smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c(OC)c1 ZINC000019359678 202005627 /nfs/dbraw/zinc/00/56/27/202005627.db2.gz GYEMFVMJQAHSIM-AOIWGVFYSA-N 1 0 342.483 3.034 40 0 EGABRO CCC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019499271 202008244 /nfs/dbraw/zinc/00/82/44/202008244.db2.gz ILVYYKLIYYCHFQ-RDJZCZTQSA-N 1 0 344.484 3.018 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019554923 202011799 /nfs/dbraw/zinc/01/17/99/202011799.db2.gz DIPGXDIVUVFCST-INIZCTEOSA-N 1 0 336.395 3.130 40 0 EGABRO CSc1ncc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cn1 ZINC000019574144 202012532 /nfs/dbraw/zinc/01/25/32/202012532.db2.gz HXPCBWFKNIJIMQ-HNNXBMFYSA-N 1 0 339.468 3.454 40 0 EGABRO C[N@H+](CCc1ccccn1)Cc1c2cccnc2[nH]c1[C@H]1CCCO1 ZINC000019586256 202013643 /nfs/dbraw/zinc/01/36/43/202013643.db2.gz SJMGRIDCMXNAMA-GOSISDBHSA-N 1 0 336.439 3.484 40 0 EGABRO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1cn(C)c2ccc(F)cc12 ZINC000019749146 202019355 /nfs/dbraw/zinc/01/93/55/202019355.db2.gz XGVWBVCNEGTPHX-QGZVFWFLSA-N 1 0 331.435 3.198 40 0 EGABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000020110886 202032878 /nfs/dbraw/zinc/03/28/78/202032878.db2.gz RVHIIHCPEHVJKA-IBGZPJMESA-N 1 0 332.488 3.453 40 0 EGABRO OCCNCC[NH2+][C@H](Cc1ccccc1)c1cccc2ccccc21 ZINC000022877087 202093747 /nfs/dbraw/zinc/09/37/47/202093747.db2.gz FTZCAWPQOLUZRV-JOCHJYFZSA-N 1 0 334.463 3.295 40 0 EGABRO C[NH+](C)CCOc1ccc(NC(=O)Nc2cccnc2Cl)cc1 ZINC000072928785 202368820 /nfs/dbraw/zinc/36/88/20/202368820.db2.gz OATJOZMPIOOBJH-UHFFFAOYSA-N 1 0 334.807 3.319 40 0 EGABRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccccn2)CC1 ZINC000078553355 202395886 /nfs/dbraw/zinc/39/58/86/202395886.db2.gz RREDJWFVTHHMPD-MRXNPFEDSA-N 1 0 342.462 3.213 40 0 EGABRO CCC(CC)[C@@H](CNC(=O)Nc1ccc(C)cc1)[NH+]1CCOCC1 ZINC000022966294 212339884 /nfs/dbraw/zinc/33/98/84/212339884.db2.gz MOLQPEGITUNVRR-GOSISDBHSA-N 1 0 333.476 3.254 40 0 EGABRO C[N@H+](CCSc1ccc2nnc(C(F)F)n2n1)Cc1ccccc1 ZINC000193744223 240291484 /nfs/dbraw/zinc/29/14/84/240291484.db2.gz QXUQQTRKPFTBKG-UHFFFAOYSA-N 1 0 349.410 3.286 40 0 EGABRO Cc1ccc(CC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000225790400 242038572 /nfs/dbraw/zinc/03/85/72/242038572.db2.gz BKRVNJVILITTIK-UHFFFAOYSA-N 1 0 336.479 3.411 40 0 EGABRO Fc1ccc(-n2nccc2C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000242302147 243014366 /nfs/dbraw/zinc/01/43/66/243014366.db2.gz YPWXKCNYUVCXJZ-MAUKXSAKSA-N 1 0 347.459 3.156 40 0 EGABRO Cc1nn(C)c2nc([C@]3(C)CCC[N@H+](Cc4cccnc4)C3)ccc12 ZINC000257204928 244130104 /nfs/dbraw/zinc/13/01/04/244130104.db2.gz AWWZLHBDLPFOLV-HXUWFJFHSA-N 1 0 335.455 3.225 40 0 EGABRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000093360993 203185857 /nfs/dbraw/zinc/18/58/57/203185857.db2.gz ZYJPSCMWBXADAW-QGZVFWFLSA-N 1 0 339.439 3.140 40 0 EGABRO Cc1nccn1-c1cccc(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000072379070 203209968 /nfs/dbraw/zinc/20/99/68/203209968.db2.gz XNQCXJNTZJSNKU-UHFFFAOYSA-N 1 0 333.439 3.350 40 0 EGABRO c1ncc(C[N@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)s1 ZINC000257233669 244219475 /nfs/dbraw/zinc/21/94/75/244219475.db2.gz GQEGBQHHYREMKH-OALUTQOASA-N 1 0 344.480 3.483 40 0 EGABRO Cc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)n1 ZINC000257234860 244226494 /nfs/dbraw/zinc/22/64/94/244226494.db2.gz GVJTZEFCXNAJBM-PZJWPPBQSA-N 1 0 335.451 3.028 40 0 EGABRO CCOc1c(Cl)cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000072324534 203201545 /nfs/dbraw/zinc/20/15/45/203201545.db2.gz KZURJJCKLMCGII-DZGCQCFKSA-N 1 0 338.879 3.416 40 0 EGABRO C[C@@H]1C[N@@H+](Cc2c3cccnc3[nH]c2C2CCOCC2)C[C@H](C)O1 ZINC000072394989 203213055 /nfs/dbraw/zinc/21/30/55/203213055.db2.gz PEJHWGRRIHCAST-OKILXGFUSA-N 1 0 329.444 3.066 40 0 EGABRO Cn1cc([C@@H]2CN(Cc3cccnc3)C[C@H]2[NH+](C)C)c2ccccc21 ZINC000072395140 203213131 /nfs/dbraw/zinc/21/31/31/203213131.db2.gz XEYKDNCTEDXKHJ-PZJWPPBQSA-N 1 0 334.467 3.103 40 0 EGABRO Fc1ccccc1C[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392315 203213946 /nfs/dbraw/zinc/21/39/46/203213946.db2.gz IECZHCVXQFQLMG-UHFFFAOYSA-N 1 0 333.370 3.220 40 0 EGABRO Cc1[nH+]cc2cc(C)nc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n12 ZINC000257274496 244389589 /nfs/dbraw/zinc/38/95/89/244389589.db2.gz NLIIXKBMNDWMKU-CQSZACIVSA-N 1 0 330.432 3.461 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3O[C@H](COCc4cccnc4)CC[C@@H]32)cs1 ZINC000107205102 204228343 /nfs/dbraw/zinc/22/83/43/204228343.db2.gz ADMJLIXVQLDEEC-FHWLQOOXSA-N 1 0 344.480 3.482 40 0 EGABRO Cc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)n1 ZINC000107711953 204244452 /nfs/dbraw/zinc/24/44/52/204244452.db2.gz UVKUOMVUHHETHJ-PMACEKPBSA-N 1 0 330.472 3.188 40 0 EGABRO Cc1ccc(F)cc1C[NH+]1CCC2(CC(NC(=O)C3CC3)C2)CC1 ZINC000108529318 204266078 /nfs/dbraw/zinc/26/60/78/204266078.db2.gz MGACNQRLXSAUIX-UHFFFAOYSA-N 1 0 330.447 3.405 40 0 EGABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3cccnc3)C2)o1 ZINC000049170040 204369417 /nfs/dbraw/zinc/36/94/17/204369417.db2.gz KIGTTYRTKRBAMV-HNNXBMFYSA-N 1 0 336.395 3.130 40 0 biogenic,in-vitro EGABRO CC(C)[NH+](CCNC(=O)COc1ccc2ccccc2c1)C(C)C ZINC000007800588 205838165 /nfs/dbraw/zinc/83/81/65/205838165.db2.gz MJFBQDZYCNMTDU-UHFFFAOYSA-N 1 0 328.456 3.454 40 0 EGABRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000095422516 218365054 /nfs/dbraw/zinc/36/50/54/218365054.db2.gz VSVUQQDORHKRLJ-DOMZBBRYSA-N 1 0 338.377 3.368 40 0 EGABRO C[C@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]C[C@](C)(O)c1ccco1 ZINC000095423310 218366246 /nfs/dbraw/zinc/36/62/46/218366246.db2.gz GTUPUUUYLQAWML-PXAZEXFGSA-N 1 0 336.819 3.147 40 0 EGABRO CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[N@@H+](C(C)C)CC2)n1 ZINC000095447520 218391565 /nfs/dbraw/zinc/39/15/65/218391565.db2.gz ATXBGWBHYFGFNV-UHFFFAOYSA-N 1 0 342.434 3.033 40 0 EGABRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1nc2ccccc2n1C ZINC000095448862 218392876 /nfs/dbraw/zinc/39/28/76/218392876.db2.gz CYNFPYSBPXAGLL-ACJLOTCBSA-N 1 0 327.403 3.314 40 0 EGABRO CC(C)(C)NC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C(C)(C)C)on1 ZINC000012481743 207147909 /nfs/dbraw/zinc/14/79/09/207147909.db2.gz YUZIFVMGTZMEDV-KBPBESRZSA-N 1 0 335.492 3.045 40 0 biogenic,in-vitro EGABRO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2ccccc2C)CC1 ZINC000012558248 207169840 /nfs/dbraw/zinc/16/98/40/207169840.db2.gz RMPANTHNUDOJFD-UHFFFAOYSA-N 1 0 337.467 3.318 40 0 EGABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000039761542 257854920 /nfs/dbraw/zinc/85/49/20/257854920.db2.gz JPLZWMXUWRLOOO-UHFFFAOYSA-N 1 0 332.488 3.138 40 0 EGABRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCOC2)cc1 ZINC000288457628 276216164 /nfs/dbraw/zinc/21/61/64/276216164.db2.gz GDCGCTFJYQPEFK-VQIMIIECSA-N 1 0 345.487 3.039 40 0 EGABRO C[C@@]12C[C@H]3CN(C(=O)c4nccc5ccccc54)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257289870 278131980 /nfs/dbraw/zinc/13/19/80/278131980.db2.gz QANKTQMEAOPJKP-JWVYWZTKSA-N 1 0 335.451 3.370 40 0 EGABRO O=C(c1ccc2c(c1)COCO2)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000096444692 280195663 /nfs/dbraw/zinc/19/56/63/280195663.db2.gz AFMQNODIFGNTSN-SFHVURJKSA-N 1 0 344.455 3.034 40 0 EGABRO O=C(CC1=CCCCC1)N1Cc2ccnn2[C@H](C[NH+]2CCCCC2)C1 ZINC000247868303 295463307 /nfs/dbraw/zinc/46/33/07/295463307.db2.gz PMONBFPTVAELND-LJQANCHMSA-N 1 0 342.487 3.143 40 0 EGABRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc(NC(C)=O)cc2)cc1 ZINC000241634647 455268565 /nfs/dbraw/zinc/26/85/65/455268565.db2.gz PNZXJAITYWQFHQ-FQEVSTJZSA-N 1 0 341.455 3.046 40 0 EGABRO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1O ZINC000000338225 452566647 /nfs/dbraw/zinc/56/66/47/452566647.db2.gz MPYHGNAJOKCMAQ-INIZCTEOSA-N 1 0 343.423 3.190 40 0 endogenous,in-man EGABRO CCC[NH+](CCC)C[C@@H](O)CNc1cc(OC)cc2cccnc21 ZINC000001656106 452671166 /nfs/dbraw/zinc/67/11/66/452671166.db2.gz AXZNOSPAISASMF-INIZCTEOSA-N 1 0 331.460 3.138 40 0 EGABRO Clc1ccc2c(c1)[C@@H](c1ccccc1)[NH+]=C(N1CCOCC1)N2 ZINC000005775049 452901481 /nfs/dbraw/zinc/90/14/81/452901481.db2.gz CWNKKEHBCMFZEF-QGZVFWFLSA-N 1 0 327.815 3.352 40 0 EGABRO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1ccc(F)cc1 ZINC000005817215 452904085 /nfs/dbraw/zinc/90/40/85/452904085.db2.gz RQALXMBGIUBEJV-UHFFFAOYSA-N 1 0 333.403 3.274 40 0 EGABRO COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000010311195 453286300 /nfs/dbraw/zinc/28/63/00/453286300.db2.gz SRKZRQFNLPCIDJ-GOSISDBHSA-N 1 0 338.407 3.249 40 0 EGABRO COc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c1 ZINC000012134952 453344549 /nfs/dbraw/zinc/34/45/49/453344549.db2.gz ZOTLJCDTCZQNOF-PMSBKCLSSA-N 1 0 338.451 3.210 40 0 EGABRO Cc1cc2nc(C3CC[NH+](CCCc4ccccc4)CC3)cc(N)n2n1 ZINC000012121514 453345846 /nfs/dbraw/zinc/34/58/46/453345846.db2.gz XPEGIOWRAXZCSA-UHFFFAOYSA-N 1 0 349.482 3.432 40 0 EGABRO Cc1ccc([C@@]2(O)CCC[C@H]3C[N@H+](Cc4cnc(C)nc4)C[C@@H]32)cc1 ZINC000012186323 453346740 /nfs/dbraw/zinc/34/67/40/453346740.db2.gz LOEHXFLWUKAUCB-JBACZVJFSA-N 1 0 337.467 3.213 40 0 EGABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4ccsc4)C3)cc(N)n2n1 ZINC000012185899 453347557 /nfs/dbraw/zinc/34/75/57/453347557.db2.gz WYULBGNQBYDOQU-AWEZNQCLSA-N 1 0 327.457 3.061 40 0 EGABRO C=Cn1ncc(C[N@@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)c1C ZINC000012188838 453349578 /nfs/dbraw/zinc/34/95/78/453349578.db2.gz UOCOACRGKUMYSB-IBGZPJMESA-N 1 0 329.419 3.305 40 0 EGABRO C=Cn1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c1C ZINC000012345070 453356036 /nfs/dbraw/zinc/35/60/36/453356036.db2.gz UQKSNQARIQHXFV-YOFSQIOKSA-N 1 0 341.430 3.446 40 0 EGABRO COCCc1ncc(C[NH2+]C2(c3ccccc3F)CCCC2)cn1 ZINC000012328568 453357649 /nfs/dbraw/zinc/35/76/49/453357649.db2.gz LGUXXNVXIMEBIJ-UHFFFAOYSA-N 1 0 329.419 3.364 40 0 EGABRO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCC[NH+]1CCCCC1 ZINC000013708769 453482055 /nfs/dbraw/zinc/48/20/55/453482055.db2.gz BIOWZXSANBJTDA-INIZCTEOSA-N 1 0 326.440 3.209 40 0 EGABRO C[C@H](Oc1cccc2ccccc21)C(=O)NCC[NH+]1CCCCC1 ZINC000013709542 453484518 /nfs/dbraw/zinc/48/45/18/453484518.db2.gz VBIXTWSDCZDPDL-INIZCTEOSA-N 1 0 326.440 3.209 40 0 EGABRO Cc1csc2nc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)cc(=O)n12 ZINC000025440491 453773002 /nfs/dbraw/zinc/77/30/02/453773002.db2.gz DRCNYXUFZAARHI-KRWDZBQOSA-N 1 0 339.464 3.272 40 0 EGABRO COc1cccc2cc(C[NH2+]C[C@H]3CCN(CC(F)(F)F)C3)oc21 ZINC000095951273 454236662 /nfs/dbraw/zinc/23/66/62/454236662.db2.gz IUKKEXWHPDYASV-GFCCVEGCSA-N 1 0 342.361 3.415 40 0 EGABRO c1csc(C[N@@H+]2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)c1 ZINC000096045977 454268247 /nfs/dbraw/zinc/26/82/47/454268247.db2.gz KISYTDYPESSDAH-AEGPPILISA-N 1 0 331.441 3.361 40 0 EGABRO O=C(c1cccnc1)N1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC000096046661 454269482 /nfs/dbraw/zinc/26/94/82/454269482.db2.gz NORQWKUIJFYTDU-UHFFFAOYSA-N 1 0 341.480 3.271 40 0 EGABRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@H+](Cc1ccsc1)C2 ZINC000096048652 454271523 /nfs/dbraw/zinc/27/15/23/454271523.db2.gz LUBVFVJPRNIBIE-IBGZPJMESA-N 1 0 341.480 3.158 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)o1 ZINC000096048249 454271772 /nfs/dbraw/zinc/27/17/72/454271772.db2.gz PABVQIWQFIOTEN-RBUKOAKNSA-N 1 0 328.412 3.186 40 0 EGABRO Fc1ccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)cc1 ZINC000096047890 454271819 /nfs/dbraw/zinc/27/18/19/454271819.db2.gz KNRVYPCAAPOWGO-LJQANCHMSA-N 1 0 342.414 3.423 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096050724 454272219 /nfs/dbraw/zinc/27/22/19/454272219.db2.gz LHSVGRLEFAVCRZ-LJQANCHMSA-N 1 0 343.402 3.060 40 0 EGABRO Cc1nc(CN2C[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]3C2)cs1 ZINC000096053867 454272903 /nfs/dbraw/zinc/27/29/03/454272903.db2.gz KOGNKYBZULBAMP-IYBDPMFKSA-N 1 0 331.460 3.154 40 0 EGABRO Cc1ccc([C@@H](CNC(=O)c2[nH]nc3ccccc32)[NH+]2CCCC2)cc1 ZINC000060239025 454274360 /nfs/dbraw/zinc/27/43/60/454274360.db2.gz ROPSOPCTCKXNJO-LJQANCHMSA-N 1 0 348.450 3.438 40 0 EGABRO Cc1ccc(C[NH2+]C[C@H]2Cn3nnc(-c4ccsc4)c3CO2)s1 ZINC000096061047 454275932 /nfs/dbraw/zinc/27/59/32/454275932.db2.gz VQIXYKGEVPINGW-ZDUSSCGKSA-N 1 0 346.481 3.065 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)o1 ZINC000096061686 454276855 /nfs/dbraw/zinc/27/68/55/454276855.db2.gz IALCRPHUYBNZKN-RTWAWAEBSA-N 1 0 340.467 3.106 40 0 EGABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccc(F)cc1)[C@H]2C ZINC000096061979 454278966 /nfs/dbraw/zinc/27/89/66/454278966.db2.gz SSGDQXGGAPFGCC-HNNXBMFYSA-N 1 0 330.451 3.439 40 0 EGABRO Cc1nc[nH]c1CN1CCC2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000096090119 454281395 /nfs/dbraw/zinc/28/13/95/454281395.db2.gz VKLOBESQTBCJEV-UHFFFAOYSA-N 1 0 342.462 3.488 40 0 EGABRO COC[C@@H]1CC2(CO1)CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000096105808 454283932 /nfs/dbraw/zinc/28/39/32/454283932.db2.gz OZYIKXIFEWYWCA-SFHVURJKSA-N 1 0 326.440 3.252 40 0 EGABRO Fc1cccnc1O[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096107022 454284711 /nfs/dbraw/zinc/28/47/11/454284711.db2.gz GSBQVJUWYQRUKT-OAHLLOKOSA-N 1 0 332.375 3.016 40 0 EGABRO Fc1cccnc1O[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096107027 454284843 /nfs/dbraw/zinc/28/48/43/454284843.db2.gz ZOHCKPSPJFGWRO-HNNXBMFYSA-N 1 0 348.443 3.485 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)s1 ZINC000096108868 454285382 /nfs/dbraw/zinc/28/53/82/454285382.db2.gz WWOLCKFNQZFBPR-IEBWSBKVSA-N 1 0 344.480 3.117 40 0 EGABRO Fc1cccnc1O[C@H]1CO[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096107856 454285644 /nfs/dbraw/zinc/28/56/44/454285644.db2.gz AWBHUGMPHIJDDR-PBHICJAKSA-N 1 0 334.416 3.095 40 0 EGABRO O=C(c1cccnc1)N1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC000096158166 454295183 /nfs/dbraw/zinc/29/51/83/454295183.db2.gz AWRBJIGKOWJWGV-HXUWFJFHSA-N 1 0 327.472 3.200 40 0 EGABRO CN(Cc1cccnc1)[C@@H]1C[N@H+](Cc2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096185997 454299257 /nfs/dbraw/zinc/29/92/57/454299257.db2.gz NPTOZEKDICTOTD-QRVBRYPASA-N 1 0 343.496 3.007 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)o1 ZINC000096202930 454302683 /nfs/dbraw/zinc/30/26/83/454302683.db2.gz XBSJREHVLWSDBK-UHFFFAOYSA-N 1 0 328.387 3.356 40 0 EGABRO O=C(CC1CC1)N1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216460 454306816 /nfs/dbraw/zinc/30/68/16/454306816.db2.gz JBDFTOBZAFVNLU-NRFANRHFSA-N 1 0 342.483 3.180 40 0 EGABRO CCO[C@@H]1CC2(CC[NH+]([C@H]3CCOC3)CC2)c2cc(OC)ccc21 ZINC000096241879 454311294 /nfs/dbraw/zinc/31/12/94/454311294.db2.gz TZRYPHVNMHINEB-HNAYVOBHSA-N 1 0 331.456 3.299 40 0 EGABRO c1csc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3CNc2cccnc2)c1 ZINC000096250152 454312083 /nfs/dbraw/zinc/31/20/83/454312083.db2.gz XUQQWUWQNBINAV-BMGDILEWSA-N 1 0 329.469 3.235 40 0 EGABRO CC(C)[C@@H](C(=O)Nc1ccc(OCC2CCOCC2)cc1)[NH+](C)C ZINC000096413197 454330744 /nfs/dbraw/zinc/33/07/44/454330744.db2.gz URCGSMYDXIVRII-SFHVURJKSA-N 1 0 334.460 3.017 40 0 EGABRO C[NH+](C)CCn1ccc2ccc(NC(=O)CCc3ccncc3)cc21 ZINC000096418532 454334667 /nfs/dbraw/zinc/33/46/67/454334667.db2.gz FLZWNTGKGJOZRE-UHFFFAOYSA-N 1 0 336.439 3.169 40 0 EGABRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000096436555 454347600 /nfs/dbraw/zinc/34/76/00/454347600.db2.gz RPXUZUFZRYETKU-UYAOXDASSA-N 1 0 334.504 3.129 40 0 EGABRO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1NCc1cccc(F)c1F ZINC000096482846 454365240 /nfs/dbraw/zinc/36/52/40/454365240.db2.gz SDIRDSLNOHEGFH-QGZVFWFLSA-N 1 0 345.393 3.027 40 0 EGABRO CC[C@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)c1nccn1C ZINC000096491605 454368796 /nfs/dbraw/zinc/36/87/96/454368796.db2.gz IGKWSWXUISRLQX-AWEZNQCLSA-N 1 0 335.835 3.128 40 0 EGABRO C[C@@H]1CCCN(C(=O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000096492218 454370027 /nfs/dbraw/zinc/37/00/27/454370027.db2.gz POCLFSSXHASQBC-ZIFCJYIRSA-N 1 0 330.472 3.002 40 0 EGABRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000096499572 454370662 /nfs/dbraw/zinc/37/06/62/454370662.db2.gz GJFKJVILRZEUME-WFASDCNBSA-N 1 0 337.464 3.212 40 0 EGABRO Cc1cc(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)no1 ZINC000062363209 454375357 /nfs/dbraw/zinc/37/53/57/454375357.db2.gz MCNALPVLMVBSKO-IBGZPJMESA-N 1 0 341.455 3.115 40 0 EGABRO COc1cccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000097103462 454407142 /nfs/dbraw/zinc/40/71/42/454407142.db2.gz JCVKPNXTJPRGAV-INIZCTEOSA-N 1 0 329.400 3.061 40 0 EGABRO O=S1(=O)CCC[C@@H]([NH2+]CCCc2ccc(Cl)cc2Cl)C1 ZINC000097230739 454427092 /nfs/dbraw/zinc/42/70/92/454427092.db2.gz FBINPOIFPROPMW-CYBMUJFWSA-N 1 0 336.284 3.093 40 0 EGABRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)C[C@H]2C=CCC2)C1 ZINC000097372880 454434593 /nfs/dbraw/zinc/43/45/93/454434593.db2.gz NSNNDSHERLTDDG-HNNXBMFYSA-N 1 0 328.456 3.110 40 0 EGABRO Cc1nc(-c2ccccn2)sc1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000065402424 454560259 /nfs/dbraw/zinc/56/02/59/454560259.db2.gz DDTPRKJOWQQMTR-CYBMUJFWSA-N 1 0 344.484 3.118 40 0 EGABRO Cc1cnc([C@@H](NCc2cccc(C(=O)N(C)C)c2)C2CC2)s1 ZINC000185357105 455547300 /nfs/dbraw/zinc/54/73/00/455547300.db2.gz WNCHCLUOEOSNNH-INIZCTEOSA-N 1 0 329.469 3.394 40 0 EGABRO Cc1nc(COCC[C@@H]2C[N@@H+](C3CCC3)Cc3ccnn32)cs1 ZINC000248032463 455673190 /nfs/dbraw/zinc/67/31/90/455673190.db2.gz MDHQKJMENIINMX-QGZVFWFLSA-N 1 0 332.473 3.164 40 0 EGABRO COc1cccc(C(=O)NCC2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC000253405857 455839854 /nfs/dbraw/zinc/83/98/54/455839854.db2.gz TVULJVFQENUOAO-UHFFFAOYSA-N 1 0 339.439 3.045 40 0 EGABRO CC(=O)NC[C@H]1CCC[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000194439929 455842410 /nfs/dbraw/zinc/84/24/10/455842410.db2.gz GRLXNWHCTPSIDR-CQSZACIVSA-N 1 0 329.271 3.384 40 0 EGABRO COCc1nsc(NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000253432773 455848924 /nfs/dbraw/zinc/84/89/24/455848924.db2.gz NZJDMUPSEMXNJG-UHFFFAOYSA-N 1 0 338.502 3.070 40 0 EGABRO Cc1c[nH]c(-c2cc(C[C@H]3CCC[N@H+](Cc4cccnc4)C3)ncn2)n1 ZINC000257297487 455885594 /nfs/dbraw/zinc/88/55/94/455885594.db2.gz RHLCEXUOMSKBBS-MRXNPFEDSA-N 1 0 348.454 3.025 40 0 EGABRO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2CCc2ccc(F)cc2)ccn1 ZINC000257330531 455892486 /nfs/dbraw/zinc/89/24/86/455892486.db2.gz XOTQTXUVSPHHPO-HXUWFJFHSA-N 1 0 341.430 3.236 40 0 EGABRO Cc1cccnc1Nc1cc(C2CC[NH+]([C@H]3CCOC3)CC2)ccn1 ZINC000257334870 455894362 /nfs/dbraw/zinc/89/43/62/455894362.db2.gz YHSSIYRLOXQZDD-SFHVURJKSA-N 1 0 338.455 3.497 40 0 EGABRO [NH3+][C@H]1CC[C@@H](C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000195543150 455982406 /nfs/dbraw/zinc/98/24/06/455982406.db2.gz OQPXLGUGIOUNQY-OCCSQVGLSA-N 1 0 326.362 3.324 40 0 EGABRO CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000195554554 455984195 /nfs/dbraw/zinc/98/41/95/455984195.db2.gz BPVBYCUINWINEF-QWRGUYRKSA-N 1 0 349.422 3.241 40 0 EGABRO Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)c2ccccc2n1 ZINC000195557777 455984928 /nfs/dbraw/zinc/98/49/28/455984928.db2.gz ZNWDAMFYUZIYRK-LJQANCHMSA-N 1 0 339.439 3.125 40 0 EGABRO S=C(NCCC[NH+]1CCCC1)Nc1ccc(Br)cc1 ZINC000225432877 456081966 /nfs/dbraw/zinc/08/19/66/456081966.db2.gz IMWLPLCIBHYTKN-UHFFFAOYSA-N 1 0 342.306 3.221 40 0 EGABRO C[C@H](c1ccccc1)n1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000225489412 456086913 /nfs/dbraw/zinc/08/69/13/456086913.db2.gz LLAIZVQYBQOPMT-DUZACMNTSA-N 1 0 338.455 3.352 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ncccc1OC ZINC000225585244 456094914 /nfs/dbraw/zinc/09/49/14/456094914.db2.gz SLVJZSDLIZYVEG-AWEZNQCLSA-N 1 0 336.505 3.031 40 0 EGABRO CCCCC(=O)N1CCC2(C[C@@H](C[NH+]3CCC(F)(F)CC3)O2)CC1 ZINC000306139758 456566898 /nfs/dbraw/zinc/56/68/98/456566898.db2.gz TZTZBYHBXBZSRO-HNNXBMFYSA-N 1 0 344.446 3.058 40 0 EGABRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]CC1=Cc2ccccc2OC1 ZINC000390833893 457446363 /nfs/dbraw/zinc/44/63/63/457446363.db2.gz OOSWAPMAYKNULK-SFHVURJKSA-N 1 0 334.419 3.137 40 0 EGABRO O=C(c1ccccc1F)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408611514 457584286 /nfs/dbraw/zinc/58/42/86/457584286.db2.gz SSAIWROSAVTOKG-GOSISDBHSA-N 1 0 338.426 3.489 40 0 EGABRO O=C(c1ccc(F)cc1)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408610654 457584388 /nfs/dbraw/zinc/58/43/88/457584388.db2.gz QZJVULCSQAERLO-HXUWFJFHSA-N 1 0 338.426 3.489 40 0 EGABRO FC(F)(F)c1cnc(N2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000377024285 458442930 /nfs/dbraw/zinc/44/29/30/458442930.db2.gz GDRFZROFJCDZDS-UHFFFAOYSA-N 1 0 349.422 3.101 40 0 EGABRO O=C(C[C@@H]1Cn2cccc2C[N@@H+](C2CCCC2)C1)NCc1ccco1 ZINC000585099144 459822635 /nfs/dbraw/zinc/82/26/35/459822635.db2.gz POLLNTHJYWFTQE-MRXNPFEDSA-N 1 0 341.455 3.162 40 0 EGABRO c1cc2n(c1)C[C@H](CCNc1ccccn1)C[N@@H+](Cc1ccccn1)C2 ZINC000585095519 459823359 /nfs/dbraw/zinc/82/33/59/459823359.db2.gz VCCAYZFOWPTPGM-GOSISDBHSA-N 1 0 347.466 3.412 40 0 EGABRO COc1ccc(OC)c(C(=O)N2CCC[C@@]3(CC[N@@H+]3CC(C)C)C2)c1 ZINC000585101797 459823872 /nfs/dbraw/zinc/82/38/72/459823872.db2.gz HBUMAJDEKHPLGZ-HXUWFJFHSA-N 1 0 346.471 3.040 40 0 EGABRO CC[C@H](C)[N@@H+]1CCOC[C@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585103643 459824350 /nfs/dbraw/zinc/82/43/50/459824350.db2.gz DZDZEJYYNNLVES-SQGPQFPESA-N 1 0 330.472 3.097 40 0 EGABRO CC[C@@H](C)[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 ZINC000585109809 459825233 /nfs/dbraw/zinc/82/52/33/459825233.db2.gz WMLQUPNRUUOMOA-QRKUABHPSA-N 1 0 335.451 3.380 40 0 EGABRO COCC[C@@H]1CCOC12CC[NH+](Cc1cc(OC)cc(OC)c1)CC2 ZINC000585105482 459825517 /nfs/dbraw/zinc/82/55/17/459825517.db2.gz XQDCJCSATWGULM-QGZVFWFLSA-N 1 0 349.471 3.111 40 0 EGABRO CCc1nc(C)c(C[N@@H+]2CC[C@H](OC)[C@H](Cc3ccccc3)C2)[nH]1 ZINC000585279523 459832098 /nfs/dbraw/zinc/83/20/98/459832098.db2.gz ZIKDTIARMWSLSN-MJGOQNOKSA-N 1 0 327.472 3.360 40 0 EGABRO CCO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000225723190 535544067 /nfs/dbraw/zinc/54/40/67/535544067.db2.gz FVEYMZFJANHSHA-HXUWFJFHSA-N 1 0 346.471 3.305 40 0 EGABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225602617 536017442 /nfs/dbraw/zinc/01/74/42/536017442.db2.gz JRWSROCVNWZZJP-LJQANCHMSA-N 1 0 334.460 3.305 40 0 EGABRO COc1cccc(C(=O)N2CCCCC[C@@H]3[N@H+](C)CC[C@@]32C)c1OC ZINC000257254620 537080418 /nfs/dbraw/zinc/08/04/18/537080418.db2.gz KDYTTYXCQBMVME-PXNSSMCTSA-N 1 0 346.471 3.183 40 0 EGABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1 ZINC000008254544 546511106 /nfs/dbraw/zinc/51/11/06/546511106.db2.gz ROIJLBAYOOWWNP-RLFYNMQTSA-N 1 0 346.544 3.159 40 0 biogenic,in-vitro EGABRO c1cc(N2CCCC2)cn2nc([C@@H]3CCC[N@@H+](C4CCC4)C3)nc12 ZINC000306127346 547459995 /nfs/dbraw/zinc/45/99/95/547459995.db2.gz FWKQIEPVSUOWGQ-OAHLLOKOSA-N 1 0 325.460 3.061 40 0 EGABRO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+]C[C@H](c1ccccc1)O2 ZINC000203809932 574980190 /nfs/dbraw/zinc/98/01/90/574980190.db2.gz RTRGDMDCYYYUCI-MRXNPFEDSA-N 1 0 332.444 3.117 40 0 EGABRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC000028241522 1291304054 /nfs/dbraw/zinc/30/40/54/1291304054.db2.gz QUNLOCSXHOVUHH-PMACEKPBSA-N 1 0 335.451 3.181 40 0 EGABRO CC(C)C[C@H](c1nnnn1C(C)(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000019446781 202006911 /nfs/dbraw/zinc/00/69/11/202006911.db2.gz AAVRWCVQVQLUQE-QGZVFWFLSA-N 1 0 348.539 3.076 40 0 EGABRO CC(C)[NH+](CCNC(=O)c1ccccc1Br)C(C)C ZINC000019442190 202007304 /nfs/dbraw/zinc/00/73/04/202007304.db2.gz ZTDGMKIIQWZKHB-UHFFFAOYSA-N 1 0 327.266 3.298 40 0 EGABRO CC(C)n1nccc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000019454575 202008941 /nfs/dbraw/zinc/00/89/41/202008941.db2.gz FMRRKEDDBTVIHU-GOSISDBHSA-N 1 0 344.434 3.170 40 0 EGABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1OCc1ccccn1 ZINC000019575798 202013053 /nfs/dbraw/zinc/01/30/53/202013053.db2.gz PSALXLDQUOSPMJ-FXAWDEMLSA-N 1 0 337.467 3.329 40 0 EGABRO CC(C)[C@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)[NH+](C)C ZINC000023188915 202100441 /nfs/dbraw/zinc/10/04/41/202100441.db2.gz CQFYFUUMUJSXJP-INIZCTEOSA-N 1 0 347.434 3.116 40 0 EGABRO O=C(CCc1ccc(F)cc1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029839708 202191622 /nfs/dbraw/zinc/19/16/22/202191622.db2.gz ZCQAZIUZFHSHJS-UHFFFAOYSA-N 1 0 340.442 3.323 40 0 EGABRO Cc1ccc([C@H](CNC(=O)CSc2ccncc2)[NH+]2CCCC2)o1 ZINC000078393911 202389989 /nfs/dbraw/zinc/38/99/89/202389989.db2.gz RAKFPCWNCONMFJ-INIZCTEOSA-N 1 0 345.468 3.028 40 0 EGABRO CC(C)(C)OC(=O)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252487481 201183405 /nfs/dbraw/zinc/18/34/05/201183405.db2.gz YKNYBBXOYYPXBJ-ROUUACIJSA-N 1 0 330.472 3.358 40 0 EGABRO C[C@@H](NC(=O)Nc1ccccc1OCC(F)F)C1=CC[N@H+](C)CC1 ZINC000272664459 201252396 /nfs/dbraw/zinc/25/23/96/201252396.db2.gz IUUYYFGENGDCEC-GFCCVEGCSA-N 1 0 339.386 3.102 40 0 EGABRO COc1ccc(OC(F)F)c(NC(=O)C[C@H](C)C2CC[NH2+]CC2)c1 ZINC000151310890 201391108 /nfs/dbraw/zinc/39/11/08/201391108.db2.gz OJZOBCUZEZSERW-NSHDSACASA-N 1 0 342.386 3.261 40 0 EGABRO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1c(F)cccc1F ZINC000023128004 212352575 /nfs/dbraw/zinc/35/25/75/212352575.db2.gz AVHZRAOTTVCYGV-UHFFFAOYSA-N 1 0 334.366 3.200 40 0 EGABRO COCC[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000023127927 212351723 /nfs/dbraw/zinc/35/17/23/212351723.db2.gz YTAASOAEHYQKEW-UHFFFAOYSA-N 1 0 345.270 3.082 40 0 EGABRO Cc1ccc(OCC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1C ZINC000022682402 212316097 /nfs/dbraw/zinc/31/60/97/212316097.db2.gz AZZQVVWQPNKCQX-LJQANCHMSA-N 1 0 344.430 3.240 40 0 EGABRO COc1ccc(CCC(=O)NCCC[NH+]2CCCCCC2)cc1C ZINC000223170276 241608726 /nfs/dbraw/zinc/60/87/26/241608726.db2.gz CPIFHGGDGMOHSI-UHFFFAOYSA-N 1 0 332.488 3.319 40 0 EGABRO C[C@H]1CCC[N@H+](CCOc2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000225586747 241938140 /nfs/dbraw/zinc/93/81/40/241938140.db2.gz CBIBFDFGJREGDU-LBPRGKRZSA-N 1 0 330.350 3.298 40 0 EGABRO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000001470029 201509775 /nfs/dbraw/zinc/50/97/75/201509775.db2.gz NHWKTCALBUGZNS-HNNXBMFYSA-N 1 0 341.879 3.094 40 0 EGABRO C[C@H](C[NH+]1CCCCCC1)NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC000225791472 242038076 /nfs/dbraw/zinc/03/80/76/242038076.db2.gz RFKHGVNJQQAPMA-OAHLLOKOSA-N 1 0 335.492 3.285 40 0 EGABRO COc1cccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000225727062 242008370 /nfs/dbraw/zinc/00/83/70/242008370.db2.gz POXVETSLKITWQH-HUUCEWRRSA-N 1 0 335.517 3.350 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(OC)c(C)c1 ZINC000225754559 242019366 /nfs/dbraw/zinc/01/93/66/242019366.db2.gz JQUYCJMPAYLADW-SFHVURJKSA-N 1 0 332.488 3.317 40 0 EGABRO COc1ccccc1[C@H](O)C(CN1CCCCC1)C[NH+]1CCCCC1 ZINC000006485133 201682237 /nfs/dbraw/zinc/68/22/37/201682237.db2.gz MECOWGVOIJNFCT-OAQYLSRUSA-N 1 0 346.515 3.317 40 0 EGABRO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000090699896 203004351 /nfs/dbraw/zinc/00/43/51/203004351.db2.gz JLASSEGDBVRYQH-CQSZACIVSA-N 1 0 346.418 3.215 40 0 EGABRO CC[N@@H+]1CCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCOC ZINC000072370375 203209265 /nfs/dbraw/zinc/20/92/65/203209265.db2.gz FQPKOQBOFJQBQZ-CQSZACIVSA-N 1 0 346.496 3.304 40 0 EGABRO CCn1cncc1C[N@@H+]1C[C@@H]2CCC[C@](O)(c3ccc(C)cc3)[C@@H]2C1 ZINC000072340453 203202964 /nfs/dbraw/zinc/20/29/64/203202964.db2.gz NXAYDVCQUNHBFR-WMQCIHAUSA-N 1 0 339.483 3.331 40 0 EGABRO Cc1cc(CCC(=O)Nc2ncccc2C)cc([C@H]2CCC[N@H+]2C)n1 ZINC000072366966 203208311 /nfs/dbraw/zinc/20/83/11/203208311.db2.gz CJOONPBNDULMMY-GOSISDBHSA-N 1 0 338.455 3.431 40 0 EGABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072369869 203208487 /nfs/dbraw/zinc/20/84/87/203208487.db2.gz FCEIHYIEJPABSQ-MRXNPFEDSA-N 1 0 336.395 3.130 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(CNC(C)=O)c2)cc1 ZINC000257250656 244269073 /nfs/dbraw/zinc/26/90/73/244269073.db2.gz JNLJHLPONJITHU-FQEVSTJZSA-N 1 0 339.439 3.063 40 0 EGABRO c1ccc2nc(C[N@H+]3C[C@@H]4[C@H](Nc5cccnn5)CC[C@@H]4C3)ccc2c1 ZINC000257258398 244289338 /nfs/dbraw/zinc/28/93/38/244289338.db2.gz KTSAAPYPBDOWBD-IMFGXOCKSA-N 1 0 345.450 3.347 40 0 EGABRO COc1cccc(C[N@@H+]2CCC[C@H]2c2ccnc(CNC(C)=O)c2)c1 ZINC000257270047 244373267 /nfs/dbraw/zinc/37/32/67/244373267.db2.gz MSOKRFTVEMXIGY-FQEVSTJZSA-N 1 0 339.439 3.063 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)o1 ZINC000096047875 203806357 /nfs/dbraw/zinc/80/63/57/203806357.db2.gz GDBWZUOAYRHXEX-LJQANCHMSA-N 1 0 342.439 3.323 40 0 EGABRO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2ccco2)CC3)n1 ZINC000096228298 203876994 /nfs/dbraw/zinc/87/69/94/203876994.db2.gz MMDLFFDVDUVHLJ-UHFFFAOYSA-N 1 0 339.439 3.140 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)cs1 ZINC000107205046 204228709 /nfs/dbraw/zinc/22/87/09/204228709.db2.gz DNFJIWHKEWFAND-BZSNNMDCSA-N 1 0 330.453 3.344 40 0 EGABRO Cc1cccc(CN2CC3(CC2=O)CC[NH+](Cc2ccccn2)CC3)c1 ZINC000108532367 204266473 /nfs/dbraw/zinc/26/64/73/204266473.db2.gz NNCMMBPHLLULMB-UHFFFAOYSA-N 1 0 349.478 3.405 40 0 EGABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccco4)C3)o2)cc1 ZINC000049170206 204369505 /nfs/dbraw/zinc/36/95/05/204369505.db2.gz UFYUJCLHIAFSKJ-HNNXBMFYSA-N 1 0 338.411 3.385 40 0 biogenic,in-vitro EGABRO Cn1c2ccccc2nc1[C@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000049171192 204370263 /nfs/dbraw/zinc/37/02/63/204370263.db2.gz DIRCCPTZFPRNEX-HNNXBMFYSA-N 1 0 335.407 3.292 40 0 biogenic,in-vitro EGABRO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1c(F)cccc1F ZINC000264273291 246275170 /nfs/dbraw/zinc/27/51/70/246275170.db2.gz HVVZEZXTANGZNF-KBPBESRZSA-N 1 0 337.414 3.296 40 0 EGABRO Cc1cc(N2CCC([NH2+][C@H]3CCc4ccccc4C3)CC2)nc(C)n1 ZINC000095423618 218366318 /nfs/dbraw/zinc/36/63/18/218366318.db2.gz FNXJOYSBKJOHNJ-FQEVSTJZSA-N 1 0 336.483 3.209 40 0 EGABRO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@H+](Cc1ccsc1)C2 ZINC000096224317 218699843 /nfs/dbraw/zinc/69/98/43/218699843.db2.gz ASEREPJIONKQMT-LJQANCHMSA-N 1 0 341.480 3.158 40 0 EGABRO Cc1ncccc1C[N@@H+](C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000096490027 218866509 /nfs/dbraw/zinc/86/65/09/218866509.db2.gz OGELUYCUHFVOAV-UHFFFAOYSA-N 1 0 347.466 3.434 40 0 EGABRO CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222773637 285179012 /nfs/dbraw/zinc/17/90/12/285179012.db2.gz ZVSIYQKXLZOKQG-ZWKOTPCHSA-N 1 0 349.463 3.260 40 0 EGABRO Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C[NH3+])cc1 ZINC000218620529 292279704 /nfs/dbraw/zinc/27/97/04/292279704.db2.gz FVXXPXBGEWPOEA-ZACQAIPSSA-N 1 0 335.856 3.163 40 0 EGABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cccc3ncccc32)cc1 ZINC000257304183 286363456 /nfs/dbraw/zinc/36/34/56/286363456.db2.gz SKKRFSDBLXLUHX-FQEVSTJZSA-N 1 0 347.418 3.030 40 0 EGABRO C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1N(C)C ZINC000096477961 278335845 /nfs/dbraw/zinc/33/58/45/278335845.db2.gz LKZOPQAXVQNFDE-CVEARBPZSA-N 1 0 349.494 3.043 40 0 EGABRO Cc1c(C(=O)NCC[NH+]2CCC(C)CC2)oc2c1[C@@H](O)CC(C)(C)C2 ZINC000019565245 280214629 /nfs/dbraw/zinc/21/46/29/280214629.db2.gz MLUWTSDFRUDOKV-HNNXBMFYSA-N 1 0 348.487 3.056 40 0 EGABRO Cc1cc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)c2ccccc2[nH+]1 ZINC000302405965 308736954 /nfs/dbraw/zinc/73/69/54/308736954.db2.gz KREZXVSJJNNLLR-UHFFFAOYSA-N 1 0 333.439 3.470 40 0 EGABRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2C1 ZINC000333285459 308855649 /nfs/dbraw/zinc/85/56/49/308855649.db2.gz IHPVSMSGNGLXSN-PBHICJAKSA-N 1 0 342.468 3.328 40 0 EGABRO O=C(CCc1cncc(F)c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000097102290 323214633 /nfs/dbraw/zinc/21/46/33/323214633.db2.gz LYHLFOMCWQWRNA-GOSISDBHSA-N 1 0 339.414 3.165 40 0 EGABRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000097230913 323215265 /nfs/dbraw/zinc/21/52/65/323215265.db2.gz OAJOQUIFTPQXQU-MRXNPFEDSA-N 1 0 349.906 3.240 40 0 EGABRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccoc1C1CC1 ZINC000241170995 455266246 /nfs/dbraw/zinc/26/62/46/455266246.db2.gz KDJZVIGYJRSXAQ-KSSFIOAISA-N 1 0 339.439 3.192 40 0 EGABRO CC[NH+](CC)CCNc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000001576834 452670503 /nfs/dbraw/zinc/67/05/03/452670503.db2.gz VXESXRYAORMYTA-UHFFFAOYSA-N 1 0 344.850 3.223 40 0 EGABRO CCCC/C=C/[C@@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000005781988 452902352 /nfs/dbraw/zinc/90/23/52/452902352.db2.gz JKPUZMZDECKYBD-RLZVKSRLSA-N 1 0 343.467 3.258 40 0 EGABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000008337071 453194510 /nfs/dbraw/zinc/19/45/10/453194510.db2.gz FUNZQXLZHDFWSY-GOSISDBHSA-N 1 0 329.440 3.443 40 0 EGABRO CC1CC[NH+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)CC1 ZINC000012240085 453352606 /nfs/dbraw/zinc/35/26/06/453352606.db2.gz DILPZUJYXJCNBA-FQEVSTJZSA-N 1 0 342.483 3.141 40 0 EGABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccccc1 ZINC000012293299 453353619 /nfs/dbraw/zinc/35/36/19/453353619.db2.gz LCAKEVQNPLJYRL-OALUTQOASA-N 1 0 339.435 3.071 40 0 EGABRO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CCC[C@@H](C)C3)ccc21 ZINC000012291370 453354420 /nfs/dbraw/zinc/35/44/20/453354420.db2.gz OPSKSEGKNBSNDR-UZLBHIALSA-N 1 0 344.499 3.387 40 0 EGABRO C[N@@H+]1CCc2cc(Br)c(O)cc2[C@@H](c2ccc(N)cc2)C1 ZINC000013446577 453465328 /nfs/dbraw/zinc/46/53/28/453465328.db2.gz JJKVHQGSRGJOOG-OAHLLOKOSA-N 1 0 347.256 3.357 40 0 EGABRO Cc1nccn1CC1(O)CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000019287989 453655073 /nfs/dbraw/zinc/65/50/73/453655073.db2.gz SYDZERDELLDMTO-UHFFFAOYSA-N 1 0 343.471 3.006 40 0 EGABRO COc1cc(C[N@H+](C)C[C@@H](O)c2ccccc2)ccc1OC(F)F ZINC000025702280 453782926 /nfs/dbraw/zinc/78/29/26/453782926.db2.gz XEZVHACTMHITCR-OAHLLOKOSA-N 1 0 337.366 3.462 40 0 EGABRO O=C(C1CC[NH+](Cc2ccc[nH]2)CC1)N(Cc1ccccc1)C1CC1 ZINC000190684872 455366106 /nfs/dbraw/zinc/36/61/06/455366106.db2.gz WENZFGPFPREVLD-UHFFFAOYSA-N 1 0 337.467 3.418 40 0 EGABRO O=C(COc1ccc(-c2ccccc2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000028233481 453822758 /nfs/dbraw/zinc/82/27/58/453822758.db2.gz JXXOAVBUUJIRHP-LJQANCHMSA-N 1 0 336.435 3.039 40 0 EGABRO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102855 453962751 /nfs/dbraw/zinc/96/27/51/453962751.db2.gz ATSXHLWICJVRTQ-BEFAXECRSA-N 1 0 330.472 3.267 40 0 EGABRO CCOc1cc2c(cc1OCC)CN(CC[C@H]1CCCC[NH2+]1)CC2 ZINC000095097531 454196339 /nfs/dbraw/zinc/19/63/39/454196339.db2.gz CQMUZOFNVIFTHH-GOSISDBHSA-N 1 0 332.488 3.374 40 0 EGABRO O=C(NCc1cccnc1)C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000095459730 454216636 /nfs/dbraw/zinc/21/66/36/454216636.db2.gz WLVJDARETNNKGR-UHFFFAOYSA-N 1 0 346.434 3.163 40 0 EGABRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2(C)CCOCC2)C1 ZINC000131361955 454248073 /nfs/dbraw/zinc/24/80/73/454248073.db2.gz AUTXKEZBAZITOS-CABCVRRESA-N 1 0 326.481 3.229 40 0 EGABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000096039141 454265537 /nfs/dbraw/zinc/26/55/37/454265537.db2.gz CIKOGMGUTKCFOG-WOJBJXKFSA-N 1 0 326.440 3.252 40 0 EGABRO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](COCC3CC3)C2)s1 ZINC000096044197 454268481 /nfs/dbraw/zinc/26/84/81/454268481.db2.gz RHLBQDVUDYWEIC-MRXNPFEDSA-N 1 0 331.485 3.312 40 0 EGABRO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccccn1)CC2 ZINC000096051590 454272758 /nfs/dbraw/zinc/27/27/58/454272758.db2.gz SSKOPQGXDIYBBZ-GOSISDBHSA-N 1 0 339.439 3.191 40 0 EGABRO CC[C@@H]1[N@H+](Cc2ccsc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052435 454272874 /nfs/dbraw/zinc/27/28/74/454272874.db2.gz JBFOSICVZPLISV-WMZOPIPTSA-N 1 0 336.501 3.130 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)s1 ZINC000096058082 454274237 /nfs/dbraw/zinc/27/42/37/454274237.db2.gz HAPFYSLCMVTPIO-BZSNNMDCSA-N 1 0 330.453 3.262 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)s1 ZINC000096054186 454275100 /nfs/dbraw/zinc/27/51/00/454275100.db2.gz SSUQFGWNRSOTPN-ZBFHGGJFSA-N 1 0 330.453 3.386 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)cc1 ZINC000096057003 454275209 /nfs/dbraw/zinc/27/52/09/454275209.db2.gz BSSPCZNYZFNVOZ-NHCUHLMSSA-N 1 0 345.483 3.493 40 0 EGABRO Cc1ccc(C[NH2+]C[C@H]2Cn3nnc(-c4ccccc4)c3CO2)s1 ZINC000096061083 454276884 /nfs/dbraw/zinc/27/68/84/454276884.db2.gz NARKWVFMKONBLD-HNNXBMFYSA-N 1 0 340.452 3.004 40 0 EGABRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccccc3F)cc2)CC1 ZINC000078578750 454279433 /nfs/dbraw/zinc/27/94/33/454279433.db2.gz JUVKXFUGNCBICI-UHFFFAOYSA-N 1 0 342.414 3.229 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC000096077397 454280369 /nfs/dbraw/zinc/28/03/69/454280369.db2.gz ARYFIXFPDLVYBQ-HXUWFJFHSA-N 1 0 339.439 3.229 40 0 EGABRO Cc1ccsc1C[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096107757 454285575 /nfs/dbraw/zinc/28/55/75/454285575.db2.gz SUMYWSDMHSVCDH-AEFFLSMTSA-N 1 0 330.453 3.264 40 0 EGABRO Cn1cnc2c1cc(C1CC[NH+](CC3CC3)CC1)nc2N1CCCC1 ZINC000096155576 454294365 /nfs/dbraw/zinc/29/43/65/454294365.db2.gz ZIRKUHRPDUIHAF-UHFFFAOYSA-N 1 0 339.487 3.158 40 0 EGABRO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccsc2)n1 ZINC000096186526 454300358 /nfs/dbraw/zinc/30/03/58/454300358.db2.gz SNCOQKILUQRCML-QZTJIDSGSA-N 1 0 341.480 3.217 40 0 EGABRO Cc1cccc(C[NH+]2CCC3(CN(Cc4cccnc4)C3=O)CC2)c1 ZINC000096202883 454303036 /nfs/dbraw/zinc/30/30/36/454303036.db2.gz MIDCRFWBVRYRJM-UHFFFAOYSA-N 1 0 335.451 3.015 40 0 EGABRO CCOC[C@@H]1CCC2(CCN(C(=O)c3ccc(C)s3)CC2)[N@@H+]1C ZINC000096207228 454304140 /nfs/dbraw/zinc/30/41/40/454304140.db2.gz KWVTZLVIPTVART-HNNXBMFYSA-N 1 0 336.501 3.162 40 0 EGABRO C[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(=O)C1=CCCCC1)CC2 ZINC000096209454 454305377 /nfs/dbraw/zinc/30/53/77/454305377.db2.gz LBRBQRAQCJQHPM-IBGZPJMESA-N 1 0 346.515 3.226 40 0 EGABRO Cc1ccc(CN2CCO[C@H]3C[N@H+](Cc4cc(C)cc(C)c4)C[C@H]32)o1 ZINC000096248791 454311510 /nfs/dbraw/zinc/31/15/10/454311510.db2.gz CRUYJIFDJCMDEH-RTWAWAEBSA-N 1 0 340.467 3.290 40 0 EGABRO O=C(NCC1CC1)C1=CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096241605 454311722 /nfs/dbraw/zinc/31/17/22/454311722.db2.gz XAUZOXLUMIGQIE-UHFFFAOYSA-N 1 0 336.479 3.353 40 0 EGABRO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](C)C1)c1ccc(Br)s1 ZINC000096430903 454342126 /nfs/dbraw/zinc/34/21/26/454342126.db2.gz PISPJYXFQMROOO-QWRGUYRKSA-N 1 0 345.306 3.024 40 0 EGABRO CCC[NH+]1CCC(NC(=O)Nc2cccc(-c3nccn3C)c2)CC1 ZINC000096434641 454346359 /nfs/dbraw/zinc/34/63/59/454346359.db2.gz RGDVVZIWESJGBI-UHFFFAOYSA-N 1 0 341.459 3.083 40 0 EGABRO C[NH+](C)CCSc1ccc(NC(=O)c2ncncc2Cl)cc1 ZINC000096455660 454358307 /nfs/dbraw/zinc/35/83/07/454358307.db2.gz PAAVZYLUHBCBNK-UHFFFAOYSA-N 1 0 336.848 3.036 40 0 EGABRO CCc1cnc([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)s1 ZINC000096479068 454364261 /nfs/dbraw/zinc/36/42/61/454364261.db2.gz XCQSYRQEIXMOCO-AWEZNQCLSA-N 1 0 330.501 3.416 40 0 EGABRO COc1ccccc1CC[N@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000079090653 454366844 /nfs/dbraw/zinc/36/68/44/454366844.db2.gz IKMAQZLWORQPNO-AWEZNQCLSA-N 1 0 338.411 3.376 40 0 EGABRO COc1ccc([C@@H](C)[NH2+]C2CCC(O)CC2)c(Br)c1 ZINC000096493331 454369478 /nfs/dbraw/zinc/36/94/78/454369478.db2.gz BXVYCIZDXIMEEE-VOMCLLRMSA-N 1 0 328.250 3.412 40 0 EGABRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000096499569 454370633 /nfs/dbraw/zinc/37/06/33/454370633.db2.gz GJFKJVILRZEUME-IUODEOHRSA-N 1 0 337.464 3.212 40 0 EGABRO OC[C@@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000096497154 454371236 /nfs/dbraw/zinc/37/12/36/454371236.db2.gz FYTOSRYLOGUUKG-GFCCVEGCSA-N 1 0 335.245 3.202 40 0 EGABRO COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000096499688 454372059 /nfs/dbraw/zinc/37/20/59/454372059.db2.gz QNVQELPUXOIYMT-JZXOWHBKSA-N 1 0 345.487 3.190 40 0 EGABRO Cc1ccc([C@H](CNC(=O)NCc2cc(C(C)C)no2)[NH+](C)C)cc1 ZINC000079349523 454401444 /nfs/dbraw/zinc/40/14/44/454401444.db2.gz NFZAIXLGRUABMB-SFHVURJKSA-N 1 0 344.459 3.209 40 0 EGABRO CC(C)(C)OC(=O)N1CCC2(C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000091302802 454422697 /nfs/dbraw/zinc/42/26/97/454422697.db2.gz MGDREBKYHGSSGI-KRWDZBQOSA-N 1 0 346.471 3.023 40 0 EGABRO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000137324641 454776270 /nfs/dbraw/zinc/77/62/70/454776270.db2.gz FTUMFSBCSXAMAD-CQSZACIVSA-N 1 0 334.508 3.244 40 0 EGABRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(Br)cc1F ZINC000125573692 454833251 /nfs/dbraw/zinc/83/32/51/454833251.db2.gz IEVRQFVZJFWGRP-NSHDSACASA-N 1 0 343.240 3.251 40 0 EGABRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000127759478 454994713 /nfs/dbraw/zinc/99/47/13/454994713.db2.gz RRLTVFNIJTWRHW-ZYHUDNBSSA-N 1 0 343.240 3.250 40 0 EGABRO COC1(C[NH2+][C@@H](C)c2ccc(Br)cc2F)CCOCC1 ZINC000128141911 455029490 /nfs/dbraw/zinc/02/94/90/455029490.db2.gz RDUKWGXUJHMXPZ-NSHDSACASA-N 1 0 346.240 3.434 40 0 EGABRO COc1ccc(COC[C@H](O)C[N@@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000245237332 455280765 /nfs/dbraw/zinc/28/07/65/455280765.db2.gz JTPCBFNAABBCTR-GDBMZVCRSA-N 1 0 347.480 3.254 40 0 EGABRO C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(C(=O)C1CCCCC1)CC2 ZINC000247965666 455661438 /nfs/dbraw/zinc/66/14/38/455661438.db2.gz ICVCSJHVTNDVIH-IBGZPJMESA-N 1 0 348.531 3.164 40 0 EGABRO Cc1nc(COC[C@@H]2C[N@@H+](C3CCCC3)Cc3cncn32)cs1 ZINC000248019197 455670514 /nfs/dbraw/zinc/67/05/14/455670514.db2.gz IMLUVXACNQAGEH-KRWDZBQOSA-N 1 0 332.473 3.164 40 0 EGABRO CC[N@H+](C)Cc1cccc(CNC(=O)NCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000252537484 455821766 /nfs/dbraw/zinc/82/17/66/455821766.db2.gz LIWIJINDHCTMOK-HOTGVXAUSA-N 1 0 347.503 3.141 40 0 EGABRO O=c1cc([C@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)nc(-c2ccccn2)[nH]1 ZINC000253614855 455855865 /nfs/dbraw/zinc/85/58/65/455855865.db2.gz KWSCHPBLUXFIHA-CVEARBPZSA-N 1 0 336.439 3.390 40 0 EGABRO COc1cccc(F)c1CN1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257285331 455882337 /nfs/dbraw/zinc/88/23/37/455882337.db2.gz PGQSWYDQNPICKD-QGZVFWFLSA-N 1 0 344.434 3.023 40 0 EGABRO CNc1cc([C@H]2CCCN2C(=O)CCCn2nc(C)cc2C)ccn1 ZINC000257292051 455883804 /nfs/dbraw/zinc/88/38/04/455883804.db2.gz QJTBYIBQIKBITP-QGZVFWFLSA-N 1 0 341.459 3.081 40 0 EGABRO O=C(Cc1ccncc1)N1[C@H](c2ccccc2)C[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257290000 455883817 /nfs/dbraw/zinc/88/38/17/455883817.db2.gz QBAZULUPNAWPRL-AABGKKOBSA-N 1 0 335.451 3.108 40 0 EGABRO CC[C@H](NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000195543318 455982172 /nfs/dbraw/zinc/98/21/72/455982172.db2.gz GTZOLZPVVSAUGA-UAGQMJEPSA-N 1 0 346.471 3.051 40 0 EGABRO O=C(CC1CC[NH2+]CC1)NCCc1ccc(OC2CCCC2)cc1 ZINC000195543386 455982267 /nfs/dbraw/zinc/98/22/67/455982267.db2.gz FCHSJJJHWKEXGM-UHFFFAOYSA-N 1 0 330.472 3.056 40 0 EGABRO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCCCC1 ZINC000223213496 456055367 /nfs/dbraw/zinc/05/53/67/456055367.db2.gz KZCULQDRJICIEI-QGZVFWFLSA-N 1 0 344.499 3.325 40 0 EGABRO c1coc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306137405 456567927 /nfs/dbraw/zinc/56/79/27/456567927.db2.gz QVMQMPHQBCNCAV-QGZVFWFLSA-N 1 0 345.406 3.374 40 0 EGABRO c1nc2n(c1-c1ccccc1)C[C@H]1C[N@@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306134844 456568059 /nfs/dbraw/zinc/56/80/59/456568059.db2.gz NZLKKQREBNZUGH-RTBURBONSA-N 1 0 330.435 3.249 40 0 EGABRO FC(F)(F)C1CC[NH+](C2CC(Nc3ncnc4[nH]ccc43)C2)CC1 ZINC000376013132 458162591 /nfs/dbraw/zinc/16/25/91/458162591.db2.gz GXOHFELROXFKEP-UHFFFAOYSA-N 1 0 339.365 3.175 40 0 EGABRO C[N@@H+]1CCC[C@@]12CCCN(C(=O)COc1cccc(Cl)c1)CC2 ZINC000585100206 459822754 /nfs/dbraw/zinc/82/27/54/459822754.db2.gz HMUHYZJZFNXOTP-SFHVURJKSA-N 1 0 336.863 3.196 40 0 EGABRO CNC(=O)C[C@H]1Cn2cccc2CN(Cc2ccc(Cl)c(F)c2)C1 ZINC000585099010 459823390 /nfs/dbraw/zinc/82/33/90/459823390.db2.gz AUSSZAQEOLBLMC-CQSZACIVSA-N 1 0 349.837 3.049 40 0 EGABRO CN1CC[C@H](COc2ccccn2)CC12C[NH+](CC1CCCC1)C2 ZINC000585103489 459824404 /nfs/dbraw/zinc/82/44/04/459824404.db2.gz XHXBBTNTTXRYKH-SFHVURJKSA-N 1 0 329.488 3.047 40 0 EGABRO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](CC(C)C)C[C@@H]32)no1 ZINC000585109621 459825184 /nfs/dbraw/zinc/82/51/84/459825184.db2.gz FQXUOXNZPOZXJQ-JENIJYKNSA-N 1 0 339.439 3.139 40 0 EGABRO Clc1ccc2ncc(-c3cncc(CC[C@H]4CCC[NH2+]4)n3)n2c1 ZINC000585262846 459831312 /nfs/dbraw/zinc/83/13/12/459831312.db2.gz ANSDMERWVVSCHK-CYBMUJFWSA-N 1 0 327.819 3.129 40 0 EGABRO Fc1ccc(-c2cc(Nc3cc(C4CC[NH2+]CC4)ccn3)n[nH]2)cc1 ZINC000585262754 459831598 /nfs/dbraw/zinc/83/15/98/459831598.db2.gz CCVPXRZCDFMPKA-UHFFFAOYSA-N 1 0 337.402 3.243 40 0 EGABRO CSc1cccc(N(C(=O)C[C@H]2CCCO2)C2CC[NH+](C)CC2)c1 ZINC000171999566 526103153 /nfs/dbraw/zinc/10/31/53/526103153.db2.gz DQWOURWEJGRTKP-QGZVFWFLSA-N 1 0 348.512 3.405 40 0 EGABRO C[NH+](C)CCCN(C[C@@H]1CCOC(C)(C)C1)C(=O)c1cccs1 ZINC000027579198 1291290637 /nfs/dbraw/zinc/29/06/37/1291290637.db2.gz YQBSXYZQCCPIQC-OAHLLOKOSA-N 1 0 338.517 3.347 40 0 EGABRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Cl)c3occc32)cn1 ZINC000931345059 1329098631 /nfs/dbraw/zinc/09/86/31/1329098631.db2.gz ITWFXZVNAPHSPS-UHFFFAOYSA-N 1 0 332.791 3.097 40 0 EGABRO Fc1ccc(C[NH+]2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 ZINC000019333920 202004554 /nfs/dbraw/zinc/00/45/54/202004554.db2.gz AOODLBBUSAKVNB-UHFFFAOYSA-N 1 0 339.374 3.045 40 0 EGABRO O=c1cc(-c2ccccn2)nc([C@H]2CCC[N@@H+]2C[C@H]2CC=CCC2)[nH]1 ZINC000019402502 202007426 /nfs/dbraw/zinc/00/74/26/202007426.db2.gz NIUJZZGJGGKOQR-MAUKXSAKSA-N 1 0 336.439 3.325 40 0 EGABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccc(O)c1)Cc1ccccn1 ZINC000019527138 202010102 /nfs/dbraw/zinc/01/01/02/202010102.db2.gz WVXJNUTXIMZSQV-IBGZPJMESA-N 1 0 325.456 3.274 40 0 EGABRO CC[NH+](CC)C[C@@H]1CCCN(C(=O)Cn2ccc3ccc(F)cc32)C1 ZINC000019526349 202010396 /nfs/dbraw/zinc/01/03/96/202010396.db2.gz XUGUWIFUVHNNRE-INIZCTEOSA-N 1 0 345.462 3.361 40 0 EGABRO CSCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C)c(O)c(C)c1 ZINC000019570046 202011188 /nfs/dbraw/zinc/01/11/88/202011188.db2.gz BMUAWSUDXDFHGB-ROUUACIJSA-N 1 0 334.529 3.411 40 0 EGABRO COc1ccc(F)c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CCSC)c1 ZINC000019551685 202011741 /nfs/dbraw/zinc/01/17/41/202011741.db2.gz WMSGUDCYXJKLHL-HOTGVXAUSA-N 1 0 338.492 3.236 40 0 EGABRO C[NH+](C)C1(CNC(=O)c2cc3ccccc3oc2=O)CCCCCC1 ZINC000025443469 202131525 /nfs/dbraw/zinc/13/15/25/202131525.db2.gz MVNTTWRLPYSFGS-UHFFFAOYSA-N 1 0 342.439 3.177 40 0 EGABRO C[C@@H](CNC(=O)c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000040108047 202168922 /nfs/dbraw/zinc/16/89/22/202168922.db2.gz LLAZDTFCIPMRPW-OLZOCXBDSA-N 1 0 339.277 3.299 40 0 EGABRO CCc1ccccc1O[C@H](C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000030866211 202200087 /nfs/dbraw/zinc/20/00/87/202200087.db2.gz VASPMUPOLHUTJS-QGZVFWFLSA-N 1 0 332.488 3.399 40 0 EGABRO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cnn(C)c2)s1 ZINC000036740407 202330400 /nfs/dbraw/zinc/33/04/00/202330400.db2.gz WBOUSMZQVVKHQQ-UHFFFAOYSA-N 1 0 329.473 3.079 40 0 EGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000079420641 202435528 /nfs/dbraw/zinc/43/55/28/202435528.db2.gz DTVZBHOUVZDGGW-AWEZNQCLSA-N 1 0 327.266 3.169 40 0 EGABRO COc1cc(NC2CC[NH+](CC3CCOCC3)CC2)cc(OC)c1 ZINC000085868548 202630343 /nfs/dbraw/zinc/63/03/43/202630343.db2.gz QPZSKOYVVMNRKC-UHFFFAOYSA-N 1 0 334.460 3.007 40 0 EGABRO O=C(Cc1cccs1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023014700 212343073 /nfs/dbraw/zinc/34/30/73/212343073.db2.gz OZGTVWVTSBKDQE-UHFFFAOYSA-N 1 0 328.481 3.319 40 0 EGABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccc3c(c2)OCO3)C1 ZINC000225727872 242008733 /nfs/dbraw/zinc/00/87/33/242008733.db2.gz BMVVCMCAWLIHMB-KBPBESRZSA-N 1 0 349.500 3.070 40 0 EGABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(F)c(F)c2)C1 ZINC000225736892 242012397 /nfs/dbraw/zinc/01/23/97/242012397.db2.gz UPNANXRQXSWBAL-LBPRGKRZSA-N 1 0 327.444 3.373 40 0 EGABRO COc1cccc([C@H](O)C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)c1 ZINC000237325097 242586939 /nfs/dbraw/zinc/58/69/39/242586939.db2.gz WNNHKXNBSFCIKN-GOSISDBHSA-N 1 0 327.424 3.232 40 0 EGABRO CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)c1 ZINC000257219536 244176613 /nfs/dbraw/zinc/17/66/13/244176613.db2.gz DHDAWPGJVPJIGD-SGQUHAKNSA-N 1 0 337.423 3.045 40 0 EGABRO C[C@]12C[C@@H](c3ccccc3)[N@H+](Cc3cccnc3)[C@H]1CCCC(=O)N2 ZINC000257210720 244150575 /nfs/dbraw/zinc/15/05/75/244150575.db2.gz BVVVXYJWUOHUFX-ZJOUEHCJSA-N 1 0 335.451 3.456 40 0 EGABRO Cc1nn(C)c2nc([C@]3(C)CCC[N@H+](Cc4ccccn4)C3)ccc12 ZINC000257211908 244153933 /nfs/dbraw/zinc/15/39/33/244153933.db2.gz CAZYASNACIGGGL-HXUWFJFHSA-N 1 0 335.455 3.225 40 0 EGABRO Cc1nc([C@@]2(C)CCCN(Cc3cscn3)C2)cc2c[nH+]cn21 ZINC000257222355 244188510 /nfs/dbraw/zinc/18/85/10/244188510.db2.gz DSYXUHKAVUQWNF-KRWDZBQOSA-N 1 0 327.457 3.048 40 0 EGABRO Cc1ncccc1Oc1cncc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072384254 203210769 /nfs/dbraw/zinc/21/07/69/203210769.db2.gz DBINZHSLNFJLJU-QGZVFWFLSA-N 1 0 340.427 3.288 40 0 EGABRO COc1ccc(C[N@@H+]2CCOC[C@@H](Cc3cccc(C)n3)C2)cc1 ZINC000072388192 203211573 /nfs/dbraw/zinc/21/15/73/203211573.db2.gz ASYYJQICAANLQD-SFHVURJKSA-N 1 0 326.440 3.090 40 0 EGABRO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072355513 203205116 /nfs/dbraw/zinc/20/51/16/203205116.db2.gz MRIIMLWERGELSV-HNNXBMFYSA-N 1 0 325.460 3.347 40 0 EGABRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)c1 ZINC000257270048 244373222 /nfs/dbraw/zinc/37/32/22/244373222.db2.gz MSOKRFTVEMXIGY-HXUWFJFHSA-N 1 0 339.439 3.063 40 0 EGABRO CNc1cc([C@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)ccn1 ZINC000257271718 244380497 /nfs/dbraw/zinc/38/04/97/244380497.db2.gz MZMINOBYWSEOOP-GOSISDBHSA-N 1 0 338.455 3.162 40 0 EGABRO O=C(c1ccccn1)N1CCC2(C=C[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000096240265 203880328 /nfs/dbraw/zinc/88/03/28/203880328.db2.gz CUDAKYBFZVDCHR-QGZVFWFLSA-N 1 0 325.456 3.118 40 0 EGABRO c1oc(-c2ccccc2)nc1CN1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000096476919 203891781 /nfs/dbraw/zinc/89/17/81/203891781.db2.gz DXLXKPMFCNDUKC-QGZVFWFLSA-N 1 0 343.496 3.401 40 0 EGABRO COc1ccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4ccc(C)o4)C3)C2)cc1 ZINC000107728469 204245564 /nfs/dbraw/zinc/24/55/64/204245564.db2.gz RYDSDZICONIUEZ-XLIONFOSSA-N 1 0 342.439 3.442 40 0 EGABRO CC1CC[NH+](CCNC(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000047905181 204339443 /nfs/dbraw/zinc/33/94/43/204339443.db2.gz WAIFNBVPBSGLLQ-UHFFFAOYSA-N 1 0 327.375 3.141 40 0 EGABRO C[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccc([S@](C)=O)cc1 ZINC000110687319 204320804 /nfs/dbraw/zinc/32/08/04/204320804.db2.gz BJURMEUUUOGMOP-IJHUGTEESA-N 1 0 343.492 3.299 40 0 EGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(OC(F)F)cc2)C1 ZINC000048326106 204345115 /nfs/dbraw/zinc/34/51/15/204345115.db2.gz UMLPTEMGZMHTSD-OKILXGFUSA-N 1 0 340.414 3.386 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@H](c1ccccc1)[C@@H](O)C1=CCCC1 ZINC000001593588 284635995 /nfs/dbraw/zinc/63/59/95/284635995.db2.gz QEDNEDZUHNKWMR-MOPGFXCFSA-N 1 0 331.456 3.126 40 0 EGABRO Cc1nnc2ccc(NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)nn12 ZINC000096407649 218759142 /nfs/dbraw/zinc/75/91/42/218759142.db2.gz WYAHTPRFQSRLQL-AWEZNQCLSA-N 1 0 336.443 3.070 40 0 EGABRO CC(C)[NH+]1CCC(N(C)C(=O)C[C@@](O)(c2ccccc2)C2CC2)CC1 ZINC000096485320 218861236 /nfs/dbraw/zinc/86/12/36/218861236.db2.gz HHXLVQINVBCGLX-OAQYLSRUSA-N 1 0 344.499 3.006 40 0 EGABRO c1cc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)co1 ZINC000306140511 257923860 /nfs/dbraw/zinc/92/38/60/257923860.db2.gz UVXAXFZRNSPOCV-SFHVURJKSA-N 1 0 345.406 3.374 40 0 EGABRO C[NH+]1CCN(c2ccccc2NC(=O)CCc2ccc(F)cc2)CC1 ZINC000039978265 132398071 /nfs/dbraw/zinc/39/80/71/132398071.db2.gz ATICNAAMCAZFKM-UHFFFAOYSA-N 1 0 341.430 3.149 40 0 EGABRO Cc1cc2[nH]c(CC(=O)N[C@H](C)C[NH+]3CCCCCC3)nc2c(C)c1 ZINC000019568369 292022800 /nfs/dbraw/zinc/02/28/00/292022800.db2.gz ORJHIEMZPQDNFA-MRXNPFEDSA-N 1 0 342.487 3.103 40 0 EGABRO Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc(C)cc3c[nH+]cn32)n1 ZINC000257257966 292414815 /nfs/dbraw/zinc/41/48/15/292414815.db2.gz KRUVRVZGYZFBGB-QGZVFWFLSA-N 1 0 335.411 3.109 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@@H](c1ccccc1)[C@H](O)C1CCCC1 ZINC000001593590 276099722 /nfs/dbraw/zinc/09/97/22/276099722.db2.gz ZMMPWOWHQKYBOW-RBUKOAKNSA-N 1 0 333.472 3.206 40 0 EGABRO C[C@H]1C[NH2+]CCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000067803029 279907364 /nfs/dbraw/zinc/90/73/64/279907364.db2.gz VGIQUKDBOQTLEC-QMMMGPOBSA-N 1 0 340.267 3.158 40 0 EGABRO Cc1csc([C@H](C)[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000195566395 323888662 /nfs/dbraw/zinc/88/86/62/323888662.db2.gz IDBWXOQZXQLZLH-YPMHNXCESA-N 1 0 343.452 3.177 40 0 EGABRO O[C@@H](C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1)c1ccccc1 ZINC000183149271 455239131 /nfs/dbraw/zinc/23/91/31/455239131.db2.gz XKIQEFSAWGGVBF-HNNXBMFYSA-N 1 0 339.361 3.272 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@H](c1ccccc1)[C@H](O)C1CCCC1 ZINC000001593591 452669714 /nfs/dbraw/zinc/66/97/14/452669714.db2.gz ZMMPWOWHQKYBOW-RTBURBONSA-N 1 0 333.472 3.206 40 0 EGABRO Cc1nn(CCC(=O)N[C@@H](C)C[NH+](C(C)C)C(C)C)c(C)c1Cl ZINC000002781463 452722771 /nfs/dbraw/zinc/72/27/71/452722771.db2.gz CHVKMSPZZYJRIZ-ZDUSSCGKSA-N 1 0 342.915 3.167 40 0 EGABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]Cc3ccc4c(c3)OCO4)cc2c1 ZINC000003848828 452786254 /nfs/dbraw/zinc/78/62/54/452786254.db2.gz IUDHKLNSELFHSF-UHFFFAOYSA-N 1 0 336.391 3.163 40 0 EGABRO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCCCCC1 ZINC000008211701 453177043 /nfs/dbraw/zinc/17/70/43/453177043.db2.gz IPUOPLNUYGLFOH-KMYSJOAASA-N 1 0 347.503 3.046 40 0 EGABRO Cc1[nH+]c(CN2CCC(O)(c3ccccc3F)CC2)c2ccccn12 ZINC000012117048 453345620 /nfs/dbraw/zinc/34/56/20/453345620.db2.gz NKSAUADYWRGMCF-UHFFFAOYSA-N 1 0 339.414 3.265 40 0 EGABRO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000012185038 453347898 /nfs/dbraw/zinc/34/78/98/453347898.db2.gz AKCUSCCYYSZZSB-UHFFFAOYSA-N 1 0 347.418 3.429 40 0 EGABRO Cc1nc(-c2ccc(C)cc2C)c(CC(=O)N(C)CC[NH+](C)C)s1 ZINC000012238220 453351857 /nfs/dbraw/zinc/35/18/57/453351857.db2.gz CJNBVYLJWFUSLU-UHFFFAOYSA-N 1 0 345.512 3.298 40 0 EGABRO O[C@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000014138619 453510912 /nfs/dbraw/zinc/51/09/12/453510912.db2.gz TVLVXPUNKAWTML-UNMCSNQZSA-N 1 0 337.463 3.500 40 0 EGABRO COc1cccc(N2CC[NH+](C[C@@H](O)c3cc(C)sc3C)CC2)c1 ZINC000019567902 453657270 /nfs/dbraw/zinc/65/72/70/453657270.db2.gz ZGMKPGYBWBRKBX-LJQANCHMSA-N 1 0 346.496 3.229 40 0 EGABRO Cc1ccccc1O[C@H](C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000020462148 453665168 /nfs/dbraw/zinc/66/51/68/453665168.db2.gz UCOFJZFXETWPBD-XYJFISCASA-N 1 0 332.488 3.247 40 0 EGABRO O[C@@H](C[NH+]1CCN(c2ccccc2)CC1)c1c[nH]c2ccc(F)cc21 ZINC000021793132 453681350 /nfs/dbraw/zinc/68/13/50/453681350.db2.gz VNMJFZVLMCFTGJ-FQEVSTJZSA-N 1 0 339.414 3.163 40 0 EGABRO CN(C)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027604519 453819392 /nfs/dbraw/zinc/81/93/92/453819392.db2.gz QUCIEMKKFAHAMS-QGZVFWFLSA-N 1 0 343.496 3.381 40 0 EGABRO C[C@@H](c1ccccn1)N1CCN(C(=O)N(C)c2ccc(F)cc2)CC1 ZINC000190865110 455393617 /nfs/dbraw/zinc/39/36/17/455393617.db2.gz WXKZIASKVPEPQW-HNNXBMFYSA-N 1 0 342.418 3.156 40 0 EGABRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cnn(C(C)(C)C)c1 ZINC000245918650 455399728 /nfs/dbraw/zinc/39/97/28/455399728.db2.gz PSWAXIAVMHAQMB-CRAIPNDOSA-N 1 0 327.476 3.356 40 0 EGABRO CCc1ccc(OC[C@H](O)C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000089286360 454133135 /nfs/dbraw/zinc/13/31/35/454133135.db2.gz ZJDDKYDYVWUXCA-GOSISDBHSA-N 1 0 338.451 3.302 40 0 EGABRO COc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)ccc1OC1CCCC1 ZINC000057811514 454147851 /nfs/dbraw/zinc/14/78/51/454147851.db2.gz HMUHTKQPTVOTGX-QGZVFWFLSA-N 1 0 332.488 3.400 40 0 EGABRO C[NH+](C)CCCN(Cc1cnn(-c2ccccc2)c1)Cc1ccco1 ZINC000057810888 454147977 /nfs/dbraw/zinc/14/79/77/454147977.db2.gz PRWGQEAMGUISSQ-UHFFFAOYSA-N 1 0 338.455 3.419 40 0 EGABRO COc1ccccc1-c1nnc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)o1 ZINC000119897685 454233061 /nfs/dbraw/zinc/23/30/61/454233061.db2.gz FHHSSTFNYLURBP-CQSZACIVSA-N 1 0 331.416 3.181 40 0 EGABRO O=C1CCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)C[N@@H+]2Cc1ccccc1 ZINC000095951722 454237171 /nfs/dbraw/zinc/23/71/71/454237171.db2.gz HYBMYOKAHFTXBI-ZVDOUQERSA-N 1 0 338.426 3.462 40 0 biogenic EGABRO Cc1ccsc1C[N@@H+]1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096041827 454266288 /nfs/dbraw/zinc/26/62/88/454266288.db2.gz JCQHFCOLHBSMOV-YQVWRLOYSA-N 1 0 344.480 3.400 40 0 EGABRO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccccc2)cs1 ZINC000096041756 454267046 /nfs/dbraw/zinc/26/70/46/454267046.db2.gz ORPHYNYBACLYLV-IPMKNSEASA-N 1 0 344.480 3.400 40 0 EGABRO Fc1ccc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cc1 ZINC000096042462 454268408 /nfs/dbraw/zinc/26/84/08/454268408.db2.gz ZRIQIERUIDHNBE-AQNXPRMDSA-N 1 0 342.414 3.169 40 0 EGABRO O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](Cc1nccs1)C2 ZINC000096048739 454271559 /nfs/dbraw/zinc/27/15/59/454271559.db2.gz TXICVYKMQDJBOH-MRXNPFEDSA-N 1 0 333.482 3.224 40 0 EGABRO O=C(c1cccs1)N1C[C@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053899 454275180 /nfs/dbraw/zinc/27/51/80/454275180.db2.gz VZOJFFWUIFFCIS-HUUCEWRRSA-N 1 0 330.428 3.091 40 0 EGABRO Fc1ccc(-c2ncnc3c2CC[N@H+](Cc2ccncc2)CC3)cc1 ZINC000096058706 454276107 /nfs/dbraw/zinc/27/61/07/454276107.db2.gz UFEQNBJEXIOXMM-UHFFFAOYSA-N 1 0 334.398 3.279 40 0 EGABRO c1coc(CN2CCOC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)c1 ZINC000096062389 454278908 /nfs/dbraw/zinc/27/89/08/454278908.db2.gz JSGOUAJZUALSDE-GOSISDBHSA-N 1 0 332.469 3.066 40 0 EGABRO Cc1ccccc1C[NH+]1CCC2(CN(C(=O)c3cscn3)C2)CC1 ZINC000096071001 454278963 /nfs/dbraw/zinc/27/89/63/454278963.db2.gz VYZOQHQMDBUNNP-UHFFFAOYSA-N 1 0 341.480 3.190 40 0 EGABRO c1cc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cs1 ZINC000096073153 454280219 /nfs/dbraw/zinc/28/02/19/454280219.db2.gz YTPTZAUTLIVSMS-SFHVURJKSA-N 1 0 344.480 3.483 40 0 EGABRO Fc1ccc(C[NH+]2CCC3(CC2)CN(c2ccccn2)CCO3)cc1 ZINC000096158988 454295594 /nfs/dbraw/zinc/29/55/94/454295594.db2.gz BOIGALFUYUAYER-UHFFFAOYSA-N 1 0 341.430 3.092 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)cs1 ZINC000096186755 454300189 /nfs/dbraw/zinc/30/01/89/454300189.db2.gz ADMJLIXVQLDEEC-QYZOEREBSA-N 1 0 344.480 3.482 40 0 EGABRO CC(C)[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000096201908 454303030 /nfs/dbraw/zinc/30/30/30/454303030.db2.gz JDICGMGOOUMHIE-RBBKRZOGSA-N 1 0 349.478 3.308 40 0 EGABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1F)C2 ZINC000096219375 454307575 /nfs/dbraw/zinc/30/75/75/454307575.db2.gz TYWHUOHLMFKQSF-QUCCMNQESA-N 1 0 332.463 3.006 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4cccnc4)CO3)C2)n1 ZINC000096222835 454309426 /nfs/dbraw/zinc/30/94/26/454309426.db2.gz IPUZESSZBBOFLB-VQTJNVASSA-N 1 0 338.455 3.021 40 0 EGABRO Cc1nc(CN2CCC3(CC2)C[N@H+](C)Cc2ccccc23)cs1 ZINC000096242373 454311255 /nfs/dbraw/zinc/31/12/55/454311255.db2.gz FOVKPVIUQQSTBC-UHFFFAOYSA-N 1 0 327.497 3.431 40 0 EGABRO CC/C=C(\C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000096406031 454324555 /nfs/dbraw/zinc/32/45/55/454324555.db2.gz POMGNADPRAIGOH-BDBSJLECSA-N 1 0 330.472 3.359 40 0 EGABRO CCn1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c(C(C)C)n1 ZINC000096418245 454334362 /nfs/dbraw/zinc/33/43/62/454334362.db2.gz HDVBPNONRJNBIU-UHFFFAOYSA-N 1 0 344.459 3.219 40 0 EGABRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)C1 ZINC000096433878 454344618 /nfs/dbraw/zinc/34/46/18/454344618.db2.gz ZHBJGYBUVWTRQX-QGZVFWFLSA-N 1 0 346.475 3.229 40 0 EGABRO CCc1nc(C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c[nH]1 ZINC000096454216 454357306 /nfs/dbraw/zinc/35/73/06/454357306.db2.gz RXBKRUBEGBTBHF-RDJZCZTQSA-N 1 0 340.471 3.270 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[C@H](SCC)C2)CC1 ZINC000096465843 454360292 /nfs/dbraw/zinc/36/02/92/454360292.db2.gz NYLINVYPSNDBJB-CVEARBPZSA-N 1 0 327.538 3.176 40 0 EGABRO Cc1ccc(C[NH2+]Cc2cccc3c[nH]nc32)c(O[C@@H]2CCOC2)c1 ZINC000096466787 454360370 /nfs/dbraw/zinc/36/03/70/454360370.db2.gz DCBISBHIVSFSIL-GOSISDBHSA-N 1 0 337.423 3.329 40 0 EGABRO CN(Cc1cccn1C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000096473420 454362048 /nfs/dbraw/zinc/36/20/48/454362048.db2.gz OWDMZFYQUXOLBT-UHFFFAOYSA-N 1 0 346.519 3.211 40 0 EGABRO COc1ccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)cc1NC(C)=O ZINC000096476515 454362918 /nfs/dbraw/zinc/36/29/18/454362918.db2.gz XBMUGDYQLUDHJJ-DYVFJYSZSA-N 1 0 340.423 3.308 40 0 EGABRO OC1CCN(c2ncccc2NC/C=C/c2ccc(F)cc2)CC1 ZINC000091064489 454375015 /nfs/dbraw/zinc/37/50/15/454375015.db2.gz CXHCMJKJAXHZDP-HNQUOIGGSA-N 1 0 327.403 3.307 40 0 EGABRO COc1cccc(-c2noc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000097103463 454407597 /nfs/dbraw/zinc/40/75/97/454407597.db2.gz JCVKPNXTJPRGAV-MRXNPFEDSA-N 1 0 329.400 3.061 40 0 EGABRO CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000063527676 454421505 /nfs/dbraw/zinc/42/15/05/454421505.db2.gz AOZYYXRQMMYHLE-MRXNPFEDSA-N 1 0 326.362 3.150 40 0 EGABRO CCC[N@@H+]1CCCN(C(=O)c2nc(C)oc2-c2ccccc2)CC1 ZINC000097376270 454434568 /nfs/dbraw/zinc/43/45/68/454434568.db2.gz DGMYTLGXCOZHSM-UHFFFAOYSA-N 1 0 327.428 3.208 40 0 EGABRO Clc1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCOCC4)C3)o2)cc1 ZINC000049169442 454537112 /nfs/dbraw/zinc/53/71/12/454537112.db2.gz ZONNEOZKBGILIY-ZDUSSCGKSA-N 1 0 333.819 3.358 40 0 biogenic,in-vitro EGABRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCc2c3ccccc3[nH]c21 ZINC000137586977 454783221 /nfs/dbraw/zinc/78/32/21/454783221.db2.gz BLROAGZNDOJDHY-GOSISDBHSA-N 1 0 334.419 3.483 40 0 EGABRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000108929377 454816490 /nfs/dbraw/zinc/81/64/90/454816490.db2.gz RWIXOFLYDZVQRN-FRQCXROJSA-N 1 0 345.487 3.019 40 0 EGABRO CCc1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)oc1CC ZINC000125508159 454828690 /nfs/dbraw/zinc/82/86/90/454828690.db2.gz ZFLOWXMIRKRQGU-UHFFFAOYSA-N 1 0 348.487 3.169 40 0 EGABRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000127633139 454983238 /nfs/dbraw/zinc/98/32/38/454983238.db2.gz DYVQBLGENUZNRC-SCLBCKFNSA-N 1 0 346.425 3.266 40 0 EGABRO C[C@H](CC(=O)c1ccco1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000155353814 454990725 /nfs/dbraw/zinc/99/07/25/454990725.db2.gz TUJPXSYSSWZVQH-CABCVRRESA-N 1 0 332.444 3.012 40 0 EGABRO COc1cccc([C@@H](O)C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)c1 ZINC000237300008 455170382 /nfs/dbraw/zinc/17/03/82/455170382.db2.gz WNNHKXNBSFCIKN-SFHVURJKSA-N 1 0 327.424 3.232 40 0 EGABRO Cn1ccnc1[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000180642174 455215960 /nfs/dbraw/zinc/21/59/60/455215960.db2.gz FNSNBNVMNHCBNB-PBHICJAKSA-N 1 0 332.879 3.094 40 0 EGABRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1cnc2ncccn12 ZINC000245316736 455281676 /nfs/dbraw/zinc/28/16/76/455281676.db2.gz KLRXURUBQSOWPT-YLJYHZDGSA-N 1 0 349.482 3.072 40 0 EGABRO CCn1cncc1C[N@@H+]1C[C@@H]2CCC[C@](O)(c3ccc(F)cc3)[C@H]2C1 ZINC000249701603 455767894 /nfs/dbraw/zinc/76/78/94/455767894.db2.gz YQYYLUYPHMUQTK-YSSFQJQWSA-N 1 0 343.446 3.162 40 0 EGABRO C[N@H+](CCSCc1cc(=O)n2ccccc2n1)Cc1ccccc1 ZINC000193629783 455768569 /nfs/dbraw/zinc/76/85/69/455768569.db2.gz FVQOBJLOKAJDFD-UHFFFAOYSA-N 1 0 339.464 3.060 40 0 EGABRO CCc1ccc([C@@H]2[C@@H]([NH3+])[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000252514822 455819052 /nfs/dbraw/zinc/81/90/52/455819052.db2.gz DZGNFKWOJLTSQU-ZACQAIPSSA-N 1 0 335.856 3.169 40 0 EGABRO Cn1nccc1CC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000253421092 455844368 /nfs/dbraw/zinc/84/43/68/455844368.db2.gz PTLNBGJCDMGGCV-UHFFFAOYSA-N 1 0 326.469 3.452 40 0 EGABRO C[C@@H](C[S@](C)=O)[N@H+](C)C1CC(c2ccc(Br)cc2)C1 ZINC000194482703 455848335 /nfs/dbraw/zinc/84/83/35/455848335.db2.gz CJCPVIKUBMXCIW-OPSAXKSESA-N 1 0 344.318 3.394 40 0 EGABRO C[C@@H]1Cc2cc([C@H](O)C[N@@H+]3CCC[C@@H](C)C3)ccc2N1C(=O)C1CC1 ZINC000253600954 455854884 /nfs/dbraw/zinc/85/48/84/455854884.db2.gz FDLHJHJBOZDUPA-STXHMFSFSA-N 1 0 342.483 3.140 40 0 EGABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3cc(CC(C)C)no3)C2)c1 ZINC000257303470 455886110 /nfs/dbraw/zinc/88/61/10/455886110.db2.gz SHJKBRWNAUKYIC-AWEZNQCLSA-N 1 0 342.443 3.248 40 0 EGABRO Cc1nc(Nc2cccc(C3CC[NH+](CCO)CC3)n2)sc1C ZINC000257309758 455887234 /nfs/dbraw/zinc/88/72/34/455887234.db2.gz UCHBVMNNZWFWSB-UHFFFAOYSA-N 1 0 332.473 3.070 40 0 EGABRO Cn1cc(C[NH+]2CCC(c3ccnc(Nc4ccccn4)c3)CC2)cn1 ZINC000257306338 455888126 /nfs/dbraw/zinc/88/81/26/455888126.db2.gz STWMVVHBJLYCHM-UHFFFAOYSA-N 1 0 348.454 3.333 40 0 EGABRO COc1cccc2c1CCC[C@H]2[NH2+]C1CCN(c2ncccn2)CC1 ZINC000194850525 455891689 /nfs/dbraw/zinc/89/16/89/455891689.db2.gz AUDJKZHHWNOJJF-GOSISDBHSA-N 1 0 338.455 3.121 40 0 EGABRO CCCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)[nH]n1 ZINC000257324036 455892038 /nfs/dbraw/zinc/89/20/38/455892038.db2.gz WMWQIURLSPJPMG-ZNWBIBPKSA-N 1 0 344.503 3.230 40 0 EGABRO Cc1cnc(C[N@@H+]2CCOC[C@H](Cc3cccc4occc43)C2)cn1 ZINC000257335862 455894585 /nfs/dbraw/zinc/89/45/85/455894585.db2.gz YMFQFEPDMHMFSR-MRXNPFEDSA-N 1 0 337.423 3.222 40 0 EGABRO COCCC(=O)N1CCC([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000188244269 456029584 /nfs/dbraw/zinc/02/95/84/456029584.db2.gz QJYCRVYEHRYOHW-CTNGQTDRSA-N 1 0 344.499 3.114 40 0 EGABRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2noc(C(C)(C)C)n2)C1 ZINC000225604051 456097090 /nfs/dbraw/zinc/09/70/90/456097090.db2.gz RBFSUYAIJKNJNW-ZDUSSCGKSA-N 1 0 349.504 3.090 40 0 EGABRO CCOC1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCCCC1 ZINC000225708947 456106092 /nfs/dbraw/zinc/10/60/92/456106092.db2.gz SYBOVBRSKZCQQI-UHFFFAOYSA-N 1 0 334.460 3.305 40 0 EGABRO Cc1nc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccc(C)n2)cs1 ZINC000306135985 456566754 /nfs/dbraw/zinc/56/67/54/456566754.db2.gz PFTPJMUKBMQMGZ-MSOLQXFVSA-N 1 0 328.485 3.004 40 0 EGABRO Cc1cc(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)no1 ZINC000329084024 456831325 /nfs/dbraw/zinc/83/13/25/456831325.db2.gz SZFUSWQLGQVIBL-KZNAEPCWSA-N 1 0 339.439 3.002 40 0 EGABRO Cc1cccc(C(=O)N2CCC3(CO[C@@H](C[NH+]4CCCC4)C3)CC2)c1 ZINC000585104339 459824036 /nfs/dbraw/zinc/82/40/36/459824036.db2.gz HFXAYTMJFZZQMR-LJQANCHMSA-N 1 0 342.483 3.102 40 0 EGABRO Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C[NH+](C)C)n2)s1 ZINC000585182319 459831134 /nfs/dbraw/zinc/83/11/34/459831134.db2.gz CVOZEYHTGBCJOE-MRXNPFEDSA-N 1 0 329.469 3.490 40 0 EGABRO CCCC(CCC)[N@@H+]1CC[C@H](O)[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585281870 459832623 /nfs/dbraw/zinc/83/26/23/459832623.db2.gz DCYSGJCQMOOJRT-PMACEKPBSA-N 1 0 335.488 3.140 40 0 EGABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000585288588 459833338 /nfs/dbraw/zinc/83/33/38/459833338.db2.gz FHVOXMKKXIIJJT-RCCFBDPRSA-N 1 0 332.831 3.186 40 0 EGABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000585288546 459833446 /nfs/dbraw/zinc/83/34/46/459833446.db2.gz DJSPJEXQIWDINP-XUVXKRRUSA-N 1 0 329.415 3.319 40 0 EGABRO OCC1(c2ccccc2)CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000639203809 461799522 /nfs/dbraw/zinc/79/95/22/461799522.db2.gz GMOSMGJOGBZQNO-UHFFFAOYSA-N 1 0 333.435 3.156 40 0 EGABRO CNc1cnc(C[C@H]2CCC[N@H+](Cc3nccn3C(C)C)CC2)cn1 ZINC000257207228 536421662 /nfs/dbraw/zinc/42/16/62/536421662.db2.gz BGXXCFGLPBAYSS-INIZCTEOSA-N 1 0 342.491 3.141 40 0 EGABRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C1 ZINC000249413181 282911053 /nfs/dbraw/zinc/91/10/53/282911053.db2.gz YNHLVYJCDLCJSA-MCIONIFRSA-N 1 0 328.382 3.156 40 0 EGABRO [NH3+][C@@H]1CCc2nc(-c3cccnc3)nc(Nc3ccc(F)cc3)c2C1 ZINC000019341130 202005869 /nfs/dbraw/zinc/00/58/69/202005869.db2.gz MPNOZHQYTHIFBY-CQSZACIVSA-N 1 0 335.386 3.237 40 0 EGABRO CCC[C@@H](C(=O)NC(C)(C)C[NH+]1CCCCC1)n1nc(C)cc1C ZINC000019501808 202008265 /nfs/dbraw/zinc/00/82/65/202008265.db2.gz DGOYDIQXHPHVOL-KRWDZBQOSA-N 1 0 334.508 3.222 40 0 EGABRO C[C@@H]1Cc2cc(C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)ccc2O1 ZINC000019497947 202008629 /nfs/dbraw/zinc/00/86/29/202008629.db2.gz DXBQMFKXZZKHGX-APWZRJJASA-N 1 0 342.483 3.491 40 0 EGABRO COCC[NH+]1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019703716 202017251 /nfs/dbraw/zinc/01/72/51/202017251.db2.gz RRUWSKLKBUJUQR-HXUWFJFHSA-N 1 0 344.499 3.174 40 0 EGABRO COc1ccc(SCC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000020112600 202033411 /nfs/dbraw/zinc/03/34/11/202033411.db2.gz KINRHJALMNCZGO-UHFFFAOYSA-N 1 0 336.501 3.170 40 0 EGABRO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000020492999 202046562 /nfs/dbraw/zinc/04/65/62/202046562.db2.gz UCUZJLVRZLQXIZ-SFHVURJKSA-N 1 0 332.488 3.371 40 0 EGABRO O=C(Cc1ccccc1F)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189794 202113624 /nfs/dbraw/zinc/11/36/24/202113624.db2.gz IQYNMKNAQAUUHY-UHFFFAOYSA-N 1 0 326.415 3.280 40 0 EGABRO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](CC(C)C)C2CC2)c1 ZINC000027110468 202153174 /nfs/dbraw/zinc/15/31/74/202153174.db2.gz YNSXITYDSVONQS-AWEZNQCLSA-N 1 0 334.460 3.001 40 0 EGABRO CCOc1ccc(CCC(=O)NCCC[NH+]2CCCC2)cc1OCC ZINC000030859271 202200186 /nfs/dbraw/zinc/20/01/86/202200186.db2.gz NGQCMOHJCWYKTR-UHFFFAOYSA-N 1 0 348.487 3.019 40 0 EGABRO Cc1ccc(CC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cn1 ZINC000068385907 202206286 /nfs/dbraw/zinc/20/62/86/202206286.db2.gz VWJHFQLSKMZKJM-MRXNPFEDSA-N 1 0 325.456 3.178 40 0 EGABRO CCc1ccc([C@H](CNC(=O)/C=C/c2csc(C)n2)[NH+](C)C)cc1 ZINC000032734226 202231453 /nfs/dbraw/zinc/23/14/53/202231453.db2.gz SIXRNEHYXWRACB-ZGKFYVQTSA-N 1 0 343.496 3.446 40 0 EGABRO CC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nnc(C2CCC2)o1 ZINC000075918275 202379161 /nfs/dbraw/zinc/37/91/61/202379161.db2.gz NWTYPBPQMJZOOQ-SFHVURJKSA-N 1 0 340.471 3.434 40 0 EGABRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2-n2ccnc2)o1 ZINC000078612726 202398600 /nfs/dbraw/zinc/39/86/00/202398600.db2.gz FNDBYAOWMHAEEP-UHFFFAOYSA-N 1 0 333.395 3.454 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)CC1 ZINC000078657042 202399049 /nfs/dbraw/zinc/39/90/49/202399049.db2.gz WHBJXASMKZCBLH-VQIMIIECSA-N 1 0 345.487 3.032 40 0 EGABRO C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H](C)N1CC[C@H]1CCCCO1 ZINC000253397069 201186730 /nfs/dbraw/zinc/18/67/30/201186730.db2.gz UIMCRFFZMZMAPL-IYWMVGAKSA-N 1 0 338.536 3.299 40 0 EGABRO Cc1cccc(/C=C/C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000023181492 212358041 /nfs/dbraw/zinc/35/80/41/212358041.db2.gz MPIAFWPMXPGLMK-RJCHQFKYSA-N 1 0 330.472 3.012 40 0 EGABRO Cc1ccc(/C=C/C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000023181543 212357919 /nfs/dbraw/zinc/35/79/19/212357919.db2.gz UBAHEHWSIQCQCC-SJXIGLKTSA-N 1 0 336.501 3.074 40 0 EGABRO CC[C@@H]1CCC[N@H+](CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)C1 ZINC000195566062 241014155 /nfs/dbraw/zinc/01/41/55/241014155.db2.gz VYIUCDWHFXKMMK-QMTMVMCOSA-N 1 0 335.492 3.203 40 0 EGABRO O=Cc1ccccc1OCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000217796693 241274664 /nfs/dbraw/zinc/27/46/64/241274664.db2.gz POZCKOCLMDHTKY-UHFFFAOYSA-N 1 0 338.451 3.480 40 0 EGABRO Cc1cncc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000225790047 242037648 /nfs/dbraw/zinc/03/76/48/242037648.db2.gz YLUGXTBWYVCLAN-QGZVFWFLSA-N 1 0 346.862 3.146 40 0 EGABRO Cc1ncc(CN(C)C)c([C@H]2CCC[N@@H+]2CCOc2ccccc2)n1 ZINC000257202820 244123912 /nfs/dbraw/zinc/12/39/12/244123912.db2.gz ANOPCTOSGDBELV-LJQANCHMSA-N 1 0 340.471 3.063 40 0 EGABRO C[NH+](C)CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257203647 244126286 /nfs/dbraw/zinc/12/62/86/244126286.db2.gz AQZSIDQAEVHNMW-MRXNPFEDSA-N 1 0 347.846 3.144 40 0 EGABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)CCc3cccs3)CCO2)c1 ZINC000257211156 244148910 /nfs/dbraw/zinc/14/89/10/244148910.db2.gz BXSBEUXSEYHCHH-QGZVFWFLSA-N 1 0 345.468 3.026 40 0 EGABRO c1nc2ccccc2n1-c1cccc(C[C@@H]2COC3(C2)CC[NH2+]CC3)n1 ZINC000257213758 244160856 /nfs/dbraw/zinc/16/08/56/244160856.db2.gz CIZARJJNOMTOQC-INIZCTEOSA-N 1 0 348.450 3.122 40 0 EGABRO Cc1cc(N(C)C)cc([C@H]2CCN(Cc3nccn3C(C)C)C2)[nH+]1 ZINC000257230893 244213595 /nfs/dbraw/zinc/21/35/95/244213595.db2.gz GEKROWIXOSFKPU-INIZCTEOSA-N 1 0 327.476 3.223 40 0 EGABRO c1ccc(Nc2nccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)nc1 ZINC000072377632 203209706 /nfs/dbraw/zinc/20/97/06/203209706.db2.gz VQUMMDOISDLQLU-QGZVFWFLSA-N 1 0 346.438 3.390 40 0 EGABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 ZINC000072358041 203204455 /nfs/dbraw/zinc/20/44/55/203204455.db2.gz MSDFLAMPDHDMSE-OAQYLSRUSA-N 1 0 349.478 3.432 40 0 EGABRO Cc1cc(NC(=O)CCc2cc(C)nc([C@@H]3CCC[N@H+]3C)c2)no1 ZINC000072360548 203205714 /nfs/dbraw/zinc/20/57/14/203205714.db2.gz JVBSCYVVGXSQML-INIZCTEOSA-N 1 0 328.416 3.024 40 0 EGABRO O=c1cc([C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392892 203213283 /nfs/dbraw/zinc/21/32/83/203213283.db2.gz UDMLNLGQZYQFOB-SFHVURJKSA-N 1 0 346.434 3.212 40 0 EGABRO O=C(C1CCCC1)N(c1ccc(F)cc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257326247 244534150 /nfs/dbraw/zinc/53/41/50/244534150.db2.gz WWLUEWXYOKHDIM-SFHVURJKSA-N 1 0 346.446 3.260 40 0 EGABRO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[NH+](CC3CCCC3)C[C@@H]2C1 ZINC000096080941 203829696 /nfs/dbraw/zinc/82/96/96/203829696.db2.gz LEZCAUONJBUCSR-QZTJIDSGSA-N 1 0 346.902 3.463 40 0 EGABRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000110704165 204319720 /nfs/dbraw/zinc/31/97/20/204319720.db2.gz MZEFXJUDTNUWJP-BXWFABGCSA-N 1 0 348.512 3.356 40 0 EGABRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(Br)cc2F)C1 ZINC000046878906 204336621 /nfs/dbraw/zinc/33/66/21/204336621.db2.gz UTQGSUXHNXZKJW-LLVKDONJSA-N 1 0 343.240 3.050 40 0 EGABRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(F)cc2Br)C1 ZINC000046878548 204336871 /nfs/dbraw/zinc/33/68/71/204336871.db2.gz OATBFQVOUFNOMA-NSHDSACASA-N 1 0 343.240 3.050 40 0 EGABRO c1csc(-c2noc(C3C[NH+](Cc4ccc5c(c4)CCO5)C3)n2)c1 ZINC000049484451 204392245 /nfs/dbraw/zinc/39/22/45/204392245.db2.gz ILFNKKKPRBSIBI-UHFFFAOYSA-N 1 0 339.420 3.332 40 0 EGABRO CC[n+]1cc(Br)cc(-c2nc3cc(N)cc(C)c3o2)c1 ZINC000226778148 205151703 /nfs/dbraw/zinc/15/17/03/205151703.db2.gz JRWHEXFTKWRQSK-UHFFFAOYSA-N 1 0 333.209 3.455 40 0 EGABRO C[NH+](C)CCSc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000095403938 218339262 /nfs/dbraw/zinc/33/92/62/218339262.db2.gz YTYZVMLBUZLTFO-IYBDPMFKSA-N 1 0 333.501 3.460 40 0 EGABRO Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)OCO4)CC2)nc1 ZINC000095423128 218365270 /nfs/dbraw/zinc/36/52/70/218365270.db2.gz NYDQPQHHXATYNR-HNNXBMFYSA-N 1 0 339.439 3.438 40 0 EGABRO C[S@@](=O)Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177724359 207383428 /nfs/dbraw/zinc/38/34/28/207383428.db2.gz IQROQMFFYTUFCQ-VOIUYBSRSA-N 1 0 348.512 3.158 40 0 EGABRO CS(=O)(=O)c1ccc(NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000096501974 218878602 /nfs/dbraw/zinc/87/86/02/218878602.db2.gz XPIYUUPDHZSMOM-UHFFFAOYSA-N 1 0 344.480 3.298 40 0 EGABRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(OCC4CC4)cc3)[C@@H]2C1 ZINC000191451246 533431963 /nfs/dbraw/zinc/43/19/63/533431963.db2.gz DJYZYXDULUFRIZ-AQNXPRMDSA-N 1 0 331.456 3.244 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@H](c1ccccc1)[C@H](O)[C@H]1CC=CCC1 ZINC000005572734 276327487 /nfs/dbraw/zinc/32/74/87/276327487.db2.gz HRCOKXUTLNEIOQ-XUVXKRRUSA-N 1 0 345.483 3.372 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@H](c1ccccc1)C1(O)CCCCC1 ZINC000001646367 276327515 /nfs/dbraw/zinc/32/75/15/276327515.db2.gz KTWQAWSQSOISLN-SFHVURJKSA-N 1 0 333.472 3.350 40 0 EGABRO CC(C)CC(=O)N1CC[C@@H]2[C@H](C1)CCCC[N@@H+]2CC1CCOCC1 ZINC000257332600 277343438 /nfs/dbraw/zinc/34/34/38/277343438.db2.gz XXZCTSDFKDRGLP-RBUKOAKNSA-N 1 0 336.520 3.162 40 0 EGABRO Cc1ccc2c(c1)CN(C(=O)C1CCCCC1)[C@H](C[NH+](C)C)CO2 ZINC000012406577 278875414 /nfs/dbraw/zinc/87/54/14/278875414.db2.gz DXVIGPRWTHAYMZ-GOSISDBHSA-N 1 0 330.472 3.227 40 0 EGABRO C[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1N(C)C ZINC000096477963 289939374 /nfs/dbraw/zinc/93/93/74/289939374.db2.gz LKZOPQAXVQNFDE-JKSUJKDBSA-N 1 0 349.494 3.043 40 0 EGABRO Cc1ccsc1[C@@H](CO)[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414370629 309075924 /nfs/dbraw/zinc/07/59/24/309075924.db2.gz VNMJONPXOXLWKO-LLVKDONJSA-N 1 0 327.352 3.201 40 0 EGABRO CC(C)[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(F)cc1F ZINC000130350359 323219564 /nfs/dbraw/zinc/21/95/64/323219564.db2.gz DINCZISZMLOAAK-CXAGYDPISA-N 1 0 339.430 3.255 40 0 EGABRO C[C@H](NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1)c1ccco1 ZINC000240333418 455263415 /nfs/dbraw/zinc/26/34/15/455263415.db2.gz FDBLIRWHVBMWKX-LSDHHAIUSA-N 1 0 348.468 3.200 40 0 EGABRO 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ZINC000096069923 454277885 /nfs/dbraw/zinc/27/78/85/454277885.db2.gz KALDKSJZLUDKIU-OALUTQOASA-N 1 0 325.456 3.032 40 0 EGABRO c1sc([C@H]2C[C@@H]3CC[N@@H+](C4CCOCC4)C[C@H]3O2)nc1C1CC1 ZINC000096070613 454278265 /nfs/dbraw/zinc/27/82/65/454278265.db2.gz PAILLNUVCSKOJP-IAOVAPTHSA-N 1 0 334.485 3.351 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)o1 ZINC000096064798 454278760 /nfs/dbraw/zinc/27/87/60/454278760.db2.gz RWWAZNRHVGVUKQ-AABGKKOBSA-N 1 0 342.439 3.322 40 0 EGABRO Cc1cccc(CN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)n1 ZINC000096079731 454279678 /nfs/dbraw/zinc/27/96/78/454279678.db2.gz QURLTQGQIZPDBD-IBGZPJMESA-N 1 0 337.467 3.468 40 0 EGABRO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2ccccn2)n(C)n1 ZINC000096081933 454280507 /nfs/dbraw/zinc/28/05/07/454280507.db2.gz UGLYUNRBHCRXEI-YQVWRLOYSA-N 1 0 339.487 3.084 40 0 EGABRO CC[NH+]1CCC2(CC1)C[C@H](Nc1ncc(F)cn1)c1ccccc1O2 ZINC000096079756 454280650 /nfs/dbraw/zinc/28/06/50/454280650.db2.gz KPZWLZJWJNNXKR-INIZCTEOSA-N 1 0 342.418 3.406 40 0 EGABRO O=C(c1cccc(Cl)c1)N1CCC2(C[C@@H]([NH+]3CCCC3)CO2)CC1 ZINC000096158654 454295258 /nfs/dbraw/zinc/29/52/58/454295258.db2.gz XIVCTAOLHASOAT-QGZVFWFLSA-N 1 0 348.874 3.200 40 0 EGABRO Cc1ccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)cc1 ZINC000096187628 454299965 /nfs/dbraw/zinc/29/99/65/454299965.db2.gz VYXYWXPQVPOWEJ-UHFFFAOYSA-N 1 0 330.435 3.448 40 0 EGABRO C[NH+](C)[C@@H]1CCO[C@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096205891 454303865 /nfs/dbraw/zinc/30/38/65/454303865.db2.gz WZBKJHDAOLESMV-RHSMWYFYSA-N 1 0 326.843 3.164 40 0 EGABRO CCOC[C@H]1CCC2(CCN(C(=O)C3CC=CC3)CC2)[N@@H+]1CC1CC1 ZINC000096206669 454304521 /nfs/dbraw/zinc/30/45/21/454304521.db2.gz LFSBWHHBIAWWPC-LJQANCHMSA-N 1 0 346.515 3.225 40 0 EGABRO Cc1cc(C(=O)N2CC[C@]3(C2)C[C@@H]([NH+]2CCCC2)CCO3)sc1C ZINC000096209265 454305188 /nfs/dbraw/zinc/30/51/88/454305188.db2.gz ZBMSZTXYDDETFJ-QFBILLFUSA-N 1 0 348.512 3.224 40 0 EGABRO Cc1nc(CN2C[C@@]3(CC[N@H+](Cc4cccs4)C3)CC2=O)cs1 ZINC000096239363 454310886 /nfs/dbraw/zinc/31/08/86/454310886.db2.gz GDOLMMFKDZAJLY-KRWDZBQOSA-N 1 0 347.509 3.138 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@H](F)[C@]3(CCN(C(=O)c4ccco4)C3)C2)o1 ZINC000096241223 454311672 /nfs/dbraw/zinc/31/16/72/454311672.db2.gz CXBOOBAJAYUFNG-PKOBYXMFSA-N 1 0 346.402 3.257 40 0 EGABRO C[N@@H+]1CCC[C@@]2(CN(Cc3ccc(C(F)(F)F)cc3)CCO2)C1 ZINC000096268595 454314896 /nfs/dbraw/zinc/31/48/96/454314896.db2.gz QCBSLZJODUVFDU-INIZCTEOSA-N 1 0 328.378 3.002 40 0 EGABRO COc1ccc2c3c1O[C@]1(C)C=C(Cl)C=C4[C@@H](C2)[N@H+](C)CC[C@@]341 ZINC000096316377 454318498 /nfs/dbraw/zinc/31/84/98/454318498.db2.gz ZOKWVYUPBVGDOC-ZMYBRWDISA-N 1 0 329.827 3.407 40 0 biogenic,in-vitro EGABRO C[C@@H](Sc1ccccn1)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000096461106 454359423 /nfs/dbraw/zinc/35/94/23/454359423.db2.gz YINHQZOOPVGNOS-HZPDHXFCSA-N 1 0 333.501 3.039 40 0 EGABRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2sc(C)nc2C)cc1 ZINC000096478500 454364062 /nfs/dbraw/zinc/36/40/62/454364062.db2.gz XCTRDPSJNXNVDV-LLVKDONJSA-N 1 0 333.457 3.275 40 0 EGABRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Nc1c(F)cc(F)cc1Cl ZINC000096487575 454367564 /nfs/dbraw/zinc/36/75/64/454367564.db2.gz FDJVTCHRMWLIHS-ZANVPECISA-N 1 0 331.794 3.422 40 0 EGABRO O=S1(=O)CCC[C@H]([NH2+]CCc2cccc(-c3ccccc3)c2)C1 ZINC000096491695 454368286 /nfs/dbraw/zinc/36/82/86/454368286.db2.gz AJBFMIOYDMTPMJ-IBGZPJMESA-N 1 0 329.465 3.063 40 0 EGABRO CC(=O)NCCC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000096493335 454370128 /nfs/dbraw/zinc/37/01/28/454370128.db2.gz LSVGPCNBCHNNSX-SNVBAGLBSA-N 1 0 339.233 3.372 40 0 EGABRO C[NH+](C)CCOc1ccc(NC(=O)c2ncoc2-c2ccco2)cc1 ZINC000079309441 454395776 /nfs/dbraw/zinc/39/57/76/454395776.db2.gz HJQHGQLNSUNCGS-UHFFFAOYSA-N 1 0 341.367 3.127 40 0 EGABRO O=c1[nH]c2ccccc2cc1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000079311575 454395827 /nfs/dbraw/zinc/39/58/27/454395827.db2.gz KCTIKPOGLMSODE-NRFANRHFSA-N 1 0 348.446 3.400 40 0 EGABRO Cc1ccc(OCCC[NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000097098762 454406239 /nfs/dbraw/zinc/40/62/39/454406239.db2.gz QPLKUTSJQDQPKG-GOSISDBHSA-N 1 0 345.464 3.272 40 0 EGABRO COc1ccc(-c2csc(NC(=O)[C@H]3CC[NH2+]C3)n2)cc1Cl ZINC000097228944 454426979 /nfs/dbraw/zinc/42/69/79/454426979.db2.gz AGLLLWNNHZDXCS-JTQLQIEISA-N 1 0 337.832 3.020 40 0 EGABRO O=C(Nc1ccccc1OC1CCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000102716756 454517537 /nfs/dbraw/zinc/51/75/37/454517537.db2.gz SHJHKPSQVLTVJC-MRXNPFEDSA-N 1 0 341.455 3.486 40 0 EGABRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccco2)[C@@H]1c1cccs1 ZINC000080564622 454598925 /nfs/dbraw/zinc/59/89/25/454598925.db2.gz IBICKUORQFEJNB-XJKSGUPXSA-N 1 0 333.457 3.223 40 0 EGABRO COc1ccc(-c2noc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000125456331 454824151 /nfs/dbraw/zinc/82/41/51/454824151.db2.gz FNRXOUFSOMDYJT-MRXNPFEDSA-N 1 0 329.400 3.061 40 0 EGABRO C[C@@H]1CCCN(C(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000110706924 454852276 /nfs/dbraw/zinc/85/22/76/454852276.db2.gz POCLFSSXHASQBC-ZHALLVOQSA-N 1 0 330.472 3.002 40 0 EGABRO COc1ccccc1[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000157169473 455169685 /nfs/dbraw/zinc/16/96/85/455169685.db2.gz XMMAXHQAMXTHMB-OAQYLSRUSA-N 1 0 338.451 3.291 40 0 EGABRO CCc1nc(C)c([C@@H](C)Nc2ccc(N3CCOCC3)cn2)s1 ZINC000182871561 455180514 /nfs/dbraw/zinc/18/05/14/455180514.db2.gz XLNOGGODQKCOMC-GFCCVEGCSA-N 1 0 332.473 3.419 40 0 EGABRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)NCc1ccccc1 ZINC000192051415 455548476 /nfs/dbraw/zinc/54/84/76/455548476.db2.gz MBMNNBCJRHSKAR-IEBWSBKVSA-N 1 0 344.842 3.076 40 0 EGABRO c1csc(C[N@H+]2CCO[C@H]3[C@H](CNc4cccnc4)CC[C@@H]32)c1 ZINC000247856779 455650089 /nfs/dbraw/zinc/65/00/89/455650089.db2.gz XUQQWUWQNBINAV-WBAXXEDZSA-N 1 0 329.469 3.235 40 0 EGABRO c1cc(COCC[C@@H]2CCOC23CC[NH+](C2CCC2)CC3)ccn1 ZINC000247877843 455651524 /nfs/dbraw/zinc/65/15/24/455651524.db2.gz PAOVQFOXKUFSQP-GOSISDBHSA-N 1 0 330.472 3.412 40 0 EGABRO COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@](O)(c3ccccn3)[C@H]2C1 ZINC000247906336 455653792 /nfs/dbraw/zinc/65/37/92/455653792.db2.gz KEIJZPQCLZFUQA-DJPFJPOOSA-N 1 0 338.451 3.128 40 0 EGABRO Cc1nc(C)c(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)s1 ZINC000248172596 455693381 /nfs/dbraw/zinc/69/33/81/455693381.db2.gz VBAZAVVKRLDWON-KDOFPFPSSA-N 1 0 344.528 3.198 40 0 EGABRO c1ccc2c(c1)NCCC[C@H]2[NH2+]Cc1ccnc(O[C@H]2CCOC2)c1 ZINC000193063794 455740816 /nfs/dbraw/zinc/74/08/16/455740816.db2.gz MIFREKNKZCZACN-QFBILLFUSA-N 1 0 339.439 3.286 40 0 EGABRO CC(=O)NC1CCC([NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)CC1 ZINC000250119958 455785813 /nfs/dbraw/zinc/78/58/13/455785813.db2.gz VCNPZRXRDLDBEX-RMFNQSEZSA-N 1 0 349.544 3.168 40 0 EGABRO Cc1cnc(C[N@@H+]2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)cn1 ZINC000257285011 455882389 /nfs/dbraw/zinc/88/23/89/455882389.db2.gz PFGDECPZMGNOBI-KRWDZBQOSA-N 1 0 337.423 3.222 40 0 EGABRO Cc1cccc(Nc2cnc([C@H]3CCCN(Cc4c[nH]cn4)C3)cn2)n1 ZINC000257305318 455886671 /nfs/dbraw/zinc/88/66/71/455886671.db2.gz SPKDBHUXGDVDOA-HNNXBMFYSA-N 1 0 349.442 3.026 40 0 EGABRO Cc1cnc([C@@H]2CCC[N@H+](Cc3cnn4c3nc(C)cc4C)C2)s1 ZINC000257307968 455888176 /nfs/dbraw/zinc/88/81/76/455888176.db2.gz TUXDRKZEEIFXPM-OAHLLOKOSA-N 1 0 341.484 3.491 40 0 EGABRO Cc1nc(C(=O)N2CCCC[C@H]3[C@@H]2[C@H](c2ccccc2)C[N@H+]3C)co1 ZINC000257328125 455892744 /nfs/dbraw/zinc/89/27/44/455892744.db2.gz XEGTWCVXOAVGBJ-WDSOQIARSA-N 1 0 339.439 3.076 40 0 EGABRO c1c[nH]c(-c2cnc(CC3CC[NH+](C4CCCCC4)CC3)cn2)n1 ZINC000257336398 455894262 /nfs/dbraw/zinc/89/42/62/455894262.db2.gz YOFQZVLSUXEOQG-UHFFFAOYSA-N 1 0 325.460 3.454 40 0 EGABRO COc1cc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)ccc1O ZINC000194995753 455911418 /nfs/dbraw/zinc/91/14/18/455911418.db2.gz JRFNPYUUMLKYSW-UHFFFAOYSA-N 1 0 345.414 3.110 40 0 EGABRO C[C@@H](Cc1ccc2ccccc2c1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000195570388 455987263 /nfs/dbraw/zinc/98/72/63/455987263.db2.gz ZZVWOFOETLJIQU-FUHWJXTLSA-N 1 0 339.483 3.364 40 0 EGABRO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(Br)cc1F ZINC000215575499 456026408 /nfs/dbraw/zinc/02/64/08/456026408.db2.gz XRPXKFAWVUUINM-RAALSFIWSA-N 1 0 336.270 3.396 40 0 EGABRO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)Nc1cccs1 ZINC000225576337 456094774 /nfs/dbraw/zinc/09/47/74/456094774.db2.gz IZVUGEUGPJHFGW-CYBMUJFWSA-N 1 0 325.503 3.087 40 0 EGABRO CCCCC(=O)N1CCC2(C[C@H](C[NH+]3CCC(F)(F)CC3)O2)CC1 ZINC000306139759 456568222 /nfs/dbraw/zinc/56/82/22/456568222.db2.gz TZTZBYHBXBZSRO-OAHLLOKOSA-N 1 0 344.446 3.058 40 0 EGABRO FC(F)c1cccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000390822904 457441847 /nfs/dbraw/zinc/44/18/47/457441847.db2.gz MXZUIXCVJHSJCX-UHFFFAOYSA-N 1 0 344.369 3.432 40 0 EGABRO CC(=O)c1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(F)c1 ZINC000390833307 457446267 /nfs/dbraw/zinc/44/62/67/457446267.db2.gz FVONJMLCFAIMBO-YJYMSZOUSA-N 1 0 342.414 3.450 40 0 EGABRO COc1cc(C)c(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1F ZINC000585101428 459823453 /nfs/dbraw/zinc/82/34/53/459823453.db2.gz MRYZVZROKXDTQB-CYBMUJFWSA-N 1 0 337.439 3.385 40 0 EGABRO COCC[C@H]1CCOC12CC[NH+](Cc1cc(OC)cc(OC)c1)CC2 ZINC000585105481 459824996 /nfs/dbraw/zinc/82/49/96/459824996.db2.gz XQDCJCSATWGULM-KRWDZBQOSA-N 1 0 349.471 3.111 40 0 EGABRO Cc1cc(C)cc(C(=O)N2CC[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]32)c1 ZINC000585107638 459825213 /nfs/dbraw/zinc/82/52/13/459825213.db2.gz BVOBNCZWKLZVHS-QUCCMNQESA-N 1 0 335.451 3.045 40 0 EGABRO COc1cccc(C[NH+]2CC3(C2)C[C@H](Oc2cccnc2)CS3)c1 ZINC000585105446 459825268 /nfs/dbraw/zinc/82/52/68/459825268.db2.gz WRIGEFOVOPWMRG-SFHVURJKSA-N 1 0 342.464 3.229 40 0 EGABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000585288918 459833374 /nfs/dbraw/zinc/83/33/74/459833374.db2.gz BSBPDSNVRXEKBM-XUVXKRRUSA-N 1 0 345.414 3.155 40 0 EGABRO CCCc1cc(C[NH2+][C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)on1 ZINC000585290032 459833541 /nfs/dbraw/zinc/83/35/41/459833541.db2.gz ZGMSRZTYXFTMLE-DFQSSKMNSA-N 1 0 344.455 3.386 40 0 EGABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000585289290 459833692 /nfs/dbraw/zinc/83/36/92/459833692.db2.gz HMUHJFVEEDLUHE-RCCFBDPRSA-N 1 0 339.863 3.017 40 0 EGABRO COCc1ccccc1/C=C(\C)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000646048637 462502931 /nfs/dbraw/zinc/50/29/31/462502931.db2.gz IRIKQHGKIJXQAC-TVADFSRQSA-N 1 0 344.499 3.033 40 0 EGABRO Cc1ccc(N2CC[NH+](C[C@@H](O)Cn3ccc4ccccc43)CC2)cc1 ZINC000026893798 1291281279 /nfs/dbraw/zinc/28/12/79/1291281279.db2.gz FKQLBWQVGBDGAT-OAQYLSRUSA-N 1 0 349.478 3.133 40 0 EGABRO FC(F)(F)c1cnc(NCC[NH2+][C@@H]2COC3(CCC3)C2)c(Cl)c1 ZINC000952852448 1334581471 /nfs/dbraw/zinc/58/14/71/1334581471.db2.gz WTNVUJISDIXDJO-NSHDSACASA-N 1 0 349.784 3.467 40 0 EGABRO OCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Cl)c(Cl)c1 ZINC000019292832 202003161 /nfs/dbraw/zinc/00/31/61/202003161.db2.gz LJMPDSPPBXDVBE-KBPBESRZSA-N 1 0 329.271 3.024 40 0 EGABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)[nH]c(=O)c1C ZINC000019555375 202011064 /nfs/dbraw/zinc/01/10/64/202011064.db2.gz CYFCEWZIPWHXKF-SFHVURJKSA-N 1 0 348.450 3.315 40 0 EGABRO Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@H]2CCC[NH2+]C2)sc1C ZINC000019559697 202011631 /nfs/dbraw/zinc/01/16/31/202011631.db2.gz PPBZBMORXNPQHN-LSDHHAIUSA-N 1 0 349.525 3.221 40 0 EGABRO CSc1ncc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cn1 ZINC000019574141 202014020 /nfs/dbraw/zinc/01/40/20/202014020.db2.gz HXPCBWFKNIJIMQ-OAHLLOKOSA-N 1 0 339.468 3.454 40 0 EGABRO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c1 ZINC000040013642 213249758 /nfs/dbraw/zinc/24/97/58/213249758.db2.gz JFSGYWHPLLUQSZ-KUHUBIRLSA-N 1 0 345.414 3.461 40 0 EGABRO C[NH+](C)[C@H](CNC(=O)c1ccc(OC(F)F)cc1)c1cccs1 ZINC000021670131 202068840 /nfs/dbraw/zinc/06/88/40/202068840.db2.gz DMNZTJCPCXXJQR-CYBMUJFWSA-N 1 0 340.395 3.382 40 0 EGABRO COc1cc(C[NH2+]CCN(C)C)ccc1OCc1ccc(C)cc1 ZINC000022074915 202078989 /nfs/dbraw/zinc/07/89/89/202078989.db2.gz VXCXPIFSEJIOHS-UHFFFAOYSA-N 1 0 328.456 3.234 40 0 EGABRO O=C(NCc1ccco1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220982 202167189 /nfs/dbraw/zinc/16/71/89/202167189.db2.gz NLZRUFGOXITTKK-HNNXBMFYSA-N 1 0 332.831 3.461 40 0 EGABRO c1cc(-c2noc([C@@H]3CCC[N@H+]3CC3CC3)n2)cc(N2CCCC2)n1 ZINC000035426347 202302909 /nfs/dbraw/zinc/30/29/09/202302909.db2.gz WMBIGUPHOCFGDS-INIZCTEOSA-N 1 0 339.443 3.279 40 0 biogenic,in-vitro EGABRO Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000078553345 202395846 /nfs/dbraw/zinc/39/58/46/202395846.db2.gz QMNBLCAFQXKJCT-IBGZPJMESA-N 1 0 327.472 3.395 40 0 EGABRO COc1ccc(OC[C@@H](O)C[NH+]2CCC(C)CC2)c(C(C)(C)C)c1 ZINC000026781130 212534817 /nfs/dbraw/zinc/53/48/17/212534817.db2.gz HAXDXPSLJFTLMP-INIZCTEOSA-N 1 0 335.488 3.464 40 0 EGABRO CSCc1ccccc1NC(=O)C1CCN(CC(F)F)CC1 ZINC000281198369 201325565 /nfs/dbraw/zinc/32/55/65/201325565.db2.gz KXOOJBJSMOWYGS-UHFFFAOYSA-N 1 0 328.428 3.465 40 0 EGABRO CC[C@@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc21 ZINC000003872852 201360628 /nfs/dbraw/zinc/36/06/28/201360628.db2.gz LJOQGZACKSYWCH-UYVJDWJCSA-N 1 0 326.440 3.397 40 0 EGABRO COc1ccccc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023128066 212352475 /nfs/dbraw/zinc/35/24/75/212352475.db2.gz KNKGHEIGRXMTJP-UHFFFAOYSA-N 1 0 344.480 3.399 40 0 EGABRO COc1cc(OC)cc(C(=O)NCC2CC[NH+](C3CCCC3)CC2)c1 ZINC000023014391 212341679 /nfs/dbraw/zinc/34/16/79/212341679.db2.gz RFXCMJMWYFSARX-UHFFFAOYSA-N 1 0 346.471 3.088 40 0 EGABRO CCc1ccc(CC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225877295 242067709 /nfs/dbraw/zinc/06/77/09/242067709.db2.gz FTTCCGGUAAHMTD-UHFFFAOYSA-N 1 0 336.479 3.356 40 0 EGABRO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(O)c(CO)c1 ZINC000005352568 201648898 /nfs/dbraw/zinc/64/88/98/201648898.db2.gz NZBXAYHLQSMNQS-LJQANCHMSA-N 1 0 329.440 3.219 40 0 EGABRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)cn1 ZINC000090919065 203071210 /nfs/dbraw/zinc/07/12/10/203071210.db2.gz HZOMAHKZUGFRKN-QFBILLFUSA-N 1 0 340.471 3.306 40 0 EGABRO Cc1c[nH]c(-c2cc([C@@H]3CC[N@H+](Cc4ccccc4)C3)nc(C)n2)n1 ZINC000257218670 244174648 /nfs/dbraw/zinc/17/46/48/244174648.db2.gz DEAXEOZFDGXLGS-QGZVFWFLSA-N 1 0 333.439 3.473 40 0 EGABRO CCC(CC)C(=O)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257225212 244197628 /nfs/dbraw/zinc/19/76/28/244197628.db2.gz FFHQKNAUJYDVNC-SFHVURJKSA-N 1 0 330.472 3.367 40 0 EGABRO Fc1cccc(C[C@@H]2CC3(CO2)CC[NH+](Cc2ncc[nH]2)CC3)c1 ZINC000257232613 244217139 /nfs/dbraw/zinc/21/71/39/244217139.db2.gz GLPWPOBPQLEDDF-QGZVFWFLSA-N 1 0 329.419 3.163 40 0 EGABRO O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257220439 244180739 /nfs/dbraw/zinc/18/07/39/244180739.db2.gz DKVMWPFDQVKBPB-UKRRQHHQSA-N 1 0 326.362 3.310 40 0 EGABRO c1cc2ccc(C[C@H]3COCC[N@@H+](CC4CCOCC4)C3)cc2o1 ZINC000257236144 244228346 /nfs/dbraw/zinc/22/83/46/244228346.db2.gz HAYUHTRDXAKSDB-GOSISDBHSA-N 1 0 329.440 3.350 40 0 EGABRO O=c1cc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392893 203214081 /nfs/dbraw/zinc/21/40/81/203214081.db2.gz UDMLNLGQZYQFOB-GOSISDBHSA-N 1 0 346.434 3.212 40 0 EGABRO Cn1cncc1-c1cncc([C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000257332735 244553851 /nfs/dbraw/zinc/55/38/51/244553851.db2.gz XYLRQQGSOMSCLT-HNNXBMFYSA-N 1 0 325.460 3.389 40 0 EGABRO C[NH+]1CCC(CCNC(=O)CSCc2cccc(Cl)c2)CC1 ZINC000156315282 206070413 /nfs/dbraw/zinc/07/04/13/206070413.db2.gz CZAZLEJGCMWOAF-UHFFFAOYSA-N 1 0 340.920 3.421 40 0 EGABRO C[C@@H](c1nc(C2CC2)no1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000266437475 248300606 /nfs/dbraw/zinc/30/06/06/248300606.db2.gz VMVUCMGSPQHEHB-AWEZNQCLSA-N 1 0 349.438 3.378 40 0 EGABRO O=C(Cc1cc[nH]n1)NCc1ccccc1C[NH+]1CCCCCCC1 ZINC000095404261 218339389 /nfs/dbraw/zinc/33/93/89/218339389.db2.gz RWANVGQKLWTEKH-UHFFFAOYSA-N 1 0 340.471 3.035 40 0 EGABRO CCOC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000095431992 218375271 /nfs/dbraw/zinc/37/52/71/218375271.db2.gz ONIHBFNKQYVQDW-NVXWUHKLSA-N 1 0 349.862 3.264 40 0 EGABRO C[S@@](=O)Cc1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177724387 207384798 /nfs/dbraw/zinc/38/47/98/207384798.db2.gz IQROQMFFYTUFCQ-UPCLLVRISA-N 1 0 348.512 3.158 40 0 EGABRO CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222773581 285179537 /nfs/dbraw/zinc/17/95/37/285179537.db2.gz ZVSIYQKXLZOKQG-MSOLQXFVSA-N 1 0 349.463 3.260 40 0 EGABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[NH2+]CCN ZINC000118918953 221204197 /nfs/dbraw/zinc/20/41/97/221204197.db2.gz UCLYPBSPTCWPOQ-YRQPXTNQSA-N 1 0 334.548 3.307 40 0 EGABRO c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC1)CC21CCN(c2cccnc2)CC1 ZINC000096079015 285523826 /nfs/dbraw/zinc/52/38/26/285523826.db2.gz GXVCHHMBYMRFIC-DYESRHJHSA-N 1 0 349.478 3.443 40 0 EGABRO O[C@]1(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CCSC1 ZINC000089704426 275060271 /nfs/dbraw/zinc/06/02/71/275060271.db2.gz CSYUPDLWSIWQFL-JSGCOSHPSA-N 1 0 346.265 3.033 40 0 EGABRO CC[NH+]1CCC(n2nccc2NCc2cn(C(C)C)nc2C)CC1 ZINC000281483214 275552756 /nfs/dbraw/zinc/55/27/56/275552756.db2.gz VPPVOXFPKPETOP-UHFFFAOYSA-N 1 0 330.480 3.238 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000183527835 278390205 /nfs/dbraw/zinc/39/02/05/278390205.db2.gz UTNSQQUATZXUSP-QXSJWSMHSA-N 1 0 338.492 3.179 40 0 EGABRO Cc1ccc2c(c1)CN(Cc1cccc(F)c1)[C@@H](C[NH+](C)C)CO2 ZINC000019219386 281070985 /nfs/dbraw/zinc/07/09/85/281070985.db2.gz RXJBWSOUBUCEQV-IBGZPJMESA-N 1 0 328.431 3.459 40 0 EGABRO Cc1nc(C)c(-c2csc(NC(=O)[C@H]3CCC[NH2+][C@@H]3C)n2)s1 ZINC000333248357 308854525 /nfs/dbraw/zinc/85/45/25/308854525.db2.gz GEORCVNKBFFAKD-KCJUWKMLSA-N 1 0 336.486 3.210 40 0 EGABRO CC(C)(C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)N1CCOCC1 ZINC000097373257 323215540 /nfs/dbraw/zinc/21/55/40/323215540.db2.gz ORGVDNNJWYFXQO-IBGZPJMESA-N 1 0 343.446 3.011 40 0 EGABRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000119479642 323216631 /nfs/dbraw/zinc/21/66/31/323216631.db2.gz MJBWKJGZBBBVHL-XGACYXMMSA-N 1 0 348.443 3.179 40 0 EGABRO Cc1nc(C)c(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)s1 ZINC000158005860 455258946 /nfs/dbraw/zinc/25/89/46/455258946.db2.gz VBAZAVVKRLDWON-KSSFIOAISA-N 1 0 344.528 3.198 40 0 EGABRO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)C1 ZINC000239762145 455262337 /nfs/dbraw/zinc/26/23/37/455262337.db2.gz CKYQPZIJXBUFOO-GHTZIAJQSA-N 1 0 349.478 3.335 40 0 EGABRO [NH3+][C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242548101 455271307 /nfs/dbraw/zinc/27/13/07/455271307.db2.gz LCTJGKALHGAFFD-RBSFLKMASA-N 1 0 342.247 3.260 40 0 EGABRO CCC(=O)O[C@H](C[NH3+])[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000003845397 452785366 /nfs/dbraw/zinc/78/53/66/452785366.db2.gz FLMGZJLLDPIYRL-PKOBYXMFSA-N 1 0 325.408 3.324 40 0 EGABRO C[N@@H+]1CCC[C@H](OC(=O)[C@@H](c2ccccc2)C2(O)CCCCC2)C1 ZINC000005119315 452837983 /nfs/dbraw/zinc/83/79/83/452837983.db2.gz PPTLBEHNSNNAFL-ZWKOTPCHSA-N 1 0 331.456 3.103 40 0 EGABRO COC(=O)c1ccc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000006305987 452932913 /nfs/dbraw/zinc/93/29/13/452932913.db2.gz BRSSLYFADAXSDI-OAHLLOKOSA-N 1 0 337.460 3.017 40 0 EGABRO c1ccc(C[NH+]2CCC(NCc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000006552126 452951880 /nfs/dbraw/zinc/95/18/80/452951880.db2.gz RZMMMWUYJOSSMI-UHFFFAOYSA-N 1 0 348.450 3.491 40 0 EGABRO COc1cc(CNCCC[NH+](C)C)ccc1OCc1cccs1 ZINC000007523886 453083226 /nfs/dbraw/zinc/08/32/26/453083226.db2.gz JUNHUDYRPPKAKX-UHFFFAOYSA-N 1 0 334.485 3.377 40 0 EGABRO CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000008326396 453191806 /nfs/dbraw/zinc/19/18/06/453191806.db2.gz MZUUMXFTUINPAY-INIZCTEOSA-N 1 0 333.403 3.274 40 0 EGABRO O=C(CSc1ccc(Cl)cc1)NCCC[NH+]1CCCCC1 ZINC000010276931 453284267 /nfs/dbraw/zinc/28/42/67/453284267.db2.gz CJIWQOHAFVLCFJ-UHFFFAOYSA-N 1 0 326.893 3.424 40 0 EGABRO CCc1nn2c(nccc2[C@H]2CCC[NH2+]C2)c1-c1ccc(OC)cc1 ZINC000012118302 453345092 /nfs/dbraw/zinc/34/50/92/453345092.db2.gz RTDMBYGQOHNFJH-HNNXBMFYSA-N 1 0 336.439 3.434 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119070 453345531 /nfs/dbraw/zinc/34/55/31/453345531.db2.gz BGUAKEYCZGWPIG-MRXNPFEDSA-N 1 0 338.407 3.440 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cc1Cc1c(C)noc1C ZINC000012188264 453350689 /nfs/dbraw/zinc/35/06/89/453350689.db2.gz IBMUQVSENUPZIY-ORAYPTAESA-N 1 0 344.455 3.094 40 0 EGABRO C[C@H]([NH2+]Cc1ccc(OCCO)cc1)c1ccc2c(c1)OCCCO2 ZINC000012238322 453352692 /nfs/dbraw/zinc/35/26/92/453352692.db2.gz OQNSEWRJXJDPFQ-HNNXBMFYSA-N 1 0 343.423 3.070 40 0 EGABRO Cc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012292156 453354128 /nfs/dbraw/zinc/35/41/28/453354128.db2.gz XDOOTOYTIXKVAN-IBGZPJMESA-N 1 0 329.415 3.151 40 0 EGABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1cn(CC)c2ccccc12 ZINC000012362837 453356655 /nfs/dbraw/zinc/35/66/55/453356655.db2.gz TUXCUGBKDCLIQE-QGZVFWFLSA-N 1 0 327.472 3.194 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1cccc(C)c1 ZINC000013632105 453477066 /nfs/dbraw/zinc/47/70/66/453477066.db2.gz GOBTYRVSKNMOGR-SFHVURJKSA-N 1 0 338.517 3.069 40 0 EGABRO Cc1ccc([C@@H](O)C[NH+]2CCC(Oc3cccnc3)CC2)c(C)c1 ZINC000019132384 453654005 /nfs/dbraw/zinc/65/40/05/453654005.db2.gz LGCFFFCOYDXPAA-FQEVSTJZSA-N 1 0 326.440 3.275 40 0 EGABRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc2cc[nH]c21 ZINC000089393705 454143852 /nfs/dbraw/zinc/14/38/52/454143852.db2.gz FFGBFGWKRHYSIU-UHFFFAOYSA-N 1 0 334.423 3.209 40 0 EGABRO C[C@H]1C[C@@H](OC[C@H](O)C[N@H+](CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000095532672 454230806 /nfs/dbraw/zinc/23/08/06/454230806.db2.gz FKQLTXLKHRPMII-DFQSSKMNSA-N 1 0 349.515 3.073 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)s1 ZINC000096047797 454270020 /nfs/dbraw/zinc/27/00/20/454270020.db2.gz UOMVEPXDFWEPHA-OAHLLOKOSA-N 1 0 331.485 3.329 40 0 EGABRO Fc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047645 454270226 /nfs/dbraw/zinc/27/02/26/454270226.db2.gz VFYGVLVBNRIIJU-LPHOPBHVSA-N 1 0 345.393 3.205 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)s1 ZINC000096047154 454270448 /nfs/dbraw/zinc/27/04/48/454270448.db2.gz QPHAXXMFGXZOMX-SFHVURJKSA-N 1 0 328.485 3.339 40 0 EGABRO c1ccc(CO[C@H]2COC3(C2)CC[NH+](CC2CCOCC2)CC3)cc1 ZINC000096047870 454270791 /nfs/dbraw/zinc/27/07/91/454270791.db2.gz PYXZKFDGIZQFAA-HXUWFJFHSA-N 1 0 345.483 3.253 40 0 EGABRO O=C1CCC2(CC[NH+](Cc3ccccn3)CC2)N1Cc1ccccc1 ZINC000096049420 454271805 /nfs/dbraw/zinc/27/18/05/454271805.db2.gz XXZFJVQXDSOYPQ-UHFFFAOYSA-N 1 0 335.451 3.239 40 0 EGABRO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccoc1)CC2 ZINC000096051576 454272878 /nfs/dbraw/zinc/27/28/78/454272878.db2.gz JETXWKFNGLGHRN-QGZVFWFLSA-N 1 0 328.412 3.389 40 0 EGABRO COC[C@H]1C[N@H+](CC2CCOCC2)Cc2cn(CC3CCCC3)nc21 ZINC000096059999 454275818 /nfs/dbraw/zinc/27/58/18/454275818.db2.gz OTIFKQXQXCEPTF-LJQANCHMSA-N 1 0 347.503 3.046 40 0 EGABRO Cn1cc(C[N@@H+]2CCCC23CCN(c2ccccc2F)CC3)cn1 ZINC000096075334 454280203 /nfs/dbraw/zinc/28/02/03/454280203.db2.gz FIERFYNURIGOBS-UHFFFAOYSA-N 1 0 328.435 3.194 40 0 EGABRO COc1cccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c1 ZINC000096106627 454285099 /nfs/dbraw/zinc/28/50/99/454285099.db2.gz ZBMJLULNFAJBQH-LJQANCHMSA-N 1 0 331.456 3.245 40 0 EGABRO COc1ccc(CC(=O)N2CCC3(CC([NH+]4CCCC4)C3)CC2)cc1 ZINC000096159228 454295433 /nfs/dbraw/zinc/29/54/33/454295433.db2.gz UVSLOIFGAZCQGY-UHFFFAOYSA-N 1 0 342.483 3.105 40 0 EGABRO Cc1cnc(N2CCC3(CC([N@H+](C)Cc4ccccn4)C3)CC2)nc1 ZINC000096159264 454295699 /nfs/dbraw/zinc/29/56/99/454295699.db2.gz LDMGIICPVSAYMG-UHFFFAOYSA-N 1 0 337.471 3.061 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)o1 ZINC000096186115 454299284 /nfs/dbraw/zinc/29/92/84/454299284.db2.gz SKUBXAAHNKPYCJ-FHWLQOOXSA-N 1 0 328.412 3.184 40 0 EGABRO Cc1nc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccc(C)n2)cs1 ZINC000096184741 454300030 /nfs/dbraw/zinc/30/00/30/454300030.db2.gz PFTPJMUKBMQMGZ-ZWKOTPCHSA-N 1 0 328.485 3.004 40 0 EGABRO Cc1ncc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)s1 ZINC000090401223 454301080 /nfs/dbraw/zinc/30/10/80/454301080.db2.gz SCDANNFCYZSZIO-PBHICJAKSA-N 1 0 331.485 3.176 40 0 EGABRO c1coc(C[N@H+]2CCC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)c1 ZINC000096206204 454304159 /nfs/dbraw/zinc/30/41/59/454304159.db2.gz HOLGKOVVJFXDBI-OALUTQOASA-N 1 0 328.412 3.015 40 0 EGABRO Cc1ncsc1C[N@@H+]1CC[C@]2(C1)C[C@H](Nc1ccccn1)CCO2 ZINC000096205966 454304272 /nfs/dbraw/zinc/30/42/72/454304272.db2.gz QFUJNZILBSMKKM-CRAIPNDOSA-N 1 0 344.484 3.082 40 0 EGABRO COC[C@@H]1CCC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)[N@@H+]1C ZINC000096215844 454305352 /nfs/dbraw/zinc/30/53/52/454305352.db2.gz JIHFXEYEIZUMTE-INIZCTEOSA-N 1 0 336.863 3.055 40 0 EGABRO c1cc(C[NH+]2CCC3(CO[C@H](COCc4ccccn4)C3)CC2)co1 ZINC000096218306 454307908 /nfs/dbraw/zinc/30/79/08/454307908.db2.gz BCLMPLUKIZPTHV-IBGZPJMESA-N 1 0 342.439 3.263 40 0 EGABRO C[N@H+](CCOc1ccccc1F)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000078736580 454309617 /nfs/dbraw/zinc/30/96/17/454309617.db2.gz ATKJRVYSHWFKSK-GOSISDBHSA-N 1 0 342.414 3.332 40 0 EGABRO C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](F)[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096241263 454311867 /nfs/dbraw/zinc/31/18/67/454311867.db2.gz ZLKROWIWYVFQCQ-VKZRIFJHSA-N 1 0 336.476 3.167 40 0 EGABRO Cc1cccc(C[NH+]2CCC3(C=C[C@@H](N4CCOCC4)CC3)CC2)n1 ZINC000096240269 454312103 /nfs/dbraw/zinc/31/21/03/454312103.db2.gz VWQSVLRIYQVYLY-HXUWFJFHSA-N 1 0 341.499 3.023 40 0 EGABRO c1csc(N2CCC([NH2+]Cc3ccnc(OC4CCC4)c3)CC2)n1 ZINC000090912188 454350303 /nfs/dbraw/zinc/35/03/03/454350303.db2.gz JVMJQSUXQIFJCM-UHFFFAOYSA-N 1 0 344.484 3.228 40 0 EGABRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1 ZINC000096453144 454356275 /nfs/dbraw/zinc/35/62/75/454356275.db2.gz QONWZPGPJARJKS-INIZCTEOSA-N 1 0 332.492 3.337 40 0 EGABRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](C[C@H](O)COC(C)(C)C)C3)nc2c1 ZINC000096490644 454368435 /nfs/dbraw/zinc/36/84/35/454368435.db2.gz XKOYWPCBIOFVOA-CVEARBPZSA-N 1 0 345.487 3.227 40 0 EGABRO COc1ccc([C@H](C)[NH2+]Cc2cnn(C)c2C(F)(F)F)cc1F ZINC000096490810 454368768 /nfs/dbraw/zinc/36/87/68/454368768.db2.gz VASDNWAZYWWHGX-VIFPVBQESA-N 1 0 331.313 3.437 40 0 EGABRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)C[C@@H]2C=CCC2)C1 ZINC000097372881 454434924 /nfs/dbraw/zinc/43/49/24/454434924.db2.gz NSNNDSHERLTDDG-OAHLLOKOSA-N 1 0 328.456 3.110 40 0 EGABRO Cc1c(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cccc1OC(F)F ZINC000102716471 454517645 /nfs/dbraw/zinc/51/76/45/454517645.db2.gz SMWFFJHVZXVXJW-ZDUSSCGKSA-N 1 0 337.370 3.074 40 0 EGABRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C(C)C ZINC000191285562 455474824 /nfs/dbraw/zinc/47/48/24/455474824.db2.gz KVEZFVINHICKCP-DZGCQCFKSA-N 1 0 336.480 3.432 40 0 EGABRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000127758811 454994891 /nfs/dbraw/zinc/99/48/91/454994891.db2.gz RRLTVFNIJTWRHW-JQWIXIFHSA-N 1 0 343.240 3.250 40 0 EGABRO CCC[C@@H]([NH2+][C@H](C)c1c[nH]nc1C)C(=O)N1CCc2sccc2C1 ZINC000180407252 455164583 /nfs/dbraw/zinc/16/45/83/455164583.db2.gz BCMQNJNIUNOMKN-MLGOLLRUSA-N 1 0 346.500 3.184 40 0 EGABRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2C)C1 ZINC000191082731 455439233 /nfs/dbraw/zinc/43/92/33/455439233.db2.gz SUOJZCWQIQNWLK-CQSZACIVSA-N 1 0 328.378 3.314 40 0 EGABRO CCOC(=O)c1csc(C2CC[NH+](Cc3cccn3C)CC2)n1 ZINC000192036751 455546526 /nfs/dbraw/zinc/54/65/26/455546526.db2.gz ODZWPNMPYSQBDN-UHFFFAOYSA-N 1 0 333.457 3.038 40 0 EGABRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)NCc1ccccc1 ZINC000192051426 455548574 /nfs/dbraw/zinc/54/85/74/455548574.db2.gz MBMNNBCJRHSKAR-MJGOQNOKSA-N 1 0 344.842 3.076 40 0 EGABRO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccsc3)C[C@@H]12 ZINC000248161857 455690588 /nfs/dbraw/zinc/69/05/88/455690588.db2.gz XYEYHYGWKWWJAF-MJGOQNOKSA-N 1 0 326.465 3.236 40 0 EGABRO CN(C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000252509052 455817579 /nfs/dbraw/zinc/81/75/79/455817579.db2.gz YBSVSYSDPNQMMK-RTWAWAEBSA-N 1 0 343.515 3.036 40 0 EGABRO C[N@H+]1CC=C(CNC(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 ZINC000272041481 455829360 /nfs/dbraw/zinc/82/93/60/455829360.db2.gz OSTYVAIATOGRLF-UHFFFAOYSA-N 1 0 326.400 3.089 40 0 EGABRO C(C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)SC1CCCCC1 ZINC000253396850 455839068 /nfs/dbraw/zinc/83/90/68/455839068.db2.gz KBGKHKLBRBZTGH-HNNXBMFYSA-N 1 0 334.533 3.470 40 0 EGABRO COc1cccc2[nH]cc(CC[NH2+][C@H](c3ncc[nH]3)c3cccnc3)c21 ZINC000195113727 455922282 /nfs/dbraw/zinc/92/22/82/455922282.db2.gz GPWHTKHBWOBPHE-IBGZPJMESA-N 1 0 347.422 3.216 40 0 EGABRO COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C[C@@H]([NH3+])c3ccccc3)C2)cc1 ZINC000195544231 455982500 /nfs/dbraw/zinc/98/25/00/455982500.db2.gz DONGDOLUPYITIL-XFQXTVEOSA-N 1 0 338.451 3.490 40 0 EGABRO FC(F)(F)c1ccc(NC(=S)NCCC[NH+]2CCCC2)cc1 ZINC000225433589 456083357 /nfs/dbraw/zinc/08/33/57/456083357.db2.gz NYFAJOVHHOEMAL-UHFFFAOYSA-N 1 0 331.407 3.478 40 0 EGABRO O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)C1CC[NH2+]CC1 ZINC000225463199 456085736 /nfs/dbraw/zinc/08/57/36/456085736.db2.gz APSIKDDRIWITSQ-UHFFFAOYSA-N 1 0 346.377 3.482 40 0 EGABRO COC1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCCCCC1 ZINC000225630512 456100342 /nfs/dbraw/zinc/10/03/42/456100342.db2.gz DQRRXCOXKYLZPH-UHFFFAOYSA-N 1 0 334.460 3.305 40 0 EGABRO CCCO[C@](C)(C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000225671659 456102789 /nfs/dbraw/zinc/10/27/89/456102789.db2.gz KFJRXMMBYQXRCW-IBGZPJMESA-N 1 0 334.460 3.161 40 0 EGABRO CC[C@H](CC1CCCC1)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333347521 456205463 /nfs/dbraw/zinc/20/54/63/456205463.db2.gz ZPCVYMDZRNYKDK-QRQLOZEOSA-N 1 0 336.520 3.338 40 0 EGABRO CC[C@@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1c(C)noc1C ZINC000189188602 456250166 /nfs/dbraw/zinc/25/01/66/456250166.db2.gz NSAPUGHYSBBBFF-GOSISDBHSA-N 1 0 341.455 3.307 40 0 EGABRO Cc1ccc(C(=O)N2CCC[C@]3(CC[N@@H+]3C[C@@H]3CCCO3)C2)c(C)c1 ZINC000585102047 459824233 /nfs/dbraw/zinc/82/42/33/459824233.db2.gz OPLGIKQLYLIBCZ-RXVVDRJESA-N 1 0 342.483 3.163 40 0 EGABRO C[C@@H]1C[C@H]([N@H+](C)Cc2cc[nH]c(=O)c2)CCN1Cc1ccccc1 ZINC000585141367 459830141 /nfs/dbraw/zinc/83/01/41/459830141.db2.gz UNSFVKAQYZODTA-VQIMIIECSA-N 1 0 325.456 3.272 40 0 EGABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cnc3ccccc3c2)cc1 ZINC000585182286 459831510 /nfs/dbraw/zinc/83/15/10/459831510.db2.gz QUPZIZZFZSEQFX-HXUWFJFHSA-N 1 0 347.418 3.030 40 0 EGABRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)cc1 ZINC000585289196 459833102 /nfs/dbraw/zinc/83/31/02/459833102.db2.gz NUNJAUDNIYVZGV-PWRODBHTSA-N 1 0 341.451 3.454 40 0 EGABRO O[C@@H]1[C@@H](C[NH2+]C2CCOCC2)CCC[C@H]1Oc1ccc(Cl)cc1 ZINC000585286586 459833912 /nfs/dbraw/zinc/83/39/12/459833912.db2.gz MIEONVANYQMENK-FSPWUOQZSA-N 1 0 339.863 3.017 40 0 EGABRO C[C@H]([NH2+]Cc1ccc(Br)o1)c1ccc(-n2ccnn2)cc1 ZINC000191486951 533915187 /nfs/dbraw/zinc/91/51/87/533915187.db2.gz INBYXXPODUTJES-NSHDSACASA-N 1 0 347.216 3.474 40 0 EGABRO CC(C)n1c(Cl)nc2cc(C(=O)NCC[NH+]3CCCCC3)ccc21 ZINC000225988128 535043689 /nfs/dbraw/zinc/04/36/89/535043689.db2.gz FDKBXRFOVYKSOK-UHFFFAOYSA-N 1 0 348.878 3.486 40 0 EGABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2cccc(F)c2F)n1 ZINC000257255007 536052434 /nfs/dbraw/zinc/05/24/34/536052434.db2.gz KFSKWBQXLCLXQS-MRXNPFEDSA-N 1 0 332.398 3.154 40 0 EGABRO C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)C1CCN(c2ccccn2)CC1 ZINC000079040069 546591438 /nfs/dbraw/zinc/59/14/38/546591438.db2.gz ORSHXUHKJATBEK-AEFFLSMTSA-N 1 0 345.487 3.104 40 0 EGABRO COc1ccc(CN2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)c(OC)c1 ZINC000224085566 547246417 /nfs/dbraw/zinc/24/64/17/547246417.db2.gz GYEMFVMJQAHSIM-YQVWRLOYSA-N 1 0 342.483 3.034 40 0 EGABRO c1cc(C[NH+]2CCC3(Cc4ncc(-c5cccnc5)n4C3)CC2)co1 ZINC000306124704 547459822 /nfs/dbraw/zinc/45/98/22/547459822.db2.gz BWZDBUSGKYCVOZ-UHFFFAOYSA-N 1 0 334.423 3.377 40 0 EGABRO Fc1ccc(C[N@@H+]2C[C@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)cc1 ZINC000306129615 547460015 /nfs/dbraw/zinc/46/00/15/547460015.db2.gz IIGCIKXSOAARGS-FUHWJXTLSA-N 1 0 334.398 3.313 40 0 EGABRO CCc1ccc(O[C@H](C)C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000027741545 1291293843 /nfs/dbraw/zinc/29/38/43/1291293843.db2.gz YHXYXPAVRJPJFR-MRXNPFEDSA-N 1 0 332.488 3.397 40 0 EGABRO OCCNCC[NH2+][C@@H](Cc1ccccc1)c1cccc2ccccc21 ZINC000019365956 202005240 /nfs/dbraw/zinc/00/52/40/202005240.db2.gz FTZCAWPQOLUZRV-QFIPXVFZSA-N 1 0 334.463 3.295 40 0 EGABRO OC1(Cn2ccc3ncccc32)CC[NH+](Cc2ccccc2F)CC1 ZINC000019348850 202005301 /nfs/dbraw/zinc/00/53/01/202005301.db2.gz DRQDFGKJTBPPOU-UHFFFAOYSA-N 1 0 339.414 3.203 40 0 EGABRO Clc1ccccc1CN1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019349348 202005664 /nfs/dbraw/zinc/00/56/64/202005664.db2.gz QPJMWFNXOIBNRF-QGZVFWFLSA-N 1 0 328.847 3.113 40 0 EGABRO CCC[C@@H](C(=O)NC(C)(C)C[NH+]1CCC(C)CC1)n1nc(C)cc1C ZINC000019501806 202008079 /nfs/dbraw/zinc/00/80/79/202008079.db2.gz AJKSMJIZIHPYDV-SFHVURJKSA-N 1 0 348.535 3.468 40 0 EGABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000019575928 202013922 /nfs/dbraw/zinc/01/39/22/202013922.db2.gz XNIGATOWDBZRCB-RRFJBIMHSA-N 1 0 346.858 3.239 40 0 EGABRO CCc1c(C)n(CC[NH+]2CCCCC2)c2nc3ccccc3n2c1=O ZINC000020798406 202055512 /nfs/dbraw/zinc/05/55/12/202055512.db2.gz XJCOTZSJQQQJAI-UHFFFAOYSA-N 1 0 338.455 3.006 40 0 EGABRO O=C(NCc1cccs1)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038489585 202137198 /nfs/dbraw/zinc/13/71/98/202137198.db2.gz MGMFJJLOJLCUNP-UHFFFAOYSA-N 1 0 333.457 3.053 40 0 EGABRO CC1CC[NH+](CCCNC(=O)c2cc3ccccc3cc2O)CC1 ZINC000028067758 202164651 /nfs/dbraw/zinc/16/46/51/202164651.db2.gz QCLRINHKNHYRLS-UHFFFAOYSA-N 1 0 326.440 3.397 40 0 EGABRO C[C@H]1C[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@H](C)O1 ZINC000036003881 202312264 /nfs/dbraw/zinc/31/22/64/202312264.db2.gz BTEPOPVDLPKRBZ-ULQDDVLXSA-N 1 0 338.451 3.265 40 0 EGABRO CCOCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000078611597 202398135 /nfs/dbraw/zinc/39/81/35/202398135.db2.gz FKQMWRRZCCSKJK-INIZCTEOSA-N 1 0 331.460 3.362 40 0 EGABRO O=C(C1CC[NH+](CCOC2CCCCCC2)CC1)N1CCCCC1 ZINC000077271557 202391621 /nfs/dbraw/zinc/39/16/21/202391621.db2.gz GEKIRVCLYJDOKB-UHFFFAOYSA-N 1 0 336.520 3.450 40 0 EGABRO CC(C)[NH+]1CCC(C(=O)Nc2ccc(Cl)c(CN(C)C)c2)CC1 ZINC000330032477 201362628 /nfs/dbraw/zinc/36/26/28/201362628.db2.gz NWCZNRHJGOWMGY-UHFFFAOYSA-N 1 0 337.895 3.461 40 0 EGABRO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]CCCOC[C@H]1CCOC1 ZINC000158248089 201403825 /nfs/dbraw/zinc/40/38/25/201403825.db2.gz KRSBJZVPLLWXLK-SJLPKXTDSA-N 1 0 331.456 3.466 40 0 EGABRO Cc1ccc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)cc1C ZINC000225212775 241810449 /nfs/dbraw/zinc/81/04/49/241810449.db2.gz WKPINPHQIFPROD-UHFFFAOYSA-N 1 0 347.528 3.233 40 0 EGABRO O=C(c1cc(C2CCCCC2)no1)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257236596 244230250 /nfs/dbraw/zinc/23/02/50/244230250.db2.gz HCXHTIGSAIBDMX-DOTOQJQBSA-N 1 0 331.460 3.327 40 0 EGABRO O=C(C1CCC1)N1C[C@@H]2CCCC[N@H+](CCc3ccccc3)[C@@H]2C1 ZINC000072330627 203202694 /nfs/dbraw/zinc/20/26/94/203202694.db2.gz ZHZCGTGEXACKRL-VQTJNVASSA-N 1 0 326.484 3.342 40 0 EGABRO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CC[NH2+]C1 ZINC000072391942 203213023 /nfs/dbraw/zinc/21/30/23/203213023.db2.gz CBPVXKQQOXNZRL-IBGZPJMESA-N 1 0 328.481 3.462 40 0 EGABRO Fc1cccc(-c2ncnc3c2CC[N@H+](Cc2cccnc2)CC3)c1 ZINC000096187647 203856061 /nfs/dbraw/zinc/85/60/61/203856061.db2.gz YTUDBSXUZOQOHC-UHFFFAOYSA-N 1 0 334.398 3.279 40 0 EGABRO CC(C)c1ccc([C@H](CNC(=O)c2csnn2)[NH+]2CCCC2)cc1 ZINC000041154510 204008443 /nfs/dbraw/zinc/00/84/43/204008443.db2.gz BWFRODFZSQRSDP-KRWDZBQOSA-N 1 0 344.484 3.228 40 0 EGABRO Cc1nnc([C@@]23CCO[C@@H]2CC[N@H+](Cc2cccc4ccccc42)C3)o1 ZINC000107710507 204245261 /nfs/dbraw/zinc/24/52/61/204245261.db2.gz YIYVQBGXGQGTSS-TZIWHRDSSA-N 1 0 349.434 3.464 40 0 EGABRO COc1ccccc1C[NH+]1CCC2(CCC(=O)N(CC3CC3)C2)CC1 ZINC000108529873 204265980 /nfs/dbraw/zinc/26/59/80/204265980.db2.gz UDISHRJBJHCAMP-UHFFFAOYSA-N 1 0 342.483 3.310 40 0 EGABRO O=C(N[C@H](c1ccco1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000045153471 204315850 /nfs/dbraw/zinc/31/58/50/204315850.db2.gz SGVAACHYVQICOE-IBGZPJMESA-N 1 0 339.439 3.295 40 0 EGABRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000137324702 223691219 /nfs/dbraw/zinc/69/12/19/223691219.db2.gz FTUMFSBCSXAMAD-AWEZNQCLSA-N 1 0 334.508 3.244 40 0 EGABRO CCc1ccc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000159101946 206225701 /nfs/dbraw/zinc/22/57/01/206225701.db2.gz ZGEFOYXJBASSHQ-CQSZACIVSA-N 1 0 349.450 3.011 40 0 EGABRO COc1ccc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)s1 ZINC000093321503 218215138 /nfs/dbraw/zinc/21/51/38/218215138.db2.gz MPEUUGZADDTCLK-UHFFFAOYSA-N 1 0 336.501 3.418 40 0 EGABRO FC(F)(F)CN1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)C1 ZINC000095420998 218362121 /nfs/dbraw/zinc/36/21/21/218362121.db2.gz KFUKSQNHQYUDPH-IRXDYDNUSA-N 1 0 335.373 3.397 40 0 EGABRO C[S@](=O)Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177724374 207384478 /nfs/dbraw/zinc/38/44/78/207384478.db2.gz IQROQMFFYTUFCQ-GYCJOSAFSA-N 1 0 348.512 3.158 40 0 EGABRO Cc1cc(C)n(Cc2cccc(NC(=O)N[C@H](C)CC[NH+](C)C)c2)n1 ZINC000096434771 218812458 /nfs/dbraw/zinc/81/24/58/218812458.db2.gz RLZAGGHAYMMXAM-CQSZACIVSA-N 1 0 343.475 3.010 40 0 EGABRO CN(C)[C@H](C[NH2+]C1CCN(CC(F)F)CC1)c1ccc(Cl)cc1 ZINC000096478901 218855458 /nfs/dbraw/zinc/85/54/58/218855458.db2.gz ZPSHTPJADUXCMJ-MRXNPFEDSA-N 1 0 345.865 3.262 40 0 EGABRO C[C@H](O)C[NH2+]CCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000038240427 257854878 /nfs/dbraw/zinc/85/48/78/257854878.db2.gz ALKUVWBBKJFPKD-NSHDSACASA-N 1 0 343.254 3.313 40 0 EGABRO COCCN1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096078780 274025700 /nfs/dbraw/zinc/02/57/00/274025700.db2.gz JTMOGYPUNYBPRB-UHFFFAOYSA-N 1 0 326.440 3.280 40 0 EGABRO Cc1csc([C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C2CC2)n1 ZINC000074667083 293051261 /nfs/dbraw/zinc/05/12/61/293051261.db2.gz CBQHJYSJRUVNLC-HOTGVXAUSA-N 1 0 348.516 3.172 40 0 EGABRO COc1ccc2c(c1OC)[C@@]1(CC[NH+](C)C)C[C@H](O)CC[C@@H]1C=C2 ZINC000005120737 295277872 /nfs/dbraw/zinc/27/78/72/295277872.db2.gz DZSOVMFSBOCQJV-YRNRMSPPSA-N 1 0 331.456 3.081 40 0 EGABRO CCN(CC)Cc1nc(C2(O)CC[NH+](CC(C)(C)C)CC2)cs1 ZINC000225421193 456081022 /nfs/dbraw/zinc/08/10/22/456081022.db2.gz KGCQRGUOYOFXQE-UHFFFAOYSA-N 1 0 339.549 3.314 40 0 biogenic,in-vitro EGABRO C[C@H]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H](c2ccco2)C1 ZINC000097099178 323214576 /nfs/dbraw/zinc/21/45/76/323214576.db2.gz YMWJSNXPNPLHKF-GJZGRUSLSA-N 1 0 345.447 3.043 40 0 EGABRO O=C(Nc1ccc2c(c1)COC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000097103688 323215107 /nfs/dbraw/zinc/21/51/07/323215107.db2.gz BAPFSOJDFZWJBQ-OAHLLOKOSA-N 1 0 329.444 3.057 40 0 EGABRO Cn1cc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c(-c2cccnc2)n1 ZINC000189587970 455220860 /nfs/dbraw/zinc/22/08/60/455220860.db2.gz TWFXFQSSVQPJJN-QGZVFWFLSA-N 1 0 338.386 3.235 40 0 EGABRO C[N@@H+]1CCc2ncnc(Sc3ncc(-c4ccc(F)cc4)o3)c2C1 ZINC000240626646 455264675 /nfs/dbraw/zinc/26/46/75/455264675.db2.gz HIIZDOBXGUNQSL-UHFFFAOYSA-N 1 0 342.399 3.410 40 0 EGABRO C[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](c1ccccc1)C1(O)CCCCC1 ZINC000004962058 452827225 /nfs/dbraw/zinc/82/72/25/452827225.db2.gz UNEGQFUYGINFAB-QZTJIDSGSA-N 1 0 331.456 3.103 40 0 EGABRO CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000005015201 452831117 /nfs/dbraw/zinc/83/11/17/452831117.db2.gz UGVMNLSNLCCYPZ-OAHLLOKOSA-N 1 0 345.850 3.122 40 0 EGABRO CC(C)[NH2+]C[C@H](O)c1cc(Br)c(Br)s1 ZINC000005962942 452913116 /nfs/dbraw/zinc/91/31/16/452913116.db2.gz CRGXEUWJDDLZSP-ZETCQYMHSA-N 1 0 343.084 3.305 40 0 EGABRO O=S(=O)(CC[N@H+]1CC=C(c2ccccc2)CC1)Oc1ccccc1 ZINC000007650893 453097910 /nfs/dbraw/zinc/09/79/10/453097910.db2.gz JCKYVASWRFEQME-UHFFFAOYSA-N 1 0 343.448 3.185 40 0 EGABRO Clc1cccc(C[NH+]2CCC(c3[nH]nc4nccnc43)CC2)c1 ZINC000012228315 453350947 /nfs/dbraw/zinc/35/09/47/453350947.db2.gz QNJGEPZZIAUROR-UHFFFAOYSA-N 1 0 327.819 3.386 40 0 EGABRO CCn1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c1C ZINC000012276750 453354258 /nfs/dbraw/zinc/35/42/58/453354258.db2.gz NTPGRBZWAYBJHP-YOFSQIOKSA-N 1 0 343.446 3.365 40 0 EGABRO O=c1[nH]c2cc3c(cc2cc1C[NH2+]Cc1ccc(Cl)cc1)OCO3 ZINC000013566537 453470283 /nfs/dbraw/zinc/47/02/83/453470283.db2.gz RQAPFVZPBCJBQM-UHFFFAOYSA-N 1 0 342.782 3.200 40 0 EGABRO O=C(NCC[NH+]1CCCCC1)Nc1c[nH]c2c(Cl)cccc2c1=O ZINC000013565999 453470567 /nfs/dbraw/zinc/47/05/67/453470567.db2.gz PRUIONNGAHDIFX-UHFFFAOYSA-N 1 0 348.834 3.201 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c(OC)cccc1OC ZINC000013647426 453478765 /nfs/dbraw/zinc/47/87/65/453478765.db2.gz KZNNJIPITKJPJU-HNNXBMFYSA-N 1 0 334.460 3.088 40 0 EGABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4ccccc4F)C3)cc(N)n2n1 ZINC000019129321 453654505 /nfs/dbraw/zinc/65/45/05/453654505.db2.gz BLVQRZJTILOHOJ-OAHLLOKOSA-N 1 0 339.418 3.139 40 0 EGABRO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@@H+]2Cc1c(C)nc2ccccn21 ZINC000019712329 453658457 /nfs/dbraw/zinc/65/84/57/453658457.db2.gz QAKNAOGXDYZKDM-ZWKOTPCHSA-N 1 0 340.471 3.008 40 0 EGABRO C[N@@H+]1CCCC[C@H]1C1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000019746573 453659502 /nfs/dbraw/zinc/65/95/02/453659502.db2.gz DLSKXDZYAPGJJG-KRWDZBQOSA-N 1 0 344.484 3.028 40 0 EGABRO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000085468201 454030098 /nfs/dbraw/zinc/03/00/98/454030098.db2.gz YSHFTKXIEHZZJP-SFHVURJKSA-N 1 0 349.563 3.221 40 0 EGABRO CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCc2ccccc21 ZINC000095413943 454205738 /nfs/dbraw/zinc/20/57/38/454205738.db2.gz GMYMFWXGMSIVJE-RTBURBONSA-N 1 0 335.513 3.396 40 0 EGABRO c1coc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)c1 ZINC000096040170 454267106 /nfs/dbraw/zinc/26/71/06/454267106.db2.gz ISHJGZWJLXIHDY-WOJBJXKFSA-N 1 0 342.439 3.263 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)s1 ZINC000096048348 454270828 /nfs/dbraw/zinc/27/08/28/454270828.db2.gz FUAIWKUUBZCLAW-YJBOKZPZSA-N 1 0 344.484 3.082 40 0 EGABRO c1csc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1 ZINC000096047884 454271724 /nfs/dbraw/zinc/27/17/24/454271724.db2.gz ALKZDFVDCKJXCM-MRXNPFEDSA-N 1 0 330.453 3.346 40 0 EGABRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]2CCCO[C@H]12 ZINC000096057141 454274294 /nfs/dbraw/zinc/27/42/94/454274294.db2.gz OFSBZZDIWYTSBN-UHOSZYNNSA-N 1 0 346.496 3.453 40 0 EGABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccccn3)C[C@@H]21 ZINC000096058331 454276562 /nfs/dbraw/zinc/27/65/62/454276562.db2.gz ZFPVESFRVKPGBP-BJLQDIEVSA-N 1 0 335.451 3.332 40 0 EGABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccsc3)C[C@H]12 ZINC000096058430 454277037 /nfs/dbraw/zinc/27/70/37/454277037.db2.gz XYEYHYGWKWWJAF-PKOBYXMFSA-N 1 0 326.465 3.236 40 0 EGABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(CCN(c4ccccn4)C3)C2)s1 ZINC000096062464 454278522 /nfs/dbraw/zinc/27/85/22/454278522.db2.gz RNBRFSVBWVBMBL-LJQANCHMSA-N 1 0 343.496 3.180 40 0 EGABRO CCOC[C@H]1COCCC12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000096106419 454284964 /nfs/dbraw/zinc/28/49/64/454284964.db2.gz HYIWHGIPJOKTOR-SFHVURJKSA-N 1 0 333.472 3.350 40 0 EGABRO Fc1ccc(-c2cnc3n2C[C@H](C[NH2+]Cc2ccccc2)OC3)cc1 ZINC000096112931 454287603 /nfs/dbraw/zinc/28/76/03/454287603.db2.gz UIGBZHOOXYIOEB-SFHVURJKSA-N 1 0 337.398 3.378 40 0 biogenic,in-vitro EGABRO c1csc(C[N@H+]2CCc3ncc(CNc4ccccn4)n3CC2)c1 ZINC000096197103 454301732 /nfs/dbraw/zinc/30/17/32/454301732.db2.gz QWZIBFAFNIEOCY-UHFFFAOYSA-N 1 0 339.468 3.010 40 0 EGABRO CCc1ccc(C[NH+]2CCC3(CN(c4cccnc4)C3=O)CC2)cc1 ZINC000096202957 454302168 /nfs/dbraw/zinc/30/21/68/454302168.db2.gz VYEJBOXMHRSDPA-UHFFFAOYSA-N 1 0 335.451 3.273 40 0 EGABRO Cc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)C[C@@H](N2CCCC2=O)CCO3)c1 ZINC000096208706 454305362 /nfs/dbraw/zinc/30/53/62/454305362.db2.gz UVVMTLVBMLMBHX-PZJWPPBQSA-N 1 0 342.483 3.049 40 0 EGABRO c1ncn2c1C[N@H+](CCc1ccccc1)C[C@H](COc1cccnc1)C2 ZINC000096209345 454305601 /nfs/dbraw/zinc/30/56/01/454305601.db2.gz ZJMGXAZFTVAGDT-IBGZPJMESA-N 1 0 348.450 3.032 40 0 EGABRO c1csc(C[N@H+]2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3CC2)c1 ZINC000096249414 454311804 /nfs/dbraw/zinc/31/18/04/454311804.db2.gz IBNKLVUTHRZENJ-OALUTQOASA-N 1 0 343.496 3.009 40 0 EGABRO CCC[C@H]([NH2+]Cc1cccc(O)c1)C(=O)N1CCc2sccc2C1 ZINC000096403573 454322245 /nfs/dbraw/zinc/32/22/45/454322245.db2.gz RXBDOPMGAYVLTN-KRWDZBQOSA-N 1 0 344.480 3.297 40 0 EGABRO Cc1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)s1 ZINC000096408502 454326028 /nfs/dbraw/zinc/32/60/28/454326028.db2.gz CYBCNFUPKJPREX-UHFFFAOYSA-N 1 0 339.848 3.298 40 0 EGABRO O=C(NCc1ccco1)C1CC[NH+](CCSc2ccccc2)CC1 ZINC000096410317 454328693 /nfs/dbraw/zinc/32/86/93/454328693.db2.gz JJZLBOKIGGZBAE-UHFFFAOYSA-N 1 0 344.480 3.400 40 0 EGABRO CC(C)[C@H](C(=O)N1CCC[N@@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000096431176 454342265 /nfs/dbraw/zinc/34/22/65/454342265.db2.gz HTOGRIHNTALESU-FQEVSTJZSA-N 1 0 344.499 3.140 40 0 EGABRO CCS[C@H]1CC[C@@H]([N@H+](C)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000096443554 454351527 /nfs/dbraw/zinc/35/15/27/454351527.db2.gz RHKXBQKADZSMCO-KGLIPLIRSA-N 1 0 331.485 3.072 40 0 EGABRO O=C(CSCc1ccccn1)Nc1c[nH+]ccc1N1CCCCC1 ZINC000079041062 454359137 /nfs/dbraw/zinc/35/91/37/454359137.db2.gz NSKRYIOEKHGIHW-UHFFFAOYSA-N 1 0 342.468 3.339 40 0 EGABRO COc1ccc(CC[N@H+](C)Cc2cnc3ccccn23)cc1OC ZINC000096468406 454360071 /nfs/dbraw/zinc/36/00/71/454360071.db2.gz LKTOJJMAAQAERU-UHFFFAOYSA-N 1 0 325.412 3.026 40 0 EGABRO CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CCc4nc(C)nn4C3)oc21 ZINC000096493384 454370096 /nfs/dbraw/zinc/37/00/96/454370096.db2.gz ZMXBBGGDQWLBON-SWLSCSKDSA-N 1 0 340.427 3.397 40 0 EGABRO C[NH+]1CCC(NC(=S)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000063147675 454395039 /nfs/dbraw/zinc/39/50/39/454395039.db2.gz HCRMZZRQWWAVFN-UHFFFAOYSA-N 1 0 333.501 3.389 40 0 EGABRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C[C@H]1CCc2ccccc21 ZINC000079361777 454401896 /nfs/dbraw/zinc/40/18/96/454401896.db2.gz SGCBCNUGFTYZSZ-GOSISDBHSA-N 1 0 337.467 3.092 40 0 EGABRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1C(F)(F)F)C2 ZINC000063527623 454421685 /nfs/dbraw/zinc/42/16/85/454421685.db2.gz DSUASNYEKBIOLK-MRXNPFEDSA-N 1 0 326.362 3.263 40 0 EGABRO Cc1c(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cccc1OC(F)F ZINC000102716474 454517676 /nfs/dbraw/zinc/51/76/76/454517676.db2.gz SMWFFJHVZXVXJW-CYBMUJFWSA-N 1 0 337.370 3.074 40 0 EGABRO C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000080086829 454531158 /nfs/dbraw/zinc/53/11/58/454531158.db2.gz OWQNMEZCTUYOIS-CABCVRRESA-N 1 0 346.446 3.168 40 0 EGABRO c1cnn(-c2ccccc2C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000092661248 454603680 /nfs/dbraw/zinc/60/36/80/454603680.db2.gz LLGGLTLWFACTSM-LJQANCHMSA-N 1 0 341.455 3.032 40 0 EGABRO CC1(C)CC(NC(=O)CCc2ccc(O)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000161575619 454704443 /nfs/dbraw/zinc/70/44/43/454704443.db2.gz QHDZPVXDMAUHRA-UHFFFAOYSA-N 1 0 338.879 3.404 40 0 EGABRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000110636251 454850362 /nfs/dbraw/zinc/85/03/62/454850362.db2.gz NYZQYVUBBAZJFI-HQRMLTQVSA-N 1 0 344.499 3.184 40 0 EGABRO COc1cc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)ccc1F ZINC000154622567 454913518 /nfs/dbraw/zinc/91/35/18/454913518.db2.gz UFVNWNDYLFRUBX-UHFFFAOYSA-N 1 0 346.402 3.164 40 0 EGABRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(Br)cc1F ZINC000127507124 454971603 /nfs/dbraw/zinc/97/16/03/454971603.db2.gz OWLNPRLSFIEJBZ-RNCFNFMXSA-N 1 0 334.254 3.107 40 0 EGABRO C[C@@H](CC(=O)c1ccco1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000155353717 454990305 /nfs/dbraw/zinc/99/03/05/454990305.db2.gz TUJPXSYSSWZVQH-GJZGRUSLSA-N 1 0 332.444 3.012 40 0 EGABRO CCC[C@H]([NH2+][C@H](C)c1c[nH]nc1C)C(=O)N1CCc2sccc2C1 ZINC000180407230 455164623 /nfs/dbraw/zinc/16/46/23/455164623.db2.gz BCMQNJNIUNOMKN-WBMJQRKESA-N 1 0 346.500 3.184 40 0 EGABRO O[C@@H](COCc1ccco1)C[N@@H+]1CCc2sccc2[C@H]1C1CC1 ZINC000245237584 455281750 /nfs/dbraw/zinc/28/17/50/455281750.db2.gz OPXFGKBQAYKWLB-RDTXWAMCSA-N 1 0 333.453 3.228 40 0 EGABRO CC(=O)NC1CCC([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC1 ZINC000161548326 455579877 /nfs/dbraw/zinc/57/98/77/455579877.db2.gz WWROLFKLPSXHNS-OFLPRAFFSA-N 1 0 349.906 3.346 40 0 EGABRO O[C@]1(c2cccnc2)CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC000248071517 455677818 /nfs/dbraw/zinc/67/78/18/455677818.db2.gz YHQYVBJFVDONSK-DJKXOVBDSA-N 1 0 344.405 3.480 40 0 EGABRO COCCO[C@@H]1CC[N@H+](Cc2ccc(C)s2)[C@H]1Cc1ccncc1 ZINC000248104329 455681732 /nfs/dbraw/zinc/68/17/32/455681732.db2.gz OQYRSPVOYNWELP-RBUKOAKNSA-N 1 0 346.496 3.300 40 0 EGABRO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)c1ccc(F)c(F)c1 ZINC000252477201 455806361 /nfs/dbraw/zinc/80/63/61/455806361.db2.gz JYVBIANUDPQQSD-ADOMEBDSSA-N 1 0 349.425 3.152 40 0 EGABRO CC(=O)NC[C@@H]1CCC[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000194439916 455842469 /nfs/dbraw/zinc/84/24/69/455842469.db2.gz GRLXNWHCTPSIDR-AWEZNQCLSA-N 1 0 329.271 3.384 40 0 EGABRO Fc1ccc(C[NH+]2CCC3(CO[C@@H](Cc4cncnc4)C3)CC2)cc1 ZINC000257294537 455885617 /nfs/dbraw/zinc/88/56/17/455885617.db2.gz QUPPKIWTQQSZLN-IBGZPJMESA-N 1 0 341.430 3.230 40 0 EGABRO COc1ccc(C(=O)N2CCC[C@H]2c2cccc(C[NH+](C)C)n2)cc1 ZINC000257304558 455886321 /nfs/dbraw/zinc/88/63/21/455886321.db2.gz SMESGFGQBOBBCE-IBGZPJMESA-N 1 0 339.439 3.129 40 0 EGABRO Cc1nc(C[N@H+]2CCC[C@@H](Cc3cnc(N(C)C)cn3)CC2)cs1 ZINC000257312595 455889229 /nfs/dbraw/zinc/88/92/29/455889229.db2.gz UOSMMRRHNWMMJS-OAHLLOKOSA-N 1 0 345.516 3.152 40 0 EGABRO CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCC[N@@H+]2Cc1cccnc1 ZINC000257333254 455894724 /nfs/dbraw/zinc/89/47/24/455894724.db2.gz YAVQNDSJOYCAFV-FKBYEOEOSA-N 1 0 349.478 3.451 40 0 EGABRO CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c(O)c1 ZINC000195546788 455982728 /nfs/dbraw/zinc/98/27/28/455982728.db2.gz YROCVBBXKXSISH-MAUKXSAKSA-N 1 0 347.503 3.041 40 0 EGABRO O=C(COC[C@@H]1CCC[NH2+]C1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000195549477 455983630 /nfs/dbraw/zinc/98/36/30/455983630.db2.gz DSIPRVGUEPDLDJ-OAHLLOKOSA-N 1 0 336.435 3.213 40 0 EGABRO COc1ccc([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cc1C ZINC000195558094 455985465 /nfs/dbraw/zinc/98/54/65/455985465.db2.gz ZARGDHWMRRMLIS-OAHLLOKOSA-N 1 0 326.444 3.113 40 0 EGABRO O=C(CC[NH2+]Cc1sccc1Br)NC1CCCC1 ZINC000195564507 455986425 /nfs/dbraw/zinc/98/64/25/455986425.db2.gz NINLPSCZWWPZHN-UHFFFAOYSA-N 1 0 331.279 3.049 40 0 EGABRO COc1ccccc1N1CCC[C@@H]([NH2+][C@H](C)c2cnn(C)c2C)C1 ZINC000221347348 456041800 /nfs/dbraw/zinc/04/18/00/456041800.db2.gz STZJFBOMRWTQRE-GDBMZVCRSA-N 1 0 328.460 3.057 40 0 EGABRO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC[NH+]1CCCCCC1 ZINC000224987979 456071039 /nfs/dbraw/zinc/07/10/39/456071039.db2.gz HXBQXXNPKIASEF-UHFFFAOYSA-N 1 0 338.879 3.490 40 0 EGABRO COc1ccccc1NC(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225576804 456094176 /nfs/dbraw/zinc/09/41/76/456094176.db2.gz RMDUYLPMHXAWNE-OAHLLOKOSA-N 1 0 349.500 3.034 40 0 EGABRO CO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1CC1 ZINC000225644267 456100563 /nfs/dbraw/zinc/10/05/63/456100563.db2.gz VQVGTJMHPPRFPS-HXUWFJFHSA-N 1 0 346.471 3.305 40 0 EGABRO O=C(c1ccc(F)cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000352713317 457551474 /nfs/dbraw/zinc/55/14/74/457551474.db2.gz SKXBUQXBOOTQHR-UHFFFAOYSA-N 1 0 338.426 3.489 40 0 EGABRO COc1ccc(C[NH+]2CC3(C2)C[C@H](Oc2cccnc2)CS3)cc1 ZINC000585104646 459824398 /nfs/dbraw/zinc/82/43/98/459824398.db2.gz KCZXSUKEQLERQR-SFHVURJKSA-N 1 0 342.464 3.229 40 0 EGABRO c1ccc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)cc1 ZINC000585105409 459825020 /nfs/dbraw/zinc/82/50/20/459825020.db2.gz WDCMEUHAWRIJCD-SFHVURJKSA-N 1 0 333.497 3.190 40 0 EGABRO CCOCC[C@@H]1CCOC12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000585105084 459825261 /nfs/dbraw/zinc/82/52/61/459825261.db2.gz PBXWTXXQCOJUOA-GOSISDBHSA-N 1 0 333.472 3.493 40 0 EGABRO C[C@H]1C[C@H]([N@H+](C)Cc2cc[nH]c(=O)c2)CCN1Cc1ccccc1 ZINC000585141366 459829652 /nfs/dbraw/zinc/82/96/52/459829652.db2.gz UNSFVKAQYZODTA-QFBILLFUSA-N 1 0 325.456 3.272 40 0 EGABRO Cc1cc(C)c(C)c(OC[C@]2(O)COCC[N@@H+](C3CCCCC3)C2)c1 ZINC000585283572 459832068 /nfs/dbraw/zinc/83/20/68/459832068.db2.gz RYNBGRNVLRJFIZ-OAQYLSRUSA-N 1 0 347.499 3.387 40 0 EGABRO CCCc1cc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)on1 ZINC000585289219 459833378 /nfs/dbraw/zinc/83/33/78/459833378.db2.gz ODSYIOMCEVDSLN-XUVXKRRUSA-N 1 0 344.455 3.386 40 0 EGABRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cc1 ZINC000585285638 459833425 /nfs/dbraw/zinc/83/34/25/459833425.db2.gz PPYPAPCNZMTDSR-XUVXKRRUSA-N 1 0 345.414 3.285 40 0 EGABRO Cc1ccccc1OCC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289533 459833879 /nfs/dbraw/zinc/83/38/79/459833879.db2.gz RHAIZQXJVCKUDP-CEWLAPEOSA-N 1 0 341.451 3.324 40 0 EGABRO COc1ccc(-c2cccc(C[NH2+]C3CCOCC3)c2)c(CO)c1 ZINC000629740620 460900481 /nfs/dbraw/zinc/90/04/81/460900481.db2.gz HXBFLVIBWPHBLR-UHFFFAOYSA-N 1 0 327.424 3.123 40 0 EGABRO CCOc1ccccc1C(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225568814 521458799 /nfs/dbraw/zinc/45/87/99/521458799.db2.gz DOEHNDPDZGQRIT-INIZCTEOSA-N 1 0 348.512 3.033 40 0 EGABRO Cc1cc(N2CCC(CNC(=O)c3cccc(F)c3)CC2)cc[nH+]1 ZINC000245053483 525056994 /nfs/dbraw/zinc/05/69/94/525056994.db2.gz OWFUFZNQGMJWFG-UHFFFAOYSA-N 1 0 327.403 3.176 40 0 EGABRO C[NH2+][C@@H]1CCC[C@@H](Oc2ccc(F)cc2Oc2ccccc2)[C@@H]1O ZINC000257221358 536366692 /nfs/dbraw/zinc/36/66/92/536366692.db2.gz DOSCJPKROREPEF-SZVBFZGTSA-N 1 0 331.387 3.498 40 0 EGABRO Oc1cc(Cl)cc(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1 ZINC000894570042 1308960859 /nfs/dbraw/zinc/96/08/59/1308960859.db2.gz RNFCRWMIVQOKED-KRWDZBQOSA-N 1 0 332.831 3.224 40 0 EGABRO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000019338220 202004541 /nfs/dbraw/zinc/00/45/41/202004541.db2.gz ONEVOPJSFCATFY-XEWABKELSA-N 1 0 344.405 3.480 40 0 EGABRO C[C@]1(C(=O)NC2CCCC2)CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019746697 202018112 /nfs/dbraw/zinc/01/81/12/202018112.db2.gz RPUZRLDQZUDUCU-FQEVSTJZSA-N 1 0 340.471 3.224 40 0 EGABRO CCC[N@H+](Cc1ccc(OC)cc1)[C@@H]1COC[C@H]1Cc1cc(C)no1 ZINC000019502483 202009546 /nfs/dbraw/zinc/00/95/46/202009546.db2.gz IRVNPAJISSMHRE-YLJYHZDGSA-N 1 0 344.455 3.461 40 0 EGABRO COc1ccc(F)c(CN(CCC[NH+](C)C)Cc2ccccn2)c1 ZINC000019582202 202012714 /nfs/dbraw/zinc/01/27/14/202012714.db2.gz OKFOPFGNEYQJSB-UHFFFAOYSA-N 1 0 331.435 3.183 40 0 EGABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc(Oc2ccccc2)c1 ZINC000019575949 202013599 /nfs/dbraw/zinc/01/35/99/202013599.db2.gz LJDBOVSRUAMIBV-YTQUADARSA-N 1 0 338.451 3.118 40 0 EGABRO CNc1cc(CC2CC[NH+](Cc3ccc(F)cc3)CC2)nc(C)n1 ZINC000019758465 202018849 /nfs/dbraw/zinc/01/88/49/202018849.db2.gz ZKWOUXCUZGQXKH-UHFFFAOYSA-N 1 0 328.435 3.421 40 0 EGABRO CCn1ccc(NC(=O)CC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000019748900 202018940 /nfs/dbraw/zinc/01/89/40/202018940.db2.gz BFXQFYUBKCCCDX-UHFFFAOYSA-N 1 0 340.471 3.186 40 0 EGABRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000020450189 202043310 /nfs/dbraw/zinc/04/33/10/202043310.db2.gz YCPCSTZZGKQESG-HNNXBMFYSA-N 1 0 338.879 3.346 40 0 EGABRO O=C(COc1cccc(F)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000022463327 202085233 /nfs/dbraw/zinc/08/52/33/202085233.db2.gz SVQDWQWHPBUPBX-LJQANCHMSA-N 1 0 342.414 3.158 40 0 EGABRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000030869765 202200861 /nfs/dbraw/zinc/20/08/61/202200861.db2.gz AVXBRHVMTBVMNX-OAHLLOKOSA-N 1 0 338.879 3.490 40 0 EGABRO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH3+])C=C3C)[nH]c2n1 ZINC000072320905 202364360 /nfs/dbraw/zinc/36/43/60/202364360.db2.gz YORQCXBULZYMJS-KKUMJFAQSA-N 1 0 328.460 3.322 40 0 biogenic,in-vitro EGABRO COc1ccc([C@H](CO)[N@H+](C)C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000075742404 202382797 /nfs/dbraw/zinc/38/27/97/202382797.db2.gz YVOCTSKKMBDQMR-ROUUACIJSA-N 1 0 335.831 3.047 40 0 EGABRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)C1CC=CC1 ZINC000077022553 202389867 /nfs/dbraw/zinc/38/98/67/202389867.db2.gz BVJZXKNOIJXZFT-UHFFFAOYSA-N 1 0 348.874 3.266 40 0 EGABRO Cc1cccc(NC2CC[NH+](C[C@H](O)c3cccc(F)c3)CC2)n1 ZINC000077316498 202392219 /nfs/dbraw/zinc/39/22/19/202392219.db2.gz ZWQNRZHMVIMGQY-SFHVURJKSA-N 1 0 329.419 3.139 40 0 EGABRO CCSC1(C[NH2+]Cc2ccccc2-n2cccn2)CCOCC1 ZINC000084664688 202555331 /nfs/dbraw/zinc/55/53/31/202555331.db2.gz SWKOGIBKAKEBPA-UHFFFAOYSA-N 1 0 331.485 3.264 40 0 EGABRO Cc1ccc(NC(=O)CN2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000023249146 212363470 /nfs/dbraw/zinc/36/34/70/212363470.db2.gz LMKCYCJXGTXNFV-UHFFFAOYSA-N 1 0 329.488 3.131 40 0 EGABRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000195557704 241006592 /nfs/dbraw/zinc/00/65/92/241006592.db2.gz TZVRMALHPMXJQD-MRXNPFEDSA-N 1 0 346.402 3.351 40 0 EGABRO O=C(NCCC[NH+]1CCCC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000061238675 202787731 /nfs/dbraw/zinc/78/77/31/202787731.db2.gz VVVGAPLTKHCJOK-UHFFFAOYSA-N 1 0 325.456 3.262 40 0 EGABRO OCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000001555485 201511679 /nfs/dbraw/zinc/51/16/79/201511679.db2.gz FHGFQQXEMNVJIA-JKSUJKDBSA-N 1 0 326.223 3.350 40 0 EGABRO Nc1nccnc1C[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000257213417 244155972 /nfs/dbraw/zinc/15/59/72/244155972.db2.gz CHMTWRQHXXNPEJ-HNNXBMFYSA-N 1 0 333.439 3.062 40 0 EGABRO c1cc2nccc(C[C@@H]3CCC[N@@H+](C4CCOCC4)CC3)c2cn1 ZINC000257217402 244169849 /nfs/dbraw/zinc/16/98/49/244169849.db2.gz CYTVVHVSVABXRD-MRXNPFEDSA-N 1 0 325.456 3.453 40 0 EGABRO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@H+]3CC(C)C)n2)n1 ZINC000072376203 203208891 /nfs/dbraw/zinc/20/88/91/203208891.db2.gz AGUNBFNAHAIOPS-INIZCTEOSA-N 1 0 326.448 3.420 40 0 EGABRO Cc1cn(C)c([C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257234510 244222022 /nfs/dbraw/zinc/22/20/22/244222022.db2.gz GTVFQBQCPVFPHP-SFHVURJKSA-N 1 0 333.439 3.175 40 0 EGABRO Cn1c2ccccc2nc1C[N@H+](C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257239460 244237710 /nfs/dbraw/zinc/23/77/10/244237710.db2.gz HPIQLIQTYPMESY-INIZCTEOSA-N 1 0 335.455 3.069 40 0 EGABRO O[C@@]1(c2ccccn2)CC[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC000072392549 203214023 /nfs/dbraw/zinc/21/40/23/203214023.db2.gz LNIHGASZHSZQFS-KHYOSLBOSA-N 1 0 330.378 3.089 40 0 EGABRO Cc1ccc(C[NH2+]C[C@@H]2Cn3nnc(-c4ccsc4)c3CO2)s1 ZINC000096061046 203817451 /nfs/dbraw/zinc/81/74/51/203817451.db2.gz VQIXYKGEVPINGW-CYBMUJFWSA-N 1 0 346.481 3.065 40 0 EGABRO CC(=O)c1csc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000106607502 204204781 /nfs/dbraw/zinc/20/47/81/204204781.db2.gz GOGWHEHQKLITOR-UHFFFAOYSA-N 1 0 346.452 3.280 40 0 EGABRO Cc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)n1 ZINC000107711951 204245328 /nfs/dbraw/zinc/24/53/28/204245328.db2.gz UVKUOMVUHHETHJ-UXHICEINSA-N 1 0 330.472 3.188 40 0 EGABRO Cc1csc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)n1 ZINC000107712060 204246130 /nfs/dbraw/zinc/24/61/30/204246130.db2.gz IVNQIJBEZJPDBE-AEFFLSMTSA-N 1 0 336.501 3.249 40 0 EGABRO O=C1N(CC2CCC2)CC[C@]12CCC[N@H+](Cc1ccncc1)CC2 ZINC000108528582 204266147 /nfs/dbraw/zinc/26/61/47/204266147.db2.gz MRGNBDJYCHKBPJ-HXUWFJFHSA-N 1 0 327.472 3.086 40 0 EGABRO COC(=O)c1ccc(C[NH+]2CCC(c3nnc(C)s3)CC2)cc1 ZINC000049365552 204387332 /nfs/dbraw/zinc/38/73/32/204387332.db2.gz LPIGZAIJYOUAAN-UHFFFAOYSA-N 1 0 331.441 3.013 40 0 EGABRO C[NH2+]Cc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000095427849 218369885 /nfs/dbraw/zinc/36/98/85/218369885.db2.gz CAKAPQPSQQOONO-UHFFFAOYSA-N 1 0 338.386 3.292 40 0 EGABRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000095422514 218364713 /nfs/dbraw/zinc/36/47/13/218364713.db2.gz VSVUQQDORHKRLJ-IUODEOHRSA-N 1 0 338.377 3.368 40 0 EGABRO O=C(COc1ccc(F)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012376 210882006 /nfs/dbraw/zinc/88/20/06/210882006.db2.gz KXEDJKUIPNHCEV-UHFFFAOYSA-N 1 0 342.414 3.117 40 0 EGABRO CCc1cnc(CC[NH2+]C2CCN(c3nc(C)cs3)CC2)s1 ZINC000096478723 218854988 /nfs/dbraw/zinc/85/49/88/218854988.db2.gz JGLRMECFEBIRBA-UHFFFAOYSA-N 1 0 336.530 3.272 40 0 EGABRO c1cc(C[NH+]2CCC3(CO[C@@H](COc4ccccn4)C3)CC2)co1 ZINC000096106197 285434763 /nfs/dbraw/zinc/43/47/63/285434763.db2.gz MQKZNTCYIALGIC-QGZVFWFLSA-N 1 0 328.412 3.125 40 0 EGABRO CC(C)c1nc2sc3c(c2c(N2CC[NH2+]CC2)n1)CC[C@H](C)C3 ZINC000004910650 273569912 /nfs/dbraw/zinc/56/99/12/273569912.db2.gz WCROKSLWGACBNC-LBPRGKRZSA-N 1 0 330.501 3.349 40 0 EGABRO Brc1cc2c(s1)CCN(CC[C@H]1CCCC[NH2+]1)C2 ZINC000095097533 275712374 /nfs/dbraw/zinc/71/23/74/275712374.db2.gz NRNLIGBQMMPTBK-GFCCVEGCSA-N 1 0 329.307 3.401 40 0 EGABRO CC1(C)Cc2occc2[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000096477955 276152179 /nfs/dbraw/zinc/15/21/79/276152179.db2.gz FBLWURCRERIRCJ-CRAIPNDOSA-N 1 0 332.488 3.384 40 0 EGABRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000191109294 278499025 /nfs/dbraw/zinc/49/90/25/278499025.db2.gz KVFNNYDURKLOKJ-MELADBBJSA-N 1 0 330.436 3.134 40 0 EGABRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000097375284 323215631 /nfs/dbraw/zinc/21/56/31/323215631.db2.gz ZHRIZVYGYAKDMM-KKSFZXQISA-N 1 0 348.450 3.260 40 0 EGABRO C[C@H](CC(=O)Nc1ccc(-c2csnn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000151703094 323220835 /nfs/dbraw/zinc/22/08/35/323220835.db2.gz QJSPMJBFSIVEHX-OCCSQVGLSA-N 1 0 330.457 3.169 40 0 EGABRO COc1ccc(C[NH2+]CC(=O)Nc2ccccc2-n2cccc2)cc1 ZINC000004926793 452825383 /nfs/dbraw/zinc/82/53/83/452825383.db2.gz OUJZVGXLNWSVNI-UHFFFAOYSA-N 1 0 335.407 3.214 40 0 EGABRO COc1ccc(CNc2cc([C@H](O)C[NH2+]C(C)(C)C)ccc2O)cc1 ZINC000005138143 452839416 /nfs/dbraw/zinc/83/94/16/452839416.db2.gz CWNSARGKNRTVBY-LJQANCHMSA-N 1 0 344.455 3.434 40 0 EGABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)cc1 ZINC000007519905 453083260 /nfs/dbraw/zinc/08/32/60/453083260.db2.gz FXVRPWZFCCRQON-MRXNPFEDSA-N 1 0 329.396 3.392 40 0 EGABRO C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000008395109 453201337 /nfs/dbraw/zinc/20/13/37/453201337.db2.gz MHRNATWXRMQHRQ-BBWFWOEESA-N 1 0 327.472 3.203 40 0 EGABRO OCC1CCC2(CC1)C[N@H+](Cc1ccccn1)Cc1ccccc1O2 ZINC000012088444 453346039 /nfs/dbraw/zinc/34/60/39/453346039.db2.gz XHODGBVYZJFPBC-UHFFFAOYSA-N 1 0 338.451 3.398 40 0 EGABRO C[C@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2cnccn2)cc1 ZINC000012182116 453346468 /nfs/dbraw/zinc/34/64/68/453346468.db2.gz AXTHRHCEIFJGDH-RDJZCZTQSA-N 1 0 338.455 3.249 40 0 EGABRO Cc1cc(-c2cnc(N3CCC[C@@H](C)C3)nc2C2CC[NH2+]CC2)on1 ZINC000012234101 453352084 /nfs/dbraw/zinc/35/20/84/453352084.db2.gz IIUBXNBAUSJHDD-CYBMUJFWSA-N 1 0 341.459 3.143 40 0 EGABRO CC[NH+](CC)CCNC(=O)Nc1c[nH]c2c(Cl)cccc2c1=O ZINC000013565984 453470549 /nfs/dbraw/zinc/47/05/49/453470549.db2.gz DOJPLDXPNLZGQM-UHFFFAOYSA-N 1 0 336.823 3.057 40 0 EGABRO O=S(=O)(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000015357100 453569679 /nfs/dbraw/zinc/56/96/79/453569679.db2.gz ICTNZHSIPUNNCN-UHFFFAOYSA-N 1 0 344.480 3.151 40 0 EGABRO CCC[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)n1nc(C)cc1C ZINC000019501822 453656403 /nfs/dbraw/zinc/65/64/03/453656403.db2.gz FBLRHEWWDRBUNR-SFHVURJKSA-N 1 0 334.508 3.222 40 0 EGABRO CCC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(C)CC3)ccc21 ZINC000019498881 453656596 /nfs/dbraw/zinc/65/65/96/453656596.db2.gz JRRHIKLRTNOCNS-IBGZPJMESA-N 1 0 330.472 3.141 40 0 EGABRO CCN1C(=O)CCC[C@@H]2[C@H]1CC[N@@H+]2CCCCOCc1ccccc1 ZINC000019711655 453659019 /nfs/dbraw/zinc/65/90/19/453659019.db2.gz NKXWBSBYJZBDHR-WOJBJXKFSA-N 1 0 344.499 3.459 40 0 EGABRO Cc1cc(C)c(OCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(C)c1 ZINC000021835454 453681827 /nfs/dbraw/zinc/68/18/27/453681827.db2.gz HXYJBDNNWOQTGZ-INIZCTEOSA-N 1 0 346.496 3.471 40 0 EGABRO CC[NH+](CC)CCN(C)[C@](O)(C(=O)c1ccccc1)C1CCCC1 ZINC000022796426 453698824 /nfs/dbraw/zinc/69/88/24/453698824.db2.gz FYCWKFSPEUEYGS-HXUWFJFHSA-N 1 0 332.488 3.022 40 0 EGABRO CCCC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@@H](C)CC ZINC000026650603 453803843 /nfs/dbraw/zinc/80/38/43/453803843.db2.gz RQJGONUMUVXSCF-HNNXBMFYSA-N 1 0 333.476 3.228 40 0 EGABRO Cc1cnc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)s1 ZINC000054379887 453926576 /nfs/dbraw/zinc/92/65/76/453926576.db2.gz PPBSDOZHFPFDAQ-DZGCQCFKSA-N 1 0 330.457 3.409 40 0 EGABRO Cc1ncc(C[NH2+]C[C@H]2CC(=O)Nc3ccccc32)n1-c1ccccc1 ZINC000084050812 453966300 /nfs/dbraw/zinc/96/63/00/453966300.db2.gz ZQOOKLOZRMZQHH-MRXNPFEDSA-N 1 0 346.434 3.396 40 0 EGABRO C[C@H](c1ccccn1)N1CCN(C(=O)N(C)c2ccc(F)cc2)CC1 ZINC000190865125 455393578 /nfs/dbraw/zinc/39/35/78/455393578.db2.gz WXKZIASKVPEPQW-OAHLLOKOSA-N 1 0 342.418 3.156 40 0 EGABRO O=C(CCC1CCCC1)N1CC[N@H+](Cc2ccccc2)CCC1=O ZINC000057773340 454145555 /nfs/dbraw/zinc/14/55/55/454145555.db2.gz GQHAWIRTQCNBHO-UHFFFAOYSA-N 1 0 328.456 3.218 40 0 EGABRO C[C@H]1C[C@H](OC[C@H](O)C[N@H+](CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000095532668 454229430 /nfs/dbraw/zinc/22/94/30/454229430.db2.gz FKQLTXLKHRPMII-SXLOBPIMSA-N 1 0 349.515 3.073 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)co1 ZINC000096040091 454267036 /nfs/dbraw/zinc/26/70/36/454267036.db2.gz CNHUYGNMIJEEPX-VQTJNVASSA-N 1 0 342.439 3.263 40 0 EGABRO CCOC[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2cn(C)nc21 ZINC000096044699 454268524 /nfs/dbraw/zinc/26/85/24/454268524.db2.gz ZSLSEGJNCHAAEO-OAHLLOKOSA-N 1 0 349.862 3.088 40 0 EGABRO O=C(c1cccs1)N1CCC[C@@]2(CC[N@H+](Cc3ccncc3)C2)C1 ZINC000096047028 454270105 /nfs/dbraw/zinc/27/01/05/454270105.db2.gz RDRXPHQEIMIUSO-IBGZPJMESA-N 1 0 341.480 3.271 40 0 EGABRO c1csc(C[NH+]2CCC3(CC2)CN(Cc2ccccn2)CCO3)c1 ZINC000096048955 454271145 /nfs/dbraw/zinc/27/11/45/454271145.db2.gz YJGQFLXWIGKPBE-UHFFFAOYSA-N 1 0 343.496 3.010 40 0 EGABRO c1coc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC000096057057 454274531 /nfs/dbraw/zinc/27/45/31/454274531.db2.gz BUNNGOZKQABPMI-HKUYNNGSSA-N 1 0 328.412 3.125 40 0 EGABRO Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1[C@H](O)c1ccccc1 ZINC000072224754 454275696 /nfs/dbraw/zinc/27/56/96/454275696.db2.gz SIGVYHBFDFKBDR-HXUWFJFHSA-N 1 0 325.456 3.002 40 0 EGABRO c1ccc(C[NH+]2CCC3(C[C@@H](OCC4CCOCC4)CO3)CC2)cc1 ZINC000096106687 454284395 /nfs/dbraw/zinc/28/43/95/454284395.db2.gz IOHNZTANPKJWHW-HXUWFJFHSA-N 1 0 345.483 3.253 40 0 EGABRO c1csc(C[N@H+]2C[C@H]3CCC[C@@]3(COCC3CCOCC3)C2)n1 ZINC000096109192 454286255 /nfs/dbraw/zinc/28/62/55/454286255.db2.gz IGPZDABBFUFXIX-AEFFLSMTSA-N 1 0 336.501 3.188 40 0 EGABRO COc1ccc(C[NH2+]C[C@H]2COCc3nc4cc(F)ccc4n32)cc1 ZINC000096112717 454287400 /nfs/dbraw/zinc/28/74/00/454287400.db2.gz WYCJSCHEZDEIFY-HNNXBMFYSA-N 1 0 341.386 3.045 40 0 biogenic,in-vitro EGABRO O=C1NC2(C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)Nc2ccccc21 ZINC000072342613 454293788 /nfs/dbraw/zinc/29/37/88/454293788.db2.gz GCDQDEGRKPDDRC-QRTHJKPMSA-N 1 0 333.435 3.365 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C(=O)[O-])C[NH+](CC4CC4)C[C@@H]3C2)s1 ZINC000096185194 454299895 /nfs/dbraw/zinc/29/98/95/454299895.db2.gz KDUWDCMKHCPTQR-LPHOPBHVSA-N 1 0 348.512 3.065 40 0 EGABRO c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)cs1 ZINC000096208306 454304550 /nfs/dbraw/zinc/30/45/50/454304550.db2.gz IRJQSHRLDAYBEN-OAGGEKHMSA-N 1 0 345.468 3.088 40 0 EGABRO c1ccc(CC[N@@H+]2CC[C@]3(C2)C[C@H](Nc2ccccn2)CCO3)cc1 ZINC000096206235 454304568 /nfs/dbraw/zinc/30/45/68/454304568.db2.gz QBAZLPMSPIWKNQ-TZIWHRDSSA-N 1 0 337.467 3.360 40 0 EGABRO COC[C@H]1CCC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)[N@@H+]1C ZINC000096215846 454305480 /nfs/dbraw/zinc/30/54/80/454305480.db2.gz JIHFXEYEIZUMTE-MRXNPFEDSA-N 1 0 336.863 3.055 40 0 EGABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)CC1=CCCCC1)C2 ZINC000096209871 454305763 /nfs/dbraw/zinc/30/57/63/454305763.db2.gz LLACGEDGIBOREM-TZIWHRDSSA-N 1 0 346.515 3.084 40 0 EGABRO c1csc(C[N@H+]2CC[C@H]3OCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000096208573 454306145 /nfs/dbraw/zinc/30/61/45/454306145.db2.gz RIWVNUKATQMCEP-MOPGFXCFSA-N 1 0 344.480 3.341 40 0 EGABRO Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ccc(C)nn2)C3)oc1C ZINC000096217079 454307865 /nfs/dbraw/zinc/30/78/65/454307865.db2.gz RRFROSOVIIUGDV-FQEVSTJZSA-N 1 0 340.471 3.487 40 0 EGABRO O=C(C[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2)N1CCCC1 ZINC000096221964 454309439 /nfs/dbraw/zinc/30/94/39/454309439.db2.gz MMARKCADGHMVSD-MRXNPFEDSA-N 1 0 348.512 3.132 40 0 EGABRO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000096244868 454311017 /nfs/dbraw/zinc/31/10/17/454311017.db2.gz AFNXCDIAIYIGBI-MJGOQNOKSA-N 1 0 340.854 3.225 40 0 EGABRO O=C(c1ccccn1)N1CCC2(C=C[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000096240266 454311284 /nfs/dbraw/zinc/31/12/84/454311284.db2.gz CUDAKYBFZVDCHR-KRWDZBQOSA-N 1 0 325.456 3.118 40 0 EGABRO Cc1cccc(C[NH+]2CCC3(C=C[C@H](N4CCOCC4)CC3)CC2)n1 ZINC000096240270 454311534 /nfs/dbraw/zinc/31/15/34/454311534.db2.gz VWQSVLRIYQVYLY-FQEVSTJZSA-N 1 0 341.499 3.023 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCN(c4cccnc4)[C@@H]3CC2)s1 ZINC000096249433 454312021 /nfs/dbraw/zinc/31/20/21/454312021.db2.gz RMXYOZYULYJJFG-RTBURBONSA-N 1 0 343.496 3.321 40 0 EGABRO CC[NH+](CC)CCOc1ccc(NC(=O)NCc2nccs2)cc1 ZINC000096411511 454329538 /nfs/dbraw/zinc/32/95/38/454329538.db2.gz PIYFLWQLGOXKLH-UHFFFAOYSA-N 1 0 348.472 3.185 40 0 EGABRO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000096414431 454331803 /nfs/dbraw/zinc/33/18/03/454331803.db2.gz XUOJEJSVBJBSSH-HIFRSBDPSA-N 1 0 342.405 3.342 40 0 EGABRO Cc1nc(CC(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cs1 ZINC000096418431 454334620 /nfs/dbraw/zinc/33/46/20/454334620.db2.gz HHEDZZOCXFZAHE-UHFFFAOYSA-N 1 0 342.468 3.149 40 0 EGABRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@H]1C=CCC1 ZINC000096441189 454351146 /nfs/dbraw/zinc/35/11/46/454351146.db2.gz NFYBEPOIBBYCIU-INIZCTEOSA-N 1 0 343.471 3.132 40 0 EGABRO COc1ccc(C)cc1C1(C[NH2+][C@@H](C)c2nnc(C)o2)CCOCC1 ZINC000079029838 454357468 /nfs/dbraw/zinc/35/74/68/454357468.db2.gz YFKCTHWFUZDVSY-AWEZNQCLSA-N 1 0 345.443 3.094 40 0 EGABRO C[C@H]1C[NH+](CCC2CCN(C(=O)/C=C/c3ccco3)CC2)C[C@H](C)O1 ZINC000096456018 454358295 /nfs/dbraw/zinc/35/82/95/454358295.db2.gz GTMICELXFRGYQZ-CSLAMCDYSA-N 1 0 346.471 3.031 40 0 EGABRO O=C(C[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1)NCc1cccnc1 ZINC000096481044 454364074 /nfs/dbraw/zinc/36/40/74/454364074.db2.gz UDWPDENOQWXMBO-FPOVZHCZSA-N 1 0 335.451 3.099 40 0 EGABRO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@H](CO)C1 ZINC000096483159 454364743 /nfs/dbraw/zinc/36/47/43/454364743.db2.gz QQCQLJWBIRIREL-UWVGGRQHSA-N 1 0 342.226 3.419 40 0 EGABRO C[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(F)cc1F ZINC000096490717 454368733 /nfs/dbraw/zinc/36/87/33/454368733.db2.gz OLBBHWLUIYQZMP-SNVBAGLBSA-N 1 0 337.345 3.366 40 0 EGABRO C[C@H](CC[NH2+][C@H]1CCCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000096491682 454368877 /nfs/dbraw/zinc/36/88/77/454368877.db2.gz ISVPSVXLECNTKR-DOMZBBRYSA-N 1 0 349.418 3.366 40 0 EGABRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000091060652 454374415 /nfs/dbraw/zinc/37/44/15/454374415.db2.gz XKFHEMFATZECPT-DLBZAZTESA-N 1 0 340.471 3.045 40 0 EGABRO Fc1ccc(OC[C@@H]2CCCO2)c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000097232139 454427642 /nfs/dbraw/zinc/42/76/42/454427642.db2.gz IFUSBAMEZKLWQD-BBWFWOEESA-N 1 0 334.435 3.422 40 0 EGABRO COc1ccc(-c2csc(NC(=O)[C@@H]3CC[NH2+]C3)n2)cc1Cl ZINC000097228943 454427821 /nfs/dbraw/zinc/42/78/21/454427821.db2.gz AGLLLWNNHZDXCS-SNVBAGLBSA-N 1 0 337.832 3.020 40 0 EGABRO C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)s1 ZINC000080127380 454538115 /nfs/dbraw/zinc/53/81/15/454538115.db2.gz SFSLXEHEVAEUIE-WDEREUQCSA-N 1 0 345.306 3.072 40 0 EGABRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccnc(Oc3ccccc3)c2)C1 ZINC000162658858 454790928 /nfs/dbraw/zinc/79/09/28/454790928.db2.gz DCWDKRXFIFNUDB-OAHLLOKOSA-N 1 0 340.427 3.289 40 0 EGABRO C[N@H+](CCOC[C@@H]1CCCO1)[C@H](c1ccccc1)c1ccccn1 ZINC000110617874 454849700 /nfs/dbraw/zinc/84/97/00/454849700.db2.gz NFDUSHVADZQGKA-AZUAARDMSA-N 1 0 326.440 3.298 40 0 EGABRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC1(Cl)Cl ZINC000110632663 454850269 /nfs/dbraw/zinc/85/02/69/454850269.db2.gz BGFZCIWJHPROPP-LSDHHAIUSA-N 1 0 341.282 3.161 40 0 EGABRO CC[NH+](CC)[C@@H]1CCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000127328199 454954383 /nfs/dbraw/zinc/95/43/83/454954383.db2.gz NLNHYVMZYIJGBR-LJQANCHMSA-N 1 0 326.488 3.405 40 0 EGABRO C[C@H]([NH2+]CCc1ccnn1C)c1ccc(Br)cc1F ZINC000129701735 455121787 /nfs/dbraw/zinc/12/17/87/455121787.db2.gz NEDBBEPNUKZQMC-JTQLQIEISA-N 1 0 326.213 3.215 40 0 EGABRO Cn1cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c(-c2ccccc2)n1 ZINC000179987511 455111351 /nfs/dbraw/zinc/11/13/51/455111351.db2.gz LUESZUASKSVRPC-QGZVFWFLSA-N 1 0 347.466 3.416 40 0 EGABRO O=C(CCc1ccccc1)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000245131274 455279461 /nfs/dbraw/zinc/27/94/61/455279461.db2.gz VMBYZVDNLBRDDG-UHFFFAOYSA-N 1 0 346.540 3.343 40 0 EGABRO FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000185204566 455520569 /nfs/dbraw/zinc/52/05/69/455520569.db2.gz JKOLGEYSIXSMTL-CQSZACIVSA-N 1 0 326.362 3.220 40 0 EGABRO Cc1cncc(COCC[C@@H]2CCOC3(C[NH+](CC4CC4)C3)C2)c1 ZINC000247843258 455648711 /nfs/dbraw/zinc/64/87/11/455648711.db2.gz RBCYBKWOQUWHAH-QGZVFWFLSA-N 1 0 330.472 3.188 40 0 EGABRO COC[C@@H]1CN(C(C)=O)CC12CC[NH+](Cc1cc(C)ccc1C)CC2 ZINC000247904708 455653285 /nfs/dbraw/zinc/65/32/85/455653285.db2.gz JKZWPKZUYXZWNP-FQEVSTJZSA-N 1 0 344.499 3.010 40 0 EGABRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(N2CCOC2=O)c1 ZINC000248739313 455728495 /nfs/dbraw/zinc/72/84/95/455728495.db2.gz QRCLSPFEMOGUDA-LIRZEXBASA-N 1 0 342.439 3.251 40 0 EGABRO CCCC[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000252537411 455819988 /nfs/dbraw/zinc/81/99/88/455819988.db2.gz LBPGTGXYRCEKLJ-NVXWUHKLSA-N 1 0 345.487 3.149 40 0 EGABRO Cc1nnc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000253418491 455842744 /nfs/dbraw/zinc/84/27/44/455842744.db2.gz QYXBSRYVHXQKCR-YOEHRIQHSA-N 1 0 330.501 3.331 40 0 EGABRO O=C(Cc1ccccc1)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2CC1CC1 ZINC000257278424 455882032 /nfs/dbraw/zinc/88/20/32/455882032.db2.gz OCFGMNDVUXYHJO-WOJBJXKFSA-N 1 0 326.484 3.485 40 0 EGABRO Cc1nn(C)c2nc([C@]3(C)CCC[N@H+](Cc4cncs4)C3)ccc12 ZINC000257307047 455887648 /nfs/dbraw/zinc/88/76/48/455887648.db2.gz SWZSVRGHOTZCFC-GOSISDBHSA-N 1 0 341.484 3.287 40 0 EGABRO c1ccc(CC[N@@H+]2CC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000257307659 455888056 /nfs/dbraw/zinc/88/80/56/455888056.db2.gz SZSIPAMLZQIJMG-QGZVFWFLSA-N 1 0 346.438 3.042 40 0 EGABRO Cc1cnc([C@H]2CCC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)s1 ZINC000257340643 455896045 /nfs/dbraw/zinc/89/60/45/455896045.db2.gz ZHAFHPKVWBQXAL-HNNXBMFYSA-N 1 0 343.500 3.221 40 0 EGABRO C[C@@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1cccc(OC(F)F)c1 ZINC000261627995 455915806 /nfs/dbraw/zinc/91/58/06/455915806.db2.gz CQYGNGLNARSONR-BXUZGUMPSA-N 1 0 326.387 3.243 40 0 EGABRO CN(c1ncc(Cl)cc1F)C1CC[NH+](Cc2ccncc2)CC1 ZINC000195535704 455981393 /nfs/dbraw/zinc/98/13/93/455981393.db2.gz LEFIOMJUWOWWDU-UHFFFAOYSA-N 1 0 334.826 3.370 40 0 EGABRO Cc1cc(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000195565610 455985894 /nfs/dbraw/zinc/98/58/94/455985894.db2.gz IUHKUBUZPWRXPR-WFASDCNBSA-N 1 0 339.277 3.312 40 0 EGABRO Cc1cccc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)c1C ZINC000225213790 456075043 /nfs/dbraw/zinc/07/50/43/456075043.db2.gz KSTGFDZFOXYWER-UHFFFAOYSA-N 1 0 347.528 3.233 40 0 EGABRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000225515565 456089636 /nfs/dbraw/zinc/08/96/36/456089636.db2.gz KVFNNYDURKLOKJ-IHRRRGAJSA-N 1 0 330.436 3.134 40 0 EGABRO COc1ccc2cc(NC(=O)C3CCN(CC(F)F)CC3)ccc2n1 ZINC000225558129 456092489 /nfs/dbraw/zinc/09/24/89/456092489.db2.gz JBDNCENMGCWCQR-UHFFFAOYSA-N 1 0 349.381 3.159 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(F)cc1C ZINC000225597750 456095820 /nfs/dbraw/zinc/09/58/20/456095820.db2.gz NBGAOOBBYABCET-INIZCTEOSA-N 1 0 342.480 3.067 40 0 EGABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225650137 456101416 /nfs/dbraw/zinc/10/14/16/456101416.db2.gz SVFUQIHCRUJREZ-LJQANCHMSA-N 1 0 334.460 3.305 40 0 EGABRO Cc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)s1 ZINC000225687345 456104414 /nfs/dbraw/zinc/10/44/14/456104414.db2.gz QXNOUHMOVSCDHH-QGZVFWFLSA-N 1 0 326.465 3.329 40 0 EGABRO CCCCOc1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cn1 ZINC000188878875 456158850 /nfs/dbraw/zinc/15/88/50/456158850.db2.gz FIXHZAQEEAXBJV-UHFFFAOYSA-N 1 0 344.459 3.129 40 0 EGABRO Cc1cc(C)cc(C(=O)N2CCOC[C@@H](CC[NH+]3CCCC3)[C@@H]2C)c1 ZINC000306139098 456566920 /nfs/dbraw/zinc/56/69/20/456566920.db2.gz SPGQQSDPPKBJDL-RBUKOAKNSA-N 1 0 344.499 3.266 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)s1 ZINC000306134499 456567375 /nfs/dbraw/zinc/56/73/75/456567375.db2.gz NPISUZIGOSGJJX-USXIJHARSA-N 1 0 329.469 3.010 40 0 EGABRO CC[C@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2c(C)noc2C)CC1 ZINC000585099896 459823352 /nfs/dbraw/zinc/82/33/52/459823352.db2.gz VBTZSIZKKYLBQH-LIRRHRJNSA-N 1 0 333.476 3.437 40 0 EGABRO CCC(CC)C[N@@H+]1CCC[C@]2(CN(Cc3c(C)noc3C)C2=O)C1 ZINC000585099590 459823464 /nfs/dbraw/zinc/82/34/64/459823464.db2.gz RTPUQAIJYKSSAT-LJQANCHMSA-N 1 0 333.476 3.152 40 0 EGABRO CC(C)CC[N@@H+]1C[C@H]2CN(c3cc(C(F)(F)F)ncn3)CC[C@@H]21 ZINC000585108052 459825566 /nfs/dbraw/zinc/82/55/66/459825566.db2.gz XULICNQAFYJWBC-STQMWFEESA-N 1 0 328.382 3.052 40 0 EGABRO c1cc2ccc(C[N@@H+]3CCC4(CC(Nc5ccncn5)C4)C3)cc2[nH]1 ZINC000585261368 459831108 /nfs/dbraw/zinc/83/11/08/459831108.db2.gz ZNTNXLJNIPJSPQ-UHFFFAOYSA-N 1 0 333.439 3.425 40 0 EGABRO C[C@](CO)([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)C1CCCCC1 ZINC000077656784 525143163 /nfs/dbraw/zinc/14/31/63/525143163.db2.gz MJBPMWNWSJWODL-OAQYLSRUSA-N 1 0 344.499 3.344 40 0 EGABRO Cc1cccc(S(=O)(=O)N(C)[C@@H](C)CC[NH+]2CCC(C)CC2)c1 ZINC000082208284 1292677104 /nfs/dbraw/zinc/67/71/04/1292677104.db2.gz AGVNHDNTFYHZNL-KRWDZBQOSA-N 1 0 338.517 3.126 40 0 EGABRO CC(C)CN(C)c1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000058147611 214481999 /nfs/dbraw/zinc/48/19/99/214481999.db2.gz RJLNEQQZJRAGAP-UHFFFAOYSA-N 1 0 331.504 3.383 40 0 EGABRO Cn1nc([C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)c2nccnc21 ZINC000019289377 202002182 /nfs/dbraw/zinc/00/21/82/202002182.db2.gz JLPKGHKCPKLURG-LBPRGKRZSA-N 1 0 343.381 3.021 40 0 EGABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1F ZINC000019292847 202002967 /nfs/dbraw/zinc/00/29/67/202002967.db2.gz AAWCGOGNCNQTFA-AWEZNQCLSA-N 1 0 342.349 3.399 40 0 EGABRO c1cnc2ccc(CN3CCc4nc([C@@H]5CCC[NH2+]5)ncc4C3)cc2c1 ZINC000019347045 202005543 /nfs/dbraw/zinc/00/55/43/202005543.db2.gz FQFIDIIHGRRAPT-FQEVSTJZSA-N 1 0 345.450 3.008 40 0 EGABRO O=c1oc2ccc(Cl)cc2n1[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019346009 202005752 /nfs/dbraw/zinc/00/57/52/202005752.db2.gz ODJVUHUWHIKHRL-HNNXBMFYSA-N 1 0 343.814 3.480 40 0 EGABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccccc3)C[C@H]2c2cccnc2)N1 ZINC000019372618 202006090 /nfs/dbraw/zinc/00/60/90/202006090.db2.gz NXLDKTDMYLECEV-PZJWPPBQSA-N 1 0 335.451 3.110 40 0 EGABRO COc1ccc2c(c1)c(C)c(C(=O)N1CCCC[C@H]1C[NH+](C)C)n2C ZINC000019565563 202011767 /nfs/dbraw/zinc/01/17/67/202011767.db2.gz GDFRYMKSDFOSGW-HNNXBMFYSA-N 1 0 343.471 3.052 40 0 EGABRO Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@@H](Cn2ccnc2C)C1 ZINC000019659013 202014661 /nfs/dbraw/zinc/01/46/61/202014661.db2.gz UYJOLYAYVHWBQF-GOSISDBHSA-N 1 0 337.471 3.368 40 0 EGABRO CNc1ncccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1Cc1ccccc1 ZINC000022915960 202094888 /nfs/dbraw/zinc/09/48/88/202094888.db2.gz PNUPCGUREBMULP-PMACEKPBSA-N 1 0 336.483 3.015 40 0 EGABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1ccccn1 ZINC000036741269 202330042 /nfs/dbraw/zinc/33/00/42/202330042.db2.gz PBHIHYNLRXTMSO-UHFFFAOYSA-N 1 0 345.512 3.176 40 0 EGABRO Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000076330231 202387150 /nfs/dbraw/zinc/38/71/50/202387150.db2.gz JLPTXEAUMNOSPG-CQSZACIVSA-N 1 0 339.867 3.007 40 0 EGABRO CCn1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c(C(C)C)n1 ZINC000076965487 202389249 /nfs/dbraw/zinc/38/92/49/202389249.db2.gz FNWSFEZXDQGMGZ-UHFFFAOYSA-N 1 0 346.519 3.411 40 0 EGABRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cccc(Cl)n2)CC1 ZINC000078403396 202390504 /nfs/dbraw/zinc/39/05/04/202390504.db2.gz 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ZINC000222202140 241498605 /nfs/dbraw/zinc/49/86/05/241498605.db2.gz NUPOXGUGXABKNY-ZMSDIMECSA-N 1 0 330.859 3.310 40 0 EGABRO COc1ccc2cc(C[NH2+]CCc3nnc4ccccn43)ccc2c1 ZINC000021866278 212255899 /nfs/dbraw/zinc/25/58/99/212255899.db2.gz AJIODZDWHRKHDZ-UHFFFAOYSA-N 1 0 332.407 3.223 40 0 EGABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2c(F)cccc2F)C1 ZINC000225736815 242012716 /nfs/dbraw/zinc/01/27/16/242012716.db2.gz MGMMJYHQDRAGKU-GFCCVEGCSA-N 1 0 327.444 3.373 40 0 EGABRO CC(C)[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc2c(c1)CCO2 ZINC000091339389 203074396 /nfs/dbraw/zinc/07/43/96/203074396.db2.gz RQTFRRURRNNUJO-IBGZPJMESA-N 1 0 332.488 3.019 40 0 EGABRO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)cn1 ZINC000090919064 203071531 /nfs/dbraw/zinc/07/15/31/203071531.db2.gz HZOMAHKZUGFRKN-VQIMIIECSA-N 1 0 340.471 3.306 40 0 EGABRO c1cc2n(c1)[C@@H](CCOc1ccccn1)C[N@H+](CC1CCOCC1)C2 ZINC000253588696 244026733 /nfs/dbraw/zinc/02/67/33/244026733.db2.gz OVMDOAFXWSENPJ-IBGZPJMESA-N 1 0 341.455 3.136 40 0 EGABRO CC(C)Nc1nc(Cl)nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000255187629 244046577 /nfs/dbraw/zinc/04/65/77/244046577.db2.gz FSFNPQHURTVCMO-UHFFFAOYSA-N 1 0 326.876 3.066 40 0 EGABRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)Cc1cnc2ncccn12 ZINC000093318756 203185007 /nfs/dbraw/zinc/18/50/07/203185007.db2.gz KLRXURUBQSOWPT-XLIONFOSSA-N 1 0 349.482 3.072 40 0 EGABRO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000072372065 203209258 /nfs/dbraw/zinc/20/92/58/203209258.db2.gz QPOXUWAYFUSXCN-LLVKDONJSA-N 1 0 325.334 3.127 40 0 EGABRO CSc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)cc1 ZINC000072372995 203209421 /nfs/dbraw/zinc/20/94/21/203209421.db2.gz HNLGFJPBYMKRCE-LSDHHAIUSA-N 1 0 341.480 3.344 40 0 EGABRO c1cc2ccc(C[C@@H]3COCC[N@@H+](CC4CCOCC4)C3)cc2o1 ZINC000257236145 244230297 /nfs/dbraw/zinc/23/02/97/244230297.db2.gz HAYUHTRDXAKSDB-SFHVURJKSA-N 1 0 329.440 3.350 40 0 EGABRO Cc1nc(C)c(CC(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@H+]3C)s1 ZINC000257239740 244237802 /nfs/dbraw/zinc/23/78/02/244237802.db2.gz HQPMRCHEQZBBKJ-WMZOPIPTSA-N 1 0 335.517 3.168 40 0 EGABRO O=C(C1CCC1)N1CC[N@@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355147 203204831 /nfs/dbraw/zinc/20/48/31/203204831.db2.gz DHSQUWOJKQTKEZ-QGZVFWFLSA-N 1 0 341.499 3.127 40 0 EGABRO Cc1cc(CCC(=O)Nc2ccon2)cc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000072366889 203208132 /nfs/dbraw/zinc/20/81/32/203208132.db2.gz CMQBTSAAJJCQQU-QGZVFWFLSA-N 1 0 342.443 3.495 40 0 EGABRO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCC[NH2+]C1 ZINC000072391919 203213153 /nfs/dbraw/zinc/21/31/53/203213153.db2.gz WYKPLNNELMNCRV-LJQANCHMSA-N 1 0 328.481 3.416 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389905 203213223 /nfs/dbraw/zinc/21/32/23/203213223.db2.gz CNGHYAQGIRIKFZ-INIZCTEOSA-N 1 0 336.395 3.130 40 0 EGABRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cn2nnnc12)c1cccnc1 ZINC000072392395 203213888 /nfs/dbraw/zinc/21/38/88/203213888.db2.gz GSJJLTBDBZIXRO-CQSZACIVSA-N 1 0 330.395 3.037 40 0 EGABRO Cc1cc(-c2nccn2C)nc([C@H]2CC[N@H+](Cc3ccsc3)C2)n1 ZINC000257271800 244379461 /nfs/dbraw/zinc/37/94/61/244379461.db2.gz MZVVBMGWFCRLTK-HNNXBMFYSA-N 1 0 339.468 3.237 40 0 EGABRO CCC(=O)N1CC[C@H](c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)C1 ZINC000257338671 244568699 /nfs/dbraw/zinc/56/86/99/244568699.db2.gz YYKSROBCPUSFTK-ZDUSSCGKSA-N 1 0 328.391 3.394 40 0 EGABRO c1csc(CN2CCOC3(CC[NH+](Cc4ccsc4)CC3)C2)n1 ZINC000096048975 203808799 /nfs/dbraw/zinc/80/87/99/203808799.db2.gz IXXAXWSLXFEZOT-UHFFFAOYSA-N 1 0 349.525 3.072 40 0 EGABRO CC(C)c1ccc([C@@H](CNC(=O)c2csnn2)[NH+]2CCCC2)cc1 ZINC000041154507 204007871 /nfs/dbraw/zinc/00/78/71/204007871.db2.gz BWFRODFZSQRSDP-QGZVFWFLSA-N 1 0 344.484 3.228 40 0 EGABRO CCOc1ccc(C[NH2+]Cc2cc3c(c(OC)c2)OCO3)cc1OC ZINC000042230143 204077986 /nfs/dbraw/zinc/07/79/86/204077986.db2.gz VMNXTEJXZAWOCB-UHFFFAOYSA-N 1 0 345.395 3.121 40 0 EGABRO CC[N@H+](C)[C@@H]1CN(C(=O)COc2ccccc2)C2(C1)CCCCC2 ZINC000257275271 284367887 /nfs/dbraw/zinc/36/78/87/284367887.db2.gz NOQMNWLELPWVGH-KRWDZBQOSA-N 1 0 330.472 3.321 40 0 EGABRO C[NH+](C)C1CCN(C(=O)/C=C/c2csc(Br)c2)CC1 ZINC000096407558 218758715 /nfs/dbraw/zinc/75/87/15/218758715.db2.gz VYYQHQIIFVTXRQ-ONEGZZNKSA-N 1 0 343.290 3.076 40 0 EGABRO CC1(C)CC(NC(=O)c2sccc2OC(F)F)CC(C)(C)[NH2+]1 ZINC000096444400 218825581 /nfs/dbraw/zinc/82/55/81/218825581.db2.gz XQGCPIYWYSCWLE-UHFFFAOYSA-N 1 0 332.416 3.389 40 0 EGABRO COc1ccccc1NC1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000096493108 218871145 /nfs/dbraw/zinc/87/11/45/218871145.db2.gz VEZRRULFPBLUBW-CTNGQTDRSA-N 1 0 338.451 3.230 40 0 EGABRO COc1ccc(F)cc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000097103686 218955028 /nfs/dbraw/zinc/95/50/28/218955028.db2.gz LGCKAYWIHLKTEY-CQSZACIVSA-N 1 0 335.423 3.174 40 0 EGABRO Cc1ccc(C(C)C)c(OCC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000171450826 144004210 /nfs/dbraw/zinc/00/42/10/144004210.db2.gz LLIWJLPDHUXADD-KRWDZBQOSA-N 1 0 330.472 3.194 40 0 EGABRO Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CC[NH+](CC2CC2)CC1 ZINC000096241789 292358992 /nfs/dbraw/zinc/35/89/92/292358992.db2.gz VUOQPVHBWBJNEE-LJQANCHMSA-N 1 0 341.499 3.455 40 0 EGABRO Cc1cc(NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc[nH+]1 ZINC000274380370 267227730 /nfs/dbraw/zinc/22/77/30/267227730.db2.gz SIADZNPATTUPAB-HZPDHXFCSA-N 1 0 339.439 3.252 40 0 EGABRO C[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@@H]1CCCOC1 ZINC000097099686 323214854 /nfs/dbraw/zinc/21/48/54/323214854.db2.gz BKBOJRUOBCLKKY-NSHDSACASA-N 1 0 338.249 3.184 40 0 EGABRO Cc1c(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cccc1N(C)C ZINC000097103692 323215157 /nfs/dbraw/zinc/21/51/57/323215157.db2.gz HZXFQVLHOXPYLZ-KRWDZBQOSA-N 1 0 344.503 3.401 40 0 EGABRO CC(=O)Nc1cc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)ccc1Cl ZINC000097376447 323215707 /nfs/dbraw/zinc/21/57/07/323215707.db2.gz BWMCTTMUEOFVQV-INIZCTEOSA-N 1 0 335.835 3.111 40 0 EGABRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+](C)CCc1ccc(Cl)cc1 ZINC000113266097 323216270 /nfs/dbraw/zinc/21/62/70/323216270.db2.gz WKULRCIQXPXTAM-CQSZACIVSA-N 1 0 348.878 3.192 40 0 EGABRO COc1cccc([C@@H](C)N2CCN(C(=O)Nc3ccccn3)CC2)c1 ZINC000240569370 455264652 /nfs/dbraw/zinc/26/46/52/455264652.db2.gz HAAOBVIWYISPBJ-OAHLLOKOSA-N 1 0 340.427 3.001 40 0 EGABRO COc1cc(C[C@H]([NH3+])Cc2c[nH]c3ccccc23)cc(OC)c1OC ZINC000006403568 452940575 /nfs/dbraw/zinc/94/05/75/452940575.db2.gz AVCDJNBVMZQBOT-HNNXBMFYSA-N 1 0 340.423 3.306 40 0 EGABRO Cc1ccccc1SCC(=O)NCc1ccccc1C[NH+](C)C ZINC000006992768 453016606 /nfs/dbraw/zinc/01/66/06/453016606.db2.gz FRJKQOGUNXAXOZ-UHFFFAOYSA-N 1 0 328.481 3.465 40 0 EGABRO COc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cc(C)on2)c1 ZINC000009980187 453269676 /nfs/dbraw/zinc/26/96/76/453269676.db2.gz HOOAKZSKMXCEGQ-MRXNPFEDSA-N 1 0 329.400 3.157 40 0 EGABRO OC1(Cn2cnc3ccccc32)CC[NH+](Cc2ccccc2F)CC1 ZINC000012133794 453345883 /nfs/dbraw/zinc/34/58/83/453345883.db2.gz CSSGQBQZFAXWBN-UHFFFAOYSA-N 1 0 339.414 3.203 40 0 EGABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCC[NH2+]C1 ZINC000012275196 453354375 /nfs/dbraw/zinc/35/43/75/453354375.db2.gz SPKNVWMZDYTDAL-LJQANCHMSA-N 1 0 328.412 3.125 40 0 EGABRO Cc1ccc(C2(O)CC[NH+](Cc3cnc4ccccc4n3)CC2)cc1 ZINC000012328173 453356024 /nfs/dbraw/zinc/35/60/24/453356024.db2.gz OEILZDQKXVSTJH-UHFFFAOYSA-N 1 0 333.435 3.422 40 0 EGABRO Nc1cccc(CCc2[nH+]c(N)nc(N)c2-c2ccc(Cl)cc2)c1 ZINC000013283483 453456191 /nfs/dbraw/zinc/45/61/91/453456191.db2.gz RUQDSRXGDWVTHC-UHFFFAOYSA-N 1 0 339.830 3.329 40 0 EGABRO CCc1cccc2cc(C[NH2+]Cc3ccc4c(c3)OCO4)c(=O)[nH]c21 ZINC000013566696 453471094 /nfs/dbraw/zinc/47/10/94/453471094.db2.gz DEHAAZZIMMCGGM-UHFFFAOYSA-N 1 0 336.391 3.109 40 0 EGABRO Cc1cccc(-c2cc(C[NH2+]CCc3ccco3)c3nnnn3c2)c1 ZINC000019235297 453655640 /nfs/dbraw/zinc/65/56/40/453655640.db2.gz OQKZMQNIHIRNKV-UHFFFAOYSA-N 1 0 333.395 3.025 40 0 EGABRO CO[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000067267508 453915720 /nfs/dbraw/zinc/91/57/20/453915720.db2.gz UIXSNYXSNQXSTR-OALUTQOASA-N 1 0 326.440 3.102 40 0 EGABRO C[NH+]1CCC(NC(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000056968251 454093185 /nfs/dbraw/zinc/09/31/85/454093185.db2.gz CKWPKFHSOFGKLZ-UHFFFAOYSA-N 1 0 347.311 3.437 40 0 EGABRO O=C(C[NH2+]C1CC1)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000095466789 454218695 /nfs/dbraw/zinc/21/86/95/454218695.db2.gz SWVWUGPOYGMBQW-KRWDZBQOSA-N 1 0 342.418 3.021 40 0 EGABRO OC1CC[NH+](CCCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000059363436 454257810 /nfs/dbraw/zinc/25/78/10/454257810.db2.gz VHQBRWHLHKWFMO-UHFFFAOYSA-N 1 0 337.773 3.013 40 0 EGABRO COc1ccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4ccoc4)C3)C2)cc1 ZINC000096047606 454270488 /nfs/dbraw/zinc/27/04/88/454270488.db2.gz ALNHPADQVLGLED-IEBWSBKVSA-N 1 0 328.412 3.134 40 0 EGABRO O=C(c1ccsc1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000096046657 454270523 /nfs/dbraw/zinc/27/05/23/454270523.db2.gz TYQKBMKOBYEFGR-UHFFFAOYSA-N 1 0 341.480 3.271 40 0 EGABRO c1csc(C[NH+]2CCC3(CC2)CN(Cc2nccs2)CCO3)c1 ZINC000096048973 454271686 /nfs/dbraw/zinc/27/16/86/454271686.db2.gz ORZGACZWZLOCBZ-UHFFFAOYSA-N 1 0 349.525 3.072 40 0 EGABRO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccccn1)CC2 ZINC000096051591 454272273 /nfs/dbraw/zinc/27/22/73/454272273.db2.gz SSKOPQGXDIYBBZ-SFHVURJKSA-N 1 0 339.439 3.191 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccoc2)C[C@]12CCN(c1ccccn1)C2 ZINC000096051141 454272886 /nfs/dbraw/zinc/27/28/86/454272886.db2.gz HKTBKJUXFGVCAM-KRWDZBQOSA-N 1 0 333.382 3.412 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccoc2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096051124 454273075 /nfs/dbraw/zinc/27/30/75/454273075.db2.gz ASTQOGNBZWPPLS-QGZVFWFLSA-N 1 0 333.382 3.412 40 0 EGABRO Cc1cccc(C[NH+]2CCC3(CC2)C(=O)N(C)[C@@H]3c2ccccc2)n1 ZINC000096080435 454279815 /nfs/dbraw/zinc/27/98/15/454279815.db2.gz QDAXZSWWLVVHTK-LJQANCHMSA-N 1 0 335.451 3.186 40 0 EGABRO COc1ccc2c(c1)C1(CCN(Cc3cccnc3)CC1)[N@@H+](C)CC2 ZINC000096100217 454282420 /nfs/dbraw/zinc/28/24/20/454282420.db2.gz OOSXHDDZVHDTBG-UHFFFAOYSA-N 1 0 337.467 3.069 40 0 EGABRO c1cc(C[NH+]2CCC3(CO[C@H](COCC4CCOCC4)C3)CC2)co1 ZINC000096106065 454283421 /nfs/dbraw/zinc/28/34/21/454283421.db2.gz SCKJYABAGFTROS-IBGZPJMESA-N 1 0 349.471 3.094 40 0 EGABRO c1csc(C[NH+]2CCC3(C[C@H](OCc4ccncc4)CO3)CC2)c1 ZINC000096106814 454284243 /nfs/dbraw/zinc/28/42/43/454284243.db2.gz RGDSSNDWKJXIQN-KRWDZBQOSA-N 1 0 344.480 3.483 40 0 EGABRO c1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cc1 ZINC000096106750 454284313 /nfs/dbraw/zinc/28/43/13/454284313.db2.gz RJBFTYGMWHVDIW-FQEVSTJZSA-N 1 0 338.451 3.422 40 0 EGABRO c1cc(C[NH+]2CCC3(C[C@H](Oc4ccccn4)CO3)CC2)cs1 ZINC000096106957 454284667 /nfs/dbraw/zinc/28/46/67/454284667.db2.gz IGXSPZKSZNLWNH-INIZCTEOSA-N 1 0 330.453 3.346 40 0 EGABRO Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccoc2)CC3)cs1 ZINC000096106796 454284776 /nfs/dbraw/zinc/28/47/76/454284776.db2.gz ZEHHZSCUSRAYEI-QGZVFWFLSA-N 1 0 348.468 3.385 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3nccs3)CC[C@H]2OC)cc1 ZINC000096110234 454285368 /nfs/dbraw/zinc/28/53/68/454285368.db2.gz OUZOPJAAKZHYDM-DOTOQJQBSA-N 1 0 332.469 3.231 40 0 EGABRO Fc1ccc(C[N@@H+]2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cc1 ZINC000096187124 454299648 /nfs/dbraw/zinc/29/96/48/454299648.db2.gz ZRIQIERUIDHNBE-AABGKKOBSA-N 1 0 342.414 3.169 40 0 EGABRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3Cc2cccnc2)o1 ZINC000096186345 454300446 /nfs/dbraw/zinc/30/04/46/454300446.db2.gz GPUAFJRULIKSGX-OALUTQOASA-N 1 0 339.439 3.003 40 0 EGABRO Cc1cc(C[NH2+][C@@H]2CCc3c(ccc(=O)n3CC3CC3)C2)oc1C ZINC000096189742 454301373 /nfs/dbraw/zinc/30/13/73/454301373.db2.gz FVKHVFRHQCGFJO-QGZVFWFLSA-N 1 0 326.440 3.115 40 0 EGABRO Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)n1 ZINC000096199596 454302868 /nfs/dbraw/zinc/30/28/68/454302868.db2.gz XXHBWGWDAGVTOD-LJQANCHMSA-N 1 0 335.451 3.028 40 0 EGABRO CCOC[C@@H]1CCC2(CCN(C(=O)C3CC=CC3)CC2)[N@@H+]1CC1CC1 ZINC000096206668 454303974 /nfs/dbraw/zinc/30/39/74/454303974.db2.gz LFSBWHHBIAWWPC-IBGZPJMESA-N 1 0 346.515 3.225 40 0 EGABRO COC[C@@H]1CCC2(CCN(C(=O)c3cccc(Cl)c3)CC2)[N@@H+]1C ZINC000096206515 454304400 /nfs/dbraw/zinc/30/44/00/454304400.db2.gz NTQMBBCRFBFMSL-INIZCTEOSA-N 1 0 336.863 3.055 40 0 EGABRO C[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(=O)C1=CCCCC1)CC2 ZINC000096209453 454305781 /nfs/dbraw/zinc/30/57/81/454305781.db2.gz LBRBQRAQCJQHPM-LJQANCHMSA-N 1 0 346.515 3.226 40 0 EGABRO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC000096216138 454306067 /nfs/dbraw/zinc/30/60/67/454306067.db2.gz OKOXZNXKKKMTLC-OAQYLSRUSA-N 1 0 336.483 3.273 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccccn2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096239608 454310584 /nfs/dbraw/zinc/31/05/84/454310584.db2.gz KAHDZXUOMSPHTH-GOSISDBHSA-N 1 0 344.409 3.214 40 0 EGABRO c1cc(C[N@@H+]2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)cs1 ZINC000096249426 454311751 /nfs/dbraw/zinc/31/17/51/454311751.db2.gz KNYGNVSNACRDIW-ROUUACIJSA-N 1 0 329.469 3.013 40 0 EGABRO C[NH+](C)C[C@@H]1CSCCCN1C(=O)Nc1cccc(Cl)c1 ZINC000090608914 454327094 /nfs/dbraw/zinc/32/70/94/454327094.db2.gz BKUDKPUDZYGYRP-CQSZACIVSA-N 1 0 327.881 3.241 40 0 EGABRO C[NH+](C)CCn1ccc2ccc(NC(=O)/C=C/c3cccnc3)cc21 ZINC000096418534 454334022 /nfs/dbraw/zinc/33/40/22/454334022.db2.gz RPAUTGDMUNOOJT-VMPITWQZSA-N 1 0 334.423 3.250 40 0 EGABRO CNC(=O)CC[N@H+](C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000096424556 454338615 /nfs/dbraw/zinc/33/86/15/454338615.db2.gz SBFZGPWHTQPOAK-HNNXBMFYSA-N 1 0 326.440 3.491 40 0 EGABRO CCCc1cc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)n[nH]1 ZINC000096436468 454347745 /nfs/dbraw/zinc/34/77/45/454347745.db2.gz AOPYBMBDBADDKX-UHFFFAOYSA-N 1 0 326.400 3.422 40 0 EGABRO O=C(C1CCC([NH2+]Cc2ccccc2F)CC1)N1CCSCC1 ZINC000078978655 454348228 /nfs/dbraw/zinc/34/82/28/454348228.db2.gz RTZLYBQFVJQFMA-UHFFFAOYSA-N 1 0 336.476 3.050 40 0 EGABRO COc1ccccc1/C=C/C[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000078979800 454348507 /nfs/dbraw/zinc/34/85/07/454348507.db2.gz ZVIZHZVDORSHBS-DYLGSBMWSA-N 1 0 338.407 3.390 40 0 EGABRO CCOc1ccccc1OCC[NH+]1CCC(c2noc(C)n2)CC1 ZINC000096441394 454350526 /nfs/dbraw/zinc/35/05/26/454350526.db2.gz WPECMQZZWHAKFS-UHFFFAOYSA-N 1 0 331.416 3.035 40 0 EGABRO CCCC(=O)Nc1cccc(NC(=O)N2CCC[N@@H+](CCC)CC2)c1 ZINC000079028683 454357946 /nfs/dbraw/zinc/35/79/46/454357946.db2.gz YWOYOUPDJDUGFN-UHFFFAOYSA-N 1 0 346.475 3.375 40 0 EGABRO COC[C@H]([NH2+]C1CCN(c2nc(C)cs2)CC1)c1ccc(C)o1 ZINC000096478906 454363870 /nfs/dbraw/zinc/36/38/70/454363870.db2.gz XIFICOMVPRCBMH-HNNXBMFYSA-N 1 0 335.473 3.299 40 0 EGABRO C[C@@H]([NH2+]C1(CNC(=O)C[C@@H]2C=CCC2)CCOCC1)c1ccccc1 ZINC000079096345 454367877 /nfs/dbraw/zinc/36/78/77/454367877.db2.gz PJPQVPKDPGKLEJ-QZTJIDSGSA-N 1 0 342.483 3.359 40 0 EGABRO CC(=O)NCCC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000096493334 454369694 /nfs/dbraw/zinc/36/96/94/454369694.db2.gz LSVGPCNBCHNNSX-JTQLQIEISA-N 1 0 339.233 3.372 40 0 EGABRO C[C@H]([NH2+][C@H]1CCC[C@H](N2C(=O)c3ccccc3C2=O)C1)c1ccncc1 ZINC000132891609 454374900 /nfs/dbraw/zinc/37/49/00/454374900.db2.gz SUBXMRPIHFNJMC-XIRDDKMYSA-N 1 0 349.434 3.340 40 0 EGABRO CN(C(=O)CCc1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000080504346 454591668 /nfs/dbraw/zinc/59/16/68/454591668.db2.gz WFSGJFLJXMFTRS-FQEVSTJZSA-N 1 0 337.467 3.137 40 0 EGABRO COCc1c(Cl)cccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000092929078 454655287 /nfs/dbraw/zinc/65/52/87/454655287.db2.gz BZQVIIYBNCHSHD-QWHCGFSZSA-N 1 0 337.851 3.187 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ncccn4)CO3)C2)s1 ZINC000107228209 454747267 /nfs/dbraw/zinc/74/72/67/454747267.db2.gz HECZIZUNNFBAFD-CRAIPNDOSA-N 1 0 345.468 3.049 40 0 EGABRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c(OC)c1 ZINC000127012527 454933006 /nfs/dbraw/zinc/93/30/06/454933006.db2.gz VTINTJNGDWCKSW-GDBMZVCRSA-N 1 0 346.471 3.146 40 0 EGABRO c1ccc([C@@H]([NH2+]CCc2nnc3n2CCCCC3)c2ccccn2)cc1 ZINC000180051996 455123584 /nfs/dbraw/zinc/12/35/84/455123584.db2.gz WNGFDAXZSCVDLA-OAQYLSRUSA-N 1 0 347.466 3.321 40 0 EGABRO O=S1(=O)CCC[C@@H]([NH2+]CCSCc2cccc3ccccc32)C1 ZINC000182565034 455541528 /nfs/dbraw/zinc/54/15/28/455541528.db2.gz DTFUCJMVZZMCOV-QGZVFWFLSA-N 1 0 349.521 3.240 40 0 EGABRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12Cc1ccccc1C2=O ZINC000248322756 455703770 /nfs/dbraw/zinc/70/37/70/455703770.db2.gz WWALFQLIWFZCOO-SIKLNZKXSA-N 1 0 349.430 3.107 40 0 EGABRO CCOc1ccc([C@@H]2SC(=[NH2+])N[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC000248382081 455709522 /nfs/dbraw/zinc/70/95/22/455709522.db2.gz VVRSZSPECIFBQS-ULQDDVLXSA-N 1 0 328.437 3.290 40 0 EGABRO c1ccc2c(c1)NCCC[C@@H]2[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 ZINC000193063780 455740526 /nfs/dbraw/zinc/74/05/26/455740526.db2.gz MIFREKNKZCZACN-APWZRJJASA-N 1 0 339.439 3.286 40 0 EGABRO CCc1nc2ccccc2n1C1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000193469091 455760593 /nfs/dbraw/zinc/76/05/93/455760593.db2.gz AUIIFSUGIDGCES-UHFFFAOYSA-N 1 0 335.455 3.413 40 0 EGABRO CO[C@H](C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 ZINC000252491259 455812035 /nfs/dbraw/zinc/81/20/35/455812035.db2.gz LJVKCLCTHLTMOT-QFBILLFUSA-N 1 0 332.488 3.247 40 0 EGABRO COC1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CCOCC1 ZINC000253415274 455841390 /nfs/dbraw/zinc/84/13/90/455841390.db2.gz HPVRMZDMNWRUKC-MRXNPFEDSA-N 1 0 346.471 3.053 40 0 EGABRO O[C@@H]1C[C@H](c2ccccc2C(F)(F)F)[N@H+](CC2=CCCOC2)C1 ZINC000253417067 455841942 /nfs/dbraw/zinc/84/19/42/455841942.db2.gz CMNZBURXCCECBS-CZUORRHYSA-N 1 0 327.346 3.160 40 0 EGABRO Cn1cc(C[NH+]2CCC3(CO[C@H](Cc4ccc(F)cc4)C3)CC2)cn1 ZINC000257301228 455886598 /nfs/dbraw/zinc/88/65/98/455886598.db2.gz RXNQHRFKVDRUTM-LJQANCHMSA-N 1 0 343.446 3.173 40 0 EGABRO Cc1csc(NC(=O)C2(Cc3ccccc3F)CC[NH+](C)CC2)n1 ZINC000257334670 455894478 /nfs/dbraw/zinc/89/44/78/455894478.db2.gz YGXMQPCVEJHWOE-UHFFFAOYSA-N 1 0 347.459 3.484 40 0 EGABRO COc1ccc([C@@H]2C[C@H](C)N(C(=O)C[C@@H]([NH3+])c3ccccc3)C2)cc1 ZINC000195544236 455982756 /nfs/dbraw/zinc/98/27/56/455982756.db2.gz DONGDOLUPYITIL-QKYXUNIQSA-N 1 0 338.451 3.490 40 0 EGABRO CCc1ccc(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)o1 ZINC000195542865 455983039 /nfs/dbraw/zinc/98/30/39/455983039.db2.gz JAIWCAOONKGHTA-UHFFFAOYSA-N 1 0 342.395 3.003 40 0 EGABRO COc1ccccc1N1CCC[C@H]([NH2+][C@@H](C)c2cnn(C)c2C)C1 ZINC000195553594 455983204 /nfs/dbraw/zinc/98/32/04/455983204.db2.gz STZJFBOMRWTQRE-HOCLYGCPSA-N 1 0 328.460 3.057 40 0 EGABRO C[C@H](Cc1ccccc1)C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000195569265 455985987 /nfs/dbraw/zinc/98/59/87/455985987.db2.gz IDUGHYPRXVNPLH-GOSISDBHSA-N 1 0 337.467 3.108 40 0 EGABRO C[C@@H](Cc1ccccc1)C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000195569263 455986171 /nfs/dbraw/zinc/98/61/71/455986171.db2.gz IDUGHYPRXVNPLH-SFHVURJKSA-N 1 0 337.467 3.108 40 0 EGABRO CO[C@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[C@H](C)C1 ZINC000225634848 456100532 /nfs/dbraw/zinc/10/05/32/456100532.db2.gz OVNZGYXIATZWIR-HNAYVOBHSA-N 1 0 334.460 3.161 40 0 EGABRO COCc1cc(F)ccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000188857829 456153071 /nfs/dbraw/zinc/15/30/71/456153071.db2.gz XEZSQTXZGLXZBS-OAHLLOKOSA-N 1 0 349.450 3.312 40 0 EGABRO OCCn1nccc1C1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000188925317 456172866 /nfs/dbraw/zinc/17/28/66/456172866.db2.gz XOMYEPMOQLONOI-UHFFFAOYSA-N 1 0 337.826 3.048 40 0 EGABRO C[C@H](c1ccsc1)N1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000329792052 456940520 /nfs/dbraw/zinc/94/05/20/456940520.db2.gz FDZWUCJLTPHKLP-CYBMUJFWSA-N 1 0 340.452 3.143 40 0 EGABRO FCc1cccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1F ZINC000390823251 457442052 /nfs/dbraw/zinc/44/20/52/457442052.db2.gz WWPBLQICBNGNAH-UHFFFAOYSA-N 1 0 344.369 3.103 40 0 EGABRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000390833717 457446632 /nfs/dbraw/zinc/44/66/32/457446632.db2.gz LXFCMCKFLDTOQA-GOSISDBHSA-N 1 0 335.451 3.471 40 0 EGABRO CCOc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)nc(C)n3)C2)cc1 ZINC000596684515 459728048 /nfs/dbraw/zinc/72/80/48/459728048.db2.gz SOKAVLAGOWESPR-GOSISDBHSA-N 1 0 340.471 3.251 40 0 EGABRO COc1cc(C)c(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1F ZINC000585101429 459823024 /nfs/dbraw/zinc/82/30/24/459823024.db2.gz MRYZVZROKXDTQB-ZDUSSCGKSA-N 1 0 337.439 3.385 40 0 EGABRO Cc1cccc(OC[C@]2(O)COCC[N@@H+](C3CCC(C)(C)CC3)C2)c1 ZINC000585285187 459832432 /nfs/dbraw/zinc/83/24/32/459832432.db2.gz CROLUMUOZAYBLE-OAQYLSRUSA-N 1 0 347.499 3.406 40 0 EGABRO COc1ccc(NC(=O)NC[C@H]2C[N@H+](C)C[C@@H]2c2cccs2)cc1 ZINC000227150469 536798251 /nfs/dbraw/zinc/79/82/51/536798251.db2.gz XBOVYNUCTICSID-BBRMVZONSA-N 1 0 345.468 3.224 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@H](F)[C@@]3(CCN(C(=O)c4ccco4)C3)C2)o1 ZINC000306125654 547459602 /nfs/dbraw/zinc/45/96/02/547459602.db2.gz CXBOOBAJAYUFNG-HKUYNNGSSA-N 1 0 346.402 3.257 40 0 EGABRO Oc1cc(Cl)cc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1 ZINC000894570043 1308960314 /nfs/dbraw/zinc/96/03/14/1308960314.db2.gz RNFCRWMIVQOKED-QGZVFWFLSA-N 1 0 332.831 3.224 40 0 EGABRO Cc1ncc(-c2nccnc2CC2CC[NH+](C3CCCC3)CC2)n1C ZINC000257245935 282140443 /nfs/dbraw/zinc/14/04/43/282140443.db2.gz IRTITDDOKPDNTF-UHFFFAOYSA-N 1 0 339.487 3.383 40 0 EGABRO COC(=O)c1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)o1 ZINC000004315212 210167114 /nfs/dbraw/zinc/16/71/14/210167114.db2.gz OZOBTZLPADTGTE-UHFFFAOYSA-N 1 0 339.395 3.322 40 0 EGABRO O=C(CCCc1nc2ccccc2s1)NCC[NH+]1CCCCC1 ZINC000040107522 213265500 /nfs/dbraw/zinc/26/55/00/213265500.db2.gz JKFYUMDAWYZONU-UHFFFAOYSA-N 1 0 331.485 3.221 40 0 EGABRO C[N@@H+]1CCCN(C(=O)c2cccnc2Sc2ccccc2)CC1 ZINC000039264319 213232784 /nfs/dbraw/zinc/23/27/84/213232784.db2.gz CAAYHVXFPCMEGF-UHFFFAOYSA-N 1 0 327.453 3.011 40 0 EGABRO CCOc1c(Cl)cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1OC ZINC000072324688 216151120 /nfs/dbraw/zinc/15/11/20/216151120.db2.gz KZURJJCKLMCGII-HIFRSBDPSA-N 1 0 338.879 3.416 40 0 EGABRO Cc1cnc(NC(=O)CCc2cc(C)nc([C@@H]3CCC[N@H+]3C)c2)s1 ZINC000072366844 216171639 /nfs/dbraw/zinc/17/16/39/216171639.db2.gz AQYGPWZOWCOIJE-INIZCTEOSA-N 1 0 344.484 3.493 40 0 EGABRO c1ccc(CC[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377572 216179974 /nfs/dbraw/zinc/17/99/74/216179974.db2.gz PTOVMDNXRSCZJI-SFHVURJKSA-N 1 0 346.438 3.390 40 0 EGABRO CC(C)(C)OC(=O)NC1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000072578083 216276889 /nfs/dbraw/zinc/27/68/89/216276889.db2.gz OUOUQGDCDKLUOC-UHFFFAOYSA-N 1 0 346.471 3.153 40 0 EGABRO COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000073368804 216381887 /nfs/dbraw/zinc/38/18/87/216381887.db2.gz KKFLYCQTSJXWSB-WOJBJXKFSA-N 1 0 341.451 3.410 40 0 EGABRO COC1CCC([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000195560481 241009280 /nfs/dbraw/zinc/00/92/80/241009280.db2.gz FCQFYMRHZDNKQI-UHFFFAOYSA-N 1 0 326.481 3.370 40 0 EGABRO C[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)Sc1ccccc1 ZINC000075805088 216657054 /nfs/dbraw/zinc/65/70/54/216657054.db2.gz KCWZMMPVOBUTOF-OAHLLOKOSA-N 1 0 335.517 3.150 40 0 EGABRO c1ncc(C[NH+]2CCC(c3ccnc(Nc4ccccn4)c3)CC2)[nH]1 ZINC000257218412 244173625 /nfs/dbraw/zinc/17/36/25/244173625.db2.gz DDBFEXYXYMIECM-UHFFFAOYSA-N 1 0 334.427 3.323 40 0 EGABRO CCOc1ccc(CN2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)cc1 ZINC000257217383 244171451 /nfs/dbraw/zinc/17/14/51/244171451.db2.gz CYSCRFIBZAFDGF-LJQANCHMSA-N 1 0 340.471 3.274 40 0 EGABRO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1cc(-c2ncc[nH]2)nc(C)n1 ZINC000257233201 244220100 /nfs/dbraw/zinc/22/01/00/244220100.db2.gz GOFROWLXVKDFOQ-HNNXBMFYSA-N 1 0 340.456 3.277 40 0 EGABRO CC1(c2nccs2)CCN(C(=O)CC[NH+]2CCCCCC2)CC1 ZINC000257236730 244230617 /nfs/dbraw/zinc/23/06/17/244230617.db2.gz HDMNQOJYTSAZOY-UHFFFAOYSA-N 1 0 335.517 3.289 40 0 EGABRO Cc1nc(C2CC[NH2+]CC2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000257283407 244412670 /nfs/dbraw/zinc/41/26/70/244412670.db2.gz OYDWDBPDDAXYGL-UHFFFAOYSA-N 1 0 330.819 3.158 40 0 EGABRO COc1ccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c(OC)c1 ZINC000019842182 212075626 /nfs/dbraw/zinc/07/56/26/212075626.db2.gz GYEMFVMJQAHSIM-ZIFCJYIRSA-N 1 0 342.483 3.034 40 0 EGABRO COCC[NH+]1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019703715 212055402 /nfs/dbraw/zinc/05/54/02/212055402.db2.gz RRUWSKLKBUJUQR-FQEVSTJZSA-N 1 0 344.499 3.174 40 0 EGABRO CCCn1nc(C)c(-c2cncn2[C@@H](CC)C[NH+]2CCOCC2)c1C ZINC000019654594 212052406 /nfs/dbraw/zinc/05/24/06/212052406.db2.gz MQYUSWXQXLLAST-KRWDZBQOSA-N 1 0 345.491 3.057 40 0 EGABRO C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)C1CC1 ZINC000019590801 212047993 /nfs/dbraw/zinc/04/79/93/212047993.db2.gz NMEDAYODZYVFBG-OTWHNJEPSA-N 1 0 330.447 3.405 40 0 EGABRO C[NH+](C)CCN(Cc1cccs1)Cc1n[nH]nc1-c1ccccc1 ZINC000019582663 212047619 /nfs/dbraw/zinc/04/76/19/212047619.db2.gz JNAMTTAICOYQSV-UHFFFAOYSA-N 1 0 341.484 3.097 40 0 EGABRO COc1cccc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1OC ZINC000019567948 212044087 /nfs/dbraw/zinc/04/40/87/212044087.db2.gz BKVRQJVVBDBNDZ-LZLYRXPVSA-N 1 0 330.472 3.010 40 0 EGABRO CCc1ccc(C[N@@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)o1 ZINC000019522920 212036834 /nfs/dbraw/zinc/03/68/34/212036834.db2.gz MNORGWWSWVOCMK-AWEZNQCLSA-N 1 0 339.443 3.155 40 0 EGABRO Cc1c(C(=O)NCC[NH+]2CCC(C)CC2)oc2c1[C@H](O)CC(C)(C)C2 ZINC000019565242 291523189 /nfs/dbraw/zinc/52/31/89/291523189.db2.gz MLUWTSDFRUDOKV-OAHLLOKOSA-N 1 0 348.487 3.056 40 0 EGABRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000079333636 217210253 /nfs/dbraw/zinc/21/02/53/217210253.db2.gz QIXKIQCDYRSKHS-DOTOQJQBSA-N 1 0 341.455 3.408 40 0 EGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000079420646 217223540 /nfs/dbraw/zinc/22/35/40/217223540.db2.gz CQOSJXBZPZISFH-AWEZNQCLSA-N 1 0 327.266 3.169 40 0 EGABRO O=C(c1ccccc1)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257343866 296259375 /nfs/dbraw/zinc/25/93/75/296259375.db2.gz ZURZXLDLIVLLRW-IBGZPJMESA-N 1 0 336.435 3.245 40 0 EGABRO Cc1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000012441464 211383458 /nfs/dbraw/zinc/38/34/58/211383458.db2.gz MMZAVCUAKVSBKN-UHFFFAOYSA-N 1 0 344.908 3.047 40 0 EGABRO Cc1cc(-c2snnc2C2CC[NH+](Cc3ccoc3)CC2)on1 ZINC000012223984 211324783 /nfs/dbraw/zinc/32/47/83/211324783.db2.gz YVQSFKFOFKJVNL-UHFFFAOYSA-N 1 0 330.413 3.474 40 0 EGABRO Fc1ccc(C[NH+]2CCC(c3nc(-c4ccncc4)n[nH]3)CC2)cc1 ZINC000012114889 211294616 /nfs/dbraw/zinc/29/46/16/211294616.db2.gz VTUNHFUQRPLRRI-UHFFFAOYSA-N 1 0 337.402 3.385 40 0 EGABRO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)n1cnc2ccccc21 ZINC000012148559 211308121 /nfs/dbraw/zinc/30/81/21/211308121.db2.gz SGFVFIPOMBHZGP-AEFFLSMTSA-N 1 0 342.487 3.224 40 0 EGABRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2ccco2)CC1 ZINC000091933918 218091330 /nfs/dbraw/zinc/09/13/30/218091330.db2.gz AZRWKCJWEDCDBE-UHFFFAOYSA-N 1 0 334.803 3.489 40 0 EGABRO C[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1ncc(C(C)(C)C)o1 ZINC000095406478 218342320 /nfs/dbraw/zinc/34/23/20/218342320.db2.gz MHLYEXWUTBYEJQ-HNNXBMFYSA-N 1 0 335.492 3.268 40 0 EGABRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)C1 ZINC000096433879 218810253 /nfs/dbraw/zinc/81/02/53/218810253.db2.gz ZHBJGYBUVWTRQX-KRWDZBQOSA-N 1 0 346.475 3.229 40 0 EGABRO COc1ccc2c(c1)C1(C[C@H]2[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000079027398 286387322 /nfs/dbraw/zinc/38/73/22/286387322.db2.gz ZJUZFFVXVMFGPU-MRXNPFEDSA-N 1 0 332.444 3.367 40 0 EGABRO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114425221 162231445 /nfs/dbraw/zinc/23/14/45/162231445.db2.gz PGQPCSVQHUHEHL-DFBGVHRSSA-N 1 0 326.362 3.052 40 0 EGABRO Cc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1Cl ZINC000195450117 266183751 /nfs/dbraw/zinc/18/37/51/266183751.db2.gz TWHTUMNPTWOPTJ-UHFFFAOYSA-N 1 0 349.837 3.309 40 0 EGABRO Cc1cc(NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc[nH+]1 ZINC000274380366 267227221 /nfs/dbraw/zinc/22/72/21/267227221.db2.gz SIADZNPATTUPAB-HOTGVXAUSA-N 1 0 339.439 3.252 40 0 EGABRO CN1c2ccc(C[NH2+]C[C@H]3CCOc4ccccc43)cc2CCC1=O ZINC000187226964 273943217 /nfs/dbraw/zinc/94/32/17/273943217.db2.gz PUEKIWYTDNRFKE-QGZVFWFLSA-N 1 0 336.435 3.252 40 0 EGABRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2csc(-c3ccccc3)n2)N1 ZINC000012547698 274943310 /nfs/dbraw/zinc/94/33/10/274943310.db2.gz NHUHDPKIGQBZII-HNNXBMFYSA-N 1 0 346.419 3.256 40 0 EGABRO CN(C)C(=O)CC1CCC2(CC1)CC[NH+](Cc1ccccn1)CC2 ZINC000096159361 276739940 /nfs/dbraw/zinc/73/99/40/276739940.db2.gz FDNFCUJGYOTTKK-UHFFFAOYSA-N 1 0 329.488 3.332 40 0 EGABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096052730 276754102 /nfs/dbraw/zinc/75/41/02/276754102.db2.gz VXEMJTOFDHTGMX-KRWDZBQOSA-N 1 0 326.484 3.396 40 0 EGABRO CNC(=O)c1sc2nc([C@H]3CCCC[N@@H+]3CC3CC3)ccc2c1N ZINC000257323945 277262495 /nfs/dbraw/zinc/26/24/95/277262495.db2.gz WMNIPBDDHSRQHD-CQSZACIVSA-N 1 0 344.484 3.175 40 0 EGABRO O=C1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3ccc(F)cc3)CC2)N1 ZINC000096061416 280269706 /nfs/dbraw/zinc/26/97/06/280269706.db2.gz HLCJHXWYQKFIHZ-IBGZPJMESA-N 1 0 338.426 3.464 40 0 EGABRO C[C@@H](O)C[NH2+]CCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000038240429 453940468 /nfs/dbraw/zinc/94/04/68/453940468.db2.gz ALKUVWBBKJFPKD-LLVKDONJSA-N 1 0 343.254 3.313 40 0 EGABRO CC(C)NC(=O)Nc1ccc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)cc1 ZINC000097376344 323215520 /nfs/dbraw/zinc/21/55/20/323215520.db2.gz DESRGSWZAVBVEZ-QGZVFWFLSA-N 1 0 344.459 3.029 40 0 EGABRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000189900251 455251761 /nfs/dbraw/zinc/25/17/61/455251761.db2.gz VTOCZENKZMWWPM-KUHUBIRLSA-N 1 0 325.387 3.396 40 0 EGABRO OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccncc1 ZINC000241301087 455266465 /nfs/dbraw/zinc/26/64/65/455266465.db2.gz LQGXZETUVHFAIK-UFRUDQCGSA-N 1 0 344.405 3.460 40 0 EGABRO CC(C)(C[NH2+][C@H](c1ccncc1)c1ccc(F)cc1)N1CCOCC1 ZINC000183297088 455273189 /nfs/dbraw/zinc/27/31/89/455273189.db2.gz BUQZZGCFJBQUBQ-IBGZPJMESA-N 1 0 343.446 3.011 40 0 EGABRO CN(C)CC(C[NH+](C)C)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000001591432 452669767 /nfs/dbraw/zinc/66/97/67/452669767.db2.gz VPVNBEBVBPCHMS-UHFFFAOYSA-N 1 0 326.440 3.401 40 0 EGABRO CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCCC3)ccc21 ZINC000012291600 453354006 /nfs/dbraw/zinc/35/40/06/453354006.db2.gz SNCOFFGAPUFHET-SFHVURJKSA-N 1 0 330.472 3.141 40 0 EGABRO Cc1cc2nc([C@H]3CCC[N@H+](CCCc4ccccc4)C3)cc(N)n2n1 ZINC000012667422 453391321 /nfs/dbraw/zinc/39/13/21/453391321.db2.gz JMPQJZMZFPOLBB-SFHVURJKSA-N 1 0 349.482 3.432 40 0 EGABRO Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)s1 ZINC000013569046 453472757 /nfs/dbraw/zinc/47/27/57/453472757.db2.gz DXYUNPFITSPGIZ-UHFFFAOYSA-N 1 0 345.512 3.176 40 0 EGABRO CCOc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccccc3F)cc2c1 ZINC000013998943 453497583 /nfs/dbraw/zinc/49/75/83/453497583.db2.gz VSIOACMOOIEOKA-UHFFFAOYSA-N 1 0 326.371 3.356 40 0 EGABRO Cc1ccc(C)c([C@@H](O)C[NH+]2CCC(Oc3cccnc3)CC2)c1 ZINC000019132013 453654493 /nfs/dbraw/zinc/65/44/93/453654493.db2.gz VTCRADOLORYNGX-FQEVSTJZSA-N 1 0 326.440 3.275 40 0 EGABRO Cc1cccc(-n2cccc2CN(CC[NH+](C)C)Cc2ccccn2)n1 ZINC000019236400 453655096 /nfs/dbraw/zinc/65/50/96/453655096.db2.gz ALUQJZSEQXHZHV-UHFFFAOYSA-N 1 0 349.482 3.140 40 0 EGABRO CC(C)[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1cccs1 ZINC000029189697 453827240 /nfs/dbraw/zinc/82/72/40/453827240.db2.gz NLFDRLDLLVRBPE-MRXNPFEDSA-N 1 0 328.437 3.331 40 0 EGABRO COCc1ccccc1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000029666344 453830569 /nfs/dbraw/zinc/83/05/69/453830569.db2.gz NQCBMVAZHHHELP-INIZCTEOSA-N 1 0 338.451 3.010 40 0 EGABRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000030869771 453840142 /nfs/dbraw/zinc/84/01/42/453840142.db2.gz AVXBRHVMTBVMNX-HNNXBMFYSA-N 1 0 338.879 3.490 40 0 EGABRO C[N@H+](CCCNC(=O)N1CCc2ccccc2C1)Cc1ccccc1 ZINC000032795512 453891414 /nfs/dbraw/zinc/89/14/14/453891414.db2.gz RHXZYDLTUHRBRP-UHFFFAOYSA-N 1 0 337.467 3.276 40 0 EGABRO COc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)ccc1OC1CCCC1 ZINC000057811511 454148051 /nfs/dbraw/zinc/14/80/51/454148051.db2.gz HMUHTKQPTVOTGX-KRWDZBQOSA-N 1 0 332.488 3.400 40 0 EGABRO CC(C)(CN1CCC(O)(c2ccccc2F)CC1)C[NH+]1CCCC1 ZINC000057823230 454148518 /nfs/dbraw/zinc/14/85/18/454148518.db2.gz SSEHPLJOTRTCSQ-UHFFFAOYSA-N 1 0 334.479 3.231 40 0 EGABRO CCn1c2ccccc2nc1[C@@H](C)[NH2+]CCC(=O)N1CCC[C@H]1C ZINC000119403699 454193379 /nfs/dbraw/zinc/19/33/79/454193379.db2.gz VFKZVTPFEINILY-HUUCEWRRSA-N 1 0 328.460 3.108 40 0 EGABRO FC(F)(F)CN1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccncc2)C1 ZINC000095420997 454208573 /nfs/dbraw/zinc/20/85/73/454208573.db2.gz KFUKSQNHQYUDPH-IAGOWNOFSA-N 1 0 335.373 3.397 40 0 EGABRO O=C(c1ccsc1)N1CCC2(CC[N@H+](CC3CCOCC3)C2)CC1 ZINC000096046659 454270512 /nfs/dbraw/zinc/27/05/12/454270512.db2.gz JORBTIDJYLTDMO-UHFFFAOYSA-N 1 0 348.512 3.103 40 0 EGABRO Cc1nc(CN2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)cs1 ZINC000096053868 454272938 /nfs/dbraw/zinc/27/29/38/454272938.db2.gz KOGNKYBZULBAMP-HZPDHXFCSA-N 1 0 331.460 3.154 40 0 EGABRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4c(C)noc4C)C3)CC2=O)s1 ZINC000096050867 454273051 /nfs/dbraw/zinc/27/30/51/454273051.db2.gz KTGCCOVSLHNXKI-SFHVURJKSA-N 1 0 345.468 3.290 40 0 EGABRO Fc1cccc(O[C@@H]2C[C@@H]3CN(Cc4ccsc4)CC[N@@H+]3C2)c1 ZINC000096055140 454273762 /nfs/dbraw/zinc/27/37/62/454273762.db2.gz AYIWWODBHTWUJB-SJLPKXTDSA-N 1 0 332.444 3.225 40 0 EGABRO Cc1ccc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)o1 ZINC000096057142 454274719 /nfs/dbraw/zinc/27/47/19/454274719.db2.gz PFGPWXVFYQXBSC-DBVUQKKJSA-N 1 0 344.455 3.292 40 0 EGABRO Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1[C@H](O)c1ccccc1 ZINC000072223709 454275775 /nfs/dbraw/zinc/27/57/75/454275775.db2.gz PGTBARZPJWFEJR-HXUWFJFHSA-N 1 0 325.456 3.002 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CCC2(C1)CCN(Cc1nccs1)CC2 ZINC000096062883 454279023 /nfs/dbraw/zinc/27/90/23/454279023.db2.gz DJGFFDHTIBPSDF-UHFFFAOYSA-N 1 0 346.500 3.236 40 0 EGABRO Cc1cccc(CN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)n1 ZINC000096079730 454280360 /nfs/dbraw/zinc/28/03/60/454280360.db2.gz QURLTQGQIZPDBD-LJQANCHMSA-N 1 0 337.467 3.468 40 0 EGABRO Fc1cccnc1O[C@@H]1CO[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096107677 454286180 /nfs/dbraw/zinc/28/61/80/454286180.db2.gz AWBHUGMPHIJDDR-YOEHRIQHSA-N 1 0 334.416 3.095 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3ccccn3)CC[C@@H]2OC)cc1 ZINC000096110549 454287454 /nfs/dbraw/zinc/28/74/54/454287454.db2.gz PURDKRVCQXBQII-PXNSSMCTSA-N 1 0 326.440 3.170 40 0 EGABRO CC[N@@H+]1CCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCOC ZINC000072370376 454294692 /nfs/dbraw/zinc/29/46/92/454294692.db2.gz FQPKOQBOFJQBQZ-AWEZNQCLSA-N 1 0 346.496 3.304 40 0 EGABRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(F)cc2Br)C1 ZINC000046878546 454296771 /nfs/dbraw/zinc/29/67/71/454296771.db2.gz OATBFQVOUFNOMA-LLVKDONJSA-N 1 0 343.240 3.050 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@@]23CCN(Cc2nccs2)C3)n1 ZINC000096203072 454302097 /nfs/dbraw/zinc/30/20/97/454302097.db2.gz OEMLXNUMAUYEAD-SFHVURJKSA-N 1 0 328.485 3.087 40 0 EGABRO Cc1ccc(N2CCC[C@@]3(CC[N@H+](Cc4ccc(F)cc4)C3)C2)nn1 ZINC000096216992 454307414 /nfs/dbraw/zinc/30/74/14/454307414.db2.gz DBUNFDGAQHGFJG-FQEVSTJZSA-N 1 0 340.446 3.417 40 0 EGABRO c1csc(C[N@@H+]2CC[C@H]3OCCN(c4cccnc4)[C@H]3CC2)c1 ZINC000096249430 454312012 /nfs/dbraw/zinc/31/20/12/454312012.db2.gz XUCSKECROGLCQN-ZWKOTPCHSA-N 1 0 329.469 3.013 40 0 EGABRO O=C(N[C@@H](c1ccccc1)C1CCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096404097 454323356 /nfs/dbraw/zinc/32/33/56/454323356.db2.gz LRJSMPHHHRJMHW-QRVBRYPASA-N 1 0 327.472 3.454 40 0 EGABRO O=C(C[C@H]1CCOc2ccccc21)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000096426733 454339370 /nfs/dbraw/zinc/33/93/70/454339370.db2.gz CVCFXRNCGMEHTO-QZTJIDSGSA-N 1 0 342.483 3.277 40 0 EGABRO CCc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000096432956 454343682 /nfs/dbraw/zinc/34/36/82/454343682.db2.gz AZVYVHZIFMTEEM-QGZVFWFLSA-N 1 0 326.440 3.436 40 0 EGABRO O=C(NCc1csc(C2CC2)n1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000096440144 454349633 /nfs/dbraw/zinc/34/96/33/454349633.db2.gz RCISWOUTAJRNKO-HNNXBMFYSA-N 1 0 348.516 3.084 40 0 EGABRO CCn1nc(C)cc1C(=O)OC1CC[NH+](Cc2ccsc2)CC1 ZINC000096442743 454350369 /nfs/dbraw/zinc/35/03/69/454350369.db2.gz XEACUFMCIDZIKL-UHFFFAOYSA-N 1 0 333.457 3.094 40 0 EGABRO O=C(Nc1cccc(F)c1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000096444418 454351679 /nfs/dbraw/zinc/35/16/79/454351679.db2.gz POPKMKSSLOFRKQ-UHFFFAOYSA-N 1 0 343.402 3.426 40 0 EGABRO COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)[C@H](C)OC)CCOCC1 ZINC000096476697 454362874 /nfs/dbraw/zinc/36/28/74/454362874.db2.gz WEXPRCRXNVRFIH-KBPBESRZSA-N 1 0 341.879 3.410 40 0 EGABRO COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)[C@@H](C)OC)CCOCC1 ZINC000096476694 454363155 /nfs/dbraw/zinc/36/31/55/454363155.db2.gz WEXPRCRXNVRFIH-UONOGXRCSA-N 1 0 341.879 3.410 40 0 EGABRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](C[C@H](O)COC(C)(C)C)C3)nc2c1 ZINC000096490646 454368592 /nfs/dbraw/zinc/36/85/92/454368592.db2.gz XKOYWPCBIOFVOA-HOTGVXAUSA-N 1 0 345.487 3.227 40 0 EGABRO C[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(F)cc1F ZINC000096490715 454368908 /nfs/dbraw/zinc/36/89/08/454368908.db2.gz OLBBHWLUIYQZMP-JTQLQIEISA-N 1 0 337.345 3.366 40 0 EGABRO COc1cc(Br)ccc1C[NH2+]CCc1cscn1 ZINC000096500756 454372152 /nfs/dbraw/zinc/37/21/52/454372152.db2.gz UDHPTZCDRKQUFJ-UHFFFAOYSA-N 1 0 327.247 3.247 40 0 EGABRO COCc1ccc([C@H]2CCCN2C(=O)Nc2cc(N(C)C)cc[nH+]2)o1 ZINC000097094932 454405638 /nfs/dbraw/zinc/40/56/38/454405638.db2.gz AAXNVGGFENFJOX-OAHLLOKOSA-N 1 0 344.415 3.256 40 0 EGABRO C[NH+]1CCC(NC(=O)Nc2ccc(COc3ccccc3)cc2)CC1 ZINC000091203627 454408409 /nfs/dbraw/zinc/40/84/09/454408409.db2.gz YJZLWEXXJIYGHD-UHFFFAOYSA-N 1 0 339.439 3.481 40 0 EGABRO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000097233871 454428939 /nfs/dbraw/zinc/42/89/39/454428939.db2.gz SEQQJUWCRNUFSG-ACJLOTCBSA-N 1 0 348.878 3.096 40 0 EGABRO C[C@@H](C(=O)N(C)Cc1nc(C(F)(F)F)cs1)[NH+]1CCCCCC1 ZINC000074456449 454586820 /nfs/dbraw/zinc/58/68/20/454586820.db2.gz GKYLKEHUIYNYDM-NSHDSACASA-N 1 0 349.422 3.385 40 0 EGABRO C[C@@H](O)c1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1[S@@]2=O ZINC000065742888 454617187 /nfs/dbraw/zinc/61/71/87/454617187.db2.gz PMRKLUFRQDNKCL-JBEBIEQOSA-N 1 0 344.480 3.310 40 0 in-vitro EGABRO Cc1ccc(F)c(C[NH+]2CCC3(CC(NC(=O)N(C)C)C3)CC2)c1 ZINC000108530815 454801171 /nfs/dbraw/zinc/80/11/71/454801171.db2.gz UEDJWIYSXGXQAH-UHFFFAOYSA-N 1 0 333.451 3.150 40 0 EGABRO Cc1cccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)n1 ZINC000108534703 454802568 /nfs/dbraw/zinc/80/25/68/454802568.db2.gz FVIFZRNMZLMNAK-UYAOXDASSA-N 1 0 327.472 3.005 40 0 EGABRO Cn1cc(-c2cc(CN3CCSC[C@H]3c3ccccc3)on2)cn1 ZINC000185005663 455485189 /nfs/dbraw/zinc/48/51/89/455485189.db2.gz HWWHKVQZSKCYGH-SFHVURJKSA-N 1 0 340.452 3.365 40 0 EGABRO Fc1cccnc1OCC[C@H]1CCOC12CC[NH+](CC1CC1)CC2 ZINC000247558610 455624748 /nfs/dbraw/zinc/62/47/48/455624748.db2.gz YADBJZSUHVTQMJ-INIZCTEOSA-N 1 0 334.435 3.271 40 0 EGABRO O[C@]1(c2cccnc2)CCC[C@H]2C[N@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC000248071522 455677755 /nfs/dbraw/zinc/67/77/55/455677755.db2.gz YHQYVBJFVDONSK-QMIHWGKISA-N 1 0 344.405 3.480 40 0 EGABRO C[C@H]1[C@H](CC[NH+](C)C)COCCN1C(=O)c1ccc2ccccc2c1 ZINC000248078119 455678585 /nfs/dbraw/zinc/67/85/85/455678585.db2.gz CFXMKCIVZNFJJU-OXJNMPFZSA-N 1 0 340.467 3.269 40 0 EGABRO COc1ccc2c(c1)[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)CC2 ZINC000278146738 455770163 /nfs/dbraw/zinc/77/01/63/455770163.db2.gz NMLDFMZCEQXAGZ-MRXNPFEDSA-N 1 0 330.472 3.150 40 0 EGABRO COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc2c1CC[N@H+](C)C2 ZINC000252494423 455813457 /nfs/dbraw/zinc/81/34/57/455813457.db2.gz NUYIOMALZSOSKS-ZWKOTPCHSA-N 1 0 336.435 3.425 40 0 EGABRO CCc1ccc([C@@H]2[C@H]([NH3+])[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000252514821 455819019 /nfs/dbraw/zinc/81/90/19/455819019.db2.gz DZGNFKWOJLTSQU-IKGGRYGDSA-N 1 0 335.856 3.169 40 0 EGABRO O[C@@H]1C[C@@H](c2ccccc2C(F)(F)F)[N@H+](CC2=CCCOC2)C1 ZINC000253417064 455841788 /nfs/dbraw/zinc/84/17/88/455841788.db2.gz CMNZBURXCCECBS-CJNGLKHVSA-N 1 0 327.346 3.160 40 0 EGABRO Cc1nnc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000253418479 455843537 /nfs/dbraw/zinc/84/35/37/455843537.db2.gz QYXBSRYVHXQKCR-PBHICJAKSA-N 1 0 330.501 3.331 40 0 EGABRO C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[NH2+]CCN ZINC000253531188 455851763 /nfs/dbraw/zinc/85/17/63/455851763.db2.gz UCLYPBSPTCWPOQ-TWHJCCPZSA-N 1 0 334.548 3.307 40 0 biogenic EGABRO CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CC[NH+](Cc1ccccn1)CC2 ZINC000257218794 455880345 /nfs/dbraw/zinc/88/03/45/455880345.db2.gz DEKXREJCYPDFRW-FQEVSTJZSA-N 1 0 349.478 3.137 40 0 EGABRO CN(CCO)C(=O)c1sc2ccccc2c1C[C@H]1CCCCC[NH2+]1 ZINC000257245408 455880877 /nfs/dbraw/zinc/88/08/77/455880877.db2.gz IPIULMMZKFJEML-CQSZACIVSA-N 1 0 346.496 3.040 40 0 EGABRO Cc1c[nH]c(-c2cc(C[C@@H]3CCC[N@H+](Cc4cccnc4)C3)ncn2)n1 ZINC000257297486 455885339 /nfs/dbraw/zinc/88/53/39/455885339.db2.gz RHLCEXUOMSKBBS-INIZCTEOSA-N 1 0 348.454 3.025 40 0 EGABRO CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@@H+]2Cc1ccccn1 ZINC000257302517 455886969 /nfs/dbraw/zinc/88/69/69/455886969.db2.gz SDEWFVNQOITYAC-FKBYEOEOSA-N 1 0 349.478 3.451 40 0 EGABRO Cc1cccc(C)c1OCC(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@H+]2C ZINC000257341689 455895506 /nfs/dbraw/zinc/89/55/06/455895506.db2.gz ZLKVLRONZKTTBT-PXNSSMCTSA-N 1 0 330.472 3.158 40 0 EGABRO Cc1nc[nH]c1C[N@@H+]1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257341914 455895806 /nfs/dbraw/zinc/89/58/06/455895806.db2.gz ZMKMELQOESZFHH-PMACEKPBSA-N 1 0 341.455 3.058 40 0 EGABRO CCN(C(C)=O)[C@H]1CCOC2(CC[NH+](CCc3ccccc3)CC2)C1 ZINC000257344158 455896681 /nfs/dbraw/zinc/89/66/81/455896681.db2.gz ZVZVEXSBICTHMR-FQEVSTJZSA-N 1 0 344.499 3.111 40 0 EGABRO CCOc1ccc(/C=C/C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000195529033 455980244 /nfs/dbraw/zinc/98/02/44/455980244.db2.gz FRFZDVQIRQFWMO-FPRCLYBRSA-N 1 0 330.472 3.335 40 0 EGABRO FC(F)(F)CCN1CCC([NH2+][C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000195556444 455985470 /nfs/dbraw/zinc/98/54/70/455985470.db2.gz PHYIJFVUNLUUES-JKSUJKDBSA-N 1 0 344.425 3.373 40 0 EGABRO COCCC(=O)N1CCC([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000188244220 456029051 /nfs/dbraw/zinc/02/90/51/456029051.db2.gz QJYCRVYEHRYOHW-FPOVZHCZSA-N 1 0 344.499 3.114 40 0 EGABRO COC(=O)C[C@H](C)c1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000225606135 456096936 /nfs/dbraw/zinc/09/69/36/456096936.db2.gz FEPJOVHBWXYLGD-AWEZNQCLSA-N 1 0 344.455 3.166 40 0 EGABRO FCc1ccc(F)c(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000390823033 457442502 /nfs/dbraw/zinc/44/25/02/457442502.db2.gz QGLRGXFKAFCTKY-UHFFFAOYSA-N 1 0 344.369 3.103 40 0 EGABRO Cc1cccc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)c1 ZINC000585103210 459824330 /nfs/dbraw/zinc/82/43/30/459824330.db2.gz ADYNPPCJVGHZEE-IBGZPJMESA-N 1 0 347.524 3.498 40 0 EGABRO Fc1ccc(-n2nccc2C[NH2+]CCCO[C@H]2CCCCO2)cc1 ZINC000585141250 459829549 /nfs/dbraw/zinc/82/95/49/459829549.db2.gz SBYNTGKWAOOAPZ-SFHVURJKSA-N 1 0 333.407 3.034 40 0 EGABRO Cc1cccc(CC[NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c1 ZINC000585289051 459833323 /nfs/dbraw/zinc/83/33/23/459833323.db2.gz MUBAKGRPSISHKG-PWRODBHTSA-N 1 0 325.452 3.488 40 0 EGABRO C[NH+](C)CCCOC1CCN(c2ccnc(C(F)(F)F)c2)CC1 ZINC000283970896 524057631 /nfs/dbraw/zinc/05/76/31/524057631.db2.gz ZJPIORNURMUQKS-UHFFFAOYSA-N 1 0 331.382 3.038 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCc2ccccc2O)CC1 ZINC000195558499 534827219 /nfs/dbraw/zinc/82/72/19/534827219.db2.gz LKFCMGORSJYEOS-INIZCTEOSA-N 1 0 334.460 3.314 40 0 EGABRO CCO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000225723220 535650885 /nfs/dbraw/zinc/65/08/85/535650885.db2.gz FVEYMZFJANHSHA-FQEVSTJZSA-N 1 0 346.471 3.305 40 0 EGABRO Cc1cc(Cl)ccc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228939190 564118142 /nfs/dbraw/zinc/11/81/42/564118142.db2.gz ASPDGVUMTZSIGI-UHFFFAOYSA-N 1 0 342.834 3.456 40 0 EGABRO CN(C)c1nc(N2CCCC2)nc2c1C[N@H+](CC1CCCCC1)CC2 ZINC000096253988 282313437 /nfs/dbraw/zinc/31/34/37/282313437.db2.gz LUMLCVIJLUAJCX-UHFFFAOYSA-N 1 0 343.519 3.081 40 0 EGABRO CSCCc1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000102716413 219224300 /nfs/dbraw/zinc/22/43/00/219224300.db2.gz IWVSTSTZHLLAGA-QGZVFWFLSA-N 1 0 331.485 3.070 40 0 EGABRO Fc1ccc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)cc1 ZINC000096047343 282976604 /nfs/dbraw/zinc/97/66/04/282976604.db2.gz DSEVPCRKMKAEBL-UHFFFAOYSA-N 1 0 340.446 3.498 40 0 EGABRO [NH3+]Cc1ccc(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000186476512 235917309 /nfs/dbraw/zinc/91/73/09/235917309.db2.gz JVTSCRZMJUFMNU-OAHLLOKOSA-N 1 0 330.815 3.092 40 0 EGABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccccn1 ZINC000036740320 213115124 /nfs/dbraw/zinc/11/51/24/213115124.db2.gz JPFPRFKHPBGMHB-UHFFFAOYSA-N 1 0 336.439 3.379 40 0 EGABRO Cc1cc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)oc1C ZINC000072339825 216157322 /nfs/dbraw/zinc/15/73/22/216157322.db2.gz HMEPGVARECTGAG-UHFFFAOYSA-N 1 0 336.395 3.012 40 0 EGABRO Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(c3ncccn3)C2)[nH+]1 ZINC000072354278 216162508 /nfs/dbraw/zinc/16/25/08/216162508.db2.gz BYBNTVPGMPDTFN-OAHLLOKOSA-N 1 0 347.426 3.098 40 0 EGABRO c1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3Oc3cccnc3)C2)nc1 ZINC000072383641 216183767 /nfs/dbraw/zinc/18/37/67/216183767.db2.gz SQXFKTJPHNGIJS-MRXNPFEDSA-N 1 0 347.422 3.439 40 0 EGABRO CCn1ccc2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc21 ZINC000072541546 216270224 /nfs/dbraw/zinc/27/02/24/216270224.db2.gz LXMWRWVSILGSKO-SJORKVTESA-N 1 0 326.444 3.362 40 0 EGABRO C[C@@H](C(=O)Nc1ccccc1F)N1CCC([NH+]2CCCCC2)CC1 ZINC000026439368 212519836 /nfs/dbraw/zinc/51/98/36/212519836.db2.gz BAPFJLSSOWXHAW-HNNXBMFYSA-N 1 0 333.451 3.103 40 0 EGABRO Cc1ccc(OCC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1C ZINC000022682398 212316217 /nfs/dbraw/zinc/31/62/17/212316217.db2.gz AZZQVVWQPNKCQX-IBGZPJMESA-N 1 0 344.430 3.240 40 0 EGABRO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000195551342 240998747 /nfs/dbraw/zinc/99/87/47/240998747.db2.gz QOZLONHNMKUSGV-RTBURBONSA-N 1 0 346.471 3.363 40 0 EGABRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cccs2)CC1 ZINC000195579255 241027039 /nfs/dbraw/zinc/02/70/39/241027039.db2.gz RVXDKYMTTOBGTE-UHFFFAOYSA-N 1 0 336.482 3.038 40 0 EGABRO CC(C)[NH2+]CCNc1nc(Cl)nc(Nc2cccc(Cl)c2)n1 ZINC000199800057 241040463 /nfs/dbraw/zinc/04/04/63/241040463.db2.gz MGGSIXGBKDIQGH-UHFFFAOYSA-N 1 0 341.246 3.332 40 0 EGABRO [NH3+][C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218592606 241332334 /nfs/dbraw/zinc/33/23/34/241332334.db2.gz LCTJGKALHGAFFD-ILXRZTDVSA-N 1 0 342.247 3.260 40 0 EGABRO CCCc1nc(Nc2cccc([C@H]3C[NH2+]CCO3)n2)sc1CC ZINC000257203949 244125821 /nfs/dbraw/zinc/12/58/21/244125821.db2.gz ASIBOMSAKRVODW-CQSZACIVSA-N 1 0 332.473 3.458 40 0 EGABRO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000257212547 244158263 /nfs/dbraw/zinc/15/82/63/244158263.db2.gz CDXVHKPROVHFSE-AWEZNQCLSA-N 1 0 327.457 3.182 40 0 EGABRO CC(C)n1nccc1C[N@@H+]1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000257221778 244188459 /nfs/dbraw/zinc/18/84/59/244188459.db2.gz DQLMTTKQWZCDHF-QGZVFWFLSA-N 1 0 327.476 3.305 40 0 EGABRO Cc1ncsc1C[NH+]1CCC(c2nccnc2-c2ncc[nH]2)CC1 ZINC000257226069 244201037 /nfs/dbraw/zinc/20/10/37/244201037.db2.gz FJABULZLWUEZTH-UHFFFAOYSA-N 1 0 340.456 3.011 40 0 EGABRO Cc1cc(N(C)C)cc([C@@H]2CCN(Cc3nccn3C(C)C)C2)[nH+]1 ZINC000257230894 244212590 /nfs/dbraw/zinc/21/25/90/244212590.db2.gz GEKROWIXOSFKPU-MRXNPFEDSA-N 1 0 327.476 3.223 40 0 EGABRO c1nc([C@H]2CCCCO2)ncc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000257246256 244258814 /nfs/dbraw/zinc/25/88/14/244258814.db2.gz ITIBUSDITGZSKF-LJQANCHMSA-N 1 0 344.503 3.169 40 0 EGABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)COc1cccc(F)c1)C2 ZINC000257253070 244272079 /nfs/dbraw/zinc/27/20/79/244272079.db2.gz JXLRGLJBQWTREO-BOLBYERCSA-N 1 0 346.446 3.068 40 0 EGABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCc2ccccc2F)c1 ZINC000257274423 244389494 /nfs/dbraw/zinc/38/94/94/244389494.db2.gz NLALSEGOBPJMTC-UHFFFAOYSA-N 1 0 335.382 3.276 40 0 EGABRO Fc1ccc(CNc2n[nH]c3nc([C@H]4CCC[NH2+]C4)ccc23)cc1 ZINC000257276741 244394177 /nfs/dbraw/zinc/39/41/77/244394177.db2.gz NUXVRSLPJPQWPF-ZDUSSCGKSA-N 1 0 325.391 3.176 40 0 EGABRO C[C@H]1C[NH+](Cc2c3ncccc3[nH]c2C2CCOCC2)C[C@H](C)O1 ZINC000019497520 212032803 /nfs/dbraw/zinc/03/28/03/212032803.db2.gz SCMJOPKVOFDWQV-KBPBESRZSA-N 1 0 329.444 3.066 40 0 EGABRO CCOc1c(OC)cc(C[NH2+]C[C@H](O)c2ccccc2F)cc1OC ZINC000078394130 217046478 /nfs/dbraw/zinc/04/64/78/217046478.db2.gz YRWBVQHRYOTQLP-INIZCTEOSA-N 1 0 349.402 3.065 40 0 EGABRO COc1ccc(OC)c(C[NH2+]CCc2cc(F)cc3c2OCOC3)c1 ZINC000078552793 217074034 /nfs/dbraw/zinc/07/40/34/217074034.db2.gz JOLXRQOMZBFWKX-UHFFFAOYSA-N 1 0 347.386 3.042 40 0 EGABRO C[NH+]1CCN(c2ccccc2CNCc2cc(F)ccc2F)CC1 ZINC000078553870 217074950 /nfs/dbraw/zinc/07/49/50/217074950.db2.gz ITPNCYQHUVOCDS-UHFFFAOYSA-N 1 0 331.410 3.006 40 0 EGABRO COc1ccccc1/C=C/C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000078979823 217163563 /nfs/dbraw/zinc/16/35/63/217163563.db2.gz OIVJKSYPGFFRME-UXBLZVDNSA-N 1 0 334.423 3.138 40 0 EGABRO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000079438489 217224511 /nfs/dbraw/zinc/22/45/11/217224511.db2.gz PMRWGBFRGXOQDE-QWHCGFSZSA-N 1 0 325.478 3.441 40 0 EGABRO COc1ccc([C@@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCC3)cc1 ZINC000015953392 211871607 /nfs/dbraw/zinc/87/16/07/211871607.db2.gz DNNAXCFXMCTBGR-NRFANRHFSA-N 1 0 337.443 3.264 40 0 EGABRO C[S@](=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000080344450 217299426 /nfs/dbraw/zinc/29/94/26/217299426.db2.gz DECUXJSSJGLRTF-LJQANCHMSA-N 1 0 338.270 3.476 40 0 EGABRO O=C(c1cccc(F)c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000264237014 246225352 /nfs/dbraw/zinc/22/53/52/246225352.db2.gz YTISJOGWBJNHGD-UHFFFAOYSA-N 1 0 338.426 3.489 40 0 EGABRO COc1ccc(CC[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000013998900 211669514 /nfs/dbraw/zinc/66/95/14/211669514.db2.gz HOPDPXQASVZHSR-UHFFFAOYSA-N 1 0 336.435 3.486 40 0 EGABRO COc1ccc(OCCCC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000013613895 211592960 /nfs/dbraw/zinc/59/29/60/211592960.db2.gz RZCPOXHKTNHFIU-UHFFFAOYSA-N 1 0 348.487 3.237 40 0 EGABRO Cc1[nH]c2ccc(C)cc2c1CC(=O)N(C)CC[NH+]1CCCCC1 ZINC000012360896 211355723 /nfs/dbraw/zinc/35/57/23/211355723.db2.gz WZJDAFHYGGFWIK-UHFFFAOYSA-N 1 0 327.472 3.272 40 0 EGABRO Nc1cc([C@H]2CCC[NH2+]C2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000012338307 211353300 /nfs/dbraw/zinc/35/33/00/211353300.db2.gz ZIXHSOPIWGOPKH-LBPRGKRZSA-N 1 0 327.819 3.099 40 0 EGABRO CNc1ncccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000012326624 211349648 /nfs/dbraw/zinc/34/96/48/211349648.db2.gz SPLNDOLVPMWLCX-NYTJIUQPSA-N 1 0 341.430 3.277 40 0 EGABRO COc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccc(C)cc2)CC1 ZINC000012292169 211334628 /nfs/dbraw/zinc/33/46/28/211334628.db2.gz HELWVCQFFKFPRP-IBGZPJMESA-N 1 0 341.451 3.021 40 0 EGABRO COc1cc(C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2n1 ZINC000012196046 211317752 /nfs/dbraw/zinc/31/77/52/211317752.db2.gz DJGWKNKRSZXDAJ-UHFFFAOYSA-N 1 0 341.455 3.094 40 0 EGABRO O=C(NCCC[NH+]1Cc2ccccc2C1)C1(c2ccccc2F)CC1 ZINC000012193284 211316096 /nfs/dbraw/zinc/31/60/96/211316096.db2.gz FBRVOMHVNSJAMY-UHFFFAOYSA-N 1 0 338.426 3.379 40 0 EGABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]C3CC3)cc12 ZINC000012186354 211313631 /nfs/dbraw/zinc/31/36/31/211313631.db2.gz XTGDSYZDKMIILJ-UHFFFAOYSA-N 1 0 336.439 3.263 40 0 EGABRO C[C@@H]1Cc2cc([C@H](O)C[NH+]3CCCC3)ccc2N1C(=O)C(C)(C)C ZINC000012181144 211310624 /nfs/dbraw/zinc/31/06/24/211310624.db2.gz WTNACWRXGAWWKC-RDTXWAMCSA-N 1 0 330.472 3.140 40 0 EGABRO CC(C)C[NH+]1CCC(c2cc(N)n3nc(C(C)(C)C)cc3n2)CC1 ZINC000012120850 211300503 /nfs/dbraw/zinc/30/05/03/211300503.db2.gz GMLAQJHCCRDDCL-UHFFFAOYSA-N 1 0 329.492 3.444 40 0 EGABRO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1Br ZINC000011024153 211200990 /nfs/dbraw/zinc/20/09/90/211200990.db2.gz NVTVIELDMOSXEN-CHWSQXEVSA-N 1 0 328.250 3.063 40 0 EGABRO COc1ccc2cc(C[N@H+](C)C[C@@H]3CCN(C(C)=O)C3)ccc2c1 ZINC000092100471 218120114 /nfs/dbraw/zinc/12/01/14/218120114.db2.gz SDTUZYJNCJLRHJ-KRWDZBQOSA-N 1 0 326.440 3.149 40 0 EGABRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C3=COCCC3)cc2)CC1 ZINC000095399299 218332825 /nfs/dbraw/zinc/33/28/25/218332825.db2.gz SNVPVBCYGCBCMX-UHFFFAOYSA-N 1 0 343.471 3.097 40 0 EGABRO NC(=O)c1csc(CNc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000095428581 218370948 /nfs/dbraw/zinc/37/09/48/218370948.db2.gz KOTPCQFVURYZJI-UHFFFAOYSA-N 1 0 343.496 3.488 40 0 EGABRO O=C1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3ccsc3)CC2)N1 ZINC000096061414 284836465 /nfs/dbraw/zinc/83/64/65/284836465.db2.gz QSMWDTYVAVROMP-KRWDZBQOSA-N 1 0 326.465 3.386 40 0 EGABRO CCc1ccc(C[NH+]2CCC3(C[C@@H](NC(=O)C(C)C)CO3)CC2)cc1 ZINC000096220692 218697036 /nfs/dbraw/zinc/69/70/36/218697036.db2.gz QYBFCZYJNMXPEW-LJQANCHMSA-N 1 0 344.499 3.145 40 0 EGABRO c1c(-c2ccccc2)nc2n1C[C@H](C[NH2+]CCc1ccccc1)OC2 ZINC000096296398 218740355 /nfs/dbraw/zinc/74/03/55/218740355.db2.gz WVLPQCVFOWLUNX-IBGZPJMESA-N 1 0 333.435 3.281 40 0 biogenic,in-vitro EGABRO CC[NH+](CC)CCn1nc(Cc2ccccc2)c2ccccc2c1=O ZINC000005469654 210469319 /nfs/dbraw/zinc/46/93/19/210469319.db2.gz XFYGYJVVAFLKBB-UHFFFAOYSA-N 1 0 335.451 3.329 40 0 EGABRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)CC1 ZINC000005247218 210423341 /nfs/dbraw/zinc/42/33/41/210423341.db2.gz IEJWVRSNJJODKH-UHFFFAOYSA-N 1 0 327.403 3.220 40 0 EGABRO O=C(C[NH2+]C1CCCCC1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000004894721 210314808 /nfs/dbraw/zinc/31/48/08/210314808.db2.gz HTMCNYQOMDJQAY-UHFFFAOYSA-N 1 0 343.471 3.174 40 0 EGABRO CCOc1cc(C[NH2+]C2CCCCC2)cc(Cl)c1OCC(N)=O ZINC000008253747 257863488 /nfs/dbraw/zinc/86/34/88/257863488.db2.gz HWHMWDVHQLPZOT-UHFFFAOYSA-N 1 0 340.851 3.025 40 0 EGABRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000040161241 132399243 /nfs/dbraw/zinc/39/92/43/132399243.db2.gz RWIXOFLYDZVQRN-BXWFABGCSA-N 1 0 345.487 3.019 40 0 EGABRO O[C@@H](C[N@@H+]1CCC[C@](O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000072343227 275051535 /nfs/dbraw/zinc/05/15/35/275051535.db2.gz FEYIPQUQFKKAGF-VQTJNVASSA-N 1 0 347.405 3.372 40 0 EGABRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000090723578 323214615 /nfs/dbraw/zinc/21/46/15/323214615.db2.gz DRGLEBUWCZBKTR-LLGFUMIMSA-N 1 0 346.515 3.201 40 0 EGABRO CC(C)OC(C(=O)OCC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001608967 452670433 /nfs/dbraw/zinc/67/04/33/452670433.db2.gz QFCJMIORRNDMRO-UHFFFAOYSA-N 1 0 341.451 3.460 40 0 EGABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]C(C)(C)C)o2)c1 ZINC000006882557 453002741 /nfs/dbraw/zinc/00/27/41/453002741.db2.gz HDPSTCJNVOVQFN-UHFFFAOYSA-N 1 0 345.395 3.408 40 0 EGABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000008337053 453193237 /nfs/dbraw/zinc/19/32/37/453193237.db2.gz UCUXXHDULSHQRV-GOSISDBHSA-N 1 0 329.440 3.443 40 0 EGABRO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000010111323 453274835 /nfs/dbraw/zinc/27/48/35/453274835.db2.gz LSBFIWKJUIJBKJ-LJQANCHMSA-N 1 0 348.487 3.235 40 0 EGABRO O=C(CCCOc1ccc(Cl)cc1)NCCC[NH+]1CCCCC1 ZINC000010279943 453283999 /nfs/dbraw/zinc/28/39/99/453283999.db2.gz SELSLURVARAJCA-UHFFFAOYSA-N 1 0 338.879 3.491 40 0 EGABRO COc1ccc(CCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010434213 453291679 /nfs/dbraw/zinc/29/16/79/453291679.db2.gz JXKAGQVXCWJUAX-UHFFFAOYSA-N 1 0 338.451 3.264 40 0 EGABRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010541002 453295288 /nfs/dbraw/zinc/29/52/88/453295288.db2.gz FCICYQWACQNPPU-HNNXBMFYSA-N 1 0 338.879 3.346 40 0 EGABRO Cc1cnc2[nH]c(C(F)(F)F)c(C[N@@H+]3CCC[C@H](CO)C3)c2c1 ZINC000012223074 453349894 /nfs/dbraw/zinc/34/98/94/453349894.db2.gz NUAPISDAFLGIFR-NSHDSACASA-N 1 0 327.350 3.094 40 0 EGABRO Cc1c(C[NH+](C)C)c(=O)n2c3ccccc3nc2n1Cc1ccccc1 ZINC000013637036 453476644 /nfs/dbraw/zinc/47/66/44/453476644.db2.gz RCYJNHYMPNJLIU-UHFFFAOYSA-N 1 0 346.434 3.068 40 0 EGABRO COc1cccc2ccc(C[N@H+](CCO)Cc3cccs3)nc21 ZINC000013997498 453496390 /nfs/dbraw/zinc/49/63/90/453496390.db2.gz CMZJRHKIHDGMAC-UHFFFAOYSA-N 1 0 328.437 3.299 40 0 EGABRO Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2)[NH+]2CCCC2)o1 ZINC000015860240 453587679 /nfs/dbraw/zinc/58/76/79/453587679.db2.gz UTEODHNBKMUVFZ-SFHVURJKSA-N 1 0 342.439 3.229 40 0 EGABRO COc1cccc(C[N@@H+]2CC[C@H](c3nc(C(C)(C)C)no3)C2)c1OC ZINC000019084641 453653513 /nfs/dbraw/zinc/65/35/13/453653513.db2.gz KULWHAUJSUQAKA-AWEZNQCLSA-N 1 0 345.443 3.374 40 0 EGABRO CC[C@@H](CNC(=O)c1cc(Br)ccc1F)[NH+]1CCCC1 ZINC000032660686 453882377 /nfs/dbraw/zinc/88/23/77/453882377.db2.gz LFOXPQSISXOWQB-LBPRGKRZSA-N 1 0 343.240 3.192 40 0 EGABRO Cc1cc(F)c(Br)cc1NC(=O)NC1CC[NH+](C)CC1 ZINC000190931134 455408375 /nfs/dbraw/zinc/40/83/75/455408375.db2.gz DEYRKZANIQXGLP-UHFFFAOYSA-N 1 0 344.228 3.112 40 0 EGABRO COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000245921152 455399679 /nfs/dbraw/zinc/39/96/79/455399679.db2.gz GZCPEZKKRYGDDM-SQWLQELKSA-N 1 0 349.450 3.021 40 0 EGABRO Cc1cccc2c1cnn2CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000057280367 454117727 /nfs/dbraw/zinc/11/77/27/454117727.db2.gz PBTKSCADEITKLS-UHFFFAOYSA-N 1 0 342.487 3.160 40 0 EGABRO c1ccc(CCC[NH+]2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000058373227 454194682 /nfs/dbraw/zinc/19/46/82/454194682.db2.gz UMNUPCVEOAYZTN-UHFFFAOYSA-N 1 0 336.479 3.372 40 0 EGABRO CN(Cc1cccnc1)[C@@H]1C[N@H+](Cc2ccsc2)[C@@H]2CCCO[C@H]12 ZINC000096038665 454265571 /nfs/dbraw/zinc/26/55/71/454265571.db2.gz CWONMQMJSGMCBN-QRVBRYPASA-N 1 0 343.496 3.007 40 0 EGABRO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](c4ccnc(C)n4)O[C@@H]3C2)oc1C ZINC000096046167 454267996 /nfs/dbraw/zinc/26/79/96/454267996.db2.gz TVQDUODILVUSTM-KFKAGJAMSA-N 1 0 327.428 3.347 40 0 EGABRO Fc1cccnc1N[C@@H]1CO[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096047635 454269561 /nfs/dbraw/zinc/26/95/61/454269561.db2.gz OSNRCXSBVAZSAT-WMLDXEAASA-N 1 0 333.432 3.128 40 0 EGABRO O=C(c1cccs1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096046964 454270571 /nfs/dbraw/zinc/27/05/71/454270571.db2.gz YSHHDNCVYCXYSV-LJQANCHMSA-N 1 0 341.480 3.271 40 0 EGABRO Cc1ccc(N2CCC3(CC2)CC[NH+](Cc2cccnc2)CC3)nn1 ZINC000096047353 454270586 /nfs/dbraw/zinc/27/05/86/454270586.db2.gz DSDFAQOAQQCAPU-UHFFFAOYSA-N 1 0 337.471 3.063 40 0 EGABRO c1cc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)cs1 ZINC000096047339 454270616 /nfs/dbraw/zinc/27/06/16/454270616.db2.gz FFMJLDAHEYQYAM-UHFFFAOYSA-N 1 0 328.485 3.421 40 0 EGABRO Cc1nc(CN2C[C@@]3(CC[N@H+](Cc4ccsc4)C3)CC2=O)cs1 ZINC000096050900 454272560 /nfs/dbraw/zinc/27/25/60/454272560.db2.gz XGQZDSITFLDCJM-KRWDZBQOSA-N 1 0 347.509 3.138 40 0 EGABRO c1csc(C[N@H+]2C[C@@H](OCc3ccccn3)[C@@H]3OCCC[C@@H]32)c1 ZINC000096058146 454276899 /nfs/dbraw/zinc/27/68/99/454276899.db2.gz YYVVEEDLOBYTEM-RCCFBDPRSA-N 1 0 330.453 3.092 40 0 EGABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1ccsc1)[C@@H]2C ZINC000096061988 454277748 /nfs/dbraw/zinc/27/77/48/454277748.db2.gz OZWLNWAPOUWILK-CYBMUJFWSA-N 1 0 332.473 3.002 40 0 EGABRO Cc1cccc(C[NH+]2CCC3(CC2)C(=O)N(C)[C@H]3c2ccccc2)n1 ZINC000096080434 454280055 /nfs/dbraw/zinc/28/00/55/454280055.db2.gz QDAXZSWWLVVHTK-IBGZPJMESA-N 1 0 335.451 3.186 40 0 EGABRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(Br)c1 ZINC000046858930 454293135 /nfs/dbraw/zinc/29/31/35/454293135.db2.gz OUPARDCYGUDRBB-GFCCVEGCSA-N 1 0 325.250 3.053 40 0 EGABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)CC4CC4)C3)CC2)c1 ZINC000096157611 454294729 /nfs/dbraw/zinc/29/47/29/454294729.db2.gz RTAPLKWPNZWOTP-UHFFFAOYSA-N 1 0 342.483 3.310 40 0 EGABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072379229 454294971 /nfs/dbraw/zinc/29/49/71/454294971.db2.gz PTLKIGJTKOBXBL-KRWDZBQOSA-N 1 0 326.444 3.146 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)co1 ZINC000096186791 454299561 /nfs/dbraw/zinc/29/95/61/454299561.db2.gz XBMFUVGVUYIUCW-QYZOEREBSA-N 1 0 328.412 3.013 40 0 EGABRO Fc1ccc(C[N@@H+]2C[C@H](OCC3CCOCC3)[C@H]3OCCC[C@H]32)cc1 ZINC000096187080 454300396 /nfs/dbraw/zinc/30/03/96/454300396.db2.gz CHOHODGIGACFKL-AABGKKOBSA-N 1 0 349.446 3.001 40 0 EGABRO Cc1ncsc1C[N@@H+]1CC[C@]2(C1)C[C@@H](Nc1ccccn1)CCO2 ZINC000096207479 454304311 /nfs/dbraw/zinc/30/43/11/454304311.db2.gz QFUJNZILBSMKKM-MAUKXSAKSA-N 1 0 344.484 3.082 40 0 EGABRO Cc1cc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)oc1C ZINC000096221733 454308581 /nfs/dbraw/zinc/30/85/81/454308581.db2.gz GPZXHVJBMWYCSA-IBGZPJMESA-N 1 0 342.439 3.494 40 0 EGABRO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@H+](Cc1ccsc1)C2 ZINC000096224315 454308601 /nfs/dbraw/zinc/30/86/01/454308601.db2.gz ASEREPJIONKQMT-IBGZPJMESA-N 1 0 341.480 3.158 40 0 EGABRO O=C(Nc1nnc(CC2CCCC2)s1)NC1CC[NH+](C2CC2)CC1 ZINC000096404065 454323152 /nfs/dbraw/zinc/32/31/52/454323152.db2.gz DVIUSYKHGPUWSA-UHFFFAOYSA-N 1 0 349.504 3.019 40 0 EGABRO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000096414281 454331076 /nfs/dbraw/zinc/33/10/76/454331076.db2.gz DXCYJKXBVNVWOV-ZIAGYGMSSA-N 1 0 347.484 3.040 40 0 EGABRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCSC2(CCCCC2)C1 ZINC000096456634 454358565 /nfs/dbraw/zinc/35/85/65/454358565.db2.gz NUFHMODMPVMVIE-JKSUJKDBSA-N 1 0 337.533 3.075 40 0 EGABRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](C)c2ccsc2)c1 ZINC000096478872 454363565 /nfs/dbraw/zinc/36/35/65/454363565.db2.gz PZEDTZWYPKFARX-CHWSQXEVSA-N 1 0 338.498 3.111 40 0 EGABRO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](CCc2ccncc2)C1 ZINC000096483687 454366188 /nfs/dbraw/zinc/36/61/88/454366188.db2.gz AESKDEZQMFYFSU-DLBZAZTESA-N 1 0 336.357 3.451 40 0 EGABRO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCSC1 ZINC000096486743 454367055 /nfs/dbraw/zinc/36/70/55/454367055.db2.gz QTJAYFVBAJEUDB-CJNGLKHVSA-N 1 0 340.439 3.066 40 0 EGABRO C[C@H]([NH2+]CC(=O)NCc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000096490699 454369012 /nfs/dbraw/zinc/36/90/12/454369012.db2.gz YUQRZXPMEZONKB-NSHDSACASA-N 1 0 338.238 3.355 40 0 EGABRO C[C@@H]1C[C@@H](CNC(=O)c2ccc(O)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000097100846 454406458 /nfs/dbraw/zinc/40/64/58/454406458.db2.gz ADKJFEHFRDJDMB-ZBFHGGJFSA-N 1 0 342.414 3.172 40 0 EGABRO O=C(c1ccc(O)cc1)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000097103389 454407120 /nfs/dbraw/zinc/40/71/20/454407120.db2.gz ZQXOOYGZISWXFQ-UHFFFAOYSA-N 1 0 330.472 3.163 40 0 EGABRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1 ZINC000063527591 454421973 /nfs/dbraw/zinc/42/19/73/454421973.db2.gz QYCOQVRCOHYQEE-HNNXBMFYSA-N 1 0 330.325 3.012 40 0 EGABRO COc1cccc([C@H](CNC(=O)C(C)(C)c2ccccc2)[NH+](C)C)c1 ZINC000048354726 454478624 /nfs/dbraw/zinc/47/86/24/454478624.db2.gz WHTPPMDDHFDHMX-IBGZPJMESA-N 1 0 340.467 3.392 40 0 EGABRO O[C@H](C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)c1ccccc1 ZINC000182802938 455167184 /nfs/dbraw/zinc/16/71/84/455167184.db2.gz XGSSOBXZAQRMTC-LSDHHAIUSA-N 1 0 339.361 3.272 40 0 EGABRO Cc1ccc2cc(C[NH2+][C@@H]3CCN(C(=O)C4CCCC4)C3)ccc2n1 ZINC000189384790 455188096 /nfs/dbraw/zinc/18/80/96/455188096.db2.gz JDLMOPXWCCUWLP-LJQANCHMSA-N 1 0 337.467 3.424 40 0 EGABRO CCN(C)c1ccccc1NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000245344119 455282517 /nfs/dbraw/zinc/28/25/17/455282517.db2.gz XQGYULIXHHVNID-BQFCYCMXSA-N 1 0 342.487 3.091 40 0 EGABRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000175336945 455439274 /nfs/dbraw/zinc/43/92/74/455439274.db2.gz DRVSYJOUTSNECA-WBMJQRKESA-N 1 0 340.389 3.442 40 0 EGABRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(N2CCOC2=O)c1 ZINC000248739315 455728142 /nfs/dbraw/zinc/72/81/42/455728142.db2.gz QRCLSPFEMOGUDA-OKDNKWQNSA-N 1 0 342.439 3.251 40 0 EGABRO O=C(NCc1ccccc1)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000252536864 455819935 /nfs/dbraw/zinc/81/99/35/455819935.db2.gz JRPAENJZCCMDPW-UHFFFAOYSA-N 1 0 347.528 3.093 40 0 EGABRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cn[nH]c(=O)c1Cl ZINC000253398325 455839748 /nfs/dbraw/zinc/83/97/48/455839748.db2.gz SHEMBXHJMPEUGX-OAHLLOKOSA-N 1 0 346.862 3.136 40 0 EGABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000257235360 455880139 /nfs/dbraw/zinc/88/01/39/455880139.db2.gz GXMXIGPYLUTSHV-SPYBWZPUSA-N 1 0 341.430 3.457 40 0 EGABRO CC[NH+](CC)CCNC(=O)c1ccc(-c2ccc(C)cc2)nc1C ZINC000257173217 455880841 /nfs/dbraw/zinc/88/08/41/455880841.db2.gz GYJJMTVFMDPYCG-UHFFFAOYSA-N 1 0 325.456 3.437 40 0 EGABRO Cn1cncc1-c1nccnc1[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000257299964 455886280 /nfs/dbraw/zinc/88/62/80/455886280.db2.gz RSIOFDTZXOXSJW-OAHLLOKOSA-N 1 0 325.460 3.389 40 0 EGABRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2sccc2Cl)cc1 ZINC000285883952 455934803 /nfs/dbraw/zinc/93/48/03/455934803.db2.gz CCGMOVPDMZSAFN-AWEZNQCLSA-N 1 0 338.860 3.443 40 0 EGABRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000195529736 455980037 /nfs/dbraw/zinc/98/00/37/455980037.db2.gz QIXKIQCDYRSKHS-NVXWUHKLSA-N 1 0 341.455 3.408 40 0 EGABRO [NH3+][C@H](CC(=O)N(Cc1cccc(Br)c1)C1CC1)C1CC1 ZINC000195559527 455985408 /nfs/dbraw/zinc/98/54/08/455985408.db2.gz QMFQQSIPMHUOKD-OAHLLOKOSA-N 1 0 337.261 3.068 40 0 EGABRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000211262744 456022187 /nfs/dbraw/zinc/02/21/87/456022187.db2.gz BEODXIGPQVXJIN-OTURYTIQSA-N 1 0 329.465 3.248 40 0 EGABRO C[C@H](NC(=O)Nc1ccccc1OCC(F)F)C1=CC[N@H+](C)CC1 ZINC000272664460 456031454 /nfs/dbraw/zinc/03/14/54/456031454.db2.gz IUUYYFGENGDCEC-LBPRGKRZSA-N 1 0 339.386 3.102 40 0 EGABRO OC1(c2csc(CN3CCC3)n2)CC[NH+](CC2CCCCC2)CC1 ZINC000225421605 456081051 /nfs/dbraw/zinc/08/10/51/456081051.db2.gz QHEASQYTRHKGKB-UHFFFAOYSA-N 1 0 349.544 3.213 40 0 biogenic,in-vitro EGABRO COCCC1(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)CCCCC1 ZINC000225478464 456085515 /nfs/dbraw/zinc/08/55/15/456085515.db2.gz SYVKWEDGZQGWQE-OKZBNKHCSA-N 1 0 325.493 3.242 40 0 EGABRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236913272 456201084 /nfs/dbraw/zinc/20/10/84/456201084.db2.gz KTHLLHXFLKYUMD-ZWNOBZJWSA-N 1 0 343.240 3.064 40 0 EGABRO O=C(C[C@H]1Cn2cccc2C[N@@H+](C2CCCC2)C1)NCc1ccco1 ZINC000585099143 459823256 /nfs/dbraw/zinc/82/32/56/459823256.db2.gz POLLNTHJYWFTQE-INIZCTEOSA-N 1 0 341.455 3.162 40 0 EGABRO c1cncc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCC2CC2)c1 ZINC000585103905 459824055 /nfs/dbraw/zinc/82/40/55/459824055.db2.gz DPAZPOBSFLLKIB-LJQANCHMSA-N 1 0 330.472 3.269 40 0 EGABRO CC[C@H](C)[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 ZINC000585109808 459825253 /nfs/dbraw/zinc/82/52/53/459825253.db2.gz WMLQUPNRUUOMOA-DILOTOHQSA-N 1 0 335.451 3.380 40 0 EGABRO O=c1cc(-c2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)cc[nH]1 ZINC000585141763 459830110 /nfs/dbraw/zinc/83/01/10/459830110.db2.gz XRBKHBRKHAQMBX-INIZCTEOSA-N 1 0 336.395 3.217 40 0 EGABRO CC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2C)[C@H]1Cc1ccccc1 ZINC000585274837 459832540 /nfs/dbraw/zinc/83/25/40/459832540.db2.gz PCTJDWHYKFTYNC-SFTDATJTSA-N 1 0 337.467 3.102 40 0 EGABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000585288479 459833479 /nfs/dbraw/zinc/83/34/79/459833479.db2.gz BMDBJSVPYSBGIA-XUVXKRRUSA-N 1 0 329.415 3.319 40 0 EGABRO Cc1cccc(OCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000224094287 547246363 /nfs/dbraw/zinc/24/63/63/547246363.db2.gz LBKASYVDXUZDEJ-UHFFFAOYSA-N 1 0 338.451 3.400 40 0 EGABRO Fc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1Cl ZINC000228922245 575000023 /nfs/dbraw/zinc/00/00/23/575000023.db2.gz RPEMANASTSOVOE-UHFFFAOYSA-N 1 0 346.797 3.287 40 0 EGABRO [NH3+][C@H](CC1CCCCC1)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000261548988 1296592899 /nfs/dbraw/zinc/59/28/99/1296592899.db2.gz KCAMYHCPOHIDDV-GOSISDBHSA-N 1 0 326.444 3.168 40 0 EGABRO C[NH+](C)CCN(Cc1cnn(-c2ccccc2)c1)Cc1cccs1 ZINC000023247870 282097705 /nfs/dbraw/zinc/09/77/05/282097705.db2.gz RMKXSVYKRFWAGL-UHFFFAOYSA-N 1 0 340.496 3.498 40 0 EGABRO COC(=O)c1cccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000058087674 214477348 /nfs/dbraw/zinc/47/73/48/214477348.db2.gz YUOWCUPKAUKEJY-HNNXBMFYSA-N 1 0 347.459 3.249 40 0 EGABRO COc1ccccc1N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000003363307 210019123 /nfs/dbraw/zinc/01/91/23/210019123.db2.gz LQGLHKCHSBLXDL-UHFFFAOYSA-N 1 0 344.430 3.425 40 0 EGABRO COc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C)C2)c(C(C)(C)C)c1 ZINC000103532127 219311930 /nfs/dbraw/zinc/31/19/30/219311930.db2.gz SGTHNUUVQVXDIQ-JKSUJKDBSA-N 1 0 335.488 3.464 40 0 EGABRO CC1CC[NH+](CCNC(=O)c2cc(Br)ccc2F)CC1 ZINC000040108058 213267520 /nfs/dbraw/zinc/26/75/20/213267520.db2.gz DXJQTIFOJUVHMA-UHFFFAOYSA-N 1 0 343.240 3.050 40 0 EGABRO CCc1ccc(OCc2ccc(C(=O)NCC[NH+](CC)CC)o2)cc1 ZINC000032502473 212805784 /nfs/dbraw/zinc/80/57/84/212805784.db2.gz DHAQBPSRBFOMEX-UHFFFAOYSA-N 1 0 344.455 3.493 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC000072203352 216069097 /nfs/dbraw/zinc/06/90/97/216069097.db2.gz IAULGULSVNYHHL-ZDUSSCGKSA-N 1 0 325.840 3.224 40 0 EGABRO c1cn(-c2nccnc2C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000072350539 216162497 /nfs/dbraw/zinc/16/24/97/216162497.db2.gz MDXYSEOWEFPBQK-UHFFFAOYSA-N 1 0 333.439 3.084 40 0 EGABRO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1cccc(-n2ccnc2C)n1 ZINC000072355635 216164178 /nfs/dbraw/zinc/16/41/78/216164178.db2.gz VCBBTXIYMKUZHF-GOSISDBHSA-N 1 0 348.454 3.350 40 0 EGABRO c1ccc(C[NH+]2CCC(c3ccnc(Nc4cncnc4)n3)CC2)cc1 ZINC000072354958 216164337 /nfs/dbraw/zinc/16/43/37/216164337.db2.gz OHTLWQBNKSNWAQ-UHFFFAOYSA-N 1 0 346.438 3.390 40 0 EGABRO Cc1cc(C(=O)N2CCCCCCC2)nc(C2CC[NH+](C)CC2)n1 ZINC000072369348 216176367 /nfs/dbraw/zinc/17/63/67/216176367.db2.gz DXNPLUYRLCPTLI-UHFFFAOYSA-N 1 0 330.476 3.001 40 0 EGABRO FC(F)(F)c1cccc(OCCc2cc([C@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000072372066 216177149 /nfs/dbraw/zinc/17/71/49/216177149.db2.gz QPOXUWAYFUSXCN-NSHDSACASA-N 1 0 325.334 3.127 40 0 EGABRO c1cn(-c2cncc([C@@H]3CCC[N@H+]3CCCc3ccccc3)n2)cn1 ZINC000072378675 216182078 /nfs/dbraw/zinc/18/20/78/216182078.db2.gz GKWHWPSHQQWGHL-IBGZPJMESA-N 1 0 333.439 3.432 40 0 EGABRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2sccc2Cl)c1 ZINC000193113023 240027616 /nfs/dbraw/zinc/02/76/16/240027616.db2.gz VIZBKONCPNNFGI-CQSZACIVSA-N 1 0 327.833 3.242 40 0 EGABRO CCC(CC)C(=O)N(c1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257225211 244199391 /nfs/dbraw/zinc/19/93/91/244199391.db2.gz FFHQKNAUJYDVNC-GOSISDBHSA-N 1 0 330.472 3.367 40 0 EGABRO Cc1c[nH]c(-c2nccnc2CC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000257226669 244202420 /nfs/dbraw/zinc/20/24/20/244202420.db2.gz FLPXRKSASAPBPW-UHFFFAOYSA-N 1 0 348.454 3.025 40 0 EGABRO Cc1ccsc1C(=O)N1CC[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257230428 244210232 /nfs/dbraw/zinc/21/02/32/244210232.db2.gz GCGRFKGHBQZANS-CQSZACIVSA-N 1 0 329.469 3.456 40 0 EGABRO COCC(=O)N1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@@H+]2C ZINC000257242339 244246889 /nfs/dbraw/zinc/24/68/89/244246889.db2.gz IBZMVZUJKXSYSA-BJLQDIEVSA-N 1 0 330.472 3.240 40 0 EGABRO c1ncc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4ccccn4)c3)C2)[nH]1 ZINC000257265439 244361078 /nfs/dbraw/zinc/36/10/78/244361078.db2.gz LYQWMSIWFKVYPQ-INIZCTEOSA-N 1 0 334.427 3.323 40 0 EGABRO Cn1cncc1C[NH+]1CCC(c2ccnc(Nc3ccccn3)c2)CC1 ZINC000257278153 244398123 /nfs/dbraw/zinc/39/81/23/244398123.db2.gz OBAOIKQDKJIYAN-UHFFFAOYSA-N 1 0 348.454 3.333 40 0 EGABRO O=C(Nc1cccc(Cn2cccn2)c1)C1C[NH+](C2CCCCC2)C1 ZINC000019747543 212061170 /nfs/dbraw/zinc/06/11/70/212061170.db2.gz FGHOSVNECOSSEV-UHFFFAOYSA-N 1 0 338.455 3.134 40 0 EGABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@H]1CCCO1 ZINC000019589070 212048838 /nfs/dbraw/zinc/04/88/38/212048838.db2.gz CDAGOIRBQFZPQK-NMLBUPMWSA-N 1 0 342.483 3.034 40 0 EGABRO COc1cc(C[N@H+](C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000019586390 212048338 /nfs/dbraw/zinc/04/83/38/212048338.db2.gz RJFILVSJAVXPAW-VQTJNVASSA-N 1 0 345.414 3.457 40 0 EGABRO Cc1cc(C)c2cc(C[NH2+]C3CCCCC3)c3nn(C)c(=O)n3c2c1 ZINC000019569336 212044530 /nfs/dbraw/zinc/04/45/30/212044530.db2.gz PCPRXKMRTJBBMZ-UHFFFAOYSA-N 1 0 338.455 3.225 40 0 EGABRO CCC[C@H](C(=O)NC(C)(C)C[NH+]1CCCCC1)n1nc(C)cc1C ZINC000019501809 212033754 /nfs/dbraw/zinc/03/37/54/212033754.db2.gz DGOYDIQXHPHVOL-QGZVFWFLSA-N 1 0 334.508 3.222 40 0 EGABRO O=c1[nH]c(C2CC[NH+](Cc3cccc(F)c3)CC2)cc2ncccc21 ZINC000019293810 212012625 /nfs/dbraw/zinc/01/26/25/212012625.db2.gz ZOXNDNVOQUHWPC-UHFFFAOYSA-N 1 0 337.398 3.442 40 0 EGABRO Cc1nn(CCO)c(C)c1C[NH2+][C@H](C)Cc1ccc2ccccc2c1 ZINC000078394225 217046423 /nfs/dbraw/zinc/04/64/23/217046423.db2.gz RBLBXYQPFPJOEJ-OAHLLOKOSA-N 1 0 337.467 3.366 40 0 EGABRO C[C@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019078928 211998793 /nfs/dbraw/zinc/99/87/93/211998793.db2.gz MFWWDSZBHBAYTR-WMZOPIPTSA-N 1 0 348.462 3.460 40 0 EGABRO C[NH+](C)CC1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)CC1 ZINC000078394477 217047048 /nfs/dbraw/zinc/04/70/48/217047048.db2.gz CBYZAQATBCPJBT-UHFFFAOYSA-N 1 0 339.439 3.288 40 0 EGABRO FC(F)(F)c1cccc(NC(=S)NCCC[NH+]2CCCC2)c1 ZINC000018168494 211984928 /nfs/dbraw/zinc/98/49/28/211984928.db2.gz MYKJMZVVAVILEG-UHFFFAOYSA-N 1 0 331.407 3.478 40 0 EGABRO CS[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000090726307 217950691 /nfs/dbraw/zinc/95/06/91/217950691.db2.gz PXGYYMYVQUAYTR-LBPRGKRZSA-N 1 0 326.893 3.286 40 0 EGABRO C[NH+](C)CCNc1ncc(-c2ccsc2)c(-c2cccnc2)n1 ZINC000012222345 211324042 /nfs/dbraw/zinc/32/40/42/211324042.db2.gz APGUOULLGASJHU-UHFFFAOYSA-N 1 0 325.441 3.241 40 0 EGABRO O[C@@]1(c2ccccc2)CC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000012147703 211308041 /nfs/dbraw/zinc/30/80/41/211308041.db2.gz GHVUBRAKWHMGKO-NRFANRHFSA-N 1 0 333.435 3.025 40 0 EGABRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(Oc2cnccn2)cc1 ZINC000091892943 218084524 /nfs/dbraw/zinc/08/45/24/218084524.db2.gz QYAZVMFVTWCHDZ-MSOLQXFVSA-N 1 0 338.455 3.328 40 0 EGABRO COc1ccc2cc(C[N@H+](C)C[C@H]3CCN(C(C)=O)C3)ccc2c1 ZINC000092100470 218120204 /nfs/dbraw/zinc/12/02/04/218120204.db2.gz SDTUZYJNCJLRHJ-QGZVFWFLSA-N 1 0 326.440 3.149 40 0 EGABRO CC1CCC([N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C[C@@H]2CCCO2)CC1 ZINC000093666320 218239742 /nfs/dbraw/zinc/23/97/42/218239742.db2.gz JPNXGZINKGWZIM-VJFUWPCTSA-N 1 0 347.503 3.276 40 0 EGABRO COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CCSC2)CCOCC1 ZINC000096476692 218852945 /nfs/dbraw/zinc/85/29/45/218852945.db2.gz RWJDRNAUPGUNMN-AWEZNQCLSA-N 1 0 341.904 3.492 40 0 EGABRO CC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCC(C)CC1 ZINC000004860142 210304886 /nfs/dbraw/zinc/30/48/86/210304886.db2.gz HBYHFBYHUYHEJY-GOSISDBHSA-N 1 0 327.476 3.345 40 0 EGABRO Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)C[NH+](C)C)n2)cc1 ZINC000072358170 292111330 /nfs/dbraw/zinc/11/13/30/292111330.db2.gz XVTAPOMJDYDSND-FQEVSTJZSA-N 1 0 337.467 3.206 40 0 EGABRO C[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1N(C)C ZINC000096477966 287013741 /nfs/dbraw/zinc/01/37/41/287013741.db2.gz LKZOPQAXVQNFDE-HZPDHXFCSA-N 1 0 349.494 3.043 40 0 EGABRO [NH2+]=C1NC[C@H]2c3ccccc3Cc3cc(Br)ccc3N12 ZINC000044699381 274943018 /nfs/dbraw/zinc/94/30/18/274943018.db2.gz HQFMNGNBQOQKRX-HNNXBMFYSA-N 1 0 328.213 3.229 40 0 in-vitro EGABRO O=c1cc(-c2ccccn2)nc([C@@H]2CCC[N@@H+]2C[C@H]2CC=CCC2)[nH]1 ZINC000019402499 275043316 /nfs/dbraw/zinc/04/33/16/275043316.db2.gz NIUJZZGJGGKOQR-YJBOKZPZSA-N 1 0 336.439 3.325 40 0 EGABRO OCCO[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000096241577 275047485 /nfs/dbraw/zinc/04/74/85/275047485.db2.gz GCFQXAQKSWAVBI-FQEVSTJZSA-N 1 0 338.451 3.069 40 0 EGABRO COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CCSC2)CCOCC1 ZINC000096476691 295144540 /nfs/dbraw/zinc/14/45/40/295144540.db2.gz RWJDRNAUPGUNMN-CQSZACIVSA-N 1 0 341.904 3.492 40 0 EGABRO Cc1cc(CCC(=O)Nc2ccon2)cc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000072366888 301269379 /nfs/dbraw/zinc/26/93/79/301269379.db2.gz CMQBTSAAJJCQQU-KRWDZBQOSA-N 1 0 342.443 3.495 40 0 EGABRO CC(C)CC[C@@H]1CCCN1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333401556 308858856 /nfs/dbraw/zinc/85/88/56/308858856.db2.gz YUKISHPWQXKSCL-WBVHZDCISA-N 1 0 330.476 3.330 40 0 EGABRO C[C@@H]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H](c2ccco2)C1 ZINC000097099181 323214824 /nfs/dbraw/zinc/21/48/24/323214824.db2.gz YMWJSNXPNPLHKF-HUUCEWRRSA-N 1 0 345.447 3.043 40 0 EGABRO C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccc2c(c1)OCO2 ZINC000097236306 323215065 /nfs/dbraw/zinc/21/50/65/323215065.db2.gz ZMSKDVHJWRXHMO-LBPRGKRZSA-N 1 0 344.377 3.483 40 0 EGABRO COc1ccc([C@H](C)[NH2+]C2CCN(c3nccs3)CC2)c(OC)c1 ZINC000097237312 323215507 /nfs/dbraw/zinc/21/55/07/323215507.db2.gz MNFUECLMDHNMQU-ZDUSSCGKSA-N 1 0 347.484 3.480 40 0 EGABRO CC(C)NC(=O)Nc1ccc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)cc1 ZINC000097376345 323215615 /nfs/dbraw/zinc/21/56/15/323215615.db2.gz DESRGSWZAVBVEZ-KRWDZBQOSA-N 1 0 344.459 3.029 40 0 EGABRO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000180847528 455255294 /nfs/dbraw/zinc/25/52/94/455255294.db2.gz ZVKMZVYRPYPLMF-UGSOOPFHSA-N 1 0 348.878 3.096 40 0 EGABRO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]CCCOC[C@@H]1CCOC1 ZINC000158247934 455283592 /nfs/dbraw/zinc/28/35/92/455283592.db2.gz KRSBJZVPLLWXLK-WMZOPIPTSA-N 1 0 331.456 3.466 40 0 EGABRO CCC(=O)O[C@@H](C[NH3+])[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000003845398 452785052 /nfs/dbraw/zinc/78/50/52/452785052.db2.gz FLMGZJLLDPIYRL-MJGOQNOKSA-N 1 0 325.408 3.324 40 0 EGABRO COc1cccc(C[NH2+]C(C)(C)CO)c1OCc1ccccc1F ZINC000006883184 453004526 /nfs/dbraw/zinc/00/45/26/453004526.db2.gz IBPNKHOFFWXPPB-UHFFFAOYSA-N 1 0 333.403 3.274 40 0 EGABRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COCC1=CC[C@@H]2C[C@H]1C2(C)C ZINC000007063411 453027757 /nfs/dbraw/zinc/02/77/57/453027757.db2.gz JGQVYNOGQITPDG-VAMGGRTRSA-N 1 0 329.484 3.488 40 0 EGABRO COc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1cccc(Cl)c1 ZINC000008497990 453209691 /nfs/dbraw/zinc/20/96/91/453209691.db2.gz YEUPXFMOPNNXDG-ZDUSSCGKSA-N 1 0 335.831 3.398 40 0 EGABRO C[NH+]1CCN(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)CC1 ZINC000009338622 453251508 /nfs/dbraw/zinc/25/15/08/453251508.db2.gz DAVMWDJYIMVCCP-UHFFFAOYSA-N 1 0 348.450 3.101 40 0 EGABRO O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000012807908 453409017 /nfs/dbraw/zinc/40/90/17/453409017.db2.gz YRQGLKPADYIERU-GOSISDBHSA-N 1 0 338.382 3.259 40 0 EGABRO O=c1cc(-c2ccccn2)nc(C2CC[NH+](Cc3ccncc3)CC2)[nH]1 ZINC000013267962 453456449 /nfs/dbraw/zinc/45/64/49/453456449.db2.gz OEVYGVWVENNOOI-UHFFFAOYSA-N 1 0 347.422 3.019 40 0 EGABRO O=C1NC[C@H]([C@H]2CCC[N@H+](Cc3ccccc3)C2)Oc2ccccc21 ZINC000019371938 453656772 /nfs/dbraw/zinc/65/67/72/453656772.db2.gz GGNONQJFXASSTJ-FXAWDEMLSA-N 1 0 336.435 3.090 40 0 EGABRO CC[NH2+][C@@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000019703938 453658745 /nfs/dbraw/zinc/65/87/45/453658745.db2.gz YXKHCIXKYPVWFP-SFHVURJKSA-N 1 0 343.471 3.172 40 0 EGABRO CC[N@H+](C)[C@H]1CN(C(=O)Cc2ccc(OC)cc2)C2(C1)CCCCC2 ZINC000019704923 453658959 /nfs/dbraw/zinc/65/89/59/453658959.db2.gz XBTDVPSMJXZQFD-GOSISDBHSA-N 1 0 344.499 3.493 40 0 EGABRO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000026439398 453799985 /nfs/dbraw/zinc/79/99/85/453799985.db2.gz IUTNTJBEHPQFPJ-QGZVFWFLSA-N 1 0 335.536 3.116 40 0 EGABRO O=C(Cc1ccc(F)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032461986 453874113 /nfs/dbraw/zinc/87/41/13/453874113.db2.gz MDAXHZOAKMOHIN-UHFFFAOYSA-N 1 0 326.415 3.280 40 0 EGABRO Cc1cccc([C@H]2CCCC[N@@H+]2CC(=O)NC2CCOCC2)c1C ZINC000075999870 453948035 /nfs/dbraw/zinc/94/80/35/453948035.db2.gz UKRJXVTXFQYQLS-LJQANCHMSA-N 1 0 330.472 3.126 40 0 EGABRO COc1cccc([C@@H](CO)[NH2+]Cc2cnc(-c3ccccn3)s2)c1 ZINC000084664919 454004102 /nfs/dbraw/zinc/00/41/02/454004102.db2.gz KZKOCPAAVCKLMW-QGZVFWFLSA-N 1 0 341.436 3.037 40 0 EGABRO CCOc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000044080796 454088171 /nfs/dbraw/zinc/08/81/71/454088171.db2.gz UGNAMKKJFLQNHS-HNNXBMFYSA-N 1 0 335.517 3.494 40 0 EGABRO CC1CCC([N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 ZINC000058017041 454160591 /nfs/dbraw/zinc/16/05/91/454160591.db2.gz QXPFMRDNXAMFBZ-HWOWSKLDSA-N 1 0 343.471 3.261 40 0 EGABRO O=C(/C=C/c1ccsc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928852 454186515 /nfs/dbraw/zinc/18/65/15/454186515.db2.gz YLWCWWMIBWIXET-OWOJBTEDSA-N 1 0 327.453 3.189 40 0 EGABRO CC1(C)[C@H]2C[C@@H]1C(COC[C@H](O)C[N@@H+]1CCc3ccccc3C1)=CC2 ZINC000058407787 454200629 /nfs/dbraw/zinc/20/06/29/454200629.db2.gz DCHBVYQEDRWVSH-NJDAHSKKSA-N 1 0 341.495 3.415 40 0 EGABRO CCOc1cc(-c2nnc([C@H]([NH3+])Cc3ccccc3)[nH]2)ccc1OC ZINC000095534934 454230437 /nfs/dbraw/zinc/23/04/37/454230437.db2.gz RTSQATQZVLWKPK-OAHLLOKOSA-N 1 0 338.411 3.122 40 0 EGABRO C[C@H]1CCCCN1C(=O)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000071953268 454261741 /nfs/dbraw/zinc/26/17/41/454261741.db2.gz RZFWELMXYDSSNH-INIZCTEOSA-N 1 0 332.463 3.481 40 0 EGABRO c1cc(C[N@H+]2C[C@@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)cs1 ZINC000096042536 454268356 /nfs/dbraw/zinc/26/83/56/454268356.db2.gz GSELNYPECBOYFO-KURKYZTESA-N 1 0 330.453 3.092 40 0 EGABRO c1cc(C[N@@H+]2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)cs1 ZINC000096045978 454268416 /nfs/dbraw/zinc/26/84/16/454268416.db2.gz BUIHCOLPTRDFPW-SOUVJXGZSA-N 1 0 331.441 3.361 40 0 EGABRO O=C(c1cccs1)N1CCC[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096047005 454270265 /nfs/dbraw/zinc/27/02/65/454270265.db2.gz JQJWHWAMQRBVPZ-GOSISDBHSA-N 1 0 330.453 3.469 40 0 EGABRO O=C(c1ccco1)N1CCC2(CC1)CC[NH+](Cc1ccccn1)CC2 ZINC000096047206 454270378 /nfs/dbraw/zinc/27/03/78/454270378.db2.gz OMBBLZXPVSOSSS-UHFFFAOYSA-N 1 0 339.439 3.193 40 0 EGABRO Cc1ccc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cccs2)C3)nn1 ZINC000096048434 454271730 /nfs/dbraw/zinc/27/17/30/454271730.db2.gz AWXCJRFHAIIYDH-CRAIPNDOSA-N 1 0 344.484 3.082 40 0 EGABRO Cn1ccc(C(=O)N[C@@H]2CCC23CC[NH+](Cc2ccsc2)CC3)c1 ZINC000096051690 454272352 /nfs/dbraw/zinc/27/23/52/454272352.db2.gz ZGSQRHMBBDNECY-QGZVFWFLSA-N 1 0 343.496 3.261 40 0 EGABRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096056368 454274867 /nfs/dbraw/zinc/27/48/67/454274867.db2.gz IKZBQGBUDYQSMQ-KURKYZTESA-N 1 0 332.469 3.205 40 0 EGABRO CC[NH+](CC)C[C@H]1Cn2ccnc2CN(Cc2ccc(C)s2)C1 ZINC000096059198 454275825 /nfs/dbraw/zinc/27/58/25/454275825.db2.gz WTFJWYBXACYBKS-MRXNPFEDSA-N 1 0 332.517 3.227 40 0 EGABRO Cc1ccc(C[N@H+]2Cc3cn(C)nc3[C@H](COCC3CC3)C2)s1 ZINC000096059856 454276595 /nfs/dbraw/zinc/27/65/95/454276595.db2.gz IDCAAGVPAIDZPY-INIZCTEOSA-N 1 0 331.485 3.316 40 0 EGABRO Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccc(C)n2)c(C)o1 ZINC000096064036 454279009 /nfs/dbraw/zinc/27/90/09/454279009.db2.gz HAKIUALDHHFNTK-RBUKOAKNSA-N 1 0 339.439 3.089 40 0 EGABRO c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC1)CC21CCN(c2cccnc2)CC1 ZINC000096079016 454280590 /nfs/dbraw/zinc/28/05/90/454280590.db2.gz GXVCHHMBYMRFIC-UTKZUKDTSA-N 1 0 349.478 3.443 40 0 EGABRO COc1ccc2c(c1)C1(CCN(Cc3ccco3)CC1)[N@@H+](C)CC2 ZINC000096100208 454282748 /nfs/dbraw/zinc/28/27/48/454282748.db2.gz MLDZVFJPUIKYQP-UHFFFAOYSA-N 1 0 326.440 3.267 40 0 EGABRO c1coc(C[NH+]2CCC3(CO[C@@H](COCc4cccnc4)C3)CC2)c1 ZINC000096106135 454283893 /nfs/dbraw/zinc/28/38/93/454283893.db2.gz VBAISRNXVALNHB-LJQANCHMSA-N 1 0 342.439 3.263 40 0 EGABRO Cn1cccc1C(=O)N1CCC2(CC([N@H+](C)Cc3ccco3)C2)CC1 ZINC000096159256 454295269 /nfs/dbraw/zinc/29/52/69/454295269.db2.gz AIKHPMZZRVXPML-UHFFFAOYSA-N 1 0 341.455 3.135 40 0 EGABRO c1csc(C[N@H+]2CC[C@@H]3O[C@H](COCc4ccncc4)CC[C@@H]32)c1 ZINC000096186151 454299977 /nfs/dbraw/zinc/29/99/77/454299977.db2.gz PJCISBWYHOHDJT-WDSOQIARSA-N 1 0 344.480 3.482 40 0 EGABRO CCOC[C@@H]1CCC2(CCN(Cc3ccccc3OC)CC2)[N@@H+]1C ZINC000096206779 454303731 /nfs/dbraw/zinc/30/37/31/454303731.db2.gz WYSSDXQQGHGDPF-SFHVURJKSA-N 1 0 332.488 3.161 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@H](Oc4ccccn4)CO3)CC2)o1 ZINC000096205989 454304152 /nfs/dbraw/zinc/30/41/52/454304152.db2.gz VSQPZOBSIWQUAG-KRWDZBQOSA-N 1 0 328.412 3.186 40 0 EGABRO Cc1cccc(C[N@@H+]2CCCC[C@]23CCN(Cc2cccnc2)C3)n1 ZINC000096203149 454304222 /nfs/dbraw/zinc/30/42/22/454304222.db2.gz LQJQOSKRJGBEON-OAQYLSRUSA-N 1 0 336.483 3.416 40 0 EGABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(F)cc1)C2 ZINC000096220679 454307093 /nfs/dbraw/zinc/30/70/93/454307093.db2.gz NRYBZBZOROOALJ-QUCCMNQESA-N 1 0 332.463 3.006 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4ncccn4)CO3)C2)s1 ZINC000096222576 454309213 /nfs/dbraw/zinc/30/92/13/454309213.db2.gz HECZIZUNNFBAFD-YJBOKZPZSA-N 1 0 345.468 3.049 40 0 EGABRO FC1(F)CC[N@H+](Cc2cccnc2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096239574 454310564 /nfs/dbraw/zinc/31/05/64/454310564.db2.gz PXUSBBMMXNOSFU-GOSISDBHSA-N 1 0 344.409 3.214 40 0 EGABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4cccc(Cl)c4)C[C@@H]32)C(=O)N1C ZINC000096261587 454315043 /nfs/dbraw/zinc/31/50/43/454315043.db2.gz KAKKINHLJHZXHJ-SIXWZSSISA-N 1 0 345.874 3.201 40 0 EGABRO O=C([C@H]1C[C@H]1c1cccnc1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000096416800 454332508 /nfs/dbraw/zinc/33/25/08/454332508.db2.gz AUURWOZHATUEAA-PMACEKPBSA-N 1 0 335.451 3.314 40 0 EGABRO Brc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000096417284 454333424 /nfs/dbraw/zinc/33/34/24/454333424.db2.gz GPARXRGDNHFHQX-UHFFFAOYSA-N 1 0 347.260 3.316 40 0 EGABRO C[C@@H](CC(=O)NC1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000096427036 454340298 /nfs/dbraw/zinc/34/02/98/454340298.db2.gz KIYVAVKUYIZYRB-LBPRGKRZSA-N 1 0 328.378 3.409 40 0 EGABRO C[NH+](C)[C@@H](CNc1nccc2c1C(=O)OC2(C)C)c1ccsc1 ZINC000079002354 454352104 /nfs/dbraw/zinc/35/21/04/454352104.db2.gz GXAFWOMABBLUIE-ZDUSSCGKSA-N 1 0 331.441 3.263 40 0 EGABRO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000096460362 454359544 /nfs/dbraw/zinc/35/95/44/454359544.db2.gz RETYTDZIQDJBET-QGZVFWFLSA-N 1 0 344.480 3.205 40 0 EGABRO Fc1cc2cccnc2c(C[NH2+]CCc2nc(-c3ccco3)n[nH]2)c1 ZINC000096473081 454361873 /nfs/dbraw/zinc/36/18/73/454361873.db2.gz FAKOTHZNPNVIDG-UHFFFAOYSA-N 1 0 337.358 3.084 40 0 EGABRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cccc(-n2ccnc2)c1 ZINC000096478789 454363726 /nfs/dbraw/zinc/36/37/26/454363726.db2.gz YYWNTCGKVWMCKR-UKRRQHHQSA-N 1 0 338.377 3.160 40 0 EGABRO CCO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(C)C ZINC000096493354 454370075 /nfs/dbraw/zinc/37/00/75/454370075.db2.gz LBASTJWENLIVCA-ROUUACIJSA-N 1 0 348.462 3.224 40 0 EGABRO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)CC1CC1 ZINC000048355075 454478220 /nfs/dbraw/zinc/47/82/20/454478220.db2.gz LAAPAEZVIPXFLV-UHFFFAOYSA-N 1 0 337.423 3.219 40 0 EGABRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(C)n1 ZINC000122126442 454509796 /nfs/dbraw/zinc/50/97/96/454509796.db2.gz FFPVIBCNUKNKOD-YSVLISHTSA-N 1 0 348.491 3.437 40 0 EGABRO c1cnn(-c2ccccc2C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000092661245 454603881 /nfs/dbraw/zinc/60/38/81/454603881.db2.gz LLGGLTLWFACTSM-IBGZPJMESA-N 1 0 341.455 3.032 40 0 EGABRO Cc1cccc(CN2CC3(CC2=O)CC[NH+](Cc2ccncc2)CC3)c1 ZINC000108531372 454801611 /nfs/dbraw/zinc/80/16/11/454801611.db2.gz XAWSTRNTZOLVBW-UHFFFAOYSA-N 1 0 349.478 3.405 40 0 EGABRO COc1ccc(F)c(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000156171068 455089612 /nfs/dbraw/zinc/08/96/12/455089612.db2.gz HVESPUSIZAIUHL-CQSZACIVSA-N 1 0 335.423 3.174 40 0 EGABRO C[NH+](C)Cc1ccc(CNc2nnc(C(F)(F)F)s2)cc1F ZINC000156522701 455127965 /nfs/dbraw/zinc/12/79/65/455127965.db2.gz CKHDZZMEHOELGA-UHFFFAOYSA-N 1 0 334.342 3.370 40 0 EGABRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1cnc2ncccn12 ZINC000245316735 455281808 /nfs/dbraw/zinc/28/18/08/455281808.db2.gz KLRXURUBQSOWPT-FXAWDEMLSA-N 1 0 349.482 3.072 40 0 EGABRO CCOC[C@H](O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000245338781 455282414 /nfs/dbraw/zinc/28/24/14/455282414.db2.gz ONIHBFNKQYVQDW-WBVHZDCISA-N 1 0 349.862 3.264 40 0 EGABRO C[C@@H]1C[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000251498491 455790643 /nfs/dbraw/zinc/79/06/43/455790643.db2.gz DXQZRQAIMCHDDH-IZZQQSIFSA-N 1 0 344.499 3.361 40 0 EGABRO COc1cc2c(c(OC)c1OC)CCN(Cc1csc(C)n1)CC2 ZINC000253416134 455841126 /nfs/dbraw/zinc/84/11/26/455841126.db2.gz WJYOVCOEFMGISQ-UHFFFAOYSA-N 1 0 348.468 3.078 40 0 EGABRO C[N@H+](CC(=O)Nc1nccs1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000253426783 455845555 /nfs/dbraw/zinc/84/55/55/455845555.db2.gz AYKHGFVGHFGOJI-HUUCEWRRSA-N 1 0 349.431 3.073 40 0 EGABRO CC(C)Oc1ccc(CC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000253433638 455849423 /nfs/dbraw/zinc/84/94/23/455849423.db2.gz ZOYOYSOZCQQOIP-LJQANCHMSA-N 1 0 344.499 3.207 40 0 EGABRO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)on1 ZINC000253600203 455854392 /nfs/dbraw/zinc/85/43/92/455854392.db2.gz JKJYHRFGBXHNPF-UONOGXRCSA-N 1 0 346.456 3.374 40 0 EGABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257212580 455879997 /nfs/dbraw/zinc/87/99/97/455879997.db2.gz CEARBWSZRHKRRK-MRXNPFEDSA-N 1 0 345.443 3.133 40 0 EGABRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(CNC(C)=O)n2)c1 ZINC000257287518 455882241 /nfs/dbraw/zinc/88/22/41/455882241.db2.gz PQHVQYDZWRTSBF-HXUWFJFHSA-N 1 0 339.439 3.063 40 0 EGABRO COCC[NH+]1CCC(C)(c2ncc(Cc3ccc(F)cc3)o2)CC1 ZINC000257290097 455884151 /nfs/dbraw/zinc/88/41/51/455884151.db2.gz QBOVKGBRSFODEZ-UHFFFAOYSA-N 1 0 332.419 3.404 40 0 EGABRO Cc1cc2c[nH+]cn2c([C@@H]2CCCCN2C(=O)Cc2cccs2)n1 ZINC000257288839 455884353 /nfs/dbraw/zinc/88/43/53/455884353.db2.gz PVYKVSIJHODCEY-INIZCTEOSA-N 1 0 340.452 3.396 40 0 EGABRO Fc1ccc(C[NH+]2CCC3(CO[C@H](Cc4cnccn4)C3)CC2)cc1 ZINC000257327421 455893115 /nfs/dbraw/zinc/89/31/15/455893115.db2.gz XBGKCMBFQAWWBO-LJQANCHMSA-N 1 0 341.430 3.230 40 0 EGABRO Cc1cncc(C2CCN(C(=O)CCC[NH+]3CCCCCC3)CC2)n1 ZINC000257336139 455894744 /nfs/dbraw/zinc/89/47/44/455894744.db2.gz YNJDGCUGWHPIHQ-UHFFFAOYSA-N 1 0 344.503 3.147 40 0 EGABRO COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)cc1C ZINC000195549361 455983814 /nfs/dbraw/zinc/98/38/14/455983814.db2.gz RHMDAVBACKNSHU-OCCSQVGLSA-N 1 0 347.415 3.082 40 0 EGABRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(O)c(Cl)c2)[C@@H](C)C1 ZINC000195561489 455984803 /nfs/dbraw/zinc/98/48/03/455984803.db2.gz JPTJRAAMKSHGKH-XJKSGUPXSA-N 1 0 338.879 3.167 40 0 EGABRO C[C@@H]1CCC[N@H+](CCCNC(=O)COc2ccc3c(c2)CCCC3)C1 ZINC000223396854 456056294 /nfs/dbraw/zinc/05/62/94/456056294.db2.gz WILBCOJTUNZZED-QGZVFWFLSA-N 1 0 344.499 3.182 40 0 EGABRO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000224989178 456071030 /nfs/dbraw/zinc/07/10/30/456071030.db2.gz STDVYPQURVZOOW-UHFFFAOYSA-N 1 0 338.879 3.490 40 0 EGABRO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1cccc(Cl)c1 ZINC000225567987 456093415 /nfs/dbraw/zinc/09/34/15/456093415.db2.gz IGJRJSFVADTGMA-INIZCTEOSA-N 1 0 338.904 3.287 40 0 EGABRO COC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225599394 456097333 /nfs/dbraw/zinc/09/73/33/456097333.db2.gz XVPHFGGLTUPOKN-UHFFFAOYSA-N 1 0 334.460 3.305 40 0 EGABRO CO[C@@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[C@@H](C)C1 ZINC000225634768 456100363 /nfs/dbraw/zinc/10/03/63/456100363.db2.gz OVNZGYXIATZWIR-BEFAXECRSA-N 1 0 334.460 3.161 40 0 EGABRO COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000230458149 456138804 /nfs/dbraw/zinc/13/88/04/456138804.db2.gz DONGDOLUPYITIL-ZTNFWEORSA-N 1 0 338.451 3.490 40 0 EGABRO c1cc2n(n1)[C@@H](C[NH+]1CCCC1)CN(Cc1ccc3ccccc3n1)C2 ZINC000306142151 456566774 /nfs/dbraw/zinc/56/67/74/456566774.db2.gz WRNGLFDMVPIOGF-FQEVSTJZSA-N 1 0 347.466 3.084 40 0 EGABRO COCCn1ccnc1[C@H]1C[N@H+](Cc2ccccn2)Cc2ccccc21 ZINC000306144568 456569309 /nfs/dbraw/zinc/56/93/09/456569309.db2.gz ZIYOMRAFFJBAEC-FQEVSTJZSA-N 1 0 348.450 3.072 40 0 EGABRO COCC[C@H]1Cn2cccc2C[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000585095411 459822272 /nfs/dbraw/zinc/82/22/72/459822272.db2.gz QBANWQCQYHBTAV-MRXNPFEDSA-N 1 0 344.455 3.174 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCF)CC2)cc1 ZINC000585100808 459822991 /nfs/dbraw/zinc/82/29/91/459822991.db2.gz XHFGVTIGMBYCKZ-IBGZPJMESA-N 1 0 334.435 3.012 40 0 EGABRO c1ccc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)cc1 ZINC000585104630 459824327 /nfs/dbraw/zinc/82/43/27/459824327.db2.gz JPBONPAXVXGMAB-SFHVURJKSA-N 1 0 326.465 3.358 40 0 EGABRO CC(C)[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 ZINC000585109692 459825436 /nfs/dbraw/zinc/82/54/36/459825436.db2.gz IWZICNKFXXJCHM-IRFCIJBXSA-N 1 0 342.483 3.098 40 0 EGABRO Cc1ccc(C)c(OC[C@@]2(O)C[N@@H+](C3CCCCC3)CC[C@@H]2O)c1C ZINC000585287867 459833486 /nfs/dbraw/zinc/83/34/86/459833486.db2.gz UELNNDAPWHECDX-FPOVZHCZSA-N 1 0 347.499 3.121 40 0 EGABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000585288848 459833644 /nfs/dbraw/zinc/83/36/44/459833644.db2.gz AXPPGKZXYZIVIE-IPMKNSEASA-N 1 0 346.858 3.228 40 0 EGABRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(Cc3ccccc3)CCC1)C2 ZINC000615610933 460357747 /nfs/dbraw/zinc/35/77/47/460357747.db2.gz DGBJDVLDQFWDDM-FQEVSTJZSA-N 1 0 326.484 3.344 40 0 EGABRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccco1 ZINC000014651390 471876127 /nfs/dbraw/zinc/87/61/27/471876127.db2.gz AEVBXWXXBCHDFE-UHFFFAOYSA-N 1 0 326.400 3.223 40 0 EGABRO CC(C)n1nccc1C[N@@H+]1CCC[C@H](c2ccnc(N(C)C)c2)C1 ZINC000257221777 535146757 /nfs/dbraw/zinc/14/67/57/535146757.db2.gz DQLMTTKQWZCDHF-KRWDZBQOSA-N 1 0 327.476 3.305 40 0 EGABRO c1nn(C2CC[NH2+]CC2)c2ncnc(Nc3cccc4c3CCCC4)c12 ZINC000228940378 564118185 /nfs/dbraw/zinc/11/81/85/564118185.db2.gz UMIWVTCJXBWLHP-UHFFFAOYSA-N 1 0 348.454 3.373 40 0 EGABRO CCc1ccc(C[N@@H+]2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)o1 ZINC000097953890 219064807 /nfs/dbraw/zinc/06/48/07/219064807.db2.gz RXDINKOKOHENOX-RRQGHBQHSA-N 1 0 343.427 3.455 40 0 EGABRO CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCN(c3ncccc3F)C1)CCC2 ZINC000168175285 529747619 /nfs/dbraw/zinc/74/76/19/529747619.db2.gz ZSFCETMPHHSSMS-OCCSQVGLSA-N 1 0 346.475 3.486 40 0 EGABRO O[C@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000040373179 213293223 /nfs/dbraw/zinc/29/32/23/213293223.db2.gz OLQZNKGKOVMKOR-FQEVSTJZSA-N 1 0 325.452 3.292 40 0 EGABRO COc1cccc(COC[C@@H](O)C[N@@H+]2CCc3sccc3[C@H]2C)c1 ZINC000040007552 213249736 /nfs/dbraw/zinc/24/97/36/213249736.db2.gz YYZCKVOFEQSCLK-ZBFHGGJFSA-N 1 0 347.480 3.254 40 0 EGABRO Cc1ccccc1O[C@@H](C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000036067602 213059244 /nfs/dbraw/zinc/05/92/44/213059244.db2.gz UCOFJZFXETWPBD-JZXOWHBKSA-N 1 0 332.488 3.247 40 0 EGABRO COC[C@@H]([NH2+]Cc1ccc(Br)s1)C1CCOCC1 ZINC000187849037 236316117 /nfs/dbraw/zinc/31/61/17/236316117.db2.gz IBXDFAWKAZJSQY-GFCCVEGCSA-N 1 0 334.279 3.042 40 0 EGABRO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072360360 216167633 /nfs/dbraw/zinc/16/76/33/216167633.db2.gz WSDNBXYQZPNLIX-QGZVFWFLSA-N 1 0 339.443 3.240 40 0 EGABRO CC(C)(C)C[N@@H+]1CCC[C@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000072361894 216168322 /nfs/dbraw/zinc/16/83/22/216168322.db2.gz YKEJVWOGJKNQLL-AWEZNQCLSA-N 1 0 326.448 3.236 40 0 EGABRO O[C@@H]1C[C@H](C2CCCCC2)[N@H+](Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000072634623 216285526 /nfs/dbraw/zinc/28/55/26/216285526.db2.gz QVUWMUQYNWYQRJ-IAGOWNOFSA-N 1 0 345.418 3.391 40 0 EGABRO C[C@H](C[NH+]1CCC(N2CCCNC2=O)CC1)c1cccc(Cl)c1 ZINC000195573017 241020572 /nfs/dbraw/zinc/02/05/72/241020572.db2.gz HIMSCEBQEVPWSN-CQSZACIVSA-N 1 0 335.879 3.323 40 0 EGABRO Fc1ccc(-n2nccc2C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000242302148 243014155 /nfs/dbraw/zinc/01/41/55/243014155.db2.gz YPWXKCNYUVCXJZ-QAPCUYQASA-N 1 0 347.459 3.156 40 0 EGABRO CC[C@H](NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000253369690 243879315 /nfs/dbraw/zinc/87/93/15/243879315.db2.gz GTZOLZPVVSAUGA-XIRDDKMYSA-N 1 0 346.471 3.051 40 0 EGABRO COc1ccc(CC[NH2+]Cc2cnn(C3CCCC3)c2)cc1OC ZINC000256051301 244065533 /nfs/dbraw/zinc/06/55/33/244065533.db2.gz IPERODVPQZIIPB-UHFFFAOYSA-N 1 0 329.444 3.348 40 0 EGABRO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)nc1 ZINC000257206135 244134027 /nfs/dbraw/zinc/13/40/27/244134027.db2.gz BCAFZROKBGMOOM-MRXNPFEDSA-N 1 0 337.427 3.456 40 0 EGABRO c1nc([C@@H]2CCCCO2)ncc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000257246255 244257701 /nfs/dbraw/zinc/25/77/01/244257701.db2.gz ITIBUSDITGZSKF-IBGZPJMESA-N 1 0 344.503 3.169 40 0 EGABRO Cc1[nH+]cc2cnc([C@@H]3CCCN3C(=O)Cc3cccs3)cn21 ZINC000257242088 244246473 /nfs/dbraw/zinc/24/64/73/244246473.db2.gz IBBCSWHRDMOOBI-INIZCTEOSA-N 1 0 326.425 3.005 40 0 EGABRO Cc1ccc(C(=O)N2CCC[C@H]2c2ccnc(C[NH+](C)C)c2)s1 ZINC000257277424 244396427 /nfs/dbraw/zinc/39/64/27/244396427.db2.gz 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COc1ccc(COCc2cccc(NC(=O)[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000070807985 454177486 /nfs/dbraw/zinc/17/74/86/454177486.db2.gz WBUXPAGPQUTPPY-IBGZPJMESA-N 1 0 340.423 3.103 40 0 EGABRO CSc1ccccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928496 454186510 /nfs/dbraw/zinc/18/65/10/454186510.db2.gz QZPMCOJJTOJCTC-UHFFFAOYSA-N 1 0 341.480 3.450 40 0 EGABRO Cc1ccc(NC(=O)CC[NH2+][C@@H](CC(C)C)c2ccccn2)nc1 ZINC000095422396 454208066 /nfs/dbraw/zinc/20/80/66/454208066.db2.gz QNNIEOZOFRCDLM-KRWDZBQOSA-N 1 0 326.444 3.491 40 0 EGABRO Cc1cc(F)ccc1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000095461555 454216043 /nfs/dbraw/zinc/21/60/43/454216043.db2.gz ICWUDHLPUJVPNO-UHFFFAOYSA-N 1 0 342.414 3.343 40 0 EGABRO O=C(C[NH+]1CCC(OCc2ccccc2)CC1)NC1CCCCC1 ZINC000071873504 454238037 /nfs/dbraw/zinc/23/80/37/454238037.db2.gz ZWHRDCPPDOWMTA-UHFFFAOYSA-N 1 0 330.472 3.117 40 0 EGABRO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@H+](Cc1ccco1)C2 ZINC000096050610 454273181 /nfs/dbraw/zinc/27/31/81/454273181.db2.gz UEFDSVFJEHKYKE-LJQANCHMSA-N 1 0 328.387 3.043 40 0 EGABRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](Cc1cccnc1)CC2 ZINC000096061444 454276381 /nfs/dbraw/zinc/27/63/81/454276381.db2.gz XZWCRPDZKUNCCW-LJQANCHMSA-N 1 0 335.451 3.062 40 0 EGABRO c1c2c(nn1CC1CCOCC1)[C@@H](C[NH2+]CC1CCCCC1)OCC2 ZINC000096068177 454277912 /nfs/dbraw/zinc/27/79/12/454277912.db2.gz PBPNWMYQNGNNAF-LJQANCHMSA-N 1 0 347.503 3.093 40 0 EGABRO Cc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC000096216135 454305446 /nfs/dbraw/zinc/30/54/46/454305446.db2.gz OKOXZNXKKKMTLC-NRFANRHFSA-N 1 0 336.483 3.273 40 0 EGABRO COC[C@@H]1CCC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)[N@@H+]1C ZINC000096209278 454305842 /nfs/dbraw/zinc/30/58/42/454305842.db2.gz MHWJRGPVYZGZRB-HNNXBMFYSA-N 1 0 336.501 3.080 40 0 EGABRO Cc1cc(C)cc(C[NH+]2CCC3(C[C@H](NC(=O)C(C)C)CO3)CC2)c1 ZINC000096220628 454307735 /nfs/dbraw/zinc/30/77/35/454307735.db2.gz YGHRWAINLPAUNE-IBGZPJMESA-N 1 0 344.499 3.199 40 0 EGABRO O=C1CCC2(CCC([NH2+][C@@H]3CCOC3)CC2)N1Cc1cccc(F)c1 ZINC000096228622 454308572 /nfs/dbraw/zinc/30/85/72/454308572.db2.gz WDVDXMRSABHFJL-QPIRBTGLSA-N 1 0 346.446 3.008 40 0 EGABRO COCCC[N@@H+]1CCCC12CCN(C(=O)c1cccc(C)c1)CC2 ZINC000096227933 454308904 /nfs/dbraw/zinc/30/89/04/454308904.db2.gz FKQVRQZPDYEOGF-UHFFFAOYSA-N 1 0 330.472 3.102 40 0 EGABRO O=C1CCC2(CCC([NH2+]C3CCOCC3)CC2)N1Cc1ccccc1 ZINC000096228614 454309454 /nfs/dbraw/zinc/30/94/54/454309454.db2.gz XXERPTXORIYVDJ-UHFFFAOYSA-N 1 0 342.483 3.259 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccccn2)C[C@]12CCN(c1cccnc1)C2 ZINC000096239565 454310741 /nfs/dbraw/zinc/31/07/41/454310741.db2.gz PHXAJJIIGUWXIB-SFHVURJKSA-N 1 0 344.409 3.214 40 0 EGABRO OCCO[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000096241576 454311843 /nfs/dbraw/zinc/31/18/43/454311843.db2.gz GCFQXAQKSWAVBI-HXUWFJFHSA-N 1 0 338.451 3.069 40 0 EGABRO CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000096261144 454313976 /nfs/dbraw/zinc/31/39/76/454313976.db2.gz VKIXKHMIWHDSSU-HXUWFJFHSA-N 1 0 349.478 3.452 40 0 EGABRO COc1ccccc1C[C@H](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000096404704 454323141 /nfs/dbraw/zinc/32/31/41/454323141.db2.gz ZYSXOUIMWQUFTK-INIZCTEOSA-N 1 0 332.488 3.253 40 0 EGABRO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000096424517 454338536 /nfs/dbraw/zinc/33/85/36/454338536.db2.gz STGOPCOAFXHJKT-QGZVFWFLSA-N 1 0 326.444 3.419 40 0 EGABRO Cc1nc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)oc1C ZINC000096436188 454347328 /nfs/dbraw/zinc/34/73/28/454347328.db2.gz GXPFXKFPHZLTRE-UHFFFAOYSA-N 1 0 327.384 3.029 40 0 EGABRO COc1ccc(CNC(=O)C2CC[NH+]([C@@H]3C=CCCC3)CC2)cc1 ZINC000096445752 454353085 /nfs/dbraw/zinc/35/30/85/454353085.db2.gz DMXNCGJPHSMYBD-GOSISDBHSA-N 1 0 328.456 3.132 40 0 EGABRO C[C@H](Sc1ccccn1)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000096461103 454359131 /nfs/dbraw/zinc/35/91/31/454359131.db2.gz YINHQZOOPVGNOS-HOTGVXAUSA-N 1 0 333.501 3.039 40 0 EGABRO COc1cc(CC[NH2+]Cc2cc(F)cc3cccnc32)ccc1O ZINC000096473086 454362008 /nfs/dbraw/zinc/36/20/08/454362008.db2.gz RSNKILAYZRURHL-UHFFFAOYSA-N 1 0 326.371 3.420 40 0 EGABRO CCc1cc(C)c(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC000096492484 454370050 /nfs/dbraw/zinc/37/00/50/454370050.db2.gz OKKCVOAVBSTNOD-UHFFFAOYSA-N 1 0 342.439 3.359 40 0 EGABRO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCCO2 ZINC000048341516 454475205 /nfs/dbraw/zinc/47/52/05/454475205.db2.gz WTDTXAIQQNWHRV-LJQANCHMSA-N 1 0 340.423 3.044 40 0 EGABRO C[C@H](C(=O)N(C)Cc1nc(C(F)(F)F)cs1)[NH+]1CCCCCC1 ZINC000074456450 454586709 /nfs/dbraw/zinc/58/67/09/454586709.db2.gz GKYLKEHUIYNYDM-LLVKDONJSA-N 1 0 349.422 3.385 40 0 EGABRO Cc1cc(C)c(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)o1 ZINC000176477065 454750574 /nfs/dbraw/zinc/75/05/74/454750574.db2.gz BJHLXFCPOSZYMY-SFHVURJKSA-N 1 0 326.440 3.191 40 0 EGABRO COc1ccc(CN2CC3(CCC2=O)CC[NH+](CC2CC2)CC3)cc1 ZINC000108524711 454801874 /nfs/dbraw/zinc/80/18/74/454801874.db2.gz LLGHXXCNUPBWGR-UHFFFAOYSA-N 1 0 342.483 3.310 40 0 EGABRO O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](Cc1cncc(Cl)c1)CC2 ZINC000108533826 454802379 /nfs/dbraw/zinc/80/23/79/454802379.db2.gz FCJDSZJIQCNZRO-IBGZPJMESA-N 1 0 347.890 3.350 40 0 EGABRO CCOc1ccc(CN2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000169689994 454930605 /nfs/dbraw/zinc/93/06/05/454930605.db2.gz VAEVETGCFLHVTR-XUVXKRRUSA-N 1 0 326.484 3.415 40 0 EGABRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c(OC)c1 ZINC000127012754 454932821 /nfs/dbraw/zinc/93/28/21/454932821.db2.gz VTINTJNGDWCKSW-HOCLYGCPSA-N 1 0 346.471 3.146 40 0 EGABRO CC(C)(C)c1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)nn1 ZINC000156250005 455097131 /nfs/dbraw/zinc/09/71/31/455097131.db2.gz FQBDRUTVKDZRKJ-HNNXBMFYSA-N 1 0 345.491 3.114 40 0 EGABRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2C)C1 ZINC000191082715 455439103 /nfs/dbraw/zinc/43/91/03/455439103.db2.gz SUOJZCWQIQNWLK-AWEZNQCLSA-N 1 0 328.378 3.314 40 0 EGABRO O=c1cc([C@@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)nc(-c2ccncc2)[nH]1 ZINC000247813178 455648033 /nfs/dbraw/zinc/64/80/33/455648033.db2.gz CAYHPOHBXLBIEM-NVXWUHKLSA-N 1 0 336.439 3.390 40 0 EGABRO COC[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(Cl)cc1 ZINC000193967069 455788249 /nfs/dbraw/zinc/78/82/49/455788249.db2.gz YBYLWJVTANIRBG-KRWDZBQOSA-N 1 0 342.830 3.398 40 0 EGABRO Cc1cnccc1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000252508749 455817399 /nfs/dbraw/zinc/81/73/99/455817399.db2.gz XSKJUUMFJHBMBK-QGZVFWFLSA-N 1 0 346.862 3.146 40 0 EGABRO CC(=O)Nc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000252586766 455822385 /nfs/dbraw/zinc/82/23/85/455822385.db2.gz SJBMPBACTOFJLE-FOIQADDNSA-N 1 0 338.455 3.363 40 0 EGABRO COc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(CNC(C)=O)n2)c1 ZINC000257287517 455882996 /nfs/dbraw/zinc/88/29/96/455882996.db2.gz PQHVQYDZWRTSBF-FQEVSTJZSA-N 1 0 339.439 3.063 40 0 EGABRO Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@@H+]3C)s1 ZINC000257288685 455884116 /nfs/dbraw/zinc/88/41/16/455884116.db2.gz PVDZPXDIKKNZAM-AFIMGQEJSA-N 1 0 333.501 3.237 40 0 EGABRO Cc1cccnc1Nc1cc([C@H]2CCCN2Cc2cc[nH]n2)nc(C)n1 ZINC000257292454 455884384 /nfs/dbraw/zinc/88/43/84/455884384.db2.gz QLNHQLSPASXKMZ-QGZVFWFLSA-N 1 0 349.442 3.292 40 0 EGABRO Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@H+]2C ZINC000257302288 455886809 /nfs/dbraw/zinc/88/68/09/455886809.db2.gz SCIRPYRZYPAFAI-WOJBJXKFSA-N 1 0 339.483 3.412 40 0 EGABRO CO[C@H]1CCCOC12CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000257306675 455887569 /nfs/dbraw/zinc/88/75/69/455887569.db2.gz SVHUQMGGPSTOEF-SFHVURJKSA-N 1 0 341.455 3.237 40 0 EGABRO Cc1ccnc([C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257321224 455891103 /nfs/dbraw/zinc/89/11/03/455891103.db2.gz WAQUDGGUQYHLCM-SFHVURJKSA-N 1 0 331.423 3.232 40 0 EGABRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195201082 455931936 /nfs/dbraw/zinc/93/19/36/455931936.db2.gz YHYRPFNDRBNAGN-UGSOOPFHSA-N 1 0 336.480 3.026 40 0 EGABRO Cc1c(NC(=O)C[NH2+]C[C@H]2CCCO2)cccc1OC1CCCC1 ZINC000195543425 455982327 /nfs/dbraw/zinc/98/23/27/455982327.db2.gz AAFIETLFRNSLGX-MRXNPFEDSA-N 1 0 332.444 3.024 40 0 EGABRO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000195540600 455982691 /nfs/dbraw/zinc/98/26/91/455982691.db2.gz QGGVCJSGNWAMFM-FZKQIMNGSA-N 1 0 345.464 3.437 40 0 EGABRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000195542476 455982951 /nfs/dbraw/zinc/98/29/51/455982951.db2.gz KLEVRZSIYHMWCN-IEBWSBKVSA-N 1 0 340.492 3.197 40 0 EGABRO C[C@H](Cc1ccc2ccccc2c1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000195570385 455987759 /nfs/dbraw/zinc/98/77/59/455987759.db2.gz ZZVWOFOETLJIQU-AEFFLSMTSA-N 1 0 339.483 3.364 40 0 EGABRO COc1cccc(C[N@@H+]2CC[C@H]3COC(=O)N3c3ccccc3C2)c1 ZINC000225483256 456087219 /nfs/dbraw/zinc/08/72/19/456087219.db2.gz JUEXGGGKHSNRPT-KRWDZBQOSA-N 1 0 338.407 3.426 40 0 biogenic,in-vitro EGABRO c1csc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)n1 ZINC000306137919 456567706 /nfs/dbraw/zinc/56/77/06/456567706.db2.gz RKCBXZLMELHCHT-HZPDHXFCSA-N 1 0 336.464 3.311 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)nn1 ZINC000283058209 456701026 /nfs/dbraw/zinc/70/10/26/456701026.db2.gz JIKBBHOWKRPQPF-CYBMUJFWSA-N 1 0 344.484 3.200 40 0 EGABRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2Cc3ccccc32)CC1 ZINC000390833718 457446259 /nfs/dbraw/zinc/44/62/59/457446259.db2.gz LXFCMCKFLDTOQA-SFHVURJKSA-N 1 0 335.451 3.471 40 0 EGABRO COCC[C@@H]1Cn2cccc2C[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000585095410 459821900 /nfs/dbraw/zinc/82/19/00/459821900.db2.gz QBANWQCQYHBTAV-INIZCTEOSA-N 1 0 344.455 3.174 40 0 EGABRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099667 459823006 /nfs/dbraw/zinc/82/30/06/459823006.db2.gz WATWQQIJTNYWIC-DNVCBOLYSA-N 1 0 341.480 3.329 40 0 EGABRO COc1cccc(C[NH+]2CC3(C2)C[C@@H](Oc2cccnc2)CS3)c1 ZINC000585105445 459825320 /nfs/dbraw/zinc/82/53/20/459825320.db2.gz WRIGEFOVOPWMRG-GOSISDBHSA-N 1 0 342.464 3.229 40 0 EGABRO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@H](Cc2ccccc2)C1 ZINC000585269385 459831909 /nfs/dbraw/zinc/83/19/09/459831909.db2.gz RIIHXAXXMCKORI-CTNGQTDRSA-N 1 0 340.442 3.395 40 0 EGABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCC3(O)CCCCC3)[C@H]2O)c1 ZINC000585288965 459833458 /nfs/dbraw/zinc/83/34/58/459833458.db2.gz LYGNWPORQLGSNA-XUVXKRRUSA-N 1 0 347.499 3.331 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H](O)c2ccsc2)CC1 ZINC000195558522 534827776 /nfs/dbraw/zinc/82/77/76/534827776.db2.gz NWLYDLXVKBFJLS-GJZGRUSLSA-N 1 0 340.489 3.161 40 0 EGABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(OC)CCCC2)cc1 ZINC000225625768 535554644 /nfs/dbraw/zinc/55/46/44/535554644.db2.gz CCCQXFPFFKSYAI-UHFFFAOYSA-N 1 0 334.460 3.305 40 0 EGABRO CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@H]2[NH3+])cc1 ZINC000218613684 547240686 /nfs/dbraw/zinc/24/06/86/547240686.db2.gz DZGNFKWOJLTSQU-IXDOHACOSA-N 1 0 335.856 3.169 40 0 EGABRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cc2noc3ccccc23)C1 ZINC000053304039 214176012 /nfs/dbraw/zinc/17/60/12/214176012.db2.gz WJVMMRNYHLBHFF-GASCZTMLSA-N 1 0 343.471 3.243 40 0 EGABRO COc1ccc([C@H]([NH2+]CC(=O)N(C)Cc2ccco2)C(C)C)cc1 ZINC000049581076 214020051 /nfs/dbraw/zinc/02/00/51/214020051.db2.gz ZXDROBDKOWRHBA-LJQANCHMSA-N 1 0 330.428 3.234 40 0 EGABRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccncc1Cl ZINC000174428933 529955210 /nfs/dbraw/zinc/95/52/10/529955210.db2.gz SMGAXQXGVGIIJL-INIZCTEOSA-N 1 0 343.858 3.329 40 0 EGABRO CN(c1ccccc1CNc1cccc(CO)c1)C1CC[NH+](C)CC1 ZINC000191946373 530037189 /nfs/dbraw/zinc/03/71/89/530037189.db2.gz OPUDNXPODVQGGY-UHFFFAOYSA-N 1 0 339.483 3.321 40 0 EGABRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cccs3)cc2)C[C@H](C)O1 ZINC000040087473 213260336 /nfs/dbraw/zinc/26/03/36/213260336.db2.gz SLTRMEYALJIQTC-GASCZTMLSA-N 1 0 344.480 3.287 40 0 EGABRO COCc1cccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000040089282 213261591 /nfs/dbraw/zinc/26/15/91/213261591.db2.gz ACIIRWOSEKFXCO-IBGZPJMESA-N 1 0 332.488 3.319 40 0 EGABRO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000186846596 236040110 /nfs/dbraw/zinc/04/01/10/236040110.db2.gz DINGDUQZKFONBR-GOSISDBHSA-N 1 0 341.455 3.495 40 0 EGABRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)CC[C@H]2N1C1CC1 ZINC000189737292 237203845 /nfs/dbraw/zinc/20/38/45/237203845.db2.gz VQBIFUIXXIUVEY-CXAGYDPISA-N 1 0 336.838 3.454 40 0 EGABRO Cc1cc(Nc2ncccn2)cc([C@H]2CCCN(c3ncccn3)C2)[nH+]1 ZINC000072354279 216162411 /nfs/dbraw/zinc/16/24/11/216162411.db2.gz BYBNTVPGMPDTFN-HNNXBMFYSA-N 1 0 347.426 3.098 40 0 EGABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cc1 ZINC000072355443 216163492 /nfs/dbraw/zinc/16/34/92/216163492.db2.gz DYLDDWCYTGEHCU-INIZCTEOSA-N 1 0 337.402 3.181 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cncc(-n3ccnc3)n2)cc1 ZINC000072378687 216180801 /nfs/dbraw/zinc/18/08/01/216180801.db2.gz VCPOLHCHMUVOAO-GOSISDBHSA-N 1 0 335.411 3.008 40 0 EGABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072379230 216181096 /nfs/dbraw/zinc/18/10/96/216181096.db2.gz PTLKIGJTKOBXBL-QGZVFWFLSA-N 1 0 326.444 3.146 40 0 EGABRO C[NH+](C)Cc1ccc(C(N)=O)cc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129541392 223067793 /nfs/dbraw/zinc/06/77/93/223067793.db2.gz QUIFLAZPYQRXLI-KGLIPLIRSA-N 1 0 343.393 3.380 40 0 EGABRO Cc1ccc(OCC(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000023014591 212342430 /nfs/dbraw/zinc/34/24/30/212342430.db2.gz BKDQEDGXJIFVRY-UHFFFAOYSA-N 1 0 330.472 3.145 40 0 EGABRO CN(C)c1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000022610936 212310995 /nfs/dbraw/zinc/31/09/95/212310995.db2.gz LWCPIZXRTYOVQT-UHFFFAOYSA-N 1 0 337.467 3.101 40 0 EGABRO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(O)c1 ZINC000194864665 240744791 /nfs/dbraw/zinc/74/47/91/240744791.db2.gz OWTVOOQHQAHJGL-LIRRHRJNSA-N 1 0 340.423 3.361 40 0 EGABRO COc1cccc([C@@H](NC(=O)[C@@H]2CC[NH2+]C2)c2ccccc2Cl)c1 ZINC000225473612 241882489 /nfs/dbraw/zinc/88/24/89/241882489.db2.gz XDTQTMDOXWYXEO-RDTXWAMCSA-N 1 0 344.842 3.164 40 0 EGABRO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000225804761 242044648 /nfs/dbraw/zinc/04/46/48/242044648.db2.gz CZUHJYVSZLKYSQ-GOSISDBHSA-N 1 0 341.455 3.307 40 0 EGABRO C[NH+](C)[C@@H](CNC(=O)c1ccc(OC(F)F)cc1)c1cccs1 ZINC000021670128 212238441 /nfs/dbraw/zinc/23/84/41/212238441.db2.gz DMNZTJCPCXXJQR-ZDUSSCGKSA-N 1 0 340.395 3.382 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1cccc(OC)c1 ZINC000020491802 212139406 /nfs/dbraw/zinc/13/94/06/212139406.db2.gz TYASKSAOCALWHG-SJORKVTESA-N 1 0 348.487 3.233 40 0 EGABRO O[C@H]1CCCOC12CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000257208126 244141080 /nfs/dbraw/zinc/14/10/80/244141080.db2.gz BKWQYBBLEYCXOG-HNNXBMFYSA-N 1 0 329.362 3.211 40 0 EGABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCCc2ccccc2F)c1 ZINC000257223822 244193889 /nfs/dbraw/zinc/19/38/89/244193889.db2.gz DZAHLNNOLNSTIH-UHFFFAOYSA-N 1 0 349.409 3.319 40 0 EGABRO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3)[N@@H+]2Cc2ccncc2)N1 ZINC000257220130 244180702 /nfs/dbraw/zinc/18/07/02/244180702.db2.gz DJQUWBYDKSUXRE-AABGKKOBSA-N 1 0 335.451 3.456 40 0 EGABRO CCOc1ccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019842297 212075267 /nfs/dbraw/zinc/07/52/67/212075267.db2.gz VAEVETGCFLHVTR-HSALFYBXSA-N 1 0 326.484 3.415 40 0 EGABRO Cn1cc(CCC(=O)NCC(C)(C)[NH+]2CCCCC2)c2ccccc21 ZINC000019657527 212054868 /nfs/dbraw/zinc/05/48/68/212054868.db2.gz PUESJTHVOHYWKG-UHFFFAOYSA-N 1 0 341.499 3.492 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019554920 212040848 /nfs/dbraw/zinc/04/08/48/212040848.db2.gz DIPGXDIVUVFCST-MRXNPFEDSA-N 1 0 336.395 3.130 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cnn(Cc2ccc(F)cc2)c1 ZINC000019500969 212034186 /nfs/dbraw/zinc/03/41/86/212034186.db2.gz PZUMMVAOJBKZEQ-GOSISDBHSA-N 1 0 344.434 3.274 40 0 EGABRO CCC[C@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019501862 212034002 /nfs/dbraw/zinc/03/40/02/212034002.db2.gz BNYGELVXRSDKMT-GOSISDBHSA-N 1 0 346.523 3.190 40 0 EGABRO Fc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)c1F ZINC000019292700 212012837 /nfs/dbraw/zinc/01/28/37/212012837.db2.gz CSUQIKDATUFUDA-CQSZACIVSA-N 1 0 342.349 3.399 40 0 EGABRO Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2ccc(OC(C)C)cc2)on1 ZINC000019120659 212001065 /nfs/dbraw/zinc/00/10/65/212001065.db2.gz PZGICOGAASAJCE-VQIMIIECSA-N 1 0 330.428 3.118 40 0 EGABRO Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1ccccc1N1CCOCC1 ZINC000078553817 217075348 /nfs/dbraw/zinc/07/53/48/217075348.db2.gz JJAJESNCLSBXBG-LJQANCHMSA-N 1 0 338.451 3.363 40 0 EGABRO Cc1cccc(C2(O)CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000012292403 211335035 /nfs/dbraw/zinc/33/50/35/211335035.db2.gz WPWBTWTZRIAURU-IBGZPJMESA-N 1 0 329.415 3.151 40 0 EGABRO CCc1ncc(C[N@@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012188836 211315429 /nfs/dbraw/zinc/31/54/29/211315429.db2.gz PBPMIVPPFLXIDI-IBGZPJMESA-N 1 0 329.419 3.052 40 0 EGABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)cc(N)n2n1 ZINC000012185885 211312932 /nfs/dbraw/zinc/31/29/32/211312932.db2.gz YHHQYRVLRKXMQZ-HNNXBMFYSA-N 1 0 339.418 3.139 40 0 EGABRO Cc1cc2nc([C@H]3CCCN3C(=O)C[NH+]3CCCCC3)[nH]c2cc1C ZINC000012144803 211304644 /nfs/dbraw/zinc/30/46/44/211304644.db2.gz MHIZWVJHCCXUMM-GOSISDBHSA-N 1 0 340.471 3.329 40 0 EGABRO Cc1ccc(CSCC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000010540272 211178461 /nfs/dbraw/zinc/17/84/61/211178461.db2.gz QXGNRSYKOMKHTF-UHFFFAOYSA-N 1 0 334.529 3.466 40 0 EGABRO O=C(COc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000010456669 211174245 /nfs/dbraw/zinc/17/42/45/211174245.db2.gz BHSMYNQAGREJND-UHFFFAOYSA-N 1 0 338.451 3.368 40 0 EGABRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1 ZINC000009861939 211128856 /nfs/dbraw/zinc/12/88/56/211128856.db2.gz QUWLSGPWMDGNIT-IERDGZPVSA-N 1 0 340.467 3.068 40 0 EGABRO O=S(=O)(NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000009453057 211085763 /nfs/dbraw/zinc/08/57/63/211085763.db2.gz LFLHFHZQNQGEDT-UHFFFAOYSA-N 1 0 344.480 3.151 40 0 EGABRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccsc1 ZINC000094992880 218272164 /nfs/dbraw/zinc/27/21/64/218272164.db2.gz NSVTYIDQPAJLEP-ZDUSSCGKSA-N 1 0 347.465 3.497 40 0 EGABRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CC2CCSCC2)C1 ZINC000095417000 218356954 /nfs/dbraw/zinc/35/69/54/218356954.db2.gz ZYPNJWXWCYLFHU-GOSISDBHSA-N 1 0 332.513 3.253 40 0 EGABRO c1ncn(Cc2ccccc2C[NH2+]Cc2cnc(C3CCC3)s2)n1 ZINC000095415404 218353276 /nfs/dbraw/zinc/35/32/76/218353276.db2.gz IHXJEKULVAUHND-UHFFFAOYSA-N 1 0 339.468 3.340 40 0 EGABRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCCn1ccccc1=O ZINC000095421231 218363231 /nfs/dbraw/zinc/36/32/31/218363231.db2.gz XMAUKGWTUYXWGQ-GOSISDBHSA-N 1 0 326.440 3.440 40 0 EGABRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000006205185 210601183 /nfs/dbraw/zinc/60/11/83/210601183.db2.gz JKSKMIRDTFBZCB-UHFFFAOYSA-N 1 0 345.487 3.277 40 0 EGABRO O=c1oc(C(c2ccccc2)c2ccccc2)nn1CC[NH+]1CCCC1 ZINC000005002400 210357943 /nfs/dbraw/zinc/35/79/43/210357943.db2.gz VMVILNLQXBOZFX-UHFFFAOYSA-N 1 0 349.434 3.112 40 0 EGABRO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cc(F)c(Cl)cc1Cl ZINC000181646136 533415723 /nfs/dbraw/zinc/41/57/23/533415723.db2.gz KAXUHSNNXJYEDW-NXEZZACHSA-N 1 0 332.206 3.041 40 0 EGABRO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000257324849 277038110 /nfs/dbraw/zinc/03/81/10/277038110.db2.gz WQLHNTRUEATMHM-SFHVURJKSA-N 1 0 330.476 3.138 40 0 EGABRO CC(C)[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccc(Cl)cc1 ZINC000057563043 280323526 /nfs/dbraw/zinc/32/35/26/280323526.db2.gz DALWWOACDTYXQY-HNNXBMFYSA-N 1 0 339.867 3.251 40 0 EGABRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(F)cc1F ZINC000245289755 289697900 /nfs/dbraw/zinc/69/79/00/289697900.db2.gz DWTLJCHKNYFOKD-XFBWCDHKSA-N 1 0 331.428 3.014 40 0 EGABRO CN(C(=O)Cc1nc(-c2ccc(F)cc2)cs1)[C@H]1CCC[N@H+](C)C1 ZINC000097097374 323214607 /nfs/dbraw/zinc/21/46/07/323214607.db2.gz NLSULLGZQMZDIC-HNNXBMFYSA-N 1 0 347.459 3.044 40 0 EGABRO CCSc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000129891408 323219319 /nfs/dbraw/zinc/21/93/19/323219319.db2.gz RCPAIPNSRWVRPU-CABCVRRESA-N 1 0 335.517 3.453 40 0 EGABRO COc1cccc([C@@H]2[C@@H](NCc3nc(C)c(C)o3)CCN2C2CC2)c1 ZINC000240555912 455264684 /nfs/dbraw/zinc/26/46/84/455264684.db2.gz GYCKVJVBGWYXBT-AZUAARDMSA-N 1 0 341.455 3.368 40 0 EGABRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccnc1 ZINC000189995473 455269049 /nfs/dbraw/zinc/26/90/49/455269049.db2.gz NRLKATQPWUJQFG-FZKQIMNGSA-N 1 0 345.393 3.202 40 0 EGABRO CCn1c[n+](C[C@H](O)COc2ccc(Cl)cc2)c2ccccc21 ZINC000000316240 452562681 /nfs/dbraw/zinc/56/26/81/452562681.db2.gz HTSVXNIAQWVWPC-HNNXBMFYSA-N 1 0 331.823 3.042 40 0 EGABRO Cc1ccc(N2CCN(c3c(N)c[nH+]cc3Br)CC2)cc1 ZINC000001699183 452675129 /nfs/dbraw/zinc/67/51/29/452675129.db2.gz IBAXMBJWBAUBDE-UHFFFAOYSA-N 1 0 347.260 3.061 40 0 EGABRO C[N@@H+]1CCC[C@H]1COC(=O)[C@@H](c1ccccc1)C1(O)CCCCC1 ZINC000004962060 452827195 /nfs/dbraw/zinc/82/71/95/452827195.db2.gz UNEGQFUYGINFAB-ZWKOTPCHSA-N 1 0 331.456 3.103 40 0 EGABRO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1 ZINC000005959320 452914363 /nfs/dbraw/zinc/91/43/63/452914363.db2.gz DFTJGGTUHBQNFE-SFHVURJKSA-N 1 0 330.472 3.310 40 0 EGABRO CC(C)[NH+](CCNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(C)C ZINC000007813926 453119099 /nfs/dbraw/zinc/11/90/99/453119099.db2.gz UXNRFYRVGPEYFD-IBGZPJMESA-N 1 0 348.487 3.093 40 0 EGABRO S=C(N[C@H]1C[C@H]2CC[C@@H]1C2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000007990768 453146088 /nfs/dbraw/zinc/14/60/88/453146088.db2.gz DEPXTJGCHSZECI-SCTDSRPQSA-N 1 0 343.540 3.304 40 0 EGABRO COc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000008011669 453149000 /nfs/dbraw/zinc/14/90/00/453149000.db2.gz GGKKZBJFDUDJFO-UHFFFAOYSA-N 1 0 338.451 3.150 40 0 EGABRO Cc1ccc(Sc2ncccc2C(=O)NCCC[NH+](C)C)cc1 ZINC000012996478 453436236 /nfs/dbraw/zinc/43/62/36/453436236.db2.gz SHKWUUPAVQIUJK-UHFFFAOYSA-N 1 0 329.469 3.223 40 0 EGABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1c[nH]c2c(Cl)cccc2c1=O ZINC000013565995 453469943 /nfs/dbraw/zinc/46/99/43/453469943.db2.gz VLABRWPKKLAJHH-LLVKDONJSA-N 1 0 348.834 3.200 40 0 EGABRO C[C@@H](Oc1cccc2ccccc21)C(=O)NCC[NH+]1CCCCC1 ZINC000013709540 453483400 /nfs/dbraw/zinc/48/34/00/453483400.db2.gz VBIXTWSDCZDPDL-MRXNPFEDSA-N 1 0 326.440 3.209 40 0 EGABRO CC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000014242184 453523897 /nfs/dbraw/zinc/52/38/97/453523897.db2.gz ZHIFIHIACTXESU-NSHGMRRFSA-N 1 0 331.456 3.284 40 0 EGABRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000016606235 453615689 /nfs/dbraw/zinc/61/56/89/453615689.db2.gz CAFIGDFINKZEJD-ZSZQSSIHSA-N 1 0 330.447 3.343 40 0 EGABRO CC(=O)N1CCc2cc([C@H](O)C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)ccc21 ZINC000019019180 453653555 /nfs/dbraw/zinc/65/35/55/453653555.db2.gz VLTGLJGOXUUTIJ-NBHGPNQESA-N 1 0 342.483 3.284 40 0 EGABRO CCN(CC)C(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[NH2+]1 ZINC000019696568 453658339 /nfs/dbraw/zinc/65/83/39/453658339.db2.gz BITUNCNKXLQUNU-FQEVSTJZSA-N 1 0 341.455 3.183 40 0 EGABRO O=C(CCCOc1ccccc1F)N1CCCCC[C@H]2[NH2+]CC[C@@H]21 ZINC000019712341 453658397 /nfs/dbraw/zinc/65/83/97/453658397.db2.gz CCZVWKQXVQDGSZ-SJORKVTESA-N 1 0 334.435 3.118 40 0 EGABRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932253 453821477 /nfs/dbraw/zinc/82/14/77/453821477.db2.gz WBVLCVHAYAQPDX-WCQYABFASA-N 1 0 343.254 3.067 40 0 EGABRO COCc1ccccc1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000029666340 453830572 /nfs/dbraw/zinc/83/05/72/453830572.db2.gz NQCBMVAZHHHELP-MRXNPFEDSA-N 1 0 338.451 3.010 40 0 EGABRO Cc1ccc(N2CC[NH+](C[C@H](O)CSc3ccccc3)CC2)cc1 ZINC000031666918 453851421 /nfs/dbraw/zinc/85/14/21/453851421.db2.gz SJBDPFFGRRTSAO-IBGZPJMESA-N 1 0 342.508 3.270 40 0 EGABRO CC[NH+]1CCN(c2ccccc2NC(=O)c2sc(C)nc2C)CC1 ZINC000032678886 453883505 /nfs/dbraw/zinc/88/35/05/453883505.db2.gz YAIGVQAPZBSKEZ-UHFFFAOYSA-N 1 0 344.484 3.154 40 0 EGABRO COc1ccc(C(=O)[C@H]2SC(=[NH2+])N[C@H]2c2ccc(OC)cc2)cc1 ZINC000033665197 453916352 /nfs/dbraw/zinc/91/63/52/453916352.db2.gz LRNIPQIMNMMAAB-RDJZCZTQSA-N 1 0 342.420 3.058 40 0 EGABRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)/C=C/c1cscn1 ZINC000076389828 453996541 /nfs/dbraw/zinc/99/65/41/453996541.db2.gz PHGKEJYLISEYIU-FDMDGMSGSA-N 1 0 341.480 3.279 40 0 EGABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000096039143 454265390 /nfs/dbraw/zinc/26/53/90/454265390.db2.gz CIKOGMGUTKCFOG-VQTJNVASSA-N 1 0 326.440 3.252 40 0 EGABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)co1 ZINC000096039976 454266933 /nfs/dbraw/zinc/26/69/33/454266933.db2.gz OAFDTTLQWVUFQE-MOPGFXCFSA-N 1 0 328.412 3.125 40 0 EGABRO COCCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(C)s1)CC2 ZINC000096047523 454269275 /nfs/dbraw/zinc/26/92/75/454269275.db2.gz KBFXHTCQQGKQSZ-SFHVURJKSA-N 1 0 336.501 3.050 40 0 EGABRO c1csc(CN2CCC3(CC[N@H+](Cc4nccs4)C3)CC2)n1 ZINC000096046615 454269723 /nfs/dbraw/zinc/26/97/23/454269723.db2.gz DUQHWLROKCAZKA-UHFFFAOYSA-N 1 0 334.514 3.088 40 0 EGABRO O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](Cc1ccncc1)C2 ZINC000096048750 454271720 /nfs/dbraw/zinc/27/17/20/454271720.db2.gz YFJNZGRRUHFXTM-SFHVURJKSA-N 1 0 327.453 3.162 40 0 EGABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21 ZINC000096053190 454272925 /nfs/dbraw/zinc/27/29/25/454272925.db2.gz UNJBFAYGNRCDRM-KRWDZBQOSA-N 1 0 342.483 3.276 40 0 EGABRO c1cc(C[NH+]2CCC3(C[C@H](OCc4ccncc4)CO3)CC2)co1 ZINC000096106817 454284339 /nfs/dbraw/zinc/28/43/39/454284339.db2.gz XEQMLVJDMYHCRZ-SFHVURJKSA-N 1 0 328.412 3.015 40 0 EGABRO Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCC3CCOCC3)C2)no1 ZINC000096109202 454285683 /nfs/dbraw/zinc/28/56/83/454285683.db2.gz CSVLROUKBUZMSO-MJGOQNOKSA-N 1 0 334.460 3.028 40 0 EGABRO COc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1C ZINC000096125664 454289582 /nfs/dbraw/zinc/28/95/82/454289582.db2.gz NPCSKROGDNFYQF-UHFFFAOYSA-N 1 0 338.451 3.182 40 0 EGABRO c1cc(-c2ccc3nc(C4CC[NH+](CC5CC5)CC4)nn3c2)ccn1 ZINC000096155784 454294577 /nfs/dbraw/zinc/29/45/77/454294577.db2.gz HBMFXTZDPFXUON-UHFFFAOYSA-N 1 0 333.439 3.381 40 0 EGABRO CCOC[C@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)[N@@H+]1CC1CC1 ZINC000096208002 454304599 /nfs/dbraw/zinc/30/45/99/454304599.db2.gz HZUUCYAGGBLXEM-GOSISDBHSA-N 1 0 346.471 3.165 40 0 EGABRO Cc1ccoc1C(=O)N1CCC2(CC[C@@H](COCC3CC3)[N@H+]2C)CC1 ZINC000096208670 454304992 /nfs/dbraw/zinc/30/49/92/454304992.db2.gz OSEROHBRIKNYJP-KRWDZBQOSA-N 1 0 346.471 3.084 40 0 EGABRO Cc1ccc(N2CCC[C@]3(CC[N@H+](Cc4ccc(F)cc4)C3)C2)nn1 ZINC000096216988 454307694 /nfs/dbraw/zinc/30/76/94/454307694.db2.gz DBUNFDGAQHGFJG-HXUWFJFHSA-N 1 0 340.446 3.417 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@]3(C[C@H](Nc4cccnc4)CO3)C2)n1 ZINC000096222833 454308932 /nfs/dbraw/zinc/30/89/32/454308932.db2.gz IPUZESSZBBOFLB-PMACEKPBSA-N 1 0 338.455 3.021 40 0 EGABRO Fc1cccnc1N[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccco1)C2 ZINC000096222995 454309197 /nfs/dbraw/zinc/30/91/97/454309197.db2.gz OZDGSDVDQYQUEW-KDOFPFPSSA-N 1 0 331.391 3.049 40 0 EGABRO Cc1cccc(C[NH+]2CCC3(CC[C@@H](C(=O)NC(C)C)C3)CC2)n1 ZINC000096227846 454309297 /nfs/dbraw/zinc/30/92/97/454309297.db2.gz CAAJTGGNEIDVPR-QGZVFWFLSA-N 1 0 329.488 3.297 40 0 EGABRO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1ccsc1)CC2 ZINC000096240310 454311695 /nfs/dbraw/zinc/31/16/95/454311695.db2.gz PQTPIZNALQWNTO-INIZCTEOSA-N 1 0 336.501 3.100 40 0 EGABRO FCCN1CCC2(CC1)C[C@H]([NH2+]C1CCOCC1)c1ccccc1O2 ZINC000096242736 454312058 /nfs/dbraw/zinc/31/20/58/454312058.db2.gz QOXHMROPQIKQRN-SFHVURJKSA-N 1 0 348.462 3.083 40 0 EGABRO Cc1nccn1Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC000096427196 454340654 /nfs/dbraw/zinc/34/06/54/454340654.db2.gz UICMZCRIEZLHII-IBGZPJMESA-N 1 0 340.471 3.441 40 0 EGABRO Cc1csc(CCC[NH2+]C2CCN(Cc3ccncc3)CC2)n1 ZINC000096476954 454363036 /nfs/dbraw/zinc/36/30/36/454363036.db2.gz DVXYCQSQRONZOH-UHFFFAOYSA-N 1 0 330.501 3.033 40 0 EGABRO COc1ccc([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)cc1NC(C)=O ZINC000096476517 454363100 /nfs/dbraw/zinc/36/31/00/454363100.db2.gz XBMUGDYQLUDHJJ-CXAGYDPISA-N 1 0 340.423 3.308 40 0 EGABRO CC(=O)c1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1C ZINC000096491536 454368740 /nfs/dbraw/zinc/36/87/40/454368740.db2.gz WIYHQCDHSXKZSV-INIZCTEOSA-N 1 0 329.444 3.147 40 0 EGABRO O[C@]1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CCSC1 ZINC000097103441 454407193 /nfs/dbraw/zinc/40/71/93/454407193.db2.gz NGXNWDHHRLRUCC-GOSISDBHSA-N 1 0 345.468 3.047 40 0 EGABRO C[C@@H](C1CC1)[N@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000048309285 454472167 /nfs/dbraw/zinc/47/21/67/454472167.db2.gz UUXICRUWFHABRZ-ZDUSSCGKSA-N 1 0 346.862 3.254 40 0 EGABRO c1coc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)o2)c1 ZINC000049169508 454536961 /nfs/dbraw/zinc/53/69/61/454536961.db2.gz OCQBXSZQAJFGHW-ZDUSSCGKSA-N 1 0 339.351 3.048 40 0 biogenic,in-vitro EGABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC1CC[NH+](C)CC1 ZINC000113951210 454940599 /nfs/dbraw/zinc/94/05/99/454940599.db2.gz TZKUDYCCVFVUAA-LJQANCHMSA-N 1 0 326.440 3.208 40 0 EGABRO CCc1nc(C)c([C@H](C)Nc2ccc(N3CCOCC3)cn2)s1 ZINC000182871582 455180543 /nfs/dbraw/zinc/18/05/43/455180543.db2.gz XLNOGGODQKCOMC-LBPRGKRZSA-N 1 0 332.473 3.419 40 0 EGABRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249840057 455778395 /nfs/dbraw/zinc/77/83/95/455778395.db2.gz WBVLCVHAYAQPDX-AAEUAGOBSA-N 1 0 343.254 3.067 40 0 EGABRO CS(=O)(=O)CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCc2ccccc21 ZINC000252486184 455811249 /nfs/dbraw/zinc/81/12/49/455811249.db2.gz GMYMFWXGMSIVJE-OALUTQOASA-N 1 0 335.513 3.396 40 0 EGABRO C[C@@H]1CN(c2nccc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)n2)C[C@H](C)O1 ZINC000253603293 455854968 /nfs/dbraw/zinc/85/49/68/455854968.db2.gz JSRKLFWAMGIZPM-MJQMVNBJSA-N 1 0 344.503 3.245 40 0 EGABRO Cc1ccsc1C(=O)N1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257287461 455882881 /nfs/dbraw/zinc/88/28/81/455882881.db2.gz PQCAZYSRFKLENH-INIZCTEOSA-N 1 0 345.468 3.040 40 0 EGABRO Cc1nc([C@@H]2CCCCN2C(=O)c2cccs2)cc2c[nH+]cn21 ZINC000257333353 455894320 /nfs/dbraw/zinc/89/43/20/455894320.db2.gz YBFWSZVKSKXEAW-HNNXBMFYSA-N 1 0 326.425 3.467 40 0 EGABRO COCC[NH+]1CCC(c2cccc(-c3ccnn3C(C)C)n2)CC1 ZINC000257337104 455894442 /nfs/dbraw/zinc/89/44/42/455894442.db2.gz YRJOPULYBRHBRF-UHFFFAOYSA-N 1 0 328.460 3.352 40 0 EGABRO O=C(c1ccccc1)N(c1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257343867 455896284 /nfs/dbraw/zinc/89/62/84/455896284.db2.gz ZURZXLDLIVLLRW-LJQANCHMSA-N 1 0 336.435 3.245 40 0 EGABRO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3c(C)nc4sccn34)C2)n1 ZINC000257338628 455896301 /nfs/dbraw/zinc/89/63/01/455896301.db2.gz YYGIHTFJUOCLIZ-AWEZNQCLSA-N 1 0 329.473 3.126 40 0 EGABRO FC(F)(F)CCN1CCC([NH2+][C@@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000195556442 455985009 /nfs/dbraw/zinc/98/50/09/455985009.db2.gz PHYIJFVUNLUUES-HZPDHXFCSA-N 1 0 344.425 3.373 40 0 EGABRO C[C@H]([NH2+][C@@H]1CCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)c1ccncc1 ZINC000195569390 455986090 /nfs/dbraw/zinc/98/60/90/455986090.db2.gz SUBXMRPIHFNJMC-USXIJHARSA-N 1 0 349.434 3.340 40 0 EGABRO CCOC(=O)[C@@H](CN)[C@@]1([NH+]2CCCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216352068 456029588 /nfs/dbraw/zinc/02/95/88/456029588.db2.gz YDFIKGOBEHXAQA-JSJNYSNDSA-N 1 0 336.520 3.195 40 0 EGABRO CCOC(=O)[C@@H](CN)[C@]1([NH+]2CCCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351982 456029739 /nfs/dbraw/zinc/02/97/39/456029739.db2.gz YDFIKGOBEHXAQA-ACZWYYKOSA-N 1 0 336.520 3.195 40 0 EGABRO COc1ccc(CCC(=O)NCCC[NH+]2CCC(C)CC2)cc1C ZINC000223675617 456060277 /nfs/dbraw/zinc/06/02/77/456060277.db2.gz FHHDRXGFQMROTL-UHFFFAOYSA-N 1 0 332.488 3.174 40 0 EGABRO Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]cn3)n2)s1 ZINC000225399812 456079959 /nfs/dbraw/zinc/07/99/59/456079959.db2.gz XLBLYKAIHQWBHX-LBPRGKRZSA-N 1 0 349.847 3.088 40 0 biogenic,in-vitro EGABRO O=S1(=O)CCC[C@@H](C[NH2+]C2(Cc3ccccc3)CCCCC2)C1 ZINC000225469001 456085483 /nfs/dbraw/zinc/08/54/83/456085483.db2.gz PZMVUIMAURBXMN-SFHVURJKSA-N 1 0 335.513 3.346 40 0 EGABRO CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc3nc(C)ccc3c2)CC1 ZINC000225481888 456086047 /nfs/dbraw/zinc/08/60/47/456086047.db2.gz UPTVHPAHYRGQQF-OAHLLOKOSA-N 1 0 325.456 3.280 40 0 EGABRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000225586789 456094353 /nfs/dbraw/zinc/09/43/53/456094353.db2.gz GGRCZJZUTKJZPA-GFCCVEGCSA-N 1 0 330.350 3.441 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc2c(c1)OCO2 ZINC000225581450 456095300 /nfs/dbraw/zinc/09/53/00/456095300.db2.gz VMRUQJQJIVMAEJ-OAHLLOKOSA-N 1 0 349.500 3.356 40 0 EGABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225607046 456097137 /nfs/dbraw/zinc/09/71/37/456097137.db2.gz SHNYPJHNRSCRAD-IBGZPJMESA-N 1 0 336.476 3.407 40 0 EGABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC000225706591 456104623 /nfs/dbraw/zinc/10/46/23/456104623.db2.gz CLPRDOVHZGUZIT-UHFFFAOYSA-N 1 0 346.471 3.449 40 0 EGABRO c1nc2n(c1-c1ccccc1)C[C@@H]1C[N@@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306138267 456567124 /nfs/dbraw/zinc/56/71/24/456567124.db2.gz RTVCZACNJSGRPG-MOPGFXCFSA-N 1 0 330.435 3.249 40 0 EGABRO Cc1nc(CN2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccc(C)n2)cs1 ZINC000306135986 456568138 /nfs/dbraw/zinc/56/81/38/456568138.db2.gz PFTPJMUKBMQMGZ-QZTJIDSGSA-N 1 0 328.485 3.004 40 0 EGABRO C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000306144662 456569152 /nfs/dbraw/zinc/56/91/52/456569152.db2.gz ZLKROWIWYVFQCQ-GRZALLJUSA-N 1 0 336.476 3.167 40 0 EGABRO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099669 459823407 /nfs/dbraw/zinc/82/34/07/459823407.db2.gz WATWQQIJTNYWIC-KXBFYZLASA-N 1 0 341.480 3.329 40 0 EGABRO CC(=O)N[C@H]1CCC[N@H+](Cc2ncccc2C)[C@H]1Cc1ccccc1 ZINC000585268901 459832366 /nfs/dbraw/zinc/83/23/66/459832366.db2.gz CZSREKQWYJKKFU-FPOVZHCZSA-N 1 0 337.467 3.102 40 0 EGABRO CCOCCOc1ccc(C[N@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000585269622 459832648 /nfs/dbraw/zinc/83/26/48/459832648.db2.gz CNBIIDWSNSSUHO-HXUWFJFHSA-N 1 0 329.440 3.267 40 0 EGABRO CCCC(CCC)[N@@H+]1CCOC[C@@](O)(COc2cccc(C)c2)C1 ZINC000585288116 459833868 /nfs/dbraw/zinc/83/38/68/459833868.db2.gz WOGDQMVGDMHTMW-HXUWFJFHSA-N 1 0 335.488 3.406 40 0 EGABRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1csc(Cl)c1 ZINC000191559321 534810707 /nfs/dbraw/zinc/81/07/07/534810707.db2.gz HQLGFRFVUQFKQR-UHFFFAOYSA-N 1 0 342.892 3.166 40 0 EGABRO C[C@H](CC(=O)Nc1ccc(-c2csnn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000151702960 546858438 /nfs/dbraw/zinc/85/84/38/546858438.db2.gz QJSPMJBFSIVEHX-TZMCWYRMSA-N 1 0 330.457 3.169 40 0 EGABRO CC[C@@H]1CN(CCn2cccn2)CC[N@@H+]1C/C(C)=C/c1ccccc1 ZINC000678250402 549443659 /nfs/dbraw/zinc/44/36/59/549443659.db2.gz BMRRZDFLHCCNHB-WEIUTZTHSA-N 1 0 338.499 3.383 40 0 EGABRO Fc1ccc(C2=C(COc3ccc4c(c3)OCO4)C[NH2+]CC2)cc1 ZINC000231187789 1296167768 /nfs/dbraw/zinc/16/77/68/1296167768.db2.gz ZXHFJAQFFDJKCZ-UHFFFAOYSA-N 1 0 327.355 3.380 40 0 EGABRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COCCOc1ccc(F)cc1 ZINC000041690333 213463171 /nfs/dbraw/zinc/46/31/71/213463171.db2.gz MQVAJSQODZLYCU-MRXNPFEDSA-N 1 0 341.467 3.386 40 0 EGABRO C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COCc1ccccc1Cl ZINC000068045959 215271864 /nfs/dbraw/zinc/27/18/64/215271864.db2.gz WEGQYKZIDMHISK-KRWDZBQOSA-N 1 0 337.822 3.489 40 0 EGABRO CC[NH+](CC)CCC(CC[NH+](CC)CC)(C(=O)[O-])c1ccccc1 ZINC000001646368 209773998 /nfs/dbraw/zinc/77/39/98/209773998.db2.gz LMIVFELYLVJSDQ-UHFFFAOYSA-N 1 0 334.504 3.473 40 0 EGABRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(C)n1)c1cccc(OC)c1 ZINC000037163011 213134244 /nfs/dbraw/zinc/13/42/44/213134244.db2.gz DCCGUNFJTRNZHX-LJQANCHMSA-N 1 0 341.455 3.212 40 0 EGABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cccn1C ZINC000036740333 213114449 /nfs/dbraw/zinc/11/44/49/213114449.db2.gz BPIBFSLOCMJVGV-UHFFFAOYSA-N 1 0 338.455 3.323 40 0 EGABRO CCOc1ccc([C@]2(O)[C@H](C)[N+](c3ccccc3)=C3CCCN32)cc1 ZINC000035682891 213046257 /nfs/dbraw/zinc/04/62/57/213046257.db2.gz WPECARLCIGYCFT-HRAATJIYSA-N 1 0 337.443 3.344 40 0 EGABRO Cc1cc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)on1 ZINC000072291504 216126607 /nfs/dbraw/zinc/12/66/07/216126607.db2.gz RMRHWVGSXZKYKU-UHFFFAOYSA-N 1 0 342.443 3.013 40 0 EGABRO Cc1cc(NC(=O)CCc2cc(C)nc([C@H]3CCC[N@H+]3C)c2)no1 ZINC000072360549 216167665 /nfs/dbraw/zinc/16/76/65/216167665.db2.gz JVBSCYVVGXSQML-MRXNPFEDSA-N 1 0 328.416 3.024 40 0 EGABRO COc1ccc(C[NH+]2CCC(c3nccnc3-n3ccnc3)CC2)cc1 ZINC000072350510 216162301 /nfs/dbraw/zinc/16/23/01/216162301.db2.gz QSTJPKSJWSWODG-UHFFFAOYSA-N 1 0 349.438 3.051 40 0 EGABRO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1cccc(-n2ccnc2C)n1 ZINC000072355634 216163961 /nfs/dbraw/zinc/16/39/61/216163961.db2.gz VCBBTXIYMKUZHF-SFHVURJKSA-N 1 0 348.454 3.350 40 0 EGABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1cnc(C)n1C ZINC000022913596 212332855 /nfs/dbraw/zinc/33/28/55/212332855.db2.gz LMWNYAWYCYVLJM-MRXNPFEDSA-N 1 0 332.517 3.277 40 0 EGABRO Cn1nc(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)c2ccccc21 ZINC000194182175 240471560 /nfs/dbraw/zinc/47/15/60/240471560.db2.gz HQEFWHCBCCCZCV-AYOQOUSVSA-N 1 0 325.456 3.053 40 0 EGABRO CCOc1ccc(C(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OCC ZINC000225064910 241791009 /nfs/dbraw/zinc/79/10/09/241791009.db2.gz WSMFIQVWROSOMM-HZPDHXFCSA-N 1 0 348.487 3.192 40 0 EGABRO Cn1cncc1C[N@@H+]1CCC[C@@H](c2ccnc(Nc3ccccn3)c2)C1 ZINC000257206759 244135712 /nfs/dbraw/zinc/13/57/12/244135712.db2.gz BEUQNPJOSHKPIK-QGZVFWFLSA-N 1 0 348.454 3.333 40 0 EGABRO Cn1cncc1-c1cccc(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000257219541 244176743 /nfs/dbraw/zinc/17/67/43/244176743.db2.gz DHEAJODJHLBNAD-UHFFFAOYSA-N 1 0 333.439 3.257 40 0 EGABRO c1ccc(CO[C@H]2C[N@H+](Cc3ccccn3)CC[C@@]23CCCO3)cc1 ZINC000257225119 244198336 /nfs/dbraw/zinc/19/83/36/244198336.db2.gz FEXIFRKRXFJZPL-SFTDATJTSA-N 1 0 338.451 3.422 40 0 EGABRO CC(C)[C@H]1COC(=O)N1c1cncc(C2CC[NH+](C(C)C)CC2)n1 ZINC000257232334 244216947 /nfs/dbraw/zinc/21/69/47/244216947.db2.gz GKLGOKLMXUGXNJ-MRXNPFEDSA-N 1 0 332.448 3.046 40 0 EGABRO Cn1c(C[N@@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)nc2ccccc21 ZINC000257250219 244267875 /nfs/dbraw/zinc/26/78/75/244267875.db2.gz JLOULRBRNIERKX-HNNXBMFYSA-N 1 0 346.438 3.224 40 0 EGABRO CCn1cncc1CN1CC[NH+](CC2(c3ccc(C)cc3)CC2)CC1 ZINC000019578651 212046921 /nfs/dbraw/zinc/04/69/21/212046921.db2.gz IECNQHSTZUNJQT-UHFFFAOYSA-N 1 0 338.499 3.061 40 0 EGABRO CN1CC[N@H+](CC2CC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019589487 212049494 /nfs/dbraw/zinc/04/94/94/212049494.db2.gz SGJNVLLRZRUWMK-OAQYLSRUSA-N 1 0 349.478 3.091 40 0 EGABRO CCCn1ncc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2CCSC)c1C ZINC000019525959 212037881 /nfs/dbraw/zinc/03/78/81/212037881.db2.gz JGPRZYUHPUAYDD-ZWKOTPCHSA-N 1 0 336.549 3.003 40 0 EGABRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc2ccc(N(C)C)cc2[nH]1 ZINC000019456151 212029427 /nfs/dbraw/zinc/02/94/27/212029427.db2.gz XTOSTLPCYIRVFO-HNNXBMFYSA-N 1 0 342.487 3.228 40 0 EGABRO C[C@H]([NH2+]Cc1cc(-c2ccc(F)cc2)cn2nnnc12)c1ccncc1 ZINC000019459805 212030226 /nfs/dbraw/zinc/03/02/26/212030226.db2.gz OQHBYLKRLMTXJL-ZDUSSCGKSA-N 1 0 348.385 3.176 40 0 EGABRO Fc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1F ZINC000019340973 212018125 /nfs/dbraw/zinc/01/81/25/212018125.db2.gz MUJSLXBKECCLSA-CQSZACIVSA-N 1 0 342.349 3.399 40 0 EGABRO Cn1nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)c2nccnc21 ZINC000019289388 212011660 /nfs/dbraw/zinc/01/16/60/212011660.db2.gz NGWSPPBADLPJNP-CYBMUJFWSA-N 1 0 343.381 3.021 40 0 EGABRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000078552704 217073218 /nfs/dbraw/zinc/07/32/18/217073218.db2.gz LEKDMRCTUOCUQX-UHFFFAOYSA-N 1 0 336.480 3.196 40 0 EGABRO C[C@@H]([NH2+]C1(CNC(=O)CC(C)(C)C)CCOCC1)c1ccccc1 ZINC000079096458 217191842 /nfs/dbraw/zinc/19/18/42/217191842.db2.gz OADMYSFTVLZRCC-MRXNPFEDSA-N 1 0 332.488 3.439 40 0 EGABRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)/C=C/C(C)(C)C)CC1 ZINC000079309538 217206915 /nfs/dbraw/zinc/20/69/15/217206915.db2.gz AVWFGVHVWSAIQB-ZHACJKMWSA-N 1 0 343.471 3.005 40 0 EGABRO COc1ccc([C@@H]2[C@H](CNC(=O)c3ccoc3)CCC[N@@H+]2C)cc1 ZINC000110595899 220046480 /nfs/dbraw/zinc/04/64/80/220046480.db2.gz KHUKBMRDWWBWLO-MAUKXSAKSA-N 1 0 328.412 3.101 40 0 EGABRO O[C@@H]1C[C@@H](C2CCCCC2)[N@H+](Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000110645464 220051187 /nfs/dbraw/zinc/05/11/87/220051187.db2.gz QVUWMUQYNWYQRJ-SJORKVTESA-N 1 0 345.418 3.391 40 0 EGABRO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@@H](CO)C1 ZINC000110691348 220056766 /nfs/dbraw/zinc/05/67/66/220056766.db2.gz QQCQLJWBIRIREL-NXEZZACHSA-N 1 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/nfs/dbraw/zinc/36/47/32/218364732.db2.gz KNNJMFUADCRUNG-GXTWGEPZSA-N 1 0 336.361 3.425 40 0 EGABRO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1ccc([S@@](C)=O)cc1 ZINC000095423595 218366312 /nfs/dbraw/zinc/36/63/12/218366312.db2.gz YIFAOOGNRFZBDY-SPSFWMDKSA-N 1 0 339.407 3.432 40 0 EGABRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1nc2ccccc2n1C ZINC000095448863 218393272 /nfs/dbraw/zinc/39/32/72/218393272.db2.gz CYNFPYSBPXAGLL-SCLBCKFNSA-N 1 0 327.403 3.314 40 0 EGABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CC(C)C)o2)c1 ZINC000006883615 257865038 /nfs/dbraw/zinc/86/50/38/257865038.db2.gz HPMFUEVWDHKMQJ-UHFFFAOYSA-N 1 0 345.395 3.265 40 0 EGABRO c1csc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccoc4)C2)OC3)c1 ZINC000306142707 257925756 /nfs/dbraw/zinc/92/57/56/257925756.db2.gz XGXZIHRSYXAMFW-SFHVURJKSA-N 1 0 341.436 3.380 40 0 EGABRO FC(F)(F)c1ccc(CN2CCC[N@H+](C[C@@H]3CCOC3)CC2)cc1 ZINC000330033285 258002268 /nfs/dbraw/zinc/00/22/68/258002268.db2.gz YQPPKPJTNYWJCP-INIZCTEOSA-N 1 0 342.405 3.250 40 0 EGABRO Cc1cc(N2CCC(CNC(=O)Nc3cccs3)CC2)cc[nH+]1 ZINC000253401946 135622310 /nfs/dbraw/zinc/62/23/10/135622310.db2.gz NTTBHMRWKZHADJ-UHFFFAOYSA-N 1 0 330.457 3.490 40 0 EGABRO CCOC1CC[NH+](C[C@@](C)(O)c2ccccc2C(F)(F)F)CC1 ZINC000075645210 286019129 /nfs/dbraw/zinc/01/91/29/286019129.db2.gz FLQXNJNPSWNPFX-MRXNPFEDSA-N 1 0 331.378 3.414 40 0 EGABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21 ZINC000096241886 273948833 /nfs/dbraw/zinc/94/88/33/273948833.db2.gz DIBXHKLDBWQECN-SFHVURJKSA-N 1 0 349.478 3.239 40 0 EGABRO O=C(N[C@@H]1c2ccccc2[C@@H]2C[NH2+]C[C@@H]21)c1nccc2ccccc21 ZINC000096156964 274990059 /nfs/dbraw/zinc/99/00/59/274990059.db2.gz SVBRSAFEICLDHD-GBESFXJTSA-N 1 0 329.403 3.023 40 0 EGABRO Cc1ccc2c(c1)CN(C(=O)C1CCCCC1)[C@@H](C[NH+](C)C)CO2 ZINC000012406581 281065077 /nfs/dbraw/zinc/06/50/77/281065077.db2.gz DXVIGPRWTHAYMZ-SFHVURJKSA-N 1 0 330.472 3.227 40 0 EGABRO OCC[NH+](CCO)[C@@H](Cc1ccccc1)c1cccc2ccccc21 ZINC000006580596 304824996 /nfs/dbraw/zinc/82/49/96/304824996.db2.gz GETONNYTKAUPTQ-QFIPXVFZSA-N 1 0 335.447 3.410 40 0 EGABRO COC1CCC([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000183133790 455235780 /nfs/dbraw/zinc/23/57/80/455235780.db2.gz JPDXEEYMMQWZDF-UHFFFAOYSA-N 1 0 325.836 3.201 40 0 EGABRO Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000000307257 452559470 /nfs/dbraw/zinc/55/94/70/452559470.db2.gz UQFHAITUQLTGLN-LJQANCHMSA-N 1 0 347.438 3.367 40 0 EGABRO OCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000001555487 452668410 /nfs/dbraw/zinc/66/84/10/452668410.db2.gz FHGFQQXEMNVJIA-HOTGVXAUSA-N 1 0 326.223 3.350 40 0 EGABRO CCc1nn2c(nc(C)cc2N2CC[NH+](C)CC2)c1-c1cccs1 ZINC000004986685 452828903 /nfs/dbraw/zinc/82/89/03/452828903.db2.gz VLAIBFZUIYYLAH-UHFFFAOYSA-N 1 0 341.484 3.080 40 0 EGABRO CCC(C)(C)[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000012754927 453398021 /nfs/dbraw/zinc/39/80/21/453398021.db2.gz OZLZUDJAJKNHQU-UHFFFAOYSA-N 1 0 338.473 3.130 40 0 EGABRO Cc1ccc(NC(=[NH2+])Nc2nc3c(c(=O)[nH]2)CCCC3)cc1Cl ZINC000013634063 453476815 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Cc1ncc(C[NH2+]Cc2cccc(-n3cncn3)c2)n1-c1ccccc1 ZINC000084044269 453966478 /nfs/dbraw/zinc/96/64/78/453966478.db2.gz VDIASJQSSVWUJO-UHFFFAOYSA-N 1 0 344.422 3.051 40 0 EGABRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(Cl)cn2)CC1 ZINC000084259281 453981415 /nfs/dbraw/zinc/98/14/15/453981415.db2.gz DWWMLWWUTNDYQK-UHFFFAOYSA-N 1 0 343.858 3.472 40 0 EGABRO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cncn2C)s1 ZINC000043277894 454052918 /nfs/dbraw/zinc/05/29/18/454052918.db2.gz OZWRPODPRSMGQH-UHFFFAOYSA-N 1 0 329.473 3.079 40 0 EGABRO CC[NH+]1CCN(c2ccc3nc(-n4nc(C)cc4C)sc3c2)CC1 ZINC000057332245 454120217 /nfs/dbraw/zinc/12/02/17/454120217.db2.gz CDCBMYHIFYDLFA-UHFFFAOYSA-N 1 0 341.484 3.241 40 0 EGABRO OCC[N@H+](Cc1cccnc1)Cc1ccnc2ccc(Cl)cc12 ZINC000057796973 454147175 /nfs/dbraw/zinc/14/71/75/454147175.db2.gz YPFFZLQOVPWPRY-UHFFFAOYSA-N 1 0 327.815 3.278 40 0 EGABRO CS[C@H](C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000045943039 454199491 /nfs/dbraw/zinc/19/94/91/454199491.db2.gz OVNNXLHOPVFLQW-CQSZACIVSA-N 1 0 349.500 3.191 40 0 EGABRO Cc1csc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)n1 ZINC000096039917 454266890 /nfs/dbraw/zinc/26/68/90/454266890.db2.gz IVNQIJBEZJPDBE-FUHWJXTLSA-N 1 0 336.501 3.249 40 0 EGABRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2=O)c1 ZINC000096050578 454272435 /nfs/dbraw/zinc/27/24/35/454272435.db2.gz DNXQCBLDYYXZMZ-OAQYLSRUSA-N 1 0 335.451 3.015 40 0 EGABRO FC1(F)CC[N@H+](Cc2cccnc2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096051158 454272529 /nfs/dbraw/zinc/27/25/29/454272529.db2.gz FLJQMBPRQVQEOG-GOSISDBHSA-N 1 0 344.409 3.214 40 0 EGABRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccsc2)cs1 ZINC000096056575 454274314 /nfs/dbraw/zinc/27/43/14/454274314.db2.gz CTKHSQNYGWIILR-HZPDHXFCSA-N 1 0 347.509 3.279 40 0 EGABRO Fc1cccc(O[C@H]2C[C@H]3CN(Cc4cccs4)CC[N@@H+]3C2)c1 ZINC000096055135 454275121 /nfs/dbraw/zinc/27/51/21/454275121.db2.gz DMCBCGNLDSUMOU-RDJZCZTQSA-N 1 0 332.444 3.225 40 0 EGABRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cccnc2)CC3)cs1 ZINC000096075303 454279786 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COc1cccc(C(=O)NCC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000245130814 455279067 /nfs/dbraw/zinc/27/90/67/455279067.db2.gz UYWPGBMWYACJDD-UHFFFAOYSA-N 1 0 348.512 3.033 40 0 EGABRO CC[NH+](CC)CC[C@@H]1Cn2nccc2CN(Cc2ccsc2)C1 ZINC000248252915 455701520 /nfs/dbraw/zinc/70/15/20/455701520.db2.gz MZVHBCYYTYDRDX-INIZCTEOSA-N 1 0 332.517 3.309 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000248391313 455712749 /nfs/dbraw/zinc/71/27/49/455712749.db2.gz UTNSQQUATZXUSP-CAOSSQGBSA-N 1 0 338.492 3.179 40 0 EGABRO C[N@@H+]1CCc2c(cccc2NC(=O)c2ncccc2Br)C1 ZINC000252490081 455811976 /nfs/dbraw/zinc/81/19/76/455811976.db2.gz KIQPPFCCEZTOIJ-UHFFFAOYSA-N 1 0 346.228 3.084 40 0 EGABRO Cc1cccnc1[C@H]1CCC[C@]2(C1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000252498347 455814297 /nfs/dbraw/zinc/81/42/97/455814297.db2.gz QZFHGTFQYWCUMX-XOBRGWDASA-N 1 0 346.438 3.300 40 0 EGABRO Cc1nnc(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)o1 ZINC000253392690 455838326 /nfs/dbraw/zinc/83/83/26/455838326.db2.gz UCGOLJLZUKEFKF-VQTJNVASSA-N 1 0 348.450 3.136 40 0 EGABRO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@H+](Cc3ccncc3)C2)ncn1 ZINC000257288688 455884336 /nfs/dbraw/zinc/88/43/36/455884336.db2.gz PVEIBDWQRQJGBS-QGZVFWFLSA-N 1 0 349.438 3.208 40 0 EGABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000257299532 455886472 /nfs/dbraw/zinc/88/64/72/455886472.db2.gz RQKZJOOOIFAFKE-OAQYLSRUSA-N 1 0 337.467 3.487 40 0 EGABRO C[C@@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1cccc(OC(F)F)c1 ZINC000261627999 455916276 /nfs/dbraw/zinc/91/62/76/455916276.db2.gz CQYGNGLNARSONR-RISCZKNCSA-N 1 0 326.387 3.243 40 0 EGABRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195201072 455932566 /nfs/dbraw/zinc/93/25/66/455932566.db2.gz YHYRPFNDRBNAGN-ACJLOTCBSA-N 1 0 336.480 3.026 40 0 EGABRO Cc1ccc([C@](C)(O)C[NH2+]C2CCC(O)(c3cccc(F)c3)CC2)o1 ZINC000195560711 455985309 /nfs/dbraw/zinc/98/53/09/455985309.db2.gz JWOCZZYNPAWPDF-SKINQDTJSA-N 1 0 347.430 3.355 40 0 EGABRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000195562029 455985486 /nfs/dbraw/zinc/98/54/86/455985486.db2.gz CFERQOTZURSPBJ-WMLDXEAASA-N 1 0 337.423 3.265 40 0 EGABRO Cc1cccc(N2CCC(C(=O)N(C)Cc3ccsc3)CC2)n1 ZINC000225393850 456079822 /nfs/dbraw/zinc/07/98/22/456079822.db2.gz WYADVUASDPFTTL-UHFFFAOYSA-N 1 0 329.469 3.327 40 0 EGABRO C[NH+]1CCC(Oc2ccc(NC(=O)Cc3ccccc3F)cc2)CC1 ZINC000225450317 456084331 /nfs/dbraw/zinc/08/43/31/456084331.db2.gz CLDWAINIAICPSS-UHFFFAOYSA-N 1 0 342.414 3.480 40 0 EGABRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000225515612 456089435 /nfs/dbraw/zinc/08/94/35/456089435.db2.gz KVFNNYDURKLOKJ-MJBXVCDLSA-N 1 0 330.436 3.134 40 0 EGABRO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1cc2ccccc2o1 ZINC000225568205 456093778 /nfs/dbraw/zinc/09/37/78/456093778.db2.gz MKRCOVHMVOYWAQ-INIZCTEOSA-N 1 0 344.480 3.380 40 0 EGABRO c1cc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)co1 ZINC000306138325 456568112 /nfs/dbraw/zinc/56/81/12/456568112.db2.gz RUWBVOBHKUCRTA-SFHVURJKSA-N 1 0 345.406 3.374 40 0 EGABRO Cc1cc(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)no1 ZINC000329084022 456830880 /nfs/dbraw/zinc/83/08/80/456830880.db2.gz SZFUSWQLGQVIBL-KSZLIROESA-N 1 0 339.439 3.002 40 0 EGABRO c1csc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)c1 ZINC000585105371 459825426 /nfs/dbraw/zinc/82/54/26/459825426.db2.gz VLHZDGIDFQBHBV-OAHLLOKOSA-N 1 0 339.526 3.251 40 0 EGABRO Cc1cccc(OC[C@@]2(O)COCC[N@@H+](C3CCCCCC3)C2)c1 ZINC000585276017 459832178 /nfs/dbraw/zinc/83/21/78/459832178.db2.gz LBJXFTZCJLAOLJ-FQEVSTJZSA-N 1 0 333.472 3.160 40 0 EGABRO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@@H+](C3CCCCC3)CC[C@@H]2O)c1 ZINC000585288225 459833797 /nfs/dbraw/zinc/83/37/97/459833797.db2.gz YTVSKXHZNSJYEF-SFTDATJTSA-N 1 0 347.499 3.121 40 0 EGABRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2ccc(C3CC3)cc2F)C1 ZINC000624099290 460859426 /nfs/dbraw/zinc/85/94/26/460859426.db2.gz KZEKEECCQAQNNC-AWEZNQCLSA-N 1 0 333.451 3.234 40 0 EGABRO C[NH+](C)CCCN1C[C@H](COc2ccccc2)O[C@H]1c1ccccc1 ZINC000248119951 524055947 /nfs/dbraw/zinc/05/59/47/524055947.db2.gz MUPODHJCHSNYDG-RTWAWAEBSA-N 1 0 340.467 3.417 40 0 biogenic EGABRO C[NH+](C)CCNC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000216250974 535889891 /nfs/dbraw/zinc/88/98/91/535889891.db2.gz AHYDRCLANBLLQH-UHFFFAOYSA-N 1 0 344.480 3.149 40 0 EGABRO CCc1ccc([C@@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218613507 547240766 /nfs/dbraw/zinc/24/07/66/547240766.db2.gz DZGNFKWOJLTSQU-BRWVUGGUSA-N 1 0 335.856 3.169 40 0 EGABRO CC[C@H](C)NC1=C2C=C([C@@H]3COc4ccccc4O3)S[C@H]2[NH+]=CN1 ZINC000225742347 1296137181 /nfs/dbraw/zinc/13/71/81/1296137181.db2.gz PPXWTWAXMMMNJH-NZRMSGFPSA-N 1 0 343.452 3.228 40 0 EGABRO CCOc1ccc(N2C(=O)C[C@@H]([NH2+][C@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000004648934 210236349 /nfs/dbraw/zinc/23/63/49/210236349.db2.gz UYNYFZVAQXLIGE-DFEHZGFQSA-N 1 0 344.455 3.132 40 0 EGABRO O=C1N[C@]2(C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)Nc2ccccc21 ZINC000100208127 219094429 /nfs/dbraw/zinc/09/44/29/219094429.db2.gz GCDQDEGRKPDDRC-LFUKPOHLSA-N 1 0 333.435 3.365 40 0 EGABRO COc1cccc(/C=C/C2=[N+](CCO)c3ccccc3C2(C)C)c1O ZINC000004423367 210190724 /nfs/dbraw/zinc/19/07/24/210190724.db2.gz SQLVYYUCCFIXPO-UHFFFAOYSA-O 1 0 338.427 3.483 40 0 EGABRO CCOC(=O)c1cccnc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000048314334 213918770 /nfs/dbraw/zinc/91/87/70/213918770.db2.gz KDXMJEMTMLVGCQ-HNNXBMFYSA-N 1 0 329.400 3.100 40 0 EGABRO COCc1cccc(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000040089283 213261716 /nfs/dbraw/zinc/26/17/16/213261716.db2.gz ACIIRWOSEKFXCO-LJQANCHMSA-N 1 0 332.488 3.319 40 0 EGABRO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038832951 213226582 /nfs/dbraw/zinc/22/65/82/213226582.db2.gz MNWQSRWGKHYJHJ-LJQANCHMSA-N 1 0 340.442 3.397 40 0 EGABRO Cc1onc(-c2ccccc2)c1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000036075219 213059061 /nfs/dbraw/zinc/05/90/61/213059061.db2.gz AWQRKQMQWQPPRX-UHFFFAOYSA-N 1 0 329.444 3.499 40 0 EGABRO CCc1ccc([C@@H](CNC(=O)/C=C/c2csc(C)n2)[NH+](C)C)cc1 ZINC000032734224 212831119 /nfs/dbraw/zinc/83/11/19/212831119.db2.gz SIXRNEHYXWRACB-DOJUMQAQSA-N 1 0 343.496 3.446 40 0 EGABRO COc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000072389918 216189539 /nfs/dbraw/zinc/18/95/39/216189539.db2.gz KPBUCCPPRRGKAB-MRXNPFEDSA-N 1 0 336.395 3.130 40 0 EGABRO CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CC[NH2+]CC1 ZINC000072394519 216192621 /nfs/dbraw/zinc/19/26/21/216192621.db2.gz TYTPAYKKDQSHTL-UHFFFAOYSA-N 1 0 328.412 3.125 40 0 EGABRO C[NH+](C)C[C@H]1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2)C1 ZINC000129778553 223090778 /nfs/dbraw/zinc/09/07/78/223090778.db2.gz JYFRJYLLCFVBIL-CQSZACIVSA-N 1 0 337.895 3.211 40 0 EGABRO Cc1ccccc1OCC(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127977 212352778 /nfs/dbraw/zinc/35/27/78/212352778.db2.gz XHAXTRQFEOOYNX-UHFFFAOYSA-N 1 0 330.472 3.145 40 0 EGABRO Cc1ccc(CCN(Cc2ccco2)C(=O)C2CC[NH2+]CC2)cc1 ZINC000195554287 241000904 /nfs/dbraw/zinc/00/09/04/241000904.db2.gz PHMROSRMUOGDEC-UHFFFAOYSA-N 1 0 326.440 3.159 40 0 EGABRO FC(F)(F)CCN1CCC([NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000195556421 241003536 /nfs/dbraw/zinc/00/35/36/241003536.db2.gz PXTGGRLJMGLORH-MRXNPFEDSA-N 1 0 341.421 3.272 40 0 EGABRO C[N@H+]1C[C@H](c2cccs2)[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000227150485 242120918 /nfs/dbraw/zinc/12/09/18/242120918.db2.gz FVTHARXFFOEOLI-WFASDCNBSA-N 1 0 333.432 3.354 40 0 EGABRO Cc1[nH+]cc2cc(C3(C)CCN(Cc4cscn4)CC3)nc(C)n21 ZINC000257201107 244122595 /nfs/dbraw/zinc/12/25/95/244122595.db2.gz AGIDJZKFFWWHNK-UHFFFAOYSA-N 1 0 341.484 3.356 40 0 EGABRO c1cnc2ccc(C[N@@H+]3CCC4(CC(Nc5ccncn5)C4)C3)cc2c1 ZINC000257203048 244124899 /nfs/dbraw/zinc/12/48/99/244124899.db2.gz AOLBJAWMXCAHGZ-UHFFFAOYSA-N 1 0 345.450 3.491 40 0 EGABRO Cc1nc([C@H]2CCC[NH2+]C2)nc2c1CCCN2CCc1ccccc1 ZINC000257249981 244266445 /nfs/dbraw/zinc/26/64/45/244266445.db2.gz JKMVRRWJNRWOLH-SFHVURJKSA-N 1 0 336.483 3.247 40 0 EGABRO C[C@]12C[C@@H](c3ccccc3)[N@H+](Cc3ccccn3)[C@H]1CCCC(=O)N2 ZINC000257267024 244362874 /nfs/dbraw/zinc/36/28/74/244362874.db2.gz MFQOIHPTKWSSLH-ZJOUEHCJSA-N 1 0 335.451 3.456 40 0 EGABRO Cc1cnc([C@H]2CCCN(C(=O)CC[NH+]3CCCCCC3)C2)s1 ZINC000257269292 244369022 /nfs/dbraw/zinc/36/90/22/244369022.db2.gz MPJDOHZYMNPANV-INIZCTEOSA-N 1 0 335.517 3.424 40 0 EGABRO Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C[NH+](C)C)C3)n2)c1 ZINC000257261639 244349718 /nfs/dbraw/zinc/34/97/18/244349718.db2.gz LIFLXSGPCCNOAL-GOSISDBHSA-N 1 0 337.467 3.325 40 0 EGABRO CCn1nccc1-c1cc(C)nc(CC2CC[NH+](C(C)C)CC2)n1 ZINC000257275576 244391217 /nfs/dbraw/zinc/39/12/17/244391217.db2.gz NPXXQSIJQVKBTC-UHFFFAOYSA-N 1 0 327.476 3.331 40 0 EGABRO C[NH+](C)CCCN(Cc1ccco1)Cc1ccnn1[C@H]1CCCCO1 ZINC000019582229 212046569 /nfs/dbraw/zinc/04/65/69/212046569.db2.gz DAIQPRUHJKSSOR-LJQANCHMSA-N 1 0 346.475 3.129 40 0 EGABRO COc1ccc2c(c1)c(C)c(C(=O)N1CCCC[C@@H]1C[NH+](C)C)n2C ZINC000019565561 212043946 /nfs/dbraw/zinc/04/39/46/212043946.db2.gz GDFRYMKSDFOSGW-OAHLLOKOSA-N 1 0 343.471 3.052 40 0 EGABRO COc1ccc(OC)c(C[NH2+][C@@H]2COC[C@H]2c2ccc(F)cc2)c1 ZINC000019551721 212040727 /nfs/dbraw/zinc/04/07/27/212040727.db2.gz BBLHLVCBUHMRES-ZWKOTPCHSA-N 1 0 331.387 3.115 40 0 EGABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccc(O)c1)Cc1ccccn1 ZINC000019527137 212038526 /nfs/dbraw/zinc/03/85/26/212038526.db2.gz WVXJNUTXIMZSQV-LJQANCHMSA-N 1 0 325.456 3.274 40 0 EGABRO CCC[N@@H+]1C[C@H](NC(=O)c2cccs2)[C@@H](c2ccc(OC)cc2)C1 ZINC000019503507 212035626 /nfs/dbraw/zinc/03/56/26/212035626.db2.gz LOQCKKOGWACVOQ-SJORKVTESA-N 1 0 344.480 3.365 40 0 EGABRO Cn1nc([C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)c2nccnc21 ZINC000019289370 212011944 /nfs/dbraw/zinc/01/19/44/212011944.db2.gz JLSLFPAUNXZFSY-CYBMUJFWSA-N 1 0 343.381 3.021 40 0 EGABRO Cc1nc(C[NH+]2CCC(c3cc4nccnc4[nH]3)CC2)c2ccccn12 ZINC000019240712 212008509 /nfs/dbraw/zinc/00/85/09/212008509.db2.gz QUIYIMIBSFOTCW-UHFFFAOYSA-N 1 0 346.438 3.294 40 0 EGABRO COc1ccccc1C(C)(C)[NH2+]CC(=O)Nc1cccnc1Cl ZINC000078440878 217052923 /nfs/dbraw/zinc/05/29/23/217052923.db2.gz UBDFFICKNCMPPX-UHFFFAOYSA-N 1 0 333.819 3.207 40 0 EGABRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000078578681 217079687 /nfs/dbraw/zinc/07/96/87/217079687.db2.gz YWFIKKJULSREIJ-UHFFFAOYSA-N 1 0 342.414 3.229 40 0 EGABRO Cc1occc1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000079096173 217191660 /nfs/dbraw/zinc/19/16/60/217191660.db2.gz NIFRLIMTANQQDW-OAHLLOKOSA-N 1 0 342.439 3.218 40 0 EGABRO COc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000012292165 211334771 /nfs/dbraw/zinc/33/47/71/211334771.db2.gz HELWVCQFFKFPRP-LJQANCHMSA-N 1 0 341.451 3.021 40 0 EGABRO Clc1ccc(C[NH+]2CCC(c3[nH]nc4nccnc43)CC2)cc1 ZINC000012228311 211325205 /nfs/dbraw/zinc/32/52/05/211325205.db2.gz XKNOMVGWUPIEBR-UHFFFAOYSA-N 1 0 327.819 3.386 40 0 EGABRO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000091595378 218029311 /nfs/dbraw/zinc/02/93/11/218029311.db2.gz KZPDDSIJNYBFES-INIZCTEOSA-N 1 0 347.507 3.138 40 0 EGABRO COc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1OC(F)F ZINC000092810859 218170727 /nfs/dbraw/zinc/17/07/27/218170727.db2.gz WAURFJFMUWUGKC-UHFFFAOYSA-N 1 0 337.370 3.399 40 0 EGABRO CC[NH2+]CC1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 ZINC000096467549 218847791 /nfs/dbraw/zinc/84/77/91/218847791.db2.gz LVZCOOCOKSCFTR-UHFFFAOYSA-N 1 0 332.341 3.306 40 0 EGABRO Cc1cc2c(cc1C)[n+](C[C@H](O)COc1ccccc1Cl)cn2C ZINC000005015203 210362097 /nfs/dbraw/zinc/36/20/97/210362097.db2.gz DGVQZLLAYVCQBX-HNNXBMFYSA-N 1 0 345.850 3.176 40 0 EGABRO CCN(CC)C(=O)[C@@H](c1ccccc1)[C@]1(O)CCCC[C@@H]1C[NH+](C)C ZINC000004783500 210277296 /nfs/dbraw/zinc/27/72/96/210277296.db2.gz ORSHIJVHWYGHBF-SBHAEUEKSA-N 1 0 346.515 3.122 40 0 EGABRO Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)C[NH+](C)C)n2)cc1 ZINC000072358171 292111304 /nfs/dbraw/zinc/11/13/04/292111304.db2.gz XVTAPOMJDYDSND-HXUWFJFHSA-N 1 0 337.467 3.206 40 0 EGABRO COc1ccc(CN2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)c(F)c1 ZINC000257257824 286305152 /nfs/dbraw/zinc/30/51/52/286305152.db2.gz KRFMMALJUZQGEV-GOSISDBHSA-N 1 0 344.434 3.023 40 0 EGABRO COc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2C(F)(F)F)cc1F ZINC000096490812 286355441 /nfs/dbraw/zinc/35/54/41/286355441.db2.gz VASDNWAZYWWHGX-SECBINFHSA-N 1 0 331.313 3.437 40 0 EGABRO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)C2)cn1 ZINC000249288948 274892817 /nfs/dbraw/zinc/89/28/17/274892817.db2.gz QHHUIRCEHHVTAV-MCIONIFRSA-N 1 0 330.398 3.100 40 0 EGABRO O=C(c1ccncc1)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096156944 275014598 /nfs/dbraw/zinc/01/45/98/275014598.db2.gz GTEYGDPPTGJKHE-UHFFFAOYSA-N 1 0 327.815 3.017 40 0 EGABRO Cc1c2ccccc2oc1[C@@H]([NH2+]CC(=O)NC1CCOCC1)C(C)C ZINC000183271014 280274484 /nfs/dbraw/zinc/27/44/84/280274484.db2.gz VVJGBPJZQGNLKV-IBGZPJMESA-N 1 0 344.455 3.323 40 0 EGABRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000252586064 288567141 /nfs/dbraw/zinc/56/71/41/288567141.db2.gz NETXXHHUUXVYHZ-YIDVYQOGSA-N 1 0 326.481 3.368 40 0 EGABRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCCC(=O)N3)n1 ZINC000019236371 302028286 /nfs/dbraw/zinc/02/82/86/302028286.db2.gz SBKGYAZTPJJQNS-GHTZIAJQSA-N 1 0 335.451 3.028 40 0 EGABRO Cn1ccnc1[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000180642123 303004295 /nfs/dbraw/zinc/00/42/95/303004295.db2.gz FNSNBNVMNHCBNB-WMLDXEAASA-N 1 0 332.879 3.094 40 0 EGABRO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(Br)cc1F ZINC000127752218 323218756 /nfs/dbraw/zinc/21/87/56/323218756.db2.gz JNKJSUISNNGKRS-ABAIWWIYSA-N 1 0 346.240 3.028 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@H](c1ccccc1)[C@@H](O)C1CCCC1 ZINC000001593593 452669367 /nfs/dbraw/zinc/66/93/67/452669367.db2.gz ZMMPWOWHQKYBOW-MOPGFXCFSA-N 1 0 333.472 3.206 40 0 EGABRO CCOC(=O)c1ccc(-c2ccc(CNCCC[NH+](C)C)o2)cc1 ZINC000008253094 453182828 /nfs/dbraw/zinc/18/28/28/453182828.db2.gz FIPQPSPSBUKLKP-UHFFFAOYSA-N 1 0 330.428 3.165 40 0 EGABRO O[C@@H](C[N@@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000012251837 453352792 /nfs/dbraw/zinc/35/27/92/453352792.db2.gz FEYIPQUQFKKAGF-PMACEKPBSA-N 1 0 347.405 3.372 40 0 EGABRO CC(C)[NH+](CCNC(=O)COc1cccc2ccccc21)C(C)C ZINC000013010795 453437710 /nfs/dbraw/zinc/43/77/10/453437710.db2.gz ZRBTXWXBJVUGQK-UHFFFAOYSA-N 1 0 328.456 3.454 40 0 EGABRO C[C@H]1C[C@@](O)(CC(O)(c2ccccc2)c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000013122907 453446302 /nfs/dbraw/zinc/44/63/02/453446302.db2.gz RICXMDIFJNHTOE-BBTUJRGHSA-N 1 0 339.479 3.404 40 0 EGABRO C[NH+](C)CCCN(Cc1c[nH]nc1C(C)(C)C)Cc1ccccn1 ZINC000019083467 453653583 /nfs/dbraw/zinc/65/35/83/453653583.db2.gz HFMBDMAYQHTARJ-UHFFFAOYSA-N 1 0 329.492 3.056 40 0 EGABRO Cc1cc2nc(C3CC[NH+](Cc4cccs4)CC3)cc(N)n2n1 ZINC000019129431 453654346 /nfs/dbraw/zinc/65/43/46/453654346.db2.gz AEMSPCKFDXHPQS-UHFFFAOYSA-N 1 0 327.457 3.061 40 0 EGABRO CC(C)C[C@@H]([C@@H](O)CO)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000026897052 453807516 /nfs/dbraw/zinc/80/75/16/453807516.db2.gz GVDYINZRNZQJFW-SFTDATJTSA-N 1 0 327.468 3.457 40 0 EGABRO Cc1ccccc1N1CC[NH+](C[C@H](O)CSc2ccccc2)CC1 ZINC000031938433 453858641 /nfs/dbraw/zinc/85/86/41/453858641.db2.gz AWQRVDXIHPAUQH-SFHVURJKSA-N 1 0 342.508 3.270 40 0 EGABRO Cc1ccccc1OCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462166 453874216 /nfs/dbraw/zinc/87/42/16/453874216.db2.gz PZZDGGVTCHHPAH-UHFFFAOYSA-N 1 0 338.451 3.286 40 0 EGABRO CC[NH+]1CCN(c2ccccc2NC(=O)c2sccc2C)CC1 ZINC000032678890 453883566 /nfs/dbraw/zinc/88/35/66/453883566.db2.gz KXEVTFNRNZUPSW-UHFFFAOYSA-N 1 0 329.469 3.451 40 0 EGABRO Cc1cc(N[C@@H](C)c2cnccn2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190795521 455384496 /nfs/dbraw/zinc/38/44/96/455384496.db2.gz ASXWAOFUIYZMLT-KRWDZBQOSA-N 1 0 339.487 3.489 40 0 EGABRO CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cc(F)ccc1F ZINC000077873298 454164715 /nfs/dbraw/zinc/16/47/15/454164715.db2.gz XESIRCUUUJEKJY-PBHICJAKSA-N 1 0 337.414 3.296 40 0 EGABRO Cc1nn(C)c2ncc(NC3CC[NH+](CCC(F)(F)F)CC3)cc12 ZINC000119961588 454241233 /nfs/dbraw/zinc/24/12/33/454241233.db2.gz JBRIPSFTGZHIFL-UHFFFAOYSA-N 1 0 341.381 3.105 40 0 EGABRO c1ccc(CC[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC000096041735 454266852 /nfs/dbraw/zinc/26/68/52/454266852.db2.gz WMOPEWHJQIXUGM-PWRODBHTSA-N 1 0 338.451 3.073 40 0 EGABRO Cc1ncsc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039918 454267019 /nfs/dbraw/zinc/26/70/19/454267019.db2.gz SEWYPOTXDYBQCO-QZTJIDSGSA-N 1 0 336.501 3.249 40 0 EGABRO CC(C)(C)OC(=O)N1CCN(c2ncccc2C2=[NH+]CCCC2)CC1 ZINC000072216473 454274083 /nfs/dbraw/zinc/27/40/83/454274083.db2.gz WHHLCSBKINROQH-UHFFFAOYSA-N 1 0 344.459 3.112 40 0 EGABRO Cc1nc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2cnn(C)c2)C3)cs1 ZINC000096109268 454286311 /nfs/dbraw/zinc/28/63/11/454286311.db2.gz LVXOAOXRPSUISR-AEFFLSMTSA-N 1 0 346.500 3.004 40 0 EGABRO O=C(C1CC=CC1)N1CCC2(CC1)CC[NH+](Cc1ccccn1)CC2 ZINC000096158390 454295871 /nfs/dbraw/zinc/29/58/71/454295871.db2.gz HSOWIRKDEAFDPV-UHFFFAOYSA-N 1 0 339.483 3.252 40 0 EGABRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2ccncc2)[C@H]1Cc1ccccc1 ZINC000096200806 454302129 /nfs/dbraw/zinc/30/21/29/454302129.db2.gz WXRBZKZVRMFSCJ-UXHICEINSA-N 1 0 337.467 3.248 40 0 EGABRO CN1C(=O)C[C@H](c2ccncc2)C12CC[NH+](Cc1ccsc1)CC2 ZINC000096199977 454303108 /nfs/dbraw/zinc/30/31/08/454303108.db2.gz KAIAHKORFWXIJB-QGZVFWFLSA-N 1 0 341.480 3.124 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccccn2)C[C@]12CCN(c1ccccn1)C2 ZINC000096239609 454310200 /nfs/dbraw/zinc/31/02/00/454310200.db2.gz KAHDZXUOMSPHTH-SFHVURJKSA-N 1 0 344.409 3.214 40 0 EGABRO Fc1ccccc1C[NH2+]C[C@H]1Cn2c(-c3ccccc3)cnc2CO1 ZINC000096269365 454314960 /nfs/dbraw/zinc/31/49/60/454314960.db2.gz DLLWHIPPZRGLMD-KRWDZBQOSA-N 1 0 337.398 3.378 40 0 biogenic,in-vitro EGABRO Cn1c(C[NH2+]Cc2ccc(Cn3ccnc3)cc2)nc2ccccc21 ZINC000096403665 454322831 /nfs/dbraw/zinc/32/28/31/454322831.db2.gz DGWRJTCHHFNNMQ-UHFFFAOYSA-N 1 0 331.423 3.108 40 0 EGABRO CSc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)o1 ZINC000096405661 454323716 /nfs/dbraw/zinc/32/37/16/454323716.db2.gz IXDDVYVILFKBEZ-UHFFFAOYSA-N 1 0 345.468 3.314 40 0 EGABRO CSC[C@H](C)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000096413978 454330709 /nfs/dbraw/zinc/33/07/09/454330709.db2.gz AGNZWNBUPWHOOL-HNNXBMFYSA-N 1 0 349.544 3.402 40 0 EGABRO Cc1ccc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)n1C ZINC000096435892 454347427 /nfs/dbraw/zinc/34/74/27/454347427.db2.gz HGYROHKEPQOFGQ-UHFFFAOYSA-N 1 0 325.412 3.071 40 0 EGABRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000096436553 454347707 /nfs/dbraw/zinc/34/77/07/454347707.db2.gz RPXUZUFZRYETKU-QUCCMNQESA-N 1 0 334.504 3.129 40 0 EGABRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCN(C(C)C)C2=O)cc1OC ZINC000096449372 454355183 /nfs/dbraw/zinc/35/51/83/454355183.db2.gz JEVSAHRPPAVZMP-GOEBONIOSA-N 1 0 334.460 3.062 40 0 EGABRO CC[C@@](O)(C[NH2+]Cc1ccncc1)c1ccc(Br)cc1 ZINC000096473211 454362020 /nfs/dbraw/zinc/36/20/20/454362020.db2.gz MCQSXNUEOMAOBJ-MRXNPFEDSA-N 1 0 335.245 3.232 40 0 EGABRO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c(N(C)C)c1 ZINC000096479191 454363759 /nfs/dbraw/zinc/36/37/59/454363759.db2.gz KISFNSIQAOFLPS-OAHLLOKOSA-N 1 0 346.496 3.315 40 0 EGABRO C[C@H]([NH2+]Cc1ccnc(N2CCO[C@H](C)C2)c1)c1cccc(F)c1 ZINC000096479020 454364316 /nfs/dbraw/zinc/36/43/16/454364316.db2.gz WAWFYCZEFQWQGU-CABCVRRESA-N 1 0 329.419 3.297 40 0 EGABRO CC[NH2+]Cc1ccccc1NC(=O)c1ccn(-c2ccccc2F)n1 ZINC000096482512 454365062 /nfs/dbraw/zinc/36/50/62/454365062.db2.gz NTCKXNSJDOJCAQ-UHFFFAOYSA-N 1 0 338.386 3.373 40 0 EGABRO O[C@@H](C[C@H]1CCCCC[N@@H+]1CCC1OCCO1)c1cccs1 ZINC000097094916 454404937 /nfs/dbraw/zinc/40/49/37/454404937.db2.gz RSJQWERZEXESLK-CABCVRRESA-N 1 0 325.474 3.179 40 0 EGABRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000097095674 454405653 /nfs/dbraw/zinc/40/56/53/454405653.db2.gz ZYKJWEFSYHANEP-FVQBIDKESA-N 1 0 348.491 3.035 40 0 EGABRO CS(=O)(=O)CC1(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000097373016 454434129 /nfs/dbraw/zinc/43/41/29/454434129.db2.gz DDOFBBGNLXADGS-UHFFFAOYSA-N 1 0 327.877 3.000 40 0 EGABRO COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)cc1C ZINC000091555622 454446391 /nfs/dbraw/zinc/44/63/91/454446391.db2.gz RHMDAVBACKNSHU-GXTWGEPZSA-N 1 0 347.415 3.082 40 0 EGABRO CCOc1ccc(C(=O)N2CC[NH+]=Cc3cc(N)ccc32)cc1Cl ZINC000073642389 454463661 /nfs/dbraw/zinc/46/36/61/454463661.db2.gz PEFQETPUFVFQLH-UHFFFAOYSA-N 1 0 343.814 3.400 40 0 EGABRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000065739633 454616682 /nfs/dbraw/zinc/61/66/82/454616682.db2.gz QAQIPFPQZRXDMA-YJBOKZPZSA-N 1 0 341.407 3.196 40 0 in-vitro EGABRO O=C(CC[NH+]1CCC(Cn2cccn2)CC1)Nc1ccccc1Cl ZINC000105920121 454668516 /nfs/dbraw/zinc/66/85/16/454668516.db2.gz JPXVZDLOHZODBB-UHFFFAOYSA-N 1 0 346.862 3.277 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)s1 ZINC000107785614 454773365 /nfs/dbraw/zinc/77/33/65/454773365.db2.gz LTLFTHGJBMNQKT-AEFFLSMTSA-N 1 0 330.453 3.264 40 0 EGABRO C[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000110706930 454852263 /nfs/dbraw/zinc/85/22/63/454852263.db2.gz POCLFSSXHASQBC-LMMKCTJWSA-N 1 0 330.472 3.002 40 0 EGABRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cc(F)ccc2N2CCCCC2)C1 ZINC000127015867 454932830 /nfs/dbraw/zinc/93/28/30/454932830.db2.gz UANPPQJSCQFCLV-HNNXBMFYSA-N 1 0 348.466 3.231 40 0 EGABRO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)[C@H]1CCSC1 ZINC000245339138 455282502 /nfs/dbraw/zinc/28/25/02/455282502.db2.gz QTJAYFVBAJEUDB-BBRMVZONSA-N 1 0 340.439 3.066 40 0 EGABRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000191109327 455444663 /nfs/dbraw/zinc/44/46/63/455444663.db2.gz KVFNNYDURKLOKJ-BFHYXJOUSA-N 1 0 330.436 3.134 40 0 EGABRO Fc1cccnc1OCC[C@H]1CCOC12CC[NH+](C1CCC1)CC2 ZINC000247517546 455616503 /nfs/dbraw/zinc/61/65/03/455616503.db2.gz KIUCJVZNZKSEGP-HNNXBMFYSA-N 1 0 334.435 3.413 40 0 EGABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccsc3)C[C@@H]12 ZINC000248161855 455690866 /nfs/dbraw/zinc/69/08/66/455690866.db2.gz XYEYHYGWKWWJAF-IEBWSBKVSA-N 1 0 326.465 3.236 40 0 EGABRO CC(C)COCC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000252511075 455818384 /nfs/dbraw/zinc/81/83/84/455818384.db2.gz ZTEJLBHVLTZROH-UHFFFAOYSA-N 1 0 339.867 3.058 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)n1 ZINC000257314313 455888604 /nfs/dbraw/zinc/88/86/04/455888604.db2.gz UWJRVUBUMXPENO-INIZCTEOSA-N 1 0 348.454 3.025 40 0 EGABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257321223 455890343 /nfs/dbraw/zinc/89/03/43/455890343.db2.gz WAQUDGGUQYHLCM-GOSISDBHSA-N 1 0 331.423 3.232 40 0 EGABRO CCCN(C(=O)Cc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000195543738 455982242 /nfs/dbraw/zinc/98/22/42/455982242.db2.gz ZWMAABGTEUMQAT-UHFFFAOYSA-N 1 0 328.378 3.239 40 0 EGABRO [NH3+][C@@H](CC(=O)N(Cc1cccc(Br)c1)C1CC1)C1CC1 ZINC000195559524 455984646 /nfs/dbraw/zinc/98/46/46/455984646.db2.gz QMFQQSIPMHUOKD-HNNXBMFYSA-N 1 0 337.261 3.068 40 0 EGABRO COc1ccc([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cc1C ZINC000195558096 455985001 /nfs/dbraw/zinc/98/50/01/455985001.db2.gz ZARGDHWMRRMLIS-HNNXBMFYSA-N 1 0 326.444 3.113 40 0 EGABRO CCOC(=O)[C@H](CN)[C@@]1([NH+]2CCCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216352112 456029681 /nfs/dbraw/zinc/02/96/81/456029681.db2.gz YDFIKGOBEHXAQA-FVCZOJIISA-N 1 0 336.520 3.195 40 0 EGABRO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1Cl ZINC000225567945 456093684 /nfs/dbraw/zinc/09/36/84/456093684.db2.gz FUTLMFGMNPWHEW-CQSZACIVSA-N 1 0 338.904 3.287 40 0 EGABRO CO[C@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[C@@H](C)C1 ZINC000225634795 456100142 /nfs/dbraw/zinc/10/01/42/456100142.db2.gz OVNZGYXIATZWIR-DNVCBOLYSA-N 1 0 334.460 3.161 40 0 EGABRO CCOC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225647262 456100291 /nfs/dbraw/zinc/10/02/91/456100291.db2.gz XNBCBRZUCDYZBW-UHFFFAOYSA-N 1 0 334.460 3.305 40 0 EGABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225688338 456104367 /nfs/dbraw/zinc/10/43/67/456104367.db2.gz WRBCMMNWHSVATG-IBGZPJMESA-N 1 0 336.476 3.407 40 0 EGABRO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@H+](C)C3)nn2c1 ZINC000306139416 456568050 /nfs/dbraw/zinc/56/80/50/456568050.db2.gz SWSWCXVAGLJNLB-AWEZNQCLSA-N 1 0 340.402 3.353 40 0 EGABRO COc1ccc(OC)c(C(=O)N2CCC[C@]3(CC[N@@H+]3CC(C)C)C2)c1 ZINC000585101796 459823415 /nfs/dbraw/zinc/82/34/15/459823415.db2.gz HBUMAJDEKHPLGZ-FQEVSTJZSA-N 1 0 346.471 3.040 40 0 EGABRO CCCC[N@@H+]1CCOC[C@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585104175 459823920 /nfs/dbraw/zinc/82/39/20/459823920.db2.gz KARFDFLZSABCRA-YLJYHZDGSA-N 1 0 330.472 3.099 40 0 EGABRO COc1ccccc1C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000585141362 459830074 /nfs/dbraw/zinc/83/00/74/459830074.db2.gz UNCIYNDMNRQTJD-ZDUSSCGKSA-N 1 0 344.402 3.333 40 0 EGABRO Cn1cc(CCC(=O)N2CCCCC[C@H]3[NH2+]CC[C@@H]32)c2ccccc21 ZINC000585260819 459831552 /nfs/dbraw/zinc/83/15/52/459831552.db2.gz MRHKWGYEIUISSR-QUCCMNQESA-N 1 0 339.483 3.244 40 0 EGABRO CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C)n2)[C@H]1Cc1ccccc1 ZINC000585268805 459832814 /nfs/dbraw/zinc/83/28/14/459832814.db2.gz AAIUVGWCBINZNC-SFTDATJTSA-N 1 0 337.467 3.102 40 0 EGABRO CC(C)[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)cc1F ZINC000182080103 528580264 /nfs/dbraw/zinc/58/02/64/528580264.db2.gz QOGJPJXYVAVTIF-OAHLLOKOSA-N 1 0 327.831 3.309 40 0 EGABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCC1CC[NH+](C)CC1 ZINC000176234979 529248941 /nfs/dbraw/zinc/24/89/41/529248941.db2.gz OEICGJRCUUQOEU-MRXNPFEDSA-N 1 0 338.879 3.346 40 0 EGABRO c1cc(-c2noc(CC3CC[NH+](C4CCC4)CC3)n2)cc2c1OCO2 ZINC000205262317 1296092787 /nfs/dbraw/zinc/09/27/87/1296092787.db2.gz ATGQONNRRWKPGJ-UHFFFAOYSA-N 1 0 341.411 3.272 40 0 EGABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1nncc2ccccc21 ZINC000929431589 1328596620 /nfs/dbraw/zinc/59/66/20/1328596620.db2.gz DCBPYTSKQKBDJS-UHFFFAOYSA-N 1 0 346.434 3.156 40 0 EGABRO C/C1=C\CC/C(C)=C/[C@@H](O)[C@H]2[C@@H](C[NH+]3CCCCC3)C(=O)O[C@H]2C1 ZINC000100742509 219105040 /nfs/dbraw/zinc/10/50/40/219105040.db2.gz PBRLWNMMGXHHMD-FMUVSAPYSA-N 1 0 333.472 3.068 40 0 EGABRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cccs3)cc2)C[C@H](C)O1 ZINC000040087474 213259990 /nfs/dbraw/zinc/25/99/90/213259990.db2.gz SLTRMEYALJIQTC-GJZGRUSLSA-N 1 0 344.480 3.287 40 0 EGABRO CCCC[N@H+](CC)CC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000040067006 213256118 /nfs/dbraw/zinc/25/61/18/213256118.db2.gz MZSZQDKYRZZFRJ-UHFFFAOYSA-N 1 0 326.824 3.172 40 0 EGABRO CC1CC[NH+](CCCNC(=O)c2ccccc2OC(F)F)CC1 ZINC000040047690 213254157 /nfs/dbraw/zinc/25/41/57/213254157.db2.gz KWOLAPFZXWJTQU-UHFFFAOYSA-N 1 0 326.387 3.140 40 0 EGABRO Cc1ncccc1Oc1cncc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072384253 216185168 /nfs/dbraw/zinc/18/51/68/216185168.db2.gz DBINZHSLNFJLJU-KRWDZBQOSA-N 1 0 340.427 3.288 40 0 EGABRO C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)cn3nnnc23)C1 ZINC000072392332 216190695 /nfs/dbraw/zinc/19/06/95/216190695.db2.gz FIHYSXHRGAYYAZ-ZDUSSCGKSA-N 1 0 325.391 3.162 40 0 EGABRO COc1cccc(C[NH2+]Cc2cc(-c3ccccc3)cn3nnnc23)c1 ZINC000072392319 216191368 /nfs/dbraw/zinc/19/13/68/216191368.db2.gz VLOKACINWGWUFS-UHFFFAOYSA-N 1 0 345.406 3.090 40 0 EGABRO CCOC(=O)[C@]1(Cc2cc(-c3cccc(C)c3)no2)CCC[NH2+]C1 ZINC000072394515 216192816 /nfs/dbraw/zinc/19/28/16/216192816.db2.gz ZQHHANXGKBZVHR-IBGZPJMESA-N 1 0 328.412 3.125 40 0 EGABRO C[C@@H]([NH2+]Cc1ccnc(N)c1)c1cccc(OCc2ccccn2)c1 ZINC000193479959 240182147 /nfs/dbraw/zinc/18/21/47/240182147.db2.gz NNGRJRCLODEDJQ-OAHLLOKOSA-N 1 0 334.423 3.489 40 0 EGABRO CC(=O)Nc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000022095720 212276356 /nfs/dbraw/zinc/27/63/56/212276356.db2.gz FZOHUOJMVCQXKD-SFHVURJKSA-N 1 0 327.428 3.165 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2ccsc2)CC1 ZINC000195558521 241007999 /nfs/dbraw/zinc/00/79/99/241007999.db2.gz NWLYDLXVKBFJLS-CABCVRRESA-N 1 0 340.489 3.161 40 0 EGABRO C[C@@H](C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)c1ccccc1 ZINC000195567701 241014130 /nfs/dbraw/zinc/01/41/30/241014130.db2.gz SJNVRQJTMWQQOE-QGZVFWFLSA-N 1 0 344.499 3.066 40 0 EGABRO Cc1cccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000225744327 242014809 /nfs/dbraw/zinc/01/48/09/242014809.db2.gz QCFHAJVSEDSXOU-UHFFFAOYSA-N 1 0 340.496 3.125 40 0 EGABRO C[C@@H]1C[N@H+](Cc2cccs2)CC[C@@]12CC[C@@H](C(=O)N1CCCC1)O2 ZINC000253604167 244037785 /nfs/dbraw/zinc/03/77/85/244037785.db2.gz VLRRGWVMGZTWDZ-AYBZRNKSSA-N 1 0 348.512 3.130 40 0 EGABRO Clc1ccc(C[N@@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)nc1 ZINC000257230513 244209827 /nfs/dbraw/zinc/20/98/27/244209827.db2.gz GCRCJIFDRXRFAK-ZDUSSCGKSA-N 1 0 327.819 3.386 40 0 EGABRO Cn1cc(CCC(=O)N2CCCC[C@@H]3[C@H]2CC[N@@H+]3C)c2ccccc21 ZINC000257230773 244212079 /nfs/dbraw/zinc/21/20/79/244212079.db2.gz GDWDIMGWIYEXHT-WOJBJXKFSA-N 1 0 339.483 3.196 40 0 EGABRO COCC[N@@H+]1CCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000257247842 244261063 /nfs/dbraw/zinc/26/10/63/244261063.db2.gz JAUUQIVLCQNDFI-HNNXBMFYSA-N 1 0 332.835 3.163 40 0 EGABRO Cc1nn(C)c2nc([C@H]3CCC[N@H+](Cc4ncccc4F)C3)ccc12 ZINC000257257136 244285391 /nfs/dbraw/zinc/28/53/91/244285391.db2.gz KOFGDWKVLZPAEL-AWEZNQCLSA-N 1 0 339.418 3.190 40 0 EGABRO Cc1nc([C@@H]2CCC[N@H+]2C)cc(N2CC3(CCCCC3)OC2=O)n1 ZINC000257268957 244370463 /nfs/dbraw/zinc/37/04/63/244370463.db2.gz MNYCGTLLQGJNGX-HNNXBMFYSA-N 1 0 330.432 3.211 40 0 EGABRO O=C(CC(F)(F)F)N1CCC[C@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257263518 244352071 /nfs/dbraw/zinc/35/20/71/244352071.db2.gz LQHJHYQEGAAIIO-HNNXBMFYSA-N 1 0 341.377 3.293 40 0 EGABRO CNc1cc(C)[nH+]c([C@H]2CC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)c1 ZINC000257263626 244355574 /nfs/dbraw/zinc/35/55/74/244355574.db2.gz LQUPOFMJLOXSFC-INIZCTEOSA-N 1 0 325.412 3.119 40 0 EGABRO CN(C)c1ncccc1C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019719786 212057291 /nfs/dbraw/zinc/05/72/91/212057291.db2.gz JWWTVFSZZVAWLY-INIZCTEOSA-N 1 0 349.482 3.479 40 0 EGABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc(Oc2ccccc2)c1 ZINC000019575288 212045993 /nfs/dbraw/zinc/04/59/93/212045993.db2.gz LJDBOVSRUAMIBV-BHIYHBOVSA-N 1 0 338.451 3.118 40 0 EGABRO CC[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019500613 212033214 /nfs/dbraw/zinc/03/32/14/212033214.db2.gz ZRSBGCKVXBWYKF-GOSISDBHSA-N 1 0 346.523 3.190 40 0 EGABRO COc1cc(C[NH+]2CCC(c3nnc(C)s3)CC2)cc(OC)c1 ZINC000049365514 214002452 /nfs/dbraw/zinc/00/24/52/214002452.db2.gz GIARDLZJVAQWQD-UHFFFAOYSA-N 1 0 333.457 3.243 40 0 EGABRO Cn1nc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)c2nccnc21 ZINC000019289375 212011330 /nfs/dbraw/zinc/01/13/30/212011330.db2.gz JLPKGHKCPKLURG-GFCCVEGCSA-N 1 0 343.381 3.021 40 0 EGABRO COc1cc(C[NH2+][C@H]2CCN(c3ccccc3)C2)cc(OC)c1OC ZINC000078604215 217085612 /nfs/dbraw/zinc/08/56/12/217085612.db2.gz OBVGDZXQRVVOQW-INIZCTEOSA-N 1 0 342.439 3.081 40 0 EGABRO C[C@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1csc(C2CC2)n1 ZINC000079036666 217178790 /nfs/dbraw/zinc/17/87/90/217178790.db2.gz GKKJBRLQXQNTRE-LBPRGKRZSA-N 1 0 336.505 3.065 40 0 EGABRO O[C@H]1C[C@@H](C2CCCCC2)[N@H+](Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000110645461 220051481 /nfs/dbraw/zinc/05/14/81/220051481.db2.gz QVUWMUQYNWYQRJ-IRXDYDNUSA-N 1 0 345.418 3.391 40 0 EGABRO C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000080086821 217278064 /nfs/dbraw/zinc/27/80/64/217278064.db2.gz OWQNMEZCTUYOIS-HUUCEWRRSA-N 1 0 346.446 3.168 40 0 EGABRO CCc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 ZINC000012276702 211333889 /nfs/dbraw/zinc/33/38/89/211333889.db2.gz VJAIIFRIAWVYKC-UFRUDQCGSA-N 1 0 341.430 3.193 40 0 EGABRO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCC[NH2+]C1 ZINC000012275197 211332982 /nfs/dbraw/zinc/33/29/82/211332982.db2.gz SPKNVWMZDYTDAL-IBGZPJMESA-N 1 0 328.412 3.125 40 0 EGABRO COc1cccc(NC2CC[NH+](Cc3ccc(OC)c(O)c3)CC2)c1 ZINC000093342290 218217202 /nfs/dbraw/zinc/21/72/02/218217202.db2.gz LKFGMPGUQASEIE-UHFFFAOYSA-N 1 0 342.439 3.486 40 0 EGABRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnccn1 ZINC000095422512 218365165 /nfs/dbraw/zinc/36/51/65/218365165.db2.gz KNNJMFUADCRUNG-OCCSQVGLSA-N 1 0 336.361 3.425 40 0 EGABRO [NH3+][C@H]1CON(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O ZINC000005004029 210358441 /nfs/dbraw/zinc/35/84/41/210358441.db2.gz JOVDWBKFWSRIOX-FQEVSTJZSA-N 1 0 344.414 3.080 40 0 EGABRO CCOc1ccc(C[NH2+]CCCSc2ncccn2)cc1OC ZINC000004984121 210349599 /nfs/dbraw/zinc/34/95/99/210349599.db2.gz LLGYLCMWPZHOIF-UHFFFAOYSA-N 1 0 333.457 3.156 40 0 EGABRO CC(C)Oc1cncc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1 ZINC000262085794 153777819 /nfs/dbraw/zinc/77/78/19/153777819.db2.gz RBGJKFNXBIZDJW-UHFFFAOYSA-N 1 0 346.456 3.045 40 0 EGABRO CC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)C[C@@H]1C(=O)c1ccccc1 ZINC000004720806 278221512 /nfs/dbraw/zinc/22/15/12/278221512.db2.gz NFJIYNMGCOTJRP-TZIWHRDSSA-N 1 0 337.419 3.280 40 0 EGABRO C[C@@H](C[C@@H]1CCCO1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163027488 323223762 /nfs/dbraw/zinc/22/37/62/323223762.db2.gz SRSAEHZHEJPBSE-HKUYNNGSSA-N 1 0 344.499 3.363 40 0 EGABRO C[N@@H+]1CCc2ncnc(Sc3nc4ccccc4n3C(F)F)c2C1 ZINC000239869324 455262666 /nfs/dbraw/zinc/26/26/66/455262666.db2.gz CYGSOIHYEQTLBF-UHFFFAOYSA-N 1 0 347.394 3.361 40 0 EGABRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccoc1C1CC1 ZINC000241170993 455266961 /nfs/dbraw/zinc/26/69/61/455266961.db2.gz KDJZVIGYJRSXAQ-KBXCAEBGSA-N 1 0 339.439 3.192 40 0 EGABRO CCn1c(C)[n+](C[C@H](O)COc2ccc(Cl)cc2)c2ccccc21 ZINC000000316247 452563157 /nfs/dbraw/zinc/56/31/57/452563157.db2.gz DAFQCWAWFQQSAJ-INIZCTEOSA-N 1 0 345.850 3.350 40 0 EGABRO C[C@H]1CCc2c(sc3nc(C4CC4)nc(N4CC[NH2+]CC4)c23)C1 ZINC000004847589 452821894 /nfs/dbraw/zinc/82/18/94/452821894.db2.gz VUCZIMVZCWWWDQ-NSHDSACASA-N 1 0 328.485 3.103 40 0 EGABRO Cc1c(C(=O)NCCC[NH+](C)C)sc2nc(-c3ccccc3)cn12 ZINC000006309233 452933607 /nfs/dbraw/zinc/93/36/07/452933607.db2.gz CZJVQFSOLAMOFB-UHFFFAOYSA-N 1 0 342.468 3.053 40 0 EGABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(OC)cc1 ZINC000008254542 453182455 /nfs/dbraw/zinc/18/24/55/453182455.db2.gz JWOGFMKSEOYXAQ-OFQRWUPVSA-N 1 0 333.501 3.102 40 0 biogenic,in-vitro EGABRO CC[C@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000008337132 453194258 /nfs/dbraw/zinc/19/42/58/453194258.db2.gz MZUUMXFTUINPAY-MRXNPFEDSA-N 1 0 333.403 3.274 40 0 EGABRO CCc1nn2c(nccc2[C@@H]2CCC[NH2+]C2)c1-c1ccc(OC)cc1 ZINC000012118301 453345035 /nfs/dbraw/zinc/34/50/35/453345035.db2.gz RTDMBYGQOHNFJH-OAHLLOKOSA-N 1 0 336.439 3.434 40 0 EGABRO C=Cc1ccc(C[N@@H+]2CCC[C@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000012087299 453346273 /nfs/dbraw/zinc/34/62/73/453346273.db2.gz BAGWNUBCHFBKCC-JOCHJYFZSA-N 1 0 348.446 3.487 40 0 EGABRO c1coc(CCC[NH2+]Cc2cc(-c3ccccc3)cn3nnnc23)c1 ZINC000012224332 453350436 /nfs/dbraw/zinc/35/04/36/453350436.db2.gz BSOHPHRPNCKGSO-UHFFFAOYSA-N 1 0 333.395 3.107 40 0 EGABRO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]Cc4ccccn4)[C@H]3C=C12 ZINC000012664281 453388205 /nfs/dbraw/zinc/38/82/05/453388205.db2.gz OGEHVGRPFFETIF-WQEIZXBSSA-N 1 0 340.467 3.485 40 0 biogenic EGABRO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCC[NH+]1CCCCC1 ZINC000013708767 453482334 /nfs/dbraw/zinc/48/23/34/453482334.db2.gz BIOWZXSANBJTDA-MRXNPFEDSA-N 1 0 326.440 3.209 40 0 EGABRO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](CC2CCCCC2)C1 ZINC000015674081 453582331 /nfs/dbraw/zinc/58/23/31/453582331.db2.gz RFAKQAGKHUYGPY-SJORKVTESA-N 1 0 327.428 3.425 40 0 biogenic,in-vitro EGABRO COc1ccc(-c2cc(=O)[nH]c(NC(=[NH2+])Nc3cccc(C)c3)n2)cc1 ZINC000017072549 453629007 /nfs/dbraw/zinc/62/90/07/453629007.db2.gz IOKAPSKFBVYOMM-UHFFFAOYSA-N 1 0 349.394 3.213 40 0 EGABRO COc1cccc(C[N@@H+]2CC[C@@H](c3nc(C(C)(C)C)no3)C2)c1OC ZINC000019084639 453653475 /nfs/dbraw/zinc/65/34/75/453653475.db2.gz KULWHAUJSUQAKA-CQSZACIVSA-N 1 0 345.443 3.374 40 0 EGABRO Cc1ccc(C)c([C@H](O)C[NH+]2CCC(Oc3cccnc3)CC2)c1 ZINC000019132016 453654404 /nfs/dbraw/zinc/65/44/04/453654404.db2.gz VTCRADOLORYNGX-HXUWFJFHSA-N 1 0 326.440 3.275 40 0 EGABRO COc1ccccc1N1CC[NH+](C[C@@H](O)c2cc(C)sc2C)CC1 ZINC000019567919 453657657 /nfs/dbraw/zinc/65/76/57/453657657.db2.gz NULXQZUZEIMSGK-GOSISDBHSA-N 1 0 346.496 3.229 40 0 EGABRO C[NH+]1CCN(c2ccc(NC(=S)Nc3ccc(F)cc3)cc2)CC1 ZINC000023102915 453704785 /nfs/dbraw/zinc/70/47/85/453704785.db2.gz QVKBOXSARPBKBJ-UHFFFAOYSA-N 1 0 344.459 3.386 40 0 EGABRO Cc1ccc2nc(N3CCOCC3)c(/C=C/c3cc[n+](C)cc3)cc2c1 ZINC000026441357 453799876 /nfs/dbraw/zinc/79/98/76/453799876.db2.gz CYXUBZLOUSCMGG-UHFFFAOYSA-N 1 0 346.454 3.375 40 0 EGABRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1)c1cccs1 ZINC000027679683 453819941 /nfs/dbraw/zinc/81/99/41/453819941.db2.gz NPHHLLUBQHNERU-NSHDSACASA-N 1 0 343.374 3.195 40 0 EGABRO Cc1ccc(NC(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc1 ZINC000028579967 453823955 /nfs/dbraw/zinc/82/39/55/453823955.db2.gz TUZONDXRQIIDKT-UHFFFAOYSA-N 1 0 344.503 3.067 40 0 EGABRO Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)CCOc2ccccc2C)cc1 ZINC000032806033 453892076 /nfs/dbraw/zinc/89/20/76/453892076.db2.gz IEUVBZHORBOXPQ-GOSISDBHSA-N 1 0 340.467 3.319 40 0 EGABRO COc1cccc(-c2nc(CSc3nc(N)cc(N)[nH+]3)cs2)c1 ZINC000044867755 454123107 /nfs/dbraw/zinc/12/31/07/454123107.db2.gz MWNSGZIJSDEJKP-UHFFFAOYSA-N 1 0 345.453 3.065 40 0 EGABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000096039140 454265328 /nfs/dbraw/zinc/26/53/28/454265328.db2.gz CIKOGMGUTKCFOG-UXHICEINSA-N 1 0 326.440 3.252 40 0 EGABRO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096047038 454270078 /nfs/dbraw/zinc/27/00/78/454270078.db2.gz FOOKPZAUJICEBT-IBGZPJMESA-N 1 0 341.480 3.271 40 0 EGABRO c1csc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC000096046621 454270206 /nfs/dbraw/zinc/27/02/06/454270206.db2.gz UVVGJLWFNPJBOF-UHFFFAOYSA-N 1 0 328.485 3.026 40 0 EGABRO c1csc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c1 ZINC000096047872 454271092 /nfs/dbraw/zinc/27/10/92/454271092.db2.gz ROAXHENFOWZOQU-QGZVFWFLSA-N 1 0 344.480 3.483 40 0 EGABRO c1csc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 ZINC000096048233 454271215 /nfs/dbraw/zinc/27/12/15/454271215.db2.gz OWTUZEKXYHYKHL-FUHWJXTLSA-N 1 0 330.453 3.346 40 0 EGABRO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccncc1)CC2 ZINC000096051585 454272635 /nfs/dbraw/zinc/27/26/35/454272635.db2.gz GUFRILJGXZFMLA-SFHVURJKSA-N 1 0 339.439 3.191 40 0 EGABRO Cn1cc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)cn1 ZINC000096051101 454273028 /nfs/dbraw/zinc/27/30/28/454273028.db2.gz BEQUKDFONJKZBW-GOSISDBHSA-N 1 0 346.425 3.158 40 0 EGABRO CN(Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3cccs3)C[C@@H]21 ZINC000096056293 454274171 /nfs/dbraw/zinc/27/41/71/454274171.db2.gz SWBADJJFMJTEKB-ZYSHUDEJSA-N 1 0 346.496 3.310 40 0 EGABRO Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1[C@@H](O)c1ccccc1 ZINC000072224755 454274827 /nfs/dbraw/zinc/27/48/27/454274827.db2.gz SIGVYHBFDFKBDR-FQEVSTJZSA-N 1 0 325.456 3.002 40 0 EGABRO Fc1ccc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@@H]3OCCC[C@@H]32)cc1 ZINC000096058150 454277217 /nfs/dbraw/zinc/27/72/17/454277217.db2.gz BFEDZNVGUKAVPE-XUVXKRRUSA-N 1 0 342.414 3.169 40 0 EGABRO O=C(CC1CCCC1)N1CCCC2(CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000096071841 454280236 /nfs/dbraw/zinc/28/02/36/454280236.db2.gz XPSYVPOYOXJJOD-IBGZPJMESA-N 1 0 348.531 3.450 40 0 EGABRO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC000096158167 454295890 /nfs/dbraw/zinc/29/58/90/454295890.db2.gz AWRBJIGKOWJWGV-FQEVSTJZSA-N 1 0 327.472 3.200 40 0 EGABRO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3Cc2cccnc2)oc1C ZINC000096186354 454299757 /nfs/dbraw/zinc/29/97/57/454299757.db2.gz GNUMKDAYVGAZDV-OALUTQOASA-N 1 0 339.439 3.057 40 0 EGABRO Cc1ccc(CN2CCc3c(COCC[NH+](C)C)cncc3C2)s1 ZINC000096189338 454299766 /nfs/dbraw/zinc/29/97/66/454299766.db2.gz HQYAXMMXQOEVKE-UHFFFAOYSA-N 1 0 345.512 3.088 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)o1 ZINC000096215878 454305102 /nfs/dbraw/zinc/30/51/02/454305102.db2.gz SRPXCCVLRWNTKE-FQEVSTJZSA-N 1 0 325.456 3.471 40 0 EGABRO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000096215680 454305414 /nfs/dbraw/zinc/30/54/14/454305414.db2.gz DOMCWLGWBUQYER-OAQYLSRUSA-N 1 0 344.499 3.162 40 0 EGABRO c1cc(C[NH+]2CCC3(CO[C@@H](COCc4ccccn4)C3)CC2)co1 ZINC000096218308 454307194 /nfs/dbraw/zinc/30/71/94/454307194.db2.gz BCLMPLUKIZPTHV-LJQANCHMSA-N 1 0 342.439 3.263 40 0 EGABRO Fc1cccnc1N[C@@H]1CO[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096219189 454307293 /nfs/dbraw/zinc/30/72/93/454307293.db2.gz GVKSBLLBBYSCGJ-GUYCJALGSA-N 1 0 333.432 3.128 40 0 EGABRO Cc1nc(CN2C[C@]3(CC[N@H+](Cc4cccs4)C3)CC2=O)cs1 ZINC000096239364 454310806 /nfs/dbraw/zinc/31/08/06/454310806.db2.gz GDOLMMFKDZAJLY-QGZVFWFLSA-N 1 0 347.509 3.138 40 0 EGABRO CC(C)[NH+]1CCC2(CC1)CN(C(=O)c1ccccn1)Cc1ccccc12 ZINC000096242411 454311616 /nfs/dbraw/zinc/31/16/16/454311616.db2.gz NCVURNNTDVXCBG-UHFFFAOYSA-N 1 0 349.478 3.480 40 0 EGABRO Fc1ccccc1C[NH2+]C[C@H]1Cn2cc(-c3ccccc3)nc2CO1 ZINC000096269381 454314250 /nfs/dbraw/zinc/31/42/50/454314250.db2.gz QUWVDXFBAXAOFM-KRWDZBQOSA-N 1 0 337.398 3.378 40 0 biogenic,in-vitro EGABRO Brc1ccc(N2CC[C@@H]([NH2+]Cc3ccccn3)C2)cc1 ZINC000096403980 454322077 /nfs/dbraw/zinc/32/20/77/454322077.db2.gz SQPROOJFNXTLNI-OAHLLOKOSA-N 1 0 332.245 3.213 40 0 EGABRO O=C(c1ncoc1[C@H]1CCCO1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000096406356 454324732 /nfs/dbraw/zinc/32/47/32/454324732.db2.gz YHCZQZCAOAWVOR-HZPDHXFCSA-N 1 0 347.459 3.007 40 0 EGABRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccsc1 ZINC000096439082 454348698 /nfs/dbraw/zinc/34/86/98/454348698.db2.gz HLHUTXSHBMMWOA-GOSISDBHSA-N 1 0 343.496 3.412 40 0 EGABRO COc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1SC(F)(F)F ZINC000096441368 454350759 /nfs/dbraw/zinc/35/07/59/454350759.db2.gz UZXCLPKZMUMPQY-UHFFFAOYSA-N 1 0 348.390 3.004 40 0 EGABRO O=C(C[N@@H+]1C[C@H]2CCCC[C@]21c1ccccc1)NCc1cccnc1 ZINC000096481040 454363679 /nfs/dbraw/zinc/36/36/79/454363679.db2.gz UDWPDENOQWXMBO-CTNGQTDRSA-N 1 0 335.451 3.099 40 0 EGABRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000096483957 454366130 /nfs/dbraw/zinc/36/61/30/454366130.db2.gz SFJKWEMRAVIBOM-VIFPVBQESA-N 1 0 343.798 3.272 40 0 EGABRO O=C(CCc1cncc(F)c1)Nc1ccccc1C[NH+]1CCCC1 ZINC000096492174 454369989 /nfs/dbraw/zinc/36/99/89/454369989.db2.gz SUPRJGMLFIDBTH-UHFFFAOYSA-N 1 0 327.403 3.388 40 0 EGABRO O=S1(=O)CC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000096500113 454371938 /nfs/dbraw/zinc/37/19/38/454371938.db2.gz VRSPCTFQBRVPHZ-AWEZNQCLSA-N 1 0 333.428 3.017 40 0 EGABRO COc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2-c2cccnc2)cc1F ZINC000091061678 454374370 /nfs/dbraw/zinc/37/43/70/454374370.db2.gz BHZMGRDREGEZPA-ZDUSSCGKSA-N 1 0 340.402 3.481 40 0 EGABRO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000097233873 454428566 /nfs/dbraw/zinc/42/85/66/454428566.db2.gz SEQQJUWCRNUFSG-UGSOOPFHSA-N 1 0 348.878 3.096 40 0 EGABRO COC(=O)c1ccc(NC(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000048005078 454431050 /nfs/dbraw/zinc/43/10/50/454431050.db2.gz XDQCWFSVCOBZHE-UHFFFAOYSA-N 1 0 347.459 3.107 40 0 EGABRO C[NH+](C)CCOc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000048356527 454477962 /nfs/dbraw/zinc/47/79/62/454477962.db2.gz FAJIKRDUNNOWLK-UHFFFAOYSA-N 1 0 346.858 3.139 40 0 EGABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccn4)C3)o2)cc1 ZINC000049170138 454537035 /nfs/dbraw/zinc/53/70/35/454537035.db2.gz VWKIROLJDNLKCO-HNNXBMFYSA-N 1 0 336.395 3.130 40 0 biogenic,in-vitro EGABRO c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)o2)cc1 ZINC000049169346 454537064 /nfs/dbraw/zinc/53/70/64/454537064.db2.gz IZOMNAIHHXXGCR-INIZCTEOSA-N 1 0 349.390 3.455 40 0 biogenic,in-vitro EGABRO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000093454929 454716678 /nfs/dbraw/zinc/71/66/78/454716678.db2.gz ZCKPRJCROFMENQ-HNNXBMFYSA-N 1 0 348.516 3.120 40 0 EGABRO Cc1cc(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000124415851 454730278 /nfs/dbraw/zinc/73/02/78/454730278.db2.gz PVMMBEDYSWNMQO-OAHLLOKOSA-N 1 0 337.261 3.068 40 0 EGABRO C[C@H](CN1CCC[C@@H]1c1nc2ccccc2s1)CS(C)(=O)=O ZINC000162232192 454760685 /nfs/dbraw/zinc/76/06/85/454760685.db2.gz RFYLRZMHAGPACL-TZMCWYRMSA-N 1 0 338.498 3.114 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)s1 ZINC000107730870 454771419 /nfs/dbraw/zinc/77/14/19/454771419.db2.gz FUAIWKUUBZCLAW-QAPCUYQASA-N 1 0 344.484 3.082 40 0 EGABRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccco2)[C@H]1c1cccs1 ZINC000110630299 454849723 /nfs/dbraw/zinc/84/97/23/454849723.db2.gz IBICKUORQFEJNB-BBRMVZONSA-N 1 0 333.457 3.223 40 0 EGABRO COc1cccc2cc([C@@H](C)NC(=O)C[N@H+](C)[C@H]3CCSC3)oc21 ZINC000110698182 454851432 /nfs/dbraw/zinc/85/14/32/454851432.db2.gz LXYSXCZQYPDRSW-OCCSQVGLSA-N 1 0 348.468 3.056 40 0 EGABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC1CC[NH+](C)CC1 ZINC000113951207 454940166 /nfs/dbraw/zinc/94/01/66/454940166.db2.gz TZKUDYCCVFVUAA-IBGZPJMESA-N 1 0 326.440 3.208 40 0 EGABRO Cn1ccnc1[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)C1CC1 ZINC000127672925 454986750 /nfs/dbraw/zinc/98/67/50/454986750.db2.gz HODWCJCACDMFBW-YOEHRIQHSA-N 1 0 332.398 3.018 40 0 EGABRO Cn1cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c(-c2ccccc2)n1 ZINC000179987529 455110995 /nfs/dbraw/zinc/11/09/95/455110995.db2.gz LUESZUASKSVRPC-KRWDZBQOSA-N 1 0 347.466 3.416 40 0 EGABRO O=C(NCC1CC[NH+](C2CCSCC2)CC1)c1cccc(F)c1 ZINC000245093503 455279246 /nfs/dbraw/zinc/27/92/46/455279246.db2.gz RRDWEXJCQJQLTN-UHFFFAOYSA-N 1 0 336.476 3.163 40 0 EGABRO C[N@H+](Cc1csc(-c2ccccn2)n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000248116012 455681469 /nfs/dbraw/zinc/68/14/69/455681469.db2.gz LMHLJPDKPLJGFO-NUEKZKHPSA-N 1 0 329.469 3.450 40 0 EGABRO C[C@H](NC(=O)N1CCSCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000250976522 455789523 /nfs/dbraw/zinc/78/95/23/455789523.db2.gz VBHPEOIHMOPGNC-PMPSAXMXSA-N 1 0 339.549 3.176 40 0 EGABRO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)c1ccc(F)c(F)c1 ZINC000252477203 455806128 /nfs/dbraw/zinc/80/61/28/455806128.db2.gz JYVBIANUDPQQSD-OWCBBSPXSA-N 1 0 349.425 3.152 40 0 EGABRO Cc1ccc([C@@H](CNC(=O)c2cccc(CO)c2)[NH+]2CCCC2)cc1 ZINC000252486679 455810877 /nfs/dbraw/zinc/81/08/77/455810877.db2.gz HOLVKOLBIQTUDW-HXUWFJFHSA-N 1 0 338.451 3.054 40 0 EGABRO COc1ccccc1C(=O)NCC1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000253397630 455838936 /nfs/dbraw/zinc/83/89/36/455838936.db2.gz FWYBYZZYYSWFTO-UHFFFAOYSA-N 1 0 339.439 3.045 40 0 EGABRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3cccs3)[C@@H](C)C2)s1 ZINC000253419208 455842979 /nfs/dbraw/zinc/84/29/79/455842979.db2.gz KNUSFRODRIGBHN-SMDDNHRTSA-N 1 0 335.498 3.153 40 0 EGABRO O[C@H](C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1)c1ccccc1 ZINC000253420760 455844303 /nfs/dbraw/zinc/84/43/03/455844303.db2.gz LMNXNOYCKNMGJU-ZIAGYGMSSA-N 1 0 339.361 3.342 40 0 EGABRO Cc1occc1C(=O)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257297351 455885710 /nfs/dbraw/zinc/88/57/10/455885710.db2.gz RGWVSQDAGZHKCC-KRWDZBQOSA-N 1 0 340.423 3.146 40 0 EGABRO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@H](Cc4ccccn4)C3)c2n1 ZINC000257305096 455886897 /nfs/dbraw/zinc/88/68/97/455886897.db2.gz SOKROGMFSGKATC-QGZVFWFLSA-N 1 0 335.455 3.196 40 0 EGABRO Cn1cncc1-c1cccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000257307281 455887334 /nfs/dbraw/zinc/88/73/34/455887334.db2.gz SYAMZQOCQBAMOI-INIZCTEOSA-N 1 0 333.439 3.257 40 0 EGABRO Cc1nc(C(=O)N2[C@@H](c3ccccc3)C[C@H]3[C@H]2CCCC[N@H+]3C)co1 ZINC000257311216 455889420 /nfs/dbraw/zinc/88/94/20/455889420.db2.gz UILDCCSBHFPEJB-QRVBRYPASA-N 1 0 339.439 3.423 40 0 EGABRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(NC)c2)cc1CO ZINC000257323488 455891250 /nfs/dbraw/zinc/89/12/50/455891250.db2.gz WKKGYEUJIVDCRU-SFHVURJKSA-N 1 0 341.455 3.351 40 0 EGABRO Cc1nc([C@H]2CCC[NH2+]2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000257323441 455891453 /nfs/dbraw/zinc/89/14/53/455891453.db2.gz WKEOCUFIBJIDKZ-MRXNPFEDSA-N 1 0 328.460 3.069 40 0 EGABRO c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257329902 455892702 /nfs/dbraw/zinc/89/27/02/455892702.db2.gz XLYWZJSMGCWQMG-CYBMUJFWSA-N 1 0 325.441 3.308 40 0 EGABRO Cc1[nH+]cc2cncc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n21 ZINC000257336571 455894325 /nfs/dbraw/zinc/89/43/25/455894325.db2.gz YPAOZJQAITVTFZ-SFHVURJKSA-N 1 0 348.450 3.377 40 0 EGABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 ZINC000223210700 456054077 /nfs/dbraw/zinc/05/40/77/456054077.db2.gz VDAPQANHHFTWQF-HZPDHXFCSA-N 1 0 346.525 3.067 40 0 EGABRO Cc1cc(C)cc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000225212713 456075441 /nfs/dbraw/zinc/07/54/41/456075441.db2.gz HGGJAJMUODDSQK-UHFFFAOYSA-N 1 0 347.528 3.233 40 0 EGABRO COC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225599214 456097755 /nfs/dbraw/zinc/09/77/55/456097755.db2.gz YAXHWRACWMRLSQ-OAHLLOKOSA-N 1 0 334.460 3.161 40 0 EGABRO CSc1ccccc1CN(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000272901227 456106417 /nfs/dbraw/zinc/10/64/17/456106417.db2.gz JQZFJFIIPFYDMM-GFCCVEGCSA-N 1 0 332.391 3.004 40 0 EGABRO CC(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)o1 ZINC000582165492 459319615 /nfs/dbraw/zinc/31/96/15/459319615.db2.gz GUCZJZPIEYUAIV-OAHLLOKOSA-N 1 0 340.423 3.076 40 0 EGABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCC1(O)CCCCC1 ZINC000585289379 459833497 /nfs/dbraw/zinc/83/34/97/459833497.db2.gz QLBYYKBOZLKLGR-IPMKNSEASA-N 1 0 333.472 3.022 40 0 EGABRO C/C=C/C=C/C(=O)N[C@@H](C)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000032580278 518511539 /nfs/dbraw/zinc/51/15/39/518511539.db2.gz IUGYTOHLQNWEEP-INRCBQSHSA-N 1 0 341.499 3.144 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccsc2)CC1 ZINC000195558519 534827636 /nfs/dbraw/zinc/82/76/36/534827636.db2.gz NWLYDLXVKBFJLS-LSDHHAIUSA-N 1 0 340.489 3.161 40 0 EGABRO O=C(/C=C/c1ccoc1)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000244950855 527645207 /nfs/dbraw/zinc/64/52/07/527645207.db2.gz FORLNHIOFWQANB-UHFFFAOYSA-N 1 0 334.485 3.017 40 0 EGABRO CC[NH+](CC)CCNc1nc(Cl)nc(Nc2cccc(F)c2)n1 ZINC000199799123 535542201 /nfs/dbraw/zinc/54/22/01/535542201.db2.gz PLBILBFQFDMEMO-UHFFFAOYSA-N 1 0 338.818 3.161 40 0 EGABRO CCC[C@]12CCCN1C(=O)N(C1CC[NH+](C3CCCCC3)CC1)C2=O ZINC000253430800 535770747 /nfs/dbraw/zinc/77/07/47/535770747.db2.gz OECSDUFRNWMDEN-HXUWFJFHSA-N 1 0 347.503 3.380 40 0 EGABRO Cc1ccc(Cl)c(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228921309 575000111 /nfs/dbraw/zinc/00/01/11/575000111.db2.gz LIQNMEZEADASJL-UHFFFAOYSA-N 1 0 342.834 3.456 40 0 EGABRO Cc1ccccc1N1C(=O)C[C@@H](N(C)Cc2cccc(Cl)c2)C1=O ZINC000102815188 219233064 /nfs/dbraw/zinc/23/30/64/219233064.db2.gz MYNNPPOYCXLCBJ-QGZVFWFLSA-N 1 0 342.826 3.412 40 0 EGABRO CC1(C)CN([C@H](C[NH2+]Cc2cc[nH]n2)c2ccc(Cl)cc2)CCO1 ZINC000103345950 219292619 /nfs/dbraw/zinc/29/26/19/219292619.db2.gz OTNNOFIGFFJXNE-QGZVFWFLSA-N 1 0 348.878 3.005 40 0 EGABRO CC(C)(C)OC(=O)N(Cc1ccc2c(c1)OCC2)[C@@H]1CCC[NH2+]C1 ZINC000040449814 213305557 /nfs/dbraw/zinc/30/55/57/213305557.db2.gz CVUMRNBQGKQBFZ-MRXNPFEDSA-N 1 0 332.444 3.111 40 0 EGABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCCC[NH+]1CCCCC1 ZINC000038754169 213223550 /nfs/dbraw/zinc/22/35/50/213223550.db2.gz UXAGTPAUQPTJDF-SFHVURJKSA-N 1 0 332.488 3.453 40 0 EGABRO CC[NH+](CC)[C@H](CNC(=O)c1ccc[nH]c1=S)Cc1ccccc1 ZINC000029907883 212685041 /nfs/dbraw/zinc/68/50/41/212685041.db2.gz AGCGGLBCJKDMNW-INIZCTEOSA-N 1 0 343.496 3.053 40 0 EGABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377360 216178896 /nfs/dbraw/zinc/17/88/96/216178896.db2.gz WUQMAYOIKQRDIA-QGZVFWFLSA-N 1 0 332.411 3.347 40 0 EGABRO COc1ccc(C[N@@H+]2CCOC[C@H](Cc3cccc(C)n3)C2)cc1 ZINC000072388191 216187677 /nfs/dbraw/zinc/18/76/77/216187677.db2.gz ASYYJQICAANLQD-GOSISDBHSA-N 1 0 326.440 3.090 40 0 EGABRO Fc1ccccc1CC[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392391 216191217 /nfs/dbraw/zinc/19/12/17/216191217.db2.gz KZLSHGXNIZQTEF-UHFFFAOYSA-N 1 0 347.397 3.263 40 0 EGABRO CC[C@H](OC1CCCC1)C(=O)Nc1cc(C)nn1-c1cc[nH+]cc1 ZINC000072535184 216270508 /nfs/dbraw/zinc/27/05/08/216270508.db2.gz YPSICMWYQXTYJZ-INIZCTEOSA-N 1 0 328.416 3.252 40 0 EGABRO CC(C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)[NH+](C)C ZINC000023188913 212359119 /nfs/dbraw/zinc/35/91/19/212359119.db2.gz CQFYFUUMUJSXJP-MRXNPFEDSA-N 1 0 347.434 3.116 40 0 EGABRO CC[NH+](CC)CCN(C)[C@@](O)(C(=O)c1ccccc1)C1CCCC1 ZINC000022588141 212308417 /nfs/dbraw/zinc/30/84/17/212308417.db2.gz FYCWKFSPEUEYGS-FQEVSTJZSA-N 1 0 332.488 3.022 40 0 EGABRO O=C(c1cccc(Cl)c1)N1CCC[N@H+](C[C@H]2CCC=CO2)CC1 ZINC000193795032 240313523 /nfs/dbraw/zinc/31/35/23/240313523.db2.gz LSUJXAXSPSADQJ-QGZVFWFLSA-N 1 0 334.847 3.181 40 0 EGABRO Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000195557711 241006455 /nfs/dbraw/zinc/00/64/55/241006455.db2.gz TZVRMALHPMXJQD-INIZCTEOSA-N 1 0 346.402 3.351 40 0 EGABRO CN(C)[C@H](C[NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000022029952 212272863 /nfs/dbraw/zinc/27/28/63/212272863.db2.gz WDOOJNNTIMLENV-HXUWFJFHSA-N 1 0 337.467 3.006 40 0 EGABRO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000257222055 244188210 /nfs/dbraw/zinc/18/82/10/244188210.db2.gz DRRRGSRHBHZSMK-OAHLLOKOSA-N 1 0 337.427 3.141 40 0 EGABRO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1cc(-c2ncc[nH]2)nc(C)n1 ZINC000257233202 244219362 /nfs/dbraw/zinc/21/93/62/244219362.db2.gz GOFROWLXVKDFOQ-OAHLLOKOSA-N 1 0 340.456 3.277 40 0 EGABRO CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)c1 ZINC000257263627 244354552 /nfs/dbraw/zinc/35/45/52/244354552.db2.gz LQUPOFMJLOXSFC-MRXNPFEDSA-N 1 0 325.412 3.119 40 0 EGABRO Cc1nc(C(=O)N2CCCC[C@H]3[NH2+][C@@H](c4ccccc4)C[C@@H]32)co1 ZINC000257274788 244388269 /nfs/dbraw/zinc/38/82/69/244388269.db2.gz NMQZMQSEHJVIEP-NUJGCVRESA-N 1 0 325.412 3.081 40 0 EGABRO COc1ccc(OC)c(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019842198 212075615 /nfs/dbraw/zinc/07/56/15/212075615.db2.gz ZWJZTTGEYYUYPC-FGTMMUONSA-N 1 0 342.483 3.034 40 0 EGABRO COc1ccc2nc(C)c(C(=O)N3CCCC[C@@H]3C[NH+](C)C)cc2c1 ZINC000019582573 212046981 /nfs/dbraw/zinc/04/69/81/212046981.db2.gz QMOCCKFOPBZAMZ-MRXNPFEDSA-N 1 0 341.455 3.108 40 0 EGABRO CN1CC[N@H+](CC2CC2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589538 212048399 /nfs/dbraw/zinc/04/83/99/212048399.db2.gz ARBBWOWPBUEPTF-NRFANRHFSA-N 1 0 349.478 3.091 40 0 EGABRO NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@H+](CC2CC2)C1 ZINC000019374153 212024771 /nfs/dbraw/zinc/02/47/71/212024771.db2.gz OOEJUWXMGAYCDL-JOCHJYFZSA-N 1 0 334.463 3.484 40 0 EGABRO O[C@@H](CN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000019369323 212022196 /nfs/dbraw/zinc/02/21/96/212022196.db2.gz XBIUJADNHMADBP-IBGZPJMESA-N 1 0 330.859 3.191 40 0 EGABRO Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)CC[NH+]1CCCCC1 ZINC000012360890 211354999 /nfs/dbraw/zinc/35/49/99/211354999.db2.gz VRHCYMMNNILGOZ-UHFFFAOYSA-N 1 0 331.435 3.102 40 0 EGABRO Cc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1C ZINC000012292203 211335591 /nfs/dbraw/zinc/33/55/91/211335591.db2.gz RPRXSYBSIDFLGH-HXUWFJFHSA-N 1 0 343.442 3.460 40 0 EGABRO CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC=CCC2)[C@@H](c2ccc(OC)cc2)C1 ZINC000012241811 211327902 /nfs/dbraw/zinc/32/79/02/211327902.db2.gz DXNLEZMLMFJLPC-RLLQIKCJSA-N 1 0 342.483 3.346 40 0 EGABRO CC1CCC([N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C[C@H]2CCCO2)CC1 ZINC000093666321 218240422 /nfs/dbraw/zinc/24/04/22/218240422.db2.gz JPNXGZINKGWZIM-VMWRSERWSA-N 1 0 347.503 3.276 40 0 EGABRO C[C@@](O)(C[NH2+]C1CCN(CCc2ccccc2)CC1)c1ccsc1 ZINC000095423042 218365064 /nfs/dbraw/zinc/36/50/64/218365064.db2.gz AKIUXOLKOYKSIB-HXUWFJFHSA-N 1 0 344.524 3.252 40 0 EGABRO COCC[N@@H+]1CCCC[C@@H]1c1cc(Nc2nccs2)nc(C)n1 ZINC000072382689 285014827 /nfs/dbraw/zinc/01/48/27/285014827.db2.gz VVPAYZIVBMTUFI-CQSZACIVSA-N 1 0 333.461 3.159 40 0 EGABRO COc1ccc(Cc2c[n+](C)cc3cc(N=O)c(OC)cc32)cc1O ZINC000004995044 210353915 /nfs/dbraw/zinc/35/39/15/210353915.db2.gz DOWWGARSZGOSJK-UHFFFAOYSA-O 1 0 339.371 3.376 40 0 EGABRO O=C1[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCCN1CC(F)(F)F ZINC000128129811 296433238 /nfs/dbraw/zinc/43/32/38/296433238.db2.gz ACOIODLWWBQPAR-HBNTYKKESA-N 1 0 346.315 3.250 40 0 EGABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[NH2+]CCN ZINC000118918955 221204293 /nfs/dbraw/zinc/20/42/93/221204293.db2.gz UCLYPBSPTCWPOQ-OIFNNXFWSA-N 1 0 334.548 3.307 40 0 EGABRO CC[NH+](CC)C1CCN(C(=O)C[C@H]2CCOc3ccccc32)CC1 ZINC000096410141 276092947 /nfs/dbraw/zinc/09/29/47/276092947.db2.gz ZTUAVABNUINVSH-MRXNPFEDSA-N 1 0 330.472 3.276 40 0 EGABRO CCn1c(C)cc(O)c([C@H](c2ccncc2)[NH+]2CCC(C)CC2)c1=O ZINC000022697485 288676274 /nfs/dbraw/zinc/67/62/74/288676274.db2.gz VANPAXYTRDKDHW-IBGZPJMESA-N 1 0 341.455 3.099 40 0 EGABRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000019082427 289209948 /nfs/dbraw/zinc/20/99/48/289209948.db2.gz NDTCEBAFKYOHDQ-HUUCEWRRSA-N 1 0 347.503 3.382 40 0 EGABRO C[C@@H]1C[NH+](C[C@@H](O)COC2CCC(C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000013305063 297011899 /nfs/dbraw/zinc/01/18/99/297011899.db2.gz DFRVEFDIWXCZKT-TWGIBVSRSA-N 1 0 327.509 3.078 40 0 EGABRO Cc1nc([C@H]2CCCCN2C(=O)c2cccs2)cc2c[nH+]cn21 ZINC000257333354 302639046 /nfs/dbraw/zinc/63/90/46/302639046.db2.gz YBFWSZVKSKXEAW-OAHLLOKOSA-N 1 0 326.425 3.467 40 0 EGABRO Cc1csc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1Cl ZINC000333345258 308857427 /nfs/dbraw/zinc/85/74/27/308857427.db2.gz ZBIYTUUNBDPSNT-STQMWFEESA-N 1 0 342.892 3.068 40 0 EGABRO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCN1CC(F)(F)F ZINC000128130041 323218901 /nfs/dbraw/zinc/21/89/01/323218901.db2.gz ACOIODLWWBQPAR-GMTAPVOTSA-N 1 0 346.315 3.250 40 0 EGABRO CC(C)[C@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(F)cc1F ZINC000130350140 323219555 /nfs/dbraw/zinc/21/95/55/323219555.db2.gz DINCZISZMLOAAK-DYVFJYSZSA-N 1 0 339.430 3.255 40 0 EGABRO CC[C@H](C)n1ncc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1C ZINC000390834269 324284099 /nfs/dbraw/zinc/28/40/99/324284099.db2.gz VNEACOCNSYRALB-WWTUQBGBSA-N 1 0 333.480 3.299 40 0 EGABRO OCc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000241634616 455268418 /nfs/dbraw/zinc/26/84/18/455268418.db2.gz PNVBZAOQMGVEQD-PMACEKPBSA-N 1 0 329.415 3.406 40 0 EGABRO CCC(=O)O[C@@H](C[NH3+])[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000003845396 452786113 /nfs/dbraw/zinc/78/61/13/452786113.db2.gz FLMGZJLLDPIYRL-HKUYNNGSSA-N 1 0 325.408 3.324 40 0 EGABRO CCN(CC)C(=O)[C@H](c1ccccc1)[C@@]1(O)CCCC[C@@H]1C[NH+](C)C ZINC000004783502 452817035 /nfs/dbraw/zinc/81/70/35/452817035.db2.gz ORSHIJVHWYGHBF-SVFBPWRDSA-N 1 0 346.515 3.122 40 0 EGABRO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1F ZINC000008012870 453148553 /nfs/dbraw/zinc/14/85/53/453148553.db2.gz XNQFNSBPJJKAPR-UHFFFAOYSA-N 1 0 342.414 3.360 40 0 EGABRO CCOc1cc(C[NH2+]C2CCCC2)ccc1OCC(=O)NC(C)(C)C ZINC000008254400 453181892 /nfs/dbraw/zinc/18/18/92/453181892.db2.gz KPUDELHJGWZQAR-UHFFFAOYSA-N 1 0 348.487 3.411 40 0 EGABRO O=C(CCSc1ccc(Cl)cc1)NCCC[NH+]1CCCC1 ZINC000013646972 453478984 /nfs/dbraw/zinc/47/89/84/453478984.db2.gz RTWRDWOPTGDABK-UHFFFAOYSA-N 1 0 326.893 3.424 40 0 EGABRO COCC(=O)N1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@@H+]2C ZINC000019711727 453658282 /nfs/dbraw/zinc/65/82/82/453658282.db2.gz ZJQLIXIHOLSRFR-DYXWJJEUSA-N 1 0 344.499 3.110 40 0 EGABRO Cn1nccc1CN1[C@H](Cc2ccccc2)C[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019713006 453658707 /nfs/dbraw/zinc/65/87/07/453658707.db2.gz GRLXVPHHCRZZRU-QHAWAJNXSA-N 1 0 338.499 3.138 40 0 EGABRO CC[N@H+](C)[C@H]1CN(C(=O)Cc2c(C)noc2C)C2(C1)CCCCC2 ZINC000019704845 453658769 /nfs/dbraw/zinc/65/87/69/453658769.db2.gz HVQJFNRZMNOEGT-MRXNPFEDSA-N 1 0 333.476 3.089 40 0 EGABRO Cc1ccc(-c2cc(C[C@]3(C(=O)NCC(C)C)CCC[NH2+]3)on2)cc1 ZINC000019696528 453658817 /nfs/dbraw/zinc/65/88/17/453658817.db2.gz WHQXMWBMBGPANV-FQEVSTJZSA-N 1 0 341.455 3.087 40 0 EGABRO c1ccc(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000022462544 453692743 /nfs/dbraw/zinc/69/27/43/453692743.db2.gz VHHKQPAMKPAGAC-QFIPXVFZSA-N 1 0 335.495 3.079 40 0 EGABRO COc1ccc(COC[C@@H](O)C[N@@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000024829664 453749189 /nfs/dbraw/zinc/74/91/89/453749189.db2.gz JTPCBFNAABBCTR-HOCLYGCPSA-N 1 0 347.480 3.254 40 0 EGABRO COc1ccc(COC[C@H](O)C[N@@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000024829667 453749210 /nfs/dbraw/zinc/74/92/10/453749210.db2.gz JTPCBFNAABBCTR-GOEBONIOSA-N 1 0 347.480 3.254 40 0 EGABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(Br)cc1F ZINC000032841712 453894023 /nfs/dbraw/zinc/89/40/23/453894023.db2.gz JWJRSGFDIHYTEE-UHFFFAOYSA-N 1 0 343.240 3.194 40 0 EGABRO COCC[N@H+](CC1(c2ccc(Cl)cc2)CC1)C1CCN(C)CC1 ZINC000036743657 453931109 /nfs/dbraw/zinc/93/11/09/453931109.db2.gz FTXXQQXUFWOBOS-UHFFFAOYSA-N 1 0 336.907 3.414 40 0 EGABRO COc1ccc(NC(=O)N2CCCSC[C@H]2C[NH+]2CCCC2)cc1 ZINC000085473228 454030539 /nfs/dbraw/zinc/03/05/39/454030539.db2.gz KXAZXZWLLMOJAX-MRXNPFEDSA-N 1 0 349.500 3.130 40 0 EGABRO Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cc[nH]n2)cc1 ZINC000623581914 460624152 /nfs/dbraw/zinc/62/41/52/460624152.db2.gz SJQRIMYIHMLOIB-NVXWUHKLSA-N 1 0 340.452 3.461 40 0 EGABRO COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000245921147 455399533 /nfs/dbraw/zinc/39/95/33/455399533.db2.gz GZCPEZKKRYGDDM-OFQRWUPVSA-N 1 0 349.450 3.021 40 0 EGABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000045640289 454171418 /nfs/dbraw/zinc/17/14/18/454171418.db2.gz ZYWJAFNADGDCPM-KRWDZBQOSA-N 1 0 332.488 3.488 40 0 EGABRO Fc1cnc(N2CCC[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)nc1 ZINC000096047177 454269170 /nfs/dbraw/zinc/26/91/70/454269170.db2.gz SDZFJYWQEJANQT-QGZVFWFLSA-N 1 0 332.448 3.170 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)s1 ZINC000096048349 454270930 /nfs/dbraw/zinc/27/09/30/454270930.db2.gz FUAIWKUUBZCLAW-MAUKXSAKSA-N 1 0 344.484 3.082 40 0 EGABRO Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cccs2)C3)nn1 ZINC000096048435 454271284 /nfs/dbraw/zinc/27/12/84/454271284.db2.gz AWXCJRFHAIIYDH-MAUKXSAKSA-N 1 0 344.484 3.082 40 0 EGABRO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccncc1)CC2 ZINC000096051584 454273043 /nfs/dbraw/zinc/27/30/43/454273043.db2.gz GUFRILJGXZFMLA-GOSISDBHSA-N 1 0 339.439 3.191 40 0 EGABRO Fc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096055151 454274347 /nfs/dbraw/zinc/27/43/47/454274347.db2.gz SKEOIBJYTBPYOI-QUCCMNQESA-N 1 0 344.405 3.302 40 0 EGABRO c1cc(C[NH+]2CCC3(CO[C@H](COCc4cccnc4)C3)CC2)co1 ZINC000096106136 454283164 /nfs/dbraw/zinc/28/31/64/454283164.db2.gz RCEZOOHMSXWKMB-IBGZPJMESA-N 1 0 342.439 3.263 40 0 EGABRO Cc1ncsc1C[NH+]1CCC2(C[C@@H](Oc3ccccn3)CO2)CC1 ZINC000096106995 454284275 /nfs/dbraw/zinc/28/42/75/454284275.db2.gz WIKTXCJCRVNPPR-OAHLLOKOSA-N 1 0 345.468 3.049 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)o1 ZINC000096106684 454284953 /nfs/dbraw/zinc/28/49/53/454284953.db2.gz ODCDSGXQQBKPRD-IBGZPJMESA-N 1 0 349.471 3.155 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3cccnc3)CC[C@H]2OC)cc1 ZINC000096110236 454285557 /nfs/dbraw/zinc/28/55/57/454285557.db2.gz RYEDQNVICSMVBU-AZUAARDMSA-N 1 0 326.440 3.170 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)o1 ZINC000096110372 454285865 /nfs/dbraw/zinc/28/58/65/454285865.db2.gz MKFDHWQKFZFQNB-MOPGFXCFSA-N 1 0 328.412 3.043 40 0 EGABRO Cc1nc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccc(C)n2)cs1 ZINC000096184742 454299231 /nfs/dbraw/zinc/29/92/31/454299231.db2.gz PFTPJMUKBMQMGZ-ROUUACIJSA-N 1 0 328.485 3.004 40 0 EGABRO Cc1cc(C)cc(C[NH+]2CCC3(CN(c4cccnc4)C3=O)CC2)c1 ZINC000096202950 454302510 /nfs/dbraw/zinc/30/25/10/454302510.db2.gz SWDCUXCFPSWWSD-UHFFFAOYSA-N 1 0 335.451 3.327 40 0 EGABRO C[C@@H]1C[N@H+](Cc2cccs2)C[C@]12CCN(c1cccnc1)C2=O ZINC000096201738 454302967 /nfs/dbraw/zinc/30/29/67/454302967.db2.gz HZXBYNZMHKGJJZ-RDTXWAMCSA-N 1 0 327.453 3.018 40 0 EGABRO O=C1CCCN1[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3)C2)C1 ZINC000096209553 454305385 /nfs/dbraw/zinc/30/53/85/454305385.db2.gz YMCAZBNQCWLKLZ-IEBWSBKVSA-N 1 0 348.874 3.086 40 0 EGABRO c1coc(C[NH+]2CCC3(CO[C@@H](COCc4ccncc4)C3)CC2)c1 ZINC000096218311 454306920 /nfs/dbraw/zinc/30/69/20/454306920.db2.gz UTNAONAAEHJJQP-LJQANCHMSA-N 1 0 342.439 3.263 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC000096238570 454310610 /nfs/dbraw/zinc/31/06/10/454310610.db2.gz KYCFEHOLECRECM-HXUWFJFHSA-N 1 0 339.439 3.229 40 0 EGABRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccccn4)C3)CC2=O)s1 ZINC000096239329 454310826 /nfs/dbraw/zinc/31/08/26/454310826.db2.gz LMBUHRUMMLSLSD-SFHVURJKSA-N 1 0 327.453 3.081 40 0 EGABRO c1cc(C[NH+]2CCC3(CC2)COCCN(c2cccnc2)C3)cs1 ZINC000096239969 454311469 /nfs/dbraw/zinc/31/14/69/454311469.db2.gz BQRHJLIHNRDJAC-UHFFFAOYSA-N 1 0 343.496 3.262 40 0 EGABRO Cc1ccccc1C[N@@H+]1C[C@H]2C[C@H](C(=O)Nc3ccccc3)[C@@H](C1)O2 ZINC000096253397 454313055 /nfs/dbraw/zinc/31/30/55/454313055.db2.gz MFMBUMXRSTZSOS-HSALFYBXSA-N 1 0 336.435 3.223 40 0 EGABRO Cc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2cccc(C)n2)C3)cc1 ZINC000096296310 454317446 /nfs/dbraw/zinc/31/74/46/454317446.db2.gz PYINSGGYEJJWOZ-IBGZPJMESA-N 1 0 348.450 3.251 40 0 biogenic,in-vitro EGABRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1(Cl)Cl ZINC000096432965 454343266 /nfs/dbraw/zinc/34/32/66/454343266.db2.gz BGFZCIWJHPROPP-GJZGRUSLSA-N 1 0 341.282 3.161 40 0 EGABRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)C2 ZINC000090964709 454355944 /nfs/dbraw/zinc/35/59/44/454355944.db2.gz HXGJAMMDBMOKFQ-FZKQIMNGSA-N 1 0 340.423 3.308 40 0 EGABRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(N(C)C)c1 ZINC000096479188 454364442 /nfs/dbraw/zinc/36/44/42/454364442.db2.gz KISFNSIQAOFLPS-HNNXBMFYSA-N 1 0 346.496 3.315 40 0 EGABRO CCc1cnccc1C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000096493674 454369534 /nfs/dbraw/zinc/36/95/34/454369534.db2.gz YOIGJFQVOBIOGK-UHFFFAOYSA-N 1 0 341.430 3.178 40 0 EGABRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccco1 ZINC000097232239 454428957 /nfs/dbraw/zinc/42/89/57/454428957.db2.gz NFZAZTFUNYIKFF-ZBFHGGJFSA-N 1 0 327.428 3.150 40 0 EGABRO Cc1ccc(O[C@@H](C)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000048325628 454474082 /nfs/dbraw/zinc/47/40/82/454474082.db2.gz SQEVYQSXVMMQGW-QFBILLFUSA-N 1 0 326.440 3.181 40 0 EGABRO c1cnc(N[C@H]2CCOC3(CC[NH+](C[C@H]4CC=CCC4)CC3)C2)nc1 ZINC000108534553 454802067 /nfs/dbraw/zinc/80/20/67/454802067.db2.gz NNYWJBKARIBODU-ROUUACIJSA-N 1 0 342.487 3.258 40 0 EGABRO C[S@](=O)Cc1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177724397 454896955 /nfs/dbraw/zinc/89/69/55/454896955.db2.gz IQROQMFFYTUFCQ-FYSMJZIKSA-N 1 0 348.512 3.158 40 0 EGABRO C[NH+]1CCC(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000126885206 454924686 /nfs/dbraw/zinc/92/46/86/454924686.db2.gz ISIOEXDXJYHWAS-UHFFFAOYSA-N 1 0 331.641 3.383 40 0 EGABRO Cc1occc1CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179205627 455019628 /nfs/dbraw/zinc/01/96/28/455019628.db2.gz KASYQRUZOWDAJO-ZWKOTPCHSA-N 1 0 327.428 3.175 40 0 EGABRO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]C2CCC3(CC2)OCCO3)cc1F ZINC000157045871 455162757 /nfs/dbraw/zinc/16/27/57/455162757.db2.gz LZFPSZZKYDIPBF-SJORKVTESA-N 1 0 339.382 3.070 40 0 EGABRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000175336925 455439339 /nfs/dbraw/zinc/43/93/39/455439339.db2.gz DRVSYJOUTSNECA-LRDDRELGSA-N 1 0 340.389 3.442 40 0 EGABRO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000191736670 455515613 /nfs/dbraw/zinc/51/56/13/455515613.db2.gz YDFXWGSSGACZSS-VIFPVBQESA-N 1 0 346.656 3.270 40 0 EGABRO O=C(NCC[C@H]1C[N@@H+](C2CCCC2)Cc2ccnn21)c1ccsc1 ZINC000247522544 455618209 /nfs/dbraw/zinc/61/82/09/455618209.db2.gz YBDIUDJQBLAKDM-INIZCTEOSA-N 1 0 344.484 3.064 40 0 EGABRO CCOc1ccc([C@@H]2SC(=[NH2+])N[C@@H]2[C@@H](O)c2ccccc2)cc1 ZINC000248382080 455709724 /nfs/dbraw/zinc/70/97/24/455709724.db2.gz VVRSZSPECIFBQS-IKGGRYGDSA-N 1 0 328.437 3.290 40 0 EGABRO CN(C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000252509051 455817557 /nfs/dbraw/zinc/81/75/57/455817557.db2.gz YBSVSYSDPNQMMK-NHCUHLMSSA-N 1 0 343.515 3.036 40 0 EGABRO COc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2cccs2)cc1 ZINC000252516819 455819289 /nfs/dbraw/zinc/81/92/89/455819289.db2.gz XBOVYNUCTICSID-CZUORRHYSA-N 1 0 345.468 3.224 40 0 EGABRO CCCC[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000252537410 455820917 /nfs/dbraw/zinc/82/09/17/455820917.db2.gz LBPGTGXYRCEKLJ-DOTOQJQBSA-N 1 0 345.487 3.149 40 0 EGABRO CN1c2ccc(C[NH2+]C[C@@H]3CCOc4ccccc43)cc2CCC1=O ZINC000187226943 455884716 /nfs/dbraw/zinc/88/47/16/455884716.db2.gz PUEKIWYTDNRFKE-KRWDZBQOSA-N 1 0 336.435 3.252 40 0 EGABRO c1cc(CC[C@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)ccn1 ZINC000257314364 455888738 /nfs/dbraw/zinc/88/87/38/455888738.db2.gz UWQCBSZTRZLFBI-LJQANCHMSA-N 1 0 337.471 3.069 40 0 EGABRO Cc1csc(C(=O)N2C[C@H](c3ccccc3)[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000257336729 455894519 /nfs/dbraw/zinc/89/45/19/455894519.db2.gz YPTMWVCCZTYNCJ-BRWVUGGUSA-N 1 0 326.465 3.274 40 0 EGABRO Cn1cncc1-c1cncc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000257332736 455894599 /nfs/dbraw/zinc/89/45/99/455894599.db2.gz XYLRQQGSOMSCLT-OAHLLOKOSA-N 1 0 325.460 3.389 40 0 EGABRO C[C@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1cccc(OC(F)F)c1 ZINC000261627997 455916446 /nfs/dbraw/zinc/91/64/46/455916446.db2.gz CQYGNGLNARSONR-FZMZJTMJSA-N 1 0 326.387 3.243 40 0 EGABRO CCc1noc(C2CCC([NH2+]C[C@@](C)(O)c3ccc(C)o3)CC2)n1 ZINC000195554654 455983875 /nfs/dbraw/zinc/98/38/75/455983875.db2.gz WHUIAXGROJJYNI-WTNGLUPJSA-N 1 0 333.432 3.057 40 0 EGABRO CCCN(C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000272565523 455996070 /nfs/dbraw/zinc/99/60/70/455996070.db2.gz SPZDANOFECWWNF-FUHWJXTLSA-N 1 0 329.488 3.481 40 0 EGABRO CC[C@@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000225562391 456093404 /nfs/dbraw/zinc/09/34/04/456093404.db2.gz MVNQZMFTEHIOQR-HXUWFJFHSA-N 1 0 344.499 3.187 40 0 EGABRO CC1CC[NH+](CCOc2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000225586669 456094259 /nfs/dbraw/zinc/09/42/59/456094259.db2.gz KUTRJMDCNZAALN-UHFFFAOYSA-N 1 0 330.350 3.298 40 0 EGABRO COC1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCCCC1 ZINC000225628623 456100642 /nfs/dbraw/zinc/10/06/42/456100642.db2.gz MDJSVKCOLXZCID-UHFFFAOYSA-N 1 0 334.460 3.305 40 0 EGABRO CN1c2ccccc2C2(CC[NH+](Cc3ccsc3)CC2)S1(=O)=O ZINC000306133394 456567016 /nfs/dbraw/zinc/56/70/16/456567016.db2.gz MKFBODIRDYNRDN-UHFFFAOYSA-N 1 0 348.493 3.019 40 0 EGABRO c1cc2n(n1)[C@H](C[NH+]1CCCC1)CN(Cc1ccc3ccccc3n1)C2 ZINC000306142152 456568072 /nfs/dbraw/zinc/56/80/72/456568072.db2.gz WRNGLFDMVPIOGF-HXUWFJFHSA-N 1 0 347.466 3.084 40 0 EGABRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]CC1=Cc2ccccc2OC1 ZINC000390833892 457445924 /nfs/dbraw/zinc/44/59/24/457445924.db2.gz OOSWAPMAYKNULK-GOSISDBHSA-N 1 0 334.419 3.137 40 0 EGABRO O=C1N(Cc2cncs2)C[C@@]12CCC[N@H+](CC1CCCCC1)C2 ZINC000585099429 459822674 /nfs/dbraw/zinc/82/26/74/459822674.db2.gz IXCWJFIYBDIQLD-SFHVURJKSA-N 1 0 333.501 3.148 40 0 EGABRO Cc1noc(C)c1CN1C[C@]2(CCC[N@H+](CC3CCCCC3)C2)C1=O ZINC000585099452 459823134 /nfs/dbraw/zinc/82/31/34/459823134.db2.gz KRQYETFKACPTCY-HXUWFJFHSA-N 1 0 345.487 3.296 40 0 EGABRO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@H+](CC2CC2)CC3)cs1 ZINC000585100590 459823266 /nfs/dbraw/zinc/82/32/66/459823266.db2.gz OWCQZGSVVMNAIV-GOSISDBHSA-N 1 0 333.501 3.209 40 0 EGABRO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@H+](CC1CC1)CC2 ZINC000585099881 459823442 /nfs/dbraw/zinc/82/34/42/459823442.db2.gz OWDFBWHGJCCBKM-IBGZPJMESA-N 1 0 331.460 3.049 40 0 EGABRO CCCC[N@@H+]1CCOC[C@@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585104174 459823751 /nfs/dbraw/zinc/82/37/51/459823751.db2.gz KARFDFLZSABCRA-XLIONFOSSA-N 1 0 330.472 3.099 40 0 EGABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000585286391 459833190 /nfs/dbraw/zinc/83/31/90/459833190.db2.gz XKNJCJHAINOPKH-XUVXKRRUSA-N 1 0 347.405 3.458 40 0 EGABRO CCCC(CCC)[N@@H+]1CCOC[C@](O)(COc2cccc(C)c2)C1 ZINC000585288115 459833408 /nfs/dbraw/zinc/83/34/08/459833408.db2.gz WOGDQMVGDMHTMW-FQEVSTJZSA-N 1 0 335.488 3.406 40 0 EGABRO O=C(c1ccc(Cl)s1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575607710 459980881 /nfs/dbraw/zinc/98/08/81/459980881.db2.gz ORZTXBMMQGVVTE-UHFFFAOYSA-N 1 0 344.933 3.445 40 0 EGABRO CC[NH+]1CCN(c2cccc(NC(=O)Nc3ccc(O)cc3)c2)CC1 ZINC000190307988 527709347 /nfs/dbraw/zinc/70/93/47/527709347.db2.gz DUVMKAITHRZBFP-UHFFFAOYSA-N 1 0 340.427 3.178 40 0 EGABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCc2ccccn2)c1 ZINC000257260394 536022391 /nfs/dbraw/zinc/02/23/91/536022391.db2.gz LCRCTRGQOBTDDX-UHFFFAOYSA-N 1 0 346.434 3.135 40 0 EGABRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N2CCOC2=O)cc1 ZINC000134798003 546831113 /nfs/dbraw/zinc/83/11/13/546831113.db2.gz VFJODHIIHONNLJ-RUGDWHBFSA-N 1 0 342.439 3.251 40 0 EGABRO COCCn1ccnc1[C@H]1C[N@H+](Cc2cccnc2)Cc2ccccc21 ZINC000306128488 547459811 /nfs/dbraw/zinc/45/98/11/547459811.db2.gz HBNDUEMRHWWPOW-FQEVSTJZSA-N 1 0 348.450 3.072 40 0 EGABRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1C1CC1 ZINC000584908316 548098873 /nfs/dbraw/zinc/09/88/73/548098873.db2.gz RUOUJZUPTDCKNX-CQSZACIVSA-N 1 0 344.480 3.404 40 0 EGABRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C)c(C)c2)c1 ZINC000067010553 215104607 /nfs/dbraw/zinc/10/46/07/215104607.db2.gz RYOQGYNVFNERRP-HNNXBMFYSA-N 1 0 332.469 3.062 40 0 EGABRO COc1cc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)ccc1SC ZINC000068802487 215335428 /nfs/dbraw/zinc/33/54/28/215335428.db2.gz VJCIXRZKBSIMRV-UHFFFAOYSA-N 1 0 348.512 3.252 40 0 EGABRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1 ZINC000040107538 213266161 /nfs/dbraw/zinc/26/61/61/213266161.db2.gz UKWFRUVJIVUHII-GFCCVEGCSA-N 1 0 325.250 3.053 40 0 EGABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000038756840 213223961 /nfs/dbraw/zinc/22/39/61/213223961.db2.gz RRNWUSWEINMQJU-SFHVURJKSA-N 1 0 336.451 3.221 40 0 EGABRO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH+]3CCN(C)CC3)C=C2C)o1 ZINC000035442626 213028658 /nfs/dbraw/zinc/02/86/58/213028658.db2.gz ZNUWNORLVAVMTE-FHWLQOOXSA-N 1 0 346.519 3.023 40 0 biogenic,in-vitro EGABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)c1 ZINC000072355457 216164239 /nfs/dbraw/zinc/16/42/39/216164239.db2.gz UWECRXQFGCUGNT-SFHVURJKSA-N 1 0 333.439 3.350 40 0 EGABRO O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(-c2ccccn2)[nH]1 ZINC000072392827 216191472 /nfs/dbraw/zinc/19/14/72/216191472.db2.gz ADGGGRNIBMGSJN-UHFFFAOYSA-N 1 0 347.422 3.019 40 0 EGABRO COc1ccccc1C[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392318 216190672 /nfs/dbraw/zinc/19/06/72/216190672.db2.gz LWVNTWLGMHQVSH-UHFFFAOYSA-N 1 0 345.406 3.090 40 0 EGABRO Cc1c([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C(C)C ZINC000191285594 239017205 /nfs/dbraw/zinc/01/72/05/239017205.db2.gz KVEZFVINHICKCP-ZFWWWQNUSA-N 1 0 336.480 3.432 40 0 EGABRO Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000195558545 241007808 /nfs/dbraw/zinc/00/78/08/241007808.db2.gz SXYFTLWLHQWLEY-ZDUSSCGKSA-N 1 0 325.478 3.331 40 0 EGABRO CCCOC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225726935 242008946 /nfs/dbraw/zinc/00/89/46/242008946.db2.gz NRWVSXFIQAGOSM-UHFFFAOYSA-N 1 0 334.460 3.305 40 0 EGABRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](c2ccccc2C)C2CC2)C1 ZINC000230121486 242234147 /nfs/dbraw/zinc/23/41/47/242234147.db2.gz DKPQSDKITIUUOI-APWZRJJASA-N 1 0 329.488 3.429 40 0 EGABRO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)COc1ccc(Cl)cc1Cl)C2 ZINC000020607709 212153621 /nfs/dbraw/zinc/15/36/21/212153621.db2.gz CNHHVAAZAAYORM-YHWZYXNKSA-N 1 0 343.254 3.114 40 0 EGABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2sccc2C)n1 ZINC000257235511 244227322 /nfs/dbraw/zinc/22/73/22/244227322.db2.gz GYDYUOCRZIRACF-KRWDZBQOSA-N 1 0 329.469 3.425 40 0 EGABRO C[C@]12CCCN(C(=O)COc3ccccc3Cl)[C@H]1CCCC[NH2+]2 ZINC000257238721 244234704 /nfs/dbraw/zinc/23/47/04/244234704.db2.gz HMGMXOZEDZBKAZ-WMZOPIPTSA-N 1 0 336.863 3.242 40 0 EGABRO c1ncc(C[N@H+]2CCC[C@@H](Cc3cccc(Nc4ccccn4)n3)C2)[nH]1 ZINC000257247996 244260525 /nfs/dbraw/zinc/26/05/25/244260525.db2.gz JBOSIGAWUTWZCX-INIZCTEOSA-N 1 0 348.454 3.398 40 0 EGABRO [NH3+][C@@H]1CCC[C@@H](Oc2ccc(F)cc2Oc2cccc(F)c2)[C@@H]1O ZINC000257261645 244349030 /nfs/dbraw/zinc/34/90/30/244349030.db2.gz LIGAJERZOFKIGH-QGPMSJSTSA-N 1 0 335.350 3.377 40 0 EGABRO Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N(C[C@@H](C)[NH3+])C2=O ZINC000019923442 212084854 /nfs/dbraw/zinc/08/48/54/212084854.db2.gz DUUHEMHBESXJJS-KUHUBIRLSA-N 1 0 346.434 3.073 40 0 EGABRO C[NH+](C)Cc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000019657467 212054357 /nfs/dbraw/zinc/05/43/57/212054357.db2.gz VKEGRDUEQDQVLG-UHFFFAOYSA-N 1 0 333.435 3.428 40 0 EGABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)no1 ZINC000019503683 212035057 /nfs/dbraw/zinc/03/50/57/212035057.db2.gz VTVSHGHHCBZGDF-OAHLLOKOSA-N 1 0 345.418 3.333 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cnn(Cc2ccc(F)cc2)c1 ZINC000019500970 212033739 /nfs/dbraw/zinc/03/37/39/212033739.db2.gz PZUMMVAOJBKZEQ-SFHVURJKSA-N 1 0 344.434 3.274 40 0 EGABRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3)C2)c(OC)c1OC ZINC000078604203 217085624 /nfs/dbraw/zinc/08/56/24/217085624.db2.gz PWPBGLVZDFPWOR-INIZCTEOSA-N 1 0 342.439 3.081 40 0 EGABRO CCO[C@H]1CCCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000079336495 217211256 /nfs/dbraw/zinc/21/12/56/217211256.db2.gz BMRRNBUDNBKPHC-IBGZPJMESA-N 1 0 330.472 3.312 40 0 EGABRO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000079354175 217214101 /nfs/dbraw/zinc/21/41/01/217214101.db2.gz FBPLIBPHGBXQDU-HOTGVXAUSA-N 1 0 338.517 3.076 40 0 EGABRO Cc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1-c1ncco1 ZINC000110702536 220058332 /nfs/dbraw/zinc/05/83/32/220058332.db2.gz XWBXTFFWTFBVKN-GDBMZVCRSA-N 1 0 340.427 3.350 40 0 EGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccccc1Br)C(C)C ZINC000079421029 217223756 /nfs/dbraw/zinc/22/37/56/217223756.db2.gz FTGBDHKWZYXBQJ-AWEZNQCLSA-N 1 0 327.266 3.169 40 0 EGABRO O=C(CC[N@H+]1CCC[C@@H]1CCCO)Nc1cccc(C(F)(F)F)c1 ZINC000083173955 217521060 /nfs/dbraw/zinc/52/10/60/217521060.db2.gz ZMIDOHWKYVFNRZ-OAHLLOKOSA-N 1 0 344.377 3.271 40 0 EGABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1cn(CC)c2ccccc12 ZINC000012362834 211356018 /nfs/dbraw/zinc/35/60/18/211356018.db2.gz TUXCUGBKDCLIQE-KRWDZBQOSA-N 1 0 327.472 3.194 40 0 EGABRO Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]C(C)(C)C)cc12 ZINC000012325237 211349531 /nfs/dbraw/zinc/34/95/31/211349531.db2.gz FJWOTCXPXIKCDO-UHFFFAOYSA-N 1 0 328.391 3.049 40 0 EGABRO C[C@@H]1Cc2cc([C@@H](O)C[NH+]3CCCC3)ccc2N1C(=O)C(C)(C)C ZINC000012181140 211310419 /nfs/dbraw/zinc/31/04/19/211310419.db2.gz WTNACWRXGAWWKC-KDOFPFPSSA-N 1 0 330.472 3.140 40 0 EGABRO COc1ccc(C[NH+]2CCC(Cn3nc(C)cc3C)CC2)cc1OC ZINC000093273609 218210176 /nfs/dbraw/zinc/21/01/76/218210176.db2.gz SGWUXAGTJVMJTR-UHFFFAOYSA-N 1 0 343.471 3.429 40 0 EGABRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccsc1 ZINC000094992881 218271374 /nfs/dbraw/zinc/27/13/74/218271374.db2.gz NSVTYIDQPAJLEP-CYBMUJFWSA-N 1 0 347.465 3.497 40 0 EGABRO CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000008938779 211020211 /nfs/dbraw/zinc/02/02/11/211020211.db2.gz BQDFTDQDRJLVSK-UHFFFAOYSA-N 1 0 339.439 3.148 40 0 EGABRO CS(=O)(=O)CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCc2ccccc21 ZINC000095413944 218352028 /nfs/dbraw/zinc/35/20/28/218352028.db2.gz GMYMFWXGMSIVJE-MOPGFXCFSA-N 1 0 335.513 3.396 40 0 EGABRO CC(C)(C)c1ncc(/C=C/C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000096430655 218804428 /nfs/dbraw/zinc/80/44/28/218804428.db2.gz UFXKICQJXXQLDU-KTRBRXNASA-N 1 0 333.501 3.054 40 0 EGABRO COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3CC(C)C)cc1 ZINC000004886560 210311841 /nfs/dbraw/zinc/31/18/41/210311841.db2.gz PLZATTPCONYGHF-AYHJJNSGSA-N 1 0 330.472 3.467 40 0 EGABRO CC[C@H](C)NC1=C2C=C([C@@H]3COc4ccccc4O3)S[C@H]2[NH+]=CN1 ZINC000004867402 210306174 /nfs/dbraw/zinc/30/61/74/210306174.db2.gz PPXWTWAXMMMNJH-ZQUVKOLYSA-N 1 0 343.452 3.228 40 0 EGABRO CC(=O)NC1CCC([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000097379305 219020556 /nfs/dbraw/zinc/02/05/56/219020556.db2.gz ZBFNELZHAZQOQU-XVAXZDLZSA-N 1 0 343.515 3.078 40 0 EGABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[NH2+]CCO ZINC000118918634 221204344 /nfs/dbraw/zinc/20/43/44/221204344.db2.gz CYTBXDOJKXVHPC-OIFNNXFWSA-N 1 0 335.532 3.341 40 0 EGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C[NH3+])[C@H]2c2ccc(Cl)cc2)cc1 ZINC000252515806 257659072 /nfs/dbraw/zinc/65/90/72/257659072.db2.gz NTOUEURIXZHWAP-GVDBMIGSSA-N 1 0 335.856 3.163 40 0 EGABRO CC(C)NC(=O)c1ccc2c(c1)C1(CCO2)CC[NH+](CC2CC2)CC1 ZINC000306128762 257919346 /nfs/dbraw/zinc/91/93/46/257919346.db2.gz HJXVRROJODCSAK-UHFFFAOYSA-N 1 0 342.483 3.351 40 0 EGABRO O=C1N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)Nc2ccccc21 ZINC000072326853 275024514 /nfs/dbraw/zinc/02/45/14/275024514.db2.gz PURXELHQIVUYIF-HGHGUNKESA-N 1 0 333.435 3.080 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@@H](c1ccccc1)[C@@H](O)[C@H]1CC=CCC1 ZINC000001593601 276099578 /nfs/dbraw/zinc/09/95/78/276099578.db2.gz HRCOKXUTLNEIOQ-UFYCRDLUSA-N 1 0 345.483 3.372 40 0 EGABRO C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)[C@@H]2c1ccccc1 ZINC000001688573 289898787 /nfs/dbraw/zinc/89/87/87/289898787.db2.gz LCVKLTSVIZBQFL-IBGZPJMESA-N 1 0 348.446 3.051 40 0 EGABRO Cc1cc(Br)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000128188716 323218890 /nfs/dbraw/zinc/21/88/90/323218890.db2.gz IUHKUBUZPWRXPR-IUODEOHRSA-N 1 0 339.277 3.312 40 0 EGABRO CC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)C[C@@H]1C(=O)c1ccccc1 ZINC000001681672 452675290 /nfs/dbraw/zinc/67/52/90/452675290.db2.gz NFJIYNMGCOTJRP-CTNGQTDRSA-N 1 0 337.419 3.280 40 0 EGABRO Cc1c([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cnn1-c1cccc(Cl)c1 ZINC000183584793 455308486 /nfs/dbraw/zinc/30/84/86/455308486.db2.gz DJRQCZMFMOOREW-DUVNUKRYSA-N 1 0 331.847 3.422 40 0 EGABRO O=CN1CCC[C@@H]2[C@H]3CC[C@@H]([C@@H]21)[C@H]1c2[nH]c4ccccc4c2CCN31 ZINC000004026991 452790797 /nfs/dbraw/zinc/79/07/97/452790797.db2.gz VKPFCELVPNZDPK-VFNKJPDQSA-N 1 0 335.451 3.096 40 0 EGABRO Cc1csc2nc(C[N@@H+]3CCC[C@H]3c3cccs3)cc(=O)n12 ZINC000008036338 453152753 /nfs/dbraw/zinc/15/27/53/453152753.db2.gz HIQDNSKHYMPRPF-ZDUSSCGKSA-N 1 0 331.466 3.463 40 0 EGABRO COc1cccc(CNCCC[NH+](C)C)c1OCc1ccc(F)cc1 ZINC000008373898 453197458 /nfs/dbraw/zinc/19/74/58/453197458.db2.gz REPVZGFLNSGCJX-UHFFFAOYSA-N 1 0 346.446 3.455 40 0 EGABRO C[N@@H+]1CCc2cc(Br)c(O)cc2[C@H](c2ccc(N)cc2)C1 ZINC000013446580 453465220 /nfs/dbraw/zinc/46/52/20/453465220.db2.gz JJKVHQGSRGJOOG-HNNXBMFYSA-N 1 0 347.256 3.357 40 0 EGABRO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3C3CCCCC3)n2)cc1 ZINC000015674683 453582392 /nfs/dbraw/zinc/58/23/92/453582392.db2.gz SSXNQUZLAXSEPW-WBVHZDCISA-N 1 0 343.427 3.186 40 0 biogenic,in-vitro EGABRO Cc1cc2nc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)cc(N)n2n1 ZINC000019129171 453654378 /nfs/dbraw/zinc/65/43/78/453654378.db2.gz PMVGHCOUYVTJGO-QGZVFWFLSA-N 1 0 335.455 3.042 40 0 EGABRO Cn1cc([C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000019290385 453655225 /nfs/dbraw/zinc/65/52/25/453655225.db2.gz IYTQGOGZEJHAGQ-NRFANRHFSA-N 1 0 335.451 3.034 40 0 EGABRO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000019237573 453655614 /nfs/dbraw/zinc/65/56/14/453655614.db2.gz PRBXNFMDAVTLIY-SFHVURJKSA-N 1 0 326.488 3.181 40 0 EGABRO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1cccnc1 ZINC000032502455 453876315 /nfs/dbraw/zinc/87/63/15/453876315.db2.gz ZRAIOIPIVGYVOF-UHFFFAOYSA-N 1 0 349.438 3.170 40 0 EGABRO Cc1ccc(C)c([C@H](O)C[NH+]2CCC(CC(=O)N(C)C(C)C)CC2)c1 ZINC000075639797 453914124 /nfs/dbraw/zinc/91/41/24/453914124.db2.gz QBHBKPMWXWKWRX-HXUWFJFHSA-N 1 0 346.515 3.306 40 0 EGABRO CO[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000067267505 453915765 /nfs/dbraw/zinc/91/57/65/453915765.db2.gz UIXSNYXSNQXSTR-RBUKOAKNSA-N 1 0 326.440 3.102 40 0 EGABRO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000077611926 454130811 /nfs/dbraw/zinc/13/08/11/454130811.db2.gz SAZINDBTUUMOLD-DLBZAZTESA-N 1 0 335.879 3.179 40 0 EGABRO Fc1cccnc1N[C@H]1CO[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096047636 454269844 /nfs/dbraw/zinc/26/98/44/454269844.db2.gz OSNRCXSBVAZSAT-PBHICJAKSA-N 1 0 333.432 3.128 40 0 EGABRO Cc1ccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccs2)C3)nn1 ZINC000096048436 454271714 /nfs/dbraw/zinc/27/17/14/454271714.db2.gz AWXCJRFHAIIYDH-QAPCUYQASA-N 1 0 344.484 3.082 40 0 EGABRO Fc1cccc(O[C@@H]2C[C@@H]3CN(Cc4cccs4)CC[N@@H+]3C2)c1 ZINC000096055132 454273982 /nfs/dbraw/zinc/27/39/82/454273982.db2.gz DMCBCGNLDSUMOU-NVXWUHKLSA-N 1 0 332.444 3.225 40 0 EGABRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 ZINC000096056371 454274501 /nfs/dbraw/zinc/27/45/01/454274501.db2.gz HLNIKLLWBFJUPU-AQNXPRMDSA-N 1 0 344.430 3.283 40 0 EGABRO O=C(c1cccs1)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053897 454274956 /nfs/dbraw/zinc/27/49/56/454274956.db2.gz VZOJFFWUIFFCIS-GASCZTMLSA-N 1 0 330.428 3.091 40 0 EGABRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]2CCCO[C@H]12 ZINC000096057139 454275415 /nfs/dbraw/zinc/27/54/15/454275415.db2.gz VVSWOLXPCYABEM-IPELMVKDSA-N 1 0 346.496 3.453 40 0 EGABRO Cc1ccsc1C[N@@H+]1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096065958 454278364 /nfs/dbraw/zinc/27/83/64/454278364.db2.gz YTQDTYSOKXCLBZ-LMMKCTJWSA-N 1 0 344.480 3.400 40 0 EGABRO c1c2c(nn1CC1CCOCC1)[C@H](C[NH2+]CC1CCCCC1)OCC2 ZINC000096068176 454278779 /nfs/dbraw/zinc/27/87/79/454278779.db2.gz PBPNWMYQNGNNAF-IBGZPJMESA-N 1 0 347.503 3.093 40 0 EGABRO c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOC1)CC21CCN(c2cccnc2)CC1 ZINC000096079018 454280416 /nfs/dbraw/zinc/28/04/16/454280416.db2.gz GXVCHHMBYMRFIC-UWJYYQICSA-N 1 0 349.478 3.443 40 0 EGABRO FC(F)(F)c1[nH]c2ncccc2c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000072393710 454294920 /nfs/dbraw/zinc/29/49/20/454294920.db2.gz HSECZTVICRJWBE-GFCCVEGCSA-N 1 0 338.377 3.252 40 0 EGABRO Cc1ncc([C@@H](C)[NH2+]C[C@H](c2ccccc2)N2CCOCC2)s1 ZINC000090401225 454300634 /nfs/dbraw/zinc/30/06/34/454300634.db2.gz SCDANNFCYZSZIO-RHSMWYFYSA-N 1 0 331.485 3.176 40 0 EGABRO O=C(C1CC1)N1CCC2(CC[C@@H](COCC3CC3)[N@@H+]2CC2CC2)CC1 ZINC000096207333 454303944 /nfs/dbraw/zinc/30/39/44/454303944.db2.gz NGZJBLHLYKWNRA-IBGZPJMESA-N 1 0 346.515 3.059 40 0 EGABRO CCOC[C@H]1CCC2(CCN(C(=O)c3ccc(C)s3)CC2)[N@@H+]1C ZINC000096207229 454304264 /nfs/dbraw/zinc/30/42/64/454304264.db2.gz KWVTZLVIPTVART-OAHLLOKOSA-N 1 0 336.501 3.162 40 0 EGABRO CCOC[C@@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)[N@@H+]1CC1CC1 ZINC000096208001 454304513 /nfs/dbraw/zinc/30/45/13/454304513.db2.gz HZUUCYAGGBLXEM-SFHVURJKSA-N 1 0 346.471 3.165 40 0 EGABRO COC[C@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)[N@@H+]1CC1CC1 ZINC000096207189 454304601 /nfs/dbraw/zinc/30/46/01/454304601.db2.gz XURDFFNVSCRFHX-LJQANCHMSA-N 1 0 342.483 3.182 40 0 EGABRO c1cc(COC[C@H]2COCCC23CC[NH+](C2CCC2)CC3)ccn1 ZINC000096217704 454307354 /nfs/dbraw/zinc/30/73/54/454307354.db2.gz PUWNAGMCBHTKSA-GOSISDBHSA-N 1 0 330.472 3.269 40 0 EGABRO Cc1cccc(C[NH+]2CCC3(CC[C@H](C(=O)NC(C)C)C3)CC2)n1 ZINC000096227845 454308796 /nfs/dbraw/zinc/30/87/96/454308796.db2.gz CAAJTGGNEIDVPR-KRWDZBQOSA-N 1 0 329.488 3.297 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccnc4)C3)C2)s1 ZINC000096239104 454310082 /nfs/dbraw/zinc/31/00/82/454310082.db2.gz RKMMRKHODKCLFT-GOSISDBHSA-N 1 0 327.453 3.081 40 0 EGABRO CC(C)[N@@H+]1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC000096259834 454314673 /nfs/dbraw/zinc/31/46/73/454314673.db2.gz NXYPNWGJDOWSJU-UHFFFAOYSA-N 1 0 326.444 3.034 40 0 EGABRO Fc1ccc(-c2cnc3n2C[C@H](C[NH2+]Cc2cccs2)OC3)cc1 ZINC000096296377 454316754 /nfs/dbraw/zinc/31/67/54/454316754.db2.gz GJAVIODCFNYSKZ-HNNXBMFYSA-N 1 0 343.427 3.439 40 0 biogenic,in-vitro EGABRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000090541505 454318203 /nfs/dbraw/zinc/31/82/03/454318203.db2.gz MZEFXJUDTNUWJP-TXPKVOOTSA-N 1 0 348.512 3.356 40 0 EGABRO Cc1nc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)cs1 ZINC000096461408 454359390 /nfs/dbraw/zinc/35/93/90/454359390.db2.gz HDTKYFYKDSSSSB-UHFFFAOYSA-N 1 0 331.485 3.268 40 0 EGABRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2sc(C)nc2C)cc1 ZINC000096478498 454363552 /nfs/dbraw/zinc/36/35/52/454363552.db2.gz XCTRDPSJNXNVDV-NSHDSACASA-N 1 0 333.457 3.275 40 0 EGABRO C[C@@H]1C[C@H](CNC(=O)c2ccc(O)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000097100842 454406129 /nfs/dbraw/zinc/40/61/29/454406129.db2.gz ADKJFEHFRDJDMB-GDBMZVCRSA-N 1 0 342.414 3.172 40 0 EGABRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000247257977 455580298 /nfs/dbraw/zinc/58/02/98/455580298.db2.gz YYENXIUWGHCNDJ-FOIQADDNSA-N 1 0 345.437 3.403 40 0 EGABRO Cc1cccc(CO[C@H]2CCOC3(C[NH+](CC4CCCC4)C3)C2)n1 ZINC000247865210 455651188 /nfs/dbraw/zinc/65/11/88/455651188.db2.gz ILZPYMPNMNPLAJ-IBGZPJMESA-N 1 0 330.472 3.330 40 0 EGABRO C[N@H+](CCOC[C@H]1CCCO1)[C@H](c1ccccc1)c1ccccn1 ZINC000247999090 455668243 /nfs/dbraw/zinc/66/82/43/455668243.db2.gz NFDUSHVADZQGKA-UYAOXDASSA-N 1 0 326.440 3.298 40 0 EGABRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)on1 ZINC000248714050 455727472 /nfs/dbraw/zinc/72/74/72/455727472.db2.gz DKAOFWMTQNYOIH-UXLLHSPISA-N 1 0 343.427 3.068 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCC2CCC2)C1 ZINC000251975329 455801196 /nfs/dbraw/zinc/80/11/96/455801196.db2.gz DGJMIOUXNXTKSN-UXHICEINSA-N 1 0 348.487 3.479 40 0 EGABRO O=C(NCC1CC[NH+](C2CCSCC2)CC1)Nc1cccs1 ZINC000252548731 455821984 /nfs/dbraw/zinc/82/19/84/455821984.db2.gz QIHFYAJUSSGGSZ-UHFFFAOYSA-N 1 0 339.530 3.477 40 0 EGABRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3cccs3)[C@H](C)C2)s1 ZINC000253419198 455843127 /nfs/dbraw/zinc/84/31/27/455843127.db2.gz KNUSFRODRIGBHN-BXUZGUMPSA-N 1 0 335.498 3.153 40 0 EGABRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3cccs3)[C@H](C)C2)s1 ZINC000253419205 455843589 /nfs/dbraw/zinc/84/35/89/455843589.db2.gz KNUSFRODRIGBHN-RISCZKNCSA-N 1 0 335.498 3.153 40 0 EGABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3c(C)onc3C(C)C)C2)c1 ZINC000257282169 455881161 /nfs/dbraw/zinc/88/11/61/455881161.db2.gz OSRBEUMUBXYMHN-CQSZACIVSA-N 1 0 342.443 3.481 40 0 EGABRO Cn1cc(CCC(=O)N2CC[C@@H]3[NH2+]CCCCC[C@H]32)c2ccccc21 ZINC000257284713 455882818 /nfs/dbraw/zinc/88/28/18/455882818.db2.gz PDXVXQGZBPNNRW-AZUAARDMSA-N 1 0 339.483 3.244 40 0 EGABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCc2cccc(F)c2)c1 ZINC000257287289 455882838 /nfs/dbraw/zinc/88/28/38/455882838.db2.gz PPIBFCBZNUVZIL-UHFFFAOYSA-N 1 0 335.382 3.276 40 0 EGABRO CCCn1nccc1-c1nccnc1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000257315391 455889171 /nfs/dbraw/zinc/88/91/71/455889171.db2.gz VBCSTIJJWHJSAU-MRXNPFEDSA-N 1 0 327.476 3.413 40 0 EGABRO CN(C)Cc1nccnc1C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000257324784 455891969 /nfs/dbraw/zinc/89/19/69/455891969.db2.gz WQDGEQBUGUMLNM-UHFFFAOYSA-N 1 0 342.462 3.099 40 0 EGABRO COc1ccc(C[NH+]2CCC3(CC2)OCCC[C@@H]3O)c2ccccc12 ZINC000257332108 455894086 /nfs/dbraw/zinc/89/40/86/455894086.db2.gz XVUQHEHVFZLCFN-FQEVSTJZSA-N 1 0 341.451 3.354 40 0 EGABRO CCC(=O)N1CC[C@H]([NH2+][C@@H](CN2CCC(C)CC2)c2cccs2)C1 ZINC000195560742 455984573 /nfs/dbraw/zinc/98/45/73/455984573.db2.gz REECEDYQQWGGIK-IRXDYDNUSA-N 1 0 349.544 3.122 40 0 EGABRO Cc1nc(CN[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c(C)s1 ZINC000195561752 455985255 /nfs/dbraw/zinc/98/52/55/455985255.db2.gz NNMVRMQLBRVUEW-LBPRGKRZSA-N 1 0 338.498 3.020 40 0 EGABRO Cc1nc(CN[C@H](C)CS(=O)(=O)c2ccc(C)cc2)c(C)s1 ZINC000195561754 455985397 /nfs/dbraw/zinc/98/53/97/455985397.db2.gz NNMVRMQLBRVUEW-GFCCVEGCSA-N 1 0 338.498 3.020 40 0 EGABRO S=C(Nc1ccccc1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000225209810 456074906 /nfs/dbraw/zinc/07/49/06/456074906.db2.gz WACBNXXFOBXCQE-UHFFFAOYSA-N 1 0 337.492 3.168 40 0 EGABRO CCc1ccccc1NC(=S)N1CC[NH+](C2CCSCC2)CC1 ZINC000225217511 456075902 /nfs/dbraw/zinc/07/59/02/456075902.db2.gz UWHFTXYNPCLWDF-UHFFFAOYSA-N 1 0 349.569 3.459 40 0 EGABRO COc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCc1c(C)nn(C)c1C ZINC000225581448 456094479 /nfs/dbraw/zinc/09/44/79/456094479.db2.gz KSRMZBZGRAICIK-LJQANCHMSA-N 1 0 343.471 3.482 40 0 EGABRO CC(=O)c1ccc(N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)nc1 ZINC000225603858 456097005 /nfs/dbraw/zinc/09/70/05/456097005.db2.gz TZXUTZGUHGSCQN-OAHLLOKOSA-N 1 0 344.484 3.007 40 0 EGABRO c1cncc(-c2ccc3nc([C@@H]4CCC[N@@H+](CC5CC5)C4)nn3c2)c1 ZINC000306135952 456567087 /nfs/dbraw/zinc/56/70/87/456567087.db2.gz PFBTYHUAGIAKTM-GOSISDBHSA-N 1 0 333.439 3.381 40 0 EGABRO c1coc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 ZINC000306142534 456567935 /nfs/dbraw/zinc/56/79/35/456567935.db2.gz XCFWTVFCTJHADM-SFHVURJKSA-N 1 0 341.436 3.380 40 0 EGABRO Cc1cc(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)no1 ZINC000329084023 456830154 /nfs/dbraw/zinc/83/01/54/456830154.db2.gz SZFUSWQLGQVIBL-KURKYZTESA-N 1 0 339.439 3.002 40 0 EGABRO O=C(c1cccc(F)c1)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408609781 457583496 /nfs/dbraw/zinc/58/34/96/457583496.db2.gz ORPMJTGUCZTKRA-HXUWFJFHSA-N 1 0 338.426 3.489 40 0 EGABRO CNC(=O)C[C@@H]1Cn2cccc2CN(Cc2cccc3ccccc32)C1 ZINC000585099127 459822659 /nfs/dbraw/zinc/82/26/59/459822659.db2.gz OCJRSNCGEDFZDR-KRWDZBQOSA-N 1 0 347.462 3.409 40 0 EGABRO CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2c(C)noc2C)CC1 ZINC000585099893 459822842 /nfs/dbraw/zinc/82/28/42/459822842.db2.gz VBTZSIZKKYLBQH-AUUYWEPGSA-N 1 0 333.476 3.437 40 0 EGABRO c1ccc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)cc1 ZINC000585104327 459823909 /nfs/dbraw/zinc/82/39/09/459823909.db2.gz HDPLVMFQMJVWDD-SFHVURJKSA-N 1 0 326.465 3.358 40 0 EGABRO Cc1cc(C)cc(C(=O)N2CC[C@@H]3C[N@H+](Cc4cccnc4)C[C@H]32)c1 ZINC000585107639 459825397 /nfs/dbraw/zinc/82/53/97/459825397.db2.gz BVOBNCZWKLZVHS-UYAOXDASSA-N 1 0 335.451 3.045 40 0 EGABRO FC(F)(F)c1ccc2ncc(-c3cncc([C@H]4CCC[NH2+]C4)n3)n2c1 ZINC000585262917 459832547 /nfs/dbraw/zinc/83/25/47/459832547.db2.gz PEPWEWQXKPRZCF-NSHDSACASA-N 1 0 347.344 3.277 40 0 EGABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCN(C)C2CCCC2)[C@H]1O ZINC000585289901 459833884 /nfs/dbraw/zinc/83/38/84/459833884.db2.gz WTXPJZHYKWOUFX-CEWLAPEOSA-N 1 0 346.515 3.120 40 0 EGABRO CCO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)C1CC1 ZINC000225723803 535544540 /nfs/dbraw/zinc/54/45/40/535544540.db2.gz VFYOUSGNJLWVOL-LJQANCHMSA-N 1 0 334.460 3.161 40 0 EGABRO C[NH+]1CCN(c2ccc(NC(=O)CCCc3ccccc3)cc2)CC1 ZINC000040130786 536421966 /nfs/dbraw/zinc/42/19/66/536421966.db2.gz XWXVEKOJRWJLHC-UHFFFAOYSA-N 1 0 337.467 3.400 40 0 EGABRO C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)Cc1nncn1C ZINC000096490681 546690514 /nfs/dbraw/zinc/69/05/14/546690514.db2.gz QMGIYTUUSCIMSH-OAHLLOKOSA-N 1 0 346.438 3.347 40 0 EGABRO O=C1C[C@@H](c2ccccc2)N(Cc2cc(O)cc(Cl)c2)CCN1 ZINC000891727309 1305148048 /nfs/dbraw/zinc/14/80/48/1305148048.db2.gz HIKHNCGOAGZOJT-KRWDZBQOSA-N 1 0 330.815 3.109 40 0 EGABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000100750282 219106101 /nfs/dbraw/zinc/10/61/01/219106101.db2.gz GXMXIGPYLUTSHV-ZRGWGRIASA-N 1 0 341.430 3.457 40 0 EGABRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C3CCCCC3)cc2)CC1 ZINC000040115263 213268304 /nfs/dbraw/zinc/26/83/04/213268304.db2.gz UBOYOLYZXBJFQE-UHFFFAOYSA-N 1 0 343.515 3.021 40 0 EGABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(F)ccc1F ZINC000036630210 213105632 /nfs/dbraw/zinc/10/56/32/213105632.db2.gz VSWQHJIJADXDQF-UHFFFAOYSA-N 1 0 330.378 3.491 40 0 EGABRO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CC[N@@H+](C(C)C)C3)n2)n1 ZINC000072382390 216182452 /nfs/dbraw/zinc/18/24/52/216182452.db2.gz XXIVXUJICBYFMZ-HNNXBMFYSA-N 1 0 326.448 3.133 40 0 EGABRO O=c1cc(C2CC[NH+](Cc3ccccn3)CC2)nc(-c2ccccn2)[nH]1 ZINC000072392833 216191338 /nfs/dbraw/zinc/19/13/38/216191338.db2.gz PNVFOATUXQKTSZ-UHFFFAOYSA-N 1 0 347.422 3.019 40 0 EGABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1cnc(C)n1C ZINC000022913602 212332294 /nfs/dbraw/zinc/33/22/94/212332294.db2.gz LMWNYAWYCYVLJM-INIZCTEOSA-N 1 0 332.517 3.277 40 0 EGABRO Clc1ccc(-c2ccc3nnc([C@@H]4CC[NH2+]C4)n3n2)c(Cl)c1 ZINC000217558609 241259079 /nfs/dbraw/zinc/25/90/79/241259079.db2.gz HJTHJWSHMGXKAJ-SECBINFHSA-N 1 0 334.210 3.175 40 0 EGABRO [NH3+][C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218592391 241332524 /nfs/dbraw/zinc/33/25/24/241332524.db2.gz LCTJGKALHGAFFD-ZNMIVQPWSA-N 1 0 342.247 3.260 40 0 EGABRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cc2ccccc2o1 ZINC000225562281 241930055 /nfs/dbraw/zinc/93/00/55/241930055.db2.gz NINDVNHEBSRANC-UHFFFAOYSA-N 1 0 342.439 3.054 40 0 EGABRO Cc1ccc(CC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cn1 ZINC000225791080 242038618 /nfs/dbraw/zinc/03/86/18/242038618.db2.gz BFCWYKOLRLIJTG-QGZVFWFLSA-N 1 0 331.847 3.005 40 0 EGABRO COc1cccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000225727089 242008313 /nfs/dbraw/zinc/00/83/13/242008313.db2.gz POXVETSLKITWQH-GJZGRUSLSA-N 1 0 335.517 3.350 40 0 EGABRO Cc1cccnc1NC(=S)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000225744247 242015451 /nfs/dbraw/zinc/01/54/51/242015451.db2.gz LTVVLYXHBBENTJ-UHFFFAOYSA-N 1 0 340.496 3.125 40 0 EGABRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236914123 242408212 /nfs/dbraw/zinc/40/82/12/242408212.db2.gz KTHLLHXFLKYUMD-GXFFZTMASA-N 1 0 343.240 3.064 40 0 EGABRO COc1cccc(COC[C@H](O)C[N@@H+]2CCc3sccc3[C@H]2C)c1 ZINC000245237838 243099773 /nfs/dbraw/zinc/09/97/73/243099773.db2.gz YYZCKVOFEQSCLK-GDBMZVCRSA-N 1 0 347.480 3.254 40 0 EGABRO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1-c1ncco1 ZINC000245344152 243103130 /nfs/dbraw/zinc/10/31/30/243103130.db2.gz XWBXTFFWTFBVKN-ZBFHGGJFSA-N 1 0 340.427 3.350 40 0 EGABRO COc1ccc(CN2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1OC ZINC000020569886 212148073 /nfs/dbraw/zinc/14/80/73/212148073.db2.gz KMTUFDDENXAJPK-AEFFLSMTSA-N 1 0 332.488 3.400 40 0 EGABRO Cc1cc2ccccc2n1CC(=O)N1CC[C@]2(C)[NH2+]CCCCC[C@H]12 ZINC000257202492 244124621 /nfs/dbraw/zinc/12/46/21/244124621.db2.gz AMCYQIWNWZHBIK-FPOVZHCZSA-N 1 0 339.483 3.473 40 0 EGABRO C[NH+](C)CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257203646 244126730 /nfs/dbraw/zinc/12/67/30/244126730.db2.gz AQZSIDQAEVHNMW-INIZCTEOSA-N 1 0 347.846 3.144 40 0 EGABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3sc(C)nc3C)C2)c1 ZINC000257223988 244193637 /nfs/dbraw/zinc/19/36/37/244193637.db2.gz DZUFCXZIQHZVFL-ZDUSSCGKSA-N 1 0 330.457 3.135 40 0 EGABRO Cc1noc(C)c1-c1ccnc(C2CC[NH+](Cc3cnc[nH]3)CC2)c1 ZINC000257246803 244258126 /nfs/dbraw/zinc/25/81/26/244258126.db2.gz IVWWKRKZNLTAGY-UHFFFAOYSA-N 1 0 337.427 3.456 40 0 EGABRO c1ncc(C[N@H+]2CCC[C@H](Cc3cccc(Nc4ccccn4)n3)C2)[nH]1 ZINC000257247997 244261214 /nfs/dbraw/zinc/26/12/14/244261214.db2.gz JBOSIGAWUTWZCX-MRXNPFEDSA-N 1 0 348.454 3.398 40 0 EGABRO c1ncc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4ccccn4)c3)C2)[nH]1 ZINC000257265440 244360781 /nfs/dbraw/zinc/36/07/81/244360781.db2.gz LYQWMSIWFKVYPQ-MRXNPFEDSA-N 1 0 334.427 3.323 40 0 EGABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3cccc(OC)c3)C2)c1 ZINC000257272817 244382549 /nfs/dbraw/zinc/38/25/49/244382549.db2.gz NDZDVDHYEOZHDD-OAHLLOKOSA-N 1 0 325.412 3.070 40 0 EGABRO O=C1OC[C@H](Cc2ccccc2)N1c1cccc(C2CC[NH2+]CC2)n1 ZINC000257274626 244389727 /nfs/dbraw/zinc/38/97/27/244389727.db2.gz NLXWXUQUBFRYRK-KRWDZBQOSA-N 1 0 337.423 3.117 40 0 EGABRO C[N@H+](Cc1ccnc(N2CCCC2)n1)Cc1cccc2ncccc12 ZINC000019586471 212048877 /nfs/dbraw/zinc/04/88/77/212048877.db2.gz YIHRUOAAKHRMLS-UHFFFAOYSA-N 1 0 333.439 3.257 40 0 EGABRO CC[NH+](CC)C[C@H]1CCCN(C(=O)Cn2ccc3ccc(F)cc32)C1 ZINC000019526350 212037926 /nfs/dbraw/zinc/03/79/26/212037926.db2.gz XUGUWIFUVHNNRE-MRXNPFEDSA-N 1 0 345.462 3.361 40 0 EGABRO CC(C)[NH+](CCN1CCC[C@H](n2c3ccccc3oc2=O)C1)C(C)C ZINC000019447607 212029086 /nfs/dbraw/zinc/02/90/86/212029086.db2.gz QOUDZCFOAWGKQH-KRWDZBQOSA-N 1 0 345.487 3.350 40 0 EGABRO Cn1cccc1C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019291131 212012080 /nfs/dbraw/zinc/01/20/80/212012080.db2.gz QXPFQSGTSSMXDE-HNNXBMFYSA-N 1 0 345.830 3.424 40 0 EGABRO Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccc(O)cc2)o1 ZINC000019216434 212005125 /nfs/dbraw/zinc/00/51/25/212005125.db2.gz BMGOXFKFULEJGC-UHFFFAOYSA-N 1 0 344.455 3.018 40 0 EGABRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1ccccc1N1CCOCC1 ZINC000078553813 217075139 /nfs/dbraw/zinc/07/51/39/217075139.db2.gz JJAJESNCLSBXBG-IBGZPJMESA-N 1 0 338.451 3.363 40 0 EGABRO COc1ccc(C[NH2+]CCc2cc(F)cc3c2OCOC3)c(OC)c1 ZINC000078552814 217074271 /nfs/dbraw/zinc/07/42/71/217074271.db2.gz WWHOVLYPTTYEHA-UHFFFAOYSA-N 1 0 347.386 3.042 40 0 EGABRO CCc1ccc(CC)c(NC(=O)NCC[NH+]2CCC(OC)CC2)c1 ZINC000079817413 217256476 /nfs/dbraw/zinc/25/64/76/217256476.db2.gz RZDMYXQZIJIOAO-UHFFFAOYSA-N 1 0 333.476 3.044 40 0 EGABRO CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N(CC)CC)no1 ZINC000015673351 211840116 /nfs/dbraw/zinc/84/01/16/211840116.db2.gz GAQFRAJQRVJIGY-HOTGVXAUSA-N 1 0 335.492 3.044 40 0 biogenic,in-vitro EGABRO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)s1 ZINC000080127374 217281012 /nfs/dbraw/zinc/28/10/12/217281012.db2.gz SFSLXEHEVAEUIE-QWRGUYRKSA-N 1 0 345.306 3.072 40 0 EGABRO O[C@]1(c2cccnc2)CCC[C@H]2C[N@H+](Cc3cc(F)ccc3F)C[C@@H]21 ZINC000012337145 211351125 /nfs/dbraw/zinc/35/11/25/211351125.db2.gz YHQYVBJFVDONSK-DCPHZVHLSA-N 1 0 344.405 3.480 40 0 EGABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000012239819 211328724 /nfs/dbraw/zinc/32/87/24/211328724.db2.gz KLMPZFQNKCLOKB-LJQANCHMSA-N 1 0 344.499 3.116 40 0 EGABRO CCc1ncc(C[N@@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012188837 211315587 /nfs/dbraw/zinc/31/55/87/211315587.db2.gz PBPMIVPPFLXIDI-LJQANCHMSA-N 1 0 329.419 3.052 40 0 EGABRO S=C(Nc1nnc(CC[NH+]2CCCCC2)s1)Nc1ccccc1 ZINC000095116501 218281640 /nfs/dbraw/zinc/28/16/40/218281640.db2.gz DGJGDDMMMQVVKK-UHFFFAOYSA-N 1 0 347.513 3.375 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC[C@H]3NC(=O)c3ccn(C)c3)CC2)o1 ZINC000096051695 218543412 /nfs/dbraw/zinc/54/34/12/218543412.db2.gz IAFAKOHBYKWHJL-GOSISDBHSA-N 1 0 341.455 3.101 40 0 EGABRO CCCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000005141808 210397650 /nfs/dbraw/zinc/39/76/50/210397650.db2.gz YYQWSSHRVKGXIT-HOJAQTOUSA-N 1 0 348.462 3.020 40 0 EGABRO O=S1(=O)N(CC2CC2)c2ccccc2C12CC[NH+](C1CCC1)CC2 ZINC000306132942 257920869 /nfs/dbraw/zinc/92/08/69/257920869.db2.gz LXFKWVKTLUXFSE-UHFFFAOYSA-N 1 0 346.496 3.090 40 0 EGABRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)COc2ccsc2)CC1 ZINC000330031931 258002971 /nfs/dbraw/zinc/00/29/71/258002971.db2.gz GFUHWZFHZPKTDX-UHFFFAOYSA-N 1 0 344.480 3.250 40 0 EGABRO Cc1ccc(CN(CC[NH+](C)C)Cc2c(C)nc3sccn23)o1 ZINC000019216487 292098447 /nfs/dbraw/zinc/09/84/47/292098447.db2.gz PKNMFMVAMPIFCR-UHFFFAOYSA-N 1 0 332.473 3.169 40 0 EGABRO COc1ccccc1[C@@H](O)C(CN1CCCCC1)C[NH+]1CCCCC1 ZINC000001689365 286510196 /nfs/dbraw/zinc/51/01/96/286510196.db2.gz MECOWGVOIJNFCT-NRFANRHFSA-N 1 0 346.515 3.317 40 0 EGABRO Cn1cc(C[NH+]2CCC3(CN(CC4CC4)c4ccccc43)CC2)cn1 ZINC000096078791 274891440 /nfs/dbraw/zinc/89/14/40/274891440.db2.gz VXXQGLGAMZWAFN-UHFFFAOYSA-N 1 0 336.483 3.184 40 0 EGABRO OCCO[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000096241574 275047616 /nfs/dbraw/zinc/04/76/16/275047616.db2.gz XYKBTGBEYVBJBD-HXUWFJFHSA-N 1 0 338.451 3.069 40 0 EGABRO c1cc(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)co1 ZINC000096216328 275064008 /nfs/dbraw/zinc/06/40/08/275064008.db2.gz HERXTPPAFNNREE-SFHVURJKSA-N 1 0 342.439 3.372 40 0 EGABRO CN1CC[N@@H+](C2CCCCC2)C[C@@H](Cc2ccnc3cccnc23)C1 ZINC000257203459 277103716 /nfs/dbraw/zinc/10/37/16/277103716.db2.gz AQDIUEVXWJDGBS-KRWDZBQOSA-N 1 0 338.499 3.369 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000248391315 277186529 /nfs/dbraw/zinc/18/65/29/277186529.db2.gz UTNSQQUATZXUSP-ZJIFWQFVSA-N 1 0 338.492 3.179 40 0 EGABRO CC(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCCCC3)ccc21 ZINC000012291367 277331484 /nfs/dbraw/zinc/33/14/84/277331484.db2.gz HSAQCBZCUBYDCS-LJQANCHMSA-N 1 0 330.472 3.141 40 0 EGABRO C[NH+](C)CCCN(Cc1ccco1)Cc1c[nH]cc2c(Cl)nnc1-2 ZINC000057810903 289115167 /nfs/dbraw/zinc/11/51/67/289115167.db2.gz WPMUPXWGPKFYTQ-UHFFFAOYSA-N 1 0 347.850 3.158 40 0 EGABRO Cc1ccc([C@@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218620679 301776945 /nfs/dbraw/zinc/77/69/45/301776945.db2.gz FVXXPXBGEWPOEA-BBWFWOEESA-N 1 0 335.856 3.163 40 0 EGABRO Cc1nc(C)c(-c2csc(NC(=O)[C@H]3CCC[NH2+][C@H]3C)n2)s1 ZINC000333248358 308854531 /nfs/dbraw/zinc/85/45/31/308854531.db2.gz GEORCVNKBFFAKD-KWQFWETISA-N 1 0 336.486 3.210 40 0 EGABRO O=C(Nc1ccccc1OCC1CC1)N1CCC([NH+]2CC=CC2)CC1 ZINC000156049228 323222103 /nfs/dbraw/zinc/22/21/03/323222103.db2.gz KOJONBLZTTXWBN-UHFFFAOYSA-N 1 0 341.455 3.344 40 0 EGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C[NH3+])[C@H]2c2cccc(Cl)c2)cc1 ZINC000242554674 455271515 /nfs/dbraw/zinc/27/15/15/455271515.db2.gz MSSKORCPQJSSRX-GVDBMIGSSA-N 1 0 335.856 3.163 40 0 EGABRO Nc1c(=O)oc2ccccc2c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000000176878 452527127 /nfs/dbraw/zinc/52/71/27/452527127.db2.gz AOKNJWHNXIKTFY-UHFFFAOYSA-N 1 0 349.434 3.452 40 0 EGABRO O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1CC[NH+]1CCCC1 ZINC000001607474 452669640 /nfs/dbraw/zinc/66/96/40/452669640.db2.gz VVYBDABOVROYDV-UHFFFAOYSA-N 1 0 346.430 3.062 40 0 EGABRO CCC[NH+](CCC)C[C@H](O)c1cccc(I)c1 ZINC000001706331 452673849 /nfs/dbraw/zinc/67/38/49/452673849.db2.gz XXSUSNGTNAWJEA-AWEZNQCLSA-N 1 0 347.240 3.447 40 0 EGABRO CC(C)(C)[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000007988182 453146895 /nfs/dbraw/zinc/14/68/95/453146895.db2.gz VOTXLOIBTJXSJW-UHFFFAOYSA-N 1 0 325.412 3.266 40 0 EGABRO Cc1csc2nc(C[N@@H+]3CCC[C@@H]3c3cccs3)cc(=O)n12 ZINC000008036337 453152626 /nfs/dbraw/zinc/15/26/26/453152626.db2.gz HIQDNSKHYMPRPF-CYBMUJFWSA-N 1 0 331.466 3.463 40 0 EGABRO C[NH2+]CCCNCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000008377218 453198943 /nfs/dbraw/zinc/19/89/43/453198943.db2.gz QMLAAWMLNSDGFY-UHFFFAOYSA-N 1 0 332.419 3.112 40 0 EGABRO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1CO ZINC000012186921 453347773 /nfs/dbraw/zinc/34/77/73/453347773.db2.gz VTCBHWXSVKPTLJ-FQEVSTJZSA-N 1 0 341.451 3.369 40 0 EGABRO O=C(NC1(C[NH+]2CCCC2)CCCCC1)[C@@H]1OCOc2ccccc21 ZINC000012198662 453350039 /nfs/dbraw/zinc/35/00/39/453350039.db2.gz TYXLUHVAWYWMAQ-GOSISDBHSA-N 1 0 344.455 3.009 40 0 EGABRO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@@H+](C2CCCCC2)C1 ZINC000015674910 453581963 /nfs/dbraw/zinc/58/19/63/453581963.db2.gz MWYSCTIORWCNBL-CVEARBPZSA-N 1 0 331.391 3.316 40 0 biogenic,in-vitro EGABRO Cc1nc(NC(=[NH2+])Nc2ccccc2)[nH]c(=O)c1Cc1ccccc1 ZINC000017068573 453628083 /nfs/dbraw/zinc/62/80/83/453628083.db2.gz XZASOBVHZLDQCM-UHFFFAOYSA-N 1 0 333.395 3.128 40 0 EGABRO Clc1cc(CN2CC[C@H]3[NH2+]CCCC[C@H]32)cc2c1OCCCO2 ZINC000019712460 453658431 /nfs/dbraw/zinc/65/84/31/453658431.db2.gz PDGFKPWDPUDPAS-HZPDHXFCSA-N 1 0 336.863 3.218 40 0 EGABRO Cc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)n1 ZINC000019712593 453659030 /nfs/dbraw/zinc/65/90/30/453659030.db2.gz URNANDJJANKHNZ-VWPQPMDRSA-N 1 0 349.478 3.417 40 0 EGABRO C[NH+](C)CCCn1c(=O)c2ccccc2nc1-c1ccc(F)cc1 ZINC000020799329 453668997 /nfs/dbraw/zinc/66/89/97/453668997.db2.gz MVIQDDNZKWRHCY-UHFFFAOYSA-N 1 0 325.387 3.154 40 0 EGABRO CC[C@@H](CNC(=O)c1cccc(OC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000029909219 453832588 /nfs/dbraw/zinc/83/25/88/453832588.db2.gz HMRSOEDWUHJEBK-IBGZPJMESA-N 1 0 338.451 3.262 40 0 EGABRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(Br)s1 ZINC000030908834 453841756 /nfs/dbraw/zinc/84/17/56/453841756.db2.gz AOMHDOKLJKELDQ-NSHDSACASA-N 1 0 326.263 3.411 40 0 EGABRO Cc1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000075285063 453875419 /nfs/dbraw/zinc/87/54/19/453875419.db2.gz XPNRKJLNRHVRLY-KPKJPENVSA-N 1 0 335.451 3.399 40 0 EGABRO C[N@H+](CC(=O)NCc1ccccn1)C1c2ccccc2-c2ccccc21 ZINC000081613606 453896257 /nfs/dbraw/zinc/89/62/57/453896257.db2.gz WQSIQCSJZZXOMN-UHFFFAOYSA-N 1 0 343.430 3.400 40 0 EGABRO Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000076330235 453989534 /nfs/dbraw/zinc/98/95/34/453989534.db2.gz JLPTXEAUMNOSPG-AWEZNQCLSA-N 1 0 339.867 3.007 40 0 EGABRO COc1ccc(C[N@@H+]2CCOC[C@H](OCc3ccccc3)C2)cc1 ZINC000085436026 454029033 /nfs/dbraw/zinc/02/90/33/454029033.db2.gz QSZSWTOFCYZUEZ-HXUWFJFHSA-N 1 0 327.424 3.113 40 0 biogenic,in-vitro EGABRO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000085468199 454030002 /nfs/dbraw/zinc/03/00/02/454030002.db2.gz YSHFTKXIEHZZJP-GOSISDBHSA-N 1 0 349.563 3.221 40 0 EGABRO O=C(NCC[NH+]1CCC(c2cccs2)CC1)c1ccccc1F ZINC000077103916 454064142 /nfs/dbraw/zinc/06/41/42/454064142.db2.gz QDHIOCQPMZGOIJ-UHFFFAOYSA-N 1 0 332.444 3.497 40 0 EGABRO COc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044140411 454089831 /nfs/dbraw/zinc/08/98/31/454089831.db2.gz ZSHBSGJWZPFGLX-GASCZTMLSA-N 1 0 335.517 3.350 40 0 EGABRO O=C(NCCc1ccc(F)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000057987644 454159348 /nfs/dbraw/zinc/15/93/48/454159348.db2.gz LBAXKOABIKOXSG-UHFFFAOYSA-N 1 0 326.415 3.394 40 0 EGABRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1F ZINC000070928435 454186327 /nfs/dbraw/zinc/18/63/27/454186327.db2.gz ZLJZETONMWQIPF-UHFFFAOYSA-N 1 0 331.366 3.006 40 0 EGABRO COc1ccccc1-c1nnc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)o1 ZINC000119897564 454233865 /nfs/dbraw/zinc/23/38/65/454233865.db2.gz FHHSSTFNYLURBP-AWEZNQCLSA-N 1 0 331.416 3.181 40 0 EGABRO Cc1ccsc1C[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041739 454266078 /nfs/dbraw/zinc/26/60/78/454266078.db2.gz QUAGYYYOCXMJKL-YQVWRLOYSA-N 1 0 344.480 3.400 40 0 EGABRO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](c4nnc(C)o4)[C@H]3C2)s1 ZINC000096043517 454267813 /nfs/dbraw/zinc/26/78/13/454267813.db2.gz AWBOMUKHNDCGEB-BZUAXINKSA-N 1 0 333.457 3.143 40 0 EGABRO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)cc1 ZINC000096047601 454269466 /nfs/dbraw/zinc/26/94/66/454269466.db2.gz PLQCHCGIHJJJDF-LPHOPBHVSA-N 1 0 328.412 3.134 40 0 EGABRO O=C(c1cccnc1)N1CCC2(CC[N@H+](Cc3ccsc3)C2)CC1 ZINC000096046663 454269766 /nfs/dbraw/zinc/26/97/66/454269766.db2.gz LVCKURVREZOXCH-UHFFFAOYSA-N 1 0 341.480 3.271 40 0 EGABRO O=C(c1cccs1)N1CCC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096046559 454270093 /nfs/dbraw/zinc/27/00/93/454270093.db2.gz PFRHLRSNIVQRQV-UHFFFAOYSA-N 1 0 341.480 3.271 40 0 EGABRO O=C(c1cccs1)N1CCC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096046555 454270192 /nfs/dbraw/zinc/27/01/92/454270192.db2.gz FDBHDLAOPYOMBU-UHFFFAOYSA-N 1 0 330.453 3.469 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)o1 ZINC000096048248 454270980 /nfs/dbraw/zinc/27/09/80/454270980.db2.gz PABVQIWQFIOTEN-OALUTQOASA-N 1 0 328.412 3.186 40 0 EGABRO Cn1cc([C@H]2COC3(C2)CC[NH+](Cc2ccc(F)cc2)CC3)cn1 ZINC000096047798 454271628 /nfs/dbraw/zinc/27/16/28/454271628.db2.gz PHDRPUPDDQNVJR-MRXNPFEDSA-N 1 0 329.419 3.098 40 0 EGABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096052561 454272589 /nfs/dbraw/zinc/27/25/89/454272589.db2.gz BOBNQSVSNVAHQV-MRXNPFEDSA-N 1 0 338.451 3.437 40 0 EGABRO CC(C)(C)OC(=O)N1CCN(c2ccc(C3=[NH+]CCCC3)cn2)CC1 ZINC000072216413 454273766 /nfs/dbraw/zinc/27/37/66/454273766.db2.gz CJAXLFXBKLWHRD-UHFFFAOYSA-N 1 0 344.459 3.112 40 0 EGABRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2cccnc2)[C@H]1Cc1ccccc1 ZINC000096061672 454276489 /nfs/dbraw/zinc/27/64/89/454276489.db2.gz FLKSYZBQQLQTDF-UXHICEINSA-N 1 0 337.467 3.248 40 0 EGABRO CC[NH+](CC)Cc1cncc2c1CCN(C(=O)Cc1cccs1)C2 ZINC000096067401 454278348 /nfs/dbraw/zinc/27/83/48/454278348.db2.gz VKHLVNTYBMMKLS-UHFFFAOYSA-N 1 0 343.496 3.112 40 0 EGABRO Cc1ccc(CN2C(=O)CCC23CCC([NH2+][C@@H]2CCOC2)CC3)cc1 ZINC000096075894 454280319 /nfs/dbraw/zinc/28/03/19/454280319.db2.gz FWZHEZHBRNWMOM-OBXNSHGQSA-N 1 0 342.483 3.177 40 0 EGABRO Fc1cccnc1O[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccoc1)C2 ZINC000096107561 454284673 /nfs/dbraw/zinc/28/46/73/454284673.db2.gz LAGDVCHHNFDEHH-YJBOKZPZSA-N 1 0 332.375 3.016 40 0 EGABRO Fc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)COC1 ZINC000096112724 454287694 /nfs/dbraw/zinc/28/76/94/454287694.db2.gz LWGVYKOJIGNSOY-ZDUSSCGKSA-N 1 0 347.340 3.315 40 0 biogenic,in-vitro EGABRO CCC(=O)N1CCC[C@@H]([N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C)C1 ZINC000072342505 454294828 /nfs/dbraw/zinc/29/48/28/454294828.db2.gz WZZBILPILIBLTG-GOEBONIOSA-N 1 0 346.471 3.024 40 0 EGABRO c1csc(C[N@H+]2CC[C@@H]3O[C@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000096186125 454299027 /nfs/dbraw/zinc/29/90/27/454299027.db2.gz GDSUOLZXADNFFL-WDSOQIARSA-N 1 0 344.480 3.482 40 0 EGABRO Cc1cccc(C[NH+]2CCC3(CN(c4cccc(F)c4)C3=O)CC2)n1 ZINC000096202992 454302832 /nfs/dbraw/zinc/30/28/32/454302832.db2.gz CFUJOYGAVCWXIN-UHFFFAOYSA-N 1 0 339.414 3.158 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)s1 ZINC000096207723 454304327 /nfs/dbraw/zinc/30/43/27/454304327.db2.gz CJQWFPVXXVGBAI-KDOFPFPSSA-N 1 0 345.468 3.008 40 0 EGABRO Cc1noc(C)c1CN1CCC[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096215979 454305399 /nfs/dbraw/zinc/30/53/99/454305399.db2.gz NLQWLXFOUMHJBC-IBGZPJMESA-N 1 0 329.444 3.373 40 0 EGABRO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccncc4)C3)C2)n1 ZINC000096216146 454306011 /nfs/dbraw/zinc/30/60/11/454306011.db2.gz PDWXTBQEVLEPIE-OAQYLSRUSA-N 1 0 336.483 3.273 40 0 EGABRO C[N@@H+]1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)CC3=CCCCC3)C2)C1 ZINC000096215823 454306209 /nfs/dbraw/zinc/30/62/09/454306209.db2.gz RGEIHHGGNZAPQU-PZJWPPBQSA-N 1 0 346.515 3.084 40 0 EGABRO C[C@@H](C(=O)NCCCc1nc2c(s1)CCCC2)[NH+]1CCCCCC1 ZINC000078725607 454306673 /nfs/dbraw/zinc/30/66/73/454306673.db2.gz DTXVAXANERFMJU-HNNXBMFYSA-N 1 0 349.544 3.335 40 0 EGABRO c1coc(C[NH+]2CCC3(CO[C@H](COCc4ccncc4)C3)CC2)c1 ZINC000096218313 454307310 /nfs/dbraw/zinc/30/73/10/454307310.db2.gz UTNAONAAEHJJQP-IBGZPJMESA-N 1 0 342.439 3.263 40 0 EGABRO O=C(CC1CC1)N1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216463 454307483 /nfs/dbraw/zinc/30/74/83/454307483.db2.gz JBDFTOBZAFVNLU-OAQYLSRUSA-N 1 0 342.483 3.180 40 0 EGABRO Cc1nc(CN2C(=O)CCC23CC[NH+](Cc2ccco2)CC3)cs1 ZINC000096228181 454308721 /nfs/dbraw/zinc/30/87/21/454308721.db2.gz HXIBCXNJSILRDY-UHFFFAOYSA-N 1 0 345.468 3.202 40 0 EGABRO FC1(F)CC[N@H+](Cc2cccnc2)C[C@]12CCN(c1cccnc1)C2 ZINC000096239575 454309862 /nfs/dbraw/zinc/30/98/62/454309862.db2.gz PXUSBBMMXNOSFU-SFHVURJKSA-N 1 0 344.409 3.214 40 0 EGABRO CC(C)NC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096241268 454312040 /nfs/dbraw/zinc/31/20/40/454312040.db2.gz FEEGXCIVAJOQOH-WBVHZDCISA-N 1 0 339.480 3.102 40 0 EGABRO Fc1ccc(C[NH2+]C[C@H]2Cn3c(-c4ccccc4)cnc3CO2)cc1 ZINC000096296452 454317521 /nfs/dbraw/zinc/31/75/21/454317521.db2.gz LZMJYPCRNQKTTL-SFHVURJKSA-N 1 0 337.398 3.378 40 0 biogenic,in-vitro EGABRO Cc1cc(N2CCC(CC(N)=O)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000096419412 454335807 /nfs/dbraw/zinc/33/58/07/454335807.db2.gz APPIJEDFVFCSIJ-UHFFFAOYSA-N 1 0 349.381 3.236 40 0 EGABRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3nn(C(C)C)cc3c2)C1 ZINC000096453151 454356302 /nfs/dbraw/zinc/35/63/02/454356302.db2.gz CAVONAIUTXODMQ-OAHLLOKOSA-N 1 0 343.475 3.423 40 0 EGABRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3nn(C(C)C)cc3c2)C1 ZINC000096453150 454356388 /nfs/dbraw/zinc/35/63/88/454356388.db2.gz CAVONAIUTXODMQ-HNNXBMFYSA-N 1 0 343.475 3.423 40 0 EGABRO Cc1ncsc1CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000096461407 454359562 /nfs/dbraw/zinc/35/95/62/454359562.db2.gz JYRYLNWLZMUEKX-UHFFFAOYSA-N 1 0 331.485 3.268 40 0 EGABRO COc1cc(OC)cc(N2CCC([NH2+][C@@H](C)c3ccccn3)CC2)c1 ZINC000096487617 454367332 /nfs/dbraw/zinc/36/73/32/454367332.db2.gz HMOVSRNFVOKKKW-HNNXBMFYSA-N 1 0 341.455 3.418 40 0 EGABRO CC(=O)c1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1C ZINC000096491535 454368824 /nfs/dbraw/zinc/36/88/24/454368824.db2.gz WIYHQCDHSXKZSV-MRXNPFEDSA-N 1 0 329.444 3.147 40 0 EGABRO CC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2COC)CC1 ZINC000091180741 454401425 /nfs/dbraw/zinc/40/14/25/454401425.db2.gz PYJPMGQBVJLHTI-UHFFFAOYSA-N 1 0 325.840 3.046 40 0 EGABRO Cc1cccn2cc(CC[NH2+][C@H](c3ncc[nH]3)c3ccccc3)nc12 ZINC000097103769 454407574 /nfs/dbraw/zinc/40/75/74/454407574.db2.gz NPUMAPMDRXYZOW-SFHVURJKSA-N 1 0 331.423 3.288 40 0 EGABRO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1ccc(-c2cccnc2)cc1 ZINC000097230788 454427162 /nfs/dbraw/zinc/42/71/62/454427162.db2.gz AGLAYMWEGXZCML-CYBMUJFWSA-N 1 0 338.436 3.494 40 0 EGABRO COc1cccc([C@@H](CNC(=O)C(C)(C)c2ccccc2)[NH+](C)C)c1 ZINC000048354727 454478533 /nfs/dbraw/zinc/47/85/33/454478533.db2.gz WHTPPMDDHFDHMX-LJQANCHMSA-N 1 0 340.467 3.392 40 0 EGABRO Cc1n[nH]cc1C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136194298 454727650 /nfs/dbraw/zinc/72/76/50/454727650.db2.gz FVAPJLLPGVGGRR-SUMWQHHRSA-N 1 0 336.842 3.293 40 0 EGABRO COc1ccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4ccc(C)o4)C3)C2)cc1 ZINC000107728464 454770872 /nfs/dbraw/zinc/77/08/72/454770872.db2.gz RYDSDZICONIUEZ-YLJYHZDGSA-N 1 0 342.439 3.442 40 0 EGABRO COc1cc(C)ccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000155777966 455044157 /nfs/dbraw/zinc/04/41/57/455044157.db2.gz GVJYJJWCNKJYFK-MRXNPFEDSA-N 1 0 331.460 3.343 40 0 EGABRO Cc1cccc(COC[C@H]2C[N@H+](CC3CCCC3)Cc3cncn32)n1 ZINC000247901820 455653770 /nfs/dbraw/zinc/65/37/70/455653770.db2.gz ZKIUXKWVYCGYQU-HXUWFJFHSA-N 1 0 340.471 3.350 40 0 EGABRO Cc1cccc(COC[C@@H]2C[N@H+](CC3CCCC3)Cc3cncn32)n1 ZINC000247901815 455653979 /nfs/dbraw/zinc/65/39/79/455653979.db2.gz ZKIUXKWVYCGYQU-FQEVSTJZSA-N 1 0 340.471 3.350 40 0 EGABRO Cc1nc(COC[C@H]2C[N@@H+](C3CCCC3)Cc3cncn32)cs1 ZINC000248019205 455670377 /nfs/dbraw/zinc/67/03/77/455670377.db2.gz IMLUVXACNQAGEH-QGZVFWFLSA-N 1 0 332.473 3.164 40 0 EGABRO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccccc1 ZINC000248341778 455705977 /nfs/dbraw/zinc/70/59/77/455705977.db2.gz ZTZWBICGABZDQN-MOPGFXCFSA-N 1 0 337.419 3.181 40 0 EGABRO OCC[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000248763063 455729237 /nfs/dbraw/zinc/72/92/37/455729237.db2.gz DWCYDJFNLYTUQD-YRPNKDGESA-N 1 0 340.467 3.488 40 0 EGABRO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)n1 ZINC000248751856 455729709 /nfs/dbraw/zinc/72/97/09/455729709.db2.gz HCGTXHGQAXPDMT-HIFRSBDPSA-N 1 0 347.381 3.082 40 0 EGABRO CCn1cncc1C[N@@H+]1C[C@@H]2CCC[C@@](O)(c3ccc(F)cc3)[C@H]2C1 ZINC000249701601 455768255 /nfs/dbraw/zinc/76/82/55/455768255.db2.gz YQYYLUYPHMUQTK-RYGJVYDSSA-N 1 0 343.446 3.162 40 0 EGABRO C[C@H]1CCCCN1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000252478578 455806878 /nfs/dbraw/zinc/80/68/78/455806878.db2.gz APVCAUWQWWYFMX-INIZCTEOSA-N 1 0 345.487 3.244 40 0 EGABRO c1cnc(OC2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cn1 ZINC000194188028 455812926 /nfs/dbraw/zinc/81/29/26/455812926.db2.gz DBCMPBMRNHWUGM-VCIBQBEUSA-N 1 0 343.471 3.104 40 0 EGABRO Cc1cnccc1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000252508748 455817057 /nfs/dbraw/zinc/81/70/57/455817057.db2.gz XSKJUUMFJHBMBK-KRWDZBQOSA-N 1 0 346.862 3.146 40 0 EGABRO C[C@H](C[S@](C)=O)[N@H+](C)C1CC(c2ccc(Br)cc2)C1 ZINC000194482718 455848653 /nfs/dbraw/zinc/84/86/53/455848653.db2.gz CJCPVIKUBMXCIW-PBGHYWOFSA-N 1 0 344.318 3.394 40 0 EGABRO CCC(=O)N1CCC[C@H]([N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C)C1 ZINC000253589233 455853626 /nfs/dbraw/zinc/85/36/26/455853626.db2.gz WZZBILPILIBLTG-ZBFHGGJFSA-N 1 0 346.471 3.024 40 0 EGABRO Cc1c[nH]c(-c2nccnc2C2CC[NH+](Cc3cncs3)CC2)n1 ZINC000257279048 455881957 /nfs/dbraw/zinc/88/19/57/455881957.db2.gz OEUJGIGGHSHBCC-UHFFFAOYSA-N 1 0 340.456 3.011 40 0 EGABRO Cn1cc(C[NH+]2CCC3(CO[C@@H](Cc4ccc(F)cc4)C3)CC2)cn1 ZINC000257301227 455887082 /nfs/dbraw/zinc/88/70/82/455887082.db2.gz RXNQHRFKVDRUTM-IBGZPJMESA-N 1 0 343.446 3.173 40 0 EGABRO CO[C@@H]1CCCOC12CC[NH+](Cc1ccc3ncccc3c1)CC2 ZINC000257308677 455887948 /nfs/dbraw/zinc/88/79/48/455887948.db2.gz TXRIYJJYJNUNBQ-LJQANCHMSA-N 1 0 326.440 3.395 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@H](Cc3cnc(-c4ncc[nH]4)cn3)C2)n1 ZINC000257311697 455888722 /nfs/dbraw/zinc/88/87/22/455888722.db2.gz UKQRHTJNYNXITD-MRXNPFEDSA-N 1 0 348.454 3.025 40 0 EGABRO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@H+](Cc3cnccn3)C2)n1 ZINC000257315821 455890562 /nfs/dbraw/zinc/89/05/62/455890562.db2.gz VCXFDIXJURHUBE-MRXNPFEDSA-N 1 0 349.438 3.208 40 0 EGABRO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)s2)nc1 ZINC000257316758 455891011 /nfs/dbraw/zinc/89/10/11/455891011.db2.gz VGVXCYPTJQPRPU-SFHVURJKSA-N 1 0 329.469 3.425 40 0 EGABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(NC)c2)cc1CO ZINC000257323487 455891281 /nfs/dbraw/zinc/89/12/81/455891281.db2.gz WKKGYEUJIVDCRU-GOSISDBHSA-N 1 0 341.455 3.351 40 0 EGABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCc2ccncc2)c1 ZINC000257333824 455894395 /nfs/dbraw/zinc/89/43/95/455894395.db2.gz YDFIBXDJHBFGRH-UHFFFAOYSA-N 1 0 346.434 3.135 40 0 EGABRO COCC[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000195543104 455982790 /nfs/dbraw/zinc/98/27/90/455982790.db2.gz RGYWVGAOGCRLOI-UHFFFAOYSA-N 1 0 334.803 3.307 40 0 EGABRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2noc(C(C)(C)C)n2)C1 ZINC000225604080 456097678 /nfs/dbraw/zinc/09/76/78/456097678.db2.gz RBFSUYAIJKNJNW-CYBMUJFWSA-N 1 0 349.504 3.090 40 0 EGABRO COCC[C@H]1Cn2cccc2C[N@H+](CCOCc2ccccc2)C1 ZINC000585095280 459822417 /nfs/dbraw/zinc/82/24/17/459822417.db2.gz NEHAJNZZFINCEP-LJQANCHMSA-N 1 0 328.456 3.173 40 0 EGABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)CC2)N1CCF ZINC000585100638 459822862 /nfs/dbraw/zinc/82/28/62/459822862.db2.gz RISMOFCEDNMNBB-NRFANRHFSA-N 1 0 344.474 3.492 40 0 EGABRO CCCC[N@@H+]1CCOC[C@@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585104173 459823683 /nfs/dbraw/zinc/82/36/83/459823683.db2.gz KARFDFLZSABCRA-PXNSSMCTSA-N 1 0 330.472 3.099 40 0 EGABRO c1cncc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)c1 ZINC000585103900 459824241 /nfs/dbraw/zinc/82/42/41/459824241.db2.gz DPAZPOBSFLLKIB-IBGZPJMESA-N 1 0 330.472 3.269 40 0 EGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CC[C@@H]3NC(=O)CCCC[C@H]32)CC1 ZINC000585284470 459832712 /nfs/dbraw/zinc/83/27/12/459832712.db2.gz SNGKCANXQPDIOO-MIALQEHNSA-N 1 0 336.520 3.087 40 0 EGABRO c1nc2ccccn2c1-c1cccc(C[C@H]2COC3(C2)CC[NH2+]CC3)n1 ZINC000585262974 459832745 /nfs/dbraw/zinc/83/27/45/459832745.db2.gz GHLDQQNNBGAWQS-MRXNPFEDSA-N 1 0 348.450 3.098 40 0 EGABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+][C@@H](CO)Cc3ccccc3)cc12 ZINC000585291640 459833308 /nfs/dbraw/zinc/83/33/08/459833308.db2.gz AVMPPUDTZFPUKH-GOSISDBHSA-N 1 0 336.435 3.250 40 0 EGABRO Cc1ccnc(NC(=O)[C@]23CCC[C@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000901758904 1317472727 /nfs/dbraw/zinc/47/27/27/1317472727.db2.gz PNVYZINNTZLZOD-PXNSSMCTSA-N 1 0 336.439 3.026 40 0 EGABRO Cc1cc(C)c(C)c(OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)c1 ZINC000004305261 210165499 /nfs/dbraw/zinc/16/54/99/210165499.db2.gz HBPODAZFVYNBNT-GOSISDBHSA-N 1 0 349.515 3.365 40 0 EGABRO CC(C)c1ccc(OCCOC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000040373397 213293255 /nfs/dbraw/zinc/29/32/55/213293255.db2.gz BOHSPJRSQSIMAL-HKUYNNGSSA-N 1 0 335.488 3.298 40 0 EGABRO CC(C)c1ccc(OCCOC[C@@H](O)C[NH2+]C2CCCCC2)cc1 ZINC000040373353 213293654 /nfs/dbraw/zinc/29/36/54/213293654.db2.gz BRSHGFHCIQUCPS-IBGZPJMESA-N 1 0 335.488 3.489 40 0 EGABRO CC1CC[NH+](CCNC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000040108074 213267681 /nfs/dbraw/zinc/26/76/81/213267681.db2.gz MGAWVUDYNHCIPL-UHFFFAOYSA-N 1 0 343.240 3.050 40 0 EGABRO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849961 213228853 /nfs/dbraw/zinc/22/88/53/213228853.db2.gz ZZCFEGLTZUPWMI-QGZVFWFLSA-N 1 0 343.858 3.263 40 0 EGABRO Fc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C3)nc2c1 ZINC000035446606 213028074 /nfs/dbraw/zinc/02/80/74/213028074.db2.gz GTBXBMOUSKGGFW-ZDUSSCGKSA-N 1 0 339.370 3.420 40 0 biogenic,in-vitro EGABRO Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(C(C)C)cc1 ZINC000000307236 209527987 /nfs/dbraw/zinc/52/79/87/209527987.db2.gz JKAPMCGOKDBAPK-GOSISDBHSA-N 1 0 339.459 3.338 40 0 EGABRO CC(C)[N@@H+]1CCC[C@@H](Cc2ccc(NCCc3ccncc3)nn2)C1 ZINC000072387418 216186650 /nfs/dbraw/zinc/18/66/50/216186650.db2.gz GEGZRBSURQTVPR-SFHVURJKSA-N 1 0 339.487 3.189 40 0 EGABRO Cc1cc(OCC(=O)N2CC[NH+]=Cc3cc(N)ccc32)ccc1Cl ZINC000073642488 216404434 /nfs/dbraw/zinc/40/44/34/216404434.db2.gz RSOPGIFUPKEOGO-UHFFFAOYSA-N 1 0 343.814 3.075 40 0 EGABRO c1cc(C[NH+]2CCCCC2)cc(-c2noc(CC3OCCCO3)n2)c1 ZINC000193181666 240051730 /nfs/dbraw/zinc/05/17/30/240051730.db2.gz DLTNLFHVEUIFJM-UHFFFAOYSA-N 1 0 343.427 3.028 40 0 EGABRO COCCCNC(=O)C1CC[NH+](Cc2ccc(C)c(Cl)c2)CC1 ZINC000193787354 240311635 /nfs/dbraw/zinc/31/16/35/240311635.db2.gz QSTITFPHDZBZFI-UHFFFAOYSA-N 1 0 338.879 3.013 40 0 EGABRO O=C(c1cccc(Cl)c1)N1CCC[N@H+](C[C@@H]2CCC=CO2)CC1 ZINC000193795019 240312452 /nfs/dbraw/zinc/31/24/52/240312452.db2.gz LSUJXAXSPSADQJ-KRWDZBQOSA-N 1 0 334.847 3.181 40 0 EGABRO COc1cccc(C[N@H+](C)CCC(=O)Nc2ccccc2OC)c1 ZINC000022198374 212281518 /nfs/dbraw/zinc/28/15/18/212281518.db2.gz XUWAJKJWGSGTDN-UHFFFAOYSA-N 1 0 328.412 3.164 40 0 EGABRO Cc1ncccc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000195562157 241012203 /nfs/dbraw/zinc/01/22/03/241012203.db2.gz GRQXVFIOODIXBH-GVDBMIGSSA-N 1 0 331.460 3.125 40 0 EGABRO O=C(NCc1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000025065151 284007487 /nfs/dbraw/zinc/00/74/87/284007487.db2.gz GNKFACHENFYISS-MRXNPFEDSA-N 1 0 329.469 3.384 40 0 EGABRO COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCC[NH2+]C3)ccc12 ZINC000257202197 244121237 /nfs/dbraw/zinc/12/12/37/244121237.db2.gz AKVVGDUBWCBSNP-CYBMUJFWSA-N 1 0 337.427 3.046 40 0 EGABRO c1ccc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000257209712 244146630 /nfs/dbraw/zinc/14/66/30/244146630.db2.gz BRPGTPNCEMQONR-KRWDZBQOSA-N 1 0 346.438 3.390 40 0 EGABRO Cc1nc([C@]2(C)CCC[N@@H+](C3CCN(C)CC3)C2)c2sccn12 ZINC000257243758 244250984 /nfs/dbraw/zinc/25/09/84/244250984.db2.gz IILHUFJRAIOJNO-GOSISDBHSA-N 1 0 332.517 3.152 40 0 EGABRO Cn1c2ccccc2nc1C[N@H+](C)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257239461 244237951 /nfs/dbraw/zinc/23/79/51/244237951.db2.gz HPIQLIQTYPMESY-MRXNPFEDSA-N 1 0 335.455 3.069 40 0 EGABRO O=c1nc(C[NH2+]Cc2ccccc2)[nH]c2sc3c(c21)CCCC3 ZINC000020121488 212104326 /nfs/dbraw/zinc/10/43/26/212104326.db2.gz VWWVQNWWLWMSBH-UHFFFAOYSA-N 1 0 325.437 3.153 40 0 EGABRO CCNc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+]C3)s1 ZINC000257263483 244352630 /nfs/dbraw/zinc/35/26/30/244352630.db2.gz LQBTZWVWIPFERP-MOROJQBDSA-N 1 0 348.516 3.019 40 0 EGABRO C[N@H+](CCc1ccccn1)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019586254 212048868 /nfs/dbraw/zinc/04/88/68/212048868.db2.gz SJMGRIDCMXNAMA-SFHVURJKSA-N 1 0 336.439 3.484 40 0 EGABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000019575272 212044898 /nfs/dbraw/zinc/04/48/98/212044898.db2.gz XNIGATOWDBZRCB-RBSFLKMASA-N 1 0 346.858 3.239 40 0 EGABRO Cc1c(CN(C)CC[NH+]2CCCCC2)cnn1Cc1ccccc1 ZINC000019554483 212041125 /nfs/dbraw/zinc/04/11/25/212041125.db2.gz GJALOERQRJQJTQ-UHFFFAOYSA-N 1 0 326.488 3.158 40 0 EGABRO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@@H+](CC(C)(C)C)C[C@@H]12 ZINC000019528280 212039906 /nfs/dbraw/zinc/03/99/06/212039906.db2.gz GBCKXGHCOZSKOZ-UZLBHIALSA-N 1 0 328.456 3.082 40 0 EGABRO Fc1ccccc1C[N@@H+]1C[C@H]2CCc3nnc(-c4cccnc4)n3[C@H]2C1 ZINC000019349477 212019920 /nfs/dbraw/zinc/01/99/20/212019920.db2.gz JQXHBNFCFXIBTH-AEFFLSMTSA-N 1 0 349.413 3.099 40 0 EGABRO O=C(N[C@H]1COCCC12CC[NH+](C1CCCC1)CC2)c1ccccc1 ZINC000096217581 284246080 /nfs/dbraw/zinc/24/60/80/284246080.db2.gz GSEVOMVNTOAYPM-IBGZPJMESA-N 1 0 342.483 3.230 40 0 EGABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)[nH]c2c1cccc2C ZINC000012362824 211355812 /nfs/dbraw/zinc/35/58/12/211355812.db2.gz RDQSSDFLSPPAHR-INIZCTEOSA-N 1 0 327.472 3.318 40 0 EGABRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000092101837 218119480 /nfs/dbraw/zinc/11/94/80/218119480.db2.gz RPAWJIGAGCQHJT-ZDUSSCGKSA-N 1 0 346.805 3.242 40 0 EGABRO COCCOc1ccc(C[NH2+][C@@H]2CCCOc3cc(C)ccc32)cn1 ZINC000095420412 218360550 /nfs/dbraw/zinc/36/05/50/218360550.db2.gz DFRVYJMXLHVYQM-GOSISDBHSA-N 1 0 342.439 3.419 40 0 EGABRO Cc1ccc(C(=O)Nc2nnc(CC[NH+]3CCCCC3)s2)cc1 ZINC000008372192 210943609 /nfs/dbraw/zinc/94/36/09/210943609.db2.gz YTXLFRDKLVJAQI-UHFFFAOYSA-N 1 0 330.457 3.127 40 0 EGABRO COc1ccc(C[NH2+]C[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 ZINC000096112884 218609586 /nfs/dbraw/zinc/60/95/86/218609586.db2.gz ZOSDWAMABVPWMN-IBGZPJMESA-N 1 0 349.434 3.247 40 0 biogenic,in-vitro EGABRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(C)C ZINC000096493353 218870861 /nfs/dbraw/zinc/87/08/61/218870861.db2.gz LBASTJWENLIVCA-ZWKOTPCHSA-N 1 0 348.462 3.224 40 0 EGABRO C[C@@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@@H]1CCOC1 ZINC000097096448 218951444 /nfs/dbraw/zinc/95/14/44/218951444.db2.gz JIFFCOQNIMRYAZ-DGCLKSJQSA-N 1 0 333.457 3.192 40 0 EGABRO [NH3+]C1CCN(c2cc(C(F)F)c3cn(C4CCCC4)nc3n2)CC1 ZINC000012398931 135694687 /nfs/dbraw/zinc/69/46/87/135694687.db2.gz IIKWHBFDZJIVJD-UHFFFAOYSA-N 1 0 335.402 3.412 40 0 EGABRO CO[C@@H]1CC2(CC[NH+](Cc3cnn(C)c3)CC2)c2ccc(C)cc21 ZINC000096079423 274062366 /nfs/dbraw/zinc/06/23/66/274062366.db2.gz UKWZIAZPPGWCDA-LJQANCHMSA-N 1 0 325.456 3.354 40 0 EGABRO COc1cc2cccnc2c(NC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000004522436 274102959 /nfs/dbraw/zinc/10/29/59/274102959.db2.gz HEMGDCRRUCBIJT-YQQAZPJKSA-N 1 0 343.471 3.279 40 0 EGABRO O=C1N[C@@]2(CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)Nc2ccccc21 ZINC000072326852 275024557 /nfs/dbraw/zinc/02/45/57/275024557.db2.gz PURXELHQIVUYIF-YRISNDGFSA-N 1 0 333.435 3.080 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000195558524 278394513 /nfs/dbraw/zinc/39/45/13/278394513.db2.gz UTNSQQUATZXUSP-JONQDZQNSA-N 1 0 338.492 3.179 40 0 EGABRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000019082431 289209842 /nfs/dbraw/zinc/20/98/42/289209842.db2.gz NDTCEBAFKYOHDQ-LSDHHAIUSA-N 1 0 347.503 3.382 40 0 EGABRO [NH3+][C@H]1C[C@@]2(CCC(=O)N(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000072327733 295342910 /nfs/dbraw/zinc/34/29/10/295342910.db2.gz CMEIMTLPZKIBHJ-RXVVDRJESA-N 1 0 336.435 3.420 40 0 EGABRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cccc(-n2ccnc2)c1 ZINC000189887713 455250699 /nfs/dbraw/zinc/25/06/99/455250699.db2.gz XLLVUXSRFSSZFK-KUHUBIRLSA-N 1 0 325.387 3.396 40 0 EGABRO O=C(OCC[NH+]1CCCCC1)[C@@H](c1ccccc1)C1(O)CCCC1 ZINC000001852112 452679234 /nfs/dbraw/zinc/67/92/34/452679234.db2.gz RZYRCRNNLDPHAI-GOSISDBHSA-N 1 0 331.456 3.104 40 0 EGABRO COc1ccc(CC[NH+]2CCN(c3ccccc3F)CC2)cc1OC ZINC000005141272 452840605 /nfs/dbraw/zinc/84/06/05/452840605.db2.gz GPXKMNIDKFNKIO-UHFFFAOYSA-N 1 0 344.430 3.208 40 0 EGABRO CCOc1cc2c(cc1OCC)[C@H](c1[nH]c(CC)nc1C)[NH2+]CC2 ZINC000005686678 452895299 /nfs/dbraw/zinc/89/52/99/452895299.db2.gz CKLJQZXCQMLTJE-LJQANCHMSA-N 1 0 329.444 3.313 40 0 EGABRO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)CC1 ZINC000007105345 453032113 /nfs/dbraw/zinc/03/21/13/453032113.db2.gz KENWSZGMYKMMAX-NYYWCZLTSA-N 1 0 339.414 3.229 40 0 EGABRO C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)C1 ZINC000012239986 453351743 /nfs/dbraw/zinc/35/17/43/453351743.db2.gz VTPOIGCASOIQLF-MGPUTAFESA-N 1 0 342.483 3.141 40 0 EGABRO CCCc1ccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000012936988 453428911 /nfs/dbraw/zinc/42/89/11/453428911.db2.gz GOVFWGHKIQDPBV-UHFFFAOYSA-N 1 0 338.517 3.184 40 0 EGABRO CCOc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccccc3OC)cc2c1 ZINC000013998756 453497312 /nfs/dbraw/zinc/49/73/12/453497312.db2.gz NLIRUQNJEMOXTR-UHFFFAOYSA-N 1 0 338.407 3.225 40 0 EGABRO CC[NH+]1CCC(NC(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000014134932 453509299 /nfs/dbraw/zinc/50/92/99/453509299.db2.gz NBPDDRLCZBRVSZ-UHFFFAOYSA-N 1 0 336.526 3.379 40 0 EGABRO CCOC(CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)OCC ZINC000015042308 453552986 /nfs/dbraw/zinc/55/29/86/453552986.db2.gz OKRPHLCEJVQGJB-OAHLLOKOSA-N 1 0 344.496 3.155 40 0 EGABRO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)C1CCCCC1 ZINC000015256846 453563855 /nfs/dbraw/zinc/56/38/55/453563855.db2.gz JZKMUDOUBSGEQA-AWEZNQCLSA-N 1 0 329.444 3.015 40 0 EGABRO CCOc1ccc([N+]2=C3CCCCN3[C@](O)(c3cccs3)C2)cc1 ZINC000015962424 453590781 /nfs/dbraw/zinc/59/07/81/453590781.db2.gz YVMXOIFUYWVMFN-LJQANCHMSA-N 1 0 343.472 3.407 40 0 EGABRO C[NH+](C)CCN(Cc1c[nH]nc1-c1cccs1)Cc1cccnc1 ZINC000019582645 453657731 /nfs/dbraw/zinc/65/77/31/453657731.db2.gz ITSUUKLNQTWOIQ-UHFFFAOYSA-N 1 0 341.484 3.097 40 0 EGABRO CC(C)C[C@H](c1nnnn1C(C)C)N1CC[NH+](C2CCCCC2)CC1 ZINC000020140385 453662055 /nfs/dbraw/zinc/66/20/55/453662055.db2.gz LEDMJHXQPUROMK-GOSISDBHSA-N 1 0 348.539 3.292 40 0 EGABRO CC(C)[C@@H](CNC(=O)c1ccccc1O)[N@@H+]1CCc2ccccc2C1 ZINC000025535954 453777119 /nfs/dbraw/zinc/77/71/19/453777119.db2.gz LQQVUQKZXPVABE-LJQANCHMSA-N 1 0 338.451 3.205 40 0 EGABRO CC(C)[C@H](CNC(=O)c1ccccc1O)[N@@H+]1CCc2ccccc2C1 ZINC000025535961 453777340 /nfs/dbraw/zinc/77/73/40/453777340.db2.gz LQQVUQKZXPVABE-IBGZPJMESA-N 1 0 338.451 3.205 40 0 EGABRO O=C(Cc1ccccc1Cl)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029837822 453831892 /nfs/dbraw/zinc/83/18/92/453831892.db2.gz ZMRBYQFMMBDCHM-UHFFFAOYSA-N 1 0 342.870 3.447 40 0 EGABRO Cc1csc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000032882247 453894900 /nfs/dbraw/zinc/89/49/00/453894900.db2.gz ZHRTVVWCRYBNDV-UHFFFAOYSA-N 1 0 329.469 3.367 40 0 EGABRO COc1ccccc1/C=C/C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000032902650 453895831 /nfs/dbraw/zinc/89/58/31/453895831.db2.gz YBGIARAHTFCMJO-BUHFOSPRSA-N 1 0 338.451 3.347 40 0 EGABRO CCOc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000033932254 453918514 /nfs/dbraw/zinc/91/85/14/453918514.db2.gz UYNYFZVAQXLIGE-ZZCKCESHSA-N 1 0 344.455 3.132 40 0 EGABRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCn2cccc2)CC1 ZINC000084440360 453989084 /nfs/dbraw/zinc/98/90/84/453989084.db2.gz GYJQFBMOSGANGB-KRWDZBQOSA-N 1 0 340.471 3.013 40 0 EGABRO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000077611924 454130669 /nfs/dbraw/zinc/13/06/69/454130669.db2.gz SAZINDBTUUMOLD-IAGOWNOFSA-N 1 0 335.879 3.179 40 0 EGABRO C[NH+](C)CCCN(Cc1ccc(-n2cccn2)cc1)Cc1ccccn1 ZINC000057797226 454146821 /nfs/dbraw/zinc/14/68/21/454146821.db2.gz FTFLCYKCBFNNOL-UHFFFAOYSA-N 1 0 349.482 3.221 40 0 EGABRO Brc1ccc(C2([NH2+]Cc3ccno3)CCOCC2)cc1 ZINC000095395023 454201938 /nfs/dbraw/zinc/20/19/38/454201938.db2.gz CPYLJCGMGZWYRI-UHFFFAOYSA-N 1 0 337.217 3.233 40 0 EGABRO CC1CC[NH+](CCNC(=O)N(Cc2ccc(F)cc2)C2CC2)CC1 ZINC000071933051 454260103 /nfs/dbraw/zinc/26/01/03/454260103.db2.gz DIUSRLCGCPZGJH-UHFFFAOYSA-N 1 0 333.451 3.232 40 0 EGABRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000096037054 454265374 /nfs/dbraw/zinc/26/53/74/454265374.db2.gz CRVSOGKRYRDTKC-UHFFFAOYSA-N 1 0 330.501 3.080 40 0 EGABRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2cnn(C)c2)C3)s1 ZINC000096046985 454270497 /nfs/dbraw/zinc/27/04/97/454270497.db2.gz XSOSRKVNXVUZJU-IBGZPJMESA-N 1 0 344.528 3.278 40 0 EGABRO Cc1nc(CN2C[C@]3(CC[N@H+](Cc4ccsc4)C3)CC2=O)cs1 ZINC000096050901 454273146 /nfs/dbraw/zinc/27/31/46/454273146.db2.gz XGQZDSITFLDCJM-QGZVFWFLSA-N 1 0 347.509 3.138 40 0 EGABRO COc1ccc(C[NH+]2C[C@H]3CN(Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053874 454274064 /nfs/dbraw/zinc/27/40/64/454274064.db2.gz LIKPMNUTMQLPQJ-OALUTQOASA-N 1 0 340.442 3.398 40 0 EGABRO Cc1ccc([C@H](CNC(=O)c2[nH]nc3ccccc32)[NH+]2CCCC2)cc1 ZINC000060239027 454274325 /nfs/dbraw/zinc/27/43/25/454274325.db2.gz ROPSOPCTCKXNJO-IBGZPJMESA-N 1 0 348.450 3.438 40 0 EGABRO C[C@H]1C[N@H+](Cc2cccs2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061276 454277226 /nfs/dbraw/zinc/27/72/26/454277226.db2.gz XAOWZDGOHRQSMX-POZUXBRTSA-N 1 0 348.512 3.034 40 0 EGABRO Cc1csc(C[NH+]2CCC3(CO[C@@H](COCC4CC4)C3)CC2)n1 ZINC000096106020 454283103 /nfs/dbraw/zinc/28/31/03/454283103.db2.gz JSWJREFZAVJZMH-MRXNPFEDSA-N 1 0 336.501 3.249 40 0 EGABRO Cc1cccc(C[NH+]2CCC3(CO[C@H](COCC4CC4)C3)CC2)n1 ZINC000096105969 454283230 /nfs/dbraw/zinc/28/32/30/454283230.db2.gz FXKMWVPMCVFIAC-IBGZPJMESA-N 1 0 330.472 3.188 40 0 EGABRO c1cc(C[NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)ccn1 ZINC000096106462 454284479 /nfs/dbraw/zinc/28/44/79/454284479.db2.gz GKVLJWACTHVGQI-LJQANCHMSA-N 1 0 330.472 3.127 40 0 EGABRO Cc1ccsc1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096107598 454284816 /nfs/dbraw/zinc/28/48/16/454284816.db2.gz SUMYWSDMHSVCDH-WMZOPIPTSA-N 1 0 330.453 3.264 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3O[C@H](COCc4ccncc4)CC[C@@H]32)co1 ZINC000096186152 454299420 /nfs/dbraw/zinc/29/94/20/454299420.db2.gz ZXKGSZSEHGEIEV-FHWLQOOXSA-N 1 0 328.412 3.013 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3O[C@H](COCc4ccncc4)CC[C@@H]32)cs1 ZINC000096186153 454299550 /nfs/dbraw/zinc/29/95/50/454299550.db2.gz JBADOEOVJJLYAY-FHWLQOOXSA-N 1 0 344.480 3.482 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4ccncc4)CC[C@@H]32)cs1 ZINC000096186778 454300138 /nfs/dbraw/zinc/30/01/38/454300138.db2.gz JBADOEOVJJLYAY-QYZOEREBSA-N 1 0 344.480 3.482 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2cccnc2)s1 ZINC000096199708 454301931 /nfs/dbraw/zinc/30/19/31/454301931.db2.gz LGRLUPIFDPXJGQ-QGZVFWFLSA-N 1 0 341.480 3.090 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CN(Cc4cccnc4)C3=O)CC2)cc1 ZINC000096202869 454302007 /nfs/dbraw/zinc/30/20/07/454302007.db2.gz HIAGLBYNLWNZMP-UHFFFAOYSA-N 1 0 335.451 3.015 40 0 EGABRO Cc1cccc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)n1 ZINC000096200783 454302723 /nfs/dbraw/zinc/30/27/23/454302723.db2.gz IAQNIIYCRLVKOE-SFTDATJTSA-N 1 0 337.467 3.397 40 0 EGABRO Cc1ncsc1C[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC000096209004 454305068 /nfs/dbraw/zinc/30/50/68/454305068.db2.gz XDAKSFKSOWKRNR-MRXNPFEDSA-N 1 0 345.468 3.049 40 0 EGABRO Fc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2nncs2)C3)cc1 ZINC000096217159 454306994 /nfs/dbraw/zinc/30/69/94/454306994.db2.gz KTEWRSQAFFUMLU-QGZVFWFLSA-N 1 0 332.448 3.170 40 0 EGABRO Cc1cc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)oc1C ZINC000096221737 454308764 /nfs/dbraw/zinc/30/87/64/454308764.db2.gz GPZXHVJBMWYCSA-LJQANCHMSA-N 1 0 342.439 3.494 40 0 EGABRO CNC(=O)N[C@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccc(C)cc21 ZINC000096241802 454312066 /nfs/dbraw/zinc/31/20/66/454312066.db2.gz JDMJTDAYKCOKOX-SFHVURJKSA-N 1 0 327.472 3.112 40 0 EGABRO COc1ccccc1-c1cn2c(n1)CO[C@@H](C[NH2+]C1CCCCC1)C2 ZINC000096269416 454314545 /nfs/dbraw/zinc/31/45/45/454314545.db2.gz VBFGOOKMYLFEGO-INIZCTEOSA-N 1 0 341.455 3.380 40 0 biogenic,in-vitro EGABRO CSC[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000096413102 454330719 /nfs/dbraw/zinc/33/07/19/454330719.db2.gz VYGMZARSVNQRPU-MIGBEJBISA-N 1 0 347.528 3.233 40 0 EGABRO C[NH+](C)C[C@@H]1CSCCCN1C(=O)CCSc1ccccc1 ZINC000090700126 454336421 /nfs/dbraw/zinc/33/64/21/454336421.db2.gz VSTOTXAZZKIVCO-OAHLLOKOSA-N 1 0 338.542 3.065 40 0 EGABRO C[C@@](O)(C[NH2+]C1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000090891619 454349433 /nfs/dbraw/zinc/34/94/33/454349433.db2.gz GAURCFNURSLBTF-HXUWFJFHSA-N 1 0 328.431 3.292 40 0 EGABRO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(C(C)C)C2=O)cc1OC ZINC000096449371 454355421 /nfs/dbraw/zinc/35/54/21/454355421.db2.gz JEVSAHRPPAVZMP-GDBMZVCRSA-N 1 0 334.460 3.062 40 0 EGABRO Cn1cc(Nc2cccc(NC(=O)c3ccc(C[NH+](C)C)cc3)c2)cn1 ZINC000096449959 454355509 /nfs/dbraw/zinc/35/55/09/454355509.db2.gz WQDFHABLKXXBRV-UHFFFAOYSA-N 1 0 349.438 3.478 40 0 EGABRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1 ZINC000096453145 454356220 /nfs/dbraw/zinc/35/62/20/454356220.db2.gz QONWZPGPJARJKS-MRXNPFEDSA-N 1 0 332.492 3.337 40 0 EGABRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](C)c2ccsc2)c1 ZINC000096478868 454363671 /nfs/dbraw/zinc/36/36/71/454363671.db2.gz PZEDTZWYPKFARX-OLZOCXBDSA-N 1 0 338.498 3.111 40 0 EGABRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Nc1c(F)cc(F)cc1Cl ZINC000096487574 454367513 /nfs/dbraw/zinc/36/75/13/454367513.db2.gz FDJVTCHRMWLIHS-RNCFNFMXSA-N 1 0 331.794 3.422 40 0 EGABRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cc(F)ccc1F ZINC000096487355 454367687 /nfs/dbraw/zinc/36/76/87/454367687.db2.gz YMCJDYSTUHRIDJ-UHFFFAOYSA-N 1 0 346.377 3.174 40 0 EGABRO CC(C)(C[NH2+][C@H]1CCCS(=O)(=O)C1)Cc1cccc(Cl)c1 ZINC000096491693 454368650 /nfs/dbraw/zinc/36/86/50/454368650.db2.gz FJVDNCCQKVZHKH-HNNXBMFYSA-N 1 0 329.893 3.076 40 0 EGABRO CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CCc4nc(C)nn4C3)oc21 ZINC000096493386 454369883 /nfs/dbraw/zinc/36/98/83/454369883.db2.gz ZMXBBGGDQWLBON-WFASDCNBSA-N 1 0 340.427 3.397 40 0 EGABRO Cc1cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[nH]n1 ZINC000096496346 454370459 /nfs/dbraw/zinc/37/04/59/454370459.db2.gz SMDVHYZFFMIAQH-JATKITJMSA-N 1 0 348.491 3.169 40 0 EGABRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC1(Cl)Cl ZINC000110632666 454850280 /nfs/dbraw/zinc/85/02/80/454850280.db2.gz BGFZCIWJHPROPP-HUUCEWRRSA-N 1 0 341.282 3.161 40 0 EGABRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(Br)cc1F ZINC000127506929 454971631 /nfs/dbraw/zinc/97/16/31/454971631.db2.gz OWLNPRLSFIEJBZ-ZANVPECISA-N 1 0 334.254 3.107 40 0 EGABRO O[C@H](COCc1ccco1)C[N@@H+]1CCc2sccc2[C@H]1C1CC1 ZINC000245237583 455281615 /nfs/dbraw/zinc/28/16/15/455281615.db2.gz OPXFGKBQAYKWLB-KBXCAEBGSA-N 1 0 333.453 3.228 40 0 EGABRO Cc1n[nH]cc1C[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245660645 455350177 /nfs/dbraw/zinc/35/01/77/455350177.db2.gz FVAPJLLPGVGGRR-DYVFJYSZSA-N 1 0 336.842 3.293 40 0 EGABRO Cc1ccc(C(=O)CCN2CCSC[C@@H]2c2cnn(C)c2)cc1 ZINC000191221345 455466520 /nfs/dbraw/zinc/46/65/20/455466520.db2.gz FQJFGKSAAJJGKA-QGZVFWFLSA-N 1 0 329.469 3.091 40 0 EGABRO CC[NH+]1CCN(c2cccc(NCc3cnc4ccccn34)c2)CC1 ZINC000191884455 455527777 /nfs/dbraw/zinc/52/77/77/455527777.db2.gz BXPYXOVPSMNXFT-UHFFFAOYSA-N 1 0 335.455 3.088 40 0 EGABRO COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@@](O)(c3ccccn3)[C@H]2C1 ZINC000247906338 455653895 /nfs/dbraw/zinc/65/38/95/455653895.db2.gz KEIJZPQCLZFUQA-MDKPJZGXSA-N 1 0 338.451 3.128 40 0 EGABRO Nc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccn1 ZINC000248654572 455725309 /nfs/dbraw/zinc/72/53/09/455725309.db2.gz AHKXTCYGHZPTFY-VQTJNVASSA-N 1 0 336.483 3.150 40 0 EGABRO O=C(N[C@H](c1ccccc1)C1CCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252486573 455810641 /nfs/dbraw/zinc/81/06/41/455810641.db2.gz LRJSMPHHHRJMHW-CEXWTWQISA-N 1 0 327.472 3.454 40 0 EGABRO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000253418515 455843051 /nfs/dbraw/zinc/84/30/51/455843051.db2.gz SISXWYHCAQGLEF-GSEOLPGOSA-N 1 0 344.499 3.097 40 0 EGABRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3ccsc3)[C@H](C)C2)s1 ZINC000253420350 455843375 /nfs/dbraw/zinc/84/33/75/455843375.db2.gz WMAIVLFPQZWZTA-ABAIWWIYSA-N 1 0 335.498 3.153 40 0 EGABRO C[N@H+](CC(=O)Nc1nccs1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000253426779 455845610 /nfs/dbraw/zinc/84/56/10/455845610.db2.gz AYKHGFVGHFGOJI-GJZGRUSLSA-N 1 0 349.431 3.073 40 0 EGABRO Cc1ccc(C(=O)N2CCCC[C@H]3[C@@H]2[C@H](c2ccccc2)C[N@H+]3C)cn1 ZINC000257261934 455880852 /nfs/dbraw/zinc/88/08/52/455880852.db2.gz LJJBYEOCZWVPOG-ACRUOGEOSA-N 1 0 349.478 3.483 40 0 EGABRO Cc1nc(C2CC[NH2+]CC2)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000257287934 455882590 /nfs/dbraw/zinc/88/25/90/455882590.db2.gz PSCIBNFIRWLDAW-UHFFFAOYSA-N 1 0 340.446 3.344 40 0 EGABRO Cc1csc(C(=O)N2CCO[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)c1 ZINC000257327773 455892798 /nfs/dbraw/zinc/89/27/98/455892798.db2.gz XCQFAKNMZOJHGH-MRXNPFEDSA-N 1 0 345.468 3.040 40 0 EGABRO C[NH+](C)CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257336190 455894115 /nfs/dbraw/zinc/89/41/15/455894115.db2.gz YNMQUNUHUCXVOP-KRWDZBQOSA-N 1 0 345.418 3.020 40 0 EGABRO Cc1cccc(Nc2cc(C3CC[NH+]([C@H]4CCOC4)CC3)ccn2)n1 ZINC000257335299 455894664 /nfs/dbraw/zinc/89/46/64/455894664.db2.gz YJOGKYPNUAXHLH-SFHVURJKSA-N 1 0 338.455 3.497 40 0 EGABRO Cc1cc2ccccc2n1CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@H+]2C ZINC000257332071 455894685 /nfs/dbraw/zinc/89/46/85/455894685.db2.gz XVQKLMVFTARWIP-RTBURBONSA-N 1 0 325.456 3.035 40 0 EGABRO C[NH+](C)CC(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257343506 455896320 /nfs/dbraw/zinc/89/63/20/455896320.db2.gz ZTHIJXUEPNWVOZ-QGZVFWFLSA-N 1 0 345.418 3.020 40 0 EGABRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cccc(C)c2C)cc1 ZINC000195540554 455981886 /nfs/dbraw/zinc/98/18/86/455981886.db2.gz VIUMJAUDGNXWOW-INIZCTEOSA-N 1 0 346.496 3.203 40 0 EGABRO CCOC(=O)c1csc(C2CC[NH+](Cc3ccn(C)c3)CC2)n1 ZINC000225467356 456086106 /nfs/dbraw/zinc/08/61/06/456086106.db2.gz TZHCDHAYISUVAH-UHFFFAOYSA-N 1 0 333.457 3.038 40 0 EGABRO COC(C)(C)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225599341 456097371 /nfs/dbraw/zinc/09/73/71/456097371.db2.gz BVIJYVIBGCIVNH-HZPDHXFCSA-N 1 0 348.487 3.407 40 0 EGABRO c1cncc(-c2ccc3nc([C@H]4CCC[N@@H+](CC5CC5)C4)nn3c2)c1 ZINC000306135953 456568332 /nfs/dbraw/zinc/56/83/32/456568332.db2.gz PFBTYHUAGIAKTM-SFHVURJKSA-N 1 0 333.439 3.381 40 0 EGABRO O=C(Nc1cccc(C2=NCCC2)c1)Nc1cccc(C2=[NH+]CCN2)c1 ZINC000584577510 459771199 /nfs/dbraw/zinc/77/11/99/459771199.db2.gz HEUVDNHLPKLILK-UHFFFAOYSA-N 1 0 347.422 3.263 40 0 EGABRO CCOc1ccccc1C(=O)N1CCC[C@]2(CC[N@@H+]2CC(C)C)C1 ZINC000585101856 459824165 /nfs/dbraw/zinc/82/41/65/459824165.db2.gz JGHPGRVUPHISOI-FQEVSTJZSA-N 1 0 330.472 3.422 40 0 EGABRO Cc1cccnc1C[NH+]1CCC2(CC(NC(=O)OC(C)C)C2)CC1 ZINC000585104003 459824182 /nfs/dbraw/zinc/82/41/82/459824182.db2.gz VFAURNNVLWXYTC-UHFFFAOYSA-N 1 0 331.460 3.269 40 0 EGABRO CCc1cc2c(nc(C)nc2NC2CC[NH+](CCOC)CC2)s1 ZINC000641308779 461211896 /nfs/dbraw/zinc/21/18/96/461211896.db2.gz AOJXEZDNEVHQRG-UHFFFAOYSA-N 1 0 334.489 3.085 40 0 EGABRO C[NH+]1CCC(c2ccnc(Nc3ncccc3C(F)(F)F)n2)CC1 ZINC000257227400 536346226 /nfs/dbraw/zinc/34/62/26/536346226.db2.gz FPCGEKHHNOXZCD-UHFFFAOYSA-N 1 0 337.349 3.443 40 0 EGABRO CC(=O)N[C@H]1CCCC[C@]12C[N@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CCO2 ZINC000306132258 547460703 /nfs/dbraw/zinc/46/07/03/547460703.db2.gz LDAAOGODECCYJB-IWFBPKFRSA-N 1 0 346.515 3.129 40 0 EGABRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1C1CC1 ZINC000584908315 548099024 /nfs/dbraw/zinc/09/90/24/548099024.db2.gz RUOUJZUPTDCKNX-AWEZNQCLSA-N 1 0 344.480 3.404 40 0 EGABRO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102857 214273866 /nfs/dbraw/zinc/27/38/66/214273866.db2.gz ATSXHLWICJVRTQ-DNVCBOLYSA-N 1 0 330.472 3.267 40 0 EGABRO O=C(c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000004685725 210247689 /nfs/dbraw/zinc/24/76/89/210247689.db2.gz NUPOXGUGXABKNY-VYDXJSESSA-N 1 0 330.859 3.310 40 0 EGABRO C[C@H](NC(=O)N1CCSCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189866697 299115766 /nfs/dbraw/zinc/11/57/66/299115766.db2.gz VBHPEOIHMOPGNC-HRCADAONSA-N 1 0 339.549 3.176 40 0 EGABRO CC(C)(C)C[NH2+][C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C ZINC000067890094 215241794 /nfs/dbraw/zinc/24/17/94/215241794.db2.gz LHMKFFHKJXMFRO-QAPCUYQASA-N 1 0 349.519 3.100 40 0 biogenic,in-vitro EGABRO CC1CC[NH+](CCNC(=O)c2ccc(Br)cc2F)CC1 ZINC000040108068 213266942 /nfs/dbraw/zinc/26/69/42/213266942.db2.gz UCJCIRPLHMAWHX-UHFFFAOYSA-N 1 0 343.240 3.050 40 0 EGABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000072324603 216151510 /nfs/dbraw/zinc/15/15/10/216151510.db2.gz YCFCRGCODZFDGT-SUMWQHHRSA-N 1 0 330.863 3.399 40 0 EGABRO COCC[NH+]1CCC(c2nccnc2Oc2ccccc2OC)CC1 ZINC000072361788 216166933 /nfs/dbraw/zinc/16/69/33/216166933.db2.gz DNXOJKOUHKDZAA-UHFFFAOYSA-N 1 0 343.427 3.103 40 0 EGABRO CC(C)[N@@H+]1CCC[C@H](Cc2ccc(NCc3cccnc3)nn2)C1 ZINC000072365781 216172171 /nfs/dbraw/zinc/17/21/71/216172171.db2.gz LSYBJOBBACGCKT-MRXNPFEDSA-N 1 0 325.460 3.147 40 0 EGABRO CCOC(=O)C1(Cc2cc(-c3cccc(C)c3)no2)CC[NH2+]CC1 ZINC000072394520 216192650 /nfs/dbraw/zinc/19/26/50/216192650.db2.gz XMMJYWHSISDYKE-UHFFFAOYSA-N 1 0 328.412 3.125 40 0 EGABRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccnn2[C@@H]2CCCCO2)o1 ZINC000023247809 212363889 /nfs/dbraw/zinc/36/38/89/212363889.db2.gz AGRVNFRQPIUPCS-IBGZPJMESA-N 1 0 346.475 3.047 40 0 EGABRO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)s1 ZINC000225568313 241931481 /nfs/dbraw/zinc/93/14/81/241931481.db2.gz OXRCEAMUZNZAIN-GFCCVEGCSA-N 1 0 344.933 3.349 40 0 EGABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257200559 244118302 /nfs/dbraw/zinc/11/83/02/244118302.db2.gz ADUGZBWIGODWDW-CYBMUJFWSA-N 1 0 340.456 3.011 40 0 EGABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)COc3ccc(F)cc3)CCC[C@@]21C ZINC000257214847 244164712 /nfs/dbraw/zinc/16/47/12/244164712.db2.gz CNRFKKOKSRINGG-HKUYNNGSSA-N 1 0 334.435 3.070 40 0 EGABRO Nc1cc(CC[C@@H]2CN(Cc3ccc4ccccc4n3)CCO2)cc[nH+]1 ZINC000257217164 244170039 /nfs/dbraw/zinc/17/00/39/244170039.db2.gz CXUQOBDVIYANBI-LJQANCHMSA-N 1 0 348.450 3.046 40 0 EGABRO Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)s1 ZINC000257231289 244213826 /nfs/dbraw/zinc/21/38/26/244213826.db2.gz GGAOPQDUUACSBZ-CQSZACIVSA-N 1 0 344.484 3.159 40 0 EGABRO Cn1ccnc1C[NH+]1CCC2(CO[C@H](Cc3cccc(F)c3)C2)CC1 ZINC000257246961 244257832 /nfs/dbraw/zinc/25/78/32/244257832.db2.gz IWSYDRHUVXRNLI-GOSISDBHSA-N 1 0 343.446 3.173 40 0 EGABRO C[C@]12C[C@@H](Cc3ccccc3)[N@H+](Cc3ccccn3)[C@H]1CCCC(=O)N2 ZINC000257250746 244268085 /nfs/dbraw/zinc/26/80/85/244268085.db2.gz JNWGWHRIISGQOE-URVUXULASA-N 1 0 349.478 3.326 40 0 EGABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000020040177 212096261 /nfs/dbraw/zinc/09/62/61/212096261.db2.gz VJFKINIESQJDPZ-GOSISDBHSA-N 1 0 336.451 3.365 40 0 EGABRO Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)C[NH+](C)C)C3)n2)c1 ZINC000257261640 244349312 /nfs/dbraw/zinc/34/93/12/244349312.db2.gz LIFLXSGPCCNOAL-SFHVURJKSA-N 1 0 337.467 3.325 40 0 EGABRO Cc1c[nH]c(-c2cc(CC3CC[NH+](Cc4ccccn4)CC3)ncn2)n1 ZINC000257286707 244423920 /nfs/dbraw/zinc/42/39/20/244423920.db2.gz PMRQPJJQVUJHTR-UHFFFAOYSA-N 1 0 348.454 3.025 40 0 EGABRO Cc1ccc2[nH]c3nc(SCC[NH+]4CCCCC4)nnc3c2c1 ZINC000019893261 212079635 /nfs/dbraw/zinc/07/96/35/212079635.db2.gz JTNATYJQTCPIFJ-UHFFFAOYSA-N 1 0 327.457 3.393 40 0 EGABRO CCN(C(C)=O)[C@@H]1CCOC2(CC[NH+](CCc3ccccc3)CC2)C1 ZINC000257344159 244579162 /nfs/dbraw/zinc/57/91/62/244579162.db2.gz ZVZVEXSBICTHMR-HXUWFJFHSA-N 1 0 344.499 3.111 40 0 EGABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000019575060 212045546 /nfs/dbraw/zinc/04/55/46/212045546.db2.gz YCFCRGCODZFDGT-CXAGYDPISA-N 1 0 330.863 3.399 40 0 EGABRO COc1ccc(F)c(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2CCSC)c1 ZINC000019551689 212041088 /nfs/dbraw/zinc/04/10/88/212041088.db2.gz WMSGUDCYXJKLHL-JKSUJKDBSA-N 1 0 338.492 3.236 40 0 EGABRO CCc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)o1 ZINC000019522919 212037189 /nfs/dbraw/zinc/03/71/89/212037189.db2.gz MNORGWWSWVOCMK-CQSZACIVSA-N 1 0 339.443 3.155 40 0 EGABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000019503706 212035834 /nfs/dbraw/zinc/03/58/34/212035834.db2.gz JCJLIKIFQALMAC-MRXNPFEDSA-N 1 0 327.428 3.194 40 0 EGABRO Clc1ccccc1CN1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019349352 212019976 /nfs/dbraw/zinc/01/99/76/212019976.db2.gz IZNMSKLGSZAWQH-AWEZNQCLSA-N 1 0 342.874 3.155 40 0 EGABRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000079361774 217216177 /nfs/dbraw/zinc/21/61/77/217216177.db2.gz SGCBCNUGFTYZSZ-SFHVURJKSA-N 1 0 337.467 3.092 40 0 EGABRO COc1ccncc1NC(=O)c1ccc(F)c(COCC2CC2)c1 ZINC000079843664 217257729 /nfs/dbraw/zinc/25/77/29/217257729.db2.gz MRCWTSBKPWPIIU-UHFFFAOYSA-N 1 0 330.359 3.408 40 0 EGABRO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)s1 ZINC000080127384 217280319 /nfs/dbraw/zinc/28/03/19/217280319.db2.gz SFSLXEHEVAEUIE-GHMZBOCLSA-N 1 0 345.306 3.072 40 0 EGABRO CCNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1 ZINC000012481432 211392372 /nfs/dbraw/zinc/39/23/72/211392372.db2.gz BPTSFPVJQRVUEH-AYHJJNSGSA-N 1 0 331.529 3.365 40 0 EGABRO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010541025 211179951 /nfs/dbraw/zinc/17/99/51/211179951.db2.gz LVOLHLIMAZHCDI-IBGZPJMESA-N 1 0 348.487 3.091 40 0 EGABRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000010413543 211170746 /nfs/dbraw/zinc/17/07/46/211170746.db2.gz IICZFXWZERQZIS-UHFFFAOYSA-N 1 0 339.439 3.435 40 0 EGABRO C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccc([S@@](C)=O)cc1 ZINC000095423594 218365751 /nfs/dbraw/zinc/36/57/51/218365751.db2.gz YIFAOOGNRFZBDY-MYODQAERSA-N 1 0 339.407 3.432 40 0 EGABRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cccc(F)c2)CC1 ZINC000007268379 210776787 /nfs/dbraw/zinc/77/67/87/210776787.db2.gz VCQUMNJMMUZCDZ-UHFFFAOYSA-N 1 0 327.403 3.220 40 0 EGABRO O=C(NC[C@H]1OCCc2sccc21)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000096452106 218835018 /nfs/dbraw/zinc/83/50/18/218835018.db2.gz KSSKTVGDDGZSGT-WMLDXEAASA-N 1 0 348.512 3.133 40 0 EGABRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000096491069 218868141 /nfs/dbraw/zinc/86/81/41/218868141.db2.gz UGAIBEOQWKUDML-SNVBAGLBSA-N 1 0 334.769 3.383 40 0 EGABRO Cn1c[n+](C[C@@H](O)COc2cccc3ccccc32)c2ccccc21 ZINC000005015179 210362397 /nfs/dbraw/zinc/36/23/97/210362397.db2.gz GSXLDFWCFBUJTN-QGZVFWFLSA-N 1 0 333.411 3.059 40 0 EGABRO CC(C)n1cccc1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000097230800 219000081 /nfs/dbraw/zinc/00/00/81/219000081.db2.gz WHUMSAFFTNXDOA-UHFFFAOYSA-N 1 0 341.455 3.278 40 0 EGABRO CC[C@@H]1[N@H+](Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052439 287312735 /nfs/dbraw/zinc/31/27/35/287312735.db2.gz HLKKPSKENTXJCE-ICSRJNTNSA-N 1 0 348.462 3.208 40 0 EGABRO FC(F)(F)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCC2)COC1 ZINC000096112690 274906672 /nfs/dbraw/zinc/90/66/72/274906672.db2.gz AMXPMAZEHRXCIL-LBPRGKRZSA-N 1 0 325.334 3.269 40 0 biogenic,in-vitro EGABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccccc1 ZINC000012293295 275056773 /nfs/dbraw/zinc/05/67/73/275056773.db2.gz LCAKEVQNPLJYRL-RTBURBONSA-N 1 0 339.435 3.071 40 0 EGABRO CC[NH+]1CCN(C[C@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000019369639 276385109 /nfs/dbraw/zinc/38/51/09/276385109.db2.gz OONGEXVPSRLMAY-FQEVSTJZSA-N 1 0 346.515 3.112 40 0 EGABRO CCN(CC)Cc1nc(C2(O)CC[NH+](C3CCCC3)CC2)cs1 ZINC000225462818 279138999 /nfs/dbraw/zinc/13/89/99/279138999.db2.gz HNDQCLIKNFSURL-UHFFFAOYSA-N 1 0 337.533 3.211 40 0 biogenic,in-vitro EGABRO CCN(CC)Cc1nc(C2(O)CC[NH+](CCC(C)C)CC2)cs1 ZINC000225463063 279139137 /nfs/dbraw/zinc/13/91/37/279139137.db2.gz GKKVDAGXBOYGMP-UHFFFAOYSA-N 1 0 339.549 3.314 40 0 biogenic,in-vitro EGABRO O[C@H](C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1)c1ccccc1 ZINC000183149254 455238984 /nfs/dbraw/zinc/23/89/84/455238984.db2.gz XKIQEFSAWGGVBF-OAHLLOKOSA-N 1 0 339.361 3.272 40 0 EGABRO FC(F)(F)Oc1cccc(N2CC[C@@H]([NH2+]Cc3cncs3)C2)c1 ZINC000240894812 455265713 /nfs/dbraw/zinc/26/57/13/455265713.db2.gz IQCGITZJVYSGRS-LLVKDONJSA-N 1 0 343.374 3.410 40 0 EGABRO COc1cc(C)cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000241338691 455266300 /nfs/dbraw/zinc/26/63/00/455266300.db2.gz MDBHSGQXQWRMND-INIZCTEOSA-N 1 0 331.460 3.262 40 0 EGABRO CCOP(=O)(OCC)C(CC[NH3+])P(=O)(OCC)OCC ZINC000002583802 452706560 /nfs/dbraw/zinc/70/65/60/452706560.db2.gz FPOJOLJEOJMAHY-UHFFFAOYSA-N 1 0 331.286 3.194 40 0 EGABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]Cc3ccc4c(c3)OCO4)cc12 ZINC000003848834 452786634 /nfs/dbraw/zinc/78/66/34/452786634.db2.gz IEMXRZUACFIFNU-UHFFFAOYSA-N 1 0 336.391 3.163 40 0 EGABRO COc1cccc([C@@H]([NH3+])CCc2cc(OC)c(OC)c(OC)c2)c1 ZINC000006485037 452946504 /nfs/dbraw/zinc/94/65/04/452946504.db2.gz CTVXYHWBWWUPHZ-INIZCTEOSA-N 1 0 331.412 3.354 40 0 EGABRO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000008430648 453205017 /nfs/dbraw/zinc/20/50/17/453205017.db2.gz UEBZBJYGVYFQLW-UHFFFAOYSA-N 1 0 342.414 3.360 40 0 EGABRO CCOc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](C)O ZINC000013991832 453494995 /nfs/dbraw/zinc/49/49/95/453494995.db2.gz PSWAWCCJJQIRMK-OAHLLOKOSA-N 1 0 343.423 3.197 40 0 EGABRO O=C(Cc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015139957 453559309 /nfs/dbraw/zinc/55/93/09/453559309.db2.gz NUFYMAVRYPHGIR-UHFFFAOYSA-N 1 0 326.415 3.280 40 0 EGABRO C[C@H](Oc1ccccc1F)C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019078938 453653269 /nfs/dbraw/zinc/65/32/69/453653269.db2.gz YTAJGOVMCLMKEX-IRXDYDNUSA-N 1 0 348.462 3.460 40 0 EGABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)COc3ccc(F)cc3)CC[C@@]21C ZINC000019713331 453658995 /nfs/dbraw/zinc/65/89/95/453658995.db2.gz YJKNBVAYNLAUEQ-HKUYNNGSSA-N 1 0 334.435 3.070 40 0 EGABRO Cc1ccc(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000026439260 453800137 /nfs/dbraw/zinc/80/01/37/453800137.db2.gz CVSHUEUQPXQNIA-UHFFFAOYSA-N 1 0 333.451 3.023 40 0 EGABRO C/C1=C\CC/C(C)=C/[C@@H](O)[C@H]2[C@H](C[NH+]3CCCCC3)C(=O)O[C@H]2C1 ZINC000032109455 453864944 /nfs/dbraw/zinc/86/49/44/453864944.db2.gz PBRLWNMMGXHHMD-YMVXAFHUSA-N 1 0 333.472 3.068 40 0 EGABRO Cc1cc(N[C@H](C)c2cnccn2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190795538 455384713 /nfs/dbraw/zinc/38/47/13/455384713.db2.gz ASXWAOFUIYZMLT-QGZVFWFLSA-N 1 0 339.487 3.489 40 0 EGABRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)/C=C/c1cscn1 ZINC000076389825 453996349 /nfs/dbraw/zinc/99/63/49/453996349.db2.gz PHGKEJYLISEYIU-ROJDOSBLSA-N 1 0 341.480 3.279 40 0 EGABRO Cc1nn(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc12 ZINC000057279384 454117632 /nfs/dbraw/zinc/11/76/32/454117632.db2.gz DYUCHMBFEYOKKI-UHFFFAOYSA-N 1 0 342.487 3.160 40 0 EGABRO COC(=O)c1cccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000058087670 454163579 /nfs/dbraw/zinc/16/35/79/454163579.db2.gz YUOWCUPKAUKEJY-OAHLLOKOSA-N 1 0 347.459 3.249 40 0 EGABRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H]3CCCc4cccc2c43)C1 ZINC000130512078 454201565 /nfs/dbraw/zinc/20/15/65/454201565.db2.gz BRLLKDOCVALNIU-ZVZYQTTQSA-N 1 0 327.472 3.144 40 0 EGABRO c1coc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC000096040221 454266793 /nfs/dbraw/zinc/26/67/93/454266793.db2.gz JJXWLGXJZZLBOO-VQTJNVASSA-N 1 0 342.439 3.263 40 0 EGABRO Cc1nc(COC[C@H]2C[N@H+](CC3CCC3)Cc3ncn(C)c32)cs1 ZINC000096045041 454268267 /nfs/dbraw/zinc/26/82/67/454268267.db2.gz YLNDUEFXUSFFAM-OAHLLOKOSA-N 1 0 346.500 3.101 40 0 EGABRO COc1ccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4ccoc4)C3)C2)cc1 ZINC000096047608 454270598 /nfs/dbraw/zinc/27/05/98/454270598.db2.gz ALNHPADQVLGLED-MJGOQNOKSA-N 1 0 328.412 3.134 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CCCN3C(=O)c3ccco3)CC2)o1 ZINC000096049329 454271128 /nfs/dbraw/zinc/27/11/28/454271128.db2.gz XXCDFPFFQOZQKG-UHFFFAOYSA-N 1 0 328.412 3.452 40 0 EGABRO c1csc(C[NH+]2CCC3(CC2)CN(Cc2cccnc2)CCO3)c1 ZINC000096048930 454271316 /nfs/dbraw/zinc/27/13/16/454271316.db2.gz BWKSDBVPZAMHLB-UHFFFAOYSA-N 1 0 343.496 3.010 40 0 EGABRO c1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)cs1 ZINC000096049544 454272947 /nfs/dbraw/zinc/27/29/47/454272947.db2.gz SSFJSEBYPSUXEG-LJQANCHMSA-N 1 0 343.496 3.262 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N(CC2CC2)[C@@H]3C)s1 ZINC000096062245 454279080 /nfs/dbraw/zinc/27/90/80/454279080.db2.gz DVDJSQHSFZOEJZ-OAHLLOKOSA-N 1 0 348.512 3.048 40 0 EGABRO COCCC[N@@H+]1CCCC12CCN(C(=O)c1ccccc1C)CC2 ZINC000096075285 454279703 /nfs/dbraw/zinc/27/97/03/454279703.db2.gz KXBLJSILLBMKIQ-UHFFFAOYSA-N 1 0 330.472 3.102 40 0 EGABRO Cc1nc(CN2CCCC23CC[NH+](Cc2ccccn2)CC3)cs1 ZINC000096075300 454279992 /nfs/dbraw/zinc/27/99/92/454279992.db2.gz RHVUJKZTAZWANF-UHFFFAOYSA-N 1 0 342.512 3.477 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(C(=O)c1ccco1)CC2 ZINC000096075297 454280296 /nfs/dbraw/zinc/28/02/96/454280296.db2.gz RKYPFTSORFEGMF-UHFFFAOYSA-N 1 0 343.427 3.155 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)s1 ZINC000096072510 454280500 /nfs/dbraw/zinc/28/05/00/454280500.db2.gz LTLFTHGJBMNQKT-WMZOPIPTSA-N 1 0 330.453 3.264 40 0 EGABRO O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096090679 454281169 /nfs/dbraw/zinc/28/11/69/454281169.db2.gz ZNBFXUDSUUKNJS-CALCHBBNSA-N 1 0 339.414 3.421 40 0 EGABRO c1csc(C[NH+]2CCC3(C[C@@H](OCc4ccncc4)CO3)CC2)c1 ZINC000096106815 454284858 /nfs/dbraw/zinc/28/48/58/454284858.db2.gz RGDSSNDWKJXIQN-QGZVFWFLSA-N 1 0 344.480 3.483 40 0 EGABRO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096183042 454298408 /nfs/dbraw/zinc/29/84/08/454298408.db2.gz OQPMANAZTODYKP-HLAWJBBLSA-N 1 0 336.483 3.209 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)o1 ZINC000096184697 454299695 /nfs/dbraw/zinc/29/96/95/454299695.db2.gz LJPYBERTDVZNED-DLBZAZTESA-N 1 0 330.453 3.067 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)cs1 ZINC000096186792 454300340 /nfs/dbraw/zinc/30/03/40/454300340.db2.gz SFIUSEKCAGOJSH-QYZOEREBSA-N 1 0 344.480 3.482 40 0 EGABRO Cc1ncc([C@H](C)[NH2+]C[C@H](c2ccccc2)N2CCOCC2)s1 ZINC000090401226 454300836 /nfs/dbraw/zinc/30/08/36/454300836.db2.gz SCDANNFCYZSZIO-WMLDXEAASA-N 1 0 331.485 3.176 40 0 EGABRO C[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(=O)c1cccs1)CC2 ZINC000096208206 454304374 /nfs/dbraw/zinc/30/43/74/454304374.db2.gz OSZQWHIPGHVDDK-MRXNPFEDSA-N 1 0 348.512 3.101 40 0 EGABRO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNC(=O)C(C)C)C2)cc1 ZINC000096215385 454305696 /nfs/dbraw/zinc/30/56/96/454305696.db2.gz LTCITJNXIALGSN-CTNGQTDRSA-N 1 0 344.499 3.138 40 0 EGABRO Cc1ccsc1C[N@@H+]1C[C@H]2OC[C@@H](COc3ccc(C)nc3)[C@H]2C1 ZINC000096219581 454307449 /nfs/dbraw/zinc/30/74/49/454307449.db2.gz LCIYHDSDYJAICD-KBAYOESNSA-N 1 0 344.480 3.286 40 0 EGABRO Cc1nc(CN2CC[C@@]3(CCC[N@H+](Cc4ccoc4)C3)C2=O)cs1 ZINC000096224371 454309467 /nfs/dbraw/zinc/30/94/67/454309467.db2.gz QGJANOZGHWRSTP-GOSISDBHSA-N 1 0 345.468 3.059 40 0 EGABRO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000096436346 454347938 /nfs/dbraw/zinc/34/79/38/454347938.db2.gz USFBGUURQAIFEA-QGZVFWFLSA-N 1 0 329.444 3.163 40 0 EGABRO O=C(NCc1csc(C2CC2)n1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000096440143 454349779 /nfs/dbraw/zinc/34/97/79/454349779.db2.gz RCISWOUTAJRNKO-OAHLLOKOSA-N 1 0 348.516 3.084 40 0 EGABRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCc2cccs2)cc1 ZINC000096476359 454363241 /nfs/dbraw/zinc/36/32/41/454363241.db2.gz YLLHWAMVZGZWHM-ZDUSSCGKSA-N 1 0 338.498 3.403 40 0 EGABRO CC1(C)Cc2occc2[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000096477951 454364432 /nfs/dbraw/zinc/36/44/32/454364432.db2.gz FBLWURCRERIRCJ-MAUKXSAKSA-N 1 0 332.488 3.384 40 0 EGABRO CCc1c(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cnn1CC(C)C ZINC000096491533 454368689 /nfs/dbraw/zinc/36/86/89/454368689.db2.gz LMIOVLYVUVQXMX-MRXNPFEDSA-N 1 0 347.507 3.051 40 0 EGABRO C[C@H](CC[NH2+][C@@H]1CCCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000096491680 454368939 /nfs/dbraw/zinc/36/89/39/454368939.db2.gz ISVPSVXLECNTKR-IUODEOHRSA-N 1 0 349.418 3.366 40 0 EGABRO Cc1cc(NC(=O)NC2CC[NH+](C)CC2)nn1-c1ccccc1Cl ZINC000096495615 454370592 /nfs/dbraw/zinc/37/05/92/454370592.db2.gz YBHVMNJKPFGANE-UHFFFAOYSA-N 1 0 347.850 3.050 40 0 EGABRO NC(=O)N1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000096500120 454371949 /nfs/dbraw/zinc/37/19/49/454371949.db2.gz XFRULBWXUOENKA-UHFFFAOYSA-N 1 0 327.403 3.125 40 0 EGABRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000091060649 454374421 /nfs/dbraw/zinc/37/44/21/454374421.db2.gz XKFHEMFATZECPT-SJORKVTESA-N 1 0 340.471 3.045 40 0 EGABRO COCc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000097101292 454406571 /nfs/dbraw/zinc/40/65/71/454406571.db2.gz RRZUISQXWVUWQC-MRXNPFEDSA-N 1 0 331.460 3.173 40 0 EGABRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000097233737 454428423 /nfs/dbraw/zinc/42/84/23/454428423.db2.gz UNXCIBYIZZOHHQ-KRWDZBQOSA-N 1 0 337.427 3.432 40 0 EGABRO CCOC(=O)c1cccnc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000048314336 454471415 /nfs/dbraw/zinc/47/14/15/454471415.db2.gz KDXMJEMTMLVGCQ-OAHLLOKOSA-N 1 0 329.400 3.100 40 0 EGABRO COC(=O)c1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000048333616 454475168 /nfs/dbraw/zinc/47/51/68/454475168.db2.gz VZHZEDVKCHUDDE-HNNXBMFYSA-N 1 0 347.459 3.249 40 0 EGABRO Cn1cncc1-c1nnc([C@H]2CC[N@H+](Cc3cc4ccccc4o3)C2)o1 ZINC000049170499 454537322 /nfs/dbraw/zinc/53/73/22/454537322.db2.gz JGOXMIHEAPMPFT-AWEZNQCLSA-N 1 0 349.394 3.206 40 0 biogenic,in-vitro EGABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCC2CC2)Cc2cn(C)c3cccc1c23 ZINC000049171484 454537780 /nfs/dbraw/zinc/53/77/80/454537780.db2.gz FTMQOUZQNFCZKZ-ROUUACIJSA-N 1 0 339.483 3.306 40 0 biogenic,in-vitro EGABRO CC[C@@H]([NH2+]Cc1nc2c(nccc2C)[nH]1)c1ccc2c(c1)OCCO2 ZINC000162319999 454767495 /nfs/dbraw/zinc/76/74/95/454767495.db2.gz JUGUBUCNDSHKJJ-CQSZACIVSA-N 1 0 338.411 3.278 40 0 EGABRO c1coc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000107712379 454770231 /nfs/dbraw/zinc/77/02/31/454770231.db2.gz ISHJGZWJLXIHDY-PMACEKPBSA-N 1 0 342.439 3.263 40 0 EGABRO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CC[N@H+](Cc1ccco1)C2 ZINC000108525032 454801537 /nfs/dbraw/zinc/80/15/37/454801537.db2.gz YBJIHEIWDGJRLF-NVXWUHKLSA-N 1 0 338.398 3.186 40 0 EGABRO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCSC1 ZINC000110698703 454851174 /nfs/dbraw/zinc/85/11/74/454851174.db2.gz QTJAYFVBAJEUDB-XJKSGUPXSA-N 1 0 340.439 3.066 40 0 EGABRO COc1ccccc1[C@@H](NC(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000157169632 455170312 /nfs/dbraw/zinc/17/03/12/455170312.db2.gz XMMAXHQAMXTHMB-NRFANRHFSA-N 1 0 338.451 3.291 40 0 EGABRO O=C(NCCSCc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000183041065 455215643 /nfs/dbraw/zinc/21/56/43/455215643.db2.gz JYIWJWZLUPUEPW-UHFFFAOYSA-N 1 0 347.311 3.342 40 0 EGABRO Cc1ncsc1CC[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185441536 455558228 /nfs/dbraw/zinc/55/82/28/455558228.db2.gz GERFECPCQJOMCS-QGZVFWFLSA-N 1 0 330.432 3.246 40 0 EGABRO c1cc(COCC[C@H]2CCOC23CC[NH+](C2CCC2)CC3)ccn1 ZINC000247877846 455651130 /nfs/dbraw/zinc/65/11/30/455651130.db2.gz PAOVQFOXKUFSQP-SFHVURJKSA-N 1 0 330.472 3.412 40 0 EGABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC000248140302 455687242 /nfs/dbraw/zinc/68/72/42/455687242.db2.gz TVANRJKGPVDAOX-KVSKMBFKSA-N 1 0 339.439 3.047 40 0 EGABRO Cc1nc(C)c(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)s1 ZINC000248172598 455693815 /nfs/dbraw/zinc/69/38/15/455693815.db2.gz VBAZAVVKRLDWON-RDTXWAMCSA-N 1 0 344.528 3.198 40 0 EGABRO CO[C@H](C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 ZINC000252488334 455811089 /nfs/dbraw/zinc/81/10/89/455811089.db2.gz IPIYFOPSGGSSEO-FUHWJXTLSA-N 1 0 332.488 3.248 40 0 EGABRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)C1 ZINC000252587394 455823016 /nfs/dbraw/zinc/82/30/16/455823016.db2.gz XXPXCJDQOBXUOB-QLFBSQMISA-N 1 0 327.515 3.031 40 0 EGABRO CC(=O)c1ccc2c(c1)CC[N@@H+](CC1CCC3(CC1)OCCO3)CC2 ZINC000253428223 455846335 /nfs/dbraw/zinc/84/63/35/455846335.db2.gz CFZZEWQVSDLXTB-UHFFFAOYSA-N 1 0 343.467 3.223 40 0 EGABRO CCCn1cc(C[N@@H+]2CCCC[C@@]3(C)[C@@H]2CCC(=O)N3CC)cn1 ZINC000257300637 455887013 /nfs/dbraw/zinc/88/70/13/455887013.db2.gz RVDIYZVOPQQRSE-HKUYNNGSSA-N 1 0 332.492 3.049 40 0 EGABRO Cn1cncc1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000257307282 455887590 /nfs/dbraw/zinc/88/75/90/455887590.db2.gz SYAMZQOCQBAMOI-MRXNPFEDSA-N 1 0 333.439 3.257 40 0 EGABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)Cc3sc(C)nc3C)C2)c1 ZINC000257311956 455888697 /nfs/dbraw/zinc/88/86/97/455888697.db2.gz ULTFMKUPRBWPAJ-AWEZNQCLSA-N 1 0 344.484 3.064 40 0 EGABRO Cc1ccc(C(=O)N2CCO[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)s1 ZINC000257319415 455890846 /nfs/dbraw/zinc/89/08/46/455890846.db2.gz VSIXVGONBPTASH-MRXNPFEDSA-N 1 0 345.468 3.040 40 0 EGABRO COc1ccc2ccccc2c1C[NH+]1CCC2(CC1)OCCC[C@@H]2O ZINC000257324594 455891519 /nfs/dbraw/zinc/89/15/19/455891519.db2.gz WPJFHASFKYMQMR-FQEVSTJZSA-N 1 0 341.451 3.354 40 0 EGABRO CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@@H+]2C1CCOCC1 ZINC000257331009 455893514 /nfs/dbraw/zinc/89/35/14/455893514.db2.gz XQZMMTPIKZSPIY-ACRUOGEOSA-N 1 0 342.483 3.034 40 0 EGABRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000195575888 455987044 /nfs/dbraw/zinc/98/70/44/455987044.db2.gz FKCMAHDEESQFKX-AWEZNQCLSA-N 1 0 344.377 3.015 40 0 EGABRO CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222773691 456050467 /nfs/dbraw/zinc/05/04/67/456050467.db2.gz ZVSIYQKXLZOKQG-QZTJIDSGSA-N 1 0 349.463 3.260 40 0 EGABRO c1csc(C[N@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306137917 456567856 /nfs/dbraw/zinc/56/78/56/456567856.db2.gz RKCBXZLMELHCHT-CVEARBPZSA-N 1 0 336.464 3.311 40 0 EGABRO Cc1cc(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)no1 ZINC000329084025 456830013 /nfs/dbraw/zinc/83/00/13/456830013.db2.gz SZFUSWQLGQVIBL-RCCFBDPRSA-N 1 0 339.439 3.002 40 0 EGABRO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@@H+](CC(C)C)CC3)cs1 ZINC000585100026 459823346 /nfs/dbraw/zinc/82/33/46/459823346.db2.gz CPUKEBNPVZKHPC-GOSISDBHSA-N 1 0 335.517 3.455 40 0 EGABRO Cc1noc(C)c1CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1 ZINC000585108918 459824903 /nfs/dbraw/zinc/82/49/03/459824903.db2.gz DIJNLKATUOAFLB-ROUUACIJSA-N 1 0 331.460 3.047 40 0 EGABRO Cc1ccc(C[C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)cn1 ZINC000585181350 459831161 /nfs/dbraw/zinc/83/11/61/459831161.db2.gz YVZXUFUTWZDJGZ-LJQANCHMSA-N 1 0 329.488 3.047 40 0 EGABRO Cc1ccc(C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)cn1 ZINC000585181349 459831224 /nfs/dbraw/zinc/83/12/24/459831224.db2.gz YVZXUFUTWZDJGZ-IBGZPJMESA-N 1 0 329.488 3.047 40 0 EGABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc3ccccc3n2)cc1 ZINC000585182281 459831623 /nfs/dbraw/zinc/83/16/23/459831623.db2.gz QBXDPRONCDOLIL-FQEVSTJZSA-N 1 0 347.418 3.030 40 0 EGABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000585290648 459833925 /nfs/dbraw/zinc/83/39/25/459833925.db2.gz ZKFRJSVFSDLHMV-XUVXKRRUSA-N 1 0 329.415 3.319 40 0 EGABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000585289245 459833930 /nfs/dbraw/zinc/83/39/30/459833930.db2.gz OPDQZNUUMPABAS-XUVXKRRUSA-N 1 0 329.415 3.319 40 0 EGABRO Cc1nc(NC[C@H]2[N@H+](C)CCCC2(C)C)cc(-c2cccnc2)n1 ZINC000684091588 550290099 /nfs/dbraw/zinc/29/00/99/550290099.db2.gz VQQRWONYQCKGHM-QGZVFWFLSA-N 1 0 325.460 3.379 40 0 EGABRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000054227382 214226096 /nfs/dbraw/zinc/22/60/96/214226096.db2.gz DNFWKBCUWWXBNC-KRWDZBQOSA-N 1 0 336.435 3.132 40 0 EGABRO CC(C)N(C)c1cccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000102716286 219224764 /nfs/dbraw/zinc/22/47/64/219224764.db2.gz IVZFVJLCASNTHN-GOSISDBHSA-N 1 0 328.460 3.009 40 0 EGABRO CC(C)(C)C[NH2+]C1(Cc2cc(COc3ccccc3)on2)COC1 ZINC000067898184 215246014 /nfs/dbraw/zinc/24/60/14/215246014.db2.gz VJOZNSSIIVDWIB-UHFFFAOYSA-N 1 0 330.428 3.201 40 0 biogenic,in-vitro EGABRO CC1(C)CN([C@@H](C[NH2+]Cc2cc[nH]n2)c2ccc(Cl)cc2)CCO1 ZINC000103345949 219292627 /nfs/dbraw/zinc/29/26/27/219292627.db2.gz OTNNOFIGFFJXNE-KRWDZBQOSA-N 1 0 348.878 3.005 40 0 EGABRO COCC[N@@H+]1CCC[C@H](c2cc(Nc3cccc(C)n3)nc(C)n2)C1 ZINC000072360196 216166427 /nfs/dbraw/zinc/16/64/27/216166427.db2.gz DFHOSCWZEZYEPR-INIZCTEOSA-N 1 0 341.459 3.058 40 0 EGABRO CCCn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3ccnc3)n2)cn1 ZINC000072366772 216172119 /nfs/dbraw/zinc/17/21/19/216172119.db2.gz QNTAMOGMCLZEFS-GOSISDBHSA-N 1 0 336.443 3.211 40 0 EGABRO Cc1n[nH]c(C)c1NC(=O)CCc1cc(C)nc([C@@H]2CCC[N@H+]2C)c1 ZINC000072366901 216172962 /nfs/dbraw/zinc/17/29/62/216172962.db2.gz VELDVJGYBGARMP-KRWDZBQOSA-N 1 0 341.459 3.068 40 0 EGABRO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@H+]3CC(C)C)n2)n1 ZINC000072376204 216178826 /nfs/dbraw/zinc/17/88/26/216178826.db2.gz AGUNBFNAHAIOPS-MRXNPFEDSA-N 1 0 326.448 3.420 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cncc(-n3ccnc3)n2)cc1 ZINC000072378688 216181715 /nfs/dbraw/zinc/18/17/15/216181715.db2.gz VCPOLHCHMUVOAO-SFHVURJKSA-N 1 0 335.411 3.008 40 0 EGABRO CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)cc1 ZINC000072373026 216177510 /nfs/dbraw/zinc/17/75/10/216177510.db2.gz FJTVJHXCTOVNSX-JKSUJKDBSA-N 1 0 339.439 3.021 40 0 EGABRO CC(C)[NH+]1CCN(Cc2c3cccnc3[nH]c2C(F)(F)F)CC1 ZINC000072393701 216192531 /nfs/dbraw/zinc/19/25/31/216192531.db2.gz FNYBISPDUUDPRH-UHFFFAOYSA-N 1 0 326.366 3.108 40 0 EGABRO O=C(Cc1ccc(F)cc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023128059 212352384 /nfs/dbraw/zinc/35/23/84/212352384.db2.gz IPUGVZJNTFTJJF-UHFFFAOYSA-N 1 0 346.471 3.458 40 0 EGABRO C[NH+](C)[C@H](CNC(=O)NCCCc1ccccc1)c1ccsc1 ZINC000022679010 212316618 /nfs/dbraw/zinc/31/66/18/212316618.db2.gz MHXKZUKTQNCDAK-QGZVFWFLSA-N 1 0 331.485 3.283 40 0 EGABRO Cc1cccn2c(CN3CC[NH2+]CC3)c(-c3ccc(Cl)cc3)nc12 ZINC000022464983 212299939 /nfs/dbraw/zinc/29/99/39/212299939.db2.gz OWPQAJMETDCSIK-UHFFFAOYSA-N 1 0 340.858 3.368 40 0 EGABRO c1cc2c(ncnc2NCC2([NH+]3CCOCC3)CCCCC2)s1 ZINC000022344199 212291979 /nfs/dbraw/zinc/29/19/79/212291979.db2.gz FHUWTOCMPLTSLU-UHFFFAOYSA-N 1 0 332.473 3.138 40 0 EGABRO O=Cc1ccc(OCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000217794308 241274824 /nfs/dbraw/zinc/27/48/24/241274824.db2.gz YQLBBRJYVCHPHB-UHFFFAOYSA-N 1 0 338.451 3.480 40 0 EGABRO O=S(=O)(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000224663880 241772646 /nfs/dbraw/zinc/77/26/46/241772646.db2.gz IAUNFGVVODUADV-UHFFFAOYSA-N 1 0 344.480 3.151 40 0 EGABRO c1nn([C@@H]2CC[N@@H+](CC3CCC4(CC3)OCCO4)C2)c2ccccc12 ZINC000253427741 243969440 /nfs/dbraw/zinc/96/94/40/243969440.db2.gz AMSUOSULIBVEOU-GOSISDBHSA-N 1 0 341.455 3.216 40 0 EGABRO Cc1nc2sccn2c1C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000257212548 244156473 /nfs/dbraw/zinc/15/64/73/244156473.db2.gz CDXVHKPROVHFSE-CQSZACIVSA-N 1 0 327.457 3.182 40 0 EGABRO c1ccc(CC[NH+]2CCC3(CO[C@@H](Cc4cnccn4)C3)CC2)cc1 ZINC000257246508 244257564 /nfs/dbraw/zinc/25/75/64/244257564.db2.gz IUJSIGJJTHOEKI-FQEVSTJZSA-N 1 0 337.467 3.133 40 0 EGABRO O=C(c1cccs1)N(c1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257259413 244293333 /nfs/dbraw/zinc/29/33/33/244293333.db2.gz KYGILJLQIVGIJW-MRXNPFEDSA-N 1 0 342.464 3.306 40 0 EGABRO Cn1ccc2cc(C[C@@H]3COCC[N@H+](Cc4ccncc4)C3)ccc21 ZINC000257277646 244397010 /nfs/dbraw/zinc/39/70/10/244397010.db2.gz NYVNCSRNFXILTB-IBGZPJMESA-N 1 0 335.451 3.264 40 0 EGABRO COc1ccc2[nH]c(C[N@@H+]3CC[C@@H]4[C@@H](C3)CCCC(=O)N4C)cc2c1 ZINC000257293051 244441010 /nfs/dbraw/zinc/44/10/10/244441010.db2.gz QNYBJVADANUPHO-AUUYWEPGSA-N 1 0 341.455 3.009 40 0 EGABRO C[NH+](C)CCN(Cc1cnn(C2CCCCC2)c1)Cc1cccnc1 ZINC000019582651 212047213 /nfs/dbraw/zinc/04/72/13/212047213.db2.gz QNUQTKQOAZNIIJ-UHFFFAOYSA-N 1 0 341.503 3.347 40 0 EGABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)[nH]c(=O)c1C ZINC000019555372 212040456 /nfs/dbraw/zinc/04/04/56/212040456.db2.gz CYFCEWZIPWHXKF-GOSISDBHSA-N 1 0 348.450 3.315 40 0 EGABRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2c2ccc(F)cc2)cc1OC ZINC000019561252 212042650 /nfs/dbraw/zinc/04/26/50/212042650.db2.gz KNDKMKZTOQBAFA-DLBZAZTESA-N 1 0 331.387 3.115 40 0 EGABRO CCOc1ccc(CN2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000019363316 212021371 /nfs/dbraw/zinc/02/13/71/212021371.db2.gz VAEVETGCFLHVTR-ZCNNSNEGSA-N 1 0 326.484 3.415 40 0 EGABRO c1cnc2ccc(CN3CCc4nc([C@H]5CCC[NH2+]5)ncc4C3)cc2c1 ZINC000019347043 212019512 /nfs/dbraw/zinc/01/95/12/212019512.db2.gz FQFIDIIHGRRAPT-HXUWFJFHSA-N 1 0 345.450 3.008 40 0 EGABRO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000019237572 212008399 /nfs/dbraw/zinc/00/83/99/212008399.db2.gz PRBXNFMDAVTLIY-GOSISDBHSA-N 1 0 326.488 3.181 40 0 EGABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](Cc4cccc(F)c4F)C[C@H]32)nc1 ZINC000019216017 212005786 /nfs/dbraw/zinc/00/57/86/212005786.db2.gz RJGHFRQPKFAXPQ-NBQZKYEYSA-N 1 0 344.405 3.398 40 0 EGABRO CS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000110646099 220051766 /nfs/dbraw/zinc/05/17/66/220051766.db2.gz PQZVUHZHPRKMHH-RWMBFGLXSA-N 1 0 338.439 3.003 40 0 EGABRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](C[C@@H](O)COC(C)(C)C)C3)nc2c1 ZINC000110705895 220059517 /nfs/dbraw/zinc/05/95/17/220059517.db2.gz XKOYWPCBIOFVOA-JKSUJKDBSA-N 1 0 345.487 3.227 40 0 EGABRO Cc1nc2cc(C(=O)NCCC[NH+]3Cc4ccccc4C3)ccc2[nH]1 ZINC000012147203 211306424 /nfs/dbraw/zinc/30/64/24/211306424.db2.gz ISVACOXPZUGJCZ-UHFFFAOYSA-N 1 0 334.423 3.007 40 0 EGABRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1coc2ccccc12 ZINC000092585443 218151345 /nfs/dbraw/zinc/15/13/45/218151345.db2.gz MUZQIRJRVNQBRA-ZDUSSCGKSA-N 1 0 344.436 3.273 40 0 EGABRO COC[C@@H]1CCC[N@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093337332 218216002 /nfs/dbraw/zinc/21/60/02/218216002.db2.gz LVCAMNIOPOWGCM-LJQANCHMSA-N 1 0 327.472 3.407 40 0 EGABRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000097373759 219017102 /nfs/dbraw/zinc/01/71/02/219017102.db2.gz MGZNKUJCDLLXQN-SFHVURJKSA-N 1 0 326.444 3.268 40 0 EGABRO C[C@@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1cnn(C)c1 ZINC000097373413 219017331 /nfs/dbraw/zinc/01/73/31/219017331.db2.gz NRBBGKNDOWVUEZ-CQSZACIVSA-N 1 0 336.480 3.108 40 0 EGABRO Cc1cc2[nH]c(CC(=O)N[C@@H](C)C[NH+]3CCCCCC3)nc2c(C)c1 ZINC000019568366 292022743 /nfs/dbraw/zinc/02/27/43/292022743.db2.gz ORJHIEMZPQDNFA-INIZCTEOSA-N 1 0 342.487 3.103 40 0 EGABRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@H]2CCSC2)CC1 ZINC000122410369 222080177 /nfs/dbraw/zinc/08/01/77/222080177.db2.gz BEGCIEAURAUKHM-SFHVURJKSA-N 1 0 347.528 3.106 40 0 EGABRO Cc1ccc(O[C@H](C)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000048325629 274755759 /nfs/dbraw/zinc/75/57/59/274755759.db2.gz SQEVYQSXVMMQGW-VQIMIIECSA-N 1 0 326.440 3.181 40 0 EGABRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)CC(F)(F)F)c1ccccc1O2 ZINC000096079738 277035873 /nfs/dbraw/zinc/03/58/73/277035873.db2.gz JNEXUASYBKAWHD-ZDUSSCGKSA-N 1 0 342.361 3.043 40 0 EGABRO CNC(=O)N[C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccc(C)cc21 ZINC000096241801 277238269 /nfs/dbraw/zinc/23/82/69/277238269.db2.gz JDMJTDAYKCOKOX-GOSISDBHSA-N 1 0 327.472 3.112 40 0 EGABRO CCOc1ccc([C@@]2(O)[C@@H](C)[N+](c3ccccc3)=C3CCCN32)cc1 ZINC000035682894 279964975 /nfs/dbraw/zinc/96/49/75/279964975.db2.gz WPECARLCIGYCFT-IERDGZPVSA-N 1 0 337.443 3.344 40 0 EGABRO O=C(c1ccc(Cl)s1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085473210 280184866 /nfs/dbraw/zinc/18/48/66/280184866.db2.gz LUPRMLRXTCZQLW-GFCCVEGCSA-N 1 0 344.933 3.445 40 0 EGABRO CCSc1ccc([C@@H](C)NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000129890969 323219344 /nfs/dbraw/zinc/21/93/44/323219344.db2.gz RCPAIPNSRWVRPU-HUUCEWRRSA-N 1 0 335.517 3.453 40 0 EGABRO CC(C)[C@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(F)cc1F ZINC000130350582 323219568 /nfs/dbraw/zinc/21/95/68/323219568.db2.gz DINCZISZMLOAAK-GUYCJALGSA-N 1 0 339.430 3.255 40 0 EGABRO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000189900234 455251726 /nfs/dbraw/zinc/25/17/26/455251726.db2.gz VTOCZENKZMWWPM-LIRRHRJNSA-N 1 0 325.387 3.396 40 0 EGABRO CCCOC(C(=O)OCC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001608966 452669062 /nfs/dbraw/zinc/66/90/62/452669062.db2.gz XQTSGIHBALDETG-UHFFFAOYSA-N 1 0 341.451 3.462 40 0 EGABRO CC(=O)N(C)C1=Nc2ccc(Cl)cc2C(c2ccccc2)[N+](=O)C1 ZINC000001677760 452674566 /nfs/dbraw/zinc/67/45/66/452674566.db2.gz HXTHYOABCQCIOL-UHFFFAOYSA-N 1 0 341.798 3.210 40 0 EGABRO OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCCOc3c(Br)cccc32)C1 ZINC000183576386 455308267 /nfs/dbraw/zinc/30/82/67/455308267.db2.gz QVGKHHIYRRJUKJ-YWPYICTPSA-N 1 0 338.245 3.189 40 0 EGABRO C[NH+](C)Cc1ccc(CNC(=O)COc2ccccc2Cl)cc1 ZINC000008431013 453205195 /nfs/dbraw/zinc/20/51/95/453205195.db2.gz FZDLHMHZSZAVHH-UHFFFAOYSA-N 1 0 332.831 3.097 40 0 EGABRO COc1ccc(OCCCC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000010541010 453295476 /nfs/dbraw/zinc/29/54/76/453295476.db2.gz GWGIBIIRPINZKR-UHFFFAOYSA-N 1 0 348.487 3.092 40 0 EGABRO Cc1cc2nc([C@@H]3CCC[N@H+](CCCc4ccccc4)C3)cc(N)n2n1 ZINC000012667416 453391497 /nfs/dbraw/zinc/39/14/97/453391497.db2.gz JMPQJZMZFPOLBB-GOSISDBHSA-N 1 0 349.482 3.432 40 0 EGABRO Cc1[nH]c2ccc(C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2c1C ZINC000012981639 453433238 /nfs/dbraw/zinc/43/32/38/453433238.db2.gz LXFIUVVMAROKNN-ZIAGYGMSSA-N 1 0 343.471 3.014 40 0 EGABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019020552 453653021 /nfs/dbraw/zinc/65/30/21/453653021.db2.gz YJUSVJJBPYRCTR-HXUWFJFHSA-N 1 0 341.430 3.310 40 0 EGABRO Cn1cc(CN2[C@H](Cc3ccccc3)C[C@@H]3[NH2+]CCCCC[C@H]32)cn1 ZINC000019712896 453659046 /nfs/dbraw/zinc/65/90/46/453659046.db2.gz ASKAANUMVZIVON-QHAWAJNXSA-N 1 0 338.499 3.138 40 0 EGABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(F)cc2F)C1 ZINC000044080818 454088108 /nfs/dbraw/zinc/08/81/08/454088108.db2.gz VLSMKMJEIRKFJE-LBPRGKRZSA-N 1 0 327.444 3.373 40 0 EGABRO O=C(NC1CCCC1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccsc3)C[C@H]21 ZINC000096043340 454267562 /nfs/dbraw/zinc/26/75/62/454267562.db2.gz BNIBCCIAIJKPIU-FGTMMUONSA-N 1 0 348.512 3.034 40 0 EGABRO O=C(c1cccnc1)N1CCC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096047037 454269375 /nfs/dbraw/zinc/26/93/75/454269375.db2.gz FOOKPZAUJICEBT-LJQANCHMSA-N 1 0 341.480 3.271 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)o1 ZINC000096049248 454271075 /nfs/dbraw/zinc/27/10/75/454271075.db2.gz VIMPNPDFSNVVCG-UHFFFAOYSA-N 1 0 346.452 3.048 40 0 EGABRO c1csc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049539 454273088 /nfs/dbraw/zinc/27/30/88/454273088.db2.gz HMCBSXYMUVTODJ-IBGZPJMESA-N 1 0 343.496 3.262 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)o1 ZINC000096056577 454274037 /nfs/dbraw/zinc/27/40/37/454274037.db2.gz BSRSDRYPNQZIKC-IAGOWNOFSA-N 1 0 345.468 3.118 40 0 EGABRO c1cc(C[N@H+]2CCc3ncc(CNc4ccccn4)n3CC2)cs1 ZINC000096067937 454278124 /nfs/dbraw/zinc/27/81/24/454278124.db2.gz UCOREIBVHVKDES-UHFFFAOYSA-N 1 0 339.468 3.010 40 0 EGABRO O=C(CCc1cccnc1)N1CC[C@@]2(CCC[N@@H+]2CC2CCCC2)C1 ZINC000096071077 454278975 /nfs/dbraw/zinc/27/89/75/454278975.db2.gz FRQVIBWTJKZJRE-NRFANRHFSA-N 1 0 341.499 3.271 40 0 EGABRO CN(C)C(=O)CC1CCC2(CC1)CC[NH+](Cc1cccnc1)CC2 ZINC000096159362 454295541 /nfs/dbraw/zinc/29/55/41/454295541.db2.gz DNIMXBRSCMAEGZ-UHFFFAOYSA-N 1 0 329.488 3.332 40 0 EGABRO COc1ccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)cc1 ZINC000096187630 454299839 /nfs/dbraw/zinc/29/98/39/454299839.db2.gz SAUPEKNPOMHONS-UHFFFAOYSA-N 1 0 346.434 3.148 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2cccs2)o1 ZINC000096184696 454300113 /nfs/dbraw/zinc/30/01/13/454300113.db2.gz ISCQBIWANLADMG-DLBZAZTESA-N 1 0 330.453 3.067 40 0 EGABRO Cc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4ccncc4)C3)C2)n1 ZINC000096216141 454304909 /nfs/dbraw/zinc/30/49/09/454304909.db2.gz PDWXTBQEVLEPIE-NRFANRHFSA-N 1 0 336.483 3.273 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238797 454310969 /nfs/dbraw/zinc/31/09/69/454310969.db2.gz NJRRRHABNRMZIC-IBGZPJMESA-N 1 0 343.402 3.060 40 0 EGABRO Cc1nc[nH]c1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1ccccn1 ZINC000096249017 454312001 /nfs/dbraw/zinc/31/20/01/454312001.db2.gz AOTDVSKOAHMPFS-GVDBMIGSSA-N 1 0 325.460 3.073 40 0 EGABRO Cc1ncsc1CC[NH+]1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000096414826 454331109 /nfs/dbraw/zinc/33/11/09/454331109.db2.gz ICQXORPLHHBMQS-UHFFFAOYSA-N 1 0 344.484 3.048 40 0 EGABRO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000096424516 454338508 /nfs/dbraw/zinc/33/85/08/454338508.db2.gz STGOPCOAFXHJKT-KRWDZBQOSA-N 1 0 326.444 3.419 40 0 EGABRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccnc(Cl)c1 ZINC000096432968 454343323 /nfs/dbraw/zinc/34/33/23/454343323.db2.gz FLVYHXOOYNCOTP-MRXNPFEDSA-N 1 0 343.858 3.329 40 0 EGABRO Cc1ccc(CC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000096444853 454351822 /nfs/dbraw/zinc/35/18/22/454351822.db2.gz CQMYRDIJXVGLMJ-HXUWFJFHSA-N 1 0 337.467 3.056 40 0 EGABRO CC1(C)Cc2occc2[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000096477953 454363804 /nfs/dbraw/zinc/36/38/04/454363804.db2.gz FBLWURCRERIRCJ-YJBOKZPZSA-N 1 0 332.488 3.384 40 0 EGABRO C[C@H]([NH2+]Cc1ccnc(N2CCO[C@@H](C)C2)c1)c1cccc(F)c1 ZINC000096479022 454363970 /nfs/dbraw/zinc/36/39/70/454363970.db2.gz WAWFYCZEFQWQGU-GJZGRUSLSA-N 1 0 329.419 3.297 40 0 EGABRO Cc1cc(CNc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)o1 ZINC000096489070 454368501 /nfs/dbraw/zinc/36/85/01/454368501.db2.gz KZBRVBVWBSHNDE-QGZVFWFLSA-N 1 0 341.455 3.206 40 0 EGABRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)on1 ZINC000096492232 454369819 /nfs/dbraw/zinc/36/98/19/454369819.db2.gz FGTKCFHXHFHNPB-AWEZNQCLSA-N 1 0 336.395 3.334 40 0 EGABRO COc1ccccc1NC1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000096493111 454370047 /nfs/dbraw/zinc/37/00/47/454370047.db2.gz VEZRRULFPBLUBW-PZJWPPBQSA-N 1 0 338.451 3.230 40 0 EGABRO CC(C)[NH+]1CCN(C(=O)CCc2cccc(Cl)c2Cl)CC1 ZINC000047840944 454412078 /nfs/dbraw/zinc/41/20/78/454412078.db2.gz QQCVQEHXAIATEO-UHFFFAOYSA-N 1 0 329.271 3.479 40 0 EGABRO CCCS(=O)(=O)Nc1cccc(NC2CC[NH+](C(C)C)CC2)c1 ZINC000097238237 454428903 /nfs/dbraw/zinc/42/89/03/454428903.db2.gz HXYKGANACVCSHC-UHFFFAOYSA-N 1 0 339.505 3.123 40 0 EGABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1cccc(Br)c1 ZINC000073642217 454463607 /nfs/dbraw/zinc/46/36/07/454463607.db2.gz HRTFWLQOVNTRMV-UHFFFAOYSA-N 1 0 344.212 3.111 40 0 EGABRO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCCO2 ZINC000048341513 454475164 /nfs/dbraw/zinc/47/51/64/454475164.db2.gz WTDTXAIQQNWHRV-IBGZPJMESA-N 1 0 340.423 3.044 40 0 EGABRO COC(=O)c1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000048353876 454477167 /nfs/dbraw/zinc/47/71/67/454477167.db2.gz LXPJDRSQXBWTPO-OAHLLOKOSA-N 1 0 347.459 3.107 40 0 EGABRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](c3nnc(C(C)(C)C)o3)C2)cc1 ZINC000049170678 454537350 /nfs/dbraw/zinc/53/73/50/454537350.db2.gz XSGWSKPJKAXMOB-HNNXBMFYSA-N 1 0 342.443 3.315 40 0 biogenic,in-vitro EGABRO Cc1cc(Br)cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000124415670 454729688 /nfs/dbraw/zinc/72/96/88/454729688.db2.gz PVMMBEDYSWNMQO-HNNXBMFYSA-N 1 0 337.261 3.068 40 0 EGABRO c1cc(C[NH+]2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)cs1 ZINC000108531924 454801417 /nfs/dbraw/zinc/80/14/17/454801417.db2.gz HJWNDZNCPNYBBB-MRXNPFEDSA-N 1 0 344.484 3.164 40 0 EGABRO Cc1ncsc1C[N@@H+]1CCC2(CC(NC(=O)c3ccsc3)C2)C1 ZINC000108528337 454801506 /nfs/dbraw/zinc/80/15/06/454801506.db2.gz JHWCJKDMXABEET-UHFFFAOYSA-N 1 0 347.509 3.298 40 0 EGABRO C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H](C)N1CC[C@@H]1CCCCO1 ZINC000170608600 454941229 /nfs/dbraw/zinc/94/12/29/454941229.db2.gz UIMCRFFZMZMAPL-YRPNKDGESA-N 1 0 338.536 3.299 40 0 EGABRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000127633559 454983734 /nfs/dbraw/zinc/98/37/34/454983734.db2.gz DYVQBLGENUZNRC-FZKQIMNGSA-N 1 0 346.425 3.266 40 0 EGABRO CC(C)(C)c1cc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)no1 ZINC000155885060 455057437 /nfs/dbraw/zinc/05/74/37/455057437.db2.gz XQFYDKIREBWNPT-CQSZACIVSA-N 1 0 334.464 3.312 40 0 EGABRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1cccc(-n2ccnc2)c1 ZINC000156123671 455083461 /nfs/dbraw/zinc/08/34/61/455083461.db2.gz IEYBNWRDJCUEPD-HNNXBMFYSA-N 1 0 327.428 3.209 40 0 EGABRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1cccc(-n2cccn2)c1 ZINC000156151834 455087201 /nfs/dbraw/zinc/08/72/01/455087201.db2.gz WQWDWBQIXWKHTB-OAHLLOKOSA-N 1 0 327.428 3.209 40 0 EGABRO O=C(C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)NCc1ccccc1 ZINC000192051421 455548506 /nfs/dbraw/zinc/54/85/06/455548506.db2.gz MBMNNBCJRHSKAR-PKOBYXMFSA-N 1 0 344.842 3.076 40 0 EGABRO C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CCN(C(=O)C1CCCCC1)CC2 ZINC000247965668 455661674 /nfs/dbraw/zinc/66/16/74/455661674.db2.gz ICVCSJHVTNDVIH-LJQANCHMSA-N 1 0 348.531 3.164 40 0 EGABRO CCC(=O)N1CCC[C@@H]([N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C)C1 ZINC000253589232 455854016 /nfs/dbraw/zinc/85/40/16/455854016.db2.gz WZZBILPILIBLTG-GDBMZVCRSA-N 1 0 346.471 3.024 40 0 EGABRO CC(C)n1ccnc1C[N@H+]1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257282985 455881817 /nfs/dbraw/zinc/88/18/17/455881817.db2.gz OWDTUYOWASQNJD-BPQIPLTHSA-N 1 0 326.444 3.148 40 0 EGABRO Cc1ccsc1C(=O)N1CCO[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257287462 455882985 /nfs/dbraw/zinc/88/29/85/455882985.db2.gz PQCAZYSRFKLENH-MRXNPFEDSA-N 1 0 345.468 3.040 40 0 EGABRO Cc1nc(C(=O)N2CCCC[C@@H]3[C@@H]2C[C@H](c2ccccc2)[N@@H+]3C)co1 ZINC000257288801 455883845 /nfs/dbraw/zinc/88/38/45/455883845.db2.gz PVTHIKGPDPAYOP-QRVBRYPASA-N 1 0 339.439 3.423 40 0 EGABRO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccnc(CNC(C)=O)c1 ZINC000257298605 455884897 /nfs/dbraw/zinc/88/48/97/455884897.db2.gz RMLQXSFAWOCGFI-LJQANCHMSA-N 1 0 339.439 3.063 40 0 EGABRO O=C(c1ccccn1)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000257316793 455890860 /nfs/dbraw/zinc/89/08/60/455890860.db2.gz VHAHHTVOQDSHHB-IHPCNDPISA-N 1 0 335.451 3.222 40 0 EGABRO CCC[NH+]1CCC(N[C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000195553441 455984068 /nfs/dbraw/zinc/98/40/68/455984068.db2.gz ADWGECQVGMNCFQ-IBGZPJMESA-N 1 0 330.451 3.113 40 0 EGABRO CN(C)c1cc(C(=O)OC2CC[NH+](Cc3ccsc3)CC2)ccn1 ZINC000195568077 455986439 /nfs/dbraw/zinc/98/64/39/455986439.db2.gz FIEMHYWZGLANGP-UHFFFAOYSA-N 1 0 345.468 3.031 40 0 EGABRO COc1cc(-c2noc(C[N@@H+]3CCC[C@@H]3C)n2)cc(Cl)c1OC ZINC000225494457 456087470 /nfs/dbraw/zinc/08/74/70/456087470.db2.gz NAEDSHNUFAVEEM-JTQLQIEISA-N 1 0 337.807 3.392 40 0 EGABRO O=C(CCc1ccc(O)cc1)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000225586122 456094638 /nfs/dbraw/zinc/09/46/38/456094638.db2.gz RIWJMOKAMWKVAR-UHFFFAOYSA-N 1 0 344.480 3.167 40 0 EGABRO Nc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccn1 ZINC000225614712 456098993 /nfs/dbraw/zinc/09/89/93/456098993.db2.gz AHKXTCYGHZPTFY-WOJBJXKFSA-N 1 0 336.483 3.150 40 0 EGABRO c1nc2n(c1-c1ccccc1)C[C@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306134843 456567491 /nfs/dbraw/zinc/56/74/91/456567491.db2.gz NZLKKQREBNZUGH-RBUKOAKNSA-N 1 0 330.435 3.249 40 0 EGABRO Cc1ccsc1C[N@@H+]1C[C@H]2OC[C@@H](CNc3ccccn3)[C@H]2C1 ZINC000306143422 456569187 /nfs/dbraw/zinc/56/91/87/456569187.db2.gz YCAFLQQADCGACF-BZUAXINKSA-N 1 0 329.469 3.010 40 0 EGABRO O=C(c1cccs1)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408611500 457584422 /nfs/dbraw/zinc/58/44/22/457584422.db2.gz SMYXAKKCTWOWRQ-KRWDZBQOSA-N 1 0 326.465 3.411 40 0 EGABRO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccco1)C2 ZINC000503832921 458726054 /nfs/dbraw/zinc/72/60/54/458726054.db2.gz YBJIHEIWDGJRLF-RDJZCZTQSA-N 1 0 338.398 3.186 40 0 EGABRO C[N@H+](CCc1ccccn1)[C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585290623 459833854 /nfs/dbraw/zinc/83/38/54/459833854.db2.gz YRMAVGWTMNXDTC-XUVXKRRUSA-N 1 0 344.430 3.056 40 0 EGABRO CN(Cc1ccccc1)C(=O)c1ccccc1-n1cc(C[NH+](C)C)cn1 ZINC000257257524 536060186 /nfs/dbraw/zinc/06/01/86/536060186.db2.gz KQAKTOFNIUDUKO-UHFFFAOYSA-N 1 0 348.450 3.206 40 0 EGABRO Fc1ccc(C[N@@H+]2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@H]3C2)cc1 ZINC000306129614 547459882 /nfs/dbraw/zinc/45/98/82/547459882.db2.gz IIGCIKXSOAARGS-AEFFLSMTSA-N 1 0 334.398 3.313 40 0 EGABRO Cc1nc(NC[C@@H]2[N@H+](C)CCCC2(C)C)cc(-c2cccnc2)n1 ZINC000684091580 550290128 /nfs/dbraw/zinc/29/01/28/550290128.db2.gz VQQRWONYQCKGHM-KRWDZBQOSA-N 1 0 325.460 3.379 40 0 EGABRO O=C(NCc1ccc(O)c(F)c1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684805727 550371246 /nfs/dbraw/zinc/37/12/46/550371246.db2.gz PPJOLMZCEOZUKC-INIZCTEOSA-N 1 0 349.450 3.128 40 0 EGABRO C[NH+](C)CCCN(C[C@H]1CCOC(C)(C)C1)C(=O)c1cccs1 ZINC000027579202 1291290380 /nfs/dbraw/zinc/29/03/80/1291290380.db2.gz YQBSXYZQCCPIQC-HNNXBMFYSA-N 1 0 338.517 3.347 40 0 EGABRO CCOc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccc(F)cc3)cc2c1 ZINC000004639559 210237405 /nfs/dbraw/zinc/23/74/05/210237405.db2.gz LPIAREIBOQMXPT-UHFFFAOYSA-N 1 0 326.371 3.356 40 0 EGABRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000225463648 282911756 /nfs/dbraw/zinc/91/17/56/282911756.db2.gz YNHLVYJCDLCJSA-HZSPNIEDSA-N 1 0 328.382 3.156 40 0 EGABRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cnn(C(C)(C)C)c1 ZINC000183396604 235049078 /nfs/dbraw/zinc/04/90/78/235049078.db2.gz PSWAXIAVMHAQMB-QAPCUYQASA-N 1 0 327.476 3.356 40 0 EGABRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1=CCOCC1 ZINC000184385078 235383976 /nfs/dbraw/zinc/38/39/76/235383976.db2.gz YBSBJMZJIPIEJM-UHFFFAOYSA-N 1 0 348.874 3.015 40 0 EGABRO Cc1noc(C)c1CC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000036753150 213117120 /nfs/dbraw/zinc/11/71/20/213117120.db2.gz YWEKZUCUVYGXTF-IBGZPJMESA-N 1 0 341.455 3.177 40 0 EGABRO O=C(C1CCC1)N1C[C@@H]2CCCC[N@@H+](CCc3ccc(F)cc3)[C@@H]2C1 ZINC000072330632 216154557 /nfs/dbraw/zinc/15/45/57/216154557.db2.gz BOFPKDAXWDVAJI-AZUAARDMSA-N 1 0 344.474 3.481 40 0 EGABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4cccs4)C3)cc(N)n2n1 ZINC000072339772 216156778 /nfs/dbraw/zinc/15/67/78/216156778.db2.gz LHHSZKHYHTWOEA-ZDUSSCGKSA-N 1 0 327.457 3.061 40 0 EGABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-n3ccnc3)C2)cc1 ZINC000072350500 216162597 /nfs/dbraw/zinc/16/25/97/216162597.db2.gz XVUSYDGHMPNZFY-INIZCTEOSA-N 1 0 337.402 3.181 40 0 EGABRO COCC[N@@H+]1CCC[C@H](c2cncc(Oc3ccccc3OC)n2)C1 ZINC000072361792 216168015 /nfs/dbraw/zinc/16/80/15/216168015.db2.gz RXWURUKYECKVEB-HNNXBMFYSA-N 1 0 343.427 3.103 40 0 EGABRO COc1ccc(CN(CC[NH+](C)C)Cc2cccnc2)c(C)c1C ZINC000022931615 212336540 /nfs/dbraw/zinc/33/65/40/212336540.db2.gz OFBYDTJLUAFPML-UHFFFAOYSA-N 1 0 327.472 3.271 40 0 EGABRO Nc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccn1 ZINC000193402039 240150690 /nfs/dbraw/zinc/15/06/90/240150690.db2.gz AHKXTCYGHZPTFY-UXHICEINSA-N 1 0 336.483 3.150 40 0 EGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@H]2C[NH3+])cc1 ZINC000218575885 241332741 /nfs/dbraw/zinc/33/27/41/241332741.db2.gz MSSKORCPQJSSRX-IKGGRYGDSA-N 1 0 335.856 3.163 40 0 EGABRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC000225791496 242038745 /nfs/dbraw/zinc/03/87/45/242038745.db2.gz RFKHGVNJQQAPMA-HNNXBMFYSA-N 1 0 335.492 3.285 40 0 EGABRO Fc1ccc(-n2nccc2C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000242302146 243014651 /nfs/dbraw/zinc/01/46/51/243014651.db2.gz YPWXKCNYUVCXJZ-CRAIPNDOSA-N 1 0 347.459 3.156 40 0 EGABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000020459485 212132561 /nfs/dbraw/zinc/13/25/61/212132561.db2.gz ZPFNVGWCEJISJR-LJQANCHMSA-N 1 0 348.487 3.235 40 0 EGABRO O=C(c1sc2ccccc2c1C[C@@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000257201439 244119699 /nfs/dbraw/zinc/11/96/99/244119699.db2.gz AHSHDICUPOWYNI-AWEZNQCLSA-N 1 0 344.480 3.058 40 0 EGABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)n1 ZINC000257232159 244216969 /nfs/dbraw/zinc/21/69/69/244216969.db2.gz GJRDSGRKWVKWQI-MRXNPFEDSA-N 1 0 348.454 3.258 40 0 EGABRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(C)n2)cc1CO ZINC000257266001 244360129 /nfs/dbraw/zinc/36/01/29/244360129.db2.gz MBEPKGADLJAXBU-SFHVURJKSA-N 1 0 327.428 3.013 40 0 EGABRO O=C(c1cscn1)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000257266903 244364246 /nfs/dbraw/zinc/36/42/46/244364246.db2.gz MFBTYNSGLQLQHI-SZMVWBNQSA-N 1 0 341.480 3.284 40 0 EGABRO CCCC[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](CC)CC1 ZINC000019502115 212034675 /nfs/dbraw/zinc/03/46/75/212034675.db2.gz NECWIFZBSCCTKT-QGZVFWFLSA-N 1 0 334.512 3.047 40 0 EGABRO CC(=O)N(C)C1CCC2(CC1)C[N@H+](C(C)C)Cc1ccccc1O2 ZINC000019448643 212028643 /nfs/dbraw/zinc/02/86/43/212028643.db2.gz MAKPCBVVUHFKBG-UHFFFAOYSA-N 1 0 330.472 3.449 40 0 EGABRO Clc1ccccc1CN1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019349350 212019216 /nfs/dbraw/zinc/01/92/16/212019216.db2.gz IZNMSKLGSZAWQH-CQSZACIVSA-N 1 0 342.874 3.155 40 0 EGABRO Cc1nn(CCO)c(C)c1C[NH2+][C@@H](C)Cc1ccc2ccccc2c1 ZINC000078394220 217046419 /nfs/dbraw/zinc/04/64/19/217046419.db2.gz RBLBXYQPFPJOEJ-HNNXBMFYSA-N 1 0 337.467 3.366 40 0 EGABRO CCC(C)(C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000079096437 217191496 /nfs/dbraw/zinc/19/14/96/217191496.db2.gz BOEQVNFNWBFIQE-INIZCTEOSA-N 1 0 332.488 3.439 40 0 EGABRO C[C@@H]([NH2+]C1(CNC(=O)OC(C)(C)C)CCOCC1)c1ccccc1 ZINC000079098027 217193063 /nfs/dbraw/zinc/19/30/63/217193063.db2.gz CKVCBBVSKDNMJL-OAHLLOKOSA-N 1 0 334.460 3.411 40 0 EGABRO Cc1ccc([C@@H](CNC(=O)NCc2cc(C(C)C)no2)[NH+](C)C)cc1 ZINC000079349510 217212155 /nfs/dbraw/zinc/21/21/55/217212155.db2.gz NFZAIXLGRUABMB-GOSISDBHSA-N 1 0 344.459 3.209 40 0 EGABRO O=C(c1ccc(C(F)(F)F)cc1)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257201642 296205688 /nfs/dbraw/zinc/20/56/88/296205688.db2.gz AIKTXNIAEYJNAI-DZGCQCFKSA-N 1 0 326.362 3.310 40 0 EGABRO COc1cccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3C)CC2)c1 ZINC000012292541 211335384 /nfs/dbraw/zinc/33/53/84/211335384.db2.gz FRYSQBUWQOCPKU-HXUWFJFHSA-N 1 0 341.451 3.021 40 0 EGABRO COc1cc2c(cc1C[NH+]1CCC3(CCCNC3=O)CC1)CCCC2 ZINC000012227966 211325557 /nfs/dbraw/zinc/32/55/57/211325557.db2.gz VKYKHAUNQLBKRX-UHFFFAOYSA-N 1 0 342.483 3.066 40 0 EGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2(c3ccccc3F)CC2)C1 ZINC000012204974 211320082 /nfs/dbraw/zinc/32/00/82/211320082.db2.gz QPJZLXZAPXADBO-IYBDPMFKSA-N 1 0 332.463 3.342 40 0 EGABRO Cc1cc2nc(C3CC[NH+](CC4CCCCC4)CC3)cc(N)n2n1 ZINC000012121486 211300354 /nfs/dbraw/zinc/30/03/54/211300354.db2.gz LGPZSNWCLGLTCY-UHFFFAOYSA-N 1 0 327.476 3.380 40 0 EGABRO CCC[NH+]1CCC(CNC(=O)c2[nH]nc(-c3ccccc3)c2C)CC1 ZINC000012116902 211296296 /nfs/dbraw/zinc/29/62/96/211296296.db2.gz CHLWDCOVPCJMIX-UHFFFAOYSA-N 1 0 340.471 3.237 40 0 EGABRO C[C@H](CC[NH2+][C@@H]1CCc2c1cccc2Br)[S@](C)=O ZINC000091398854 218000626 /nfs/dbraw/zinc/00/06/26/218000626.db2.gz LACQNTZIRDSNLO-MAZCYNQFSA-N 1 0 330.291 3.183 40 0 EGABRO O=C(c1c(F)cc(F)cc1F)C1CC[NH+](CC2=CCCOC2)CC1 ZINC000093440842 218226213 /nfs/dbraw/zinc/22/62/13/218226213.db2.gz IMXYMUZNBVQJAB-UHFFFAOYSA-N 1 0 339.357 3.345 40 0 EGABRO OCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1Cl ZINC000009644252 211111410 /nfs/dbraw/zinc/11/14/10/211111410.db2.gz CJOUAWLOTDJHSP-UHFFFAOYSA-N 1 0 327.815 3.275 40 0 EGABRO Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)OCO4)CC2)nc1 ZINC000095423129 218365455 /nfs/dbraw/zinc/36/54/55/218365455.db2.gz NYDQPQHHXATYNR-OAHLLOKOSA-N 1 0 339.439 3.438 40 0 EGABRO CCOC(=O)CCC[NH+](CCCC(=O)OCC)Cc1ccccc1 ZINC000004975021 210344805 /nfs/dbraw/zinc/34/48/05/210344805.db2.gz RKAUGXGEICSHMN-UHFFFAOYSA-N 1 0 335.444 3.175 40 0 EGABRO CC(=O)NC1CCC([NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2)CC1 ZINC000097379276 219020358 /nfs/dbraw/zinc/02/03/58/219020358.db2.gz GCIIAJGGWHGRGZ-CTWPCTMYSA-N 1 0 347.478 3.140 40 0 EGABRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000097379304 219020371 /nfs/dbraw/zinc/02/03/71/219020371.db2.gz ZBFNELZHAZQOQU-CBNMVNINSA-N 1 0 343.515 3.078 40 0 EGABRO C[C@@H](Oc1ccccc1F)C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019078935 287121886 /nfs/dbraw/zinc/12/18/86/287121886.db2.gz YTAJGOVMCLMKEX-SJORKVTESA-N 1 0 348.462 3.460 40 0 EGABRO COc1cc2cccnc2c(NC[C@@H](O)C[N@@H+]2CC[C@@H](C)C[C@H]2C)c1 ZINC000004522431 274103158 /nfs/dbraw/zinc/10/31/58/274103158.db2.gz ASZGOXIFKOHFFV-BFYDXBDKSA-N 1 0 343.471 3.137 40 0 EGABRO [NH3+][C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218592542 274960570 /nfs/dbraw/zinc/96/05/70/274960570.db2.gz LCTJGKALHGAFFD-KFWWJZLASA-N 1 0 342.247 3.260 40 0 EGABRO OCCO[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000096241575 275047608 /nfs/dbraw/zinc/04/76/08/275047608.db2.gz XYKBTGBEYVBJBD-FQEVSTJZSA-N 1 0 338.451 3.069 40 0 EGABRO CC(=O)Nc1ccc(CC[NH2+]Cc2cccc3c2OCCCO3)cc1 ZINC000078411715 275792171 /nfs/dbraw/zinc/79/21/71/275792171.db2.gz APUCKQBPBVZTPD-UHFFFAOYSA-N 1 0 340.423 3.139 40 0 EGABRO CC[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccco1)c1ccccc1O2 ZINC000096242701 276152371 /nfs/dbraw/zinc/15/23/71/276152371.db2.gz QDURDDWWWVWUDT-INIZCTEOSA-N 1 0 340.423 3.388 40 0 EGABRO CC(C)[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019445965 277767345 /nfs/dbraw/zinc/76/73/45/277767345.db2.gz HTTKVNSQFOKVQJ-SFHVURJKSA-N 1 0 346.523 3.046 40 0 EGABRO Clc1ccc(C2(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)CC2)cc1 ZINC000019332776 279291792 /nfs/dbraw/zinc/29/17/92/279291792.db2.gz PFUVHAKIZNGKJY-QGZVFWFLSA-N 1 0 348.918 3.416 40 0 EGABRO C[C@H]1Cc2cc(C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)ccc2O1 ZINC000019497948 280021982 /nfs/dbraw/zinc/02/19/82/280021982.db2.gz DXBQMFKXZZKHGX-LPHOPBHVSA-N 1 0 342.483 3.491 40 0 EGABRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc2cc(C)ccc2s1 ZINC000528497218 313104637 /nfs/dbraw/zinc/10/46/37/313104637.db2.gz ODKYZHUYZKCRKZ-CQSZACIVSA-N 1 0 331.485 3.485 40 0 EGABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549452296 315092623 /nfs/dbraw/zinc/09/26/23/315092623.db2.gz QGWARWGSYNNIMF-HNNXBMFYSA-N 1 0 339.361 3.442 40 0 EGABRO C[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@H]1CCCOC1 ZINC000097099690 323214727 /nfs/dbraw/zinc/21/47/27/323214727.db2.gz BKBOJRUOBCLKKY-LLVKDONJSA-N 1 0 338.249 3.184 40 0 EGABRO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000180847547 455255831 /nfs/dbraw/zinc/25/58/31/455255831.db2.gz ZVKMZVYRPYPLMF-FZKQIMNGSA-N 1 0 348.878 3.096 40 0 EGABRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccoc1C1CC1 ZINC000241170994 455266831 /nfs/dbraw/zinc/26/68/31/455266831.db2.gz KDJZVIGYJRSXAQ-KDOFPFPSSA-N 1 0 339.439 3.192 40 0 EGABRO CCc1ccc([C@@H]2[C@@H](C[NH3+])[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000242548707 455271547 /nfs/dbraw/zinc/27/15/47/455271547.db2.gz LUHRGBTUYABIJO-KZNAEPCWSA-N 1 0 349.883 3.417 40 0 EGABRO CCn1c[n+](C[C@@H](O)COc2ccc(Cl)cc2)c2ccccc21 ZINC000000316244 452562104 /nfs/dbraw/zinc/56/21/04/452562104.db2.gz HTSVXNIAQWVWPC-OAHLLOKOSA-N 1 0 331.823 3.042 40 0 EGABRO CCn1c(C)[n+](C[C@H](O)COc2c(C)cccc2C)c2ccccc21 ZINC000000316228 452562841 /nfs/dbraw/zinc/56/28/41/452562841.db2.gz QBIQVXGRYLNXLT-SFHVURJKSA-N 1 0 339.459 3.314 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1cccc(C)c1 ZINC000006382288 452938446 /nfs/dbraw/zinc/93/84/46/452938446.db2.gz GUBYXLPUICAYLX-NRFANRHFSA-N 1 0 341.451 3.116 40 0 EGABRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1scnc1-c1ccccc1 ZINC000006443039 452945270 /nfs/dbraw/zinc/94/52/70/452945270.db2.gz UBUZGZJAMIFYKM-CQSZACIVSA-N 1 0 329.469 3.414 40 0 EGABRO CCOc1cc(CNCCC[NH2+]C)ccc1OCc1ccccc1 ZINC000008254625 453182235 /nfs/dbraw/zinc/18/22/35/453182235.db2.gz JONYHKZQQXWILN-UHFFFAOYSA-N 1 0 328.456 3.363 40 0 EGABRO CC(C)C(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CCC[C@@H](C)C3)ccc21 ZINC000012291372 453354390 /nfs/dbraw/zinc/35/43/90/453354390.db2.gz OPSKSEGKNBSNDR-OXQOHEQNSA-N 1 0 344.499 3.387 40 0 EGABRO Cc1cc2nc([C@H]3CCC[N@H+](C[C@H]4CC=CCC4)C3)cc(N)n2n1 ZINC000012667661 453390707 /nfs/dbraw/zinc/39/07/07/453390707.db2.gz ROFPWHZCLSZMHV-HOTGVXAUSA-N 1 0 325.460 3.156 40 0 EGABRO Cc1cc(NC(=O)CC[N@@H+](Cc2cccs2)C[C@H]2CCCO2)no1 ZINC000012979622 453432358 /nfs/dbraw/zinc/43/23/58/453432358.db2.gz FCIWUADNCNEPHS-CQSZACIVSA-N 1 0 349.456 3.054 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC(O)(c2ccccc2C)CC1 ZINC000013996265 453496146 /nfs/dbraw/zinc/49/61/46/453496146.db2.gz PXKFGCBOVWLNJR-GOSISDBHSA-N 1 0 344.499 3.070 40 0 EGABRO COc1ccc(CC[NH2+]Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000013998853 453497481 /nfs/dbraw/zinc/49/74/81/453497481.db2.gz YPOYJLIHBODWBY-UHFFFAOYSA-N 1 0 336.435 3.486 40 0 EGABRO COc1cccc(CC[NH2+]Cc2cc3ccc(C)c(C)c3[nH]c2=O)c1 ZINC000013998805 453497931 /nfs/dbraw/zinc/49/79/31/453497931.db2.gz NYKDKIGNOPNZON-UHFFFAOYSA-N 1 0 336.435 3.486 40 0 EGABRO Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000015335980 453568753 /nfs/dbraw/zinc/56/87/53/453568753.db2.gz YCUBGWCHHXQGGP-UHFFFAOYSA-N 1 0 344.480 3.069 40 0 EGABRO CCC[C@@H](C(=O)N[C@@H](C)C[NH+]1CCCCCC1)n1nc(C)cc1C ZINC000019501810 453656751 /nfs/dbraw/zinc/65/67/51/453656751.db2.gz TXJCKAAVZNNFFL-WMZOPIPTSA-N 1 0 334.508 3.222 40 0 EGABRO COCc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000032728898 453885656 /nfs/dbraw/zinc/88/56/56/453885656.db2.gz FVMMHODQXRCZMC-GOSISDBHSA-N 1 0 330.403 3.005 40 0 EGABRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000032761914 453889186 /nfs/dbraw/zinc/88/91/86/453889186.db2.gz BNCXYRXEONLWIS-RDJZCZTQSA-N 1 0 342.464 3.005 40 0 EGABRO O=C(NCc1ccncc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039753143 453945668 /nfs/dbraw/zinc/94/56/68/453945668.db2.gz SQUQXYQZCNNMRL-UHFFFAOYSA-N 1 0 343.858 3.263 40 0 EGABRO COc1ccc([C@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)cc1F ZINC000089627160 454169561 /nfs/dbraw/zinc/16/95/61/454169561.db2.gz IFPOBELISFRCQA-ZDUSSCGKSA-N 1 0 338.423 3.494 40 0 EGABRO c1csc(C[N@@H+]2CC[C@H]3C[C@H](c4nnc(C5CC5)o4)O[C@@H]3C2)c1 ZINC000096046060 454268257 /nfs/dbraw/zinc/26/82/57/454268257.db2.gz FRPKXILBSNPQAN-NWANDNLSSA-N 1 0 331.441 3.361 40 0 EGABRO Cc1ccsc1C[N@@H+]1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096042218 454268369 /nfs/dbraw/zinc/26/83/69/454268369.db2.gz BFQTXXXLFVYHSZ-JENIJYKNSA-N 1 0 344.480 3.400 40 0 EGABRO O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](Cc1nccs1)C2 ZINC000096048738 454270802 /nfs/dbraw/zinc/27/08/02/454270802.db2.gz TXICVYKMQDJBOH-INIZCTEOSA-N 1 0 333.482 3.224 40 0 EGABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21 ZINC000096052566 454272784 /nfs/dbraw/zinc/27/27/84/454272784.db2.gz HRZSJHXGBBPRFZ-KRWDZBQOSA-N 1 0 338.451 3.437 40 0 EGABRO Fc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096055153 454274329 /nfs/dbraw/zinc/27/43/29/454274329.db2.gz SKEOIBJYTBPYOI-ICSRJNTNSA-N 1 0 344.405 3.302 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)co1 ZINC000096057065 454274700 /nfs/dbraw/zinc/27/47/00/454274700.db2.gz DLQBAGIQYTWPDK-HKUYNNGSSA-N 1 0 328.412 3.125 40 0 EGABRO COc1ccc2c(c1)C1(CCN(Cc3ccncc3)CC1)[N@@H+](C)CC2 ZINC000096100218 454282451 /nfs/dbraw/zinc/28/24/51/454282451.db2.gz ALWVFFPUZCWKRD-UHFFFAOYSA-N 1 0 337.467 3.069 40 0 EGABRO Fc1cccc(C[N@@H+]2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC000096187134 454299179 /nfs/dbraw/zinc/29/91/79/454299179.db2.gz BKNRSQNUKNJISF-AABGKKOBSA-N 1 0 342.414 3.169 40 0 EGABRO CCOC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)[N@@H+]1CC1CC1 ZINC000096206702 454304039 /nfs/dbraw/zinc/30/40/39/454304039.db2.gz JPQYRLOHKNPTIF-HXUWFJFHSA-N 1 0 343.515 3.327 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCN(c3ncccc3C)C2)C1 ZINC000096216062 454305293 /nfs/dbraw/zinc/30/52/93/454305293.db2.gz LMDXCONDNIHKSP-HXUWFJFHSA-N 1 0 340.471 3.487 40 0 EGABRO c1ncn2c1C[N@H+](CCc1ccccc1)C[C@@H](COc1cccnc1)C2 ZINC000096209344 454305561 /nfs/dbraw/zinc/30/55/61/454305561.db2.gz ZJMGXAZFTVAGDT-LJQANCHMSA-N 1 0 348.450 3.032 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCN(c3ncccc3C)C2)C1 ZINC000096216060 454305588 /nfs/dbraw/zinc/30/55/88/454305588.db2.gz LMDXCONDNIHKSP-FQEVSTJZSA-N 1 0 340.471 3.487 40 0 EGABRO CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)o1 ZINC000096216840 454306620 /nfs/dbraw/zinc/30/66/20/454306620.db2.gz NWHMYTIXRGRALT-LJQANCHMSA-N 1 0 326.444 3.125 40 0 EGABRO Fc1cccnc1N[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccco1)C2 ZINC000096222992 454309328 /nfs/dbraw/zinc/30/93/28/454309328.db2.gz OZDGSDVDQYQUEW-KBXCAEBGSA-N 1 0 331.391 3.049 40 0 EGABRO CC(C)[N@H+](C)CCCCNC(=O)/C=C/c1ccnc2ccccc12 ZINC000096410158 454327934 /nfs/dbraw/zinc/32/79/34/454327934.db2.gz CPNMWEYSRARNBE-ZHACJKMWSA-N 1 0 325.456 3.485 40 0 EGABRO O=C(C1CC[NH+](Cc2ccno2)CC1)N(Cc1ccccc1)C1CC1 ZINC000096421192 454336450 /nfs/dbraw/zinc/33/64/50/454336450.db2.gz HAXOFJKLDKNCKU-UHFFFAOYSA-N 1 0 339.439 3.078 40 0 EGABRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)cn1 ZINC000090919067 454351685 /nfs/dbraw/zinc/35/16/85/454351685.db2.gz HZOMAHKZUGFRKN-LPHOPBHVSA-N 1 0 340.471 3.306 40 0 EGABRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](c2ccccc2C)C2CC2)C1 ZINC000096453066 454356631 /nfs/dbraw/zinc/35/66/31/454356631.db2.gz DKPQSDKITIUUOI-VQIMIIECSA-N 1 0 329.488 3.429 40 0 EGABRO C[C@H](Sc1ccccn1)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000096461105 454359605 /nfs/dbraw/zinc/35/96/05/454359605.db2.gz YINHQZOOPVGNOS-JKSUJKDBSA-N 1 0 333.501 3.039 40 0 EGABRO O=C(C[N@@H+]1C[C@H]2CCCC[C@@]21c1ccccc1)NCc1cccnc1 ZINC000096481042 454363818 /nfs/dbraw/zinc/36/38/18/454363818.db2.gz UDWPDENOQWXMBO-TZIWHRDSSA-N 1 0 335.451 3.099 40 0 EGABRO C[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000096490701 454368892 /nfs/dbraw/zinc/36/88/92/454368892.db2.gz YUQRZXPMEZONKB-LLVKDONJSA-N 1 0 338.238 3.355 40 0 EGABRO COc1ccc([C@H](C)[NH2+]C2CCC(O)CC2)c(Br)c1 ZINC000096493330 454369653 /nfs/dbraw/zinc/36/96/53/454369653.db2.gz BXVYCIZDXIMEEE-UNXYVOJBSA-N 1 0 328.250 3.412 40 0 EGABRO COc1ccccc1NC1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000096493109 454369722 /nfs/dbraw/zinc/36/97/22/454369722.db2.gz VEZRRULFPBLUBW-FPOVZHCZSA-N 1 0 338.451 3.230 40 0 EGABRO CC(C)Oc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000097101588 454407764 /nfs/dbraw/zinc/40/77/64/454407764.db2.gz IWABPKHJVMIWBF-CVEARBPZSA-N 1 0 333.476 3.128 40 0 EGABRO C[C@@H](O)c1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1[S@]2=O ZINC000065742890 454617714 /nfs/dbraw/zinc/61/77/14/454617714.db2.gz PMRKLUFRQDNKCL-SHACYNPGSA-N 1 0 344.480 3.310 40 0 in-vitro EGABRO Cn1ccnc1[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)C1CC1 ZINC000127672681 454986776 /nfs/dbraw/zinc/98/67/76/454986776.db2.gz HODWCJCACDMFBW-WMLDXEAASA-N 1 0 332.398 3.018 40 0 EGABRO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]C2CCC3(CC2)OCCO3)cc1F ZINC000157046143 455162550 /nfs/dbraw/zinc/16/25/50/455162550.db2.gz LZFPSZZKYDIPBF-IRXDYDNUSA-N 1 0 339.382 3.070 40 0 EGABRO COc1cccc([C@H]2[C@@H](NC(=O)c3cc[nH]c3C)CC[N@@H+]2C2CC2)c1 ZINC000245526337 455321376 /nfs/dbraw/zinc/32/13/76/455321376.db2.gz ANAFSCMZWPJOLC-OALUTQOASA-N 1 0 339.439 3.040 40 0 EGABRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000175336883 455439304 /nfs/dbraw/zinc/43/93/04/455439304.db2.gz DRVSYJOUTSNECA-BLLLJJGKSA-N 1 0 340.389 3.442 40 0 EGABRO CC[C@@H]([NH2+]C1CCN(c2ccccc2OC)CC1)c1nccn1C ZINC000182691620 455570018 /nfs/dbraw/zinc/57/00/18/455570018.db2.gz OLTIYYNVJOVGLR-MRXNPFEDSA-N 1 0 328.460 3.138 40 0 EGABRO O=C(NCC[C@@H]1C[N@@H+](C2CCCC2)Cc2ccnn21)c1ccsc1 ZINC000247522557 455617671 /nfs/dbraw/zinc/61/76/71/455617671.db2.gz YBDIUDJQBLAKDM-MRXNPFEDSA-N 1 0 344.484 3.064 40 0 EGABRO c1cc2n(n1)[C@@H](CCOCC1CCOCC1)C[N@H+](CC1CCCC1)C2 ZINC000248338484 455704726 /nfs/dbraw/zinc/70/47/26/455704726.db2.gz RMFYREOXRGDIDQ-FQEVSTJZSA-N 1 0 347.503 3.263 40 0 EGABRO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)C2)cn1 ZINC000249288952 455747648 /nfs/dbraw/zinc/74/76/48/455747648.db2.gz QHHUIRCEHHVTAV-RDBSUJKOSA-N 1 0 330.398 3.100 40 0 EGABRO O=C(CCc1ccsc1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186577776 455797517 /nfs/dbraw/zinc/79/75/17/455797517.db2.gz OTHMOBCTYMZCNL-GOSISDBHSA-N 1 0 343.496 3.247 40 0 EGABRO CO[C@@H](C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 ZINC000252491258 455812105 /nfs/dbraw/zinc/81/21/05/455812105.db2.gz LJVKCLCTHLTMOT-LPHOPBHVSA-N 1 0 332.488 3.247 40 0 EGABRO C[C@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000253418523 455842715 /nfs/dbraw/zinc/84/27/15/455842715.db2.gz SISXWYHCAQGLEF-IJXRJRJASA-N 1 0 344.499 3.097 40 0 EGABRO Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccnc(C[NH+](C)C)c2)s1 ZINC000257312957 455888966 /nfs/dbraw/zinc/88/89/66/455888966.db2.gz UQKJKYVVNKSVMN-MRXNPFEDSA-N 1 0 344.484 3.194 40 0 EGABRO FC(F)(F)c1cccc(OCCc2cc([C@H]3CCC[NH2+]3)[nH]n2)c1 ZINC000257318994 455890651 /nfs/dbraw/zinc/89/06/51/455890651.db2.gz VQGDBGXNVWULKZ-CQSZACIVSA-N 1 0 325.334 3.475 40 0 EGABRO O=C(C1CCCC1)N(c1ccc(F)cc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257326246 455892360 /nfs/dbraw/zinc/89/23/60/455892360.db2.gz WWLUEWXYOKHDIM-GOSISDBHSA-N 1 0 346.446 3.260 40 0 EGABRO CC1(C)[C@H]2C[C@@H]1C(COC[C@@H](O)C[N@@H+]1CCc3ccccc3C1)=CC2 ZINC000195541514 455982639 /nfs/dbraw/zinc/98/26/39/455982639.db2.gz DCHBVYQEDRWVSH-QHAWAJNXSA-N 1 0 341.495 3.415 40 0 EGABRO CC(C)n1cccc1C(=O)N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000195547239 455982766 /nfs/dbraw/zinc/98/27/66/455982766.db2.gz OHBBVLPNHGRZLH-UHFFFAOYSA-N 1 0 340.471 3.201 40 0 EGABRO CSc1nnc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000223107326 456053670 /nfs/dbraw/zinc/05/36/70/456053670.db2.gz DZGJQYBMKFELTM-UHFFFAOYSA-N 1 0 348.497 3.498 40 0 EGABRO C[N@H+](CCCCCF)CC(=O)Nc1ccccc1Br ZINC000225465712 456085630 /nfs/dbraw/zinc/08/56/30/456085630.db2.gz GEOROCWVLWOCJS-UHFFFAOYSA-N 1 0 331.229 3.459 40 0 EGABRO CC(C)c1ccc(OCCOC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000226170690 456106676 /nfs/dbraw/zinc/10/66/76/456106676.db2.gz BOHSPJRSQSIMAL-IEBWSBKVSA-N 1 0 335.488 3.298 40 0 EGABRO COCCn1ccnc1[C@@H]1C[N@H+](Cc2ccccn2)Cc2ccccc21 ZINC000306144569 456569449 /nfs/dbraw/zinc/56/94/49/456569449.db2.gz ZIYOMRAFFJBAEC-HXUWFJFHSA-N 1 0 348.450 3.072 40 0 EGABRO c1cc(-c2ccc3nc([C@@H]4CCC[N@@H+](CC5CC5)C4)nn3c2)ccn1 ZINC000306144112 456570141 /nfs/dbraw/zinc/57/01/41/456570141.db2.gz YWISOWQPYCDBDJ-GOSISDBHSA-N 1 0 333.439 3.381 40 0 EGABRO O=C1NCCCN(C/C=C/c2ccc(F)cc2)[C@H]1Cc1ccccc1 ZINC000556933300 459034351 /nfs/dbraw/zinc/03/43/51/459034351.db2.gz ASWBZFCYPXZGHM-BFSLETRISA-N 1 0 338.426 3.272 40 0 EGABRO O=C1N(Cc2cncs2)C[C@]12CCC[N@H+](CC1CCCCC1)C2 ZINC000585099427 459822646 /nfs/dbraw/zinc/82/26/46/459822646.db2.gz IXCWJFIYBDIQLD-GOSISDBHSA-N 1 0 333.501 3.148 40 0 EGABRO Cc1nc(CN2C(=O)CC[C@]23CCC[N@@H+](CC(C)C)CC3)cs1 ZINC000585100027 459823244 /nfs/dbraw/zinc/82/32/44/459823244.db2.gz CPUKEBNPVZKHPC-SFHVURJKSA-N 1 0 335.517 3.455 40 0 EGABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc3ccccc3n2)cc1 ZINC000585182282 459831258 /nfs/dbraw/zinc/83/12/58/459831258.db2.gz QBXDPRONCDOLIL-HXUWFJFHSA-N 1 0 347.418 3.030 40 0 EGABRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)c1 ZINC000585288841 459833239 /nfs/dbraw/zinc/83/32/39/459833239.db2.gz KCLAHKJWGBTWCE-CEWLAPEOSA-N 1 0 341.451 3.454 40 0 EGABRO CCc1ccc([C@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000218603269 536194867 /nfs/dbraw/zinc/19/48/67/536194867.db2.gz VTEDGAUWJJZECN-FHWLQOOXSA-N 1 0 329.465 3.072 40 0 EGABRO CCOc1cccc([C@@H]2C[C@H]2NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000684811098 550371862 /nfs/dbraw/zinc/37/18/62/550371862.db2.gz QZTGZPVDPYZMJQ-NZSAHSFTSA-N 1 0 345.487 3.113 40 0 EGABRO COc1cccc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c1C ZINC000929658368 1328659298 /nfs/dbraw/zinc/65/92/98/1328659298.db2.gz UYDHHQHWMHRYRP-UHFFFAOYSA-N 1 0 338.451 3.023 40 0 EGABRO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000090699815 282128853 /nfs/dbraw/zinc/12/88/53/282128853.db2.gz HJRXQJMMYHHZDK-QGZVFWFLSA-N 1 0 334.529 3.493 40 0 EGABRO CNC(=O)CCC[N@H+](C)Cc1cc(Br)c(Cl)s1 ZINC000191412221 529852213 /nfs/dbraw/zinc/85/22/13/529852213.db2.gz UBBATJHNWGXMPK-UHFFFAOYSA-N 1 0 339.686 3.122 40 0 EGABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000004279504 210160084 /nfs/dbraw/zinc/16/00/84/210160084.db2.gz CPFQUQPPMDHFQO-YDHLFZDLSA-N 1 0 342.277 3.167 40 0 EGABRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC000040150522 213272812 /nfs/dbraw/zinc/27/28/12/213272812.db2.gz DMQSIPHQLUBOMH-UHFFFAOYSA-N 1 0 345.418 3.430 40 0 EGABRO CC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000036392240 213095837 /nfs/dbraw/zinc/09/58/37/213095837.db2.gz ZHIFIHIACTXESU-NLWGTHIKSA-N 1 0 331.456 3.284 40 0 EGABRO [NH3+][C@@H]1C[C@]2(CCC(=O)N(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000072327736 216152905 /nfs/dbraw/zinc/15/29/05/216152905.db2.gz CMEIMTLPZKIBHJ-WIYYLYMNSA-N 1 0 336.435 3.420 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cc1 ZINC000072355483 216165047 /nfs/dbraw/zinc/16/50/47/216165047.db2.gz LBYPOKLLRUJHCZ-KRWDZBQOSA-N 1 0 349.438 3.051 40 0 EGABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4cccs4)C3)cc(N)n2n1 ZINC000072339771 216157030 /nfs/dbraw/zinc/15/70/30/216157030.db2.gz LHHSZKHYHTWOEA-CYBMUJFWSA-N 1 0 327.457 3.061 40 0 EGABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[NH2+]C1 ZINC000072391911 216190537 /nfs/dbraw/zinc/19/05/37/216190537.db2.gz PTCVLZMXHJXFRC-OAQYLSRUSA-N 1 0 338.451 3.021 40 0 EGABRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC000072605830 216280615 /nfs/dbraw/zinc/28/06/15/216280615.db2.gz DOGAMQSUGDQFJK-KGLIPLIRSA-N 1 0 344.546 3.382 40 0 EGABRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cncnc2)cc1)C(=O)NC(C)(C)C ZINC000073411633 216383600 /nfs/dbraw/zinc/38/36/00/216383600.db2.gz QSXVXFSKBQSHQW-UONOGXRCSA-N 1 0 326.444 3.097 40 0 EGABRO C[NH+](C)CCN(Cc1cccnc1)Cc1cc2c(cc1Cl)OCO2 ZINC000022931570 212335951 /nfs/dbraw/zinc/33/59/51/212335951.db2.gz FPTRMZIKXIOTKM-UHFFFAOYSA-N 1 0 347.846 3.028 40 0 EGABRO Cc1cc(C)c(-n2cccn2)c(CN(C)CC[NH+]2CCCCC2)c1 ZINC000022916159 212335114 /nfs/dbraw/zinc/33/51/14/212335114.db2.gz GRRYATNMZFWBAM-UHFFFAOYSA-N 1 0 326.488 3.407 40 0 EGABRO Cc1cccc(OCC(=O)NCC2CC[NH+](C3CCCC3)CC2)c1 ZINC000023014585 212342418 /nfs/dbraw/zinc/34/24/18/212342418.db2.gz UHVSFZBTSFQOJB-UHFFFAOYSA-N 1 0 330.472 3.145 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2O)CC1 ZINC000195558497 241008125 /nfs/dbraw/zinc/00/81/25/241008125.db2.gz LKFCMGORSJYEOS-MRXNPFEDSA-N 1 0 334.460 3.314 40 0 EGABRO C[NH+](C)C1(CN[C@@H](c2ccccc2)c2ccc(F)cn2)CCOCC1 ZINC000195560655 241009784 /nfs/dbraw/zinc/00/97/84/241009784.db2.gz MNERHGJXGBLMGJ-IBGZPJMESA-N 1 0 343.446 3.011 40 0 EGABRO COc1cccc(C2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)c1F ZINC000225549874 241925278 /nfs/dbraw/zinc/92/52/78/241925278.db2.gz NFXFHHQYXIXLHT-GFCCVEGCSA-N 1 0 335.341 3.327 40 0 EGABRO Cc1ccccc1NC(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225576442 241933304 /nfs/dbraw/zinc/93/33/04/241933304.db2.gz JDICOJFPDZZHPP-INIZCTEOSA-N 1 0 333.501 3.334 40 0 EGABRO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)CC1CCCCC1 ZINC000021580952 212233219 /nfs/dbraw/zinc/23/32/19/212233219.db2.gz RWRAQMMRGZSVLI-UHFFFAOYSA-N 1 0 332.444 3.299 40 0 EGABRO O[C@H](C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)c1ccccc1 ZINC000242196994 243012696 /nfs/dbraw/zinc/01/26/96/243012696.db2.gz XGSSOBXZAQRMTC-HUUCEWRRSA-N 1 0 339.361 3.272 40 0 EGABRO OCc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000241634618 242996761 /nfs/dbraw/zinc/99/67/61/242996761.db2.gz PNVBZAOQMGVEQD-VQTJNVASSA-N 1 0 329.415 3.406 40 0 EGABRO c1cc(COCC[C@H]2CCOC23CC[NH+](CC2CC2)CC3)ccn1 ZINC000253590426 244028465 /nfs/dbraw/zinc/02/84/65/244028465.db2.gz BAQMJEDCAFWORV-IBGZPJMESA-N 1 0 330.472 3.269 40 0 EGABRO O=C(CCc1cccs1)N1C[C@H](c2ccccc2)[C@H]2C[NH2+]CC[C@H]21 ZINC000257224510 244195164 /nfs/dbraw/zinc/19/51/64/244195164.db2.gz FCCSHVARWQWOOH-GUDVDZBRSA-N 1 0 340.492 3.285 40 0 EGABRO COCC[N@@H+]1CCC[C@@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000257247843 244260058 /nfs/dbraw/zinc/26/00/58/244260058.db2.gz JAUUQIVLCQNDFI-OAHLLOKOSA-N 1 0 332.835 3.163 40 0 EGABRO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)Cc3cccs3)C2)[nH+]1 ZINC000257254117 244275924 /nfs/dbraw/zinc/27/59/24/244275924.db2.gz KBRRUBYOFNQKAT-CQSZACIVSA-N 1 0 329.469 3.076 40 0 EGABRO CCc1ccccc1O[C@@H](C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000020043349 212097307 /nfs/dbraw/zinc/09/73/07/212097307.db2.gz LAAVKZNOMRUVQM-KRWDZBQOSA-N 1 0 332.488 3.255 40 0 EGABRO CCCn1nccc1-c1cncc(C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257269014 244370407 /nfs/dbraw/zinc/37/04/07/244370407.db2.gz MOFAYVPITRNAMC-MRXNPFEDSA-N 1 0 327.476 3.413 40 0 EGABRO CCOc1ccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019842293 212075691 /nfs/dbraw/zinc/07/56/91/212075691.db2.gz VAEVETGCFLHVTR-AABGKKOBSA-N 1 0 326.484 3.415 40 0 EGABRO O=Cc1ccccc1OCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019798125 212070086 /nfs/dbraw/zinc/07/00/86/212070086.db2.gz JGZLWERBHXZUHU-UHFFFAOYSA-N 1 0 338.451 3.086 40 0 EGABRO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000019732478 212058514 /nfs/dbraw/zinc/05/85/14/212058514.db2.gz HDLUJNPSWQCBCL-OLZOCXBDSA-N 1 0 332.806 3.260 40 0 EGABRO CCCn1nc(C)c(-c2cncn2[C@H](CC)C[NH+]2CCOCC2)c1C ZINC000019654596 212053234 /nfs/dbraw/zinc/05/32/34/212053234.db2.gz MQYUSWXQXLLAST-QGZVFWFLSA-N 1 0 345.491 3.057 40 0 EGABRO Cc1nc(C2CC[NH2+]CC2)ncc1-c1n[nH]cc1-c1ccc(F)cc1 ZINC000019552644 212040913 /nfs/dbraw/zinc/04/09/13/212040913.db2.gz XCDDBLIHIPUXGQ-UHFFFAOYSA-N 1 0 337.402 3.448 40 0 EGABRO CCOC1CC[NH+](Cc2c3ncccc3[nH]c2C2CCOCC2)CC1 ZINC000019530987 212039986 /nfs/dbraw/zinc/03/99/86/212039986.db2.gz VZXUMYODAOFIGJ-UHFFFAOYSA-N 1 0 343.471 3.458 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000019500948 212033919 /nfs/dbraw/zinc/03/39/19/212033919.db2.gz GWIKTCAIDIIMEL-MAUKXSAKSA-N 1 0 340.471 3.491 40 0 EGABRO CCC[C@H](C(=O)N[C@@H](C)C[NH+]1CCCCCC1)n1nc(C)cc1C ZINC000019501811 212034104 /nfs/dbraw/zinc/03/41/04/212034104.db2.gz TXJCKAAVZNNFFL-FUHWJXTLSA-N 1 0 334.508 3.222 40 0 EGABRO CCC[C@H](C(=O)N[C@H](C)C[NH+]1CCCCCC1)n1nc(C)cc1C ZINC000019501813 212033864 /nfs/dbraw/zinc/03/38/64/212033864.db2.gz TXJCKAAVZNNFFL-SJLPKXTDSA-N 1 0 334.508 3.222 40 0 EGABRO CCC[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)n1nc(C)cc1C ZINC000019501823 212033267 /nfs/dbraw/zinc/03/32/67/212033267.db2.gz FBLRHEWWDRBUNR-GOSISDBHSA-N 1 0 334.508 3.222 40 0 EGABRO C[C@@H]([NH2+]C/C=C/c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000078979866 217163928 /nfs/dbraw/zinc/16/39/28/217163928.db2.gz UCHZHHLJMMPEND-JOZWUWCOSA-N 1 0 330.453 3.422 40 0 EGABRO COc1ccccc1/C=C/C[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000078979804 217163976 /nfs/dbraw/zinc/16/39/76/217163976.db2.gz ZVIZHZVDORSHBS-HZRUHFOJSA-N 1 0 338.407 3.390 40 0 EGABRO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000079438483 217224916 /nfs/dbraw/zinc/22/49/16/217224916.db2.gz PMRWGBFRGXOQDE-STQMWFEESA-N 1 0 325.478 3.441 40 0 EGABRO O=C(c1ccccc1F)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000264048730 246014675 /nfs/dbraw/zinc/01/46/75/246014675.db2.gz DOSBOHFBAJTUAN-UHFFFAOYSA-N 1 0 338.426 3.489 40 0 EGABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1ccc(OC)c2ccccc12 ZINC000012362890 211355241 /nfs/dbraw/zinc/35/52/41/211355241.db2.gz WQNMBQXHPRKNNT-QGZVFWFLSA-N 1 0 340.467 3.382 40 0 EGABRO 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DPHRONVODMKWNV-UHFFFAOYSA-N 1 0 344.499 3.327 40 0 EGABRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)s1 ZINC000225562320 456093542 /nfs/dbraw/zinc/09/35/42/456093542.db2.gz XVAHEQGGMBOUDG-UHFFFAOYSA-N 1 0 342.892 3.022 40 0 EGABRO CC1CCN(c2ccc(CNC(=O)c3cc(Cl)c[nH]3)cn2)CC1 ZINC000298601823 456499366 /nfs/dbraw/zinc/49/93/66/456499366.db2.gz BKUGAEHDZIQLHB-UHFFFAOYSA-N 1 0 332.835 3.229 40 0 EGABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cccc3cccnc32)cc1 ZINC000299850469 456782050 /nfs/dbraw/zinc/78/20/50/456782050.db2.gz ICKYXYVQLFSOJX-LJQANCHMSA-N 1 0 347.418 3.030 40 0 EGABRO COCC[N@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCCc2cccnc21 ZINC000364327054 457561730 /nfs/dbraw/zinc/56/17/30/457561730.db2.gz XHVCQZAIXFFTIY-LJQANCHMSA-N 1 0 336.439 3.484 40 0 EGABRO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099668 459823196 /nfs/dbraw/zinc/82/31/96/459823196.db2.gz WATWQQIJTNYWIC-HNAYVOBHSA-N 1 0 341.480 3.329 40 0 EGABRO CC(C)CC[N@@H+]1C[C@H]2CN(c3cc(C(F)(F)F)ncn3)CC[C@H]21 ZINC000585108051 459825525 /nfs/dbraw/zinc/82/55/25/459825525.db2.gz XULICNQAFYJWBC-QWHCGFSZSA-N 1 0 328.382 3.052 40 0 EGABRO CN(C)c1ncc(C[NH2+]CCc2c[nH]c3cc(F)c(Cl)cc23)cn1 ZINC000585123266 459827308 /nfs/dbraw/zinc/82/73/08/459827308.db2.gz ROALANVNHNJWAS-UHFFFAOYSA-N 1 0 347.825 3.149 40 0 EGABRO C[NH+](C)CCc1ccc(NC(=O)c2ocnc2C(F)(F)F)cc1 ZINC000585141066 459830121 /nfs/dbraw/zinc/83/01/21/459830121.db2.gz PADMDXVJLRDACK-UHFFFAOYSA-N 1 0 327.306 3.050 40 0 EGABRO Cc1cc(-c2cnc3ccc(Cl)cn32)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000585263111 459832317 /nfs/dbraw/zinc/83/23/17/459832317.db2.gz LNTTYVJPSUOKOK-GFCCVEGCSA-N 1 0 327.819 3.220 40 0 EGABRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2cccc3ccsc32)C1 ZINC000624293406 460947537 /nfs/dbraw/zinc/94/75/37/460947537.db2.gz HYQKTPIWKACRIX-AWEZNQCLSA-N 1 0 331.485 3.432 40 0 EGABRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CC2(C)CCOCC2)C1 ZINC000131362168 526491308 /nfs/dbraw/zinc/49/13/08/526491308.db2.gz AUTXKEZBAZITOS-GJZGRUSLSA-N 1 0 326.481 3.229 40 0 EGABRO Cc1occc1CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245638726 526820381 /nfs/dbraw/zinc/82/03/81/526820381.db2.gz KASYQRUZOWDAJO-ROUUACIJSA-N 1 0 327.428 3.175 40 0 EGABRO CC(C)[C@@H]1COC(=O)N1c1cncc(C2CC[NH+](C(C)C)CC2)n1 ZINC000257232333 535264222 /nfs/dbraw/zinc/26/42/22/535264222.db2.gz GKLGOKLMXUGXNJ-INIZCTEOSA-N 1 0 332.448 3.046 40 0 EGABRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cn1 ZINC000225942575 535907769 /nfs/dbraw/zinc/90/77/69/535907769.db2.gz MHVNFIVBKNDAOJ-UHFFFAOYSA-N 1 0 341.455 3.229 40 0 EGABRO CNc1cnc(C[C@@H]2CCC[N@H+](Cc3csc(C)n3)CC2)cn1 ZINC000257252844 536421613 /nfs/dbraw/zinc/42/16/13/536421613.db2.gz JWHLWEJJEMJZMR-CQSZACIVSA-N 1 0 331.489 3.128 40 0 EGABRO Cc1ccc2c(n1)-n1cncc1C1(CC[NH+](Cc3ccccc3)CC1)N2 ZINC000306123027 547459573 /nfs/dbraw/zinc/45/95/73/547459573.db2.gz ACRJRTXILBJXKQ-UHFFFAOYSA-N 1 0 345.450 3.493 40 0 EGABRO O=C1C[C@H](c2ccccc2)N(Cc2cc(O)cc(Cl)c2)CCN1 ZINC000891727310 1305147808 /nfs/dbraw/zinc/14/78/08/1305147808.db2.gz HIKHNCGOAGZOJT-QGZVFWFLSA-N 1 0 330.815 3.109 40 0 EGABRO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2)CCCC1 ZINC000046445456 213798661 /nfs/dbraw/zinc/79/86/61/213798661.db2.gz IBLFBWAOODUZDR-UHFFFAOYSA-N 1 0 325.250 3.053 40 0 EGABRO C[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1cc(F)c(Cl)cc1Cl ZINC000181646077 234267412 /nfs/dbraw/zinc/26/74/12/234267412.db2.gz KAXUHSNNXJYEDW-UWVGGRQHSA-N 1 0 332.206 3.041 40 0 EGABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC[NH+]1CCCCC1 ZINC000038754171 213223755 /nfs/dbraw/zinc/22/37/55/213223755.db2.gz UXAGTPAUQPTJDF-GOSISDBHSA-N 1 0 332.488 3.453 40 0 EGABRO COc1ccc(OCCc2cc([C@H]3CC[N@H+](CC(C)C)C3)[nH]n2)cc1 ZINC000072371199 216176875 /nfs/dbraw/zinc/17/68/75/216176875.db2.gz UHJGWUNJAOCTFA-INIZCTEOSA-N 1 0 343.471 3.485 40 0 EGABRO Cc1n[nH]c(C)c1NC(=O)CCc1cc(C)nc([C@H]2CCC[N@H+]2C)c1 ZINC000072366902 216172539 /nfs/dbraw/zinc/17/25/39/216172539.db2.gz VELDVJGYBGARMP-QGZVFWFLSA-N 1 0 341.459 3.068 40 0 EGABRO c1ccc(Nc2nccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)nc1 ZINC000072377633 216179718 /nfs/dbraw/zinc/17/97/18/216179718.db2.gz VQUMMDOISDLQLU-KRWDZBQOSA-N 1 0 346.438 3.390 40 0 EGABRO C[NH+](C)Cc1ccc(C(N)=O)cc1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129540966 223067331 /nfs/dbraw/zinc/06/73/31/223067331.db2.gz QUIFLAZPYQRXLI-KBPBESRZSA-N 1 0 343.393 3.380 40 0 EGABRO c1cncc(Oc2cncc(C3CC[NH+](C4CCOCC4)CC3)n2)c1 ZINC000072384255 216185119 /nfs/dbraw/zinc/18/51/19/216185119.db2.gz DJJGVEYXKNXMJN-UHFFFAOYSA-N 1 0 340.427 3.022 40 0 EGABRO O=c1cc(C2CC[NH+](Cc3ccncc3)CC2)nc(-c2ccncc2)[nH]1 ZINC000072392703 216191158 /nfs/dbraw/zinc/19/11/58/216191158.db2.gz YHJQKCVCRKUNIC-UHFFFAOYSA-N 1 0 347.422 3.019 40 0 EGABRO COc1ccc(CCC(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000023127954 212352050 /nfs/dbraw/zinc/35/20/50/212352050.db2.gz GCOYEDHPHSPTBZ-UHFFFAOYSA-N 1 0 344.499 3.399 40 0 EGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@H]2C[NH3+])cc1 ZINC000218578476 241333077 /nfs/dbraw/zinc/33/30/77/241333077.db2.gz NTOUEURIXZHWAP-IKGGRYGDSA-N 1 0 335.856 3.163 40 0 EGABRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCOc2ccccc21 ZINC000225901518 242075275 /nfs/dbraw/zinc/07/52/75/242075275.db2.gz HXVKLQZOXXBQPL-SFHVURJKSA-N 1 0 336.435 3.324 40 0 EGABRO CCN1CC[C@H]([NH2+]Cc2ccn(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000241515644 242992107 /nfs/dbraw/zinc/99/21/07/242992107.db2.gz OGSFPYBSIPRHBB-IRXDYDNUSA-N 1 0 336.842 3.138 40 0 EGABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)c3cc(C(C)(C)C)n[nH]3)CCC[C@@]21C ZINC000257202748 244123461 /nfs/dbraw/zinc/12/34/61/244123461.db2.gz ANGJNFMAEZTEMT-LPHOPBHVSA-N 1 0 332.492 3.186 40 0 EGABRO c1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000257209713 244146307 /nfs/dbraw/zinc/14/63/07/244146307.db2.gz BRPGTPNCEMQONR-QGZVFWFLSA-N 1 0 346.438 3.390 40 0 EGABRO CC(C)Cc1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@@H+]3C)n(C)n1 ZINC000257225873 244201480 /nfs/dbraw/zinc/20/14/80/244201480.db2.gz FIFFZUWOMVNXJZ-ICSRJNTNSA-N 1 0 346.519 3.098 40 0 EGABRO CC(=O)Nc1nc2nc(C3CC[NH+](CC4CC4)CC3)ccc2s1 ZINC000257245393 244256163 /nfs/dbraw/zinc/25/61/63/244256163.db2.gz IPHJQDYMANEMNP-UHFFFAOYSA-N 1 0 330.457 3.239 40 0 EGABRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000020112019 212103492 /nfs/dbraw/zinc/10/34/92/212103492.db2.gz HDLUJNPSWQCBCL-QWHCGFSZSA-N 1 0 332.806 3.260 40 0 biogenic EGABRO O=C(Nc1cc(CCC2CC[NH2+]CC2)ccn1)c1ccc(F)cc1 ZINC000257284031 244416503 /nfs/dbraw/zinc/41/65/03/244416503.db2.gz PAZLCUUDIAZIKX-UHFFFAOYSA-N 1 0 327.403 3.405 40 0 EGABRO COc1ccc(-c2ncc(CN(C)CC[NH+]3CCCCC3)cn2)cc1 ZINC000019586097 212047350 /nfs/dbraw/zinc/04/73/50/212047350.db2.gz LIXRLJYHTGAMFK-UHFFFAOYSA-N 1 0 340.471 3.070 40 0 EGABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)[nH]c(=O)c1C ZINC000019555360 212041233 /nfs/dbraw/zinc/04/12/33/212041233.db2.gz LCSRQXLBGNMPDW-CQSZACIVSA-N 1 0 333.382 3.045 40 0 EGABRO CCC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019499269 212034061 /nfs/dbraw/zinc/03/40/61/212034061.db2.gz ILVYYKLIYYCHFQ-WBVHZDCISA-N 1 0 344.484 3.018 40 0 EGABRO O=C(c1ccccn1)N1CCCCC[C@H]2[NH2+]C[C@@H](c3ccccc3)[C@@H]21 ZINC000019373779 212024556 /nfs/dbraw/zinc/02/45/56/212024556.db2.gz HMJKQTTVXLFUGY-NSHGMRRFSA-N 1 0 335.451 3.222 40 0 EGABRO O=C1CCC[C@]2(C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)N1 ZINC000019372602 212022359 /nfs/dbraw/zinc/02/23/59/212022359.db2.gz RWYGDVGFPCVSEV-PZJWPPBQSA-N 1 0 338.426 3.464 40 0 EGABRO OC1(Cn2ccc3ncccc32)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019346455 212020245 /nfs/dbraw/zinc/02/02/45/212020245.db2.gz HBPIXTMQKDRZGL-KRWDZBQOSA-N 1 0 325.456 3.220 40 0 EGABRO OCC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000078776839 217120687 /nfs/dbraw/zinc/12/06/87/217120687.db2.gz QRQNJXFZIQHWDD-IBGZPJMESA-N 1 0 326.440 3.398 40 0 EGABRO C[C@@H]([NH2+]C1(CNC(=O)c2cccs2)CCOCC1)c1ccccc1 ZINC000079096186 217191517 /nfs/dbraw/zinc/19/15/17/217191517.db2.gz PVOJYUQUZXPWBR-OAHLLOKOSA-N 1 0 344.480 3.378 40 0 EGABRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 ZINC000012366525 211357202 /nfs/dbraw/zinc/35/72/02/211357202.db2.gz HIWQTELKPRQXJO-QFBILLFUSA-N 1 0 327.428 3.442 40 0 EGABRO Cc1ccsc1C[N@H+](CCCO)Cc1cc2c(cc1C)OCO2 ZINC000012291853 211335432 /nfs/dbraw/zinc/33/54/32/211335432.db2.gz JPGTZGHUKDIDCU-UHFFFAOYSA-N 1 0 333.453 3.478 40 0 EGABRO Cc1cc2ncc([C@H](C)[NH2+]CCc3cn4cccc(C)c4n3)c(C)n2n1 ZINC000091732159 218054497 /nfs/dbraw/zinc/05/44/97/218054497.db2.gz BZGYYMSZAIMLFW-HNNXBMFYSA-N 1 0 348.454 3.196 40 0 EGABRO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1-c1ncco1 ZINC000092929976 218182001 /nfs/dbraw/zinc/18/20/01/218182001.db2.gz XWBXTFFWTFBVKN-HOCLYGCPSA-N 1 0 340.427 3.350 40 0 EGABRO COC(=O)c1cc(C[NH+]2CCC(Nc3ccccc3F)CC2)c[nH]1 ZINC000093607953 218234521 /nfs/dbraw/zinc/23/45/21/218234521.db2.gz HHCNQBWKOZTKHI-UHFFFAOYSA-N 1 0 331.391 3.017 40 0 EGABRO Cc1cccc(NC[C@@H]2CCN(c3nnc(C(F)(F)F)s3)C2)[nH+]1 ZINC000154224802 224221521 /nfs/dbraw/zinc/22/15/21/224221521.db2.gz WAQMJXFARGGIMC-JTQLQIEISA-N 1 0 343.378 3.199 40 0 EGABRO NC(=[NH2+])c1ccc(OCCCCOc2ccc(N)cc2Cl)cc1 ZINC000001748690 257911331 /nfs/dbraw/zinc/91/13/31/257911331.db2.gz BPBPWJVLIMQKGK-UHFFFAOYSA-N 1 0 333.819 3.444 40 0 EGABRO c1cc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)co1 ZINC000306140510 257924003 /nfs/dbraw/zinc/92/40/03/257924003.db2.gz UVXAXFZRNSPOCV-GOSISDBHSA-N 1 0 345.406 3.374 40 0 EGABRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc[nH]c2=S)cc1 ZINC000032879745 258058936 /nfs/dbraw/zinc/05/89/36/258058936.db2.gz ODJPKVGYTUGQTJ-UHFFFAOYSA-N 1 0 329.469 3.142 40 0 EGABRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccn1 ZINC000191643544 533542178 /nfs/dbraw/zinc/54/21/78/533542178.db2.gz XCBWYKNMOMYUPM-ACJLOTCBSA-N 1 0 345.393 3.202 40 0 EGABRO C[C@H]1CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)C1 ZINC000036741231 132392783 /nfs/dbraw/zinc/39/27/83/132392783.db2.gz VTPOIGCASOIQLF-YWZLYKJASA-N 1 0 342.483 3.141 40 0 EGABRO CCOC1CC[NH+](C[C@](C)(O)c2ccccc2C(F)(F)F)CC1 ZINC000075645208 286019180 /nfs/dbraw/zinc/01/91/80/286019180.db2.gz FLQXNJNPSWNPFX-INIZCTEOSA-N 1 0 331.378 3.414 40 0 EGABRO Cc1ccc2c(c1)CN(Cc1ccccc1F)[C@H](C[NH+](C)C)CO2 ZINC000019219393 292326529 /nfs/dbraw/zinc/32/65/29/292326529.db2.gz HQIDLEBINIUMAI-GOSISDBHSA-N 1 0 328.431 3.459 40 0 EGABRO COCC[N@@H+]1CCCC[C@H]1c1cc(Nc2nccs2)nc(C)n1 ZINC000072382688 274026024 /nfs/dbraw/zinc/02/60/24/274026024.db2.gz VVPAYZIVBMTUFI-AWEZNQCLSA-N 1 0 333.461 3.159 40 0 EGABRO CC(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(C)CC3)ccc21 ZINC000012291380 277331430 /nfs/dbraw/zinc/33/14/30/277331430.db2.gz XOKPAXGBPNNSFB-HXUWFJFHSA-N 1 0 344.499 3.387 40 0 EGABRO C[C@@H](c1ccccc1)[NH+]1CCC(N2C(=O)N3CCC[C@]3(C)C2=O)CC1 ZINC000253630255 278419354 /nfs/dbraw/zinc/41/93/54/278419354.db2.gz QPJUITBSPGLSNS-MGPUTAFESA-N 1 0 341.455 3.029 40 0 EGABRO CC(C)[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc2c(c1)CCO2 ZINC000091339391 279904465 /nfs/dbraw/zinc/90/44/65/279904465.db2.gz RQTFRRURRNNUJO-LJQANCHMSA-N 1 0 332.488 3.019 40 0 EGABRO Cc1nc(C)c(-c2csc(NC(=O)[C@@H]3CCC[NH2+][C@H]3C)n2)s1 ZINC000333248356 308854537 /nfs/dbraw/zinc/85/45/37/308854537.db2.gz GEORCVNKBFFAKD-GZMMTYOYSA-N 1 0 336.486 3.210 40 0 EGABRO C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)C1CCOCC1 ZINC000096478123 454364090 /nfs/dbraw/zinc/36/40/90/454364090.db2.gz OKNFABSZTUHUKK-IUDNXUCKSA-N 1 0 326.481 3.227 40 0 EGABRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cccc(-n2ccnc2)c1 ZINC000189887731 455250211 /nfs/dbraw/zinc/25/02/11/455250211.db2.gz XLLVUXSRFSSZFK-IFXJQAMLSA-N 1 0 325.387 3.396 40 0 EGABRO CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COC[C@H]1CC=CCC1 ZINC000000110070 452510154 /nfs/dbraw/zinc/51/01/54/452510154.db2.gz GAHNUXUZIZSIOF-ZWKOTPCHSA-N 1 0 343.491 3.152 40 0 EGABRO Nc1ccc(C(=O)O[C@@H](CC[NH+]2CCCCC2)C(F)(F)F)cc1 ZINC000001688811 452673874 /nfs/dbraw/zinc/67/38/74/452673874.db2.gz FHAVNJLDAXWUSZ-AWEZNQCLSA-N 1 0 330.350 3.233 40 0 EGABRO CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCCCc2ccccc2)cc1 ZINC000001715691 452675679 /nfs/dbraw/zinc/67/56/79/452675679.db2.gz RHDNKXYQUZIPEI-UHFFFAOYSA-N 1 0 349.482 3.438 40 0 EGABRO COc1ccccc1[N+]1=C2CCCCN2[C@@](O)(c2cccs2)C1 ZINC000002966244 452735842 /nfs/dbraw/zinc/73/58/42/452735842.db2.gz FOHBSXVXHOXBND-SFHVURJKSA-N 1 0 329.445 3.017 40 0 EGABRO c1ccc(N2CCN(C3CC[NH+]([C@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1 ZINC000004109119 452792455 /nfs/dbraw/zinc/79/24/55/452792455.db2.gz NTMVEFPSIQONBD-JQVVWYNYSA-N 1 0 339.527 3.462 40 0 EGABRO CCc1nc2sc3c(c2c(N2CC[NH+](CC)CC2)n1)CCCC3 ZINC000004131278 452794642 /nfs/dbraw/zinc/79/46/42/452794642.db2.gz OVZDPAJTCNRMAQ-UHFFFAOYSA-N 1 0 330.501 3.274 40 0 EGABRO CCC(CC)C(=O)Nc1nnc(SCC[NH+]2CCCCC2)s1 ZINC000006050679 452918115 /nfs/dbraw/zinc/91/81/15/452918115.db2.gz GOVDDNDXZUMYER-UHFFFAOYSA-N 1 0 342.534 3.491 40 0 EGABRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cccc(OC)c2)CC1 ZINC000007268316 453054300 /nfs/dbraw/zinc/05/43/00/453054300.db2.gz FYXZRZAQMOMSSR-UHFFFAOYSA-N 1 0 339.439 3.089 40 0 EGABRO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000008326344 453191680 /nfs/dbraw/zinc/19/16/80/453191680.db2.gz PGZDGEWXDHBFAJ-SFHVURJKSA-N 1 0 329.440 3.443 40 0 EGABRO O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000012807904 453408598 /nfs/dbraw/zinc/40/85/98/453408598.db2.gz YRQGLKPADYIERU-SFHVURJKSA-N 1 0 338.382 3.259 40 0 EGABRO O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000016606238 453615725 /nfs/dbraw/zinc/61/57/25/453615725.db2.gz CAFIGDFINKZEJD-GMBSWORKSA-N 1 0 330.447 3.343 40 0 EGABRO O=C1NC[C@H]([C@@H]2CCC[N@H+](Cc3ccccc3)C2)Oc2ccccc21 ZINC000019371934 453656475 /nfs/dbraw/zinc/65/64/75/453656475.db2.gz GGNONQJFXASSTJ-YLJYHZDGSA-N 1 0 336.435 3.090 40 0 EGABRO COc1ccccc1N1CC[NH+](C[C@H](O)c2cc(C)sc2C)CC1 ZINC000019567922 453657684 /nfs/dbraw/zinc/65/76/84/453657684.db2.gz NULXQZUZEIMSGK-SFHVURJKSA-N 1 0 346.496 3.229 40 0 EGABRO CCCC[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000023991655 453720570 /nfs/dbraw/zinc/72/05/70/453720570.db2.gz BGEILKCSNQWDRQ-UHFFFAOYSA-N 1 0 338.473 3.084 40 0 EGABRO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2ccc(Br)o2)n[nH]1 ZINC000095534920 454230891 /nfs/dbraw/zinc/23/08/91/454230891.db2.gz YSTOKKHTJCYJGB-JTQLQIEISA-N 1 0 333.189 3.070 40 0 EGABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[NH2+]CCN ZINC000095858021 454232204 /nfs/dbraw/zinc/23/22/04/454232204.db2.gz UCLYPBSPTCWPOQ-QKSWPAOXSA-N 1 0 334.548 3.307 40 0 EGABRO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000071953244 454262002 /nfs/dbraw/zinc/26/20/02/454262002.db2.gz LNZKIZPKVKUALH-INIZCTEOSA-N 1 0 332.463 3.481 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)s1 ZINC000096042538 454268237 /nfs/dbraw/zinc/26/82/37/454268237.db2.gz WEQBCFXQPDDEFY-QRVBRYPASA-N 1 0 344.480 3.400 40 0 EGABRO O=C(c1ccsc1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096046959 454269607 /nfs/dbraw/zinc/26/96/07/454269607.db2.gz HBXDKVYTUUJPAM-IBGZPJMESA-N 1 0 341.480 3.271 40 0 EGABRO O=C(c1cscn1)N1CCC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096046536 454270440 /nfs/dbraw/zinc/27/04/40/454270440.db2.gz OUFSLPOZSGOPDN-UHFFFAOYSA-N 1 0 347.509 3.333 40 0 EGABRO Fc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)cc1 ZINC000096048252 454271539 /nfs/dbraw/zinc/27/15/39/454271539.db2.gz MYFJIVPLFJRIFS-WOJBJXKFSA-N 1 0 342.414 3.423 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)o1 ZINC000096047874 454271800 /nfs/dbraw/zinc/27/18/00/454271800.db2.gz GDBWZUOAYRHXEX-IBGZPJMESA-N 1 0 342.439 3.323 40 0 EGABRO Cc1ccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccsc2)C3)nn1 ZINC000096048445 454271811 /nfs/dbraw/zinc/27/18/11/454271811.db2.gz XKXNPPZXEKWQKL-WMZOPIPTSA-N 1 0 344.484 3.082 40 0 EGABRO Cc1ccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccs2)C3)nn1 ZINC000096048437 454271825 /nfs/dbraw/zinc/27/18/25/454271825.db2.gz AWXCJRFHAIIYDH-YJBOKZPZSA-N 1 0 344.484 3.082 40 0 EGABRO c1csc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1 ZINC000096047885 454271944 /nfs/dbraw/zinc/27/19/44/454271944.db2.gz ALKZDFVDCKJXCM-INIZCTEOSA-N 1 0 330.453 3.346 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)o1 ZINC000096049549 454272853 /nfs/dbraw/zinc/27/28/53/454272853.db2.gz SIVDRQLYCSDWJU-HXUWFJFHSA-N 1 0 341.455 3.102 40 0 EGABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1cccs1)[C@H]2C ZINC000096061997 454278475 /nfs/dbraw/zinc/27/84/75/454278475.db2.gz HQOGTEILRDWEDL-ZDUSSCGKSA-N 1 0 332.473 3.002 40 0 EGABRO O=C(Nc1ccccc1)N1C[C@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096090680 454281242 /nfs/dbraw/zinc/28/12/42/454281242.db2.gz ZNBFXUDSUUKNJS-IAGOWNOFSA-N 1 0 339.414 3.421 40 0 EGABRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3nccs3)C2)C1=O ZINC000096100302 454282780 /nfs/dbraw/zinc/28/27/80/454282780.db2.gz IRGUNIUZLUFOII-LJQANCHMSA-N 1 0 341.480 3.289 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](CC3CCOCC3)CC[C@H]2OC)cc1 ZINC000096110269 454285957 /nfs/dbraw/zinc/28/59/57/454285957.db2.gz XLSBUKPKYJNEFS-AZUAARDMSA-N 1 0 333.472 3.001 40 0 EGABRO c1cc(C[N@H+]2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)cs1 ZINC000096111169 454287310 /nfs/dbraw/zinc/28/73/10/454287310.db2.gz ITVIPCDVVRJPEW-MSOLQXFVSA-N 1 0 330.453 3.203 40 0 EGABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc2ccc(Cl)cc2c1=O ZINC000072324641 454294386 /nfs/dbraw/zinc/29/43/86/454294386.db2.gz CLYIEFQKKICHAM-DOMZBBRYSA-N 1 0 332.831 3.115 40 0 EGABRO O=C1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3cccs3)CC2)N1 ZINC000096199579 454302989 /nfs/dbraw/zinc/30/29/89/454302989.db2.gz NMZIDTQDQVYXCI-KRWDZBQOSA-N 1 0 326.465 3.386 40 0 EGABRO Cc1ccsc1C[N@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC000096207224 454303827 /nfs/dbraw/zinc/30/38/27/454303827.db2.gz VQIRWEZPLKFPDE-MRXNPFEDSA-N 1 0 331.485 3.312 40 0 EGABRO CCOC[C@H]1CCC2(CCN(Cc3ccccc3OC)CC2)[N@@H+]1C ZINC000096206780 454304236 /nfs/dbraw/zinc/30/42/36/454304236.db2.gz WYSSDXQQGHGDPF-GOSISDBHSA-N 1 0 332.488 3.161 40 0 EGABRO CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3cccc(F)c3)C2)O1 ZINC000096218155 454306588 /nfs/dbraw/zinc/30/65/88/454306588.db2.gz BCLQWGCJTWPVEC-UYAOXDASSA-N 1 0 348.462 3.112 40 0 EGABRO Fc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216928 454307430 /nfs/dbraw/zinc/30/74/30/454307430.db2.gz YOEIYCGQGADOPN-IBGZPJMESA-N 1 0 326.419 3.108 40 0 EGABRO c1cc(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)co1 ZINC000096216331 454307931 /nfs/dbraw/zinc/30/79/31/454307931.db2.gz HERXTPPAFNNREE-GOSISDBHSA-N 1 0 342.439 3.372 40 0 EGABRO O=C1CCC2(CC[NH+](Cc3ccsc3)CC2)N1Cc1cccnc1 ZINC000096228152 454309141 /nfs/dbraw/zinc/30/91/41/454309141.db2.gz WFQBAZLEQCUENV-UHFFFAOYSA-N 1 0 341.480 3.300 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccncc2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096239579 454310895 /nfs/dbraw/zinc/31/08/95/454310895.db2.gz CGPTZCOOEZDYAZ-GOSISDBHSA-N 1 0 344.409 3.214 40 0 EGABRO Cc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2nccs2)C3)cc1 ZINC000096269402 454314276 /nfs/dbraw/zinc/31/42/76/454314276.db2.gz HYNDLHFBBWHTTK-HNNXBMFYSA-N 1 0 340.452 3.004 40 0 biogenic,in-vitro EGABRO CSC[C@@H](C)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000096413979 454330601 /nfs/dbraw/zinc/33/06/01/454330601.db2.gz AGNZWNBUPWHOOL-OAHLLOKOSA-N 1 0 349.544 3.402 40 0 EGABRO COc1ccc([C@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)cc1NC(C)=O ZINC000096476516 454362763 /nfs/dbraw/zinc/36/27/63/454362763.db2.gz XBMUGDYQLUDHJJ-SUMWQHHRSA-N 1 0 340.423 3.308 40 0 EGABRO COC[C@@H]([NH2+]C1CCN(c2nc(C)cs2)CC1)c1ccc(C)o1 ZINC000096478903 454364387 /nfs/dbraw/zinc/36/43/87/454364387.db2.gz XIFICOMVPRCBMH-OAHLLOKOSA-N 1 0 335.473 3.299 40 0 EGABRO O=S(=O)(c1ccc(NC2CC[NH+](C3CC3)CC2)cc1)C(F)(F)F ZINC000047510439 454379902 /nfs/dbraw/zinc/37/99/02/454379902.db2.gz OSBBAQFNARKMRB-UHFFFAOYSA-N 1 0 348.390 3.019 40 0 EGABRO O=C(Nc1ccc(NC2CCOCC2)cc1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000097376440 454434839 /nfs/dbraw/zinc/43/48/39/454434839.db2.gz KNDUPSBQAJNUMA-IBGZPJMESA-N 1 0 343.471 3.090 40 0 EGABRO COC(=O)c1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000048353877 454477183 /nfs/dbraw/zinc/47/71/83/454477183.db2.gz LXPJDRSQXBWTPO-HNNXBMFYSA-N 1 0 347.459 3.107 40 0 EGABRO COc1cccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)c1 ZINC000049169499 454537529 /nfs/dbraw/zinc/53/75/29/454537529.db2.gz KQZDQCLBHDFCLE-AWEZNQCLSA-N 1 0 325.368 3.328 40 0 biogenic,in-vitro EGABRO O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000074335178 454567232 /nfs/dbraw/zinc/56/72/32/454567232.db2.gz UCJAYCXXTWQRQR-GOSISDBHSA-N 1 0 337.423 3.048 40 0 EGABRO c1coc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000107712384 454769930 /nfs/dbraw/zinc/76/99/30/454769930.db2.gz ISHJGZWJLXIHDY-UXHICEINSA-N 1 0 342.439 3.263 40 0 EGABRO C[C@H]([NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C1CCOCC1 ZINC000245287213 455281745 /nfs/dbraw/zinc/28/17/45/455281745.db2.gz BMBOARDOHDAIOH-BPUTZDHNSA-N 1 0 326.481 3.085 40 0 EGABRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1cccc(F)c1F ZINC000245927716 455401645 /nfs/dbraw/zinc/40/16/45/455401645.db2.gz HWQMXLNTAGFVEC-WOSRLPQWSA-N 1 0 337.414 3.152 40 0 EGABRO Cc1cncc(COCC[C@H]2CCOC3(C[NH+](CC4CC4)C3)C2)c1 ZINC000247843253 455648792 /nfs/dbraw/zinc/64/87/92/455648792.db2.gz RBCYBKWOQUWHAH-KRWDZBQOSA-N 1 0 330.472 3.188 40 0 EGABRO CC(=O)N1CCc2cc([C@H](O)C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)ccc21 ZINC000247961513 455660548 /nfs/dbraw/zinc/66/05/48/455660548.db2.gz VLTGLJGOXUUTIJ-LDQXTDLNSA-N 1 0 342.483 3.284 40 0 EGABRO c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000257329903 455893332 /nfs/dbraw/zinc/89/33/32/455893332.db2.gz XLYWZJSMGCWQMG-ZDUSSCGKSA-N 1 0 325.441 3.308 40 0 EGABRO C[N@@H+](Cc1ccc(OCCF)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257340317 455895615 /nfs/dbraw/zinc/89/56/15/455895615.db2.gz ZFLZHECZQCJKTK-QGZVFWFLSA-N 1 0 339.451 3.177 40 0 EGABRO COC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818221 455900704 /nfs/dbraw/zinc/90/07/04/455900704.db2.gz YAXHWRACWMRLSQ-HNNXBMFYSA-N 1 0 334.460 3.161 40 0 EGABRO CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000195554552 455983373 /nfs/dbraw/zinc/98/33/73/455983373.db2.gz BPVBYCUINWINEF-MNOVXSKESA-N 1 0 349.422 3.241 40 0 EGABRO CC(C)COC(=O)N1CCC([NH2+][C@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000195551348 455983986 /nfs/dbraw/zinc/98/39/86/455983986.db2.gz QOZLONHNMKUSGV-OALUTQOASA-N 1 0 346.471 3.363 40 0 EGABRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cccc(C(F)(F)F)c1F ZINC000195549167 455984336 /nfs/dbraw/zinc/98/43/36/455984336.db2.gz OCGLAKHRIWUCDQ-UHFFFAOYSA-N 1 0 339.292 3.138 40 0 EGABRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)C1=CCCCCC1 ZINC000195569253 455986187 /nfs/dbraw/zinc/98/61/87/455986187.db2.gz PEFGSMKVAIUBDU-UHFFFAOYSA-N 1 0 334.504 3.153 40 0 EGABRO CO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000225643584 456100616 /nfs/dbraw/zinc/10/06/16/456100616.db2.gz MSLBTDXIAQYLTG-HXUWFJFHSA-N 1 0 346.471 3.305 40 0 EGABRO c1nc2n(c1-c1ccccc1)C[C@@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306134842 456567169 /nfs/dbraw/zinc/56/71/69/456567169.db2.gz NZLKKQREBNZUGH-OALUTQOASA-N 1 0 330.435 3.249 40 0 EGABRO COCC[N@@H+]1CC[C@@]12CCCN(C(=O)c1cc(C(C)(C)C)oc1C)C2 ZINC000585101879 459824299 /nfs/dbraw/zinc/82/42/99/459824299.db2.gz JYWDFSANAMAFSB-HXUWFJFHSA-N 1 0 348.487 3.212 40 0 EGABRO CCOCC[C@H]1CCOC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000585103816 459824321 /nfs/dbraw/zinc/82/43/21/459824321.db2.gz DBQOLPWKOTUVTP-KRWDZBQOSA-N 1 0 347.455 3.213 40 0 EGABRO CCc1nc(C)c(C[N@@H+]2CC[C@@H](OC)[C@H](Cc3ccccc3)C2)[nH]1 ZINC000585279516 459832236 /nfs/dbraw/zinc/83/22/36/459832236.db2.gz ZIKDTIARMWSLSN-IEBWSBKVSA-N 1 0 327.472 3.360 40 0 EGABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000585289920 459833090 /nfs/dbraw/zinc/83/30/90/459833090.db2.gz XQFTUKYZOPPVGM-RCCFBDPRSA-N 1 0 332.831 3.186 40 0 EGABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+][C@H](CO)Cc3ccccc3)cc12 ZINC000585292815 459834429 /nfs/dbraw/zinc/83/44/29/459834429.db2.gz AVMPPUDTZFPUKH-SFHVURJKSA-N 1 0 336.435 3.250 40 0 EGABRO CCOc1cccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000225737076 535469712 /nfs/dbraw/zinc/46/97/12/535469712.db2.gz LAAYUNVJMJCZDZ-OAHLLOKOSA-N 1 0 335.517 3.494 40 0 EGABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2cccc(F)c2F)n1 ZINC000257255006 536049914 /nfs/dbraw/zinc/04/99/14/536049914.db2.gz KFSKWBQXLCLXQS-INIZCTEOSA-N 1 0 332.398 3.154 40 0 EGABRO COc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+]2C2CCOCC2)c1 ZINC000257230959 537062166 /nfs/dbraw/zinc/06/21/66/537062166.db2.gz GEPPEOCXQJQWBV-GOSISDBHSA-N 1 0 327.428 3.401 40 0 EGABRO CC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CCO2 ZINC000306132256 547460583 /nfs/dbraw/zinc/46/05/83/547460583.db2.gz LDAAOGODECCYJB-CTAFRAEOSA-N 1 0 346.515 3.129 40 0 EGABRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000019082425 282118821 /nfs/dbraw/zinc/11/88/21/282118821.db2.gz NDTCEBAFKYOHDQ-CABCVRRESA-N 1 0 347.503 3.382 40 0 EGABRO Cc1cc(C)c(C)c(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000004305231 210164582 /nfs/dbraw/zinc/16/45/82/210164582.db2.gz NSUPENCYWPKROY-HXUWFJFHSA-N 1 0 325.452 3.410 40 0 EGABRO C[N@H+](Cc1cc2ccccc2o1)C1CCN(CCn2cccn2)CC1 ZINC000178529970 529981026 /nfs/dbraw/zinc/98/10/26/529981026.db2.gz RQIGCWJUUGFVLB-UHFFFAOYSA-N 1 0 338.455 3.226 40 0 EGABRO C[C@H](Oc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374719 213797713 /nfs/dbraw/zinc/79/77/13/213797713.db2.gz OVHOBKXJGLBIJH-KRWDZBQOSA-N 1 0 338.451 3.366 40 0 EGABRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)CC[C@@H]2N1C1CC1 ZINC000189737313 237200509 /nfs/dbraw/zinc/20/05/09/237200509.db2.gz VQBIFUIXXIUVEY-DYVFJYSZSA-N 1 0 336.838 3.454 40 0 EGABRO COc1cccc(C[N@@H+]2CCCC[C@H]3CN(C(=O)C4CCC4)C[C@H]32)c1 ZINC000072330631 216154505 /nfs/dbraw/zinc/15/45/05/216154505.db2.gz NACMAXHHDCFCAE-AZUAARDMSA-N 1 0 342.483 3.308 40 0 EGABRO c1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)nc1 ZINC000072377652 216178662 /nfs/dbraw/zinc/17/86/62/216178662.db2.gz IAUNHGBBGCTRRS-MRXNPFEDSA-N 1 0 346.438 3.390 40 0 EGABRO COc1ccc(OCCc2cc([C@@H]3CC[N@H+](CC(C)C)C3)[nH]n2)cc1 ZINC000072371200 216177791 /nfs/dbraw/zinc/17/77/91/216177791.db2.gz UHJGWUNJAOCTFA-MRXNPFEDSA-N 1 0 343.471 3.485 40 0 EGABRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)cn2nnnc12)c1cccnc1 ZINC000072392394 216191596 /nfs/dbraw/zinc/19/15/96/216191596.db2.gz GSJJLTBDBZIXRO-AWEZNQCLSA-N 1 0 330.395 3.037 40 0 EGABRO Clc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000072393828 216192313 /nfs/dbraw/zinc/19/23/13/216192313.db2.gz QVMLEOXPOLELDG-ZDUSSCGKSA-N 1 0 327.819 3.386 40 0 EGABRO C[NH+](C)C[C@H]1CCN(C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000129752107 223087578 /nfs/dbraw/zinc/08/75/78/223087578.db2.gz NQXVAMQVSMBPIZ-CYBMUJFWSA-N 1 0 344.286 3.129 40 0 EGABRO c1cnc(N[C@@H]2CCOC3(CC[NH+](C[C@H]4CC=CCC4)CC3)C2)nc1 ZINC000108534561 219902602 /nfs/dbraw/zinc/90/26/02/219902602.db2.gz NNYWJBKARIBODU-ZWKOTPCHSA-N 1 0 342.487 3.258 40 0 EGABRO O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1cncc(Cl)c1)C2)N1CCCC1 ZINC000108533843 219901656 /nfs/dbraw/zinc/90/16/56/219901656.db2.gz AQSZHHXBEIPVSO-IEBWSBKVSA-N 1 0 347.890 3.350 40 0 EGABRO FC(F)(F)CCN1CCC([NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC000195556424 241004852 /nfs/dbraw/zinc/00/48/52/241004852.db2.gz PXTGGRLJMGLORH-INIZCTEOSA-N 1 0 341.421 3.272 40 0 EGABRO CNC(=O)c1sc2nc([C@]3(C)CCC[N@@H+](C(C)C)C3)ccc2c1N ZINC000257208162 244140550 /nfs/dbraw/zinc/14/05/50/244140550.db2.gz BLADLXLYAKQVKI-GOSISDBHSA-N 1 0 346.500 3.000 40 0 EGABRO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)c1 ZINC000257219535 244177577 /nfs/dbraw/zinc/17/75/77/244177577.db2.gz DHDAWPGJVPJIGD-CSHXORCISA-N 1 0 337.423 3.045 40 0 EGABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3sc(C)nc3C)C2)c1 ZINC000257223987 244194218 /nfs/dbraw/zinc/19/42/18/244194218.db2.gz DZUFCXZIQHZVFL-CYBMUJFWSA-N 1 0 330.457 3.135 40 0 EGABRO COc1ccc(CN2CCC[C@H]2c2nccc(C[NH+](C)C)n2)c(F)c1 ZINC000257257825 244286356 /nfs/dbraw/zinc/28/63/56/244286356.db2.gz KRFMMALJUZQGEV-SFHVURJKSA-N 1 0 344.434 3.023 40 0 EGABRO O=C1OC[C@@H](Cc2ccccc2)N1c1cccc(C2CC[NH2+]CC2)n1 ZINC000257274627 244387990 /nfs/dbraw/zinc/38/79/90/244387990.db2.gz NLXWXUQUBFRYRK-QGZVFWFLSA-N 1 0 337.423 3.117 40 0 EGABRO Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N(C[C@H](C)[NH3+])C2=O ZINC000019923444 212084538 /nfs/dbraw/zinc/08/45/38/212084538.db2.gz DUUHEMHBESXJJS-LIRRHRJNSA-N 1 0 346.434 3.073 40 0 EGABRO COc1ccc2c(c1)OCC(C[N@H+](C)CCCn1nc(C)cc1C)=C2 ZINC000019717657 212057517 /nfs/dbraw/zinc/05/75/17/212057517.db2.gz RQFMPNIFJREYLA-UHFFFAOYSA-N 1 0 341.455 3.306 40 0 EGABRO COc1ccc(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1OC ZINC000019359667 212021343 /nfs/dbraw/zinc/02/13/43/212021343.db2.gz QEGUEZZXBCYEKP-JQHSSLGASA-N 1 0 330.472 3.010 40 0 EGABRO Fc1cc(CN2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)ccc1Cl ZINC000019292966 212013503 /nfs/dbraw/zinc/01/35/03/212013503.db2.gz FJSCAODYPPIGML-KRWDZBQOSA-N 1 0 346.837 3.252 40 0 EGABRO Fc1cccc(C[N@@H+]2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)c1 ZINC000019293910 212013185 /nfs/dbraw/zinc/01/31/85/212013185.db2.gz QAICJWAMQPSBSM-AEFFLSMTSA-N 1 0 349.413 3.099 40 0 EGABRO Cn1nc([C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)c2nccnc21 ZINC000019289372 212011361 /nfs/dbraw/zinc/01/13/61/212011361.db2.gz JLSLFPAUNXZFSY-ZDUSSCGKSA-N 1 0 343.381 3.021 40 0 EGABRO CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc[nH]1 ZINC000078512026 217066388 /nfs/dbraw/zinc/06/63/88/217066388.db2.gz VCSSTDCWYPIFPP-UHFFFAOYSA-N 1 0 325.456 3.389 40 0 EGABRO CCn1nc(C)c(C[NH2+]C2CCN(c3ccc(F)cc3)CC2)c1C ZINC000078552342 217073581 /nfs/dbraw/zinc/07/35/81/217073581.db2.gz BGGVXTWUUSTZSG-UHFFFAOYSA-N 1 0 330.451 3.418 40 0 EGABRO CCC(CC)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000079096445 217191273 /nfs/dbraw/zinc/19/12/73/217191273.db2.gz MTMPIAZJOYPPDE-INIZCTEOSA-N 1 0 332.488 3.439 40 0 EGABRO CC(C)=CC[NH+]1CCC(NC(=O)C[C@H]2OCCc3ccccc32)CC1 ZINC000079361780 217216135 /nfs/dbraw/zinc/21/61/35/217216135.db2.gz QYYXHCZIWRATGQ-HXUWFJFHSA-N 1 0 342.483 3.237 40 0 EGABRO Cc1cnc(-c2nc(C3CC[NH+](Cc4ccsc4)CC3)no2)cn1 ZINC000012337369 211351072 /nfs/dbraw/zinc/35/10/72/211351072.db2.gz XEERSQZZYXGSQU-UHFFFAOYSA-N 1 0 341.440 3.276 40 0 EGABRO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012185043 211312107 /nfs/dbraw/zinc/31/21/07/211312107.db2.gz GZJHBYMSSLYDFO-UHFFFAOYSA-N 1 0 331.419 3.304 40 0 EGABRO C[NH+](C)CCNc1ncc(-c2ccncc2)c(-c2cccs2)n1 ZINC000012222346 211323627 /nfs/dbraw/zinc/32/36/27/211323627.db2.gz LECPKHIQDOBLMP-UHFFFAOYSA-N 1 0 325.441 3.241 40 0 EGABRO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)n1cnc2ccccc21 ZINC000012148557 211307299 /nfs/dbraw/zinc/30/72/99/211307299.db2.gz SGFVFIPOMBHZGP-WMZOPIPTSA-N 1 0 342.487 3.224 40 0 EGABRO Cc1ccc(NC(=O)N2Cc3ccccc3C2)c(OCC[NH+](C)C)c1 ZINC000095399559 218332730 /nfs/dbraw/zinc/33/27/30/218332730.db2.gz FTVHCHLBLUWIKQ-UHFFFAOYSA-N 1 0 339.439 3.483 40 0 EGABRO CC1CC[NH+](CC(=O)N[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000095416897 218355540 /nfs/dbraw/zinc/35/55/40/218355540.db2.gz OLEHPMNZOYEPPW-FQEVSTJZSA-N 1 0 341.430 3.158 40 0 EGABRO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000008326350 210936117 /nfs/dbraw/zinc/93/61/17/210936117.db2.gz PUYTZHMEXBMUCK-INIZCTEOSA-N 1 0 333.403 3.274 40 0 EGABRO Cc1ccc(C[NH2+]C[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)s1 ZINC000096061082 218554256 /nfs/dbraw/zinc/55/42/56/218554256.db2.gz NARKWVFMKONBLD-OAHLLOKOSA-N 1 0 340.452 3.004 40 0 EGABRO CN(C)C(=O)N1CC2(CC[NH+](CC3CC3)CC2)c2cc(F)ccc21 ZINC000096161069 218638008 /nfs/dbraw/zinc/63/80/08/218638008.db2.gz HAEGOLAIUVSSQL-UHFFFAOYSA-N 1 0 331.435 3.071 40 0 EGABRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1(Cl)Cl ZINC000096432966 218808924 /nfs/dbraw/zinc/80/89/24/218808924.db2.gz BGFZCIWJHPROPP-CABCVRRESA-N 1 0 341.282 3.161 40 0 EGABRO Cc1cc2c(cc1C)[n+](C[C@@H](O)COc1ccccc1Cl)cn2C ZINC000005015204 210362403 /nfs/dbraw/zinc/36/24/03/210362403.db2.gz DGVQZLLAYVCQBX-OAHLLOKOSA-N 1 0 345.850 3.176 40 0 EGABRO O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)NC1CCCCC1 ZINC000004966717 210341804 /nfs/dbraw/zinc/34/18/04/210341804.db2.gz ORUZOARTGXXGAR-UHFFFAOYSA-N 1 0 346.446 3.169 40 0 EGABRO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010541000 257860420 /nfs/dbraw/zinc/86/04/20/257860420.db2.gz FCICYQWACQNPPU-OAHLLOKOSA-N 1 0 338.879 3.346 40 0 EGABRO C[C@@]12C[C@H]3CN(C(=O)c4cc5cc(F)ccc5[nH]4)[C@@H]1CCC[C@@H]2[NH2+]3 ZINC000257233887 279180266 /nfs/dbraw/zinc/18/02/66/279180266.db2.gz GREPMDCYIWJIEN-KUZCPNRJSA-N 1 0 327.403 3.052 40 0 EGABRO C[NH+](C)CCCN(Cc1c[nH]nc1-c1ccccc1)Cc1ccccn1 ZINC000019582199 289115065 /nfs/dbraw/zinc/11/50/65/289115065.db2.gz NUNPILZTIGWVHQ-UHFFFAOYSA-N 1 0 349.482 3.426 40 0 EGABRO [NH3+][C@@H]1[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218590197 295326844 /nfs/dbraw/zinc/32/68/44/295326844.db2.gz BMUIPYHQWSFTLI-ZNMIVQPWSA-N 1 0 342.247 3.260 40 0 EGABRO O=C(C1CCCC1)N1CCCC2(CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000096071840 295443673 /nfs/dbraw/zinc/44/36/73/295443673.db2.gz UETJHKMOTHRHFS-GOSISDBHSA-N 1 0 334.504 3.060 40 0 EGABRO CC[C@H](NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000195543309 323887097 /nfs/dbraw/zinc/88/70/97/323887097.db2.gz GTZOLZPVVSAUGA-OIISXLGYSA-N 1 0 346.471 3.051 40 0 EGABRO CC(C)(C[NH2+][C@@H](c1ccncc1)c1ccc(F)cc1)N1CCOCC1 ZINC000183297108 455273267 /nfs/dbraw/zinc/27/32/67/455273267.db2.gz BUQZZGCFJBQUBQ-LJQANCHMSA-N 1 0 343.446 3.011 40 0 EGABRO Cc1cc2c(nc(N3CC[NH2+]CC3)nc2-c2ccccc2F)s1 ZINC000000004901 452491589 /nfs/dbraw/zinc/49/15/89/452491589.db2.gz FVIVKIGLBDRWNR-UHFFFAOYSA-N 1 0 328.416 3.215 40 0 investigational EGABRO Cc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1C ZINC000000802667 452635513 /nfs/dbraw/zinc/63/55/13/452635513.db2.gz AWTHPEWIQNSMHF-UHFFFAOYSA-N 1 0 338.517 3.199 40 0 EGABRO Nc1ccc(C(=O)O[C@H](CC[NH+]2CCCCC2)C(F)(F)F)cc1 ZINC000002044392 452684662 /nfs/dbraw/zinc/68/46/62/452684662.db2.gz FHAVNJLDAXWUSZ-CQSZACIVSA-N 1 0 330.350 3.233 40 0 EGABRO COc1cc(CC[C@H]2c3cc(O)c(OC)cc3CC[N@H+]2C)ccc1O ZINC000003847475 452785141 /nfs/dbraw/zinc/78/51/41/452785141.db2.gz SQOGYRBPCGNZFV-INIZCTEOSA-N 1 0 343.423 3.277 40 0 EGABRO CCC[N@@H+]1C[C@H](C[S@](C)=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000005834050 452905252 /nfs/dbraw/zinc/90/52/52/452905252.db2.gz WOIHSNDTPKFAJW-APQAJVFDSA-N 1 0 330.497 3.287 40 0 EGABRO C[NH+]1CCN(c2ccc(NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000008395110 453201724 /nfs/dbraw/zinc/20/17/24/453201724.db2.gz MHRNATWXRMQHRQ-GVDBMIGSSA-N 1 0 327.472 3.203 40 0 EGABRO CC1CC[NH+](CCCNC(=S)Nc2ccc(F)cc2F)CC1 ZINC000018168914 453646145 /nfs/dbraw/zinc/64/61/45/453646145.db2.gz AJUJTGLINCAUFM-UHFFFAOYSA-N 1 0 327.444 3.373 40 0 EGABRO CC(C)COc1ccccc1C[N@@H+]1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713210 453658331 /nfs/dbraw/zinc/65/83/31/453658331.db2.gz ORESHKIEYHVPRH-ZWKOTPCHSA-N 1 0 330.472 3.355 40 0 EGABRO COc1cccc([C@H](CNC(=O)Nc2cccnc2)[NH+]2CCCC2)c1 ZINC000024535723 453736421 /nfs/dbraw/zinc/73/64/21/453736421.db2.gz WAWKFKVOYNBKIG-SFHVURJKSA-N 1 0 340.427 3.049 40 0 EGABRO CCCC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@H](C)CC ZINC000026650608 453803567 /nfs/dbraw/zinc/80/35/67/453803567.db2.gz RQJGONUMUVXSCF-OAHLLOKOSA-N 1 0 333.476 3.228 40 0 EGABRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000031075280 453846040 /nfs/dbraw/zinc/84/60/40/453846040.db2.gz XDSJRKSNAXFRLS-UHFFFAOYSA-N 1 0 344.480 3.069 40 0 EGABRO Cc1csc(C2(NCc3cc(=O)n4ccccc4n3)CCCC2)n1 ZINC000081596108 453892778 /nfs/dbraw/zinc/89/27/78/453892778.db2.gz OQVXNGIVMQTEOA-UHFFFAOYSA-N 1 0 340.452 3.019 40 0 EGABRO COc1cccc([C@H](CO)[NH2+]Cc2cnc(-c3ccccn3)s2)c1 ZINC000084664921 454004043 /nfs/dbraw/zinc/00/40/43/454004043.db2.gz KZKOCPAAVCKLMW-KRWDZBQOSA-N 1 0 341.436 3.037 40 0 EGABRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)c2ccc[nH]2)cc1 ZINC000077241833 454081102 /nfs/dbraw/zinc/08/11/02/454081102.db2.gz JQPOQIWOXSGCRO-UHFFFAOYSA-N 1 0 340.427 3.082 40 0 EGABRO Cc1cccc(O[C@H](C)C(=O)NCCC[NH+]2CCCCCC2)c1C ZINC000044900993 454125948 /nfs/dbraw/zinc/12/59/48/454125948.db2.gz KXUJXNRKBLSQJA-GOSISDBHSA-N 1 0 332.488 3.453 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCC2CCC2)C1 ZINC000096040286 454266839 /nfs/dbraw/zinc/26/68/39/454266839.db2.gz DGJMIOUXNXTKSN-WOJBJXKFSA-N 1 0 348.487 3.479 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cscn4)C3)CC2)o1 ZINC000096046540 454269893 /nfs/dbraw/zinc/26/98/93/454269893.db2.gz AYJHNNBYENPSML-UHFFFAOYSA-N 1 0 345.468 3.173 40 0 EGABRO Cn1cc([C@@H]2COC3(C2)CC[NH+](Cc2ccc(F)cc2)CC3)cn1 ZINC000096047799 454270967 /nfs/dbraw/zinc/27/09/67/454270967.db2.gz PHDRPUPDDQNVJR-INIZCTEOSA-N 1 0 329.419 3.098 40 0 EGABRO O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](Cc1cccnc1)C2 ZINC000096048748 454271659 /nfs/dbraw/zinc/27/16/59/454271659.db2.gz MGMOLEYSAQIFTR-SFHVURJKSA-N 1 0 327.453 3.162 40 0 EGABRO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2=O)c1 ZINC000096053703 454272653 /nfs/dbraw/zinc/27/26/53/454272653.db2.gz OBHKMTBAWIJAMP-WMZOPIPTSA-N 1 0 326.465 3.147 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccco2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096051140 454272997 /nfs/dbraw/zinc/27/29/97/454272997.db2.gz SELGKGLSDVYEJI-QGZVFWFLSA-N 1 0 333.382 3.412 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2csc(C)n2)s1 ZINC000096055635 454275461 /nfs/dbraw/zinc/27/54/61/454275461.db2.gz OQJONMPNRNOUDO-JKSUJKDBSA-N 1 0 347.509 3.197 40 0 EGABRO c1csc(C[N@H+]2C[C@@H](OCc3ccncc3)[C@@H]3OCCC[C@@H]32)c1 ZINC000096058127 454276184 /nfs/dbraw/zinc/27/61/84/454276184.db2.gz XHCCASSEDVVPHM-RCCFBDPRSA-N 1 0 330.453 3.092 40 0 EGABRO O=C1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccc(F)cc3)CC2)N1 ZINC000096061417 454276250 /nfs/dbraw/zinc/27/62/50/454276250.db2.gz HLCJHXWYQKFIHZ-LJQANCHMSA-N 1 0 338.426 3.464 40 0 EGABRO O=C(CCc1cccnc1)N1CC[C@]2(CCC[N@@H+]2CC2CCCC2)C1 ZINC000096071076 454278141 /nfs/dbraw/zinc/27/81/41/454278141.db2.gz FRQVIBWTJKZJRE-OAQYLSRUSA-N 1 0 341.499 3.271 40 0 EGABRO CC(C)[NH+]1CCC2(C[C@@H](NCc3nccn3C)c3ccccc32)CC1 ZINC000096078986 454279526 /nfs/dbraw/zinc/27/95/26/454279526.db2.gz JOYWLXXWVLPMDZ-LJQANCHMSA-N 1 0 338.499 3.397 40 0 EGABRO Cc1nc(C[N@@H+]2CCCC23CCN(C(=O)c2ccoc2)CC3)cs1 ZINC000096075307 454279856 /nfs/dbraw/zinc/27/98/56/454279856.db2.gz UASVCYQVTJHJRC-UHFFFAOYSA-N 1 0 345.468 3.315 40 0 EGABRO Fc1cccnc1O[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccco1)C2 ZINC000096107392 454285039 /nfs/dbraw/zinc/28/50/39/454285039.db2.gz JWUWCCCKEDTABV-QAPCUYQASA-N 1 0 332.375 3.016 40 0 EGABRO COc1ccc2[nH]c(CO[C@H]3C[N@H+](CCC(C)C)C[C@H]3F)nc2c1 ZINC000096112264 454287640 /nfs/dbraw/zinc/28/76/40/454287640.db2.gz VGGSPHRGAYZHCB-PBHICJAKSA-N 1 0 335.423 3.157 40 0 biogenic,in-vitro EGABRO Cc1ncsc1C[NH+]1CCC2(CO[C@@H](COCC3CC3)C2)CC1 ZINC000096208585 454305390 /nfs/dbraw/zinc/30/53/90/454305390.db2.gz KIHXYHORCFKSKI-MRXNPFEDSA-N 1 0 336.501 3.249 40 0 EGABRO c1cc(COC[C@@H]2COCCC23CC[NH+](C2CCC2)CC3)ccn1 ZINC000096217702 454307157 /nfs/dbraw/zinc/30/71/57/454307157.db2.gz PUWNAGMCBHTKSA-SFHVURJKSA-N 1 0 330.472 3.269 40 0 EGABRO Cc1nc(CN2CC[C@]3(CCC[N@H+](Cc4ccoc4)C3)C2=O)cs1 ZINC000096224370 454309503 /nfs/dbraw/zinc/30/95/03/454309503.db2.gz QGJANOZGHWRSTP-SFHVURJKSA-N 1 0 345.468 3.059 40 0 EGABRO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096245483 454311200 /nfs/dbraw/zinc/31/12/00/454311200.db2.gz PEXMFTUKJOGULG-OKILXGFUSA-N 1 0 347.871 3.001 40 0 EGABRO C[NH+](C)CC(=O)N1CCC2(CCc3cc(-c4cccnc4)ccc32)CC1 ZINC000096241732 454311638 /nfs/dbraw/zinc/31/16/38/454311638.db2.gz AEXKSOJQHSFCDB-UHFFFAOYSA-N 1 0 349.478 3.117 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 ZINC000096254389 454312990 /nfs/dbraw/zinc/31/29/90/454312990.db2.gz HSDHKGSGMXOZSK-UHFFFAOYSA-N 1 0 340.402 3.421 40 0 EGABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccccc4F)C[C@@H]32)C(=O)N1CC ZINC000096261615 454314051 /nfs/dbraw/zinc/31/40/51/454314051.db2.gz SUQWJODGICREMH-PTSWNOGYSA-N 1 0 343.446 3.077 40 0 EGABRO COc1ccc(OC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1O ZINC000090548102 454318821 /nfs/dbraw/zinc/31/88/21/454318821.db2.gz HEJVUVGUVCOISV-WMLDXEAASA-N 1 0 331.387 3.312 40 0 EGABRO CN(Cc1ccc(Br)s1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000096402469 454321386 /nfs/dbraw/zinc/32/13/86/454321386.db2.gz HSUPHZZGUCOKNM-ZDUSSCGKSA-N 1 0 339.258 3.169 40 0 EGABRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C/c2cscn2)CC1 ZINC000096407281 454325057 /nfs/dbraw/zinc/32/50/57/454325057.db2.gz RLJSSLDSJKSRPD-MVGZEHJDSA-N 1 0 341.480 3.498 40 0 EGABRO C[NH+](C)CCn1ccc2ccc(NC(=O)CCc3cscn3)cc21 ZINC000096418430 454334072 /nfs/dbraw/zinc/33/40/72/454334072.db2.gz OYXQLJOPRJODDZ-UHFFFAOYSA-N 1 0 342.468 3.231 40 0 EGABRO CSC[C@@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000096437301 454348431 /nfs/dbraw/zinc/34/84/31/454348431.db2.gz QJLKYAZAUWLLPX-CYBMUJFWSA-N 1 0 332.469 3.320 40 0 EGABRO C[C@](O)(C[NH2+]C1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000090891620 454349640 /nfs/dbraw/zinc/34/96/40/454349640.db2.gz GAURCFNURSLBTF-FQEVSTJZSA-N 1 0 328.431 3.292 40 0 EGABRO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000096441728 454350775 /nfs/dbraw/zinc/35/07/75/454350775.db2.gz CTDZZXLQJBZHCI-UXHICEINSA-N 1 0 338.451 3.134 40 0 EGABRO O=C(c1ccoc1)N1CCC([NH2+]CCc2cc3ccccc3[nH]2)CC1 ZINC000096489072 454368646 /nfs/dbraw/zinc/36/86/46/454368646.db2.gz JBGFCPNGODPTDP-UHFFFAOYSA-N 1 0 337.423 3.198 40 0 EGABRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000096491678 454368811 /nfs/dbraw/zinc/36/88/11/454368811.db2.gz IDJKISDLUCAMFQ-RLCCDNCMSA-N 1 0 331.428 3.014 40 0 EGABRO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000097233875 454429055 /nfs/dbraw/zinc/42/90/55/454429055.db2.gz SEQQJUWCRNUFSG-SCLBCKFNSA-N 1 0 348.878 3.096 40 0 EGABRO Cc1ccc(CN(C(=O)C(=O)Nc2ccc(C)nc2C)C(C)C)s1 ZINC000121438668 454435688 /nfs/dbraw/zinc/43/56/88/454435688.db2.gz LOOPOHHHYCXJGX-UHFFFAOYSA-N 1 0 345.468 3.444 40 0 EGABRO FC(F)(F)c1ccc(N2CCC([NH2+]Cc3cncs3)CC2)nc1 ZINC000135882856 454707147 /nfs/dbraw/zinc/70/71/47/454707147.db2.gz KFRJHVYYJBQXHL-UHFFFAOYSA-N 1 0 342.390 3.316 40 0 EGABRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000109052505 454820354 /nfs/dbraw/zinc/82/03/54/454820354.db2.gz VOIHWIQUQPEJFC-INIZCTEOSA-N 1 0 329.469 3.225 40 0 EGABRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2nccs2)[C@H]1c1cccs1 ZINC000110633418 454850342 /nfs/dbraw/zinc/85/03/42/454850342.db2.gz AKUGBXNTCMXDRE-YPMHNXCESA-N 1 0 336.486 3.409 40 0 EGABRO Cc1occc1CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179205616 455019807 /nfs/dbraw/zinc/01/98/07/455019807.db2.gz KASYQRUZOWDAJO-QZTJIDSGSA-N 1 0 327.428 3.175 40 0 EGABRO CC(C)(C)c1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)nn1 ZINC000156249884 455097172 /nfs/dbraw/zinc/09/71/72/455097172.db2.gz FQBDRUTVKDZRKJ-OAHLLOKOSA-N 1 0 345.491 3.114 40 0 EGABRO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000191081151 455437923 /nfs/dbraw/zinc/43/79/23/455437923.db2.gz OJFXPUIDTXKHOV-UHFFFAOYSA-N 1 0 329.362 3.395 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)o1 ZINC000248117133 455681556 /nfs/dbraw/zinc/68/15/56/455681556.db2.gz STWOGAGBXPFSIH-ICSRJNTNSA-N 1 0 342.439 3.433 40 0 EGABRO c1ccc2c(c1)NCCC[C@H]2[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 ZINC000193063766 455740581 /nfs/dbraw/zinc/74/05/81/455740581.db2.gz MIFREKNKZCZACN-VQIMIIECSA-N 1 0 339.439 3.286 40 0 EGABRO Cc1cccnc1[C@H]1CCC[C@@]2(C1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000252498345 455814277 /nfs/dbraw/zinc/81/42/77/455814277.db2.gz QZFHGTFQYWCUMX-VBKZILBWSA-N 1 0 346.438 3.300 40 0 EGABRO CCn1cc(CC[NH+]2CCC(n3c(C)nc4ccccc43)CC2)cn1 ZINC000253416860 455842401 /nfs/dbraw/zinc/84/24/01/455842401.db2.gz DZSDJGFVXWTGAS-UHFFFAOYSA-N 1 0 337.471 3.441 40 0 EGABRO Cc1nnc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000253418488 455842774 /nfs/dbraw/zinc/84/27/74/455842774.db2.gz QYXBSRYVHXQKCR-WMLDXEAASA-N 1 0 330.501 3.331 40 0 EGABRO Cc1cc(NC(=O)C2CCN(c3cc[nH+]c4ccccc43)CC2)no1 ZINC000253420101 455843301 /nfs/dbraw/zinc/84/33/01/455843301.db2.gz YBKFTMPVCZQHSS-UHFFFAOYSA-N 1 0 336.395 3.386 40 0 EGABRO C[C@H](c1ccccc1)[NH+]1CCC(N2C(=O)N3CCC[C@]3(C)C2=O)CC1 ZINC000253630254 455855949 /nfs/dbraw/zinc/85/59/49/455855949.db2.gz QPJUITBSPGLSNS-FOIQADDNSA-N 1 0 341.455 3.029 40 0 EGABRO COc1cc(CN2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)ccc1F ZINC000257302896 455886827 /nfs/dbraw/zinc/88/68/27/455886827.db2.gz SEWNADWCSYLPEY-QGZVFWFLSA-N 1 0 344.434 3.023 40 0 EGABRO Cc1nn(C)c2nc([C@@]3(C)CCC[N@H+](Cc4cncs4)C3)ccc12 ZINC000257307048 455888093 /nfs/dbraw/zinc/88/80/93/455888093.db2.gz SWZSVRGHOTZCFC-SFHVURJKSA-N 1 0 341.484 3.287 40 0 EGABRO Cc1cc(-c2ncc[nH]2)nc(C2CC[NH+](Cc3cncs3)CC2)n1 ZINC000257324862 455892112 /nfs/dbraw/zinc/89/21/12/455892112.db2.gz WQMRRWGIQLSMDI-UHFFFAOYSA-N 1 0 340.456 3.011 40 0 EGABRO CC(=O)N1CCN(c2cc[nH+]cc2)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257342882 455895850 /nfs/dbraw/zinc/89/58/50/455895850.db2.gz ZQMJFHYOLAQVGE-FQEVSTJZSA-N 1 0 339.439 3.279 40 0 EGABRO CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3n[nH]cc3C)C2)cc1CO ZINC000257344148 455896689 /nfs/dbraw/zinc/89/66/89/455896689.db2.gz ZVYSEETZSBUUNZ-MRXNPFEDSA-N 1 0 343.471 3.064 40 0 EGABRO FC(F)(F)CC[NH+]1CCC(Nc2cccc3c2OCCO3)CC1 ZINC000195556471 455985064 /nfs/dbraw/zinc/98/50/64/455985064.db2.gz HTJJPPAERMBHDM-UHFFFAOYSA-N 1 0 330.350 3.287 40 0 EGABRO FC(F)(F)CCN1CCC([NH2+][C@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000195556440 455985445 /nfs/dbraw/zinc/98/54/45/455985445.db2.gz PHYIJFVUNLUUES-HOTGVXAUSA-N 1 0 344.425 3.373 40 0 EGABRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cn3cccc(C)c3n2)cc1 ZINC000195557670 455985576 /nfs/dbraw/zinc/98/55/76/455985576.db2.gz MKPGCMMGZRJTOV-OAHLLOKOSA-N 1 0 336.439 3.494 40 0 EGABRO CC(=O)c1csc(C(=O)Nc2ccc3c(c2)N(C)CC[N@H+](C)C3)c1 ZINC000195579310 455988878 /nfs/dbraw/zinc/98/88/78/455988878.db2.gz BPQQNLJXMXNCQL-UHFFFAOYSA-N 1 0 343.452 3.085 40 0 EGABRO Cc1cc(-n2cc(C(=O)OCc3ccccc3)nn2)c2ccccc2n1 ZINC000218790460 456035355 /nfs/dbraw/zinc/03/53/55/456035355.db2.gz BIKSDKUHPQKREA-UHFFFAOYSA-N 1 0 344.374 3.481 40 0 EGABRO Fc1ccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000225216206 456075601 /nfs/dbraw/zinc/07/56/01/456075601.db2.gz SXVLHAKBSGAQRC-UHFFFAOYSA-N 1 0 339.505 3.036 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC)nc1 ZINC000225585174 456094410 /nfs/dbraw/zinc/09/44/10/456094410.db2.gz NTQGLAJULMFWNT-HNNXBMFYSA-N 1 0 336.505 3.031 40 0 EGABRO COc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccnc1N(C)C ZINC000225581057 456094582 /nfs/dbraw/zinc/09/45/82/456094582.db2.gz HVZQAKWQARMNOQ-KRWDZBQOSA-N 1 0 327.428 3.160 40 0 EGABRO Cc1csc(C(=O)N2CC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000225684266 456102824 /nfs/dbraw/zinc/10/28/24/456102824.db2.gz VGAOMGSHQYGNHM-QGZVFWFLSA-N 1 0 326.465 3.329 40 0 EGABRO Cc1ncsc1CN1Cc2ccnn2[C@H](CC[NH+]2CCCCC2)C1 ZINC000306141173 456566855 /nfs/dbraw/zinc/56/68/55/456566855.db2.gz VNBIXOOMTPPQLL-QGZVFWFLSA-N 1 0 345.516 3.081 40 0 EGABRO Cc1cccn2cc(CNC(=O)c3ccn(C4CCCCC4)n3)nc12 ZINC000329930959 456962379 /nfs/dbraw/zinc/96/23/79/456962379.db2.gz HZZJVSHGKNWFNS-UHFFFAOYSA-N 1 0 337.427 3.274 40 0 EGABRO Cc1ccccc1C[NH+]1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000585104637 459823815 /nfs/dbraw/zinc/82/38/15/459823815.db2.gz JZWKOGUYEMXPFR-IBGZPJMESA-N 1 0 347.524 3.498 40 0 EGABRO Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+]3C[C@@H]3CCCO3)C2)c(C)c1 ZINC000585102045 459823890 /nfs/dbraw/zinc/82/38/90/459823890.db2.gz OPLGIKQLYLIBCZ-GHTZIAJQSA-N 1 0 342.483 3.163 40 0 EGABRO CN(C)c1ccc(C(=O)N2CCC[C@]3(CC[N@@H+]3C)C2)c2ccccc21 ZINC000585102109 459824294 /nfs/dbraw/zinc/82/42/94/459824294.db2.gz RVXCPJPGDBJLLL-NRFANRHFSA-N 1 0 337.467 3.216 40 0 EGABRO COCC[N@@H+]1CC[C@]12CCCN(C(=O)c1cc(C(C)(C)C)oc1C)C2 ZINC000585101878 459824333 /nfs/dbraw/zinc/82/43/33/459824333.db2.gz JYWDFSANAMAFSB-FQEVSTJZSA-N 1 0 348.487 3.212 40 0 EGABRO Cc1cc(C)cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccnc4)C[C@@H]32)c1 ZINC000585107637 459825583 /nfs/dbraw/zinc/82/55/83/459825583.db2.gz BVOBNCZWKLZVHS-ICSRJNTNSA-N 1 0 335.451 3.045 40 0 EGABRO COc1ccccc1C[NH2+][C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O ZINC000585288805 459833514 /nfs/dbraw/zinc/83/35/14/459833514.db2.gz JMPBKKOZHZTFRE-IOMROCGXSA-N 1 0 341.451 3.454 40 0 EGABRO CC(C)c1cc(C[NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)on1 ZINC000585288554 459833630 /nfs/dbraw/zinc/83/36/30/459833630.db2.gz DOCMDGMKYPORPW-QXAKKESOSA-N 1 0 330.428 3.249 40 0 EGABRO COc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000026781136 1291279948 /nfs/dbraw/zinc/27/99/48/1291279948.db2.gz SGTHNUUVQVXDIQ-HZPDHXFCSA-N 1 0 335.488 3.464 40 0 EGABRO CCc1ccc(O[C@@H](C)C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000027741535 1291294087 /nfs/dbraw/zinc/29/40/87/1291294087.db2.gz YHXYXPAVRJPJFR-INIZCTEOSA-N 1 0 332.488 3.397 40 0 EGABRO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc3ccccc3o2)ncn1 ZINC000109070009 1293087084 /nfs/dbraw/zinc/08/70/84/1293087084.db2.gz GOZPNTQJXAEKTE-HNNXBMFYSA-N 1 0 337.427 3.023 40 0 EGABRO C[C@H](C(=O)n1c2ccccc2c2ccccc21)[NH+]1CCC(C(N)=O)CC1 ZINC000054670902 214249551 /nfs/dbraw/zinc/24/95/51/214249551.db2.gz ZBVQNZFQJWBOST-CQSZACIVSA-N 1 0 349.434 3.021 40 0 EGABRO Cc1ncsc1C[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC000096209003 282233007 /nfs/dbraw/zinc/23/30/07/282233007.db2.gz XDAKSFKSOWKRNR-INIZCTEOSA-N 1 0 345.468 3.049 40 0 EGABRO COc1ccc(CCC(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000004027896 210103020 /nfs/dbraw/zinc/10/30/20/210103020.db2.gz KPGBJVACMGXSOF-PKOBYXMFSA-N 1 0 331.456 3.436 40 0 biogenic EGABRO Cc1nc(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cs1 ZINC000068194280 215288729 /nfs/dbraw/zinc/28/87/29/215288729.db2.gz XUTIIUGHSMCPLT-UHFFFAOYSA-N 1 0 335.517 3.299 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cc1 ZINC000072355484 216164983 /nfs/dbraw/zinc/16/49/83/216164983.db2.gz LBYPOKLLRUJHCZ-QGZVFWFLSA-N 1 0 349.438 3.051 40 0 EGABRO Cc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072350541 216162128 /nfs/dbraw/zinc/16/21/28/216162128.db2.gz JWYDSVYREGKLJU-LJQANCHMSA-N 1 0 347.466 3.393 40 0 EGABRO c1cn(-c2cncc(C3CC[NH+](CCc4ccccc4)CC3)n2)cn1 ZINC000072355495 216164265 /nfs/dbraw/zinc/16/42/65/216164265.db2.gz QCOIBEVEHNCCLQ-UHFFFAOYSA-N 1 0 333.439 3.084 40 0 EGABRO CC(C)(C)C[N@@H+]1CCC[C@@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000072361895 216169203 /nfs/dbraw/zinc/16/92/03/216169203.db2.gz YKEJVWOGJKNQLL-CQSZACIVSA-N 1 0 326.448 3.236 40 0 EGABRO c1cncc(Oc2cncc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072383630 216183696 /nfs/dbraw/zinc/18/36/96/216183696.db2.gz KHJXCLYFKJYSGK-QGZVFWFLSA-N 1 0 347.422 3.439 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000072390049 216190748 /nfs/dbraw/zinc/19/07/48/216190748.db2.gz YKWIDEYIIXEEHZ-INIZCTEOSA-N 1 0 335.411 3.215 40 0 EGABRO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000073368805 216381329 /nfs/dbraw/zinc/38/13/29/216381329.db2.gz KKFLYCQTSJXWSB-VQTJNVASSA-N 1 0 341.451 3.410 40 0 EGABRO Cc1cccc(CC(=O)NCC2CC[NH+](Cc3ccco3)CC2)c1 ZINC000023128029 212352673 /nfs/dbraw/zinc/35/26/73/212352673.db2.gz JDDJLNOZODYIAT-UHFFFAOYSA-N 1 0 326.440 3.159 40 0 EGABRO O=C(CCN1CC[NH+](Cc2cccs2)CC1)Nc1cccc(F)c1 ZINC000022932869 212336082 /nfs/dbraw/zinc/33/60/82/212336082.db2.gz VKHJATRBAPNHIY-UHFFFAOYSA-N 1 0 347.459 3.034 40 0 EGABRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccnc1 ZINC000022284925 212287346 /nfs/dbraw/zinc/28/73/46/212287346.db2.gz VXEOGRCQYPARMF-UHFFFAOYSA-N 1 0 337.427 3.025 40 0 EGABRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000195542478 240995665 /nfs/dbraw/zinc/99/56/65/240995665.db2.gz KLEVRZSIYHMWCN-HKUYNNGSSA-N 1 0 340.492 3.197 40 0 EGABRO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1cc2ccccc2o1 ZINC000225568236 241931510 /nfs/dbraw/zinc/93/15/10/241931510.db2.gz MKRCOVHMVOYWAQ-MRXNPFEDSA-N 1 0 344.480 3.380 40 0 EGABRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(N2CCOC2=O)c1 ZINC000248739316 243613299 /nfs/dbraw/zinc/61/32/99/243613299.db2.gz QRCLSPFEMOGUDA-VIBAHUMZSA-N 1 0 342.439 3.251 40 0 EGABRO CC(C)OCCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020484261 212136576 /nfs/dbraw/zinc/13/65/76/212136576.db2.gz VCALRWIEWPJMFT-UHFFFAOYSA-N 1 0 332.488 3.463 40 0 EGABRO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](Cc3cccc(C)n3)C2)n1 ZINC000257232158 244218039 /nfs/dbraw/zinc/21/80/39/244218039.db2.gz GJRDSGRKWVKWQI-INIZCTEOSA-N 1 0 348.454 3.258 40 0 EGABRO Cc1nc(C[N@@H+]2CCC3(CC(Nc4cc(C)ncn4)C3)C2)cs1 ZINC000257235424 244227684 /nfs/dbraw/zinc/22/76/84/244227684.db2.gz GXULXXWCLCVXPX-UHFFFAOYSA-N 1 0 329.473 3.017 40 0 EGABRO CC1CC[NH+](CCCNC(=O)CSCc2ccc(F)cc2)CC1 ZINC000020046119 212097615 /nfs/dbraw/zinc/09/76/15/212097615.db2.gz SHGKTFCVWAAFDZ-UHFFFAOYSA-N 1 0 338.492 3.297 40 0 EGABRO CCn1cc(NC(=O)CC2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000019748892 212062269 /nfs/dbraw/zinc/06/22/69/212062269.db2.gz DXGRPKWPDBBDAY-UHFFFAOYSA-N 1 0 340.471 3.186 40 0 EGABRO CN(CC[NH+]1CCCCC1)C(=O)CCc1cn(C)c2ccccc12 ZINC000019657517 212053919 /nfs/dbraw/zinc/05/39/19/212053919.db2.gz GRPMNKNGJPSHQT-UHFFFAOYSA-N 1 0 327.472 3.055 40 0 EGABRO C[NH+](C)C1CCC2(CC1)CN(Cc1c[nH]cn1)Cc1ccccc1O2 ZINC000019583950 212047021 /nfs/dbraw/zinc/04/70/21/212047021.db2.gz TUWWHFXYWJDMIH-UHFFFAOYSA-N 1 0 340.471 3.047 40 0 EGABRO COCCC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2C ZINC000019590806 212049546 /nfs/dbraw/zinc/04/95/46/212049546.db2.gz JKZVESMIEYOMEB-NSHGMRRFSA-N 1 0 348.462 3.031 40 0 EGABRO Cc1nc([C@H](Cc2ccsc2)NC(=O)[C@@H]2CCC[NH2+]C2)sc1C ZINC000019559695 212042801 /nfs/dbraw/zinc/04/28/01/212042801.db2.gz PPBZBMORXNPQHN-CABCVRRESA-N 1 0 349.525 3.221 40 0 EGABRO CCc1noc(C)c1C(=O)N1CCC(c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000019521193 212036736 /nfs/dbraw/zinc/03/67/36/212036736.db2.gz AQUHFXKJDJCDSX-UHFFFAOYSA-N 1 0 338.411 3.442 40 0 EGABRO C[C@H]1Cc2cc(C(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)ccc2O1 ZINC000019497946 212032563 /nfs/dbraw/zinc/03/25/63/212032563.db2.gz DXBQMFKXZZKHGX-QFBILLFUSA-N 1 0 342.483 3.491 40 0 EGABRO COc1ccc(OC)c(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000019359010 212021677 /nfs/dbraw/zinc/02/16/77/212021677.db2.gz AJFSFBSOIUMROK-FCEWJHQRSA-N 1 0 330.472 3.010 40 0 EGABRO Fc1ccc(C[N@@H+]2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)cc1 ZINC000019341538 212017576 /nfs/dbraw/zinc/01/75/76/212017576.db2.gz MAOMNKCOIMXONA-AEFFLSMTSA-N 1 0 349.413 3.099 40 0 EGABRO COc1cccc(CN2Cc3cc(C)ccc3OC[C@H]2C[NH+](C)C)c1 ZINC000019219391 212005184 /nfs/dbraw/zinc/00/51/84/212005184.db2.gz AUVQCUPORIJMMK-LJQANCHMSA-N 1 0 340.467 3.328 40 0 EGABRO CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000078605014 217085825 /nfs/dbraw/zinc/08/58/25/217085825.db2.gz ZWPGBFKUCMTQRZ-LBPRGKRZSA-N 1 0 326.510 3.141 40 0 EGABRO CCC(C)(C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000079096441 217192185 /nfs/dbraw/zinc/19/21/85/217192185.db2.gz BOEQVNFNWBFIQE-MRXNPFEDSA-N 1 0 332.488 3.439 40 0 EGABRO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000079438492 217225164 /nfs/dbraw/zinc/22/51/64/217225164.db2.gz PMRWGBFRGXOQDE-CHWSQXEVSA-N 1 0 325.478 3.441 40 0 EGABRO COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 ZINC000012366521 211357789 /nfs/dbraw/zinc/35/77/89/211357789.db2.gz SUOFDUXJBUCTDY-FUHWJXTLSA-N 1 0 328.412 3.271 40 0 EGABRO C[C@@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2cnccn2)cc1 ZINC000012182113 211312256 /nfs/dbraw/zinc/31/22/56/211312256.db2.gz AXTHRHCEIFJGDH-WBVHZDCISA-N 1 0 338.455 3.249 40 0 EGABRO COc1cccc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)c1 ZINC000012119074 211297860 /nfs/dbraw/zinc/29/78/60/211297860.db2.gz DSXOOJYJJMZINR-MRXNPFEDSA-N 1 0 338.407 3.440 40 0 EGABRO O=C(Cc1c[nH]c2ccccc12)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000009646979 211110981 /nfs/dbraw/zinc/11/09/81/211110981.db2.gz YXLHYXCCFQIGLT-GOSISDBHSA-N 1 0 337.423 3.257 40 0 EGABRO CC1CC[NH+](CC(=O)N[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000095416898 218356144 /nfs/dbraw/zinc/35/61/44/218356144.db2.gz OLEHPMNZOYEPPW-HXUWFJFHSA-N 1 0 341.430 3.158 40 0 EGABRO Cc1cc(NC(=O)C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)no1 ZINC000096489544 218866764 /nfs/dbraw/zinc/86/67/64/218866764.db2.gz FNGWITUWFOAUBO-UHFFFAOYSA-N 1 0 346.456 3.168 40 0 EGABRO CCOc1cc(-c2nnc([C@@H]([NH3+])Cc3ccccc3)[nH]2)ccc1OC ZINC000095534935 257700349 /nfs/dbraw/zinc/70/03/49/257700349.db2.gz RTSQATQZVLWKPK-HNNXBMFYSA-N 1 0 338.411 3.122 40 0 EGABRO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](CCC(C)(C)C)CC[C@@]1(C)O ZINC000514289553 257845442 /nfs/dbraw/zinc/84/54/42/257845442.db2.gz KXYFSSUXUKHFME-CMKODMSKSA-N 1 0 332.488 3.125 40 0 biogenic,in-vitro EGABRO CC(C)[NH+]1CCC2(CC1)CN(C(=O)N1CCCC1)Cc1ccccc12 ZINC000096242421 275941707 /nfs/dbraw/zinc/94/17/07/275941707.db2.gz IBCRMVLJXTYSPF-UHFFFAOYSA-N 1 0 341.499 3.460 40 0 EGABRO CC(=O)OC[C@@]12CO[C@@H](C[NH+]3CCCCC3)[C@@H](C(C)=C[C@H]1C)[C@@H]2C ZINC000005527927 277093486 /nfs/dbraw/zinc/09/34/86/277093486.db2.gz DMZHTDDKCJBBRN-XIHRTOKZSA-N 1 0 335.488 3.269 40 0 biogenic EGABRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000225463706 279439308 /nfs/dbraw/zinc/43/93/08/279439308.db2.gz YNHLVYJCDLCJSA-MGPQQGTHSA-N 1 0 328.382 3.156 40 0 EGABRO Cc1c2ccccc2oc1[C@H]([NH2+]CC(=O)NC1CCOCC1)C(C)C ZINC000183270999 280274734 /nfs/dbraw/zinc/27/47/34/280274734.db2.gz VVJGBPJZQGNLKV-LJQANCHMSA-N 1 0 344.455 3.323 40 0 EGABRO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000090699814 289218657 /nfs/dbraw/zinc/21/86/57/289218657.db2.gz HJRXQJMMYHHZDK-KRWDZBQOSA-N 1 0 334.529 3.493 40 0 EGABRO CNC(=O)C[C@@H]1CC2(CC[NH+](CC(C)C)CC2)c2cc(F)ccc21 ZINC000096241816 290449111 /nfs/dbraw/zinc/44/91/11/290449111.db2.gz HZMPGIKOTJJAHO-OAHLLOKOSA-N 1 0 332.463 3.439 40 0 EGABRO COc1ccc2c(c1OC)[C@]1(CC[NH+](C)C)C[C@@H](O)CC[C@@H]1C=C2 ZINC000005120738 295277948 /nfs/dbraw/zinc/27/79/48/295277948.db2.gz DZSOVMFSBOCQJV-TWOQFEAHSA-N 1 0 331.456 3.081 40 0 EGABRO CC[NH+](CC)[C@H]1CCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000127328449 307583371 /nfs/dbraw/zinc/58/33/71/307583371.db2.gz NLNHYVMZYIJGBR-IBGZPJMESA-N 1 0 326.488 3.405 40 0 EGABRO Cc1ccsc1[C@H](CO)[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414370631 309075987 /nfs/dbraw/zinc/07/59/87/309075987.db2.gz VNMJONPXOXLWKO-NSHDSACASA-N 1 0 327.352 3.201 40 0 EGABRO Cc1csc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1Cl ZINC000333345255 308857473 /nfs/dbraw/zinc/85/74/73/308857473.db2.gz ZBIYTUUNBDPSNT-CHWSQXEVSA-N 1 0 342.892 3.068 40 0 EGABRO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000418137111 309237164 /nfs/dbraw/zinc/23/71/64/309237164.db2.gz DCQBXYWAJRIZOC-QGZVFWFLSA-N 1 0 328.460 3.385 40 0 EGABRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000090723577 323214782 /nfs/dbraw/zinc/21/47/82/323214782.db2.gz DRGLEBUWCZBKTR-CBGDNZLLSA-N 1 0 346.515 3.201 40 0 EGABRO CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000097234134 323215109 /nfs/dbraw/zinc/21/51/09/323215109.db2.gz ZCFQICOEVXRMDF-INIZCTEOSA-N 1 0 342.487 3.136 40 0 EGABRO COc1ccc([C@@H](C)[NH2+]C2CCN(c3nccs3)CC2)c(OC)c1 ZINC000097237313 323215650 /nfs/dbraw/zinc/21/56/50/323215650.db2.gz MNFUECLMDHNMQU-CYBMUJFWSA-N 1 0 347.484 3.480 40 0 EGABRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cccc(-n2ccnc2)c1 ZINC000189887748 455250286 /nfs/dbraw/zinc/25/02/86/455250286.db2.gz XLLVUXSRFSSZFK-AUUYWEPGSA-N 1 0 325.387 3.396 40 0 EGABRO Cc1csc2c1ncnc2NC1CC[NH+](Cc2ccccn2)CC1 ZINC000189974429 455263908 /nfs/dbraw/zinc/26/39/08/455263908.db2.gz OXPSQYAHSIZROR-UHFFFAOYSA-N 1 0 339.468 3.471 40 0 EGABRO CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1c(C)cccc1C ZINC000000307230 452558512 /nfs/dbraw/zinc/55/85/12/452558512.db2.gz SNKAXSROYUIKNW-QGZVFWFLSA-N 1 0 339.459 3.085 40 0 EGABRO COc1ccc([N+]2=C3CCCCN3[C@](O)(c3cccs3)C2)cc1 ZINC000000425740 452587235 /nfs/dbraw/zinc/58/72/35/452587235.db2.gz VKFKZRCKEDBPBH-GOSISDBHSA-N 1 0 329.445 3.017 40 0 EGABRO C[NH+](C)CCCN1C[C@@H](COc2ccccc2)O[C@H]1c1ccccc1 ZINC000002090380 452685433 /nfs/dbraw/zinc/68/54/33/452685433.db2.gz MUPODHJCHSNYDG-SFTDATJTSA-N 1 0 340.467 3.417 40 0 biogenic EGABRO O=C(c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000002765110 452720119 /nfs/dbraw/zinc/72/01/19/452720119.db2.gz NUPOXGUGXABKNY-UXLLHSPISA-N 1 0 330.859 3.310 40 0 EGABRO CCOc1ccc(Br)c([C@@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000004339499 452799115 /nfs/dbraw/zinc/79/91/15/452799115.db2.gz KTZNNKANCYRNTA-HWWQOWPSSA-N 1 0 342.277 3.396 40 0 EGABRO CC(C)c1nc2sc3c(c2c(N2CC[NH2+]CC2)n1)CC[C@@H](C)C3 ZINC000004910646 452825544 /nfs/dbraw/zinc/82/55/44/452825544.db2.gz WCROKSLWGACBNC-GFCCVEGCSA-N 1 0 330.501 3.349 40 0 EGABRO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]CCCOC(C)C ZINC000006549077 452951752 /nfs/dbraw/zinc/95/17/52/452951752.db2.gz AFVPHEOMHPZSEE-SFHVURJKSA-N 1 0 337.504 3.437 40 0 EGABRO CCn1cncc1C[N@@H+]1C[C@@H]2CCC[C@@](O)(c3ccc(C)cc3)[C@@H]2C1 ZINC000012221323 453348796 /nfs/dbraw/zinc/34/87/96/453348796.db2.gz NXAYDVCQUNHBFR-IOMROCGXSA-N 1 0 339.483 3.331 40 0 EGABRO C[NH+]1CCN(c2ncc(-c3ccncc3)c(-c3cccs3)n2)CC1 ZINC000012222479 453349681 /nfs/dbraw/zinc/34/96/81/453349681.db2.gz WJAIZZAJDHPTOL-UHFFFAOYSA-N 1 0 337.452 3.019 40 0 EGABRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCc2ccccc21 ZINC000013002411 453436036 /nfs/dbraw/zinc/43/60/36/453436036.db2.gz BEYLGMVMKIKXMS-TZIWHRDSSA-N 1 0 334.463 3.497 40 0 EGABRO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3C3CCCCC3)n2)c1 ZINC000015674373 453581833 /nfs/dbraw/zinc/58/18/33/453581833.db2.gz VOHCTFQRJSVQBT-SJORKVTESA-N 1 0 327.428 3.485 40 0 biogenic,in-vitro EGABRO COc1cc(C)c(C[NH2+]Cc2cccc(-c3nc[nH]n3)c2)cc1OC ZINC000083468910 453949002 /nfs/dbraw/zinc/94/90/02/453949002.db2.gz NDQSKODZHNGRKR-UHFFFAOYSA-N 1 0 338.411 3.087 40 0 EGABRO COc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)cc1OC ZINC000083469845 453949207 /nfs/dbraw/zinc/94/92/07/453949207.db2.gz BTAOLLNZMUKASE-NVXWUHKLSA-N 1 0 348.487 3.185 40 0 EGABRO OCC1CC[NH+](Cc2cccc(NCc3cccc(O)c3)c2)CC1 ZINC000086258196 454046245 /nfs/dbraw/zinc/04/62/45/454046245.db2.gz STRPDXPTHIZVFP-UHFFFAOYSA-N 1 0 326.440 3.209 40 0 EGABRO Cc1noc(C)c1C[N@H+](C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000077251027 454081998 /nfs/dbraw/zinc/08/19/98/454081998.db2.gz RLZRWJHIBJDCJU-UHFFFAOYSA-N 1 0 342.395 3.217 40 0 EGABRO C[C@@H]1Cc2cc(CN(CCC[NH+](C)C)Cc3ccccn3)ccc2O1 ZINC000057797231 454147353 /nfs/dbraw/zinc/14/73/53/454147353.db2.gz POZBVTMXHVSVJV-QGZVFWFLSA-N 1 0 339.483 3.359 40 0 EGABRO FC(F)(F)CN1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccncc2)C1 ZINC000095420999 454208303 /nfs/dbraw/zinc/20/83/03/454208303.db2.gz KFUKSQNHQYUDPH-DLBZAZTESA-N 1 0 335.373 3.397 40 0 EGABRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096037058 454265500 /nfs/dbraw/zinc/26/55/00/454265500.db2.gz XHWJYWBXIRFLJR-UHFFFAOYSA-N 1 0 344.528 3.388 40 0 EGABRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@H+](Cc1ccsc1)C2 ZINC000096048653 454271406 /nfs/dbraw/zinc/27/14/06/454271406.db2.gz LUBVFVJPRNIBIE-LJQANCHMSA-N 1 0 341.480 3.158 40 0 EGABRO O=C1COC2(CC[NH+](Cc3cccs3)CC2)CN1c1ccsc1 ZINC000096049245 454271606 /nfs/dbraw/zinc/27/16/06/454271606.db2.gz SFORNTKKNPJJBJ-UHFFFAOYSA-N 1 0 348.493 3.208 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)co1 ZINC000096065149 454278099 /nfs/dbraw/zinc/27/80/99/454278099.db2.gz QUVPMDXGNAYNCP-VQTJNVASSA-N 1 0 342.439 3.263 40 0 EGABRO C(OC[C@@H]1C[N@H+](CC2CCCC2)Cc2nnn(CC3CC3)c21)C1CC1 ZINC000096068863 454278852 /nfs/dbraw/zinc/27/88/52/454278852.db2.gz HLTOJDMNMXDCKU-SFHVURJKSA-N 1 0 344.503 3.204 40 0 EGABRO Fc1cccc(C[N@@H+]2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)c1 ZINC000096065432 454279052 /nfs/dbraw/zinc/27/90/52/454279052.db2.gz BIMSDTNGIAPDFM-AABGKKOBSA-N 1 0 342.414 3.169 40 0 EGABRO c1csc(C[N@H+]2CCC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)c1 ZINC000096107505 454284450 /nfs/dbraw/zinc/28/44/50/454284450.db2.gz SSKWFHOGUFVRTO-HKUYNNGSSA-N 1 0 344.480 3.483 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3cc(C)on3)CC[C@H]2OC)cc1 ZINC000096110263 454285512 /nfs/dbraw/zinc/28/55/12/454285512.db2.gz GCFWIEKOSZVOQK-QFBILLFUSA-N 1 0 330.428 3.071 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3cccc(C)n3)CC[C@H]2OC)cc1 ZINC000096110238 454285936 /nfs/dbraw/zinc/28/59/36/454285936.db2.gz RRCZPNKVNWQKCT-GHTZIAJQSA-N 1 0 340.467 3.478 40 0 EGABRO c1csc(C[N@H+]2CC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)c1 ZINC000096107765 454286195 /nfs/dbraw/zinc/28/61/95/454286195.db2.gz KPSMSQWVYZXXFR-AEFFLSMTSA-N 1 0 330.453 3.093 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CCN(Cc4nccn4C)C3)CC2)cc1 ZINC000096157618 454294237 /nfs/dbraw/zinc/29/42/37/454294237.db2.gz SMUIYENUZDDFIU-UHFFFAOYSA-N 1 0 338.499 3.217 40 0 EGABRO c1cc(C[N@H+]2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)cs1 ZINC000096187156 454299816 /nfs/dbraw/zinc/29/98/16/454299816.db2.gz TXAYMJCDUNMVAZ-SQNIBIBYSA-N 1 0 330.453 3.092 40 0 EGABRO Cc1nc(C[N@H+]2C[C@H](C)[C@]3(CCN(c4ccsc4)C3=O)C2)cs1 ZINC000096201770 454302742 /nfs/dbraw/zinc/30/27/42/454302742.db2.gz KKTOLUUJXVZXOT-SJCJKPOMSA-N 1 0 347.509 3.388 40 0 EGABRO Cc1ncsc1CN1CCC2(CC[C@H](COCC3CC3)[N@H+]2C)CC1 ZINC000096208238 454304012 /nfs/dbraw/zinc/30/40/12/454304012.db2.gz GWNQZFVECXOLSM-QGZVFWFLSA-N 1 0 349.544 3.307 40 0 EGABRO COC[C@@H]1CCC2(CCN(C(=O)c3cccs3)CC2)[N@@H+]1CC1CC1 ZINC000096207863 454304535 /nfs/dbraw/zinc/30/45/35/454304535.db2.gz XWZPGPWVDSTKDO-INIZCTEOSA-N 1 0 348.512 3.244 40 0 EGABRO O=C(CC1CC1)N[C@@H]1COCCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096217231 454307499 /nfs/dbraw/zinc/30/74/99/454307499.db2.gz ICXLVGIEARGCLV-QGZVFWFLSA-N 1 0 348.512 3.036 40 0 EGABRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(=O)C1CCC1)CC2 ZINC000096221043 454309530 /nfs/dbraw/zinc/30/95/30/454309530.db2.gz ZNMUEVLUIAULHM-LJQANCHMSA-N 1 0 342.483 3.069 40 0 EGABRO CC(C)NC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096241267 454311417 /nfs/dbraw/zinc/31/14/17/454311417.db2.gz FEEGXCIVAJOQOH-RDJZCZTQSA-N 1 0 339.480 3.102 40 0 EGABRO Cc1nnc(CN2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)o1 ZINC000096461366 454359469 /nfs/dbraw/zinc/35/94/69/454359469.db2.gz YUXNQZWFHXREBK-UHFFFAOYSA-N 1 0 340.471 3.399 40 0 EGABRO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1)NCc1cccnc1 ZINC000096481046 454364225 /nfs/dbraw/zinc/36/42/25/454364225.db2.gz UDWPDENOQWXMBO-PZJWPPBQSA-N 1 0 335.451 3.099 40 0 EGABRO C[C@@H](CC[NH2+][C@H]1CCCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000096491681 454368546 /nfs/dbraw/zinc/36/85/46/454368546.db2.gz ISVPSVXLECNTKR-WFASDCNBSA-N 1 0 349.418 3.366 40 0 EGABRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1 ZINC000063527592 454421455 /nfs/dbraw/zinc/42/14/55/454421455.db2.gz QYCOQVRCOHYQEE-OAHLLOKOSA-N 1 0 330.325 3.012 40 0 EGABRO O=C(Nc1ccccc1)N1CC[C@@]2(CCC[N@@H+]2Cc2ccccn2)C1 ZINC000063526936 454422005 /nfs/dbraw/zinc/42/20/05/454422005.db2.gz HHUZFMPKIZFUOH-FQEVSTJZSA-N 1 0 336.439 3.354 40 0 EGABRO CC(C)(C)OC(=O)N1CCC2(C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000091302803 454423306 /nfs/dbraw/zinc/42/33/06/454423306.db2.gz MGDREBKYHGSSGI-QGZVFWFLSA-N 1 0 346.471 3.023 40 0 EGABRO CC(=O)NC1CCC([NH2+][C@H]2CCCN(c3cc(C)ccc3F)C2)CC1 ZINC000097379317 454435493 /nfs/dbraw/zinc/43/54/93/454435493.db2.gz CGKVVTAGTVZSJB-ABHNRTSZSA-N 1 0 347.478 3.140 40 0 EGABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000049169590 454537279 /nfs/dbraw/zinc/53/72/79/454537279.db2.gz ZMHZAVDZXJKSCT-INIZCTEOSA-N 1 0 336.395 3.130 40 0 biogenic,in-vitro EGABRO COc1ccccc1NC1CC[NH+](Cc2nc(C)ccc2O)CC1 ZINC000093817111 454737800 /nfs/dbraw/zinc/73/78/00/454737800.db2.gz ITCNPHLVHSRAOM-UHFFFAOYSA-N 1 0 327.428 3.181 40 0 EGABRO Cc1ccccc1C[NH+]1CCC2(CC(=O)N(Cc3ccncc3)C2)CC1 ZINC000108525206 454801660 /nfs/dbraw/zinc/80/16/60/454801660.db2.gz DJJNUTFMKFCDIE-UHFFFAOYSA-N 1 0 349.478 3.405 40 0 EGABRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000109052507 454820340 /nfs/dbraw/zinc/82/03/40/454820340.db2.gz VOIHWIQUQPEJFC-MRXNPFEDSA-N 1 0 329.469 3.225 40 0 EGABRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC=C(c2ccccc2F)CC1 ZINC000163309561 454838568 /nfs/dbraw/zinc/83/85/68/454838568.db2.gz AXLOYPCUZVXTBD-OAHLLOKOSA-N 1 0 343.446 3.109 40 0 EGABRO COc1cccc2cc([C@H](C)NC(=O)C[N@H+](C)[C@H]3CCSC3)oc21 ZINC000110698179 454851240 /nfs/dbraw/zinc/85/12/40/454851240.db2.gz LXYSXCZQYPDRSW-JSGCOSHPSA-N 1 0 348.468 3.056 40 0 EGABRO Cn1ccnc1[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000180642157 455215936 /nfs/dbraw/zinc/21/59/36/455215936.db2.gz FNSNBNVMNHCBNB-RHSMWYFYSA-N 1 0 332.879 3.094 40 0 EGABRO CC(=O)Nc1ccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000181956777 455404556 /nfs/dbraw/zinc/40/45/56/455404556.db2.gz SJBMPBACTOFJLE-QRWLVFNGSA-N 1 0 338.455 3.363 40 0 EGABRO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)C[C@@H]2CC=CCC2)n1 ZINC000247883222 455652482 /nfs/dbraw/zinc/65/24/82/455652482.db2.gz CPLVJSANCGWLTC-RTBURBONSA-N 1 0 343.471 3.312 40 0 EGABRO CC[NH+](CC)CC[C@H]1Cn2nccc2CN(Cc2ccsc2)C1 ZINC000248252916 455701196 /nfs/dbraw/zinc/70/11/96/455701196.db2.gz MZVHBCYYTYDRDX-MRXNPFEDSA-N 1 0 332.517 3.309 40 0 EGABRO [NH3+]Cc1ccc(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000186476527 455776949 /nfs/dbraw/zinc/77/69/49/455776949.db2.gz JVTSCRZMJUFMNU-HNNXBMFYSA-N 1 0 330.815 3.092 40 0 EGABRO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000252537483 455821884 /nfs/dbraw/zinc/82/18/84/455821884.db2.gz LIWIJINDHCTMOK-HGKCTWBKSA-N 1 0 347.503 3.141 40 0 EGABRO C[C@H](C[S@@](C)=O)[N@H+](C)C1CC(c2ccc(Br)cc2)C1 ZINC000194482742 455848236 /nfs/dbraw/zinc/84/82/36/455848236.db2.gz CJCPVIKUBMXCIW-YTULBECBSA-N 1 0 344.318 3.394 40 0 EGABRO C[C@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2cnccn2)cc1 ZINC000253601460 455854418 /nfs/dbraw/zinc/85/44/18/455854418.db2.gz AXTHRHCEIFJGDH-DOTOQJQBSA-N 1 0 338.455 3.249 40 0 EGABRO C[N@@H+]1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000257207698 455880552 /nfs/dbraw/zinc/88/05/52/455880552.db2.gz BIVLNPXOYPUXFB-HOCLYGCPSA-N 1 0 326.362 3.291 40 0 EGABRO CN(c1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cncs1)CC2 ZINC000257308790 455888004 /nfs/dbraw/zinc/88/80/04/455888004.db2.gz TYCHGVXNPBBHBB-KRWDZBQOSA-N 1 0 343.496 3.403 40 0 EGABRO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2sccc2C)ccn1 ZINC000257344121 455897161 /nfs/dbraw/zinc/89/71/61/455897161.db2.gz ZVULTNHMEKDYID-QGZVFWFLSA-N 1 0 329.469 3.425 40 0 EGABRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc2sccc2c1 ZINC000195542767 455982894 /nfs/dbraw/zinc/98/28/94/455982894.db2.gz HPVFCXBVTJPBTA-UHFFFAOYSA-N 1 0 325.437 3.206 40 0 EGABRO O=c1ccccn1CCCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000195557632 455985074 /nfs/dbraw/zinc/98/50/74/455985074.db2.gz TUMFRDVQNCDFMX-QGZVFWFLSA-N 1 0 330.403 3.271 40 0 EGABRO C[C@@H](Cc1ccc2ccccc2c1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000195570382 455986799 /nfs/dbraw/zinc/98/67/99/455986799.db2.gz ZZVWOFOETLJIQU-WMZOPIPTSA-N 1 0 339.483 3.364 40 0 EGABRO Fc1ccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000225232000 456075114 /nfs/dbraw/zinc/07/51/14/456075114.db2.gz FKDFPFJGIVUWDV-UHFFFAOYSA-N 1 0 344.459 3.172 40 0 EGABRO Fc1ccccc1COC1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000225531237 456090485 /nfs/dbraw/zinc/09/04/85/456090485.db2.gz MRPTWLNNNMBSHF-IBGZPJMESA-N 1 0 337.435 3.350 40 0 EGABRO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1Cl ZINC000225567914 456093516 /nfs/dbraw/zinc/09/35/16/456093516.db2.gz FUTLMFGMNPWHEW-AWEZNQCLSA-N 1 0 338.904 3.287 40 0 EGABRO CCOC(C)(C)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225647649 456101996 /nfs/dbraw/zinc/10/19/96/456101996.db2.gz KXCWZIXPQXUTSV-UHFFFAOYSA-N 1 0 334.460 3.305 40 0 EGABRO CCC(=O)O/C=C/c1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)cc1 ZINC000228980560 456125734 /nfs/dbraw/zinc/12/57/34/456125734.db2.gz DMLYCLXJODDWOK-JLHYYAGUSA-N 1 0 348.443 3.225 40 0 EGABRO Cc1oc2ccccc2c1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000333180837 456174007 /nfs/dbraw/zinc/17/40/07/456174007.db2.gz LSBMFZNCZZWDNG-GOOCMWNKSA-N 1 0 327.428 3.166 40 0 EGABRO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](CC4CC4)C2)OC3)cc1 ZINC000306141224 456567346 /nfs/dbraw/zinc/56/73/46/456567346.db2.gz VOTDOTPACBTNJX-IBGZPJMESA-N 1 0 327.403 3.074 40 0 EGABRO CC(=O)c1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c(F)c1 ZINC000390833306 457446326 /nfs/dbraw/zinc/44/63/26/457446326.db2.gz FVONJMLCFAIMBO-ORAYPTAESA-N 1 0 342.414 3.450 40 0 EGABRO O=C1NCCCN(C/C=C/c2ccc(F)cc2)[C@@H]1Cc1ccccc1 ZINC000556933301 459033734 /nfs/dbraw/zinc/03/37/34/459033734.db2.gz ASWBZFCYPXZGHM-BTZGUFSASA-N 1 0 338.426 3.272 40 0 EGABRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099666 459822875 /nfs/dbraw/zinc/82/28/75/459822875.db2.gz WATWQQIJTNYWIC-BEFAXECRSA-N 1 0 341.480 3.329 40 0 EGABRO O=C(Cc1cccc(F)c1F)N1CCC2(CC([NH+]3CCCC3)C2)CC1 ZINC000585101534 459823114 /nfs/dbraw/zinc/82/31/14/459823114.db2.gz ZQMAKOLXOCXFNP-UHFFFAOYSA-N 1 0 348.437 3.374 40 0 EGABRO c1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)cc1 ZINC000585104629 459823850 /nfs/dbraw/zinc/82/38/50/459823850.db2.gz JPBONPAXVXGMAB-GOSISDBHSA-N 1 0 326.465 3.358 40 0 EGABRO c1nc(Nc2cncc([C@@H]3CCC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585263294 459832211 /nfs/dbraw/zinc/83/22/11/459832211.db2.gz VCIRNAJRRMXVPR-CQSZACIVSA-N 1 0 337.452 3.233 40 0 EGABRO O[C@H]1[C@H](Oc2ccccc2Cl)CCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000585289313 459833588 /nfs/dbraw/zinc/83/35/88/459833588.db2.gz HWZDFGLQMFLEMP-CGTJXYLNSA-N 1 0 339.863 3.017 40 0 EGABRO Cc1cc(C)cc(OC[C@@]2(O)C[N@@H+](C3CCCCCC3)CC[C@@H]2O)c1 ZINC000585286018 459833650 /nfs/dbraw/zinc/83/36/50/459833650.db2.gz GUPQXDFTPLHLNO-SFTDATJTSA-N 1 0 347.499 3.203 40 0 EGABRO CCO[C@](C)(C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)C1CC1 ZINC000225723832 535651109 /nfs/dbraw/zinc/65/11/09/535651109.db2.gz VFYOUSGNJLWVOL-IBGZPJMESA-N 1 0 334.460 3.161 40 0 EGABRO C[NH+](C)CC[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cncn21 ZINC000248082775 535925521 /nfs/dbraw/zinc/92/55/21/535925521.db2.gz DBTRCYSMJJGUDN-AWEZNQCLSA-N 1 0 336.842 3.184 40 0 EGABRO CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000222943263 547245419 /nfs/dbraw/zinc/24/54/19/547245419.db2.gz XUFAHYYSOSUJGF-SFHVURJKSA-N 1 0 332.488 3.352 40 0 EGABRO COc1ccc(CN2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)c(OC)c1 ZINC000224085506 547246571 /nfs/dbraw/zinc/24/65/71/547246571.db2.gz GYEMFVMJQAHSIM-SCTDSRPQSA-N 1 0 342.483 3.034 40 0 EGABRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCn2c(C)nc3ccccc32)o1 ZINC000042911607 1291447634 /nfs/dbraw/zinc/44/76/34/1291447634.db2.gz XUZMQDJRWVTCTN-UHFFFAOYSA-N 1 0 335.411 3.426 40 0 EGABRO CNc1ccc(C)cc1C[NH2+][C@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000902207950 1317545054 /nfs/dbraw/zinc/54/50/54/1317545054.db2.gz CPTVUIKCXJJPRA-SFHVURJKSA-N 1 0 339.487 3.202 40 0 EGABRO Cc1cc(/C=C/c2ccccc2OC[C@@H](O)C[NH2+]C(C)(C)C)on1 ZINC000003647660 210070564 /nfs/dbraw/zinc/07/05/64/210070564.db2.gz MOIVIHVEHZGRGG-SCOAYWHSSA-N 1 0 330.428 3.281 40 0 in-man EGABRO CC(C)[NH2+]C[C@@H](O)c1cc(Br)c(Br)s1 ZINC000001866008 209802636 /nfs/dbraw/zinc/80/26/36/209802636.db2.gz CRGXEUWJDDLZSP-SSDOTTSWSA-N 1 0 343.084 3.305 40 0 EGABRO CC(C)COC(=O)c1ccc(NC(=O)C[NH2+]Cc2ccccc2)cc1 ZINC000001671429 209778677 /nfs/dbraw/zinc/77/86/77/209778677.db2.gz SBASVLQCADINJW-UHFFFAOYSA-N 1 0 340.423 3.228 40 0 EGABRO CC(C)c1ccc([C@H](Cc2ccccc2)[NH+](CCO)CCO)cc1 ZINC000001666031 209777355 /nfs/dbraw/zinc/77/73/55/209777355.db2.gz BQMGLBRANBSOER-NRFANRHFSA-N 1 0 327.468 3.380 40 0 EGABRO CCOC(=O)c1ccc(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000040049542 213255274 /nfs/dbraw/zinc/25/52/74/213255274.db2.gz MREAOJRNFRFMKQ-OAHLLOKOSA-N 1 0 347.459 3.249 40 0 EGABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072355512 216164733 /nfs/dbraw/zinc/16/47/33/216164733.db2.gz MRIIMLWERGELSV-OAHLLOKOSA-N 1 0 325.460 3.347 40 0 EGABRO Fc1ccc(C[NH+]2CCC(c3nccnc3-n3ccnc3)CC2)cc1 ZINC000072350499 216162479 /nfs/dbraw/zinc/16/24/79/216162479.db2.gz SKDSNQNRKLNZGG-UHFFFAOYSA-N 1 0 337.402 3.181 40 0 EGABRO CN(Cc1ccccc1)C(=O)c1cncc(C[C@H]2CCC[N@H+](C)C2)c1 ZINC000072369295 216176344 /nfs/dbraw/zinc/17/63/44/216176344.db2.gz HMRMMQMCTRRBNT-GOSISDBHSA-N 1 0 337.467 3.238 40 0 EGABRO c1ncc(C[N@H+]2CCC[C@@H](Cc3ccc(NC4CCCC4)nn3)C2)[nH]1 ZINC000072387289 216186231 /nfs/dbraw/zinc/18/62/31/216186231.db2.gz CXHMOZCYDRBMBQ-HNNXBMFYSA-N 1 0 340.475 3.009 40 0 EGABRO CCc1ccc(-c2ccc(C[NH2+]C[C@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000072921762 216328437 /nfs/dbraw/zinc/32/84/37/216328437.db2.gz SOGLEOVOLYPRLG-OAHLLOKOSA-N 1 0 333.453 3.033 40 0 EGABRO CC(C)n1nccc1NC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000072928806 216328529 /nfs/dbraw/zinc/32/85/29/216328529.db2.gz YYXGYYKNEAXXQA-UHFFFAOYSA-N 1 0 331.420 3.048 40 0 EGABRO COc1cc(Cl)c(Cl)cc1NC(=O)NC1CC[NH+](C)CC1 ZINC000191285370 239014912 /nfs/dbraw/zinc/01/49/12/239014912.db2.gz RNQBZDVGKRHBAS-UHFFFAOYSA-N 1 0 332.231 3.218 40 0 EGABRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccn1 ZINC000191643500 239231123 /nfs/dbraw/zinc/23/11/23/239231123.db2.gz XCBWYKNMOMYUPM-SCLBCKFNSA-N 1 0 345.393 3.202 40 0 EGABRO COc1ccc(S[C@@H](C)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000216282702 241179534 /nfs/dbraw/zinc/17/95/34/241179534.db2.gz JTXFDQROGMVXFE-HNNXBMFYSA-N 1 0 336.501 3.168 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc2c(c1)OCO2 ZINC000225581477 241935667 /nfs/dbraw/zinc/93/56/67/241935667.db2.gz VMRUQJQJIVMAEJ-HNNXBMFYSA-N 1 0 349.500 3.356 40 0 EGABRO COc1ccc(CN2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1OC ZINC000020569882 212147567 /nfs/dbraw/zinc/14/75/67/212147567.db2.gz KMTUFDDENXAJPK-WMZOPIPTSA-N 1 0 332.488 3.400 40 0 EGABRO Cc1c[nH]c(-c2cc([C@H]3CC[N@H+](Cc4ccccc4)C3)nc(C)n2)n1 ZINC000257218669 244175297 /nfs/dbraw/zinc/17/52/97/244175297.db2.gz DEAXEOZFDGXLGS-KRWDZBQOSA-N 1 0 333.439 3.473 40 0 EGABRO Cn1cncc1-c1nccnc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000257234647 244221925 /nfs/dbraw/zinc/22/19/25/244221925.db2.gz GUNHUMBQWPZBHY-UHFFFAOYSA-N 1 0 333.439 3.257 40 0 EGABRO COc1ccccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)C2 ZINC000257237228 244231432 /nfs/dbraw/zinc/23/14/32/244231432.db2.gz HFQGQRNBFFCCON-XBQLCILLSA-N 1 0 328.456 3.173 40 0 EGABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC[NH+]1CCCCC1 ZINC000020039203 212096506 /nfs/dbraw/zinc/09/65/06/212096506.db2.gz VFTHENCZDRSMKI-SFHVURJKSA-N 1 0 332.488 3.453 40 0 EGABRO COc1cccc(C[N@@H+](Cc2ccccn2)C[C@H]2CCOC2)c1OC ZINC000019567535 212044118 /nfs/dbraw/zinc/04/41/18/212044118.db2.gz NWJGBROQLBFDTN-MRXNPFEDSA-N 1 0 342.439 3.138 40 0 EGABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccccc3)C[C@H]2c2ccccn2)N1 ZINC000019372616 212022886 /nfs/dbraw/zinc/02/28/86/212022886.db2.gz QREXKJBFXYDPGM-GHTZIAJQSA-N 1 0 335.451 3.110 40 0 EGABRO O[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC000019369777 212022549 /nfs/dbraw/zinc/02/25/49/212022549.db2.gz DASHMSDRRRFPRJ-NRFANRHFSA-N 1 0 347.418 3.362 40 0 EGABRO Fc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)c1F ZINC000019292705 212013109 /nfs/dbraw/zinc/01/31/09/212013109.db2.gz UHYGDKINYWFHIB-AWEZNQCLSA-N 1 0 342.349 3.399 40 0 EGABRO Cc1ccc2c(c1)CN(Cc1ccccc1F)[C@@H](C[NH+](C)C)CO2 ZINC000019219397 212005697 /nfs/dbraw/zinc/00/56/97/212005697.db2.gz HQIDLEBINIUMAI-SFHVURJKSA-N 1 0 328.431 3.459 40 0 EGABRO Cc1n[nH]cc1C(=O)N(C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000078512031 217066220 /nfs/dbraw/zinc/06/62/20/217066220.db2.gz FEIAPULHNBOETD-UHFFFAOYSA-N 1 0 340.471 3.092 40 0 EGABRO Cc1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000078578663 217079990 /nfs/dbraw/zinc/07/99/90/217079990.db2.gz ZSJBTAXYFBXORU-UHFFFAOYSA-N 1 0 338.451 3.398 40 0 EGABRO C[C@H](CNC(=O)N(C)[C@H](C)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000078926009 217148777 /nfs/dbraw/zinc/14/87/77/217148777.db2.gz IYFXKZKTQABYJS-IAGOWNOFSA-N 1 0 340.471 3.305 40 0 EGABRO C[N@H+](Cc1cccc2cccnc21)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097168 217361529 /nfs/dbraw/zinc/36/15/29/217361529.db2.gz ZGBSZRDOCKVGBN-IRXDYDNUSA-N 1 0 332.469 3.022 40 0 EGABRO O[C@]1(c2cccnc2)CCC[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000012337135 211351553 /nfs/dbraw/zinc/35/15/53/211351553.db2.gz GCEVUISTTAMAGY-SYNHAJSKSA-N 1 0 344.405 3.480 40 0 EGABRO C[NH+](C)CC1CCC2(CC1)CN(C(=O)C1CC1)Cc1ccccc1O2 ZINC000012365609 211357633 /nfs/dbraw/zinc/35/76/33/211357633.db2.gz KNGBTSNTNGWMSG-UHFFFAOYSA-N 1 0 342.483 3.308 40 0 EGABRO CCCn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 ZINC000012242280 211329669 /nfs/dbraw/zinc/32/96/69/211329669.db2.gz MJGRAEHJIVLHJH-YOFSQIOKSA-N 1 0 343.446 3.447 40 0 EGABRO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000012241102 211328405 /nfs/dbraw/zinc/32/84/05/211328405.db2.gz WVGDNTCQLQHJLE-LBPRGKRZSA-N 1 0 327.453 3.058 40 0 EGABRO Cc1cc2nc(C3CC[NH+](CCc4ccccc4)CC3)cc(N)n2n1 ZINC000012121487 211299254 /nfs/dbraw/zinc/29/92/54/211299254.db2.gz ADELVMRTIHQNNT-UHFFFAOYSA-N 1 0 335.455 3.042 40 0 EGABRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000091595379 218029139 /nfs/dbraw/zinc/02/91/39/218029139.db2.gz KZPDDSIJNYBFES-MRXNPFEDSA-N 1 0 347.507 3.138 40 0 EGABRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000095422513 218365195 /nfs/dbraw/zinc/36/51/95/218365195.db2.gz VSVUQQDORHKRLJ-SWLSCSKDSA-N 1 0 338.377 3.368 40 0 EGABRO Cc1ccc(CNC2CC[NH+](CC3CC3)CC2)c(O[C@@H]2CCOC2)c1 ZINC000095423757 218365741 /nfs/dbraw/zinc/36/57/41/218365741.db2.gz XHTICHZVVUIYSP-HXUWFJFHSA-N 1 0 344.499 3.127 40 0 EGABRO COc1ccc([C@@H]2CC(c3cc(OC)cc(OC)c3)=NC(=[NH2+])N2)cc1 ZINC000005917582 210558884 /nfs/dbraw/zinc/55/88/84/210558884.db2.gz CASYWRALUHNWMQ-KRWDZBQOSA-N 1 0 339.395 3.171 40 0 EGABRO Cn1c[n+](C[C@H](O)COc2cccc3ccccc32)c2ccccc21 ZINC000005015175 210362232 /nfs/dbraw/zinc/36/22/32/210362232.db2.gz GSXLDFWCFBUJTN-KRWDZBQOSA-N 1 0 333.411 3.059 40 0 EGABRO Cc1cc(/C=C/c2ccccc2OC[C@H](O)C[NH2+]C(C)(C)C)on1 ZINC000000000406 208548280 /nfs/dbraw/zinc/54/82/80/208548280.db2.gz MOIVIHVEHZGRGG-ZNFPLGDCSA-N 1 0 330.428 3.281 40 0 in-man EGABRO CNC(=O)CC1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000097230937 219000017 /nfs/dbraw/zinc/00/00/17/219000017.db2.gz ZTGNBACIJUORLK-UHFFFAOYSA-N 1 0 349.906 3.288 40 0 EGABRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2csnc2C)cc1 ZINC000097237565 219003045 /nfs/dbraw/zinc/00/30/45/219003045.db2.gz MNZIVEKZAODZRF-QGZVFWFLSA-N 1 0 345.468 3.027 40 0 EGABRO C[C@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1cnn(C)c1 ZINC000097373411 219017186 /nfs/dbraw/zinc/01/71/86/219017186.db2.gz NRBBGKNDOWVUEZ-AWEZNQCLSA-N 1 0 336.480 3.108 40 0 EGABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)Cc1ccccn1 ZINC000019527133 285252017 /nfs/dbraw/zinc/25/20/17/285252017.db2.gz SFBPPTOXGPFJQW-LJQANCHMSA-N 1 0 325.456 3.274 40 0 EGABRO O=C1[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCCN1CC(F)(F)F ZINC000128130275 296433679 /nfs/dbraw/zinc/43/36/79/296433679.db2.gz ACOIODLWWBQPAR-GARJFASQSA-N 1 0 346.315 3.250 40 0 EGABRO CCOc1cc(CNCCC[NH2+]C)ccc1OCc1cccs1 ZINC000007523856 257864735 /nfs/dbraw/zinc/86/47/35/257864735.db2.gz VLWWCUFGJJEVJV-UHFFFAOYSA-N 1 0 334.485 3.425 40 0 EGABRO O[C@@]1(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CCSC1 ZINC000089704424 285345824 /nfs/dbraw/zinc/34/58/24/285345824.db2.gz CSYUPDLWSIWQFL-GXTWGEPZSA-N 1 0 346.265 3.033 40 0 EGABRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccn1 ZINC000191643516 533520634 /nfs/dbraw/zinc/52/06/34/533520634.db2.gz XCBWYKNMOMYUPM-FZKQIMNGSA-N 1 0 345.393 3.202 40 0 EGABRO C[C@@H]1CCc2c(sc3nc(C4CC4)nc(N4CC[NH2+]CC4)c23)C1 ZINC000004847588 274320348 /nfs/dbraw/zinc/32/03/48/274320348.db2.gz VUCZIMVZCWWWDQ-LLVKDONJSA-N 1 0 328.485 3.103 40 0 EGABRO Cc1cccnc1[C@@H]1CCC[C@]2(C1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000252498346 274813844 /nfs/dbraw/zinc/81/38/44/274813844.db2.gz QZFHGTFQYWCUMX-VLIAUNLRSA-N 1 0 346.438 3.300 40 0 EGABRO OCC[NH2+][C@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000001555486 275047618 /nfs/dbraw/zinc/04/76/18/275047618.db2.gz FHGFQQXEMNVJIA-HZPDHXFCSA-N 1 0 326.223 3.350 40 0 EGABRO C[C@@H](CC[NH2+][C@@H]1CCc2c1cccc2Br)[S@](C)=O ZINC000091398853 278233880 /nfs/dbraw/zinc/23/38/80/278233880.db2.gz LACQNTZIRDSNLO-DGVXXNCNSA-N 1 0 330.291 3.183 40 0 EGABRO Cc1ccc2[nH+]ccc(N3CCCN(C(=O)c4ccncc4)CC3)c2c1 ZINC000096502978 281169081 /nfs/dbraw/zinc/16/90/81/281169081.db2.gz BZWRPRJSNCQYGL-UHFFFAOYSA-N 1 0 346.434 3.291 40 0 EGABRO C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccc2c(c1)OCO2 ZINC000097236307 323215204 /nfs/dbraw/zinc/21/52/04/323215204.db2.gz ZMSKDVHJWRXHMO-GFCCVEGCSA-N 1 0 344.377 3.483 40 0 EGABRO C[C@@H](CC(=O)Nc1ccc(-c2csnn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000151703015 323220841 /nfs/dbraw/zinc/22/08/41/323220841.db2.gz QJSPMJBFSIVEHX-JSGCOSHPSA-N 1 0 330.457 3.169 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000163683340 323223754 /nfs/dbraw/zinc/22/37/54/323223754.db2.gz LBKCZNKXDLGURG-MOPGFXCFSA-N 1 0 345.487 3.080 40 0 EGABRO C[C@@H]1CSCCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000192326621 323814747 /nfs/dbraw/zinc/81/47/47/323814747.db2.gz YZYKKCCFONFVII-INIZCTEOSA-N 1 0 327.538 3.037 40 0 EGABRO COc1cc(CC[C@@H]2c3cc(O)c(OC)cc3CC[N@H+]2C)ccc1O ZINC000003847476 452785613 /nfs/dbraw/zinc/78/56/13/452785613.db2.gz SQOGYRBPCGNZFV-MRXNPFEDSA-N 1 0 343.423 3.277 40 0 EGABRO C[N@@H+]1CCC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000004214202 452797771 /nfs/dbraw/zinc/79/77/71/452797771.db2.gz LCFBCKSQWVQIBY-UYAOXDASSA-N 1 0 331.456 3.092 40 0 in-man EGABRO Cc1cc(C)c(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000006500577 452947831 /nfs/dbraw/zinc/94/78/31/452947831.db2.gz BWKFDNLKEHZJFX-HXUWFJFHSA-N 1 0 325.452 3.410 40 0 EGABRO CC(C)(C)n1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2F)c1 ZINC000014001570 453498484 /nfs/dbraw/zinc/49/84/84/453498484.db2.gz HFXJHYMJOZAHKN-MJGOQNOKSA-N 1 0 343.446 3.492 40 0 EGABRO CCC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(C)CC3)ccc21 ZINC000019498882 453656717 /nfs/dbraw/zinc/65/67/17/453656717.db2.gz JRRHIKLRTNOCNS-LJQANCHMSA-N 1 0 330.472 3.141 40 0 EGABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@@H+]2Cc1ccccn1 ZINC000019712617 453659068 /nfs/dbraw/zinc/65/90/68/453659068.db2.gz CWRYWBYPFGVVPT-ZVDOUQERSA-N 1 0 335.451 3.108 40 0 EGABRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932246 453821441 /nfs/dbraw/zinc/82/14/41/453821441.db2.gz WBVLCVHAYAQPDX-DGCLKSJQSA-N 1 0 343.254 3.067 40 0 EGABRO CC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000033015026 453901299 /nfs/dbraw/zinc/90/12/99/453901299.db2.gz KTQITHCLRHQXLD-GOSISDBHSA-N 1 0 347.842 3.414 40 0 EGABRO CCC[N@@H+]1CCc2nc(SCc3ccccc3F)[nH]c(=O)c2C1 ZINC000033287218 453913601 /nfs/dbraw/zinc/91/36/01/453913601.db2.gz DJWBLJSKWBELME-UHFFFAOYSA-N 1 0 333.432 3.382 40 0 EGABRO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000037201868 453933947 /nfs/dbraw/zinc/93/39/47/453933947.db2.gz ZHIFIHIACTXESU-HBFSDRIKSA-N 1 0 331.456 3.284 40 0 EGABRO Cc1ccc2c(cnn2CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000057279346 454117842 /nfs/dbraw/zinc/11/78/42/454117842.db2.gz KATNLVWMAPVKHY-UHFFFAOYSA-N 1 0 342.487 3.160 40 0 EGABRO Cc1ccc(NC(=O)C[NH2+]Cc2ccccc2)c(Br)c1 ZINC000057575994 454135960 /nfs/dbraw/zinc/13/59/60/454135960.db2.gz JJWOIUHMURSTBW-UHFFFAOYSA-N 1 0 333.229 3.486 40 0 EGABRO FC(F)(F)CN1CC[C@@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000095420507 454208607 /nfs/dbraw/zinc/20/86/07/454208607.db2.gz MQLCPHAJWPPLML-ZFWWWQNUSA-N 1 0 328.378 3.374 40 0 EGABRO [NH3+][C@@H](Cc1ccccc1)c1nc(COc2ccc(Cl)cc2)n[nH]1 ZINC000095534826 454230407 /nfs/dbraw/zinc/23/04/07/454230407.db2.gz BLXLJBCTHLBKKE-HNNXBMFYSA-N 1 0 328.803 3.280 40 0 EGABRO Cc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)n1 ZINC000096039807 454265803 /nfs/dbraw/zinc/26/58/03/454265803.db2.gz UVKUOMVUHHETHJ-VQTJNVASSA-N 1 0 330.472 3.188 40 0 EGABRO O=C(c1cccs1)N1CCC[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096047026 454270277 /nfs/dbraw/zinc/27/02/77/454270277.db2.gz IMBFMSYMRBRWNG-IBGZPJMESA-N 1 0 341.480 3.271 40 0 EGABRO c1csc(CN2CCC3(CC[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC000096046620 454270539 /nfs/dbraw/zinc/27/05/39/454270539.db2.gz URCNXNFEFBOAEZ-UHFFFAOYSA-N 1 0 328.485 3.026 40 0 EGABRO c1cc(C[NH+]2CCC3(CC2)CN(Cc2ccccn2)CCO3)cs1 ZINC000096048957 454271339 /nfs/dbraw/zinc/27/13/39/454271339.db2.gz RUXNVPLYSDOOJK-UHFFFAOYSA-N 1 0 343.496 3.010 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccco2)C[C@]12CCN(c1cccnc1)C2 ZINC000096051121 454272688 /nfs/dbraw/zinc/27/26/88/454272688.db2.gz QORLMGFCMYHYGY-KRWDZBQOSA-N 1 0 333.382 3.412 40 0 EGABRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccs2)cs1 ZINC000096056574 454273997 /nfs/dbraw/zinc/27/39/97/454273997.db2.gz GKXSUEUXBWCSSZ-HZPDHXFCSA-N 1 0 347.509 3.279 40 0 EGABRO Cc1cc([C@@H](O)c2ccccc2)cnc1N1CC[NH+](C(C)C)CC1 ZINC000072222668 454275093 /nfs/dbraw/zinc/27/50/93/454275093.db2.gz ITJPNAHIBLNIIA-IBGZPJMESA-N 1 0 325.456 3.002 40 0 EGABRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)s1 ZINC000096062465 454278198 /nfs/dbraw/zinc/27/81/98/454278198.db2.gz RNBRFSVBWVBMBL-IBGZPJMESA-N 1 0 343.496 3.180 40 0 EGABRO Cc1cccc(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)n1 ZINC000096071875 454280467 /nfs/dbraw/zinc/28/04/67/454280467.db2.gz IDGGZVDDSCNPMI-UHFFFAOYSA-N 1 0 337.471 3.063 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(C(=O)c1ccoc1)CC2 ZINC000096075298 454280494 /nfs/dbraw/zinc/28/04/94/454280494.db2.gz JJPHQBPJMAZRBJ-UHFFFAOYSA-N 1 0 343.427 3.155 40 0 EGABRO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc2ccccc2o1 ZINC000090116343 454281589 /nfs/dbraw/zinc/28/15/89/454281589.db2.gz DZNHDPNYEXQCRE-DZGCQCFKSA-N 1 0 338.411 3.013 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@H](OCc4csc(C)n4)CO3)C2)o1 ZINC000096107625 454284726 /nfs/dbraw/zinc/28/47/26/454284726.db2.gz XTAWDSZIGVRJIV-ROUUACIJSA-N 1 0 348.468 3.303 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC000096200546 454302210 /nfs/dbraw/zinc/30/22/10/454302210.db2.gz FJUYQTJVAPPHOQ-PMACEKPBSA-N 1 0 341.455 3.299 40 0 EGABRO COc1cccc(CN2CCC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000096215678 454305907 /nfs/dbraw/zinc/30/59/07/454305907.db2.gz DOMCWLGWBUQYER-NRFANRHFSA-N 1 0 344.499 3.162 40 0 EGABRO c1cc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNc2ncccn2)O3)cs1 ZINC000096220124 454306974 /nfs/dbraw/zinc/30/69/74/454306974.db2.gz ATIFGSOXVYQZCR-SJLPKXTDSA-N 1 0 344.484 3.164 40 0 EGABRO O=C(C[C@@H]1CO[C@@H]2C[N@@H+](C3CCCCC3)C[C@H]12)NCc1cccs1 ZINC000096218943 454307542 /nfs/dbraw/zinc/30/75/42/454307542.db2.gz LNLNYKWUUQFORO-ZTFGCOKTSA-N 1 0 348.512 3.034 40 0 EGABRO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2ccoc2)CC3)n1 ZINC000096228297 454308491 /nfs/dbraw/zinc/30/84/91/454308491.db2.gz NZHYJEGLVIUDOY-UHFFFAOYSA-N 1 0 339.439 3.140 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)s1 ZINC000096222578 454309005 /nfs/dbraw/zinc/30/90/05/454309005.db2.gz HECZIZUNNFBAFD-MAUKXSAKSA-N 1 0 345.468 3.049 40 0 EGABRO O=C(c1ccsc1)N1CCC2(CCC[N@@H+]2Cc2cccnc2)CC1 ZINC000096227979 454309563 /nfs/dbraw/zinc/30/95/63/454309563.db2.gz PUVFNBRNEPBRRC-UHFFFAOYSA-N 1 0 341.480 3.414 40 0 EGABRO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1ccccc1C)CC2 ZINC000096240327 454311963 /nfs/dbraw/zinc/31/19/63/454311963.db2.gz NJNPIGJWGPHKOL-GOSISDBHSA-N 1 0 344.499 3.347 40 0 EGABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccc(Cl)cc4)C[C@@H]32)C(=O)N1C ZINC000096261588 454315087 /nfs/dbraw/zinc/31/50/87/454315087.db2.gz GEHVHJJYLSWXMO-SIXWZSSISA-N 1 0 345.874 3.201 40 0 EGABRO O=C([C@H]1C[C@@H]1c1cccnc1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000096416798 454332358 /nfs/dbraw/zinc/33/23/58/454332358.db2.gz AUURWOZHATUEAA-UXHICEINSA-N 1 0 335.451 3.314 40 0 EGABRO C[N@H+](CCOC[C@@H]1CCCO1)[C@@H](c1ccccc1)c1ccccn1 ZINC000096421122 454335235 /nfs/dbraw/zinc/33/52/35/454335235.db2.gz NFDUSHVADZQGKA-ICSRJNTNSA-N 1 0 326.440 3.298 40 0 EGABRO C[C@H](CC(=O)NC1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000096427037 454340466 /nfs/dbraw/zinc/34/04/66/454340466.db2.gz KIYVAVKUYIZYRB-GFCCVEGCSA-N 1 0 328.378 3.409 40 0 EGABRO CC[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCc1cscn1 ZINC000096431764 454342014 /nfs/dbraw/zinc/34/20/14/454342014.db2.gz KADWPQFGFVKIBX-SFHVURJKSA-N 1 0 343.496 3.199 40 0 EGABRO C[NH+](C)CCn1ccc(NC(=O)N2CCC3(CCCCC3)CC2)n1 ZINC000096435381 454346738 /nfs/dbraw/zinc/34/67/38/454346738.db2.gz WXEAYZKYJIYNQX-UHFFFAOYSA-N 1 0 333.480 3.023 40 0 EGABRO C[C@@H]([NH2+]CCOC1CCCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000096477934 454364295 /nfs/dbraw/zinc/36/42/95/454364295.db2.gz AWIAJLNVNYFFHQ-OAHLLOKOSA-N 1 0 339.501 3.480 40 0 EGABRO O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](CCc2ccncc2)C1 ZINC000096483685 454366754 /nfs/dbraw/zinc/36/67/54/454366754.db2.gz AESKDEZQMFYFSU-IRXDYDNUSA-N 1 0 336.357 3.451 40 0 EGABRO CCN1CC[C@@H]([NH2+]Cc2cscn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000096501168 454371888 /nfs/dbraw/zinc/37/18/88/454371888.db2.gz YBFKMSWZFZAQJD-ZBFHGGJFSA-N 1 0 341.402 3.486 40 0 EGABRO C[C@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@@H]1CCOC1 ZINC000097096446 454405500 /nfs/dbraw/zinc/40/55/00/454405500.db2.gz JIFFCOQNIMRYAZ-WCQYABFASA-N 1 0 333.457 3.192 40 0 EGABRO CC(C)[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000091280668 454421294 /nfs/dbraw/zinc/42/12/94/454421294.db2.gz CVYZCHWOIQXLQD-WFASDCNBSA-N 1 0 349.418 3.427 40 0 EGABRO Cc1cc(Br)ccc1C(=O)NCC[NH+]1CCCCCC1 ZINC000048573199 454499522 /nfs/dbraw/zinc/49/95/22/454499522.db2.gz UHKDXNSIBRQISY-UHFFFAOYSA-N 1 0 339.277 3.363 40 0 EGABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccncc4)C3)o2)cc1 ZINC000049170232 454537174 /nfs/dbraw/zinc/53/71/74/454537174.db2.gz QRVWBOYEBRDJLI-KRWDZBQOSA-N 1 0 349.438 3.187 40 0 biogenic,in-vitro EGABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000052567614 454685241 /nfs/dbraw/zinc/68/52/41/454685241.db2.gz GWIKTCAIDIIMEL-QAPCUYQASA-N 1 0 340.471 3.491 40 0 EGABRO Cc1ccc(C)c(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)c1 ZINC000152953624 454746741 /nfs/dbraw/zinc/74/67/41/454746741.db2.gz GAERBRRJIOAKAU-UHFFFAOYSA-N 1 0 339.439 3.424 40 0 EGABRO Cc1ncsc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000107712068 454769809 /nfs/dbraw/zinc/76/98/09/454769809.db2.gz SEWYPOTXDYBQCO-ROUUACIJSA-N 1 0 336.501 3.249 40 0 EGABRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccnc(Oc3ccccc3)c2)C1 ZINC000162658758 454791307 /nfs/dbraw/zinc/79/13/07/454791307.db2.gz DCWDKRXFIFNUDB-HNNXBMFYSA-N 1 0 340.427 3.289 40 0 EGABRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccco2)[C@H]1c1cccs1 ZINC000110630302 454849862 /nfs/dbraw/zinc/84/98/62/454849862.db2.gz IBICKUORQFEJNB-CJNGLKHVSA-N 1 0 333.457 3.223 40 0 EGABRO C[NH+](C)Cc1ccc(C(N)=O)cc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129540781 455116393 /nfs/dbraw/zinc/11/63/93/455116393.db2.gz QUIFLAZPYQRXLI-UONOGXRCSA-N 1 0 343.393 3.380 40 0 EGABRO COc1ccc(S[C@@H](C)C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000156458925 455120210 /nfs/dbraw/zinc/12/02/10/455120210.db2.gz NVGOVZOBUHZZAN-AWEZNQCLSA-N 1 0 336.501 3.024 40 0 EGABRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000175336905 455439263 /nfs/dbraw/zinc/43/92/63/455439263.db2.gz DRVSYJOUTSNECA-MLGOLLRUSA-N 1 0 340.389 3.442 40 0 EGABRO CCc1ocnc1C(=O)OC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000248179511 455695710 /nfs/dbraw/zinc/69/57/10/455695710.db2.gz CKKHVRQLKVUALX-KSSFIOAISA-N 1 0 344.411 3.095 40 0 EGABRO Cc1ncccc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248588327 455720893 /nfs/dbraw/zinc/72/08/93/455720893.db2.gz GRQXVFIOODIXBH-YESZJQIVSA-N 1 0 331.460 3.125 40 0 EGABRO OCC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000248763067 455729685 /nfs/dbraw/zinc/72/96/85/455729685.db2.gz DWCYDJFNLYTUQD-YSTOQKLRSA-N 1 0 340.467 3.488 40 0 EGABRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ncccc2Br)c1 ZINC000252498351 455814683 /nfs/dbraw/zinc/81/46/83/455814683.db2.gz QZKICJKGEYVBRG-UHFFFAOYSA-N 1 0 348.244 3.466 40 0 EGABRO Cc1nc(C2CC2)oc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000253420629 455844226 /nfs/dbraw/zinc/84/42/26/455844226.db2.gz ZIWSHANXQKELEB-CXAGYDPISA-N 1 0 339.439 3.253 40 0 EGABRO CNc1cnc(C[C@@H]2CCC[N@H+](Cc3scnc3C)CC2)cn1 ZINC000257297341 455885310 /nfs/dbraw/zinc/88/53/10/455885310.db2.gz RGVNCSYQXQTIGS-CQSZACIVSA-N 1 0 331.489 3.128 40 0 EGABRO Fc1ccc(C[NH+]2CCC3(CO[C@H](Cc4cncnc4)C3)CC2)cc1 ZINC000257294538 455885685 /nfs/dbraw/zinc/88/56/85/455885685.db2.gz QUPPKIWTQQSZLN-LJQANCHMSA-N 1 0 341.430 3.230 40 0 EGABRO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000195540597 455982194 /nfs/dbraw/zinc/98/21/94/455982194.db2.gz QGGVCJSGNWAMFM-SCLBCKFNSA-N 1 0 345.464 3.437 40 0 EGABRO CCN(CC)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c(O)c1 ZINC000195546790 455982670 /nfs/dbraw/zinc/98/26/70/455982670.db2.gz YROCVBBXKXSISH-YJBOKZPZSA-N 1 0 347.503 3.041 40 0 EGABRO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)c2ccccc2n1 ZINC000195557775 455985173 /nfs/dbraw/zinc/98/51/73/455985173.db2.gz ZNWDAMFYUZIYRK-IBGZPJMESA-N 1 0 339.439 3.125 40 0 EGABRO C[C@H](Cc1ccc2ccccc2c1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000195570389 455987272 /nfs/dbraw/zinc/98/72/72/455987272.db2.gz ZZVWOFOETLJIQU-SJLPKXTDSA-N 1 0 339.483 3.364 40 0 EGABRO C[C@H]1CCC[N@H+](CCCNC(=O)COc2ccc3c(c2)CCCC3)C1 ZINC000223396908 456055866 /nfs/dbraw/zinc/05/58/66/456055866.db2.gz WILBCOJTUNZZED-KRWDZBQOSA-N 1 0 344.499 3.182 40 0 EGABRO O=C(COc1cccc2c1CCCC2)NCCC[NH+]1CCCCCC1 ZINC000225059667 456072124 /nfs/dbraw/zinc/07/21/24/456072124.db2.gz IVYKLHBCETYSRR-UHFFFAOYSA-N 1 0 344.499 3.327 40 0 EGABRO C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000225586826 456094547 /nfs/dbraw/zinc/09/45/47/456094547.db2.gz GGRCZJZUTKJZPA-LBPRGKRZSA-N 1 0 330.350 3.441 40 0 EGABRO COc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccnc1N(C)C ZINC000225581091 456095320 /nfs/dbraw/zinc/09/53/20/456095320.db2.gz HVZQAKWQARMNOQ-QGZVFWFLSA-N 1 0 327.428 3.160 40 0 EGABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225601895 456096948 /nfs/dbraw/zinc/09/69/48/456096948.db2.gz VSYCJKMONWZSNH-LJQANCHMSA-N 1 0 334.460 3.305 40 0 EGABRO COC(C)(C)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225599302 456097635 /nfs/dbraw/zinc/09/76/35/456097635.db2.gz BVIJYVIBGCIVNH-IYBDPMFKSA-N 1 0 348.487 3.407 40 0 EGABRO CCCC[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000225693087 456104159 /nfs/dbraw/zinc/10/41/59/456104159.db2.gz LBPGTGXYRCEKLJ-RDJZCZTQSA-N 1 0 345.487 3.149 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(CC2CC2)C(=O)c2cccn23)s1 ZINC000306140784 456567563 /nfs/dbraw/zinc/56/75/63/456567563.db2.gz VEGHYFWRUAUWIC-MSOLQXFVSA-N 1 0 341.480 3.149 40 0 EGABRO COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000363521230 457355354 /nfs/dbraw/zinc/35/53/54/457355354.db2.gz YIUSFRMITVPAOT-XKQJLSEDSA-N 1 0 349.450 3.164 40 0 EGABRO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](CC2CCCCC2)CC[C@@]1(C)O ZINC000514288764 458798595 /nfs/dbraw/zinc/79/85/95/458798595.db2.gz BLGQGPDIPPUQPF-PCCBWWKXSA-N 1 0 344.499 3.269 40 0 biogenic,in-vitro EGABRO CC[C@H](C)[N@@H+]1CCOC[C@@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585103646 459823839 /nfs/dbraw/zinc/82/38/39/459823839.db2.gz DZDZEJYYNNLVES-ZWOKBUDYSA-N 1 0 330.472 3.097 40 0 EGABRO CCOCC[C@H]1CCOC12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000585105085 459825459 /nfs/dbraw/zinc/82/54/59/459825459.db2.gz PBXWTXXQCOJUOA-SFHVURJKSA-N 1 0 333.472 3.493 40 0 EGABRO COCC[N@@H+]1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000585113261 459826217 /nfs/dbraw/zinc/82/62/17/459826217.db2.gz XEUSDWGBIFOAGZ-LJQANCHMSA-N 1 0 348.462 3.179 40 0 EGABRO Cc1cnccc1CC[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000585141596 459829457 /nfs/dbraw/zinc/82/94/57/459829457.db2.gz XUBYVQVKOFBSEU-CQSZACIVSA-N 1 0 343.418 3.071 40 0 EGABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000585289959 459833277 /nfs/dbraw/zinc/83/32/77/459833277.db2.gz YFHSNGVFZKZCGB-IPMKNSEASA-N 1 0 333.378 3.415 40 0 EGABRO COc1ccccc1CC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289022 459833390 /nfs/dbraw/zinc/83/33/90/459833390.db2.gz MKZGIKDEWXEVFD-CEWLAPEOSA-N 1 0 341.451 3.188 40 0 EGABRO COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H](c2nnc(C)o2)C1 ZINC000651374674 462201740 /nfs/dbraw/zinc/20/17/40/462201740.db2.gz LEAPUNUJXNVKRC-LBPRGKRZSA-N 1 0 342.374 3.458 40 0 EGABRO COc1ccc([C@H]2CN(C(=O)C3CCCCC3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257200554 536944138 /nfs/dbraw/zinc/94/41/38/536944138.db2.gz ADTWSTZEMIDKMU-VAMGGRTRSA-N 1 0 342.483 3.179 40 0 EGABRO COc1ccc2cc(C[NH+]3CCC4(CC3)OCCC[C@@H]4O)ccc2c1 ZINC000257265753 537033577 /nfs/dbraw/zinc/03/35/77/537033577.db2.gz MACRLJIVYWIFLD-FQEVSTJZSA-N 1 0 341.451 3.354 40 0 EGABRO CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@H]2C[NH3+])cc1 ZINC000218603039 547240888 /nfs/dbraw/zinc/24/08/88/547240888.db2.gz VTEDGAUWJJZECN-QRVBRYPASA-N 1 0 329.465 3.072 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@]3(CCN(C(=O)c4ccco4)C3)C2)o1 ZINC000306125655 547460129 /nfs/dbraw/zinc/46/01/29/547460129.db2.gz CXBOOBAJAYUFNG-MJGOQNOKSA-N 1 0 346.402 3.257 40 0 EGABRO c1nn(-c2ccccc2)c2ncnc(NCC[NH+]3CCCCCC3)c12 ZINC000036646315 213107440 /nfs/dbraw/zinc/10/74/40/213107440.db2.gz WFORHGDNSRSDHE-UHFFFAOYSA-N 1 0 336.443 3.103 40 0 EGABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000072324606 216151461 /nfs/dbraw/zinc/15/14/61/216151461.db2.gz YCFCRGCODZFDGT-GUYCJALGSA-N 1 0 330.863 3.399 40 0 EGABRO c1cn(-c2cncc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)cn1 ZINC000072355494 216165010 /nfs/dbraw/zinc/16/50/10/216165010.db2.gz HHHZRRKAWOUHDZ-GOSISDBHSA-N 1 0 333.439 3.084 40 0 EGABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2cccc(-n3ccnc3C)n2)cn1 ZINC000072355507 216163681 /nfs/dbraw/zinc/16/36/81/216163681.db2.gz HGYVJZRGOJMJGU-SFHVURJKSA-N 1 0 336.443 3.129 40 0 EGABRO Cc1cc(CCC(=O)Nc2cn[nH]c2)cc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000072366852 216172519 /nfs/dbraw/zinc/17/25/19/216172519.db2.gz BQVQMHWXCGRPQH-GOSISDBHSA-N 1 0 341.459 3.230 40 0 EGABRO C[NH+](C)Cc1ccc(C(N)=O)cc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129541188 223067257 /nfs/dbraw/zinc/06/72/57/223067257.db2.gz QUIFLAZPYQRXLI-ZIAGYGMSSA-N 1 0 343.393 3.380 40 0 EGABRO O=c1cc(C2CC[NH+](Cc3ccncc3)CC2)nc(-c2cccnc2)[nH]1 ZINC000072392757 216191025 /nfs/dbraw/zinc/19/10/25/216191025.db2.gz WJZNZVUYNSDHID-UHFFFAOYSA-N 1 0 347.422 3.019 40 0 EGABRO C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)cn3nnnc23)C1 ZINC000072392331 216191132 /nfs/dbraw/zinc/19/11/32/216191132.db2.gz FIHYSXHRGAYYAZ-CYBMUJFWSA-N 1 0 325.391 3.162 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000072390050 216191191 /nfs/dbraw/zinc/19/11/91/216191191.db2.gz YKWIDEYIIXEEHZ-MRXNPFEDSA-N 1 0 335.411 3.215 40 0 EGABRO Cc1ncsc1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000195556028 241003328 /nfs/dbraw/zinc/00/33/28/241003328.db2.gz LVXYSZQAECWPHA-CYBMUJFWSA-N 1 0 325.478 3.331 40 0 EGABRO C[C@@H](C[NH+]1CCC(N2CCCNC2=O)CC1)c1cccc(Cl)c1 ZINC000195573016 241019758 /nfs/dbraw/zinc/01/97/58/241019758.db2.gz HIMSCEBQEVPWSN-AWEZNQCLSA-N 1 0 335.879 3.323 40 0 EGABRO CC(C)Oc1ccc(CC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000253433637 243992292 /nfs/dbraw/zinc/99/22/92/243992292.db2.gz ZOYOYSOZCQQOIP-IBGZPJMESA-N 1 0 344.499 3.207 40 0 EGABRO Cc1ccccc1O[C@H](C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020462144 212133701 /nfs/dbraw/zinc/13/37/01/212133701.db2.gz UCOFJZFXETWPBD-SOLBZPMBSA-N 1 0 332.488 3.247 40 0 EGABRO Cc1nc([C@@H]2CCC[NH2+]C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000257201592 244120591 /nfs/dbraw/zinc/12/05/91/244120591.db2.gz AIGFKIXNPQCMSI-MRXNPFEDSA-N 1 0 342.487 3.112 40 0 EGABRO COc1ccccc1CNc1n[nH]c2nc([C@H]3CCC[NH2+]C3)ccc12 ZINC000257202198 244121487 /nfs/dbraw/zinc/12/14/87/244121487.db2.gz AKVVGDUBWCBSNP-ZDUSSCGKSA-N 1 0 337.427 3.046 40 0 EGABRO Cc1cnc(NC(=O)C2(Cc3cccc(F)c3)CC[NH+](C)CC2)s1 ZINC000257227157 244205070 /nfs/dbraw/zinc/20/50/70/244205070.db2.gz FNYMAJLBGMVLOB-UHFFFAOYSA-N 1 0 347.459 3.484 40 0 EGABRO Cc1cc2nc(C3CC[NH+](Cc4ccc(F)cn4)CC3)cc(C)n2n1 ZINC000257244458 244252949 /nfs/dbraw/zinc/25/29/49/244252949.db2.gz ILKIOOZPKXERDG-UHFFFAOYSA-N 1 0 339.418 3.260 40 0 EGABRO c1cc2c(cccc2C[C@@H]2COCC[N@@H+](CC3CCOCC3)C2)o1 ZINC000257242007 244246914 /nfs/dbraw/zinc/24/69/14/244246914.db2.gz IAPYUQKZJNQIMX-KRWDZBQOSA-N 1 0 329.440 3.350 40 0 EGABRO Cn1c(C[N@@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)nc2ccccc21 ZINC000257250220 244267658 /nfs/dbraw/zinc/26/76/58/244267658.db2.gz JLOULRBRNIERKX-OAHLLOKOSA-N 1 0 346.438 3.224 40 0 EGABRO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cn(C)c2ccc(F)cc12 ZINC000019749145 212062067 /nfs/dbraw/zinc/06/20/67/212062067.db2.gz XGVWBVCNEGTPHX-KRWDZBQOSA-N 1 0 331.435 3.198 40 0 EGABRO COc1ccc([C@@H]2C[N@H+](Cc3ccncc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000019557235 212042263 /nfs/dbraw/zinc/04/22/63/212042263.db2.gz ZJAGKICBNVDBRS-RBUKOAKNSA-N 1 0 334.423 3.197 40 0 EGABRO COc1cc2cccnc2c(NCCCCCCN2CC[NH2+]CC2)c1 ZINC000019365959 212022753 /nfs/dbraw/zinc/02/27/53/212022753.db2.gz UIRZDUOBYUVTGL-UHFFFAOYSA-N 1 0 342.487 3.121 40 0 EGABRO Clc1ccccc1CN1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019349354 212019386 /nfs/dbraw/zinc/01/93/86/212019386.db2.gz NAHDMKRHOQVBIB-UHFFFAOYSA-N 1 0 342.874 3.155 40 0 EGABRO Fc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1F ZINC000019292846 212012774 /nfs/dbraw/zinc/01/27/74/212012774.db2.gz AAWCGOGNCNQTFA-CQSZACIVSA-N 1 0 342.349 3.399 40 0 EGABRO Fc1cc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)ccc1Cl ZINC000019292967 212012698 /nfs/dbraw/zinc/01/26/98/212012698.db2.gz FJSCAODYPPIGML-QGZVFWFLSA-N 1 0 346.837 3.252 40 0 EGABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nn(C)c3ncccc23)C1 ZINC000019289502 212012018 /nfs/dbraw/zinc/01/20/18/212012018.db2.gz YNWXYVMAPVIANK-MRXNPFEDSA-N 1 0 336.439 3.357 40 0 EGABRO COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@@H+](C4CCCC4)C[C@@H]32)c1 ZINC000019019399 211996626 /nfs/dbraw/zinc/99/66/26/211996626.db2.gz OXJNVZCPIYZVLN-NJDAHSKKSA-N 1 0 342.483 3.274 40 0 EGABRO Cc1nn(CCO)c(C)c1C[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000078553339 217074857 /nfs/dbraw/zinc/07/48/57/217074857.db2.gz QMNBLCAFQXKJCT-LJQANCHMSA-N 1 0 327.472 3.395 40 0 EGABRO C[C@H]([NH2+]C1(CNC(=O)C[C@@H]2C=CCC2)CCOCC1)c1ccccc1 ZINC000079096340 217192114 /nfs/dbraw/zinc/19/21/14/217192114.db2.gz PJPQVPKDPGKLEJ-ZWKOTPCHSA-N 1 0 342.483 3.359 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(NC(C)=O)c1 ZINC000079101281 217192425 /nfs/dbraw/zinc/19/24/25/217192425.db2.gz URRHFIUTYQKZMV-KRWDZBQOSA-N 1 0 332.448 3.031 40 0 EGABRO O[C@@]1(c2cccnc2)CCC[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000012337136 211350771 /nfs/dbraw/zinc/35/07/71/211350771.db2.gz GCEVUISTTAMAGY-RIFZZMRRSA-N 1 0 344.405 3.480 40 0 EGABRO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2)n1 ZINC000012185919 211313535 /nfs/dbraw/zinc/31/35/35/211313535.db2.gz XDDWGZKCMFJOEC-IBGZPJMESA-N 1 0 339.439 3.156 40 0 EGABRO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)n1cnc2ccccc21 ZINC000012148558 211307902 /nfs/dbraw/zinc/30/79/02/211307902.db2.gz SGFVFIPOMBHZGP-FUHWJXTLSA-N 1 0 342.487 3.224 40 0 EGABRO CCCc1ncc(C[N@@H+]2CCCN(c3cccc(OC)c3)CC2)cn1 ZINC000012148153 211307214 /nfs/dbraw/zinc/30/72/14/211307214.db2.gz MEBSZVVSAWIZFN-UHFFFAOYSA-N 1 0 340.471 3.150 40 0 EGABRO CCOC(=O)N(C)C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000095398984 218331998 /nfs/dbraw/zinc/33/19/98/218331998.db2.gz YNAMLKMPYIGQOG-UHFFFAOYSA-N 1 0 327.428 3.288 40 0 EGABRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCn1ccccc1=O ZINC000095421230 218363180 /nfs/dbraw/zinc/36/31/80/218363180.db2.gz XMAUKGWTUYXWGQ-SFHVURJKSA-N 1 0 326.440 3.440 40 0 EGABRO O=C(Cc1coc2ccccc12)N[C@@H]1c2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC000096156971 218630321 /nfs/dbraw/zinc/63/03/21/218630321.db2.gz UAACPCDEFITOSV-BBTUJRGHSA-N 1 0 332.403 3.149 40 0 EGABRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Br ZINC000152793487 224012513 /nfs/dbraw/zinc/01/25/13/224012513.db2.gz XEJNTSWDUJADKQ-SNVBAGLBSA-N 1 0 345.668 3.222 40 0 EGABRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3nc(OC)ccc3c2)C1 ZINC000096453142 218836951 /nfs/dbraw/zinc/83/69/51/218836951.db2.gz LFHWMFYPEWTJHL-AWEZNQCLSA-N 1 0 342.443 3.049 40 0 EGABRO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000005015200 210362648 /nfs/dbraw/zinc/36/26/48/210362648.db2.gz UGVMNLSNLCCYPZ-HNNXBMFYSA-N 1 0 345.850 3.122 40 0 EGABRO Cn1c[n+](C[C@H](O)COc2ccc3ccccc3c2)c2ccccc21 ZINC000005015182 210362667 /nfs/dbraw/zinc/36/26/67/210362667.db2.gz BSUDJPLHPMVVNK-SFHVURJKSA-N 1 0 333.411 3.059 40 0 EGABRO Cc1ccc2c(c1)C(=O)NCC1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000012142610 274770554 /nfs/dbraw/zinc/77/05/54/274770554.db2.gz MSUACKJEJZJDSU-UHFFFAOYSA-N 1 0 336.435 3.152 40 0 EGABRO Cn1cc([C@@H]2CN(C(=O)C(C)(C)C)C[C@H]2[NH+](C)C)c2ccccc21 ZINC000072395158 276845476 /nfs/dbraw/zinc/84/54/76/276845476.db2.gz KQMSVQZSIANXMP-FUHWJXTLSA-N 1 0 327.472 3.080 40 0 EGABRO C[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000096071410 277070826 /nfs/dbraw/zinc/07/08/26/277070826.db2.gz CXJPBUZRALDDJF-INIZCTEOSA-N 1 0 326.362 3.406 40 0 EGABRO C[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000096071411 277085192 /nfs/dbraw/zinc/08/51/92/277085192.db2.gz CXJPBUZRALDDJF-MRXNPFEDSA-N 1 0 326.362 3.406 40 0 EGABRO C[C@@H]1C[C@H](OC[C@H](O)C[N@H+](CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000095532666 279001268 /nfs/dbraw/zinc/00/12/68/279001268.db2.gz FKQLTXLKHRPMII-RLLQIKCJSA-N 1 0 349.515 3.073 40 0 EGABRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000096436552 280321588 /nfs/dbraw/zinc/32/15/88/280321588.db2.gz RPXUZUFZRYETKU-ICSRJNTNSA-N 1 0 334.504 3.129 40 0 EGABRO CC[C@H](OC[C@H](O)C[N@H+](CCO)Cc1ccccc1)c1ccccc1 ZINC000002694627 281012019 /nfs/dbraw/zinc/01/20/19/281012019.db2.gz ITVGMNRFDVQDOW-RTWAWAEBSA-N 1 0 343.467 3.010 40 0 EGABRO CC(C)CC[C@H]1CCCN1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333401553 308858855 /nfs/dbraw/zinc/85/88/55/308858855.db2.gz YUKISHPWQXKSCL-NVXWUHKLSA-N 1 0 330.476 3.330 40 0 EGABRO C[C@@H]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H](c2ccco2)C1 ZINC000097099174 323214664 /nfs/dbraw/zinc/21/46/64/323214664.db2.gz YMWJSNXPNPLHKF-CABCVRRESA-N 1 0 345.447 3.043 40 0 EGABRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000090723575 323214742 /nfs/dbraw/zinc/21/47/42/323214742.db2.gz DRGLEBUWCZBKTR-LZJOCLMNSA-N 1 0 346.515 3.201 40 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CCOC[C@H]1COCCC12CC[NH+](Cc1ccccc1OC)CC2 ZINC000096205843 454304631 /nfs/dbraw/zinc/30/46/31/454304631.db2.gz YSGCWTWAQMGNBA-SFHVURJKSA-N 1 0 333.472 3.350 40 0 EGABRO Cc1noc(C[C@@H]2CO[C@@H]3C[N@H+](Cc4cccc5ccccc54)C[C@H]23)n1 ZINC000096216045 454306126 /nfs/dbraw/zinc/30/61/26/454306126.db2.gz LQVNYKLTTYXHNL-MISYRCLQSA-N 1 0 349.434 3.221 40 0 EGABRO c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)cc1 ZINC000096209146 454306266 /nfs/dbraw/zinc/30/62/66/454306266.db2.gz SHRXJUVRFWZELW-KURKYZTESA-N 1 0 339.439 3.027 40 0 EGABRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(F)c1)C2 ZINC000096220661 454307973 /nfs/dbraw/zinc/30/79/73/454307973.db2.gz QOORRGIOAFSQPD-ICSRJNTNSA-N 1 0 332.463 3.006 40 0 EGABRO COC(=O)N1CCC([NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000096403969 454322046 /nfs/dbraw/zinc/32/20/46/454322046.db2.gz SCHQTCRTGOTDQI-UHFFFAOYSA-N 1 0 337.470 3.192 40 0 EGABRO CC[NH+]1CCC(N(C(=O)c2ncoc2-c2cccs2)C2CC2)CC1 ZINC000096404784 454323766 /nfs/dbraw/zinc/32/37/66/454323766.db2.gz CVHDKKXGXLHPRT-UHFFFAOYSA-N 1 0 345.468 3.492 40 0 EGABRO COCc1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)no1 ZINC000096430613 454341024 /nfs/dbraw/zinc/34/10/24/454341024.db2.gz IXCQVPIFRUJFSD-AWEZNQCLSA-N 1 0 343.427 3.448 40 0 EGABRO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)C1)c1ccc(Br)s1 ZINC000096430901 454342146 /nfs/dbraw/zinc/34/21/46/454342146.db2.gz PISPJYXFQMROOO-WDEREUQCSA-N 1 0 345.306 3.024 40 0 EGABRO Cc1cc(C)n(Cc2cccc(NC(=O)N[C@@H](C)CC[NH+](C)C)c2)n1 ZINC000096434770 454346572 /nfs/dbraw/zinc/34/65/72/454346572.db2.gz RLZAGGHAYMMXAM-AWEZNQCLSA-N 1 0 343.475 3.010 40 0 EGABRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000096435905 454347619 /nfs/dbraw/zinc/34/76/19/454347619.db2.gz OZZWIVVOCJYGRT-HXUWFJFHSA-N 1 0 342.483 3.096 40 0 EGABRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@@H]1C=CCC1 ZINC000096441191 454350695 /nfs/dbraw/zinc/35/06/95/454350695.db2.gz NFYBEPOIBBYCIU-MRXNPFEDSA-N 1 0 343.471 3.132 40 0 EGABRO Cn1cc([C@@](C)(O)C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000096483940 454366026 /nfs/dbraw/zinc/36/60/26/454366026.db2.gz CNWJQROVWJVNSV-AWEZNQCLSA-N 1 0 347.768 3.090 40 0 EGABRO O[C@@H](C[NH2+]C/C=C/c1ccco1)c1cc(Cl)c2c(c1)OCCO2 ZINC000096485906 454367251 /nfs/dbraw/zinc/36/72/51/454367251.db2.gz LTYFJQULQSEMDU-KZTTYJGESA-N 1 0 335.787 3.041 40 0 EGABRO O=S1(=O)CC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000096500114 454371833 /nfs/dbraw/zinc/37/18/33/454371833.db2.gz VRSPCTFQBRVPHZ-CQSZACIVSA-N 1 0 333.428 3.017 40 0 EGABRO O=C(NCC[NH+]1CCC(Nc2ccccc2F)CC1)C1CCCC1 ZINC000097373589 454434319 /nfs/dbraw/zinc/43/43/19/454434319.db2.gz QUQFFIHOVXRRNK-UHFFFAOYSA-N 1 0 333.451 3.008 40 0 EGABRO Clc1cncc(C[NH+]2CCC3(CC(Nc4ncccn4)C3)CC2)c1 ZINC000108534944 454802500 /nfs/dbraw/zinc/80/25/00/454802500.db2.gz UZDHSPSLTQWABT-UHFFFAOYSA-N 1 0 343.862 3.382 40 0 EGABRO O=C1CC2(CN1Cc1cccnc1)CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000108533477 454802673 /nfs/dbraw/zinc/80/26/73/454802673.db2.gz YFRWLWPSVDKERO-SFHVURJKSA-N 1 0 339.483 3.252 40 0 EGABRO CCN(C)c1ccccc1NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000245344120 455282534 /nfs/dbraw/zinc/28/25/34/455282534.db2.gz XQGYULIXHHVNID-JZXOWHBKSA-N 1 0 342.487 3.091 40 0 EGABRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(Cl)cn2)CC1 ZINC000265638841 455354383 /nfs/dbraw/zinc/35/43/83/455354383.db2.gz VFELSUDPDKJJBE-UHFFFAOYSA-N 1 0 333.819 3.065 40 0 EGABRO O=C1N[C@]2(CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)Nc2ccccc21 ZINC000247960021 455660799 /nfs/dbraw/zinc/66/07/99/455660799.db2.gz PURXELHQIVUYIF-CDXJDZJCSA-N 1 0 333.435 3.080 40 0 EGABRO Cc1nc(COCC[C@H]2C[N@@H+](C3CCC3)Cc3ccnn32)cs1 ZINC000248032458 455672930 /nfs/dbraw/zinc/67/29/30/455672930.db2.gz MDHQKJMENIINMX-KRWDZBQOSA-N 1 0 332.473 3.164 40 0 EGABRO C[NH+](C)CC[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cncn21 ZINC000248082781 455680042 /nfs/dbraw/zinc/68/00/42/455680042.db2.gz DBTRCYSMJJGUDN-CQSZACIVSA-N 1 0 336.842 3.184 40 0 EGABRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(N2CCOC2=O)cc1 ZINC000248756016 455729535 /nfs/dbraw/zinc/72/95/35/455729535.db2.gz VFJODHIIHONNLJ-VIBAHUMZSA-N 1 0 342.439 3.251 40 0 EGABRO O=C(CCc1ccsc1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186577795 455797270 /nfs/dbraw/zinc/79/72/70/455797270.db2.gz OTHMOBCTYMZCNL-SFHVURJKSA-N 1 0 343.496 3.247 40 0 EGABRO CC(C)(C)OC(=O)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252487478 455810845 /nfs/dbraw/zinc/81/08/45/455810845.db2.gz YKNYBBXOYYPXBJ-MSOLQXFVSA-N 1 0 330.472 3.358 40 0 EGABRO C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@H]2[NH2+]CCO ZINC000252693366 455828197 /nfs/dbraw/zinc/82/81/97/455828197.db2.gz CYTBXDOJKXVHPC-BNNPQOHJSA-N 1 0 335.532 3.341 40 0 biogenic EGABRO CC[C@H](NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000253369689 455835308 /nfs/dbraw/zinc/83/53/08/455835308.db2.gz GTZOLZPVVSAUGA-PVAVHDDUSA-N 1 0 346.471 3.051 40 0 EGABRO C[C@@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2cnccn2)cc1 ZINC000253601461 455854633 /nfs/dbraw/zinc/85/46/33/455854633.db2.gz AXTHRHCEIFJGDH-NVXWUHKLSA-N 1 0 338.455 3.249 40 0 EGABRO C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2ccc3ncccc3c2)n1 ZINC000257285647 455883122 /nfs/dbraw/zinc/88/31/22/455883122.db2.gz PIDIJRWZENKFGH-FQEVSTJZSA-N 1 0 347.466 3.424 40 0 EGABRO CCCn1nccc1-c1cnc(CC2CC[NH+](C(C)C)CC2)cn1 ZINC000257290724 455884114 /nfs/dbraw/zinc/88/41/14/455884114.db2.gz QEBOFGBUBOEMFM-UHFFFAOYSA-N 1 0 327.476 3.413 40 0 EGABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCc2ccc(F)cc2)c1 ZINC000257314919 455889492 /nfs/dbraw/zinc/88/94/92/455889492.db2.gz UZDVLWJSKBKOTH-UHFFFAOYSA-N 1 0 335.382 3.276 40 0 EGABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2)n1 ZINC000257322669 455891432 /nfs/dbraw/zinc/89/14/32/455891432.db2.gz WGXYLDUXUFMKEC-LJQANCHMSA-N 1 0 327.403 3.194 40 0 EGABRO Cn1ccnc1C[N@@H+]1CCC[C@@H](Cc2ccnc3ccncc23)CC1 ZINC000257328790 455892519 /nfs/dbraw/zinc/89/25/19/455892519.db2.gz XHDJKPAURAFXMB-MRXNPFEDSA-N 1 0 335.455 3.208 40 0 EGABRO Cc1cc(Cl)c([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1C ZINC000195557619 455985193 /nfs/dbraw/zinc/98/51/93/455985193.db2.gz RJTAEKRQDACSGU-CYBMUJFWSA-N 1 0 344.908 3.031 40 0 EGABRO O=C(O[C@H]1CCOc2cc(F)ccc21)c1ccc(-n2ccnc2)nc1 ZINC000195576433 455986810 /nfs/dbraw/zinc/98/68/10/455986810.db2.gz UNFRHEXXVWXGMZ-HNNXBMFYSA-N 1 0 339.326 3.087 40 0 EGABRO COc1ccccc1N1CCC[C@H]([NH2+][C@H](C)c2cnn(C)c2C)C1 ZINC000221347396 456042158 /nfs/dbraw/zinc/04/21/58/456042158.db2.gz STZJFBOMRWTQRE-ZBFHGGJFSA-N 1 0 328.460 3.057 40 0 EGABRO Cc1ccc([C@H](CNC(=O)c2conc2C2CC2)[NH+]2CCCC2)cc1 ZINC000280785562 456051658 /nfs/dbraw/zinc/05/16/58/456051658.db2.gz NTUPEQMFHALQHV-SFHVURJKSA-N 1 0 339.439 3.427 40 0 EGABRO O=C1CC[C@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)CC[C@H]2N1C1CC1 ZINC000225547316 456092115 /nfs/dbraw/zinc/09/21/15/456092115.db2.gz VQBIFUIXXIUVEY-SUMWQHHRSA-N 1 0 336.838 3.454 40 0 EGABRO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Cl)s1 ZINC000225568282 456093563 /nfs/dbraw/zinc/09/35/63/456093563.db2.gz OXRCEAMUZNZAIN-LBPRGKRZSA-N 1 0 344.933 3.349 40 0 EGABRO CC[N@H+](C)Cc1cccc(CNC(=O)NCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000225573833 456094881 /nfs/dbraw/zinc/09/48/81/456094881.db2.gz LIWIJINDHCTMOK-HZPDHXFCSA-N 1 0 347.503 3.141 40 0 EGABRO O=C(c1ccccc1F)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408611516 457583457 /nfs/dbraw/zinc/58/34/57/457583457.db2.gz SSAIWROSAVTOKG-SFHVURJKSA-N 1 0 338.426 3.489 40 0 EGABRO CNC(=O)C[C@H]1Cn2cccc2CN(Cc2cccc3ccccc32)C1 ZINC000585099128 459822697 /nfs/dbraw/zinc/82/26/97/459822697.db2.gz OCJRSNCGEDFZDR-QGZVFWFLSA-N 1 0 347.462 3.409 40 0 EGABRO c1ccc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)cc1 ZINC000585105408 459825220 /nfs/dbraw/zinc/82/52/20/459825220.db2.gz WDCMEUHAWRIJCD-GOSISDBHSA-N 1 0 333.497 3.190 40 0 EGABRO CC(C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 ZINC000585109539 459825305 /nfs/dbraw/zinc/82/53/05/459825305.db2.gz BAAZANFXCKNUNM-SLFFLAALSA-N 1 0 335.451 3.238 40 0 EGABRO Cc1cccnc1Nc1cncc(C2CC[NH+](CC(C)C)CC2)n1 ZINC000585176627 459831672 /nfs/dbraw/zinc/83/16/72/459831672.db2.gz GOVVDLHDIWVNFG-UHFFFAOYSA-N 1 0 325.460 3.181 40 0 EGABRO C[NH+](C)C/C=C/C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CCO2 ZINC000585289319 459833416 /nfs/dbraw/zinc/83/34/16/459833416.db2.gz HXXYYJJHQYFAHC-MBNRZODZSA-N 1 0 342.483 3.060 40 0 EGABRO CC(C)c1cc(C[NH2+][C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)on1 ZINC000585289716 459833568 /nfs/dbraw/zinc/83/35/68/459833568.db2.gz VYBIEMHSDHAIMF-QXAKKESOSA-N 1 0 348.418 3.388 40 0 EGABRO C[NH+](C)CCc1ccc(-c2ccc(NC[C@H]3CCCO3)nc2)cc1 ZINC000629733001 460895290 /nfs/dbraw/zinc/89/52/90/460895290.db2.gz XRQRWMFYASRKRM-LJQANCHMSA-N 1 0 325.456 3.444 40 0 EGABRO CC(C)[NH2+]CC(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000659386676 461326704 /nfs/dbraw/zinc/32/67/04/461326704.db2.gz PZBVPGIFKRBGLH-OAHLLOKOSA-N 1 0 339.277 3.331 40 0 EGABRO COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@H](c2nnc(C)o2)C1 ZINC000651374673 462202003 /nfs/dbraw/zinc/20/20/03/462202003.db2.gz LEAPUNUJXNVKRC-GFCCVEGCSA-N 1 0 342.374 3.458 40 0 EGABRO COC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(C)(O)CC2)o1 ZINC000186995811 534285884 /nfs/dbraw/zinc/28/58/84/534285884.db2.gz MPLGTSXIRQSCCL-UHFFFAOYSA-N 1 0 329.396 3.080 40 0 EGABRO O=C(NCc1ccc(O)c(F)c1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684805729 550371295 /nfs/dbraw/zinc/37/12/95/550371295.db2.gz PPJOLMZCEOZUKC-MRXNPFEDSA-N 1 0 349.450 3.128 40 0 EGABRO CC[NH+](CC)CCN(C(=O)COc1ccccc1)c1ccccc1 ZINC000046085548 1291525616 /nfs/dbraw/zinc/52/56/16/1291525616.db2.gz KRFNUUVROCPTIF-UHFFFAOYSA-N 1 0 326.440 3.440 40 0 EGABRO C[NH+](C)CCCN1C[C@H](COc2ccccc2)O[C@@H]1c1ccccc1 ZINC000004023081 210101396 /nfs/dbraw/zinc/10/13/96/210101396.db2.gz MUPODHJCHSNYDG-NHCUHLMSSA-N 1 0 340.467 3.417 40 0 biogenic EGABRO COc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000040152245 213273457 /nfs/dbraw/zinc/27/34/57/213273457.db2.gz JUBWJBDSQPYENR-UHFFFAOYSA-N 1 0 345.418 3.430 40 0 EGABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000038756842 213224130 /nfs/dbraw/zinc/22/41/30/213224130.db2.gz RRNWUSWEINMQJU-GOSISDBHSA-N 1 0 336.451 3.221 40 0 EGABRO O=C(C[NH2+]Cc1ccc2c(c1)OCO2)Nc1cccc2ccccc21 ZINC000035313317 213021105 /nfs/dbraw/zinc/02/11/05/213021105.db2.gz OGXMTGPWWLPFSZ-UHFFFAOYSA-N 1 0 334.375 3.297 40 0 EGABRO Cc1ccccc1OCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000030555830 212701716 /nfs/dbraw/zinc/70/17/16/212701716.db2.gz UBANCQSFMOQTAV-UHFFFAOYSA-N 1 0 338.451 3.286 40 0 EGABRO CCn1c(C)[n+](C[C@@H](O)COc2ccc(Cl)cc2)c2ccccc21 ZINC000000316250 209533172 /nfs/dbraw/zinc/53/31/72/209533172.db2.gz DAFQCWAWFQQSAJ-MRXNPFEDSA-N 1 0 345.850 3.350 40 0 EGABRO CC(=O)Nc1ccc(Oc2cncc(C3CC[NH+](C)CC3)n2)cc1 ZINC000072361557 216166974 /nfs/dbraw/zinc/16/69/74/216166974.db2.gz GASGGVATJMRZPN-UHFFFAOYSA-N 1 0 326.400 3.037 40 0 EGABRO Cc1cccc(-c2cccc([C@@H]3CCC[N@@H+](CC(=O)N(C)C)C3)n2)c1 ZINC000072349505 216160787 /nfs/dbraw/zinc/16/07/87/216160787.db2.gz WRGNNALOABKOQN-GOSISDBHSA-N 1 0 337.467 3.325 40 0 EGABRO O=C(Nc1cnccn1)c1cccc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000072355773 216164426 /nfs/dbraw/zinc/16/44/26/216164426.db2.gz BAYAJWYHUAYCGV-QGZVFWFLSA-N 1 0 337.427 3.203 40 0 EGABRO Cc1cc(C(F)(F)F)nc(C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000072367441 216175209 /nfs/dbraw/zinc/17/52/09/216175209.db2.gz YAOMEIWBRFFVRH-ZIAGYGMSSA-N 1 0 343.393 3.287 40 0 EGABRO Cc1cc(CCC(=O)Nc2cn[nH]c2)cc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000072366851 216172786 /nfs/dbraw/zinc/17/27/86/216172786.db2.gz BQVQMHWXCGRPQH-SFHVURJKSA-N 1 0 341.459 3.230 40 0 EGABRO Cc1ccc(NC(=O)CCc2cc(C)nc([C@H]3CCC[N@H+]3C)c2)nc1 ZINC000072366964 216173470 /nfs/dbraw/zinc/17/34/70/216173470.db2.gz FERHRFVVGXQOCE-GOSISDBHSA-N 1 0 338.455 3.431 40 0 EGABRO Cc1nc(NCc2ccccc2)cc([C@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC000072387476 216187211 /nfs/dbraw/zinc/18/72/11/216187211.db2.gz NIWKKAAGYVUUMD-LJQANCHMSA-N 1 0 338.455 3.323 40 0 EGABRO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CC[NH2+]C1 ZINC000072391943 216190837 /nfs/dbraw/zinc/19/08/37/216190837.db2.gz CBPVXKQQOXNZRL-LJQANCHMSA-N 1 0 328.481 3.462 40 0 EGABRO Cn1cc([C@@H]2CN(Cc3ccccn3)C[C@H]2[NH+](C)C)c2ccccc21 ZINC000072395146 216192562 /nfs/dbraw/zinc/19/25/62/216192562.db2.gz MLLFBWDTKJJDGQ-PZJWPPBQSA-N 1 0 334.467 3.103 40 0 EGABRO Cc1cccc(NC[C@H]2CC[N@H+](CC3CCC4(CC3)OCCO4)C2)n1 ZINC000190242567 238326152 /nfs/dbraw/zinc/32/61/52/238326152.db2.gz LEEVFKWXUKBRLM-GOSISDBHSA-N 1 0 345.487 3.057 40 0 EGABRO COc1ccc(OC)c(C(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000025443500 212481158 /nfs/dbraw/zinc/48/11/58/212481158.db2.gz WRKBQRBGLJDAGH-UHFFFAOYSA-N 1 0 334.460 3.088 40 0 EGABRO Cn1nc(CC[NH2+]Cc2ccc(Br)o2)c2ccccc21 ZINC000191615110 239213991 /nfs/dbraw/zinc/21/39/91/239213991.db2.gz UNJMRBQIUBRBGF-UHFFFAOYSA-N 1 0 334.217 3.261 40 0 EGABRO Cc1ccc(/C=C/C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000023181554 212358020 /nfs/dbraw/zinc/35/80/20/212358020.db2.gz UBAHEHWSIQCQCC-CFYKVZDHSA-N 1 0 336.501 3.074 40 0 EGABRO COc1ccc([C@@H](CNC(=O)/C=C/c2cccs2)[NH+](C)C)cc1 ZINC000022414402 212295425 /nfs/dbraw/zinc/29/54/25/212295425.db2.gz PNFYMAIUVAXZND-SXSDINLZSA-N 1 0 330.453 3.189 40 0 EGABRO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@@H](Cc4cccnc4)C3)c2n1 ZINC000257255963 244280898 /nfs/dbraw/zinc/28/08/98/244280898.db2.gz KJOUUEATXLRZDO-SFHVURJKSA-N 1 0 335.455 3.196 40 0 EGABRO CCCn1nccc1-c1cncc(C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257269013 244369730 /nfs/dbraw/zinc/36/97/30/244369730.db2.gz MOFAYVPITRNAMC-INIZCTEOSA-N 1 0 327.476 3.413 40 0 EGABRO Cn1cncc1-c1cncc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000257262893 244352442 /nfs/dbraw/zinc/35/24/42/244352442.db2.gz LNMHHHNJLIHZIE-QGZVFWFLSA-N 1 0 333.439 3.257 40 0 EGABRO O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257342761 244575273 /nfs/dbraw/zinc/57/52/73/244575273.db2.gz ZQBCKJBVKCHYEV-UKRRQHHQSA-N 1 0 326.362 3.310 40 0 EGABRO CN(C)c1ncccc1C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019719787 212057361 /nfs/dbraw/zinc/05/73/61/212057361.db2.gz JWWTVFSZZVAWLY-MRXNPFEDSA-N 1 0 349.482 3.479 40 0 EGABRO CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](C)C1 ZINC000019528727 212039702 /nfs/dbraw/zinc/03/97/02/212039702.db2.gz WWNDVZCWVMALKD-FQEVSTJZSA-N 1 0 341.455 3.041 40 0 EGABRO C[C@@H]1C[C@H]1C(=O)N(C)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019462660 212030921 /nfs/dbraw/zinc/03/09/21/212030921.db2.gz XYXLQFRGOUIUPI-XTIMDLJNSA-N 1 0 342.483 3.307 40 0 EGABRO CC(C)n1nccc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000019454577 212029550 /nfs/dbraw/zinc/02/95/50/212029550.db2.gz FMRRKEDDBTVIHU-SFHVURJKSA-N 1 0 344.434 3.170 40 0 EGABRO O=C(Cc1cccnc1)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 ZINC000019373915 212024595 /nfs/dbraw/zinc/02/45/95/212024595.db2.gz LGBPQMZZZUOCLZ-KCZVDYSFSA-N 1 0 349.478 3.151 40 0 EGABRO OCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(-c2ccccc2)cc1 ZINC000019374201 212023889 /nfs/dbraw/zinc/02/38/89/212023889.db2.gz SAWXWYXFPYPCLZ-VXKWHMMOSA-N 1 0 336.479 3.385 40 0 EGABRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cccs3)cc2)CC1 ZINC000078578756 217079210 /nfs/dbraw/zinc/07/92/10/217079210.db2.gz UVEKZCAFEPHCEM-UHFFFAOYSA-N 1 0 330.453 3.151 40 0 EGABRO Cc1n[nH]cc1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000078610603 217086528 /nfs/dbraw/zinc/08/65/28/217086528.db2.gz UWKIPJZXKJXAHO-UHFFFAOYSA-N 1 0 346.862 3.014 40 0 EGABRO CC(C)(C)n1cc(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cn1 ZINC000078663124 217097021 /nfs/dbraw/zinc/09/70/21/217097021.db2.gz GOILBOANWLXRNA-HNNXBMFYSA-N 1 0 341.377 3.480 40 0 EGABRO CC(C)C[NH2+][C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000017084905 211954194 /nfs/dbraw/zinc/95/41/94/211954194.db2.gz YWOIINXTWYFLGQ-SFHVURJKSA-N 1 0 338.407 3.356 40 0 EGABRO C=Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c(C)n1 ZINC000012345372 211351828 /nfs/dbraw/zinc/35/18/28/211351828.db2.gz QGAFNKSMCJVQNZ-YOFSQIOKSA-N 1 0 341.430 3.446 40 0 EGABRO CCCc1ncc(C[N@@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012242199 211329823 /nfs/dbraw/zinc/32/98/23/211329823.db2.gz BZFBRXQMFYRJOP-HXUWFJFHSA-N 1 0 343.446 3.442 40 0 EGABRO Cc1occc1-c1nc(NCCC[NH+](C)C)ncc1-c1ccncc1 ZINC000012222852 211323926 /nfs/dbraw/zinc/32/39/26/211323926.db2.gz KSAYCDYKDNHKJC-UHFFFAOYSA-N 1 0 337.427 3.471 40 0 EGABRO OC1(Cn2cnc3ccccc32)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000012128175 211299317 /nfs/dbraw/zinc/29/93/17/211299317.db2.gz MWUDABGWYYLRFB-UHFFFAOYSA-N 1 0 339.414 3.203 40 0 EGABRO c1cc(C[NH+]2CCC3(C[C@@H](Oc4ccccn4)CO3)CC2)cs1 ZINC000096106956 218599024 /nfs/dbraw/zinc/59/90/24/218599024.db2.gz IGXSPZKSZNLWNH-MRXNPFEDSA-N 1 0 330.453 3.346 40 0 EGABRO CC(C)[C@H](C[NH2+]C1CCN(CC(F)F)CC1)Nc1ccccc1 ZINC000096477258 218854560 /nfs/dbraw/zinc/85/45/60/218854560.db2.gz VOYONSRGMGHULW-KRWDZBQOSA-N 1 0 325.447 3.442 40 0 EGABRO O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1 ZINC000004966636 210341498 /nfs/dbraw/zinc/34/14/98/210341498.db2.gz ADKLHCXOGQUAEH-UHFFFAOYSA-N 1 0 340.398 3.359 40 0 EGABRO CCOCCCNC(=O)C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000116877356 221002632 /nfs/dbraw/zinc/00/26/32/221002632.db2.gz AIDAGAUIDVEIIJ-KRWDZBQOSA-N 1 0 332.488 3.045 40 0 EGABRO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019078921 287120616 /nfs/dbraw/zinc/12/06/16/287120616.db2.gz MFWWDSZBHBAYTR-SJLPKXTDSA-N 1 0 348.462 3.460 40 0 EGABRO C[NH+](C)[C@H](CNC(=O)C1=Cc2ccccc2OC1)c1cccc(F)c1 ZINC000032729774 273812779 /nfs/dbraw/zinc/81/27/79/273812779.db2.gz IHRIVRNJCHIHSD-GOSISDBHSA-N 1 0 340.398 3.021 40 0 EGABRO COc1cccc(CN2Cc3cc(C)ccc3OC[C@@H]2C[NH+](C)C)c1 ZINC000019219388 274145827 /nfs/dbraw/zinc/14/58/27/274145827.db2.gz AUVQCUPORIJMMK-IBGZPJMESA-N 1 0 340.467 3.328 40 0 EGABRO C[C@H]1C[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CN1c1ccccc1 ZINC000085330552 274624337 /nfs/dbraw/zinc/62/43/37/274624337.db2.gz XBRDIAKRCDIBDP-WSZRMNBISA-N 1 0 328.481 3.181 40 0 EGABRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCc2nnc3n2CCCCC3)C1 ZINC000129231378 279439487 /nfs/dbraw/zinc/43/94/87/279439487.db2.gz MCWBQMMZCDVAIU-OLZOCXBDSA-N 1 0 330.398 3.258 40 0 EGABRO C[C@@H]1C[N@@H+](C[C@@H](O)COC2CCC(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000013305068 297011647 /nfs/dbraw/zinc/01/16/47/297011647.db2.gz DFRVEFDIWXCZKT-IKKRTKPYSA-N 1 0 327.509 3.078 40 0 EGABRO Cc1csc([C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C2CC2)n1 ZINC000074667076 302432371 /nfs/dbraw/zinc/43/23/71/302432371.db2.gz CBQHJYSJRUVNLC-CVEARBPZSA-N 1 0 348.516 3.172 40 0 EGABRO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2C1 ZINC000333285461 308855635 /nfs/dbraw/zinc/85/56/35/308855635.db2.gz IHPVSMSGNGLXSN-WMLDXEAASA-N 1 0 342.468 3.328 40 0 EGABRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc2cc(C)ccc2s1 ZINC000528497216 313104425 /nfs/dbraw/zinc/10/44/25/313104425.db2.gz ODKYZHUYZKCRKZ-AWEZNQCLSA-N 1 0 331.485 3.485 40 0 EGABRO COC[C@H](C)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000097103908 323215227 /nfs/dbraw/zinc/21/52/27/323215227.db2.gz GAEPOCZGJCIDPY-CYBMUJFWSA-N 1 0 342.277 3.327 40 0 EGABRO C[C@H]1OCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000097375281 323215460 /nfs/dbraw/zinc/21/54/60/323215460.db2.gz ZHRIZVYGYAKDMM-IIBYNOLFSA-N 1 0 348.450 3.260 40 0 EGABRO Cc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccc2ccccc2c1 ZINC000000307256 452558374 /nfs/dbraw/zinc/55/83/74/452558374.db2.gz UQFHAITUQLTGLN-IBGZPJMESA-N 1 0 347.438 3.367 40 0 EGABRO O=C(SCC[NH+]1CCCC1)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000006581979 452957420 /nfs/dbraw/zinc/95/74/20/452957420.db2.gz LFSDSEBODSFFKT-LJQANCHMSA-N 1 0 333.497 3.420 40 0 EGABRO Cc1cc(C)nc(SCCC[NH2+]Cc2ccc3c(c2)OCO3)n1 ZINC000006678429 452969076 /nfs/dbraw/zinc/96/90/76/452969076.db2.gz QJIKDCFPPQZSNC-UHFFFAOYSA-N 1 0 331.441 3.094 40 0 EGABRO CC[C@@H](C)[NH2+]Cc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007540625 453085909 /nfs/dbraw/zinc/08/59/09/453085909.db2.gz NAHHZYHUSDEPAC-GFCCVEGCSA-N 1 0 345.395 3.408 40 0 EGABRO COc1ccc([C@@H](CNc2ncnc3sccc32)[NH+](C)C)cc1 ZINC000008063236 453156028 /nfs/dbraw/zinc/15/60/28/453156028.db2.gz NCKGMZCMILBDJA-OAHLLOKOSA-N 1 0 328.441 3.415 40 0 EGABRO CCOCCC[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000008253129 453182665 /nfs/dbraw/zinc/18/26/65/453182665.db2.gz LAYSGQZCJSNYKA-UHFFFAOYSA-N 1 0 346.265 3.373 40 0 EGABRO O[C@]1(c2cccnc2)CCC[C@H]2C[N@H+](Cc3c(F)cccc3F)C[C@@H]21 ZINC000012337141 453356001 /nfs/dbraw/zinc/35/60/01/453356001.db2.gz SWBIKSIPDQMZTB-VHFSOBRXSA-N 1 0 344.405 3.480 40 0 EGABRO Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000012811897 453408279 /nfs/dbraw/zinc/40/82/79/453408279.db2.gz YPSPBVUIYPMYOE-UHFFFAOYSA-N 1 0 345.491 3.169 40 0 EGABRO COc1ccc2c(C[N@H+](C)CCOc3ccccc3)cc(=O)oc2c1 ZINC000012997182 453436954 /nfs/dbraw/zinc/43/69/54/453436954.db2.gz XIUOWXOXSXLXBM-UHFFFAOYSA-N 1 0 339.391 3.312 40 0 EGABRO COc1ccc([C@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCC3)cc1 ZINC000015953393 453589733 /nfs/dbraw/zinc/58/97/33/453589733.db2.gz DNNAXCFXMCTBGR-OAQYLSRUSA-N 1 0 337.443 3.264 40 0 EGABRO COc1ccccc1-c1nnc2n1[C@H]1C[N@H+](C3CCCC3)C[C@H]1CC2 ZINC000019571917 453657676 /nfs/dbraw/zinc/65/76/76/453657676.db2.gz AMKFYQIDAMEQCZ-PBHICJAKSA-N 1 0 338.455 3.315 40 0 EGABRO CCC[N@@H+]1C[C@H](C[S@@](C)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000022065718 453686256 /nfs/dbraw/zinc/68/62/56/453686256.db2.gz WOIHSNDTPKFAJW-WAUXWYCISA-N 1 0 330.497 3.287 40 0 in-vitro EGABRO C[C@@H](Oc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189822 453727000 /nfs/dbraw/zinc/72/70/00/453727000.db2.gz KOUOGRUNXQJGMJ-QGZVFWFLSA-N 1 0 338.451 3.366 40 0 EGABRO OCC[NH+](CCO)CCCc1ccc(CSc2ccccc2)cc1 ZINC000034189813 453919066 /nfs/dbraw/zinc/91/90/66/453919066.db2.gz PLYSFHWININMJS-UHFFFAOYSA-N 1 0 345.508 3.198 40 0 EGABRO C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@H]1CCOC1 ZINC000083243431 453945542 /nfs/dbraw/zinc/94/55/42/453945542.db2.gz OCUNZHGIMLEGFR-GFCCVEGCSA-N 1 0 330.350 3.002 40 0 EGABRO C[NH+](C)C1(CNC(=O)c2cccc(Br)c2)CCCC1 ZINC000042762679 454024516 /nfs/dbraw/zinc/02/45/16/454024516.db2.gz AJFFQTYPHBBMSU-UHFFFAOYSA-N 1 0 325.250 3.053 40 0 EGABRO CC(C)C[NH+]1CCN(C(=O)c2c3c(nc4ccccc42)CCC3)CC1 ZINC000043008776 454036519 /nfs/dbraw/zinc/03/65/19/454036519.db2.gz LEAANRSACLSIFJ-UHFFFAOYSA-N 1 0 337.467 3.137 40 0 EGABRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000095422330 454208356 /nfs/dbraw/zinc/20/83/56/454208356.db2.gz CUIUHKVIQKFLJP-ZDUSSCGKSA-N 1 0 338.498 3.303 40 0 EGABRO C[C@@H]1C[C@@H](OC[C@H](O)C[N@H+](CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000095532670 454230700 /nfs/dbraw/zinc/23/07/00/454230700.db2.gz FKQLTXLKHRPMII-MISYRCLQSA-N 1 0 349.515 3.073 40 0 EGABRO O=C(c1cccs1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096046963 454270009 /nfs/dbraw/zinc/27/00/09/454270009.db2.gz YSHHDNCVYCXYSV-IBGZPJMESA-N 1 0 341.480 3.271 40 0 EGABRO COc1ccc(CN2CC3(C2)CC[N@H+](Cc2ccsc2)C3)cc1 ZINC000096046487 454270411 /nfs/dbraw/zinc/27/04/11/454270411.db2.gz COKRPUXYQCOQIE-UHFFFAOYSA-N 1 0 328.481 3.465 40 0 EGABRO c1cc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cs1 ZINC000096048243 454271494 /nfs/dbraw/zinc/27/14/94/454271494.db2.gz RYGMJMVSWIKWKK-ROUUACIJSA-N 1 0 330.453 3.346 40 0 EGABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)co1 ZINC000096057063 454274020 /nfs/dbraw/zinc/27/40/20/454274020.db2.gz DLQBAGIQYTWPDK-MJGOQNOKSA-N 1 0 328.412 3.125 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)co1 ZINC000096057066 454274223 /nfs/dbraw/zinc/27/42/23/454274223.db2.gz DLQBAGIQYTWPDK-PKOBYXMFSA-N 1 0 328.412 3.125 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC[C@H](C(=O)N4CCCC4)O3)CC2)s1 ZINC000096061234 454276004 /nfs/dbraw/zinc/27/60/04/454276004.db2.gz MLXVVDWQKWMWKP-QGZVFWFLSA-N 1 0 348.512 3.193 40 0 EGABRO C[C@@H]1C[N@H+](Cc2cccs2)CC[C@@]12CC[C@H](C(=O)N1CCCC1)O2 ZINC000096061310 454277057 /nfs/dbraw/zinc/27/70/57/454277057.db2.gz VLRRGWVMGZTWDZ-SUMDDJOVSA-N 1 0 348.512 3.130 40 0 EGABRO O=C(c1ccc2[nH]ccc2c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccn1 ZINC000096064023 454277720 /nfs/dbraw/zinc/27/77/20/454277720.db2.gz CAGXYVYNIDQWIP-VQTJNVASSA-N 1 0 346.434 3.052 40 0 EGABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)co1 ZINC000096065135 454278034 /nfs/dbraw/zinc/27/80/34/454278034.db2.gz LWRLQBVZLISGFY-WOJBJXKFSA-N 1 0 342.439 3.263 40 0 EGABRO c1csc(C[N@H+]2CC[C@@]3(C2)COCCN(Cc2ccoc2)C3)c1 ZINC000096087617 454280061 /nfs/dbraw/zinc/28/00/61/454280061.db2.gz QKQRLVGGYGBEPI-SFHVURJKSA-N 1 0 332.469 3.066 40 0 EGABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3cccnc3)C[C@@H]21 ZINC000096100369 454282841 /nfs/dbraw/zinc/28/28/41/454282841.db2.gz XUBGLXFZNBXZMJ-UFYCRDLUSA-N 1 0 335.451 3.332 40 0 EGABRO c1cc(C[NH+]2CCC3(CO[C@@H](COCC4CCOCC4)C3)CC2)co1 ZINC000096106064 454283560 /nfs/dbraw/zinc/28/35/60/454283560.db2.gz SCKJYABAGFTROS-LJQANCHMSA-N 1 0 349.471 3.094 40 0 EGABRO Cc1oncc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccs1)C2 ZINC000096158014 454293876 /nfs/dbraw/zinc/29/38/76/454293876.db2.gz GKZSAHUYEUOXDK-SFHVURJKSA-N 1 0 345.468 3.173 40 0 EGABRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3Cc2ccncc2)o1 ZINC000096186394 454299876 /nfs/dbraw/zinc/29/98/76/454299876.db2.gz PCBKQUHZFKVKDV-OALUTQOASA-N 1 0 339.439 3.003 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccncc2)s1 ZINC000096199909 454303117 /nfs/dbraw/zinc/30/31/17/454303117.db2.gz CVBQGGBFGYTDCM-KRWDZBQOSA-N 1 0 341.480 3.090 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)s1 ZINC000096239146 454309918 /nfs/dbraw/zinc/30/99/18/454309918.db2.gz KOOAVHGAMYWYIA-GOSISDBHSA-N 1 0 327.453 3.081 40 0 EGABRO CSc1ccc(C(=O)N[C@H]2c3ccccc3[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000096268365 454313995 /nfs/dbraw/zinc/31/39/95/454313995.db2.gz OWMTZRYJLWMLND-XEZPLFJOSA-N 1 0 330.478 3.258 40 0 EGABRO CCN(C)c1ccccc1NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000096421969 454336250 /nfs/dbraw/zinc/33/62/50/454336250.db2.gz XQGYULIXHHVNID-LZLYRXPVSA-N 1 0 342.487 3.091 40 0 EGABRO COc1ccsc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096432970 454343454 /nfs/dbraw/zinc/34/34/54/454343454.db2.gz FKEPDRSEXPUFSG-MRXNPFEDSA-N 1 0 344.480 3.351 40 0 EGABRO Cc1cnc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000096433761 454344592 /nfs/dbraw/zinc/34/45/92/454344592.db2.gz MAYCGGIKSWPQJE-MRXNPFEDSA-N 1 0 344.484 3.437 40 0 EGABRO CSc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000096435401 454346887 /nfs/dbraw/zinc/34/68/87/454346887.db2.gz WRJISHMSJNQJDR-GFCCVEGCSA-N 1 0 325.453 3.353 40 0 EGABRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H](O)c1ccsc1 ZINC000096437272 454348312 /nfs/dbraw/zinc/34/83/12/454348312.db2.gz URMHEWFCJDLUCO-HNNXBMFYSA-N 1 0 344.436 3.019 40 0 EGABRO C[N@H+](Cc1csc(-c2ccccn2)n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000096443453 454352018 /nfs/dbraw/zinc/35/20/18/454352018.db2.gz LMHLJPDKPLJGFO-IMJJTQAJSA-N 1 0 329.469 3.450 40 0 EGABRO CC(C)[N@H+](C)CC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000096473946 454361779 /nfs/dbraw/zinc/36/17/79/454361779.db2.gz RLDSYULGAVUMOI-GOSISDBHSA-N 1 0 331.847 3.281 40 0 EGABRO CC(C)[N@H+](C)CC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000096473944 454362102 /nfs/dbraw/zinc/36/21/02/454362102.db2.gz RLDSYULGAVUMOI-SFHVURJKSA-N 1 0 331.847 3.281 40 0 EGABRO COc1cc(OC)cc(N2CCC([NH2+][C@H](C)c3ccccn3)CC2)c1 ZINC000096487618 454367430 /nfs/dbraw/zinc/36/74/30/454367430.db2.gz HMOVSRNFVOKKKW-OAHLLOKOSA-N 1 0 341.455 3.418 40 0 EGABRO Cc1noc(C)c1CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000096496265 454370727 /nfs/dbraw/zinc/37/07/27/454370727.db2.gz OWEYKNWXNWZSLC-MQVJKMGUSA-N 1 0 349.475 3.354 40 0 EGABRO O[C@@H](c1nccn1Cc1nccn1Cc1ccccc1)c1ccccc1 ZINC000154815692 454932268 /nfs/dbraw/zinc/93/22/68/454932268.db2.gz RAKMRVXHMQTEKJ-HXUWFJFHSA-N 1 0 344.418 3.258 40 0 EGABRO CCC[C@H]([NH2+][C@@H](C)c1c[nH]nc1C)C(=O)N1CCc2sccc2C1 ZINC000180407198 455164869 /nfs/dbraw/zinc/16/48/69/455164869.db2.gz BCMQNJNIUNOMKN-LRDDRELGSA-N 1 0 346.500 3.184 40 0 EGABRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Nc1c(F)cc(F)cc1Cl ZINC000245289788 455281571 /nfs/dbraw/zinc/28/15/71/455281571.db2.gz FDJVTCHRMWLIHS-TVQRCGJNSA-N 1 0 331.794 3.422 40 0 EGABRO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCN1c1cccnc1 ZINC000249170915 455746024 /nfs/dbraw/zinc/74/60/24/455746024.db2.gz BFCXCFUYBGZLRK-UMVBOHGHSA-N 1 0 341.377 3.288 40 0 EGABRO CO[C@@H](C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 ZINC000252488336 455810811 /nfs/dbraw/zinc/81/08/11/455810811.db2.gz IPIYFOPSGGSSEO-WMZOPIPTSA-N 1 0 332.488 3.248 40 0 EGABRO Brc1ccc([C@H]2CCC[N@@H+]2CCC2OCCO2)s1 ZINC000252490922 455812064 /nfs/dbraw/zinc/81/20/64/455812064.db2.gz LEXYFNQEKJYDTK-SNVBAGLBSA-N 1 0 332.263 3.411 40 0 EGABRO c1cnc(OC2CCC([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cn1 ZINC000194188040 455813064 /nfs/dbraw/zinc/81/30/64/455813064.db2.gz DBCMPBMRNHWUGM-CBDOWRELSA-N 1 0 343.471 3.104 40 0 EGABRO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000253418506 455842920 /nfs/dbraw/zinc/84/29/20/455842920.db2.gz SISXWYHCAQGLEF-BTHPGYMESA-N 1 0 344.499 3.097 40 0 EGABRO CCC[C@@]12CCCN1C(=O)N(C1CC[NH+](C3CCCCC3)CC1)C2=O ZINC000253430796 455847994 /nfs/dbraw/zinc/84/79/94/455847994.db2.gz OECSDUFRNWMDEN-FQEVSTJZSA-N 1 0 347.503 3.380 40 0 EGABRO CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000257276426 455879869 /nfs/dbraw/zinc/87/98/69/455879869.db2.gz NTSIIHZMJONEDW-GFCCVEGCSA-N 1 0 344.484 3.125 40 0 EGABRO CC(C)Nc1[nH]nc2nc(C3CC[NH2+]CC3)cc(C(F)(F)F)c21 ZINC000257287107 455883217 /nfs/dbraw/zinc/88/32/17/455883217.db2.gz POOCDWWYGSLBSY-UHFFFAOYSA-N 1 0 327.354 3.264 40 0 EGABRO Cn1cc(CCC(=O)N2CC[C@@H]3[C@H]2CCCC[N@@H+]3C)c2ccccc21 ZINC000257307402 455887282 /nfs/dbraw/zinc/88/72/82/455887282.db2.gz SYMQVJWWTSQSJE-WOJBJXKFSA-N 1 0 339.483 3.196 40 0 EGABRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)c2)cn1 ZINC000257318477 455890100 /nfs/dbraw/zinc/89/01/00/455890100.db2.gz VOCFCPSNEPSQEF-QGZVFWFLSA-N 1 0 334.427 3.291 40 0 EGABRO Cc1csc([C@@H](C)[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000195566390 455986232 /nfs/dbraw/zinc/98/62/32/455986232.db2.gz IDBWXOQZXQLZLH-WCQYABFASA-N 1 0 343.452 3.177 40 0 EGABRO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1cccc(Cl)c1 ZINC000225568021 456093594 /nfs/dbraw/zinc/09/35/94/456093594.db2.gz IGJRJSFVADTGMA-MRXNPFEDSA-N 1 0 338.904 3.287 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ncccc1OC ZINC000225585223 456094704 /nfs/dbraw/zinc/09/47/04/456094704.db2.gz SLVJZSDLIZYVEG-CQSZACIVSA-N 1 0 336.505 3.031 40 0 EGABRO COc1ccc(C(=O)NCC2CC[NH+](C)CC2)c(OC2CCCC2)c1 ZINC000225628917 456099534 /nfs/dbraw/zinc/09/95/34/456099534.db2.gz LPIAJSQWKGRZCE-UHFFFAOYSA-N 1 0 346.471 3.088 40 0 EGABRO CSc1ccccc1CN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000272901228 456106315 /nfs/dbraw/zinc/10/63/15/456106315.db2.gz JQZFJFIIPFYDMM-LBPRGKRZSA-N 1 0 332.391 3.004 40 0 EGABRO CC[C@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2c(C)noc2C)CC1 ZINC000585099894 459822831 /nfs/dbraw/zinc/82/28/31/459822831.db2.gz VBTZSIZKKYLBQH-IFXJQAMLSA-N 1 0 333.476 3.437 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CCF)CC2)cc1 ZINC000585100809 459822908 /nfs/dbraw/zinc/82/29/08/459822908.db2.gz XHFGVTIGMBYCKZ-LJQANCHMSA-N 1 0 334.435 3.012 40 0 EGABRO Cc1nc(CN2C(=O)CC[C@]23CCC[N@H+](CC2CC2)CC3)cs1 ZINC000585100591 459822941 /nfs/dbraw/zinc/82/29/41/459822941.db2.gz OWCQZGSVVMNAIV-SFHVURJKSA-N 1 0 333.501 3.209 40 0 EGABRO Cc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCCC1)O2 ZINC000585103061 459824203 /nfs/dbraw/zinc/82/42/03/459824203.db2.gz OTODZEALLJINTG-GHTZIAJQSA-N 1 0 342.483 3.245 40 0 EGABRO Cc1ccc(C)c(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC(C)C)C3)C2)c1 ZINC000585103940 459824314 /nfs/dbraw/zinc/82/43/14/459824314.db2.gz HKKWHYZTWIVVSY-NRFANRHFSA-N 1 0 344.499 3.010 40 0 EGABRO CCCC(CCC)[N@@H+]1CCOC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585287845 459833402 /nfs/dbraw/zinc/83/34/02/459833402.db2.gz TUTMADXBZORMRE-IBGZPJMESA-N 1 0 339.451 3.237 40 0 EGABRO CSCc1cccc(CNC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000189628009 533854861 /nfs/dbraw/zinc/85/48/61/533854861.db2.gz BNNUMCRMTUUQGI-UHFFFAOYSA-N 1 0 335.517 3.222 40 0 EGABRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cc1noc2ccccc21 ZINC000041579444 517639259 /nfs/dbraw/zinc/63/92/59/517639259.db2.gz FWKWGNWLOHWRIE-UHFFFAOYSA-N 1 0 331.460 3.197 40 0 EGABRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Br ZINC000152793441 534412211 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CC(C)c1ccc(OCCOC[C@H](O)C[NH2+]C2CCCCC2)cc1 ZINC000040373350 213293165 /nfs/dbraw/zinc/29/31/65/213293165.db2.gz BRSHGFHCIQUCPS-LJQANCHMSA-N 1 0 335.488 3.489 40 0 EGABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1OCc1ccccn1 ZINC000072324655 216151646 /nfs/dbraw/zinc/15/16/46/216151646.db2.gz PSALXLDQUOSPMJ-XLIONFOSSA-N 1 0 337.467 3.329 40 0 EGABRO COc1ccc(CN(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)ccn2)cc1 ZINC000072369351 216176196 /nfs/dbraw/zinc/17/61/96/216176196.db2.gz TVHDQKLPHQGTAU-LJQANCHMSA-N 1 0 339.439 3.129 40 0 EGABRO Clc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000072393829 216193132 /nfs/dbraw/zinc/19/31/32/216193132.db2.gz QVMLEOXPOLELDG-CYBMUJFWSA-N 1 0 327.819 3.386 40 0 EGABRO C[NH+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2)C1 ZINC000129778760 223091278 /nfs/dbraw/zinc/09/12/78/223091278.db2.gz JYFRJYLLCFVBIL-AWEZNQCLSA-N 1 0 337.895 3.211 40 0 EGABRO Cc1cccc(NC[C@@H]2CC[N@H+](CC3CCC4(CC3)OCCO4)C2)n1 ZINC000190242553 238326801 /nfs/dbraw/zinc/32/68/01/238326801.db2.gz LEEVFKWXUKBRLM-SFHVURJKSA-N 1 0 345.487 3.057 40 0 EGABRO Cc1ccc(NC(=O)CSCc2ccncc2)c(C[NH+](C)C)c1 ZINC000072840989 216314802 /nfs/dbraw/zinc/31/48/02/216314802.db2.gz ZRHZCQTWKWLVLW-UHFFFAOYSA-N 1 0 329.469 3.324 40 0 EGABRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cncnc2)cc1)C(=O)NC(C)(C)C ZINC000073411634 216383881 /nfs/dbraw/zinc/38/38/81/216383881.db2.gz QSXVXFSKBQSHQW-ZIAGYGMSSA-N 1 0 326.444 3.097 40 0 EGABRO CCOc1ccc(C(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023128028 212352378 /nfs/dbraw/zinc/35/23/78/212352378.db2.gz SFTOFSAJVOJUFM-UHFFFAOYSA-N 1 0 342.439 3.320 40 0 EGABRO CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236699763 242325579 /nfs/dbraw/zinc/32/55/79/242325579.db2.gz GHLHRWYXBUCMNQ-DQXYTYHJSA-N 1 0 332.463 3.430 40 0 EGABRO CC[NH+]1CCN(CCC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000021486250 212226178 /nfs/dbraw/zinc/22/61/78/212226178.db2.gz MXDPKQDJWVJQNG-UHFFFAOYSA-N 1 0 337.467 3.320 40 0 EGABRO CC(C)OCCCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020488775 212138326 /nfs/dbraw/zinc/13/83/26/212138326.db2.gz ABZQQLPTRNRLBA-QGZVFWFLSA-N 1 0 332.488 3.463 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(CNC(C)=O)n2)cc1 ZINC000257210737 244149044 /nfs/dbraw/zinc/14/90/44/244149044.db2.gz BVXUKQRVLZZSNM-HXUWFJFHSA-N 1 0 339.439 3.063 40 0 EGABRO Cc1ccccc1CNC(=O)c1ccccc1-n1cc(C[NH+](C)C)cn1 ZINC000257227948 244208269 /nfs/dbraw/zinc/20/82/69/244208269.db2.gz FRRQWQXRMYUALA-UHFFFAOYSA-N 1 0 348.450 3.172 40 0 EGABRO Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)s1 ZINC000257231288 244213633 /nfs/dbraw/zinc/21/36/33/244213633.db2.gz GGAOPQDUUACSBZ-AWEZNQCLSA-N 1 0 344.484 3.159 40 0 EGABRO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C)s2)ccn1 ZINC000257268390 244366245 /nfs/dbraw/zinc/36/62/45/244366245.db2.gz MLLYUNGGVTVMKP-SFHVURJKSA-N 1 0 329.469 3.425 40 0 EGABRO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12Cc1ccccc1C2=O ZINC000019530470 212039171 /nfs/dbraw/zinc/03/91/71/212039171.db2.gz WWALFQLIWFZCOO-KNQAVFIVSA-N 1 0 349.430 3.107 40 0 EGABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1nc2ccccc2[nH]1)Cc1ccccn1 ZINC000019527145 212037491 /nfs/dbraw/zinc/03/74/91/212037491.db2.gz WPFZJUAERDKAKT-GOSISDBHSA-N 1 0 349.482 3.444 40 0 EGABRO C[C@H]1C[C@H]1C(=O)N(C)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019462662 212030927 /nfs/dbraw/zinc/03/09/27/212030927.db2.gz XYXLQFRGOUIUPI-JJXOGSGTSA-N 1 0 342.483 3.307 40 0 EGABRO O=C(NC1CC1)c1cc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)no1 ZINC000019293830 212012883 /nfs/dbraw/zinc/01/28/83/212012883.db2.gz OJDCRMUWSFDMJO-CQSZACIVSA-N 1 0 343.402 3.086 40 0 EGABRO Cn1nc([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)c2nccnc21 ZINC000019289381 212011607 /nfs/dbraw/zinc/01/16/07/212011607.db2.gz BHEPNINYFXWGKC-CYBMUJFWSA-N 1 0 343.381 3.021 40 0 EGABRO Cn1c(C(=O)N2CCC[C@@H](C[NH+](C)C)C2)cc2cc(Cl)ccc21 ZINC000019289734 212011448 /nfs/dbraw/zinc/01/14/48/212011448.db2.gz NYQICGBYNIYWOM-ZDUSSCGKSA-N 1 0 333.863 3.246 40 0 EGABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)cc(=O)[nH]1 ZINC000019285220 212010821 /nfs/dbraw/zinc/01/08/21/212010821.db2.gz NPLGFLKLKSMENZ-GFCCVEGCSA-N 1 0 338.238 3.375 40 0 EGABRO Cc1nc([C@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)cc(=O)[nH]1 ZINC000019285260 212009867 /nfs/dbraw/zinc/00/98/67/212009867.db2.gz AGWBORIBHBBASL-NSHDSACASA-N 1 0 338.238 3.375 40 0 EGABRO COc1ccc(C[NH2+]C[C@H](O)c2cccc(F)c2)c(Cl)c1OC ZINC000078656899 217097120 /nfs/dbraw/zinc/09/71/20/217097120.db2.gz LDRRLJCLTQTCJT-AWEZNQCLSA-N 1 0 339.794 3.320 40 0 EGABRO C[C@H]([NH2+]C/C=C/c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000078979860 217164264 /nfs/dbraw/zinc/16/42/64/217164264.db2.gz UCHZHHLJMMPEND-VSGCLNPGSA-N 1 0 330.453 3.422 40 0 EGABRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1COc2ccccc21 ZINC000079309497 217205634 /nfs/dbraw/zinc/20/56/34/217205634.db2.gz YXJLKIUQFQFLGW-INIZCTEOSA-N 1 0 336.391 3.358 40 0 EGABRO CC1(C(=O)OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000079355806 217214167 /nfs/dbraw/zinc/21/41/67/217214167.db2.gz KNHNASAWIQZNQG-GOSISDBHSA-N 1 0 331.456 3.259 40 0 EGABRO COc1ccc([C@H]2[C@H](CNC(=O)c3ccoc3)CCC[N@@H+]2C)cc1 ZINC000079358333 217215362 /nfs/dbraw/zinc/21/53/62/217215362.db2.gz KHUKBMRDWWBWLO-YJBOKZPZSA-N 1 0 328.412 3.101 40 0 EGABRO C=Cn1cc(C[N@@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)c(C)n1 ZINC000012188830 211315707 /nfs/dbraw/zinc/31/57/07/211315707.db2.gz PTZNOQQLVRKPJB-IBGZPJMESA-N 1 0 329.419 3.305 40 0 EGABRO Cc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1-c1ncco1 ZINC000092929977 218181503 /nfs/dbraw/zinc/18/15/03/218181503.db2.gz XWBXTFFWTFBVKN-GOEBONIOSA-N 1 0 340.427 3.350 40 0 EGABRO COc1ccc(OC(F)F)c(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000093644344 218238524 /nfs/dbraw/zinc/23/85/24/218238524.db2.gz BLHJUEGOKIKWBM-GXTWGEPZSA-N 1 0 328.403 3.211 40 0 EGABRO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1ccc([S@](C)=O)cc1 ZINC000095423593 218366358 /nfs/dbraw/zinc/36/63/58/218366358.db2.gz YIFAOOGNRFZBDY-SFDCACGMSA-N 1 0 339.407 3.432 40 0 EGABRO Cc1ccc(NC(=O)COC(=O)c2ccn3c[nH+]cc3c2)c(Cl)c1 ZINC000095453763 218397308 /nfs/dbraw/zinc/39/73/08/218397308.db2.gz XGOYOEDHROXYNI-UHFFFAOYSA-N 1 0 343.770 3.092 40 0 EGABRO C[NH+](C)[C@H]1CCO[C@]2(CCN(C(=O)c3ccc4ccccc4c3)C2)C1 ZINC000096110902 218606787 /nfs/dbraw/zinc/60/67/87/218606787.db2.gz ZXSBOBJQGVYYRZ-PZJWPPBQSA-N 1 0 338.451 3.165 40 0 EGABRO O=C1NCCCC12CC[NH+](Cc1ccccc1N1CCCCC1)CC2 ZINC000012132393 296365043 /nfs/dbraw/zinc/36/50/43/296365043.db2.gz IVQNWRSVEGQQCD-UHFFFAOYSA-N 1 0 341.499 3.169 40 0 EGABRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cccc(-n2ccnc2)c1 ZINC000096478791 218854962 /nfs/dbraw/zinc/85/49/62/218854962.db2.gz YYWNTCGKVWMCKR-ZFWWWQNUSA-N 1 0 338.377 3.160 40 0 EGABRO CN(C)[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)c1ccc(Cl)cc1 ZINC000096478899 218855126 /nfs/dbraw/zinc/85/51/26/218855126.db2.gz ZPSHTPJADUXCMJ-INIZCTEOSA-N 1 0 345.865 3.262 40 0 EGABRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000097379791 219020427 /nfs/dbraw/zinc/02/04/27/219020427.db2.gz JOUJQYFLIIHUSD-UONOGXRCSA-N 1 0 325.840 3.270 40 0 EGABRO CC(C)(C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1)N1CCOCC1 ZINC000225577912 257654936 /nfs/dbraw/zinc/65/49/36/257654936.db2.gz BAFYWHXORZLTGP-LJQANCHMSA-N 1 0 343.446 3.011 40 0 EGABRO c1ccc([C@H]([NH2+]CCc2nnc3n2CCCCC3)c2ccccn2)cc1 ZINC000180051979 275068605 /nfs/dbraw/zinc/06/86/05/275068605.db2.gz WNGFDAXZSCVDLA-NRFANRHFSA-N 1 0 347.466 3.321 40 0 EGABRO Cc1ccc2c(c1)CN(Cc1cccc(F)c1)[C@H](C[NH+](C)C)CO2 ZINC000019219382 281071019 /nfs/dbraw/zinc/07/10/19/281071019.db2.gz RXJBWSOUBUCEQV-LJQANCHMSA-N 1 0 328.431 3.459 40 0 EGABRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000090541501 281349718 /nfs/dbraw/zinc/34/97/18/281349718.db2.gz MZEFXJUDTNUWJP-FRQCXROJSA-N 1 0 348.512 3.356 40 0 EGABRO COc1ccc2c(c1OC)[C@@]1(CC[NH+](C)C)C[C@@H](O)CC[C@@H]1C=C2 ZINC000005120740 295277833 /nfs/dbraw/zinc/27/78/33/295277833.db2.gz DZSOVMFSBOCQJV-FTRWYGJKSA-N 1 0 331.456 3.081 40 0 EGABRO COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000097234427 323215195 /nfs/dbraw/zinc/21/51/95/323215195.db2.gz GZCPEZKKRYGDDM-LZWOXQAQSA-N 1 0 349.450 3.021 40 0 EGABRO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000180847510 455255307 /nfs/dbraw/zinc/25/53/07/455255307.db2.gz ZVKMZVYRPYPLMF-ACJLOTCBSA-N 1 0 348.878 3.096 40 0 EGABRO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)C1 ZINC000239762151 455262797 /nfs/dbraw/zinc/26/27/97/455262797.db2.gz CKYQPZIJXBUFOO-WIYYLYMNSA-N 1 0 349.478 3.335 40 0 EGABRO COc1ccc2c(c1OC)[C@]1(CC[NH+](C)C)CC(=O)CC[C@@H]1C=C2 ZINC000001560175 452667813 /nfs/dbraw/zinc/66/78/13/452667813.db2.gz ZZYRTKUDKQIIKW-MGPUTAFESA-N 1 0 329.440 3.289 40 0 EGABRO CC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C(C)=O)cc1 ZINC000001475570 452668588 /nfs/dbraw/zinc/66/85/88/452668588.db2.gz KXAMIVMIZWCHGN-IBGZPJMESA-N 1 0 327.424 3.151 40 0 EGABRO COc1cc2cccnc2c(NC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000001656148 452672296 /nfs/dbraw/zinc/67/22/96/452672296.db2.gz HEMGDCRRUCBIJT-HLLBOEOZSA-N 1 0 343.471 3.279 40 0 EGABRO C[C@H](CN(C)Cc1ncnn1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190361097 455302475 /nfs/dbraw/zinc/30/24/75/455302475.db2.gz RSGQWUYBTRWECG-SNVBAGLBSA-N 1 0 329.231 3.021 40 0 EGABRO CCCC/C=C/[C@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000005781980 452901370 /nfs/dbraw/zinc/90/13/70/452901370.db2.gz JKPUZMZDECKYBD-JFUHVDNBSA-N 1 0 343.467 3.258 40 0 EGABRO Clc1ccc2c(c1)[C@H](c1ccccc1)[NH+]=C(N1CCOCC1)N2 ZINC000005775317 452902244 /nfs/dbraw/zinc/90/22/44/452902244.db2.gz CWNKKEHBCMFZEF-KRWDZBQOSA-N 1 0 327.815 3.352 40 0 EGABRO CC1CC[NH+]([C@@H](CNc2ncnc3n[nH]cc32)c2cccs2)CC1 ZINC000012547870 453372224 /nfs/dbraw/zinc/37/22/24/453372224.db2.gz XJPDAJKUZSHDSG-AWEZNQCLSA-N 1 0 342.472 3.300 40 0 EGABRO CCOc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](C)O ZINC000013991835 453496767 /nfs/dbraw/zinc/49/67/67/453496767.db2.gz PSWAWCCJJQIRMK-HNNXBMFYSA-N 1 0 343.423 3.197 40 0 EGABRO COc1cc2ccccc2cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000017812370 453638671 /nfs/dbraw/zinc/63/86/71/453638671.db2.gz WSTKIZISPFADPG-UHFFFAOYSA-N 1 0 326.440 3.454 40 0 EGABRO Cc1nccn1-c1ccc(CN(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000019288250 453655425 /nfs/dbraw/zinc/65/54/25/453655425.db2.gz ANWIUFWQAKCAAM-UHFFFAOYSA-N 1 0 349.482 3.140 40 0 EGABRO Cc1ccccc1N1CC[NH+](C[C@@H](O)c2cn(C)c3ccccc23)CC1 ZINC000019237306 453655515 /nfs/dbraw/zinc/65/55/15/453655515.db2.gz ROPKIKISKPFWKN-JOCHJYFZSA-N 1 0 349.478 3.342 40 0 EGABRO Cc1cccc(C)c1OCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020512002 453666301 /nfs/dbraw/zinc/66/63/01/453666301.db2.gz SHZPXVXIUOZIFE-UHFFFAOYSA-N 1 0 338.451 3.027 40 0 EGABRO Cn1ccccc1=[N+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000025287174 453763717 /nfs/dbraw/zinc/76/37/17/453763717.db2.gz BHLKNJNXKHBSSX-UHFFFAOYSA-N 1 0 344.482 3.423 40 0 EGABRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc2c(s1)CCC2 ZINC000032400195 453870220 /nfs/dbraw/zinc/87/02/20/453870220.db2.gz JDIBEMQHMHXSFQ-UHFFFAOYSA-N 1 0 340.492 3.415 40 0 EGABRO CCOc1ccc([C@@H]2SC(=[NH2+])N[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC000033746452 453917427 /nfs/dbraw/zinc/91/74/27/453917427.db2.gz VVRSZSPECIFBQS-ZACQAIPSSA-N 1 0 328.437 3.290 40 0 EGABRO CC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000037201865 453934425 /nfs/dbraw/zinc/93/44/25/453934425.db2.gz ZHIFIHIACTXESU-GGPKGHCWSA-N 1 0 331.456 3.284 40 0 EGABRO CC(C)c1ccccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042646495 454018220 /nfs/dbraw/zinc/01/82/20/454018220.db2.gz YLFRITUDTRAFGV-UHFFFAOYSA-N 1 0 345.487 3.174 40 0 EGABRO CS[C@@H](C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000045943037 454199434 /nfs/dbraw/zinc/19/94/34/454199434.db2.gz OVNNXLHOPVFLQW-AWEZNQCLSA-N 1 0 349.500 3.191 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)co1 ZINC000096039978 454266388 /nfs/dbraw/zinc/26/63/88/454266388.db2.gz OAFDTTLQWVUFQE-OALUTQOASA-N 1 0 328.412 3.125 40 0 EGABRO Fc1ccccc1C[N@@H+]1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096042522 454268593 /nfs/dbraw/zinc/26/85/93/454268593.db2.gz FXMBIHLTOJHKJX-AQNXPRMDSA-N 1 0 342.414 3.169 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)o1 ZINC000096046947 454270385 /nfs/dbraw/zinc/27/03/85/454270385.db2.gz GQLFXZFTIZQMRY-FQEVSTJZSA-N 1 0 325.456 3.471 40 0 EGABRO Fc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1 ZINC000096048253 454270883 /nfs/dbraw/zinc/27/08/83/454270883.db2.gz MYFJIVPLFJRIFS-VQTJNVASSA-N 1 0 342.414 3.423 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)cc1 ZINC000096054188 454273947 /nfs/dbraw/zinc/27/39/47/454273947.db2.gz CMLKQAWWZSHLHC-AEFFLSMTSA-N 1 0 340.423 3.025 40 0 EGABRO Fc1ccc(-c2ncnc3c2CC[N@H+](Cc2cccnc2)CC3)cc1 ZINC000096058705 454275974 /nfs/dbraw/zinc/27/59/74/454275974.db2.gz MFSMFCSHOZOJKC-UHFFFAOYSA-N 1 0 334.398 3.279 40 0 EGABRO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1ccccc1F)CC2 ZINC000096078392 454280569 /nfs/dbraw/zinc/28/05/69/454280569.db2.gz OKYASZRXDAMKLS-MRXNPFEDSA-N 1 0 348.462 3.177 40 0 EGABRO Cc1ncsc1C[NH+]1CCC2(C[C@H](Oc3ccccn3)CO2)CC1 ZINC000096106994 454284380 /nfs/dbraw/zinc/28/43/80/454284380.db2.gz WIKTXCJCRVNPPR-HNNXBMFYSA-N 1 0 345.468 3.049 40 0 EGABRO Cc1oncc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccs1)C2 ZINC000096158015 454294027 /nfs/dbraw/zinc/29/40/27/454294027.db2.gz GKZSAHUYEUOXDK-GOSISDBHSA-N 1 0 345.468 3.173 40 0 EGABRO O=C1CCCN1[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000096208675 454305009 /nfs/dbraw/zinc/30/50/09/454305009.db2.gz HNKAWHGDUCPJLO-VQIMIIECSA-N 1 0 348.874 3.086 40 0 EGABRO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CC(C)C)C3)C2)n1 ZINC000096216244 454305944 /nfs/dbraw/zinc/30/59/44/454305944.db2.gz RYYBLPLHAOSELH-FQEVSTJZSA-N 1 0 329.488 3.251 40 0 EGABRO C[N@@H+](Cc1cccnc1)C[C@H]1CC12CCN(C(=O)c1ccco1)CC2 ZINC000096238325 454310371 /nfs/dbraw/zinc/31/03/71/454310371.db2.gz OLJWJFCYEDWVGG-QGZVFWFLSA-N 1 0 339.439 3.049 40 0 EGABRO c1csc(C[N@H+]2CC[C@H]3OCCN(Cc4cccnc4)[C@H]3CC2)c1 ZINC000096249376 454312052 /nfs/dbraw/zinc/31/20/52/454312052.db2.gz GKRSPYBYFOQTEJ-RBUKOAKNSA-N 1 0 343.496 3.009 40 0 EGABRO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]C2CCCCC2)C3)cc1 ZINC000096269391 454314871 /nfs/dbraw/zinc/31/48/71/454314871.db2.gz UFJNGLLHYIMBRN-SFHVURJKSA-N 1 0 341.455 3.380 40 0 biogenic,in-vitro EGABRO COc1ccc(C[NH2+]CC2=Cc3ccccc3OC2)cc1NC(C)=O ZINC000096403163 454322698 /nfs/dbraw/zinc/32/26/98/454322698.db2.gz KFUICJAMFHRNFJ-UHFFFAOYSA-N 1 0 338.407 3.219 40 0 EGABRO CC(=O)N(C)c1ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000096407958 454326517 /nfs/dbraw/zinc/32/65/17/454326517.db2.gz YAOWUIMLBWSZRQ-QGZVFWFLSA-N 1 0 348.491 3.157 40 0 EGABRO CC(C)[C@H](C(=O)Nc1ccc(OCC2CCOCC2)cc1)[NH+](C)C ZINC000096413198 454330237 /nfs/dbraw/zinc/33/02/37/454330237.db2.gz URCGSMYDXIVRII-GOSISDBHSA-N 1 0 334.460 3.017 40 0 EGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000096414279 454331319 /nfs/dbraw/zinc/33/13/19/454331319.db2.gz DXCYJKXBVNVWOV-OKILXGFUSA-N 1 0 347.484 3.040 40 0 EGABRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]C1CCSCC1 ZINC000096447568 454353873 /nfs/dbraw/zinc/35/38/73/454353873.db2.gz HFKYTMAYLWOWJD-UHFFFAOYSA-N 1 0 328.865 3.162 40 0 EGABRO Cc1ccc(C[NH2+]Cc2cccc3c[nH]nc32)c(O[C@H]2CCOC2)c1 ZINC000096466790 454360361 /nfs/dbraw/zinc/36/03/61/454360361.db2.gz DCBISBHIVSFSIL-SFHVURJKSA-N 1 0 337.423 3.329 40 0 EGABRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1NCc1cccc(F)c1F ZINC000096482847 454365577 /nfs/dbraw/zinc/36/55/77/454365577.db2.gz SDIRDSLNOHEGFH-KRWDZBQOSA-N 1 0 345.393 3.027 40 0 EGABRO Cc1cccn2cc(CC[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)nc12 ZINC000097103770 454407015 /nfs/dbraw/zinc/40/70/15/454407015.db2.gz NPUMAPMDRXYZOW-GOSISDBHSA-N 1 0 331.423 3.288 40 0 EGABRO O=C(Nc1ccccc1)N1CC[C@]2(CCC[N@@H+]2Cc2ccccn2)C1 ZINC000063526935 454422071 /nfs/dbraw/zinc/42/20/71/454422071.db2.gz HHUZFMPKIZFUOH-HXUWFJFHSA-N 1 0 336.439 3.354 40 0 EGABRO Fc1ccc(OC[C@@H]2CCCO2)c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000097232137 454427239 /nfs/dbraw/zinc/42/72/39/454427239.db2.gz IFUSBAMEZKLWQD-ZACQAIPSSA-N 1 0 334.435 3.422 40 0 EGABRO Cc1cccc(-c2noc(CN3CC[NH+](CCC(C)C)CC3)n2)c1 ZINC000048365827 454480146 /nfs/dbraw/zinc/48/01/46/454480146.db2.gz SXBQBNUVXISFTK-UHFFFAOYSA-N 1 0 328.460 3.209 40 0 EGABRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(N2CCOC2=O)c1 ZINC000134797417 454591226 /nfs/dbraw/zinc/59/12/26/454591226.db2.gz QRCLSPFEMOGUDA-RUGDWHBFSA-N 1 0 342.439 3.251 40 0 EGABRO COCc1ccc(C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)o1 ZINC000092673633 454607532 /nfs/dbraw/zinc/60/75/32/454607532.db2.gz GBCRJGVVCKWTEB-UHFFFAOYSA-N 1 0 348.468 3.190 40 0 EGABRO Cc1cc(C)c(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)o1 ZINC000176312702 454727578 /nfs/dbraw/zinc/72/75/78/454727578.db2.gz KRGZQLNHZBVNID-UHFFFAOYSA-N 1 0 341.455 3.071 40 0 EGABRO Cc1cccnc1C[N@@H+]1CCC2(CC(NC(=O)c3ccsc3)C2)C1 ZINC000108531781 454801210 /nfs/dbraw/zinc/80/12/10/454801210.db2.gz YROMGXHRGQWZMA-UHFFFAOYSA-N 1 0 341.480 3.236 40 0 EGABRO CC1(C(=O)NCCc2nccs2)CC[NH+](Cc2ccccc2)CC1 ZINC000162850236 454804698 /nfs/dbraw/zinc/80/46/98/454804698.db2.gz XHPKFBLBPAEYRF-UHFFFAOYSA-N 1 0 343.496 3.104 40 0 EGABRO [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000141184104 454827159 /nfs/dbraw/zinc/82/71/59/454827159.db2.gz JORFOQFEPOWZMD-SJORKVTESA-N 1 0 331.257 3.376 40 0 EGABRO COc1ccc([C@@H](CO)[N@H+](C)C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000110640917 454850532 /nfs/dbraw/zinc/85/05/32/454850532.db2.gz YVOCTSKKMBDQMR-MSOLQXFVSA-N 1 0 335.831 3.047 40 0 EGABRO C[C@@H]([NH2+]Cc1ccnc(N2CCO[C@H](C)C2)c1)c1cccc(F)c1 ZINC000110688722 454851442 /nfs/dbraw/zinc/85/14/42/454851442.db2.gz WAWFYCZEFQWQGU-HUUCEWRRSA-N 1 0 329.419 3.297 40 0 EGABRO Cc1cc(Nc2cc(C3C[NH2+]C3)nc(-c3ccccc3Cl)n2)n[nH]1 ZINC000147078413 454862506 /nfs/dbraw/zinc/86/25/06/454862506.db2.gz IUBCSMYQCYXYMN-UHFFFAOYSA-N 1 0 340.818 3.259 40 0 EGABRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 ZINC000127633341 454983639 /nfs/dbraw/zinc/98/36/39/454983639.db2.gz DYVQBLGENUZNRC-UGSOOPFHSA-N 1 0 346.425 3.266 40 0 EGABRO C[C@H](CC(=O)c1ccco1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000155353632 454990690 /nfs/dbraw/zinc/99/06/90/454990690.db2.gz TUJPXSYSSWZVQH-HUUCEWRRSA-N 1 0 332.444 3.012 40 0 EGABRO OCC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000248763058 455729394 /nfs/dbraw/zinc/72/93/94/455729394.db2.gz DWCYDJFNLYTUQD-IYWMVGAKSA-N 1 0 340.467 3.488 40 0 EGABRO Cc1cccnc1[C@@H]1CCC[C@@]2(C1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000252498344 455814584 /nfs/dbraw/zinc/81/45/84/455814584.db2.gz QZFHGTFQYWCUMX-JLTOFOAXSA-N 1 0 346.438 3.300 40 0 EGABRO Cc1ccnc([C@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257228445 455880428 /nfs/dbraw/zinc/88/04/28/455880428.db2.gz FTWPIPXVXMWAMZ-ZDUSSCGKSA-N 1 0 325.441 3.226 40 0 EGABRO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@H+](Cc3ccncc3)C2)ncn1 ZINC000257288687 455884247 /nfs/dbraw/zinc/88/42/47/455884247.db2.gz PVEIBDWQRQJGBS-KRWDZBQOSA-N 1 0 349.438 3.208 40 0 EGABRO CO[C@H]1CCCOC12CC[NH+](Cc1ccc3ncccc3c1)CC2 ZINC000257308676 455887695 /nfs/dbraw/zinc/88/76/95/455887695.db2.gz TXRIYJJYJNUNBQ-IBGZPJMESA-N 1 0 326.440 3.395 40 0 EGABRO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)c2)cn1 ZINC000257318476 455890674 /nfs/dbraw/zinc/89/06/74/455890674.db2.gz VOCFCPSNEPSQEF-KRWDZBQOSA-N 1 0 334.427 3.291 40 0 EGABRO Cn1cncc1-c1cc(CC2CC[NH+](Cc3cccnc3)CC2)ccn1 ZINC000257321156 455890947 /nfs/dbraw/zinc/89/09/47/455890947.db2.gz WAHZBNGATOPRMC-UHFFFAOYSA-N 1 0 347.466 3.332 40 0 EGABRO Cc1c(NC(=O)C[NH2+]C[C@@H]2CCCO2)cccc1OC1CCCC1 ZINC000195543423 455982562 /nfs/dbraw/zinc/98/25/62/455982562.db2.gz AAFIETLFRNSLGX-INIZCTEOSA-N 1 0 332.444 3.024 40 0 EGABRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000195542479 455982993 /nfs/dbraw/zinc/98/29/93/455982993.db2.gz KLEVRZSIYHMWCN-PKOBYXMFSA-N 1 0 340.492 3.197 40 0 EGABRO O=C(COC[C@H]1CCC[NH2+]C1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000195549480 455983243 /nfs/dbraw/zinc/98/32/43/455983243.db2.gz DSIPRVGUEPDLDJ-HNNXBMFYSA-N 1 0 336.435 3.213 40 0 EGABRO Cc1occc1-c1nnc(NCc2ccc(N3CCCC3)nc2)o1 ZINC000195562414 455984976 /nfs/dbraw/zinc/98/49/76/455984976.db2.gz JUXJYKSKTJFDJX-UHFFFAOYSA-N 1 0 325.372 3.245 40 0 EGABRO O=C(COc1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224642213 456068828 /nfs/dbraw/zinc/06/88/28/456068828.db2.gz PPOHVLAOJNZOCJ-UHFFFAOYSA-N 1 0 338.451 3.368 40 0 EGABRO CCc1ccccc1NC(=S)NC1CC[NH+](C2CCOCC2)CC1 ZINC000225214560 456075850 /nfs/dbraw/zinc/07/58/50/456075850.db2.gz BIDNLIKGANAZTA-UHFFFAOYSA-N 1 0 347.528 3.179 40 0 EGABRO COC(C)(C)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000225599363 456097443 /nfs/dbraw/zinc/09/74/43/456097443.db2.gz BVIJYVIBGCIVNH-HOTGVXAUSA-N 1 0 348.487 3.407 40 0 EGABRO CC[C@H](CC1CCCC1)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333347519 456204768 /nfs/dbraw/zinc/20/47/68/456204768.db2.gz ZPCVYMDZRNYKDK-NEWSRXKRSA-N 1 0 336.520 3.338 40 0 EGABRO COCCn1ccnc1[C@@H]1C[N@H+](Cc2ccncc2)Cc2ccccc21 ZINC000306140569 456566726 /nfs/dbraw/zinc/56/67/26/456566726.db2.gz UXNIZJSYFLSBGO-HXUWFJFHSA-N 1 0 348.450 3.072 40 0 EGABRO COCCn1ccnc1[C@H]1C[N@H+](Cc2ccncc2)Cc2ccccc21 ZINC000306140568 456567786 /nfs/dbraw/zinc/56/77/86/456567786.db2.gz UXNIZJSYFLSBGO-FQEVSTJZSA-N 1 0 348.450 3.072 40 0 EGABRO Cc1ncsc1CN1Cc2ccnn2[C@@H](CC[NH+]2CCCCC2)C1 ZINC000306141172 456567946 /nfs/dbraw/zinc/56/79/46/456567946.db2.gz VNBIXOOMTPPQLL-KRWDZBQOSA-N 1 0 345.516 3.081 40 0 EGABRO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)cc1 ZINC000585105030 459825479 /nfs/dbraw/zinc/82/54/79/459825479.db2.gz NXXRCTZFLPOGPP-IBGZPJMESA-N 1 0 347.524 3.498 40 0 EGABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000585283588 459832061 /nfs/dbraw/zinc/83/20/61/459832061.db2.gz CCVJXANUPOJFCD-XUVXKRRUSA-N 1 0 347.405 3.458 40 0 EGABRO CC(C)n1nccc1C[N@@H+]1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585279944 459832275 /nfs/dbraw/zinc/83/22/75/459832275.db2.gz UANSYPSLILMRDB-APWZRJJASA-N 1 0 331.435 3.029 40 0 EGABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000585289401 459833146 /nfs/dbraw/zinc/83/31/46/459833146.db2.gz QPJYISPRFTYNPI-RCCFBDPRSA-N 1 0 332.831 3.186 40 0 EGABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000585288781 459833701 /nfs/dbraw/zinc/83/37/01/459833701.db2.gz IZYMIDABLRFHRT-IPMKNSEASA-N 1 0 333.378 3.415 40 0 EGABRO CC(=O)c1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(F)c1 ZINC000390833304 518324636 /nfs/dbraw/zinc/32/46/36/518324636.db2.gz FVONJMLCFAIMBO-BFUOFWGJSA-N 1 0 342.414 3.450 40 0 EGABRO CCN1CC[C@@H]([NH2+]Cc2cscn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000245344199 521715391 /nfs/dbraw/zinc/71/53/91/521715391.db2.gz YBFKMSWZFZAQJD-GDBMZVCRSA-N 1 0 341.402 3.486 40 0 EGABRO CCc1ccc([C@H]2[C@@H]([NH3+])[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218613599 536194934 /nfs/dbraw/zinc/19/49/34/536194934.db2.gz DZGNFKWOJLTSQU-GVDBMIGSSA-N 1 0 335.856 3.169 40 0 EGABRO CN(c1ccncn1)C1CC2(C1)CC[N@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000257220781 536300465 /nfs/dbraw/zinc/30/04/65/536300465.db2.gz DMCIDEVMMVKABI-UHFFFAOYSA-N 1 0 347.466 3.449 40 0 EGABRO CCN(CC)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c(O)c1 ZINC000090686066 546660369 /nfs/dbraw/zinc/66/03/69/546660369.db2.gz YROCVBBXKXSISH-QAPCUYQASA-N 1 0 347.503 3.041 40 0 EGABRO Fc1ccc(C[N@H+]2C[C@@H]3c4ncc(-c5cccnc5)n4C[C@@H]3C2)cc1 ZINC000306129617 547459779 /nfs/dbraw/zinc/45/97/79/547459779.db2.gz IIGCIKXSOAARGS-WMZOPIPTSA-N 1 0 334.398 3.313 40 0 EGABRO Cc1ccc(Cl)cc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228929794 564118139 /nfs/dbraw/zinc/11/81/39/564118139.db2.gz JPZJONWIKMEPOZ-UHFFFAOYSA-N 1 0 342.834 3.456 40 0 EGABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)CC3CC3)CC2)nn1C ZINC000100687611 219104286 /nfs/dbraw/zinc/10/42/86/219104286.db2.gz KGBFWTIIBYVIQU-HDICACEKSA-N 1 0 346.519 3.014 40 0 EGABRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000004280287 210160546 /nfs/dbraw/zinc/16/05/46/210160546.db2.gz USCUADQWCJEPOW-MRXNPFEDSA-N 1 0 336.476 3.189 40 0 EGABRO O=C(Nc1ccccc1OC1CCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000102716754 219224618 /nfs/dbraw/zinc/22/46/18/219224618.db2.gz SHJHKPSQVLTVJC-INIZCTEOSA-N 1 0 341.455 3.486 40 0 EGABRO COC(=O)c1c(C)c(C)sc1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000003267118 209993102 /nfs/dbraw/zinc/99/31/02/209993102.db2.gz GHOCKEGCJPMNBE-UHFFFAOYSA-N 1 0 338.473 3.212 40 0 EGABRO CC(C)(C)c1ncc(C[NH2+]CCc2nnc3n2CCCCC3)s1 ZINC000067698422 215189985 /nfs/dbraw/zinc/18/99/85/215189985.db2.gz DTTOILNDRBYFFJ-UHFFFAOYSA-N 1 0 333.505 3.091 40 0 EGABRO O=C(Cc1cccc(Cl)c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000067809642 215218193 /nfs/dbraw/zinc/21/81/93/215218193.db2.gz HZNLCDXJWDHGAL-UHFFFAOYSA-N 1 0 342.870 3.447 40 0 EGABRO CN1CCN(C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000069171403 215366941 /nfs/dbraw/zinc/36/69/41/215366941.db2.gz DYYJICILIIQTRR-HXUWFJFHSA-N 1 0 345.437 3.043 40 0 EGABRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cccs3)cc2)C[C@@H](C)O1 ZINC000040087475 213260418 /nfs/dbraw/zinc/26/04/18/213260418.db2.gz SLTRMEYALJIQTC-HUUCEWRRSA-N 1 0 344.480 3.287 40 0 EGABRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000032761913 212837464 /nfs/dbraw/zinc/83/74/64/212837464.db2.gz BNCXYRXEONLWIS-WBVHZDCISA-N 1 0 342.464 3.005 40 0 EGABRO O[C@@H](C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)CC(F)(F)F ZINC000189662696 237116926 /nfs/dbraw/zinc/11/69/26/237116926.db2.gz SWOUQAQHNKCJKV-GFCCVEGCSA-N 1 0 327.350 3.056 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-n3ccnc3)C2)cc1 ZINC000072350512 216162005 /nfs/dbraw/zinc/16/20/05/216162005.db2.gz LXRWHWPFZBZOFZ-QGZVFWFLSA-N 1 0 349.438 3.051 40 0 EGABRO c1ccc(C[NH+]2CCC(c3cncc(Oc4cccnc4)n3)CC2)nc1 ZINC000072383646 216183679 /nfs/dbraw/zinc/18/36/79/216183679.db2.gz CTTZYIWXHXOONI-UHFFFAOYSA-N 1 0 347.422 3.439 40 0 EGABRO Cc1cc(Cl)ccc1OCC(=O)N1CC[NH+]=Cc2cc(N)ccc21 ZINC000073642490 216404615 /nfs/dbraw/zinc/40/46/15/216404615.db2.gz ACNCTTRBUZIUTH-UHFFFAOYSA-N 1 0 343.814 3.075 40 0 EGABRO COc1cccc(C[NH2+]CCN(C)C)c1OCc1ccc(F)cc1 ZINC000022075327 212276293 /nfs/dbraw/zinc/27/62/93/212276293.db2.gz MZYBYQYOELFYBP-UHFFFAOYSA-N 1 0 332.419 3.065 40 0 EGABRO CC(C)[C@H]([NH3+])c1nnc2ccc(-c3ccc(Br)cc3)nn21 ZINC000217566055 241258957 /nfs/dbraw/zinc/25/89/57/241258957.db2.gz MNQWOTDROBRFOA-AWEZNQCLSA-N 1 0 346.232 3.210 40 0 EGABRO C[NH+]1CCN(Cc2ccc3oc(-c4ccccc4F)nc3c2)CC1 ZINC000216789864 241212517 /nfs/dbraw/zinc/21/25/17/241212517.db2.gz QRGPIKYVQAZEAR-UHFFFAOYSA-N 1 0 325.387 3.381 40 0 EGABRO C[N@H+](CCCNC(=O)COc1ccccc1Cl)Cc1ccccc1 ZINC000021939005 212265474 /nfs/dbraw/zinc/26/54/74/212265474.db2.gz QCMHZBUCCPSTBC-UHFFFAOYSA-N 1 0 346.858 3.357 40 0 EGABRO C[NH+](C)CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000225590191 241941540 /nfs/dbraw/zinc/94/15/40/241941540.db2.gz IHRHZGOBZWXLCW-UHFFFAOYSA-N 1 0 339.650 3.326 40 0 EGABRO C[C@H]([NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)C1CCOCC1 ZINC000245287214 299382059 /nfs/dbraw/zinc/38/20/59/299382059.db2.gz BMBOARDOHDAIOH-CWRNSKLLSA-N 1 0 326.481 3.085 40 0 EGABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1CO ZINC000257217662 244174000 /nfs/dbraw/zinc/17/40/00/244174000.db2.gz CZZJSSMZUFOPJC-OAHLLOKOSA-N 1 0 332.469 3.414 40 0 EGABRO Nc1nc2nc(C3CC[NH+](Cc4cncs4)CC3)ccc2s1 ZINC000257211718 244155220 /nfs/dbraw/zinc/15/52/20/244155220.db2.gz CACCQPQWOVMHFE-UHFFFAOYSA-N 1 0 331.470 3.110 40 0 EGABRO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000257222054 244189095 /nfs/dbraw/zinc/18/90/95/244189095.db2.gz DRRRGSRHBHZSMK-HNNXBMFYSA-N 1 0 337.427 3.141 40 0 EGABRO CO[C@H]1CC[N@H+](Cc2cn(C)c3ccc(F)cc23)C[C@@]12CCCO2 ZINC000257237161 244233613 /nfs/dbraw/zinc/23/36/13/244233613.db2.gz HFKASZZYWCWOIO-OALUTQOASA-N 1 0 332.419 3.087 40 0 EGABRO Fc1ccccc1C[NH+]1CCC(c2nccnc2-c2ncc[nH]2)CC1 ZINC000257261716 244350535 /nfs/dbraw/zinc/35/05/35/244350535.db2.gz LINNVICVFOMSLE-UHFFFAOYSA-N 1 0 337.402 3.385 40 0 EGABRO CC1(C)Cc2cc(C[N@@H+]3CC[C@@H](C(=O)NC4CCCC4)C3)ccc2O1 ZINC000019750388 212062466 /nfs/dbraw/zinc/06/24/66/212062466.db2.gz WBHWHTYMZSWIAK-MRXNPFEDSA-N 1 0 342.483 3.281 40 0 EGABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000019503708 212035185 /nfs/dbraw/zinc/03/51/85/212035185.db2.gz JCJLIKIFQALMAC-INIZCTEOSA-N 1 0 327.428 3.194 40 0 EGABRO CC[NH+]1CCN(C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000019367089 212022980 /nfs/dbraw/zinc/02/29/80/212022980.db2.gz OONGEXVPSRLMAY-HXUWFJFHSA-N 1 0 346.515 3.112 40 0 EGABRO OC1(Cn2ncc3cc(Nc4ccc(F)cc4)ccc32)CC[NH2+]CC1 ZINC000019335667 212018244 /nfs/dbraw/zinc/01/82/44/212018244.db2.gz DZXVETPWZAHIHX-UHFFFAOYSA-N 1 0 340.402 3.034 40 0 EGABRO CC(C)(C)n1cc(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cn1 ZINC000078663126 217097195 /nfs/dbraw/zinc/09/71/95/217097195.db2.gz GOILBOANWLXRNA-OAHLLOKOSA-N 1 0 341.377 3.480 40 0 EGABRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc(F)c2)c(Cl)c1OC ZINC000078656901 217097334 /nfs/dbraw/zinc/09/73/34/217097334.db2.gz LDRRLJCLTQTCJT-CQSZACIVSA-N 1 0 339.794 3.320 40 0 EGABRO C[C@H](CNC(=O)N(C)[C@@H](C)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000078925999 217149511 /nfs/dbraw/zinc/14/95/11/217149511.db2.gz IYFXKZKTQABYJS-SJORKVTESA-N 1 0 340.471 3.305 40 0 EGABRO C[C@H](c1ccc(Br)cc1)[NH+]1CCC(CC(N)=O)CC1 ZINC000079027727 217176716 /nfs/dbraw/zinc/17/67/16/217176716.db2.gz UWAMQWGWZFVHRB-LLVKDONJSA-N 1 0 325.250 3.098 40 0 EGABRO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000079354173 217213275 /nfs/dbraw/zinc/21/32/75/217213275.db2.gz FBPLIBPHGBXQDU-JKSUJKDBSA-N 1 0 338.517 3.076 40 0 EGABRO O[C@]1(c2cccnc2)CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3F)C[C@@H]21 ZINC000012337143 211350896 /nfs/dbraw/zinc/35/08/96/211350896.db2.gz YHQYVBJFVDONSK-WNYOCNMUSA-N 1 0 344.405 3.480 40 0 EGABRO CCn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 ZINC000012325309 211349695 /nfs/dbraw/zinc/34/96/95/211349695.db2.gz SMZFMCJTNVPTSB-DFNIBXOVSA-N 1 0 329.419 3.057 40 0 EGABRO Cc1cc(-c2cnc(NCC[NH+](C)C)nc2-c2cccs2)on1 ZINC000012154288 211309783 /nfs/dbraw/zinc/30/97/83/211309783.db2.gz WBPWCMLAYAOOFM-UHFFFAOYSA-N 1 0 329.429 3.142 40 0 EGABRO CC(C)n1cccc1C[N@@H+]1CCc2nc(-c3ccncc3)[nH]c(=O)c2C1 ZINC000012121895 211299063 /nfs/dbraw/zinc/29/90/63/211299063.db2.gz WZVJQCXQQCJSLE-UHFFFAOYSA-N 1 0 349.438 3.185 40 0 EGABRO COc1ccccc1C[N@@H+]1CCC[C@H](n2c3ccccc3oc2=O)C1 ZINC000012119114 211297250 /nfs/dbraw/zinc/29/72/50/211297250.db2.gz RWLFNUALUYGTKC-INIZCTEOSA-N 1 0 338.407 3.440 40 0 EGABRO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)n1cnc2ccccc21 ZINC000012148560 211308170 /nfs/dbraw/zinc/30/81/70/211308170.db2.gz SGFVFIPOMBHZGP-SJLPKXTDSA-N 1 0 342.487 3.224 40 0 EGABRO CCC[NH+]1CCC(CNC(=O)c2cc3ccc(OC)cc3n2C)CC1 ZINC000012148623 211307843 /nfs/dbraw/zinc/30/78/43/211307843.db2.gz CXNWVVPNNWHRNJ-UHFFFAOYSA-N 1 0 343.471 3.039 40 0 EGABRO COC(=O)N1CCC([NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000092374518 218136730 /nfs/dbraw/zinc/13/67/30/218136730.db2.gz KRUCLLYSKIIEJC-UHFFFAOYSA-N 1 0 331.441 3.131 40 0 EGABRO C[C@@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]C[C@@](C)(O)c1ccco1 ZINC000095423311 218366332 /nfs/dbraw/zinc/36/63/32/218366332.db2.gz GTUPUUUYLQAWML-YVEFUNNKSA-N 1 0 336.819 3.147 40 0 EGABRO O=C1CCC2(CCC([NH2+][C@H]3CCOC3)CC2)N1Cc1cccc(F)c1 ZINC000096228621 218705272 /nfs/dbraw/zinc/70/52/72/218705272.db2.gz WDVDXMRSABHFJL-FDYSRKEFSA-N 1 0 346.446 3.008 40 0 EGABRO COc1ccc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c(Br)c1 ZINC000183577792 533111849 /nfs/dbraw/zinc/11/18/49/533111849.db2.gz BMPFOIZIUWTVCL-GRYCIOLGSA-N 1 0 326.234 3.045 40 0 EGABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[NH2+]CCO ZINC000118918633 221204154 /nfs/dbraw/zinc/20/41/54/221204154.db2.gz CYTBXDOJKXVHPC-LWYCANNGSA-N 1 0 335.532 3.341 40 0 EGABRO C[C@@H]([NH2+]Cc1ccc(Br)o1)c1ccc(-n2ccnn2)cc1 ZINC000191486966 533443352 /nfs/dbraw/zinc/44/33/52/533443352.db2.gz INBYXXPODUTJES-LLVKDONJSA-N 1 0 347.216 3.474 40 0 EGABRO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114425225 162230742 /nfs/dbraw/zinc/23/07/42/162230742.db2.gz PGQPCSVQHUHEHL-KCPJHIHWSA-N 1 0 326.362 3.052 40 0 EGABRO Cc1ncc([C@H](C)[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(C)n1 ZINC000122126911 222020584 /nfs/dbraw/zinc/02/05/84/222020584.db2.gz FFPVIBCNUKNKOD-LXZKKBNFSA-N 1 0 348.491 3.437 40 0 EGABRO c1csc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)c1 ZINC000096061682 275074751 /nfs/dbraw/zinc/07/47/51/275074751.db2.gz OLYUISZJFXEDQU-UXHICEINSA-N 1 0 342.508 3.266 40 0 EGABRO COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)[C@H](C)OC)CCOCC1 ZINC000096476698 295144360 /nfs/dbraw/zinc/14/43/60/295144360.db2.gz WEXPRCRXNVRFIH-KGLIPLIRSA-N 1 0 341.879 3.410 40 0 EGABRO COc1ccc2c(c1OC)[C@]1(CC[NH+](C)C)CC(=O)CC[C@H]1C=C2 ZINC000001560173 295277844 /nfs/dbraw/zinc/27/78/44/295277844.db2.gz ZZYRTKUDKQIIKW-FOIQADDNSA-N 1 0 329.440 3.289 40 0 EGABRO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CC[C@H](Nc3ccccc3)C2)C1 ZINC000239762147 455262475 /nfs/dbraw/zinc/26/24/75/455262475.db2.gz CKYQPZIJXBUFOO-NQIIRXRSSA-N 1 0 349.478 3.335 40 0 EGABRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccoc1C1CC1 ZINC000241170996 455266764 /nfs/dbraw/zinc/26/67/64/455266764.db2.gz KDJZVIGYJRSXAQ-RDTXWAMCSA-N 1 0 339.439 3.192 40 0 EGABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccco1 ZINC000000514891 452609661 /nfs/dbraw/zinc/60/96/61/452609661.db2.gz YWVUPHQDJYPTJD-UHFFFAOYSA-N 1 0 329.425 3.002 40 0 EGABRO O[C@H](C[NH2+]CCc1c[nH]c2ccccc12)COc1ccc(Cl)cc1 ZINC000005379554 452864937 /nfs/dbraw/zinc/86/49/37/452864937.db2.gz XOVRXNVEILRPOE-MRXNPFEDSA-N 1 0 344.842 3.393 40 0 EGABRO CC[C@H](OC[C@@H](O)C[N@H+](CCO)Cc1ccccc1)c1ccccc1 ZINC000006440554 452945027 /nfs/dbraw/zinc/94/50/27/452945027.db2.gz ITVGMNRFDVQDOW-SFTDATJTSA-N 1 0 343.467 3.010 40 0 EGABRO Cc1cc(Cl)ccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000006501103 452948072 /nfs/dbraw/zinc/94/80/72/452948072.db2.gz LUVDTOQNWMQDCD-GOSISDBHSA-N 1 0 331.843 3.446 40 0 EGABRO Cc1ccc([C@@]2(O)CCC[C@@H]3C[N@H+](Cc4cnc(C)nc4)C[C@@H]32)cc1 ZINC000012186320 453346991 /nfs/dbraw/zinc/34/69/91/453346991.db2.gz LOEHXFLWUKAUCB-GIVPXCGWSA-N 1 0 337.467 3.213 40 0 EGABRO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCCCC3)ccc21 ZINC000012291366 453353593 /nfs/dbraw/zinc/35/35/93/453353593.db2.gz HSAQCBZCUBYDCS-IBGZPJMESA-N 1 0 330.472 3.141 40 0 EGABRO CC(C)c1ccc(NC(=[NH2+])Nc2nc3c(c(=O)[nH]2)CCCC3)cc1 ZINC000013634035 453477010 /nfs/dbraw/zinc/47/70/10/453477010.db2.gz OTUBIFOJWXQADH-UHFFFAOYSA-N 1 0 325.416 3.231 40 0 EGABRO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1ccccc1C ZINC000016362727 453602232 /nfs/dbraw/zinc/60/22/32/453602232.db2.gz PKIQLPBFJNTEOY-UHFFFAOYSA-N 1 0 329.440 3.443 40 0 EGABRO O=C1NC[C@@H](C2CC[NH+](Cc3ccccc3)CC2)Oc2ccccc21 ZINC000019371813 453656219 /nfs/dbraw/zinc/65/62/19/453656219.db2.gz QEOHEOJPIUWENK-FQEVSTJZSA-N 1 0 336.435 3.090 40 0 EGABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)CCCOc1cccc(F)c1 ZINC000019712486 453658269 /nfs/dbraw/zinc/65/82/69/453658269.db2.gz QWQZMIFGLLJEJC-RBUKOAKNSA-N 1 0 348.462 3.460 40 0 EGABRO Cc1cccc(N2CN(CCC[NH+](C)C)CN=C2c2ccccc2)c1 ZINC000022609048 453694915 /nfs/dbraw/zinc/69/49/15/453694915.db2.gz CHDBTESXVFOUKB-UHFFFAOYSA-N 1 0 336.483 3.431 40 0 EGABRO COc1cccc([C@@H](CNC(=O)Nc2cccnc2)[NH+]2CCCC2)c1 ZINC000024535722 453736023 /nfs/dbraw/zinc/73/60/23/453736023.db2.gz WAWKFKVOYNBKIG-GOSISDBHSA-N 1 0 340.427 3.049 40 0 EGABRO CC[NH+]1CCC(NC(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000029605890 453830026 /nfs/dbraw/zinc/83/00/26/453830026.db2.gz WQSNJZXWNJOYHL-UHFFFAOYSA-N 1 0 338.451 3.480 40 0 EGABRO C[C@@H](Oc1ccccc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029839114 453831943 /nfs/dbraw/zinc/83/19/43/453831943.db2.gz FVUPDSOBSDYOSB-QGZVFWFLSA-N 1 0 338.451 3.019 40 0 EGABRO COc1ccc(C(=O)[C@H]2SC(=[NH2+])N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000033665195 453916510 /nfs/dbraw/zinc/91/65/10/453916510.db2.gz LRNIPQIMNMMAAB-WBVHZDCISA-N 1 0 342.420 3.058 40 0 EGABRO C[C@@H](c1ccccc1)[N@@H+](CC(=O)NC1CCOCC1)CC1CCC1 ZINC000077372233 454098450 /nfs/dbraw/zinc/09/84/50/454098450.db2.gz FLZBDCNITGVPSB-INIZCTEOSA-N 1 0 330.472 3.145 40 0 EGABRO O[C@H](C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1)c1ccc(F)c(F)c1 ZINC000077400403 454102041 /nfs/dbraw/zinc/10/20/41/454102041.db2.gz XLKWPTAJEWUTCN-GOSISDBHSA-N 1 0 347.340 3.113 40 0 EGABRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cnn(C(C)(C)C)c1 ZINC000245918652 455399784 /nfs/dbraw/zinc/39/97/84/455399784.db2.gz PSWAXIAVMHAQMB-MAUKXSAKSA-N 1 0 327.476 3.356 40 0 EGABRO [NH2+]=C1NC[C@@H]2c3ccccc3Cc3cc(Br)ccc3N12 ZINC000044699380 454115013 /nfs/dbraw/zinc/11/50/13/454115013.db2.gz HQFMNGNBQOQKRX-OAHLLOKOSA-N 1 0 328.213 3.439 40 0 in-vitro EGABRO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CC[NH+]2CCC1CC2 ZINC000190923597 455406609 /nfs/dbraw/zinc/40/66/09/455406609.db2.gz LDLVXFODDSKUEH-UHFFFAOYSA-N 1 0 345.777 3.253 40 0 EGABRO COc1ccc(COc2cccc(F)c2)cc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000070810055 454177367 /nfs/dbraw/zinc/17/73/67/454177367.db2.gz JQUQFXGGVSNEDB-INIZCTEOSA-N 1 0 344.386 3.104 40 0 EGABRO CC[C@]12C=CC[N@H+]3CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]32 ZINC000071404424 454206143 /nfs/dbraw/zinc/20/61/43/454206143.db2.gz FNGGIPWAZSFKCN-HKBOAZHASA-N 1 0 336.435 3.221 40 0 EGABRO COc1cccc2cc(C[NH2+]C[C@@H]3CCN(CC(F)(F)F)C3)oc21 ZINC000095951272 454236877 /nfs/dbraw/zinc/23/68/77/454236877.db2.gz IUKKEXWHPDYASV-LBPRGKRZSA-N 1 0 342.361 3.415 40 0 EGABRO CC(C)n1c(C(=O)NCCC[NH+](C)C)cc2c1c1ccccc1n2C ZINC000096037276 454265551 /nfs/dbraw/zinc/26/55/51/454265551.db2.gz RZNNRIKCANKYPF-UHFFFAOYSA-N 1 0 340.471 3.395 40 0 EGABRO c1cc(C[NH+]2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)co1 ZINC000096037098 454265583 /nfs/dbraw/zinc/26/55/83/454265583.db2.gz WKWTUGAONSLUTL-UHFFFAOYSA-N 1 0 348.450 3.238 40 0 EGABRO Cn1cc(CN2CCC[C@@]3(CC[N@H+](Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046988 454269330 /nfs/dbraw/zinc/26/93/30/454269330.db2.gz YPVCDFBODJECLZ-HXUWFJFHSA-N 1 0 342.462 3.047 40 0 EGABRO O=C(c1cccs1)N1CCC[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096047024 454269407 /nfs/dbraw/zinc/26/94/07/454269407.db2.gz VYUZBHDABYBVMT-IBGZPJMESA-N 1 0 341.480 3.271 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)o1 ZINC000096051182 454272720 /nfs/dbraw/zinc/27/27/20/454272720.db2.gz UPQDXXWAFIXIIL-KRWDZBQOSA-N 1 0 348.397 3.116 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccoc2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096051142 454272818 /nfs/dbraw/zinc/27/28/18/454272818.db2.gz HKTBKJUXFGVCAM-QGZVFWFLSA-N 1 0 333.382 3.412 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)o1 ZINC000096050719 454272941 /nfs/dbraw/zinc/27/29/41/454272941.db2.gz FJKKLFHXSVYERW-IBGZPJMESA-N 1 0 328.387 3.356 40 0 EGABRO CC[C@@H]1[N@H+](Cc2cccs2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052434 454272984 /nfs/dbraw/zinc/27/29/84/454272984.db2.gz UKCURYZLEGMBED-WMZOPIPTSA-N 1 0 336.501 3.130 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)co1 ZINC000096064638 454278933 /nfs/dbraw/zinc/27/89/33/454278933.db2.gz SPUURGFEJREJPN-QYZOEREBSA-N 1 0 328.412 3.013 40 0 EGABRO O=C(Nc1ccccc1)N1C[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096090681 454281193 /nfs/dbraw/zinc/28/11/93/454281193.db2.gz ZNBFXUDSUUKNJS-IRXDYDNUSA-N 1 0 339.414 3.421 40 0 EGABRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc2ccccc2o1 ZINC000090116344 454281667 /nfs/dbraw/zinc/28/16/67/454281667.db2.gz DZNHDPNYEXQCRE-UKRRQHHQSA-N 1 0 338.411 3.013 40 0 EGABRO Fc1cccnc1O[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccoc1)C2 ZINC000096107393 454284507 /nfs/dbraw/zinc/28/45/07/454284507.db2.gz LAGDVCHHNFDEHH-QAPCUYQASA-N 1 0 332.375 3.016 40 0 EGABRO c1csc(C[N@H+]2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)c1 ZINC000096110370 454285812 /nfs/dbraw/zinc/28/58/12/454285812.db2.gz YYRKYVOKZKGUAY-MSOLQXFVSA-N 1 0 330.453 3.203 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096158083 454294517 /nfs/dbraw/zinc/29/45/17/454294517.db2.gz JXWJFGCQYHCASG-GOSISDBHSA-N 1 0 346.500 3.236 40 0 EGABRO Fc1cccc(-c2ncnc3c2CC[N@H+](Cc2ccccn2)CC3)c1 ZINC000096187646 454299950 /nfs/dbraw/zinc/29/99/50/454299950.db2.gz YJRSCBPHNVPICL-UHFFFAOYSA-N 1 0 334.398 3.279 40 0 EGABRO COc1ccc(NC(=O)[C@H]2CC3(CC[NH2+]CC3)c3ccccc32)cc1 ZINC000096241651 454311222 /nfs/dbraw/zinc/31/12/22/454311222.db2.gz PQQOBTGRXGONEM-SFHVURJKSA-N 1 0 336.435 3.442 40 0 EGABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261533 454314303 /nfs/dbraw/zinc/31/43/03/454314303.db2.gz YPBMBCKBMJRTPL-SVFBPWRDSA-N 1 0 339.483 3.184 40 0 EGABRO COc1ccc2c3c1O[C@@]1(C)C=C(Cl)C=C4[C@@H](C2)[N@H+](C)CC[C@@]341 ZINC000096316378 454318307 /nfs/dbraw/zinc/31/83/07/454318307.db2.gz ZOKWVYUPBVGDOC-CCKFTAQKSA-N 1 0 329.827 3.407 40 0 biogenic,in-vitro EGABRO CCOc1cccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000047081145 454328100 /nfs/dbraw/zinc/32/81/00/454328100.db2.gz YEOLIMQWSWXEHL-UHFFFAOYSA-N 1 0 339.439 3.089 40 0 EGABRO CSC[C@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000096437300 454348729 /nfs/dbraw/zinc/34/87/29/454348729.db2.gz QJLKYAZAUWLLPX-ZDUSSCGKSA-N 1 0 332.469 3.320 40 0 EGABRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(F)cc(N3CCCC3)c2)C1 ZINC000096453140 454356254 /nfs/dbraw/zinc/35/62/54/454356254.db2.gz BFMVCHIUJBTTDB-HNNXBMFYSA-N 1 0 348.466 3.231 40 0 EGABRO c1cc(CNC2CC[NH+](C3CCCC3)CC2)c2c(c1)OCCCO2 ZINC000096452790 454356469 /nfs/dbraw/zinc/35/64/69/454356469.db2.gz IHHDQIAFKVZYEU-UHFFFAOYSA-N 1 0 330.472 3.345 40 0 EGABRO O=C(NC[C@@H]1OCCc2sccc21)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000096452105 454356811 /nfs/dbraw/zinc/35/68/11/454356811.db2.gz KSSKTVGDDGZSGT-YOEHRIQHSA-N 1 0 348.512 3.133 40 0 EGABRO O=C(c1ccccc1C(F)(F)F)N1CC[C@@H](Oc2ccncc2)C1 ZINC000120900191 454362514 /nfs/dbraw/zinc/36/25/14/454362514.db2.gz AKJRPTCPFXCZQM-CYBMUJFWSA-N 1 0 336.313 3.394 40 0 EGABRO COc1ccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)cc1NC(C)=O ZINC000096476514 454362739 /nfs/dbraw/zinc/36/27/39/454362739.db2.gz XBMUGDYQLUDHJJ-GUYCJALGSA-N 1 0 340.423 3.308 40 0 EGABRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](C)c2ccsc2)c1 ZINC000096478870 454364047 /nfs/dbraw/zinc/36/40/47/454364047.db2.gz PZEDTZWYPKFARX-QWHCGFSZSA-N 1 0 338.498 3.111 40 0 EGABRO COc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2cccnc2)cc1F ZINC000091061679 454373945 /nfs/dbraw/zinc/37/39/45/454373945.db2.gz BHZMGRDREGEZPA-CYBMUJFWSA-N 1 0 340.402 3.481 40 0 EGABRO O=C1CCC(=O)N1C1CCC([NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000097371123 454433704 /nfs/dbraw/zinc/43/37/04/454433704.db2.gz HNKCZUYWBWACDW-UHFFFAOYSA-N 1 0 344.430 3.122 40 0 EGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(OC(F)F)cc2)C1 ZINC000048326108 454473881 /nfs/dbraw/zinc/47/38/81/454473881.db2.gz UMLPTEMGZMHTSD-ZIAGYGMSSA-N 1 0 340.414 3.386 40 0 EGABRO COC(=O)c1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000048333615 454474953 /nfs/dbraw/zinc/47/49/53/454474953.db2.gz VZHZEDVKCHUDDE-OAHLLOKOSA-N 1 0 347.459 3.249 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)cc1 ZINC000049169463 454537594 /nfs/dbraw/zinc/53/75/94/454537594.db2.gz QCFNJCCWWQATQP-AWEZNQCLSA-N 1 0 325.368 3.328 40 0 biogenic,in-vitro EGABRO O=C(/C=C/c1nc2ccccc2o1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000065607439 454602213 /nfs/dbraw/zinc/60/22/13/454602213.db2.gz PRVGTBSRSHTQQA-DVQDXYAYSA-N 1 0 347.418 3.232 40 0 EGABRO C[NH+]1CCC(NC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000153737653 454827761 /nfs/dbraw/zinc/82/77/61/454827761.db2.gz LCWVIXQRAVPXMB-CYBMUJFWSA-N 1 0 349.784 3.337 40 0 EGABRO O[C@H](c1nccn1Cc1nccn1Cc1ccccc1)c1ccccc1 ZINC000154815808 454932241 /nfs/dbraw/zinc/93/22/41/454932241.db2.gz RAKMRVXHMQTEKJ-FQEVSTJZSA-N 1 0 344.418 3.258 40 0 EGABRO Cc1c(COC(C)C)cccc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000127080517 454936660 /nfs/dbraw/zinc/93/66/60/454936660.db2.gz REYFLPXISBQRBX-MRXNPFEDSA-N 1 0 333.476 3.335 40 0 EGABRO CCN(C)c1ccccc1NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000245344121 455282444 /nfs/dbraw/zinc/28/24/44/455282444.db2.gz XQGYULIXHHVNID-XYJFISCASA-N 1 0 342.487 3.091 40 0 EGABRO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](CC4CCCC4)C3)C2)n1 ZINC000247865214 455651209 /nfs/dbraw/zinc/65/12/09/455651209.db2.gz ILZPYMPNMNPLAJ-LJQANCHMSA-N 1 0 330.472 3.330 40 0 EGABRO COc1ccc(NC(=O)NC[C@H]2C[N@H+](C)C[C@H]2c2cccs2)cc1 ZINC000252516820 455819788 /nfs/dbraw/zinc/81/97/88/455819788.db2.gz XBOVYNUCTICSID-XJKSGUPXSA-N 1 0 345.468 3.224 40 0 EGABRO O[C@H]1C[C@@H](c2ccccc2C(F)(F)F)[N@H+](CC2=CCCOC2)C1 ZINC000253417061 455842092 /nfs/dbraw/zinc/84/20/92/455842092.db2.gz CMNZBURXCCECBS-BBRMVZONSA-N 1 0 327.346 3.160 40 0 EGABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)N2CCC(F)(F)CC2)c1 ZINC000257229036 455880044 /nfs/dbraw/zinc/88/00/44/455880044.db2.gz FWKORTVHIJAOEF-UHFFFAOYSA-N 1 0 331.366 3.079 40 0 EGABRO Cc1ccc(OCC(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@H+]3C)cc1 ZINC000257311490 455889246 /nfs/dbraw/zinc/88/92/46/455889246.db2.gz UJSFNFYJSDTUCE-ICSRJNTNSA-N 1 0 330.472 3.239 40 0 EGABRO COc1ccc(CCC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000260740966 455900455 /nfs/dbraw/zinc/90/04/55/455900455.db2.gz CETJBXQXUUFAFY-INIZCTEOSA-N 1 0 332.488 3.174 40 0 EGABRO O=c1ccccn1CCCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000195557633 455985527 /nfs/dbraw/zinc/98/55/27/455985527.db2.gz TUMFRDVQNCDFMX-KRWDZBQOSA-N 1 0 330.403 3.271 40 0 EGABRO Cc1csc([C@@H](C)[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000195566394 455986458 /nfs/dbraw/zinc/98/64/58/455986458.db2.gz IDBWXOQZXQLZLH-DGCLKSJQSA-N 1 0 343.452 3.177 40 0 EGABRO COc1ccccc1[C@@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)C(C)(C)C ZINC000195570474 455987816 /nfs/dbraw/zinc/98/78/16/455987816.db2.gz JGQPGRCBSNYEHB-MAUKXSAKSA-N 1 0 347.503 3.376 40 0 EGABRO Cc1ccc(C(C)C)c(OCC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000223052306 456052841 /nfs/dbraw/zinc/05/28/41/456052841.db2.gz YUFZXLYGSJEXCH-UHFFFAOYSA-N 1 0 332.488 3.489 40 0 EGABRO Cc1cc(NCCNC(=S)Nc2ccncc2)c2ccccc2[nH+]1 ZINC000225217653 456075997 /nfs/dbraw/zinc/07/59/97/456075997.db2.gz GBFNZHKSJNXFMG-UHFFFAOYSA-N 1 0 337.452 3.337 40 0 EGABRO COc1cccc([C@H](NC(=O)[C@H]2CC[NH2+]C2)c2ccccc2Cl)c1 ZINC000225473653 456085347 /nfs/dbraw/zinc/08/53/47/456085347.db2.gz XDTQTMDOXWYXEO-KSSFIOAISA-N 1 0 344.842 3.164 40 0 EGABRO CC[C@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000225562361 456093223 /nfs/dbraw/zinc/09/32/23/456093223.db2.gz MVNQZMFTEHIOQR-FQEVSTJZSA-N 1 0 344.499 3.187 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(F)cc1C ZINC000225597718 456096387 /nfs/dbraw/zinc/09/63/87/456096387.db2.gz NBGAOOBBYABCET-MRXNPFEDSA-N 1 0 342.480 3.067 40 0 EGABRO COC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225599255 456096750 /nfs/dbraw/zinc/09/67/50/456096750.db2.gz GCQBBOABDWQCEC-HNNXBMFYSA-N 1 0 334.460 3.303 40 0 EGABRO Cc1csc(C(=O)N2CC[C@H]([N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000225684239 456102670 /nfs/dbraw/zinc/10/26/70/456102670.db2.gz VGAOMGSHQYGNHM-KRWDZBQOSA-N 1 0 326.465 3.329 40 0 EGABRO Cc1ncc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c(C2CC2)n1 ZINC000281390665 456220332 /nfs/dbraw/zinc/22/03/32/456220332.db2.gz OYZIRKAUNSZXPM-ORAYPTAESA-N 1 0 338.455 3.084 40 0 EGABRO COCC[N@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CCCc2cccnc21 ZINC000364327053 457562208 /nfs/dbraw/zinc/56/22/08/457562208.db2.gz XHVCQZAIXFFTIY-IBGZPJMESA-N 1 0 336.439 3.484 40 0 EGABRO O=C(c1cccs1)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408611502 457583758 /nfs/dbraw/zinc/58/37/58/457583758.db2.gz SMYXAKKCTWOWRQ-QGZVFWFLSA-N 1 0 326.465 3.411 40 0 EGABRO O=C(c1cccc(F)c1)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408609774 457583929 /nfs/dbraw/zinc/58/39/29/457583929.db2.gz ORPMJTGUCZTKRA-FQEVSTJZSA-N 1 0 338.426 3.489 40 0 EGABRO O=C(c1ccc(F)cc1)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408610652 457584251 /nfs/dbraw/zinc/58/42/51/457584251.db2.gz QZJVULCSQAERLO-FQEVSTJZSA-N 1 0 338.426 3.489 40 0 EGABRO CCC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 ZINC000514289768 458798132 /nfs/dbraw/zinc/79/81/32/458798132.db2.gz DWBYMZQIBAZITB-IRFCIJBXSA-N 1 0 344.499 3.269 40 0 biogenic,in-vitro EGABRO O=C(N1CCC2(CCC[N@H+](Cc3ccccn3)C2)CC1)C1(F)CCC1 ZINC000585099908 459823171 /nfs/dbraw/zinc/82/31/71/459823171.db2.gz XMECPLBMPPZTKW-UHFFFAOYSA-N 1 0 345.462 3.178 40 0 EGABRO COc1ccc(C[NH+]2CC3(C2)C[C@@H](Oc2cccnc2)CS3)cc1 ZINC000585104645 459823863 /nfs/dbraw/zinc/82/38/63/459823863.db2.gz KCZXSUKEQLERQR-GOSISDBHSA-N 1 0 342.464 3.229 40 0 EGABRO CN(C)c1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+]3C)C2)c2ccccc21 ZINC000585102110 459824041 /nfs/dbraw/zinc/82/40/41/459824041.db2.gz RVXCPJPGDBJLLL-OAQYLSRUSA-N 1 0 337.467 3.216 40 0 EGABRO Cc1cnccc1CC[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000585141591 459829528 /nfs/dbraw/zinc/82/95/28/459829528.db2.gz XUBYVQVKOFBSEU-AWEZNQCLSA-N 1 0 343.418 3.071 40 0 EGABRO CC(=O)N[C@H]1CCC[N@H+](Cc2cncc(C)c2)[C@H]1Cc1ccccc1 ZINC000585269149 459832569 /nfs/dbraw/zinc/83/25/69/459832569.db2.gz KNTPVDLPNXIBIB-SFTDATJTSA-N 1 0 337.467 3.102 40 0 EGABRO Cc1ccc(OC[C@@]2(O)C[N@@H+](C3CCC(C)(C)CC3)CC[C@@H]2O)cc1 ZINC000585281750 459832751 /nfs/dbraw/zinc/83/27/51/459832751.db2.gz ALUWTYYVYPIXIF-FPOVZHCZSA-N 1 0 347.499 3.140 40 0 EGABRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)[C@H](CO)[C@@H]1O ZINC000585294457 459834236 /nfs/dbraw/zinc/83/42/36/459834236.db2.gz FWXWSCKNWJYPIB-BHIYHBOVSA-N 1 0 349.833 3.109 40 0 EGABRO COc1ccc(CNC2CC[NH+](CC(C)C)CC2)cc1OC1CC1 ZINC000623352788 460505810 /nfs/dbraw/zinc/50/58/10/460505810.db2.gz NSFLSWLCBGHYQL-UHFFFAOYSA-N 1 0 332.488 3.446 40 0 EGABRO C/C=C/C=C/C(=O)N[C@H](C)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000032580279 518514016 /nfs/dbraw/zinc/51/40/16/518514016.db2.gz IUGYTOHLQNWEEP-PANGETNDSA-N 1 0 341.499 3.144 40 0 EGABRO CN1C(=O)C2(C[C@H]1Cc1ccccc1)CC[NH+](Cc1ccccn1)CC2 ZINC000257218795 536307212 /nfs/dbraw/zinc/30/72/12/536307212.db2.gz DEKXREJCYPDFRW-HXUWFJFHSA-N 1 0 349.478 3.137 40 0 EGABRO C[NH2+][C@@H]1CCC[C@@H](Oc2cccc(F)c2Oc2ccccc2)[C@@H]1O ZINC000257243224 536366638 /nfs/dbraw/zinc/36/66/38/536366638.db2.gz IFYFNUFUNWXQPC-JFIYKMOQSA-N 1 0 331.387 3.498 40 0 EGABRO Cc1[nH]c2ccccc2c1C(=O)N1CCN(c2cc(C)ccn2)CC1 ZINC000162680907 546966592 /nfs/dbraw/zinc/96/65/92/546966592.db2.gz GZGDFIHETQJNHZ-UHFFFAOYSA-N 1 0 334.423 3.142 40 0 EGABRO Cn1cc(C[C@H]2[C@@H](OCC3CC3)CC[N@@H+]2Cc2cccs2)cn1 ZINC000306127193 547459859 /nfs/dbraw/zinc/45/98/59/547459859.db2.gz FRHQVYCZNZABFR-ROUUACIJSA-N 1 0 331.485 3.094 40 0 EGABRO CSc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228934346 564118154 /nfs/dbraw/zinc/11/81/54/564118154.db2.gz CFDMOLYZDJIMKR-UHFFFAOYSA-N 1 0 340.456 3.216 40 0 EGABRO COc1ccccc1C[NH2+]CCc1cc(OC)c(OC)c(OC)c1 ZINC000200457543 564132866 /nfs/dbraw/zinc/13/28/66/564132866.db2.gz USPSMWCGHVXKMN-UHFFFAOYSA-N 1 0 331.412 3.053 40 0 in-vitro EGABRO CCCC[NH+](CCCC)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000006322964 1291042588 /nfs/dbraw/zinc/04/25/88/1291042588.db2.gz HCZAKXDUDKFKNB-SFHVURJKSA-N 1 0 336.476 3.287 40 0 EGABRO Clc1cccc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019293427 202003046 /nfs/dbraw/zinc/00/30/46/202003046.db2.gz JQOZLUHFJJHFAF-QGZVFWFLSA-N 1 0 328.847 3.113 40 0 EGABRO Nc1cccc(Oc2cc([C@@H]3CCC[NH2+]C3)nc(-c3ccncc3)n2)c1 ZINC000019330994 202004096 /nfs/dbraw/zinc/00/40/96/202004096.db2.gz BZKDJECIZHZXQH-OAHLLOKOSA-N 1 0 347.422 3.380 40 0 EGABRO COc1cccc(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1OC ZINC000019567950 202011326 /nfs/dbraw/zinc/01/13/26/202011326.db2.gz BKVRQJVVBDBNDZ-JZXOWHBKSA-N 1 0 330.472 3.010 40 0 EGABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc(Oc2ccccc2)c1 ZINC000019575290 202012417 /nfs/dbraw/zinc/01/24/17/202012417.db2.gz LJDBOVSRUAMIBV-NZSAHSFTSA-N 1 0 338.451 3.118 40 0 EGABRO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000040013640 213249946 /nfs/dbraw/zinc/24/99/46/213249946.db2.gz JFSGYWHPLLUQSZ-LIRRHRJNSA-N 1 0 345.414 3.461 40 0 EGABRO COc1ccc(OC)c(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019842194 202024358 /nfs/dbraw/zinc/02/43/58/202024358.db2.gz ZWJZTTGEYYUYPC-SQNIBIBYSA-N 1 0 342.483 3.034 40 0 EGABRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000040030763 202166545 /nfs/dbraw/zinc/16/65/45/202166545.db2.gz YYQUAVGGFGYAAI-UHFFFAOYSA-N 1 0 326.415 3.482 40 0 EGABRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)/C=C/c1ccncc1 ZINC000077140380 202383785 /nfs/dbraw/zinc/38/37/85/202383785.db2.gz RHFOZEKTCMDBOH-GFOMBABLSA-N 1 0 335.451 3.218 40 0 EGABRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2sccc2Cl)cc1 ZINC000285883971 201332692 /nfs/dbraw/zinc/33/26/92/201332692.db2.gz CCGMOVPDMZSAFN-CQSZACIVSA-N 1 0 338.860 3.443 40 0 EGABRO O=C(CCc1ccncc1)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019405074 283797377 /nfs/dbraw/zinc/79/73/77/283797377.db2.gz VXCZVZZMMSWCTR-IBGZPJMESA-N 1 0 329.488 3.271 40 0 EGABRO Nc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccn1 ZINC000193402025 240151471 /nfs/dbraw/zinc/15/14/71/240151471.db2.gz AHKXTCYGHZPTFY-PMACEKPBSA-N 1 0 336.483 3.150 40 0 EGABRO O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000195555024 241003659 /nfs/dbraw/zinc/00/36/59/241003659.db2.gz GSSSNCUYSNMLCH-ZBFHGGJFSA-N 1 0 340.389 3.457 40 0 EGABRO CC[C@@H](Oc1ccccc1C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000216285429 241179477 /nfs/dbraw/zinc/17/94/77/241179477.db2.gz DMEVBVYVMYZTHX-GOSISDBHSA-N 1 0 332.488 3.391 40 0 EGABRO COc1cccc([C@@H](NC(=O)[C@H]2CC[NH2+]C2)c2ccccc2Cl)c1 ZINC000225473685 241882453 /nfs/dbraw/zinc/88/24/53/241882453.db2.gz XDTQTMDOXWYXEO-KBXCAEBGSA-N 1 0 344.842 3.164 40 0 EGABRO Cc1cncc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000225790027 242038557 /nfs/dbraw/zinc/03/85/57/242038557.db2.gz YLUGXTBWYVCLAN-KRWDZBQOSA-N 1 0 346.862 3.146 40 0 EGABRO CCOc1cc(C(=O)NCC[NH+](CC)CC)nc2cc(Cl)ccc21 ZINC000001706245 201517855 /nfs/dbraw/zinc/51/78/55/201517855.db2.gz FFXFOYSTRUSZSD-UHFFFAOYSA-N 1 0 349.862 3.359 40 0 EGABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2CCc2ccc(F)cc2)n1 ZINC000257207559 244138933 /nfs/dbraw/zinc/13/89/33/244138933.db2.gz BIHOLZBFQMCQFZ-FQEVSTJZSA-N 1 0 341.430 3.236 40 0 EGABRO Cc1ncc(-c2nccnc2CC2CC[NH+](CC(C)C)CC2)n1C ZINC000257223377 244190796 /nfs/dbraw/zinc/19/07/96/244190796.db2.gz DXBHBRKCLWHMQO-UHFFFAOYSA-N 1 0 327.476 3.096 40 0 EGABRO c1ccc(CC[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377571 203209776 /nfs/dbraw/zinc/20/97/76/203209776.db2.gz PTOVMDNXRSCZJI-GOSISDBHSA-N 1 0 346.438 3.390 40 0 EGABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3ccnc3C)n2)cn1 ZINC000072355506 203205374 /nfs/dbraw/zinc/20/53/74/203205374.db2.gz HGYVJZRGOJMJGU-GOSISDBHSA-N 1 0 336.443 3.129 40 0 EGABRO Cc1ccnc(NC(=O)CCc2cc(C)nc([C@H]3CCC[N@H+]3C)c2)c1 ZINC000072366935 203208205 /nfs/dbraw/zinc/20/82/05/203208205.db2.gz ICUSSGWXLYMJLV-GOSISDBHSA-N 1 0 338.455 3.431 40 0 EGABRO C[C@]12CCCN(C(=O)c3cc(-c4cccc(F)c4)no3)[C@@H]1CCC[NH2+]2 ZINC000257264511 244354691 /nfs/dbraw/zinc/35/46/91/244354691.db2.gz LUSSFOHICRHWJC-MJGOQNOKSA-N 1 0 343.402 3.227 40 0 EGABRO Cc1cc(NC(=O)CC2CC[NH+](C)CC2)ccc1Br ZINC000074921056 203297737 /nfs/dbraw/zinc/29/77/37/203297737.db2.gz DWOOJZFOGOYZJG-UHFFFAOYSA-N 1 0 325.250 3.428 40 0 EGABRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)ccc1Br ZINC000046860243 204336772 /nfs/dbraw/zinc/33/67/72/204336772.db2.gz JUFSUFKRSMJUJJ-LLVKDONJSA-N 1 0 343.240 3.192 40 0 EGABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000048309711 204346487 /nfs/dbraw/zinc/34/64/87/204346487.db2.gz ADKQBIMUXYEMLN-DGCLKSJQSA-N 1 0 345.270 3.361 40 0 EGABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccn4)C3)o2)cc1 ZINC000049170227 204370225 /nfs/dbraw/zinc/37/02/25/204370225.db2.gz RGNIVPCVUKEYCL-INIZCTEOSA-N 1 0 349.438 3.187 40 0 biogenic,in-vitro EGABRO C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccc([S@](C)=O)cc1 ZINC000095423592 218366407 /nfs/dbraw/zinc/36/64/07/218366407.db2.gz YIFAOOGNRFZBDY-DAOPMYJZSA-N 1 0 339.407 3.432 40 0 EGABRO CN(C)c1nc(CN2CCC(c3cc4ccccc4[nH]3)CC2)ns1 ZINC000095431080 218373633 /nfs/dbraw/zinc/37/36/33/218373633.db2.gz DAGHPNNSWXXDFM-UHFFFAOYSA-N 1 0 341.484 3.465 40 0 EGABRO NC(=O)C1CC[NH+](CCc2ccc(NCc3ccsc3)cc2)CC1 ZINC000096482834 218857818 /nfs/dbraw/zinc/85/78/18/218857818.db2.gz KZVVXBVACUTMRI-UHFFFAOYSA-N 1 0 343.496 3.100 40 0 EGABRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000097379793 219019763 /nfs/dbraw/zinc/01/97/63/219019763.db2.gz JOUJQYFLIIHUSD-ZIAGYGMSSA-N 1 0 325.840 3.270 40 0 EGABRO CCC[NH2+]Cc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007262383 453052435 /nfs/dbraw/zinc/05/24/35/453052435.db2.gz GFGHQOOTNRRKPV-UHFFFAOYSA-N 1 0 331.368 3.019 40 0 EGABRO COc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1cccc(Cl)c1 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EGABRO CCOC(CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)OCC ZINC000015042311 453553073 /nfs/dbraw/zinc/55/30/73/453553073.db2.gz OKRPHLCEJVQGJB-HNNXBMFYSA-N 1 0 344.496 3.155 40 0 EGABRO CC(C)(C)CC(=O)N=c1[nH]c2ccccc2n1CC[NH+]1CCCCC1 ZINC000028227434 453822639 /nfs/dbraw/zinc/82/26/39/453822639.db2.gz AEGGJRYVNIBOQF-UHFFFAOYSA-N 1 0 342.487 3.319 40 0 EGABRO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1ccccn1 ZINC000032502459 453876127 /nfs/dbraw/zinc/87/61/27/453876127.db2.gz IFUNMIKPPNHVSI-UHFFFAOYSA-N 1 0 349.438 3.170 40 0 EGABRO C[NH+](C)[C@@H](CNc1ncc(Br)cn1)c1cccs1 ZINC000067346676 453922944 /nfs/dbraw/zinc/92/29/44/453922944.db2.gz BWMXBTKTCVCADK-JTQLQIEISA-N 1 0 327.251 3.015 40 0 EGABRO COc1ccc(NC(=O)N2CCCSC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000085473226 454030694 /nfs/dbraw/zinc/03/06/94/454030694.db2.gz KXAZXZWLLMOJAX-INIZCTEOSA-N 1 0 349.500 3.130 40 0 EGABRO CCOc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000044080798 454088574 /nfs/dbraw/zinc/08/85/74/454088574.db2.gz 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/nfs/dbraw/zinc/16/94/54/527169454.db2.gz MZBGMMSDDMTXFA-UHFFFAOYSA-N 1 0 343.393 3.116 40 0 EGABRO CC(C)[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)cc1F ZINC000182080083 529117316 /nfs/dbraw/zinc/11/73/16/529117316.db2.gz QOGJPJXYVAVTIF-HNNXBMFYSA-N 1 0 327.831 3.309 40 0 EGABRO CCCn1cc(C[NH+]2CCC(c3ccn4nc(C)cc4n3)CC2)cn1 ZINC000257255799 535608146 /nfs/dbraw/zinc/60/81/46/535608146.db2.gz KIXCBTCFBZUVPC-UHFFFAOYSA-N 1 0 338.459 3.024 40 0 EGABRO CO[C@H]1CCCOC12CC[NH+](Cc1ccnc3ccccc13)CC2 ZINC000257253550 536713590 /nfs/dbraw/zinc/71/35/90/536713590.db2.gz JZIXNZZRZCFNGK-IBGZPJMESA-N 1 0 326.440 3.395 40 0 EGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C[NH3+])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000218578245 547240467 /nfs/dbraw/zinc/24/04/67/547240467.db2.gz NTOUEURIXZHWAP-YESZJQIVSA-N 1 0 335.856 3.163 40 0 EGABRO CC1CCC([N@H+](C)CC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000053837157 214201621 /nfs/dbraw/zinc/20/16/21/214201621.db2.gz UAEJVLPQYUOBQU-UHFFFAOYSA-N 1 0 343.471 3.262 40 0 EGABRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COCC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000007063406 201712572 /nfs/dbraw/zinc/71/25/72/201712572.db2.gz JGQVYNOGQITPDG-ZCNNSNEGSA-N 1 0 329.484 3.488 40 0 EGABRO [NH3+][C@H]1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 ZINC000019293987 202002729 /nfs/dbraw/zinc/00/27/29/202002729.db2.gz YHCUJTSZBVCUGF-AWEZNQCLSA-N 1 0 335.386 3.237 40 0 EGABRO C[C@@H]1Cc2cc(C(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)ccc2O1 ZINC000019497945 202008056 /nfs/dbraw/zinc/00/80/56/202008056.db2.gz DXBQMFKXZZKHGX-VQIMIIECSA-N 1 0 342.483 3.491 40 0 EGABRO CC(C)C[C@@H](c1nnnn1C(C)C)N1CC[NH+](C2CCCCC2)CC1 ZINC000020140388 202034343 /nfs/dbraw/zinc/03/43/43/202034343.db2.gz LEDMJHXQPUROMK-SFHVURJKSA-N 1 0 348.539 3.292 40 0 EGABRO CCOC(=O)c1ccc(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000040049540 202166672 /nfs/dbraw/zinc/16/66/72/202166672.db2.gz MREAOJRNFRFMKQ-HNNXBMFYSA-N 1 0 347.459 3.249 40 0 EGABRO CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](CC)C1 ZINC000028252243 202168024 /nfs/dbraw/zinc/16/80/24/202168024.db2.gz MYNOUXJLOHVSMQ-DNVCBOLYSA-N 1 0 337.467 3.296 40 0 EGABRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C)n1)c1cccc(OC)c1 ZINC000037163008 202336548 /nfs/dbraw/zinc/33/65/48/202336548.db2.gz DCCGUNFJTRNZHX-IBGZPJMESA-N 1 0 341.455 3.212 40 0 EGABRO COc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc2occc21 ZINC000071195344 202341187 /nfs/dbraw/zinc/34/11/87/202341187.db2.gz UYOYHMYAEGDJTC-UHFFFAOYSA-N 1 0 330.428 3.480 40 0 EGABRO O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000074335172 202373167 /nfs/dbraw/zinc/37/31/67/202373167.db2.gz UCJAYCXXTWQRQR-SFHVURJKSA-N 1 0 337.423 3.048 40 0 EGABRO FC(F)(F)c1ccc(CN2CCC[N@H+](C[C@H]3CCOC3)CC2)cc1 ZINC000330033286 201363247 /nfs/dbraw/zinc/36/32/47/201363247.db2.gz YQPPKPJTNYWJCP-MRXNPFEDSA-N 1 0 342.405 3.250 40 0 EGABRO C[NH+](C)CCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000044885418 202530382 /nfs/dbraw/zinc/53/03/82/202530382.db2.gz OHJGTLPFKIFFMK-UHFFFAOYSA-N 1 0 335.300 3.295 40 0 EGABRO Cc1ccc(C(=O)Nc2cccc(C[NH2+]CCN3CCCC3)c2)cc1 ZINC000023480230 212380363 /nfs/dbraw/zinc/38/03/63/212380363.db2.gz ZBIXGVSTNGDVFS-UHFFFAOYSA-N 1 0 337.467 3.433 40 0 EGABRO CC[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000022584103 212308249 /nfs/dbraw/zinc/30/82/49/212308249.db2.gz QHONLYLALCLSEO-QGZVFWFLSA-N 1 0 337.467 3.318 40 0 EGABRO CC(=O)Nc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000022095715 212277273 /nfs/dbraw/zinc/27/72/73/212277273.db2.gz FZOHUOJMVCQXKD-GOSISDBHSA-N 1 0 327.428 3.165 40 0 EGABRO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000225804744 242045380 /nfs/dbraw/zinc/04/53/80/242045380.db2.gz CZUHJYVSZLKYSQ-SFHVURJKSA-N 1 0 341.455 3.307 40 0 EGABRO c1cc2n(n1)[C@@H](CCOCc1ccccn1)C[N@@H+](C1CCCC1)C2 ZINC000253588886 244027873 /nfs/dbraw/zinc/02/78/73/244027873.db2.gz XYFUJUFKNMQIBF-IBGZPJMESA-N 1 0 326.444 3.184 40 0 EGABRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1coc2ccccc12 ZINC000092585444 203086688 /nfs/dbraw/zinc/08/66/88/203086688.db2.gz MUZQIRJRVNQBRA-CYBMUJFWSA-N 1 0 344.436 3.273 40 0 EGABRO Cc1cc2ccccc2n1CC(=O)N1CCCCC[C@H]2[NH2+]CC[C@@H]21 ZINC000257230736 244213982 /nfs/dbraw/zinc/21/39/82/244213982.db2.gz GDRHEFRQCVOOIZ-MJGOQNOKSA-N 1 0 325.456 3.083 40 0 EGABRO Cc1nccn1-c1cccc(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000072379060 203210318 /nfs/dbraw/zinc/21/03/18/203210318.db2.gz FAIXPKMTDJSSFC-UHFFFAOYSA-N 1 0 333.439 3.350 40 0 EGABRO O[C@]1(c2ccc(F)cc2)CCC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000072340437 203202897 /nfs/dbraw/zinc/20/28/97/203202897.db2.gz JYZMRAZKRRPYGD-DBVUQKKJSA-N 1 0 326.415 3.340 40 0 EGABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cc1 ZINC000072355444 203204334 /nfs/dbraw/zinc/20/43/34/203204334.db2.gz DYLDDWCYTGEHCU-MRXNPFEDSA-N 1 0 337.402 3.181 40 0 EGABRO COCC[N@@H+]1CCC[C@@H](c2cncc(Oc3ccccc3OC)n2)C1 ZINC000072361793 203206542 /nfs/dbraw/zinc/20/65/42/203206542.db2.gz RXWURUKYECKVEB-OAHLLOKOSA-N 1 0 343.427 3.103 40 0 EGABRO c1ccc(CC[NH+]2CCC3(CO[C@H](Cc4cnccn4)C3)CC2)cc1 ZINC000257246509 244258956 /nfs/dbraw/zinc/25/89/56/244258956.db2.gz IUJSIGJJTHOEKI-HXUWFJFHSA-N 1 0 337.467 3.133 40 0 EGABRO Fc1ccc(-c2cc(C[NH2+]CCc3ccccc3)c3nnnn3c2)cc1 ZINC000072392344 203214186 /nfs/dbraw/zinc/21/41/86/203214186.db2.gz NORNNHURHXUCTA-UHFFFAOYSA-N 1 0 347.397 3.263 40 0 EGABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(C)n2)cc1CO ZINC000257266000 244362017 /nfs/dbraw/zinc/36/20/17/244362017.db2.gz MBEPKGADLJAXBU-GOSISDBHSA-N 1 0 327.428 3.013 40 0 EGABRO Cc1cccc(C[NH+]2CCC(c3ccc4sc(N)nc4n3)CC2)n1 ZINC000257271674 244378977 /nfs/dbraw/zinc/37/89/77/244378977.db2.gz MZHPHIZRJWZVIC-UHFFFAOYSA-N 1 0 339.468 3.357 40 0 EGABRO C[C@]12CCCN(C(=O)c3cc(-c4ccccc4F)no3)[C@@H]1CCC[NH2+]2 ZINC000257262779 244353641 /nfs/dbraw/zinc/35/36/41/244353641.db2.gz LMWIMCIBMHVUCZ-MJGOQNOKSA-N 1 0 343.402 3.227 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)cc1 ZINC000107751988 204247818 /nfs/dbraw/zinc/24/78/18/204247818.db2.gz BSSPCZNYZFNVOZ-RTWAWAEBSA-N 1 0 345.483 3.493 40 0 EGABRO CCOc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1OCC ZINC000046701466 204336601 /nfs/dbraw/zinc/33/66/01/204336601.db2.gz YXDLXGAVNJQIGH-UHFFFAOYSA-N 1 0 334.460 3.088 40 0 EGABRO Cn1cncc1-c1nnc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)o1 ZINC000049170442 204369222 /nfs/dbraw/zinc/36/92/22/204369222.db2.gz OFFLEJIXSGGNPG-ZDUSSCGKSA-N 1 0 343.818 3.113 40 0 biogenic,in-vitro EGABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)N2CCCC2)Cc2c[nH]c3cccc1c23 ZINC000049171426 204369927 /nfs/dbraw/zinc/36/99/27/204369927.db2.gz OBLVYAQFRYSLPK-ROUUACIJSA-N 1 0 325.456 3.392 40 0 biogenic,in-vitro EGABRO CS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000110646107 220050954 /nfs/dbraw/zinc/05/09/54/220050954.db2.gz PQZVUHZHPRKMHH-YNEHKIRRSA-N 1 0 338.439 3.003 40 0 EGABRO C[NH+](C)CCCN1C[C@@H](COc2ccccc2)O[C@@H]1c1ccccc1 ZINC000000517202 205478213 /nfs/dbraw/zinc/47/82/13/205478213.db2.gz MUPODHJCHSNYDG-LEWJYISDSA-N 1 0 340.467 3.417 40 0 biogenic EGABRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1c(F)cccc1F ZINC000264273296 246274800 /nfs/dbraw/zinc/27/48/00/246274800.db2.gz HVVZEZXTANGZNF-ZIAGYGMSSA-N 1 0 337.414 3.296 40 0 EGABRO O=C(Nc1nnc(CC[NH+]2CCCCC2)s1)Nc1ccccc1 ZINC000095116500 218282239 /nfs/dbraw/zinc/28/22/39/218282239.db2.gz MSYITYCSFMNCPE-UHFFFAOYSA-N 1 0 331.445 3.211 40 0 EGABRO COC(=O)c1ccc(C[N@H+](C)C2CCN(c3ccccn3)CC2)s1 ZINC000095411644 218349195 /nfs/dbraw/zinc/34/91/95/218349195.db2.gz VTQLXSDRBQSDBZ-UHFFFAOYSA-N 1 0 345.468 3.031 40 0 EGABRO CSc1cccc(N(C(=O)c2cc(C)no2)C2CC[NH+](C)CC2)c1 ZINC000112247808 220273136 /nfs/dbraw/zinc/27/31/36/220273136.db2.gz JJFZFADFQFZNKW-UHFFFAOYSA-N 1 0 345.468 3.446 40 0 EGABRO CCc1c(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cnn1CC(C)C ZINC000096491534 218869171 /nfs/dbraw/zinc/86/91/71/218869171.db2.gz LMIOVLYVUVQXMX-INIZCTEOSA-N 1 0 347.507 3.051 40 0 EGABRO COc1ccc2c(c1)C1(C[C@@H]2[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000079027396 286387064 /nfs/dbraw/zinc/38/70/64/286387064.db2.gz ZJUZFFVXVMFGPU-INIZCTEOSA-N 1 0 332.444 3.367 40 0 EGABRO Brc1ccc(N2CC[C@@H]([NH2+]Cc3cccnc3)C2)cc1 ZINC000096403982 273473528 /nfs/dbraw/zinc/47/35/28/273473528.db2.gz QZXKIVMBGCSOKZ-OAHLLOKOSA-N 1 0 332.245 3.213 40 0 EGABRO [NH3+][C@@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218590339 274960631 /nfs/dbraw/zinc/96/06/31/274960631.db2.gz BMUIPYHQWSFTLI-KFWWJZLASA-N 1 0 342.247 3.260 40 0 EGABRO c1coc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC000096057055 275074484 /nfs/dbraw/zinc/07/44/84/275074484.db2.gz BUNNGOZKQABPMI-MJGOQNOKSA-N 1 0 328.412 3.125 40 0 EGABRO FCCN1CCC2(CC1)C[C@@H]([NH2+]C1CCOCC1)c1ccccc1O2 ZINC000096242735 279455193 /nfs/dbraw/zinc/45/51/93/279455193.db2.gz QOXHMROPQIKQRN-GOSISDBHSA-N 1 0 348.462 3.083 40 0 EGABRO Cc1cccc(C(=O)N2CCCC[C@H]2c2nc(C)cc3c[nH+]cn32)n1 ZINC000257257965 281189999 /nfs/dbraw/zinc/18/99/99/281189999.db2.gz KRUVRVZGYZFBGB-KRWDZBQOSA-N 1 0 335.411 3.109 40 0 EGABRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000019082429 289190404 /nfs/dbraw/zinc/19/04/04/289190404.db2.gz NDTCEBAFKYOHDQ-GJZGRUSLSA-N 1 0 347.503 3.382 40 0 EGABRO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCc2nnc3n2CCCCC3)C1 ZINC000129230829 294678368 /nfs/dbraw/zinc/67/83/68/294678368.db2.gz MCWBQMMZCDVAIU-QWHCGFSZSA-N 1 0 330.398 3.258 40 0 EGABRO Fc1ccc([C@H]2OCC[C@H]2[NH2+]C2CCC3(CC2)OCCO3)cc1F ZINC000157045716 294749794 /nfs/dbraw/zinc/74/97/94/294749794.db2.gz LZFPSZZKYDIPBF-IAGOWNOFSA-N 1 0 339.382 3.070 40 0 EGABRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+](C)CCc1ccc(Cl)cc1 ZINC000113266099 323216263 /nfs/dbraw/zinc/21/62/63/323216263.db2.gz WKULRCIQXPXTAM-AWEZNQCLSA-N 1 0 348.878 3.192 40 0 EGABRO C[C@@H](CC(=O)Nc1ccc(-c2csnn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000151702906 323220844 /nfs/dbraw/zinc/22/08/44/323220844.db2.gz QJSPMJBFSIVEHX-GXTWGEPZSA-N 1 0 330.457 3.169 40 0 EGABRO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc[nH]c3C)CC[N@@H+]2C2CC2)c1 ZINC000183255353 455262277 /nfs/dbraw/zinc/26/22/77/455262277.db2.gz ANAFSCMZWPJOLC-RBUKOAKNSA-N 1 0 339.439 3.040 40 0 EGABRO Cc1[nH]nc2ncc(NC(=O)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000240278328 455263886 /nfs/dbraw/zinc/26/38/86/455263886.db2.gz DQMJJHVSTCCIJS-MRXNPFEDSA-N 1 0 349.438 3.117 40 0 EGABRO COc1cc(C)cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000241338692 455266718 /nfs/dbraw/zinc/26/67/18/455266718.db2.gz MDBHSGQXQWRMND-MRXNPFEDSA-N 1 0 331.460 3.262 40 0 EGABRO CC(C)c1ccc(OC[C@H](O)C[n+]2cn(C)c3ccccc32)cc1 ZINC000000098599 452506681 /nfs/dbraw/zinc/50/66/81/452506681.db2.gz SJLWHYNBMRXPMQ-QGZVFWFLSA-N 1 0 325.432 3.029 40 0 EGABRO COc1ccc(NC(=S)NCCC[NH+]2CCCC2)cc1Cl ZINC000004908567 452826036 /nfs/dbraw/zinc/82/60/36/452826036.db2.gz SYUHOYHWUXDYGJ-UHFFFAOYSA-N 1 0 327.881 3.121 40 0 EGABRO O=C(C[NH2+]C1CCCC1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000004894433 452826423 /nfs/dbraw/zinc/82/64/23/452826423.db2.gz BOXKGIZAZIIVON-UHFFFAOYSA-N 1 0 343.471 3.174 40 0 EGABRO CCOc1cc2c(cc1OCC)[C@@H](c1[nH]c(CC)nc1C)[NH2+]CC2 ZINC000005686677 452896262 /nfs/dbraw/zinc/89/62/62/452896262.db2.gz CKLJQZXCQMLTJE-IBGZPJMESA-N 1 0 329.444 3.313 40 0 EGABRO COc1ccc([C@@H]([NH3+])CCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000006484485 452946930 /nfs/dbraw/zinc/94/69/30/452946930.db2.gz OHZHRAAIHQESPM-INIZCTEOSA-N 1 0 331.412 3.354 40 0 EGABRO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Br)c1OCC ZINC000008326264 453192324 /nfs/dbraw/zinc/19/23/24/453192324.db2.gz JWXRYPQDOSTVIU-LBPRGKRZSA-N 1 0 346.265 3.107 40 0 EGABRO O=C(CSCc1c(F)cccc1Cl)NCCC[NH+]1CCCC1 ZINC000010450028 453291753 /nfs/dbraw/zinc/29/17/53/453291753.db2.gz RELUAGNBZDQZRT-UHFFFAOYSA-N 1 0 344.883 3.314 40 0 EGABRO Cc1ccc2c(c1)CN(C(=O)c1cccs1)[C@H](C[NH+](C)C)CO2 ZINC000012406642 453361275 /nfs/dbraw/zinc/36/12/75/453361275.db2.gz ZPMXZQPJLZTZSJ-OAHLLOKOSA-N 1 0 330.453 3.022 40 0 EGABRO C[C@@H](Oc1ccccc1F)C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019078930 453653260 /nfs/dbraw/zinc/65/32/60/453653260.db2.gz YTAJGOVMCLMKEX-IAGOWNOFSA-N 1 0 348.462 3.460 40 0 EGABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)C1CCCC1 ZINC000019589204 453657609 /nfs/dbraw/zinc/65/76/09/453657609.db2.gz XATOLWKZEFLATN-GUDVDZBRSA-N 1 0 330.447 3.405 40 0 EGABRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)OCO2)c1ccsc1 ZINC000031987634 453860470 /nfs/dbraw/zinc/86/04/70/453860470.db2.gz LXJCIUMXLHRCJA-HNNXBMFYSA-N 1 0 346.452 3.290 40 0 EGABRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1Cc2ccccc2O1 ZINC000032761915 453889109 /nfs/dbraw/zinc/88/91/09/453889109.db2.gz BNCXYRXEONLWIS-NVXWUHKLSA-N 1 0 342.464 3.005 40 0 EGABRO Cc1ccc2nc(C[N@@H+]3CCC[C@H]3c3cccc(F)c3)cc(=O)n2c1 ZINC000053717963 453893611 /nfs/dbraw/zinc/89/36/11/453893611.db2.gz XSNRGZXXGONGGH-SFHVURJKSA-N 1 0 337.398 3.479 40 0 EGABRO COc1ccc(OC[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)cc1O ZINC000044136311 454089858 /nfs/dbraw/zinc/08/98/58/454089858.db2.gz HEJVUVGUVCOISV-YOEHRIQHSA-N 1 0 331.387 3.312 40 0 in-vitro EGABRO Cc1nc(COC[C@@]23CCCO[C@H]2CC[N@H+](CC2CC2)C3)cs1 ZINC000096040154 454266608 /nfs/dbraw/zinc/26/66/08/454266608.db2.gz VGKOROHGTRPXKC-ROUUACIJSA-N 1 0 336.501 3.249 40 0 EGABRO O=C(NCc1cccs1)[C@H]1CO[C@H]2CC[N@@H+](C3CCCC3)C[C@H]2C1 ZINC000096042665 454268340 /nfs/dbraw/zinc/26/83/40/454268340.db2.gz KPFXUZSBXKWIJE-RKVPGOIHSA-N 1 0 348.512 3.034 40 0 EGABRO O=C1CCC2(CC[NH+](Cc3ccncc3)CC2)N1Cc1ccccc1 ZINC000096049422 454271016 /nfs/dbraw/zinc/27/10/16/454271016.db2.gz QYDXJCLPJRLJOU-UHFFFAOYSA-N 1 0 335.451 3.239 40 0 EGABRO c1cc(C[NH+]2CCC3(CC2)CN(Cc2cccnc2)CCO3)cs1 ZINC000096048932 454271759 /nfs/dbraw/zinc/27/17/59/454271759.db2.gz NBGVEPCYOQBELU-UHFFFAOYSA-N 1 0 343.496 3.010 40 0 EGABRO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(=O)c3cccs3)C[C@H]12 ZINC000096058431 454275846 /nfs/dbraw/zinc/27/58/46/454275846.db2.gz ZWCRZQUNDFXQRC-HKUYNNGSSA-N 1 0 326.465 3.236 40 0 EGABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1cccs1)[C@@H]2C ZINC000096061996 454278022 /nfs/dbraw/zinc/27/80/22/454278022.db2.gz HQOGTEILRDWEDL-CYBMUJFWSA-N 1 0 332.473 3.002 40 0 EGABRO O=C(CC1CCCC1)N1CCCC2(CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000096071842 454280410 /nfs/dbraw/zinc/28/04/10/454280410.db2.gz XPSYVPOYOXJJOD-LJQANCHMSA-N 1 0 348.531 3.450 40 0 EGABRO COC[C@H]1CC2(CO1)CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000096105809 454283756 /nfs/dbraw/zinc/28/37/56/454283756.db2.gz OZYIKXIFEWYWCA-GOSISDBHSA-N 1 0 326.440 3.252 40 0 EGABRO Cc1ccsc1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC000096109017 454286131 /nfs/dbraw/zinc/28/61/31/454286131.db2.gz SWJRMBCBANPNJV-APWZRJJASA-N 1 0 344.480 3.117 40 0 EGABRO Cc1ccc(N2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)nn1 ZINC000096158377 454295736 /nfs/dbraw/zinc/29/57/36/454295736.db2.gz WHQPADNEXGUQQA-UHFFFAOYSA-N 1 0 337.471 3.063 40 0 EGABRO O=C(c1cccc(Cl)c1)N1CCC2(C[C@H]([NH+]3CCCC3)CO2)CC1 ZINC000096158653 454295870 /nfs/dbraw/zinc/29/58/70/454295870.db2.gz XIVCTAOLHASOAT-KRWDZBQOSA-N 1 0 348.874 3.200 40 0 EGABRO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccs2)n1 ZINC000096186524 454298944 /nfs/dbraw/zinc/29/89/44/454298944.db2.gz JCGJLVVULYJXSB-QZTJIDSGSA-N 1 0 341.480 3.217 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2ccc(F)cc2)o1 ZINC000096184700 454299390 /nfs/dbraw/zinc/29/93/90/454299390.db2.gz BERIAMSAXKSUQQ-RBUKOAKNSA-N 1 0 342.414 3.145 40 0 EGABRO Cc1ccccc1CCC(=O)N1CC[C@@]2(C1)CCC[C@@H](C[NH+](C)C)O2 ZINC000096206756 454304684 /nfs/dbraw/zinc/30/46/84/454304684.db2.gz SDYHQTPEXCZHJI-PZJWPPBQSA-N 1 0 344.499 3.029 40 0 EGABRO O=C(CC1CC1)N[C@H]1COCCC12CC[NH+](Cc1cccs1)CC2 ZINC000096209792 454305584 /nfs/dbraw/zinc/30/55/84/454305584.db2.gz XPMNOAWABJXXSQ-KRWDZBQOSA-N 1 0 348.512 3.036 40 0 EGABRO Cc1nc(C[NH+]2CCC3(CC[C@@H](C(=O)N4CCCC4)C3)CC2)cs1 ZINC000096227864 454308319 /nfs/dbraw/zinc/30/83/19/454308319.db2.gz YPRILVUYFJBZEL-MRXNPFEDSA-N 1 0 347.528 3.456 40 0 EGABRO Cc1nc(-c2ccccn2)sc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000060669934 454310220 /nfs/dbraw/zinc/31/02/20/454310220.db2.gz DDTPRKJOWQQMTR-ZDUSSCGKSA-N 1 0 344.484 3.118 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccccc2)C[C@]12CCN(c1ncccn1)C2 ZINC000096239683 454311997 /nfs/dbraw/zinc/31/19/97/454311997.db2.gz DAKBFDRGPWJNAT-SFHVURJKSA-N 1 0 344.409 3.214 40 0 EGABRO CCc1ccc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)o1 ZINC000096255312 454312733 /nfs/dbraw/zinc/31/27/33/454312733.db2.gz FYAFTMKLZJLBHX-UHFFFAOYSA-N 1 0 334.423 3.295 40 0 EGABRO CCC[C@@H]([NH2+]Cc1cccc(O)c1)C(=O)N1CCc2sccc2C1 ZINC000096403574 454322305 /nfs/dbraw/zinc/32/23/05/454322305.db2.gz RXBDOPMGAYVLTN-QGZVFWFLSA-N 1 0 344.480 3.297 40 0 EGABRO Brc1ccc(N2CC[C@H]([NH2+]Cc3ccncc3)C2)cc1 ZINC000096403984 454322407 /nfs/dbraw/zinc/32/24/07/454322407.db2.gz BVXLTIFZVBVQDT-HNNXBMFYSA-N 1 0 332.245 3.213 40 0 EGABRO O=C(c1ncoc1[C@@H]1CCCO1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000096406355 454324536 /nfs/dbraw/zinc/32/45/36/454324536.db2.gz YHCZQZCAOAWVOR-CVEARBPZSA-N 1 0 347.459 3.007 40 0 EGABRO Cc1nccn1Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC000096427197 454340546 /nfs/dbraw/zinc/34/05/46/454340546.db2.gz UICMZCRIEZLHII-LJQANCHMSA-N 1 0 340.471 3.441 40 0 EGABRO C[NH+](C)[C@H](CNc1nccc2c1C(=O)OC2(C)C)c1ccsc1 ZINC000079002355 454352647 /nfs/dbraw/zinc/35/26/47/454352647.db2.gz GXAFWOMABBLUIE-CYBMUJFWSA-N 1 0 331.441 3.263 40 0 EGABRO O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000096452265 454356243 /nfs/dbraw/zinc/35/62/43/454356243.db2.gz IQRAFRSULFERFJ-HNNXBMFYSA-N 1 0 347.434 3.459 40 0 EGABRO CCc1ncc(C[NH2+]C2CCN(C(=O)C3CCCCC3)CC2)s1 ZINC000096460007 454358816 /nfs/dbraw/zinc/35/88/16/454358816.db2.gz UBPSKTFLCGABEZ-UHFFFAOYSA-N 1 0 335.517 3.366 40 0 EGABRO CCC(CC)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000079096449 454367815 /nfs/dbraw/zinc/36/78/15/454367815.db2.gz MTMPIAZJOYPPDE-MRXNPFEDSA-N 1 0 332.488 3.439 40 0 EGABRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc(OC3CCCCC3)cc2)C1 ZINC000096491617 454369043 /nfs/dbraw/zinc/36/90/43/454369043.db2.gz LGPIQGCWVOACCQ-MRXNPFEDSA-N 1 0 337.485 3.065 40 0 EGABRO C[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000096492216 454369850 /nfs/dbraw/zinc/36/98/50/454369850.db2.gz POCLFSSXHASQBC-AOIWGVFYSA-N 1 0 330.472 3.002 40 0 EGABRO CCc1c(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cnn1CC(C)C ZINC000096499598 454371096 /nfs/dbraw/zinc/37/10/96/454371096.db2.gz PXAHANOUXZAAQS-CRAIPNDOSA-N 1 0 347.507 3.050 40 0 EGABRO Clc1cc(Cl)cc(CN2CCC([NH2+]Cc3ncc[nH]3)CC2)c1 ZINC000096502327 454373011 /nfs/dbraw/zinc/37/30/11/454373011.db2.gz WPSZEAOKPZKXJV-UHFFFAOYSA-N 1 0 339.270 3.471 40 0 EGABRO O[C@H](C[C@@H]1CCCCC[N@@H+]1CCC1OCCO1)c1cccs1 ZINC000097094913 454405005 /nfs/dbraw/zinc/40/50/05/454405005.db2.gz RSJQWERZEXESLK-LSDHHAIUSA-N 1 0 325.474 3.179 40 0 EGABRO Brc1cnc2c(c1)nccc2N1CCC([NH2+]C2CC2)CC1 ZINC000097096696 454405219 /nfs/dbraw/zinc/40/52/19/454405219.db2.gz RKFNXILUYNTDSU-UHFFFAOYSA-N 1 0 347.260 3.113 40 0 EGABRO O[C@H](C[C@H]1CCCCC[N@@H+]1CCC1OCCO1)c1cccs1 ZINC000097094915 454405435 /nfs/dbraw/zinc/40/54/35/454405435.db2.gz RSJQWERZEXESLK-HUUCEWRRSA-N 1 0 325.474 3.179 40 0 EGABRO CC(C)Oc1ccc([C@@H](C)NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000097101583 454407375 /nfs/dbraw/zinc/40/73/75/454407375.db2.gz IWABPKHJVMIWBF-HZPDHXFCSA-N 1 0 333.476 3.128 40 0 EGABRO c1csc(N2CCC([NH2+]C3CCN(c4nccs4)CC3)CC2)c1 ZINC000097237673 454428314 /nfs/dbraw/zinc/42/83/14/454428314.db2.gz LKPNZPUBCPVBQV-UHFFFAOYSA-N 1 0 348.541 3.432 40 0 EGABRO C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000080086817 454531213 /nfs/dbraw/zinc/53/12/13/454531213.db2.gz OWQNMEZCTUYOIS-LSDHHAIUSA-N 1 0 346.446 3.168 40 0 EGABRO C/C1=C\[C@@H](O)[C@H]2[C@H](C[NH+]3CCCCC3)C(=O)O[C@H]2C/C(C)=C\CC1 ZINC000105364740 454637155 /nfs/dbraw/zinc/63/71/55/454637155.db2.gz PBRLWNMMGXHHMD-XDSPBKKCSA-N 1 0 333.472 3.068 40 0 EGABRO Cc1nc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c(C)s1 ZINC000179104753 455009150 /nfs/dbraw/zinc/00/91/50/455009150.db2.gz OOKNATYCZQDJNT-GFCCVEGCSA-N 1 0 344.484 3.110 40 0 EGABRO CSc1cccc(N(C(=O)C[C@@H]2CCCO2)C2CC[NH+](C)CC2)c1 ZINC000171999565 455107851 /nfs/dbraw/zinc/10/78/51/455107851.db2.gz DQWOURWEJGRTKP-KRWDZBQOSA-N 1 0 348.512 3.405 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)s1 ZINC000248113293 455681481 /nfs/dbraw/zinc/68/14/81/455681481.db2.gz RMXYOZYULYJJFG-OALUTQOASA-N 1 0 343.496 3.321 40 0 EGABRO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12Cc1ccccc1C2=O ZINC000248322753 455704105 /nfs/dbraw/zinc/70/41/05/455704105.db2.gz WWALFQLIWFZCOO-DENIHFKCSA-N 1 0 349.430 3.107 40 0 EGABRO Cc1cc(C(=O)NCCc2ncc[nH]2)cc(Cl)c1Br ZINC000252499653 455815306 /nfs/dbraw/zinc/81/53/06/455815306.db2.gz SDMPTIKTLZFJDD-UHFFFAOYSA-N 1 0 342.624 3.107 40 0 EGABRO C[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000253418511 455843190 /nfs/dbraw/zinc/84/31/90/455843190.db2.gz SISXWYHCAQGLEF-FRYIKTPZSA-N 1 0 344.499 3.097 40 0 EGABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257228444 455879809 /nfs/dbraw/zinc/87/98/09/455879809.db2.gz FTWPIPXVXMWAMZ-CYBMUJFWSA-N 1 0 325.441 3.226 40 0 EGABRO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)[nH+]1 ZINC000257289785 455884317 /nfs/dbraw/zinc/88/43/17/455884317.db2.gz QADXNNSOKBIFOF-CQSZACIVSA-N 1 0 342.443 3.197 40 0 EGABRO CNc1cnc(C[C@H]2CCC[N@H+](Cc3scnc3C)CC2)cn1 ZINC000257297340 455885262 /nfs/dbraw/zinc/88/52/62/455885262.db2.gz RGVNCSYQXQTIGS-AWEZNQCLSA-N 1 0 331.489 3.128 40 0 EGABRO c1ccc(CC[N@@H+]2CC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000257307658 455888143 /nfs/dbraw/zinc/88/81/43/455888143.db2.gz SZSIPAMLZQIJMG-KRWDZBQOSA-N 1 0 346.438 3.042 40 0 EGABRO Cc1cc(C)n2ncc(C[NH+]3CCC(Cc4ccncc4)CC3)c2n1 ZINC000257310985 455888861 /nfs/dbraw/zinc/88/88/61/455888861.db2.gz UHKUUHOZCSNYBK-UHFFFAOYSA-N 1 0 335.455 3.196 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)n1 ZINC000257314314 455888896 /nfs/dbraw/zinc/88/88/96/455888896.db2.gz UWJRVUBUMXPENO-MRXNPFEDSA-N 1 0 348.454 3.025 40 0 EGABRO COc1ncc(C[N@@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257320949 455890377 /nfs/dbraw/zinc/89/03/77/455890377.db2.gz VZLJEBMJLJMQRX-HNNXBMFYSA-N 1 0 334.423 3.098 40 0 EGABRO CNc1cnc(C[C@@H]2CCC[N@H+](Cc3ccnn3C(C)C)CC2)cn1 ZINC000257329582 455892554 /nfs/dbraw/zinc/89/25/54/455892554.db2.gz XKOSGBALKXNPSP-MRXNPFEDSA-N 1 0 342.491 3.141 40 0 EGABRO CC(=O)Nc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000195552260 455983228 /nfs/dbraw/zinc/98/32/28/455983228.db2.gz SJBMPBACTOFJLE-MGPUTAFESA-N 1 0 338.455 3.363 40 0 EGABRO FC(F)(F)CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000195556438 455985036 /nfs/dbraw/zinc/98/50/36/455985036.db2.gz PHYIJFVUNLUUES-CVEARBPZSA-N 1 0 344.425 3.373 40 0 EGABRO COc1ccccc1[C@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)C(C)(C)C ZINC000195570480 455987336 /nfs/dbraw/zinc/98/73/36/455987336.db2.gz JGQPGRCBSNYEHB-QAPCUYQASA-N 1 0 347.503 3.376 40 0 EGABRO CC1CC[NH+](CCCNC(=S)Nc2ccc(F)c(F)c2)CC1 ZINC000225436495 456082617 /nfs/dbraw/zinc/08/26/17/456082617.db2.gz AQWCHWBCLMVQAB-UHFFFAOYSA-N 1 0 327.444 3.373 40 0 EGABRO CCCC[C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCN(C)CC2)cc1 ZINC000225692446 456104059 /nfs/dbraw/zinc/10/40/59/456104059.db2.gz ASAIRWNPADFDRV-QGZVFWFLSA-N 1 0 331.504 3.241 40 0 EGABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCCC1 ZINC000225706942 456104264 /nfs/dbraw/zinc/10/42/64/456104264.db2.gz FJAPSJFTGNNYNN-UHFFFAOYSA-N 1 0 334.460 3.305 40 0 EGABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(Cc3ccc4ccccc4n3)C2)C1 ZINC000585103087 459824187 /nfs/dbraw/zinc/82/41/87/459824187.db2.gz PTBCBYGJZZPANP-QGZVFWFLSA-N 1 0 339.483 3.168 40 0 EGABRO Cc1cc(C[NH+]2CCC3(CC(NC(=O)OC4CCCC4)C3)CC2)[nH]n1 ZINC000585102927 459824258 /nfs/dbraw/zinc/82/42/58/459824258.db2.gz IZBHBPYRUQLYHX-UHFFFAOYSA-N 1 0 346.475 3.132 40 0 EGABRO Cc1cccc(C(=O)N2CCC3(CO[C@H](C[NH+]4CCCC4)C3)CC2)c1 ZINC000585104338 459824359 /nfs/dbraw/zinc/82/43/59/459824359.db2.gz HFXAYTMJFZZQMR-IBGZPJMESA-N 1 0 342.483 3.102 40 0 EGABRO Cc1ccc(C(=O)N2CCC[C@]3(CC[N@@H+]3C[C@H]3CCCO3)C2)c(C)c1 ZINC000585102046 459824495 /nfs/dbraw/zinc/82/44/95/459824495.db2.gz OPLGIKQLYLIBCZ-NQIIRXRSSA-N 1 0 342.483 3.163 40 0 EGABRO Cc1c(C[NH+]2CCC(=C(F)F)CC2)c(=O)n(-c2ccccc2)n1C ZINC000585140740 459829566 /nfs/dbraw/zinc/82/95/66/459829566.db2.gz JCMHVDMKWJASQK-UHFFFAOYSA-N 1 0 333.382 3.231 40 0 EGABRO Cc1cccc(OC[C@]2(O)COCC[N@@H+](C3CCCCCC3)C2)c1 ZINC000585276018 459831896 /nfs/dbraw/zinc/83/18/96/459831896.db2.gz LBJXFTZCJLAOLJ-HXUWFJFHSA-N 1 0 333.472 3.160 40 0 EGABRO CCc1ncc(C[N@@H+]2CC[C@H](O)[C@H](Cc3ccc(Cl)cc3)C2)cn1 ZINC000585279209 459831948 /nfs/dbraw/zinc/83/19/48/459831948.db2.gz XEPBHINMLSIKAO-AEFFLSMTSA-N 1 0 345.874 3.118 40 0 EGABRO Cc1ccccc1OC[C@]1(O)COCC[N@@H+](C2CCCCCC2)C1 ZINC000585276411 459832346 /nfs/dbraw/zinc/83/23/46/459832346.db2.gz OJDSMCWWMTZFAX-HXUWFJFHSA-N 1 0 333.472 3.160 40 0 EGABRO O=C(NCC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2ccccc2s1 ZINC000575605884 459980089 /nfs/dbraw/zinc/98/00/89/459980089.db2.gz HTNCWEMUOSVYOE-MRXNPFEDSA-N 1 0 344.480 3.132 40 0 EGABRO CC(=O)NC1CCC([NH2+]Cc2cccc(C)c2Br)CC1 ZINC000191540854 526701243 /nfs/dbraw/zinc/70/12/43/526701243.db2.gz DCVGNCLUNZQYLS-UHFFFAOYSA-N 1 0 339.277 3.294 40 0 EGABRO O=C(NCCOc1ccc(F)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000224095125 547246246 /nfs/dbraw/zinc/24/62/46/547246246.db2.gz WYANGJSWXSTTPB-UHFFFAOYSA-N 1 0 342.414 3.230 40 0 EGABRO COCCn1ccnc1[C@@H]1C[N@H+](Cc2cccnc2)Cc2ccccc21 ZINC000306128489 547459801 /nfs/dbraw/zinc/45/98/01/547459801.db2.gz HBNDUEMRHWWPOW-HXUWFJFHSA-N 1 0 348.450 3.072 40 0 EGABRO CN(c1ccc(Cl)cc1)c1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228936258 564118136 /nfs/dbraw/zinc/11/81/36/564118136.db2.gz HIDUWOCKFYFGEX-UHFFFAOYSA-N 1 0 342.834 3.172 40 0 EGABRO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cc(F)c(Cl)cc1Cl ZINC000181646116 234268042 /nfs/dbraw/zinc/26/80/42/234268042.db2.gz KAXUHSNNXJYEDW-VHSXEESVSA-N 1 0 332.206 3.041 40 0 EGABRO Cc1cccc(-c2cc(C[NH2+]CCc3ccccc3)c3nnnn3c2)c1 ZINC000019235294 202000935 /nfs/dbraw/zinc/00/09/35/202000935.db2.gz RXPNRGLLYJMVAI-UHFFFAOYSA-N 1 0 343.434 3.432 40 0 EGABRO CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019499274 202008755 /nfs/dbraw/zinc/00/87/55/202008755.db2.gz ZNYTWEUOPIDIIV-NVXWUHKLSA-N 1 0 344.484 3.018 40 0 EGABRO COc1cccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1OC ZINC000019842173 202023338 /nfs/dbraw/zinc/02/33/38/202023338.db2.gz VJLNIMQTDUUJFE-AOIWGVFYSA-N 1 0 342.483 3.034 40 0 EGABRO O=C(Cc1ccccc1Cl)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928517 202338219 /nfs/dbraw/zinc/33/82/19/202338219.db2.gz PKKCSPZUIXQFOT-UHFFFAOYSA-N 1 0 343.858 3.310 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1Cc1c(C)noc1C ZINC000036740613 202330847 /nfs/dbraw/zinc/33/08/47/202330847.db2.gz IBMUQVSENUPZIY-YJYMSZOUSA-N 1 0 344.455 3.094 40 0 EGABRO Cc1noc(C)c1CC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000036753153 202331135 /nfs/dbraw/zinc/33/11/35/202331135.db2.gz YWEKZUCUVYGXTF-LJQANCHMSA-N 1 0 341.455 3.177 40 0 EGABRO CCn1nc(C)c2nc(C(C)C)nc(NCCC[NH+](CC)CC)c21 ZINC000072238351 202356143 /nfs/dbraw/zinc/35/61/43/202356143.db2.gz NESLVDAEIRXGLL-UHFFFAOYSA-N 1 0 332.496 3.422 40 0 EGABRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)/C=C/c1ccncc1 ZINC000077140381 202384574 /nfs/dbraw/zinc/38/45/74/202384574.db2.gz RHFOZEKTCMDBOH-BLGFXRMMSA-N 1 0 335.451 3.218 40 0 EGABRO Cc1nc2sccn2c1C[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000077401519 202393667 /nfs/dbraw/zinc/39/36/67/202393667.db2.gz OGZACFHQCQZKEL-UHFFFAOYSA-N 1 0 341.484 3.379 40 0 EGABRO Cc1nc(-c2ccccn2)sc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000022623295 212312044 /nfs/dbraw/zinc/31/20/44/212312044.db2.gz PRDWAGRQEUCCSV-UHFFFAOYSA-N 1 0 346.500 3.362 40 0 EGABRO O=C(COc1cccc(F)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000022463333 212299091 /nfs/dbraw/zinc/29/90/91/212299091.db2.gz SVQDWQWHPBUPBX-IBGZPJMESA-N 1 0 342.414 3.158 40 0 EGABRO CC(C)[C@@H]([NH3+])c1nnc2ccc(-c3ccc(Br)cc3)nn21 ZINC000217565971 241258483 /nfs/dbraw/zinc/25/84/83/241258483.db2.gz MNQWOTDROBRFOA-CQSZACIVSA-N 1 0 346.232 3.210 40 0 EGABRO Cc1ccc([C@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218620763 241334460 /nfs/dbraw/zinc/33/44/60/241334460.db2.gz FVXXPXBGEWPOEA-ULQDDVLXSA-N 1 0 335.856 3.163 40 0 EGABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225607083 241948321 /nfs/dbraw/zinc/94/83/21/241948321.db2.gz SHNYPJHNRSCRAD-LJQANCHMSA-N 1 0 336.476 3.407 40 0 EGABRO COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000230192454 242247960 /nfs/dbraw/zinc/24/79/60/242247960.db2.gz QNVQELPUXOIYMT-XYJFISCASA-N 1 0 345.487 3.190 40 0 EGABRO Cc1cc2ncc([C@@H](C)[NH2+]CCc3cn4cccc(C)c4n3)c(C)n2n1 ZINC000091732161 203075698 /nfs/dbraw/zinc/07/56/98/203075698.db2.gz BZGYYMSZAIMLFW-OAHLLOKOSA-N 1 0 348.454 3.196 40 0 EGABRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000092101253 203078536 /nfs/dbraw/zinc/07/85/36/203078536.db2.gz UKUGDTPUYUGQFY-GFCCVEGCSA-N 1 0 332.341 3.145 40 0 EGABRO Cc1nn(C)c2nc([C@@]3(C)CCC[N@H+](Cc4cccnc4)C3)ccc12 ZINC000257204927 244130942 /nfs/dbraw/zinc/13/09/42/244130942.db2.gz AWWZLHBDLPFOLV-FQEVSTJZSA-N 1 0 335.455 3.225 40 0 EGABRO Cc1nc(C2CC[NH2+]CC2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000257199772 244114838 /nfs/dbraw/zinc/11/48/38/244114838.db2.gz AATRHZACDUHDKZ-UHFFFAOYSA-N 1 0 342.487 3.112 40 0 EGABRO CN1CC[N@@H+](C2CCCCC2)C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257203460 244125927 /nfs/dbraw/zinc/12/59/27/244125927.db2.gz AQDIUEVXWJDGBS-QGZVFWFLSA-N 1 0 338.499 3.369 40 0 EGABRO Cc1cc2ccccc2n1CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000257207554 244141044 /nfs/dbraw/zinc/14/10/44/244141044.db2.gz BIHIOEMCASOOLV-RTBURBONSA-N 1 0 325.456 3.035 40 0 EGABRO Cc1nn(C)c2nc([C@@]3(C)CCC[N@H+](Cc4ccccn4)C3)ccc12 ZINC000257211907 244154666 /nfs/dbraw/zinc/15/46/66/244154666.db2.gz CAZYASNACIGGGL-FQEVSTJZSA-N 1 0 335.455 3.225 40 0 EGABRO Cc1nc(Nc2ncccn2)cc([C@H]2CC[N@H+](CC(C)(C)C)C2)n1 ZINC000072383654 203209935 /nfs/dbraw/zinc/20/99/35/203209935.db2.gz ZUFRRCDDEWCBIY-AWEZNQCLSA-N 1 0 326.448 3.154 40 0 EGABRO Cc1nc([C@@H]2CCC[NH2+]2)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000257247008 244261782 /nfs/dbraw/zinc/26/17/82/244261782.db2.gz IWYFHYNAALKZEI-KRWDZBQOSA-N 1 0 326.419 3.301 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)cc1 ZINC000257250657 244268654 /nfs/dbraw/zinc/26/86/54/244268654.db2.gz JNLJHLPONJITHU-HXUWFJFHSA-N 1 0 339.439 3.063 40 0 EGABRO C[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000072392329 203213234 /nfs/dbraw/zinc/21/32/34/203213234.db2.gz BHLAEYKCMVHKLF-CYBMUJFWSA-N 1 0 325.391 3.305 40 0 EGABRO OC1(Cn2ccc3ccncc32)CC[NH+](Cc2cccs2)CC1 ZINC000072397031 203213572 /nfs/dbraw/zinc/21/35/72/203213572.db2.gz IDCWXGUEEMLEIF-UHFFFAOYSA-N 1 0 327.453 3.125 40 0 EGABRO CCCC[C@@H](c1nnnn1C1CCCCC1)N1CC[NH+](CC)CC1 ZINC000019502116 212035014 /nfs/dbraw/zinc/03/50/14/212035014.db2.gz NECWIFZBSCCTKT-KRWDZBQOSA-N 1 0 334.512 3.047 40 0 EGABRO CC(=O)NC1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000132602542 203684615 /nfs/dbraw/zinc/68/46/15/203684615.db2.gz YRPMCKQEUOYPPE-UHFFFAOYSA-N 1 0 343.240 3.125 40 0 EGABRO c1ccc(CO[C@H]2COC3(C2)CC[NH+](Cc2cccnc2)CC3)cc1 ZINC000096047862 203805804 /nfs/dbraw/zinc/80/58/04/203805804.db2.gz JVSRZRGLIQTNRO-HXUWFJFHSA-N 1 0 338.451 3.422 40 0 EGABRO Cn1ccc(C(=O)N[C@@H]2CCC23CC[NH+](Cc2cccs2)CC3)c1 ZINC000096051686 203811023 /nfs/dbraw/zinc/81/10/23/203811023.db2.gz INNMIXMGAACUDH-QGZVFWFLSA-N 1 0 343.496 3.261 40 0 EGABRO COc1ccc(C(=O)NCCCCCCC[NH+]2CCCC2)c(OC)c1 ZINC000048289644 204345465 /nfs/dbraw/zinc/34/54/65/204345465.db2.gz PCTLVHUHOHEZFD-UHFFFAOYSA-N 1 0 348.487 3.480 40 0 EGABRO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](CC(C)C)C3)nc2c1 ZINC000049169125 204370123 /nfs/dbraw/zinc/37/01/23/204370123.db2.gz VPYMZWFNVAOBOR-ZDUSSCGKSA-N 1 0 336.457 3.067 40 0 biogenic,in-vitro EGABRO CSc1ccc(C[NH+]2CC(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000049483574 204392564 /nfs/dbraw/zinc/39/25/64/204392564.db2.gz OJZWAGAFFDLXCK-UHFFFAOYSA-N 1 0 338.436 3.453 40 0 EGABRO C[NH+]1CCC(CCNC(=O)COc2cccc3ccccc32)CC1 ZINC000171211815 206673824 /nfs/dbraw/zinc/67/38/24/206673824.db2.gz MHRPJBFWFWJUIV-UHFFFAOYSA-N 1 0 326.440 3.067 40 0 EGABRO FC(F)(F)CN1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)C1 ZINC000095420996 218362048 /nfs/dbraw/zinc/36/20/48/218362048.db2.gz KFUKSQNHQYUDPH-SJORKVTESA-N 1 0 335.373 3.397 40 0 EGABRO C[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@@H](C)c1ccccc1 ZINC000176463188 207229500 /nfs/dbraw/zinc/22/95/00/207229500.db2.gz VIMUUAWFLLFZKG-FGTMMUONSA-N 1 0 329.488 3.306 40 0 EGABRO Cc1[nH]c2ccc(C(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2c1C ZINC000012981645 207268988 /nfs/dbraw/zinc/26/89/88/207268988.db2.gz LXFIUVVMAROKNN-KBPBESRZSA-N 1 0 343.471 3.014 40 0 EGABRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(OCC4CC4)cc3)[C@@H]2C1 ZINC000191451221 533441712 /nfs/dbraw/zinc/44/17/12/533441712.db2.gz DJYZYXDULUFRIZ-VAMGGRTRSA-N 1 0 331.456 3.244 40 0 EGABRO COc1cc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)ccc1C ZINC000039995594 132397985 /nfs/dbraw/zinc/39/79/85/132397985.db2.gz YJEWXDOVAIBNGU-UHFFFAOYSA-N 1 0 339.439 3.008 40 0 EGABRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CN1c1ccccc1 ZINC000085330554 274393017 /nfs/dbraw/zinc/39/30/17/274393017.db2.gz XBRDIAKRCDIBDP-QDOIMOTRSA-N 1 0 328.481 3.181 40 0 EGABRO CCC[NH+](CCC)C[C@H](O)c1ccc(I)cc1 ZINC000001671887 276252826 /nfs/dbraw/zinc/25/28/26/276252826.db2.gz TXJZBNYAGGVLEM-AWEZNQCLSA-N 1 0 347.240 3.447 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@@H](c1ccccc1)[C@H](O)C1=CCCC1 ZINC000001593585 279107945 /nfs/dbraw/zinc/10/79/45/279107945.db2.gz QEDNEDZUHNKWMR-RBUKOAKNSA-N 1 0 331.456 3.126 40 0 EGABRO CC[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccco1)c1ccccc1O2 ZINC000096242702 279263095 /nfs/dbraw/zinc/26/30/95/279263095.db2.gz QDURDDWWWVWUDT-MRXNPFEDSA-N 1 0 340.423 3.388 40 0 EGABRO Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CC[NH+](CC2CC2)CC1 ZINC000096241790 281084297 /nfs/dbraw/zinc/08/42/97/281084297.db2.gz VUOQPVHBWBJNEE-IBGZPJMESA-N 1 0 341.499 3.455 40 0 EGABRO CCN1CC[C@@H]([NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000414544609 309087729 /nfs/dbraw/zinc/08/77/29/309087729.db2.gz PECXYSHZTWPPPJ-MRXNPFEDSA-N 1 0 332.879 3.326 40 0 EGABRO Cc1c(-c2cc(C[N@@H+]3CCC[C@@H](c4ccncc4)C3)on2)cnn1C ZINC000295704698 308352306 /nfs/dbraw/zinc/35/23/06/308352306.db2.gz FPWCEZOCQZEHJU-MRXNPFEDSA-N 1 0 337.427 3.158 40 0 EGABRO CC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1cnn(C)c1 ZINC000089510163 323214568 /nfs/dbraw/zinc/21/45/68/323214568.db2.gz ORMLRMSMVVISGN-OAHLLOKOSA-N 1 0 335.835 3.476 40 0 EGABRO C[C@@H]1CC([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000131398353 323219981 /nfs/dbraw/zinc/21/99/81/323219981.db2.gz NETXXHHUUXVYHZ-TUVASFSCSA-N 1 0 326.481 3.368 40 0 EGABRO C[C@H](NC(=O)N1CCSCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189866674 455248245 /nfs/dbraw/zinc/24/82/45/455248245.db2.gz VBHPEOIHMOPGNC-OWCLPIDISA-N 1 0 339.549 3.176 40 0 EGABRO COc1ccc([C@H]([NH3+])CCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001667134 452672355 /nfs/dbraw/zinc/67/23/55/452672355.db2.gz OHZHRAAIHQESPM-MRXNPFEDSA-N 1 0 331.412 3.354 40 0 EGABRO CC(C)c1ccccc1OC[C@@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000002694325 452714954 /nfs/dbraw/zinc/71/49/54/452714954.db2.gz STGDNMJDWDAYQL-IBGZPJMESA-N 1 0 343.467 3.044 40 0 EGABRO CC(C)C(=[NH2+])N[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000003109665 452744308 /nfs/dbraw/zinc/74/43/08/452744308.db2.gz ATCPTPWMGFXGER-LBPRGKRZSA-N 1 0 336.650 3.336 40 0 EGABRO CCCCCCOc1cc(N)ccc1C(=O)NCC[NH+](CC)CC ZINC000004366936 452802004 /nfs/dbraw/zinc/80/20/04/452802004.db2.gz ONEOHKSQCMPMOF-UHFFFAOYSA-N 1 0 335.492 3.300 40 0 EGABRO CCC[NH+](CCC)C[C@@H](O)c1cccc(I)c1 ZINC000006380187 452939304 /nfs/dbraw/zinc/93/93/04/452939304.db2.gz XXSUSNGTNAWJEA-CQSZACIVSA-N 1 0 347.240 3.447 40 0 EGABRO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCCc1ccccc1 ZINC000006883138 453004803 /nfs/dbraw/zinc/00/48/03/453004803.db2.gz QTJGTHBNFNNVFV-UHFFFAOYSA-N 1 0 329.440 3.177 40 0 EGABRO CSc1ccc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000007495457 453081782 /nfs/dbraw/zinc/08/17/82/453081782.db2.gz ZPRWPAXBDUPAAV-UHFFFAOYSA-N 1 0 340.448 3.137 40 0 EGABRO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccsc3)cc2)CC1 ZINC000008726330 453228412 /nfs/dbraw/zinc/22/84/12/453228412.db2.gz AGZXQGYQRJTCGG-UHFFFAOYSA-N 1 0 329.469 3.071 40 0 EGABRO O=C(CSCc1ccc(Cl)cc1)NCCC[NH+]1CCCC1 ZINC000010450012 453291925 /nfs/dbraw/zinc/29/19/25/453291925.db2.gz OTEIPVGYWOWLQB-UHFFFAOYSA-N 1 0 326.893 3.175 40 0 EGABRO O=C(Nc1ccc(SCC[NH+]2CCCC2)nn1)c1cccc(F)c1 ZINC000011738021 453333406 /nfs/dbraw/zinc/33/34/06/453333406.db2.gz DDBHATPDKFLXIG-UHFFFAOYSA-N 1 0 346.431 3.056 40 0 EGABRO O=C1N[C@]2(CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)Nc2ccccc21 ZINC000012086056 453345022 /nfs/dbraw/zinc/34/50/22/453345022.db2.gz PURXELHQIVUYIF-MMOPVJDHSA-N 1 0 333.435 3.080 40 0 EGABRO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)C[C@H]2CC=CCC2)n1 ZINC000012186001 453347200 /nfs/dbraw/zinc/34/72/00/453347200.db2.gz CPLVJSANCGWLTC-OALUTQOASA-N 1 0 343.471 3.312 40 0 EGABRO CCC[NH+]1CCC(CNC(=O)Cn2ccc3ccc(F)cc32)CC1 ZINC000012148624 453348176 /nfs/dbraw/zinc/34/81/76/453348176.db2.gz GUELIXDJTCXXDY-UHFFFAOYSA-N 1 0 331.435 3.019 40 0 EGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2(c3ccccc3F)CC2)C1 ZINC000012204962 453349071 /nfs/dbraw/zinc/34/90/71/453349071.db2.gz QPJZLXZAPXADBO-HZPDHXFCSA-N 1 0 332.463 3.342 40 0 EGABRO Cc1cnc2[nH]c(C(F)(F)F)c(C[N@@H+]3CCC[C@@H](CO)C3)c2c1 ZINC000012223073 453350132 /nfs/dbraw/zinc/35/01/32/453350132.db2.gz NUAPISDAFLGIFR-LLVKDONJSA-N 1 0 327.350 3.094 40 0 EGABRO Fc1cccc(C[NH+]2CCC(c3[nH]nc4nccnc43)CC2)c1F ZINC000012228327 453352824 /nfs/dbraw/zinc/35/28/24/453352824.db2.gz HOOWKPJCUIWPAA-UHFFFAOYSA-N 1 0 329.354 3.011 40 0 EGABRO CCC(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CCC[C@@H](C)C3)ccc21 ZINC000012291553 453353225 /nfs/dbraw/zinc/35/32/25/453353225.db2.gz RJWUXZLTVUFXQN-BEFAXECRSA-N 1 0 330.472 3.141 40 0 EGABRO COc1ccc(C2(O)CC[NH+](C[C@H](O)c3ccc(C)cc3)CC2)cc1 ZINC000012292192 453353278 /nfs/dbraw/zinc/35/32/78/453353278.db2.gz JUVYGYQLFSRMOI-FQEVSTJZSA-N 1 0 341.451 3.021 40 0 EGABRO O[C@]1(c2cccnc2)CCC[C@@H]2C[N@H+](Cc3c(F)cccc3F)C[C@@H]21 ZINC000012337139 453357077 /nfs/dbraw/zinc/35/70/77/453357077.db2.gz SWBIKSIPDQMZTB-LIVBEALHSA-N 1 0 344.405 3.480 40 0 EGABRO CCCn1nc2nc(N3CCC([NH3+])CC3)cc(C(F)(F)F)c2c1C ZINC000012398916 453358370 /nfs/dbraw/zinc/35/83/70/453358370.db2.gz NOSLPOUYSDUTAB-UHFFFAOYSA-N 1 0 341.381 3.096 40 0 EGABRO Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)cc1 ZINC000013569030 453472675 /nfs/dbraw/zinc/47/26/75/453472675.db2.gz MEXDATPIOIVAKZ-UHFFFAOYSA-N 1 0 339.483 3.115 40 0 EGABRO C[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1COc2ccccc2O1 ZINC000016378829 453604822 /nfs/dbraw/zinc/60/48/22/453604822.db2.gz JMCSRWYWSOGAHZ-GOSISDBHSA-N 1 0 335.407 3.144 40 0 EGABRO COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@@](O)(c3ccccn3)[C@@H]2C1 ZINC000019133213 453654454 /nfs/dbraw/zinc/65/44/54/453654454.db2.gz KEIJZPQCLZFUQA-CDXJDZJCSA-N 1 0 338.451 3.128 40 0 EGABRO CNc1ncccc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1Cc1ccccc1 ZINC000019592063 453657156 /nfs/dbraw/zinc/65/71/56/453657156.db2.gz PNUPCGUREBMULP-VQTJNVASSA-N 1 0 336.483 3.015 40 0 EGABRO COc1ccc(CCC(=O)N2CC[C@H]3[C@H]2CCCCC[N@@H+]3C)cc1 ZINC000019712089 453658929 /nfs/dbraw/zinc/65/89/29/453658929.db2.gz PUPSSSITLPAJRR-RBUKOAKNSA-N 1 0 330.472 3.103 40 0 EGABRO O=C(c1ccccn1)N1[C@H](Cc2ccccc2)C[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019712868 453659016 /nfs/dbraw/zinc/65/90/16/453659016.db2.gz KKYDADIESRQGRS-HLAWJBBLSA-N 1 0 349.478 3.440 40 0 EGABRO C[NH+](C)[C@@H](CNC(=O)c1ccc2ccccc2n1)c1cccc(F)c1 ZINC000032732656 453886642 /nfs/dbraw/zinc/88/66/42/453886642.db2.gz MKCZBEQEDHHHOV-IBGZPJMESA-N 1 0 337.398 3.407 40 0 EGABRO CO[C@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000067267507 453916039 /nfs/dbraw/zinc/91/60/39/453916039.db2.gz UIXSNYXSNQXSTR-MOPGFXCFSA-N 1 0 326.440 3.102 40 0 EGABRO O[C@H](COCc1ccccc1Cl)C[N@@H+]1CCc2ccccc2C1 ZINC000068048088 453991791 /nfs/dbraw/zinc/99/17/91/453991791.db2.gz UCRQLAFRTBZXLN-SFHVURJKSA-N 1 0 331.843 3.276 40 0 EGABRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CN1c1ccccc1 ZINC000085330550 454022844 /nfs/dbraw/zinc/02/28/44/454022844.db2.gz XBRDIAKRCDIBDP-LPXYKDPNSA-N 1 0 328.481 3.181 40 0 EGABRO Cc1ncsc1CNc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000086258314 454046129 /nfs/dbraw/zinc/04/61/29/454046129.db2.gz MIPNKSXJFMYTJO-UHFFFAOYSA-N 1 0 331.485 3.268 40 0 EGABRO Cc1ccccc1NC(=S)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044222069 454092445 /nfs/dbraw/zinc/09/24/45/454092445.db2.gz JZHUBONUMNLLMF-UHFFFAOYSA-N 1 0 340.496 3.341 40 0 EGABRO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000077611927 454130641 /nfs/dbraw/zinc/13/06/41/454130641.db2.gz SAZINDBTUUMOLD-IRXDYDNUSA-N 1 0 335.879 3.179 40 0 EGABRO CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cc(F)ccc1F ZINC000077873301 454165046 /nfs/dbraw/zinc/16/50/46/454165046.db2.gz XESIRCUUUJEKJY-RHSMWYFYSA-N 1 0 337.414 3.296 40 0 EGABRO CCn1c2ccccc2nc1[C@H](C)[NH2+]CCC(=O)N1CCC[C@@H]1C ZINC000119403581 454193446 /nfs/dbraw/zinc/19/34/46/454193446.db2.gz VFKZVTPFEINILY-GJZGRUSLSA-N 1 0 328.460 3.108 40 0 EGABRO O=C(C[NH2+]C1CC1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000095466790 454219022 /nfs/dbraw/zinc/21/90/22/454219022.db2.gz SWVWUGPOYGMBQW-QGZVFWFLSA-N 1 0 342.418 3.021 40 0 EGABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)co1 ZINC000096040088 454266623 /nfs/dbraw/zinc/26/66/23/454266623.db2.gz CNHUYGNMIJEEPX-UXHICEINSA-N 1 0 342.439 3.263 40 0 EGABRO O=C1N(Cc2ccccn2)CCC12CC[NH+](Cc1cccs1)CC2 ZINC000096046895 454269861 /nfs/dbraw/zinc/26/98/61/454269861.db2.gz BDPDSBDYKLLWEZ-UHFFFAOYSA-N 1 0 341.480 3.158 40 0 EGABRO COc1ccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4ccoc4)C3)C2)cc1 ZINC000096047607 454270340 /nfs/dbraw/zinc/27/03/40/454270340.db2.gz ALNHPADQVLGLED-PKOBYXMFSA-N 1 0 328.412 3.134 40 0 EGABRO O=C1COC2(CC[NH+](Cc3ccsc3)CC2)CN1c1ccsc1 ZINC000096049247 454271902 /nfs/dbraw/zinc/27/19/02/454271902.db2.gz OOOHRYFGXBZJBB-UHFFFAOYSA-N 1 0 348.493 3.208 40 0 EGABRO Fc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096055152 454274382 /nfs/dbraw/zinc/27/43/82/454274382.db2.gz SKEOIBJYTBPYOI-AZUAARDMSA-N 1 0 344.405 3.302 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)o1 ZINC000096057067 454275436 /nfs/dbraw/zinc/27/54/36/454275436.db2.gz STWOGAGBXPFSIH-UYAOXDASSA-N 1 0 342.439 3.433 40 0 EGABRO c1csc(C[N@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)c1 ZINC000096058341 454276295 /nfs/dbraw/zinc/27/62/95/454276295.db2.gz BOARSGJXQFIBAS-UFYCRDLUSA-N 1 0 340.492 3.351 40 0 EGABRO C[C@H]1C[N@H+](Cc2ccsc2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000096061281 454276403 /nfs/dbraw/zinc/27/64/03/454276403.db2.gz UZJFZDCVTDGBPT-UCLAIMLFSA-N 1 0 348.512 3.034 40 0 EGABRO O=C(CCc1cccnc1)N1CC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000096071003 454278640 /nfs/dbraw/zinc/27/86/40/454278640.db2.gz NDLIMAOBGUZJJT-UHFFFAOYSA-N 1 0 349.478 3.139 40 0 EGABRO Cc1nc(COC[C@H]2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccoc3)O2)cs1 ZINC000096064806 454278696 /nfs/dbraw/zinc/27/86/96/454278696.db2.gz MRPJMKNULMCPRO-SQNIBIBYSA-N 1 0 348.468 3.383 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)s1 ZINC000096072511 454280444 /nfs/dbraw/zinc/28/04/44/454280444.db2.gz LTLFTHGJBMNQKT-FUHWJXTLSA-N 1 0 330.453 3.264 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCC4CCOCC4)CO3)CC2)o1 ZINC000096106685 454285028 /nfs/dbraw/zinc/28/50/28/454285028.db2.gz ODCDSGXQQBKPRD-LJQANCHMSA-N 1 0 349.471 3.155 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3ccncc3)CC[C@H]2OC)cc1 ZINC000096110237 454286219 /nfs/dbraw/zinc/28/62/19/454286219.db2.gz HNOUKBKHHYFUOK-AZUAARDMSA-N 1 0 326.440 3.170 40 0 EGABRO COc1ccccc1C[NH2+]C[C@H]1Cn2cc(-c3ccccc3)nc2CO1 ZINC000096112885 454287014 /nfs/dbraw/zinc/28/70/14/454287014.db2.gz SYCKSFUMTFUICX-SFHVURJKSA-N 1 0 349.434 3.247 40 0 biogenic,in-vitro EGABRO Cc1noc(C)c1C[N@H+]1C[C@@H](C)[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096201769 454303081 /nfs/dbraw/zinc/30/30/81/454303081.db2.gz FOOVQNJBYUTZRJ-KZULUSFZSA-N 1 0 345.468 3.228 40 0 EGABRO Cc1noc(C)c1CN1CCC[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096215981 454305147 /nfs/dbraw/zinc/30/51/47/454305147.db2.gz NLQWLXFOUMHJBC-LJQANCHMSA-N 1 0 329.444 3.373 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@H]3C2)o1 ZINC000096251717 454313448 /nfs/dbraw/zinc/31/34/48/454313448.db2.gz WMTPVIRYBUDQRR-FHWLQOOXSA-N 1 0 339.439 3.130 40 0 EGABRO C[N@@H+]1CCC[C@]2(CN(Cc3ccc(C(F)(F)F)cc3)CCO2)C1 ZINC000096268594 454314843 /nfs/dbraw/zinc/31/48/43/454314843.db2.gz QCBSLZJODUVFDU-MRXNPFEDSA-N 1 0 328.378 3.002 40 0 EGABRO COc1ccccc1C[NH2+]C[C@H]1Cn2c(-c3ccccc3)cnc2CO1 ZINC000096296447 454317115 /nfs/dbraw/zinc/31/71/15/454317115.db2.gz GTDLAISUIZIAJV-SFHVURJKSA-N 1 0 349.434 3.247 40 0 biogenic,in-vitro EGABRO CCc1ncc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)s1 ZINC000096419575 454335622 /nfs/dbraw/zinc/33/56/22/454335622.db2.gz KCSCCHNBOBBIGJ-UHFFFAOYSA-N 1 0 328.441 3.430 40 0 EGABRO CC(C)c1nn(C)c(Cl)c1C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000096423591 454337614 /nfs/dbraw/zinc/33/76/14/454337614.db2.gz XRBVGEWNFAZWEN-ZDUSSCGKSA-N 1 0 340.899 3.049 40 0 EGABRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1cccs1 ZINC000096432960 454343429 /nfs/dbraw/zinc/34/34/29/454343429.db2.gz SHCZGKCBHFTESB-QGZVFWFLSA-N 1 0 328.481 3.271 40 0 EGABRO Cc1nnc(-c2ccc(NC(=O)N[C@H](C)C[NH+]3CCCCC3)cc2)o1 ZINC000096447267 454354416 /nfs/dbraw/zinc/35/44/16/454354416.db2.gz WFASLXJKKSXHIF-CYBMUJFWSA-N 1 0 343.431 3.041 40 0 EGABRO C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000096477603 454363952 /nfs/dbraw/zinc/36/39/52/454363952.db2.gz FEGMRGJEQNQSPW-DYVFJYSZSA-N 1 0 327.453 3.490 40 0 EGABRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccc(F)cc1F ZINC000096491672 454368321 /nfs/dbraw/zinc/36/83/21/454368321.db2.gz DWTLJCHKNYFOKD-LYRGGWFBSA-N 1 0 331.428 3.014 40 0 EGABRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000096491067 454368831 /nfs/dbraw/zinc/36/88/31/454368831.db2.gz UGAIBEOQWKUDML-JTQLQIEISA-N 1 0 334.769 3.383 40 0 EGABRO CCc1nc(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c[nH]1 ZINC000110665057 454851253 /nfs/dbraw/zinc/85/12/53/454851253.db2.gz RXBKRUBEGBTBHF-NVXWUHKLSA-N 1 0 340.471 3.270 40 0 EGABRO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCN(c3ncccc3F)C1)CCC2 ZINC000168175393 454926136 /nfs/dbraw/zinc/92/61/36/454926136.db2.gz ZSFCETMPHHSSMS-GXTWGEPZSA-N 1 0 346.475 3.486 40 0 EGABRO COCc1nc(CNc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)no1 ZINC000182492615 455524944 /nfs/dbraw/zinc/52/49/44/455524944.db2.gz GNCUTXSVIGXMHX-CYBMUJFWSA-N 1 0 330.432 3.188 40 0 EGABRO Cc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000247482873 455609752 /nfs/dbraw/zinc/60/97/52/455609752.db2.gz SWSJASRWIZTGPB-QFBILLFUSA-N 1 0 343.496 3.193 40 0 EGABRO CCc1onc(C)c1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248941407 455739690 /nfs/dbraw/zinc/73/96/90/455739690.db2.gz YUHVTNHFIVRUPX-CZUORRHYSA-N 1 0 342.443 3.187 40 0 EGABRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3ccsc3)[C@@H](C)C2)s1 ZINC000253420373 455844067 /nfs/dbraw/zinc/84/40/67/455844067.db2.gz WMAIVLFPQZWZTA-XHDPSFHLSA-N 1 0 335.498 3.153 40 0 EGABRO C[N@@H+]1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1cc2ccc(F)cc2[nH]1 ZINC000257205448 455880149 /nfs/dbraw/zinc/88/01/49/455880149.db2.gz AZCDNASIOWEOGQ-QZTJIDSGSA-N 1 0 329.419 3.396 40 0 EGABRO Cn1cc(C[NH+]2CCC3(CO[C@H](Cc4cccc(F)c4)C3)CC2)cn1 ZINC000257306818 455887577 /nfs/dbraw/zinc/88/75/77/455887577.db2.gz SWCBAVKHKYZHLA-LJQANCHMSA-N 1 0 343.446 3.173 40 0 EGABRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(O)c1 ZINC000194864710 455892727 /nfs/dbraw/zinc/89/27/27/455892727.db2.gz OWTVOOQHQAHJGL-AUUYWEPGSA-N 1 0 340.423 3.361 40 0 EGABRO CN(C)c1cccc(CC[C@H]2CCCC[N@@H+]2CC2CCOCC2)n1 ZINC000257331540 455893486 /nfs/dbraw/zinc/89/34/86/455893486.db2.gz XTHVAPRFRNQDKH-LJQANCHMSA-N 1 0 331.504 3.361 40 0 EGABRO Cn1nc(CC[NH2+][C@@H](c2cccs2)c2ncc[nH]2)c2ccccc21 ZINC000195121118 455923590 /nfs/dbraw/zinc/92/35/90/455923590.db2.gz DPQQXGPWLHUCGP-KRWDZBQOSA-N 1 0 337.452 3.280 40 0 EGABRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000195540596 455982462 /nfs/dbraw/zinc/98/24/62/455982462.db2.gz QGGVCJSGNWAMFM-UGSOOPFHSA-N 1 0 345.464 3.437 40 0 EGABRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccco1 ZINC000195552393 455983612 /nfs/dbraw/zinc/98/36/12/455983612.db2.gz NFZAZTFUNYIKFF-GDBMZVCRSA-N 1 0 327.428 3.150 40 0 EGABRO O=C(NCc1cn2ccccc2n1)c1scnc1C1CCCC1 ZINC000195562761 455984783 /nfs/dbraw/zinc/98/47/83/455984783.db2.gz CUDRGEMGSLVIAE-UHFFFAOYSA-N 1 0 326.425 3.378 40 0 EGABRO CC(C)[NH+]1CCC(Nc2cccc(CS(=O)(=O)C(C)C)c2)CC1 ZINC000195558685 455985080 /nfs/dbraw/zinc/98/50/80/455985080.db2.gz AVTCHJQPYRRUBG-UHFFFAOYSA-N 1 0 338.517 3.295 40 0 EGABRO C[C@H]([NH2+][C@H]1CCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)c1ccncc1 ZINC000195569396 455985792 /nfs/dbraw/zinc/98/57/92/455985792.db2.gz SUBXMRPIHFNJMC-BHYGNILZSA-N 1 0 349.434 3.340 40 0 EGABRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000211262868 456022064 /nfs/dbraw/zinc/02/20/64/456022064.db2.gz BEODXIGPQVXJIN-FOZYCNAUSA-N 1 0 329.465 3.248 40 0 EGABRO Cn1nc(CC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c2ccccc21 ZINC000188486085 456071186 /nfs/dbraw/zinc/07/11/86/456071186.db2.gz KWQHXUCRZHMIJA-LJQANCHMSA-N 1 0 331.423 3.218 40 0 EGABRO COc1ccc(Cl)cc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000225038677 456071815 /nfs/dbraw/zinc/07/18/15/456071815.db2.gz SORIESODVSKWTA-KBPBESRZSA-N 1 0 338.879 3.446 40 0 EGABRO Nc1c(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)ccnc1-c1ccccc1 ZINC000225557748 456091411 /nfs/dbraw/zinc/09/14/11/456091411.db2.gz YXIBHSMFTBVUED-MRXNPFEDSA-N 1 0 347.422 3.421 40 0 EGABRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1 ZINC000225643455 456099714 /nfs/dbraw/zinc/09/97/14/456099714.db2.gz SUCKEMZDVFWWAZ-IBGZPJMESA-N 1 0 334.460 3.161 40 0 EGABRO c1cc(-c2ccc3nc([C@H]4CCC[N@@H+](CC5CC5)C4)nn3c2)ccn1 ZINC000306144113 456569797 /nfs/dbraw/zinc/56/97/97/456569797.db2.gz YWISOWQPYCDBDJ-SFHVURJKSA-N 1 0 333.439 3.381 40 0 EGABRO Cc1cc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)nc(-c2cccnc2)n1 ZINC000299375090 456671900 /nfs/dbraw/zinc/67/19/00/456671900.db2.gz LUDHYWLNWNVGFX-INIZCTEOSA-N 1 0 325.460 3.379 40 0 EGABRO C[C@@H]1CCN(C(=O)c2c[nH]c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000329891225 456956999 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CN1c2ccccc2C2(CC[NH+](Cc3cccs3)CC2)S1(=O)=O ZINC000306126033 547459955 /nfs/dbraw/zinc/45/99/55/547459955.db2.gz DKDGDDQSPOBOHM-UHFFFAOYSA-N 1 0 348.493 3.019 40 0 EGABRO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2C1 ZINC000333285463 547532322 /nfs/dbraw/zinc/53/23/22/547532322.db2.gz IHPVSMSGNGLXSN-YOEHRIQHSA-N 1 0 342.468 3.328 40 0 EGABRO Cc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1 ZINC000012292162 201835171 /nfs/dbraw/zinc/83/51/71/201835171.db2.gz CFRDMUGCMHWEEH-IBGZPJMESA-N 1 0 329.415 3.151 40 0 EGABRO CC[NH+](CC)CCNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000016740414 201979457 /nfs/dbraw/zinc/97/94/57/201979457.db2.gz BMPAGKQURSGDTG-UHFFFAOYSA-N 1 0 348.450 3.368 40 0 EGABRO Cc1sc(NC(=O)c2ccccc2)c(CN2CC[NH+](C)CC2)c1C ZINC000019363377 202006034 /nfs/dbraw/zinc/00/60/34/202006034.db2.gz KYSWIUNTWAFWSN-UHFFFAOYSA-N 1 0 343.496 3.365 40 0 EGABRO O=C(c1ccccn1)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 ZINC000019373926 202007516 /nfs/dbraw/zinc/00/75/16/202007516.db2.gz DTTRAWPFCQXWGU-QWFCFKBJSA-N 1 0 335.451 3.222 40 0 EGABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccccn1)Cc1cccnc1NC ZINC000019527197 202009760 /nfs/dbraw/zinc/00/97/60/202009760.db2.gz BLRIHZZDFBLDBT-LJQANCHMSA-N 1 0 339.487 3.005 40 0 EGABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)Cc1ccccn1 ZINC000019527134 202010548 /nfs/dbraw/zinc/01/05/48/202010548.db2.gz SFBPPTOXGPFJQW-IBGZPJMESA-N 1 0 325.456 3.274 40 0 EGABRO COc1ccc(-c2cc([C@@H]3CC[N@H+](Cc4cccnc4)C3)[nH]n2)cc1 ZINC000019557940 202011291 /nfs/dbraw/zinc/01/12/91/202011291.db2.gz NQLCZQIEKQHEHX-QGZVFWFLSA-N 1 0 334.423 3.470 40 0 EGABRO c1c(CC2([NH2+]CC3CCCCC3)COC2)noc1-c1ccccn1 ZINC000067898245 202041326 /nfs/dbraw/zinc/04/13/26/202041326.db2.gz BJQNIDWPFLBUOS-UHFFFAOYSA-N 1 0 327.428 3.218 40 0 biogenic,in-vitro EGABRO Cc1cccc(O[C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)c1C ZINC000020454507 202042731 /nfs/dbraw/zinc/04/27/31/202042731.db2.gz BGVCOFXMZBSTCL-SFHVURJKSA-N 1 0 332.488 3.309 40 0 EGABRO COc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)c(C(C)(C)C)c1 ZINC000035031463 213005443 /nfs/dbraw/zinc/00/54/43/213005443.db2.gz SGTHNUUVQVXDIQ-HOTGVXAUSA-N 1 0 335.488 3.464 40 0 EGABRO Cc1ccsc1C(=O)N[C@H]1CCCc2c1cnn2-c1cc[nH+]cc1 ZINC000071195722 202342079 /nfs/dbraw/zinc/34/20/79/202342079.db2.gz LLCWXMVCTWEVDZ-HNNXBMFYSA-N 1 0 338.436 3.445 40 0 EGABRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccncc3F)cc2)C1 ZINC000073303554 202369615 /nfs/dbraw/zinc/36/96/15/202369615.db2.gz LDNACMOLVHANQH-AWEZNQCLSA-N 1 0 343.402 3.194 40 0 EGABRO COc1ccc(C[NH2+]CCC(=O)Nc2cccc(Cl)c2C)cc1O ZINC000078394231 202390305 /nfs/dbraw/zinc/39/03/05/202390305.db2.gz IHVXHANHNCXXCH-UHFFFAOYSA-N 1 0 348.830 3.481 40 0 EGABRO Cc1cccc(NC2CC[NH+](C[C@@H](O)c3cccc(F)c3)CC2)n1 ZINC000077316499 202391843 /nfs/dbraw/zinc/39/18/43/202391843.db2.gz ZWQNRZHMVIMGQY-GOSISDBHSA-N 1 0 329.419 3.139 40 0 EGABRO Cc1cccc(NC[C@H]2CCN(c3nnc(C(F)(F)F)s3)C2)[nH+]1 ZINC000154224959 201395327 /nfs/dbraw/zinc/39/53/27/201395327.db2.gz WAQMJXFARGGIMC-SNVBAGLBSA-N 1 0 343.378 3.199 40 0 EGABRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1cccc(-n2ccnc2)c1 ZINC000156123780 201399175 /nfs/dbraw/zinc/39/91/75/201399175.db2.gz IEYBNWRDJCUEPD-OAHLLOKOSA-N 1 0 327.428 3.209 40 0 EGABRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2sccc2Cl)c1 ZINC000193113042 240027678 /nfs/dbraw/zinc/02/76/78/240027678.db2.gz VIZBKONCPNNFGI-AWEZNQCLSA-N 1 0 327.833 3.242 40 0 EGABRO CC(C)c1ccc(OC[C@@H](O)C[n+]2cn(C)c3ccccc32)cc1 ZINC000000098602 201434557 /nfs/dbraw/zinc/43/45/57/201434557.db2.gz SJLWHYNBMRXPMQ-KRWDZBQOSA-N 1 0 325.432 3.029 40 0 EGABRO c1cc2c(cccc2CN2CC3(C2)CC[C@H](C[NH+]2CCCC2)CO3)[nH]1 ZINC000248104482 243524655 /nfs/dbraw/zinc/52/46/55/243524655.db2.gz QFJUGKVWJPMJNG-QGZVFWFLSA-N 1 0 339.483 3.245 40 0 EGABRO CCCc1cc(C(=O)N2CC[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)no1 ZINC000257200664 244118010 /nfs/dbraw/zinc/11/80/10/244118010.db2.gz AEINDEBCRGHVLX-AWEZNQCLSA-N 1 0 342.443 3.026 40 0 EGABRO CC1(c2nccs2)CC[NH+](Cc2ccnc(N3CCCC3)n2)CC1 ZINC000257209358 244146561 /nfs/dbraw/zinc/14/65/61/244146561.db2.gz BQBVCRVRFUZFIR-UHFFFAOYSA-N 1 0 343.500 3.087 40 0 EGABRO c1cc(C[C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n[nH]1 ZINC000257232646 244216575 /nfs/dbraw/zinc/21/65/75/244216575.db2.gz GLVABZNWDDCADE-INIZCTEOSA-N 1 0 333.439 3.321 40 0 EGABRO c1cncc(Oc2cncc(C3CC[NH+](Cc4ccncc4)CC3)n2)c1 ZINC000072383632 203210292 /nfs/dbraw/zinc/21/02/92/203210292.db2.gz HVGHJZWBIYONKL-UHFFFAOYSA-N 1 0 347.422 3.439 40 0 EGABRO c1cncc(Oc2nccnc2[C@@H]2CCC[N@H+](C3CCOCC3)C2)c1 ZINC000072384251 203210729 /nfs/dbraw/zinc/21/07/29/203210729.db2.gz GUWHMBUXCIMZMS-OAHLLOKOSA-N 1 0 340.427 3.022 40 0 EGABRO c1ccc(C[N@@H+]2CCC[C@H](c3nccnc3Oc3cccnc3)C2)nc1 ZINC000072383640 203211149 /nfs/dbraw/zinc/21/11/49/203211149.db2.gz SQXFKTJPHNGIJS-INIZCTEOSA-N 1 0 347.422 3.439 40 0 EGABRO Cc1sc2c([C@@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)nc(C)n2c1C ZINC000072351265 203205501 /nfs/dbraw/zinc/20/55/01/203205501.db2.gz KQNVVLPPBRSSGB-MRXNPFEDSA-N 1 0 343.500 3.434 40 0 EGABRO O=c1cc(C2CC[NH+](Cc3ccncc3)CC2)nc(-c2ccccn2)[nH]1 ZINC000072392828 203213066 /nfs/dbraw/zinc/21/30/66/203213066.db2.gz JMNPSVIPZZZIKO-UHFFFAOYSA-N 1 0 347.422 3.019 40 0 EGABRO Cn1cncc1-c1cncc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000257262892 244353425 /nfs/dbraw/zinc/35/34/25/244353425.db2.gz LNMHHHNJLIHZIE-KRWDZBQOSA-N 1 0 333.439 3.257 40 0 EGABRO Cc1noc(C)c1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000019580527 212047669 /nfs/dbraw/zinc/04/76/69/212047669.db2.gz GJTMOOVQNZHDGZ-UHFFFAOYSA-N 1 0 341.455 3.136 40 0 EGABRO CCC[C@H](c1nnnn1C(C)(C)CC)N1CC[NH+](C2CCCC2)CC1 ZINC000019501854 212034046 /nfs/dbraw/zinc/03/40/46/212034046.db2.gz SPEDDQJABAUJIR-QGZVFWFLSA-N 1 0 348.539 3.220 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)s1 ZINC000096053713 203813317 /nfs/dbraw/zinc/81/33/17/203813317.db2.gz JCYILSNOJZEELY-YJBOKZPZSA-N 1 0 344.455 3.286 40 0 EGABRO COCCC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000096158428 203846310 /nfs/dbraw/zinc/84/63/10/203846310.db2.gz BSFNUMZRQLPYMB-UHFFFAOYSA-N 1 0 344.499 3.236 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)o1 ZINC000107730570 204244977 /nfs/dbraw/zinc/24/49/77/204244977.db2.gz PABVQIWQFIOTEN-MOPGFXCFSA-N 1 0 328.412 3.186 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)cc1 ZINC000107751992 204247059 /nfs/dbraw/zinc/24/70/59/204247059.db2.gz BSSPCZNYZFNVOZ-SFTDATJTSA-N 1 0 345.483 3.493 40 0 EGABRO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)s1 ZINC000107745959 204247842 /nfs/dbraw/zinc/24/78/42/204247842.db2.gz YZVYYNGPNGUFFP-BJWYYQGGSA-N 1 0 330.453 3.034 40 0 EGABRO CCO[C@H](CC)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000048311594 204344933 /nfs/dbraw/zinc/34/49/33/204344933.db2.gz GQMVUMAMKLZEEN-LJQANCHMSA-N 1 0 332.488 3.350 40 0 EGABRO CCO[C@@H](CC)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000048311592 204346628 /nfs/dbraw/zinc/34/66/28/204346628.db2.gz GQMVUMAMKLZEEN-IBGZPJMESA-N 1 0 332.488 3.350 40 0 EGABRO Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000102317076 206382439 /nfs/dbraw/zinc/38/24/39/206382439.db2.gz OTZOUMAQGBXGAB-UHFFFAOYSA-N 1 0 342.487 3.238 40 0 EGABRO Cc1cc(C)c(C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)o1 ZINC000095427905 218369936 /nfs/dbraw/zinc/36/99/36/218369936.db2.gz WHKUBBLRSFWAMT-UHFFFAOYSA-N 1 0 342.395 3.058 40 0 EGABRO C[NH2+]Cc1cccc(NC(=O)Cc2ccccc2Br)c1 ZINC000095427852 218370061 /nfs/dbraw/zinc/37/00/61/218370061.db2.gz DAWYLZWCRDDLKQ-UHFFFAOYSA-N 1 0 333.229 3.350 40 0 EGABRO CSc1cccc(N(C(=O)c2cnsn2)C2CC[NH+](C)CC2)c1 ZINC000112247950 220272297 /nfs/dbraw/zinc/27/22/97/220272297.db2.gz JPJFNDOCJOWTMY-UHFFFAOYSA-N 1 0 348.497 3.001 40 0 EGABRO COC[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)cc1 ZINC000194102119 274050816 /nfs/dbraw/zinc/05/08/16/274050816.db2.gz XAOWKMCRJGQYNQ-SJORKVTESA-N 1 0 346.862 3.076 40 0 EGABRO COc1cc2cccnc2c(NC[C@@H](O)C[N@@H+]2CC[C@H](C)C[C@H]2C)c1 ZINC000004522432 274103120 /nfs/dbraw/zinc/10/31/20/274103120.db2.gz ASZGOXIFKOHFFV-ZMSDIMECSA-N 1 0 343.471 3.137 40 0 EGABRO Fc1cnc(N2CCC3(C2)CC[NH+](Cc2cccc(F)c2)CC3)nc1 ZINC000096062886 274915632 /nfs/dbraw/zinc/91/56/32/274915632.db2.gz OAKOYLLSTCXKKC-UHFFFAOYSA-N 1 0 344.409 3.247 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)cs1 ZINC000096061684 275064375 /nfs/dbraw/zinc/06/43/75/275064375.db2.gz ZEUXSZWGQBJMRC-UXHICEINSA-N 1 0 342.508 3.266 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000195558526 277186765 /nfs/dbraw/zinc/18/67/65/277186765.db2.gz UTNSQQUATZXUSP-VGWMRTNUSA-N 1 0 338.492 3.179 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC000072203351 278391199 /nfs/dbraw/zinc/39/11/99/278391199.db2.gz IAULGULSVNYHHL-CYBMUJFWSA-N 1 0 325.840 3.224 40 0 EGABRO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+]([C@@H]1CC(=O)N(c3ccc(F)cc3)C1=O)C2 ZINC000004171746 280177433 /nfs/dbraw/zinc/17/74/33/280177433.db2.gz RDGHEVPKBFRRFQ-YRNRMSPPSA-N 1 0 344.430 3.358 40 0 EGABRO C[C@H](C[C@@H]1CCCO1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163027609 323223796 /nfs/dbraw/zinc/22/37/96/323223796.db2.gz SRSAEHZHEJPBSE-MJGOQNOKSA-N 1 0 344.499 3.363 40 0 EGABRO CCn1c(C)[n+](C[C@@H](O)COc2c(C)cccc2C)c2ccccc21 ZINC000000316233 452562631 /nfs/dbraw/zinc/56/26/31/452562631.db2.gz QBIQVXGRYLNXLT-GOSISDBHSA-N 1 0 339.459 3.314 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1ccc(C)cc1 ZINC000001710821 452674921 /nfs/dbraw/zinc/67/49/21/452674921.db2.gz BLAYYINNKMRCSQ-OAQYLSRUSA-N 1 0 341.451 3.116 40 0 EGABRO Cn1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc2sccc21 ZINC000004971146 452830478 /nfs/dbraw/zinc/83/04/78/452830478.db2.gz YRKWCCNPKHQJNC-UHFFFAOYSA-N 1 0 331.485 3.330 40 0 EGABRO CC[NH+]1CCN(c2ccccc2NC(=O)C2(c3ccccc3)CC2)CC1 ZINC000008025221 453151919 /nfs/dbraw/zinc/15/19/19/453151919.db2.gz CQKGKOCLZLIBMY-UHFFFAOYSA-N 1 0 349.478 3.499 40 0 EGABRO Cc1nc2c3ccccc3nc(SCC[NH+]3CCCCC3)n2n1 ZINC000009939984 453268259 /nfs/dbraw/zinc/26/82/59/453268259.db2.gz WIYJJRGXRLCLDF-UHFFFAOYSA-N 1 0 327.457 3.164 40 0 EGABRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000010111310 453274902 /nfs/dbraw/zinc/27/49/02/453274902.db2.gz PLSGWKOXZQKZPW-HNNXBMFYSA-N 1 0 338.879 3.490 40 0 EGABRO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010541028 453295629 /nfs/dbraw/zinc/29/56/29/453295629.db2.gz LVOLHLIMAZHCDI-LJQANCHMSA-N 1 0 348.487 3.091 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccccc1C ZINC000010544232 453295759 /nfs/dbraw/zinc/29/57/59/453295759.db2.gz GQCQGALMXPLVPU-GOSISDBHSA-N 1 0 338.517 3.069 40 0 EGABRO O[C@]1(c2ccc(F)cc2)CCC[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000013266188 453455730 /nfs/dbraw/zinc/45/57/30/453455730.db2.gz JYZMRAZKRRPYGD-VDGAXYAQSA-N 1 0 326.415 3.340 40 0 EGABRO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@@H+](C2CCCCC2)C1 ZINC000015674616 453582417 /nfs/dbraw/zinc/58/24/17/453582417.db2.gz UZTSERYFAHZRJK-SJORKVTESA-N 1 0 327.428 3.101 40 0 biogenic,in-vitro EGABRO COc1ccc(-c2cc(=O)[nH]c(NC(=[NH2+])Nc3ccc(C)cc3)n2)cc1 ZINC000017072548 453629097 /nfs/dbraw/zinc/62/90/97/453629097.db2.gz HCBRFMMWNXSUTK-UHFFFAOYSA-N 1 0 349.394 3.213 40 0 EGABRO Oc1cccc(C[N@@H+]2CCC[C@H](c3noc(-c4ccccn4)n3)C2)c1 ZINC000019402983 453656540 /nfs/dbraw/zinc/65/65/40/453656540.db2.gz SQWPLQWMABNFIQ-HNNXBMFYSA-N 1 0 336.395 3.217 40 0 EGABRO CCn1c(C)cc(O)c([C@@H](c2ccncc2)[NH+]2CCC(C)CC2)c1=O ZINC000022697488 453697349 /nfs/dbraw/zinc/69/73/49/453697349.db2.gz VANPAXYTRDKDHW-LJQANCHMSA-N 1 0 341.455 3.099 40 0 EGABRO COc1cccc(NC(=O)CNC2(c3nc(C)cs3)CCCC2)c1 ZINC000081595898 453892591 /nfs/dbraw/zinc/89/25/91/453892591.db2.gz KCRZXBRTILUTJP-UHFFFAOYSA-N 1 0 345.468 3.458 40 0 EGABRO Cc1nnc([C@H](C)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)o1 ZINC000190796637 455384104 /nfs/dbraw/zinc/38/41/04/455384104.db2.gz UQXBQEGIPNKHGY-HNNXBMFYSA-N 1 0 343.475 3.390 40 0 EGABRO COc1ccc([C@H](CNC(=[NH2+])NC2CCCC2)N2CCCCC2)cc1 ZINC000058064453 454163092 /nfs/dbraw/zinc/16/30/92/454163092.db2.gz PSXLFRPDHLAKTO-IBGZPJMESA-N 1 0 344.503 3.279 40 0 EGABRO CC[NH+]1CCN(c2ccccc2NC(=O)NC2(C)CCCC2)CC1 ZINC000058326561 454186629 /nfs/dbraw/zinc/18/66/29/454186629.db2.gz HMEZZLYXWFZDQB-UHFFFAOYSA-N 1 0 330.476 3.283 40 0 EGABRO [NH3+][C@H](Cc1ccccc1)c1nc(COc2ccc(Cl)cc2)n[nH]1 ZINC000095534827 454231084 /nfs/dbraw/zinc/23/10/84/454231084.db2.gz BLXLJBCTHLBKKE-OAHLLOKOSA-N 1 0 328.803 3.280 40 0 EGABRO COc1ccccc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000046437994 454252488 /nfs/dbraw/zinc/25/24/88/454252488.db2.gz DLRIHFFXXNMORX-UHFFFAOYSA-N 1 0 340.427 3.091 40 0 EGABRO c1coc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC000096040218 454266728 /nfs/dbraw/zinc/26/67/28/454266728.db2.gz JJXWLGXJZZLBOO-UXHICEINSA-N 1 0 342.439 3.263 40 0 EGABRO O=C(c1cccs1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000096046520 454269907 /nfs/dbraw/zinc/26/99/07/454269907.db2.gz HXVXHLLCSPCUDM-UHFFFAOYSA-N 1 0 341.480 3.271 40 0 EGABRO c1csc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 ZINC000096048235 454271530 /nfs/dbraw/zinc/27/15/30/454271530.db2.gz OWTUZEKXYHYKHL-WMZOPIPTSA-N 1 0 330.453 3.346 40 0 EGABRO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)N1CCCC1)CC2 ZINC000096051609 454272319 /nfs/dbraw/zinc/27/23/19/454272319.db2.gz OPKYCPYQTSFPOR-KRWDZBQOSA-N 1 0 331.460 3.172 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)o1 ZINC000096051169 454272898 /nfs/dbraw/zinc/27/28/98/454272898.db2.gz QMFDNGLXNPLBDE-QGZVFWFLSA-N 1 0 348.397 3.116 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(C)c4)C(=O)[C@H]3C2)s1 ZINC000096053705 454273017 /nfs/dbraw/zinc/27/30/17/454273017.db2.gz FSOHOPXHAXZXDJ-HKUYNNGSSA-N 1 0 340.492 3.455 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccco2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096051122 454273243 /nfs/dbraw/zinc/27/32/43/454273243.db2.gz QORLMGFCMYHYGY-QGZVFWFLSA-N 1 0 333.382 3.412 40 0 EGABRO C[NH+](C)[C@@H](CNC(=O)N1CCc2ccc(F)cc21)c1ccccc1 ZINC000060216933 454274131 /nfs/dbraw/zinc/27/41/31/454274131.db2.gz WLRIMZAPDIPRHJ-SFHVURJKSA-N 1 0 327.403 3.201 40 0 EGABRO c1cc(C[N@H+]2CC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cs1 ZINC000096107799 454286207 /nfs/dbraw/zinc/28/62/07/454286207.db2.gz JTFDHFZONJECPW-MSOLQXFVSA-N 1 0 330.453 3.093 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3cccnc3)CC[C@@H]2OC)cc1 ZINC000096110550 454286846 /nfs/dbraw/zinc/28/68/46/454286846.db2.gz RYEDQNVICSMVBU-ICSRJNTNSA-N 1 0 326.440 3.170 40 0 EGABRO Fc1ccc(C[NH2+]C[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 ZINC000096112888 454287358 /nfs/dbraw/zinc/28/73/58/454287358.db2.gz NAQAAPFVZPEGHO-SFHVURJKSA-N 1 0 337.398 3.378 40 0 biogenic,in-vitro EGABRO Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)s1 ZINC000096201815 454302858 /nfs/dbraw/zinc/30/28/58/454302858.db2.gz GNOCXFWXRYLKBO-PKOBYXMFSA-N 1 0 326.465 3.162 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3c(C)noc3C)CC[C@H]2OC)cc1 ZINC000096207996 454304192 /nfs/dbraw/zinc/30/41/92/454304192.db2.gz WBPZNOVAHPTCBU-FXAWDEMLSA-N 1 0 344.455 3.380 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)o1 ZINC000096215881 454305222 /nfs/dbraw/zinc/30/52/22/454305222.db2.gz SRPXCCVLRWNTKE-HXUWFJFHSA-N 1 0 325.456 3.471 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccc[nH]4)C3)C2)o1 ZINC000096215917 454305435 /nfs/dbraw/zinc/30/54/35/454305435.db2.gz RZWCNMIZXCBSFW-LJQANCHMSA-N 1 0 327.428 3.044 40 0 EGABRO CC(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216456 454306777 /nfs/dbraw/zinc/30/67/77/454306777.db2.gz UUQYVCGNFSXBMJ-FQEVSTJZSA-N 1 0 330.472 3.036 40 0 EGABRO Fc1ccccc1OC[C@@H]1CO[C@@H]2C[N@@H+](C3CCSCC3)C[C@H]12 ZINC000096220332 454307778 /nfs/dbraw/zinc/30/77/78/454307778.db2.gz UKABCXBFRKADFK-DDUZABMNSA-N 1 0 337.460 3.047 40 0 EGABRO CC(C)[N@H+](C)C[C@@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)CO1 ZINC000096224952 454308843 /nfs/dbraw/zinc/30/88/43/454308843.db2.gz MEKAHFGRVHXPER-IBGZPJMESA-N 1 0 344.499 3.428 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@]3(CCN(C(=O)c4ccco4)C3)C2)o1 ZINC000096241224 454310980 /nfs/dbraw/zinc/31/09/80/454310980.db2.gz CXBOOBAJAYUFNG-IEBWSBKVSA-N 1 0 346.402 3.257 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCN(c4cccnc4)[C@H]3CC2)s1 ZINC000096249434 454311836 /nfs/dbraw/zinc/31/18/36/454311836.db2.gz RMXYOZYULYJJFG-RBUKOAKNSA-N 1 0 343.496 3.321 40 0 EGABRO c1csc(C[NH2+]C[C@H]2Cn3cc(-c4ccccc4)nc3CO2)c1 ZINC000096269382 454314914 /nfs/dbraw/zinc/31/49/14/454314914.db2.gz QKGACOMLWCGYDI-HNNXBMFYSA-N 1 0 325.437 3.300 40 0 biogenic,in-vitro EGABRO CC/C=C(\C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000096406032 454324202 /nfs/dbraw/zinc/32/42/02/454324202.db2.gz POMGNADPRAIGOH-QLGNDSFESA-N 1 0 330.472 3.359 40 0 EGABRO O=C(c1ncoc1[C@@H]1CCCO1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000096406353 454324424 /nfs/dbraw/zinc/32/44/24/454324424.db2.gz YHCZQZCAOAWVOR-HOTGVXAUSA-N 1 0 347.459 3.007 40 0 EGABRO C[NH+](C)[C@@H](CNC(=O)Nc1cccs1)c1ccc2c(c1)CCO2 ZINC000090607304 454327762 /nfs/dbraw/zinc/32/77/62/454327762.db2.gz JCZNOUCREXWTED-AWEZNQCLSA-N 1 0 331.441 3.107 40 0 EGABRO CCS[C@H]1CC[C@H]([N@H+](C)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000096443552 454351465 /nfs/dbraw/zinc/35/14/65/454351465.db2.gz RHKXBQKADZSMCO-KBPBESRZSA-N 1 0 331.485 3.072 40 0 EGABRO Cc1nnc(-c2ccc(NC(=O)N[C@@H](C)C[NH+]3CCCCC3)cc2)o1 ZINC000096447266 454354066 /nfs/dbraw/zinc/35/40/66/454354066.db2.gz WFASLXJKKSXHIF-ZDUSSCGKSA-N 1 0 343.431 3.041 40 0 EGABRO O=C(CC1=CCCCC1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000096449862 454355630 /nfs/dbraw/zinc/35/56/30/454355630.db2.gz IJRCCPROFDAWKQ-UHFFFAOYSA-N 1 0 342.483 3.150 40 0 EGABRO CS[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485944 454367761 /nfs/dbraw/zinc/36/77/61/454367761.db2.gz RFDGLBVFWXPHQO-IFUGULHKSA-N 1 0 344.883 3.340 40 0 EGABRO CC(C)[NH+]1CCC(NC(=O)CSc2ccnc3ccccc32)CC1 ZINC000079309284 454396109 /nfs/dbraw/zinc/39/61/09/454396109.db2.gz JQJLDJISEFZBRX-UHFFFAOYSA-N 1 0 343.496 3.316 40 0 EGABRO CCc1ccc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)o1 ZINC000097953786 454448142 /nfs/dbraw/zinc/44/81/42/454448142.db2.gz PEEISYHQYJDSPA-AQNXPRMDSA-N 1 0 342.439 3.186 40 0 EGABRO C[C@@H](CN1CCC[C@@H]1c1nc2ccccc2s1)CS(C)(=O)=O ZINC000162232064 454760924 /nfs/dbraw/zinc/76/09/24/454760924.db2.gz RFYLRZMHAGPACL-GXTWGEPZSA-N 1 0 338.498 3.114 40 0 EGABRO CCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000110595274 454848563 /nfs/dbraw/zinc/84/85/63/454848563.db2.gz FBPLIBPHGBXQDU-CVEARBPZSA-N 1 0 338.517 3.076 40 0 EGABRO Cc1ccc([C@H](C[NH2+]Cc2cccc3[nH]ccc32)N2CCOCC2)o1 ZINC000237648436 455202389 /nfs/dbraw/zinc/20/23/89/455202389.db2.gz XHETUQUTNMBYKS-IBGZPJMESA-N 1 0 339.439 3.232 40 0 EGABRO FC(F)(F)c1ccccc1[C@H]1CN(CC2=CCCOC2)CCO1 ZINC000182386369 455502624 /nfs/dbraw/zinc/50/26/24/455502624.db2.gz LRVOJSUHILITMC-MRXNPFEDSA-N 1 0 327.346 3.425 40 0 EGABRO Fc1cccnc1OCC[C@@H]1CCOC12CC[NH+](C1CCC1)CC2 ZINC000247517557 455617007 /nfs/dbraw/zinc/61/70/07/455617007.db2.gz KIUCJVZNZKSEGP-OAHLLOKOSA-N 1 0 334.435 3.413 40 0 EGABRO Cc1ncsc1CN1CC2(C1)C[C@H](OCc1cccnc1)CS2 ZINC000248019059 455670945 /nfs/dbraw/zinc/67/09/45/455670945.db2.gz IKKVNHPOLNFUNY-HNNXBMFYSA-N 1 0 347.509 3.123 40 0 EGABRO Cc1cc2nc([C@@H]3CCC[N@H+](C[C@@H]4CC=CCC4)C3)cc(N)n2n1 ZINC000248338512 455704852 /nfs/dbraw/zinc/70/48/52/455704852.db2.gz ROFPWHZCLSZMHV-HZPDHXFCSA-N 1 0 325.460 3.156 40 0 EGABRO FC(F)(F)c1ccn([C@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)n1 ZINC000248751859 455729466 /nfs/dbraw/zinc/72/94/66/455729466.db2.gz HCGTXHGQAXPDMT-ZFWWWQNUSA-N 1 0 347.381 3.082 40 0 EGABRO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3ccsc3)[C@H](C)C2)s1 ZINC000253420355 455844188 /nfs/dbraw/zinc/84/41/88/455844188.db2.gz WMAIVLFPQZWZTA-IAQYHMDHSA-N 1 0 335.498 3.153 40 0 EGABRO Cc1nc(C2CC2)oc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000253420645 455844581 /nfs/dbraw/zinc/84/45/81/455844581.db2.gz ZIWSHANXQKELEB-SUMWQHHRSA-N 1 0 339.439 3.253 40 0 EGABRO Cc1ccccc1OCC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@@H+]2C ZINC000257298418 455884935 /nfs/dbraw/zinc/88/49/35/455884935.db2.gz RLMYVPHLZHULEJ-ROPHOZQPSA-N 1 0 342.483 3.238 40 0 EGABRO C[N@H+](Cc1ccc(F)cn1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257323550 455892156 /nfs/dbraw/zinc/89/21/56/455892156.db2.gz WKVBVZJTWHJUAG-QYZOEREBSA-N 1 0 330.403 3.014 40 0 EGABRO Cc1cnc(C[N@@H+]2CCOC[C@@H](Cc3cccc4occc43)C2)cn1 ZINC000257335861 455894495 /nfs/dbraw/zinc/89/44/95/455894495.db2.gz YMFQFEPDMHMFSR-INIZCTEOSA-N 1 0 337.423 3.222 40 0 EGABRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000195529737 455980258 /nfs/dbraw/zinc/98/02/58/455980258.db2.gz QIXKIQCDYRSKHS-WBVHZDCISA-N 1 0 341.455 3.408 40 0 EGABRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](C[C@@H](O)COC(C)(C)C)C3)nc2c1 ZINC000195549540 455983272 /nfs/dbraw/zinc/98/32/72/455983272.db2.gz XKOYWPCBIOFVOA-HZPDHXFCSA-N 1 0 345.487 3.227 40 0 EGABRO Cn1nc(CC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c2ccccc21 ZINC000188486062 456070733 /nfs/dbraw/zinc/07/07/33/456070733.db2.gz KWQHXUCRZHMIJA-IBGZPJMESA-N 1 0 331.423 3.218 40 0 EGABRO Cc1ccccc1NC(=S)N1CC[NH+](C2CCSCC2)CC1 ZINC000225217452 456075809 /nfs/dbraw/zinc/07/58/09/456075809.db2.gz PMCNCSNWYGPXSK-UHFFFAOYSA-N 1 0 335.542 3.205 40 0 EGABRO c1csc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306137918 456568248 /nfs/dbraw/zinc/56/82/48/456568248.db2.gz RKCBXZLMELHCHT-HOTGVXAUSA-N 1 0 336.464 3.311 40 0 EGABRO C[N@@H+]1CCC[C@]12CCCN(C(=O)COc1cccc(Cl)c1)CC2 ZINC000585100204 459823180 /nfs/dbraw/zinc/82/31/80/459823180.db2.gz HMUHYZJZFNXOTP-GOSISDBHSA-N 1 0 336.863 3.196 40 0 EGABRO c1nc2ccccn2c1-c1cccc(C[C@@H]2COC3(C2)CC[NH2+]CC3)n1 ZINC000585262971 459832006 /nfs/dbraw/zinc/83/20/06/459832006.db2.gz GHLDQQNNBGAWQS-INIZCTEOSA-N 1 0 348.450 3.098 40 0 EGABRO O[C@H]1[C@H](Oc2ccccc2F)CCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000585290029 459833201 /nfs/dbraw/zinc/83/32/01/459833201.db2.gz QALFQNBCIUXBPV-DFQSSKMNSA-N 1 0 347.405 3.458 40 0 EGABRO C[NH+](C)C/C=C/C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)CCO2 ZINC000585289314 459833441 /nfs/dbraw/zinc/83/34/41/459833441.db2.gz HXXYYJJHQYFAHC-AIADIJKESA-N 1 0 342.483 3.060 40 0 EGABRO CC(C)(C)c1ccc(C(=O)NCC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000575605696 459979852 /nfs/dbraw/zinc/97/98/52/459979852.db2.gz GWPKUXHGKKXKFF-IBGZPJMESA-N 1 0 344.499 3.215 40 0 EGABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCc2cccnc2)c1 ZINC000257239862 536022232 /nfs/dbraw/zinc/02/22/32/536022232.db2.gz HRCMPITWNOQUEH-UHFFFAOYSA-N 1 0 346.434 3.135 40 0 EGABRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)CC1 ZINC000028241510 1291303497 /nfs/dbraw/zinc/30/34/97/1291303497.db2.gz QUNLOCSXHOVUHH-UXHICEINSA-N 1 0 335.451 3.181 40 0 EGABRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)CC1 ZINC000028241502 1291304260 /nfs/dbraw/zinc/30/42/60/1291304260.db2.gz QUNLOCSXHOVUHH-WOJBJXKFSA-N 1 0 335.451 3.181 40 0 EGABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccccc1 ZINC000012293292 201835282 /nfs/dbraw/zinc/83/52/82/201835282.db2.gz LCAKEVQNPLJYRL-MOPGFXCFSA-N 1 0 339.435 3.071 40 0 EGABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)[nH]c2c1cccc2C ZINC000012362827 201840601 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O=C(c1ccncc1)N1CCC[N@H+](CCSc2ccccc2)CC1 ZINC000074352612 202373954 /nfs/dbraw/zinc/37/39/54/202373954.db2.gz GEDPTTHTEFTEAN-UHFFFAOYSA-N 1 0 341.480 3.022 40 0 EGABRO O=C(Nc1ccc(CC[NH+]2CCC(O)CC2)cc1)c1cccc(F)c1 ZINC000075415388 202381340 /nfs/dbraw/zinc/38/13/40/202381340.db2.gz ZJQHMTSPOMHULG-UHFFFAOYSA-N 1 0 342.414 3.077 40 0 EGABRO CCn1nc(C)c(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1C ZINC000078552487 202395997 /nfs/dbraw/zinc/39/59/97/202395997.db2.gz AUWVGTUMKJDNEZ-MRXNPFEDSA-N 1 0 341.377 3.060 40 0 EGABRO C[N@@H+]1C[C@@H](CNC(=O)Nc2cccc(F)c2)[C@@H](c2cccs2)C1 ZINC000227150480 201038245 /nfs/dbraw/zinc/03/82/45/201038245.db2.gz FVTHARXFFOEOLI-DOMZBBRYSA-N 1 0 333.432 3.354 40 0 EGABRO C/C(=C\c1ccccc1)C[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000192706013 201054004 /nfs/dbraw/zinc/05/40/04/201054004.db2.gz PYADVVWJNHBIOA-MOKGIYGOSA-N 1 0 333.435 3.478 40 0 EGABRO Cc1ncc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(C2CC2)n1 ZINC000281390656 201327144 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O=C(CC1CC[NH2+]CC1)Nc1cccc(CSC2CCOCC2)c1 ZINC000238151311 242940348 /nfs/dbraw/zinc/94/03/48/242940348.db2.gz IIXUGZCTPVHQHV-UHFFFAOYSA-N 1 0 348.512 3.427 40 0 EGABRO CCN1CC[C@H]([NH2+]Cc2ccn(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241515642 242992979 /nfs/dbraw/zinc/99/29/79/242992979.db2.gz OGSFPYBSIPRHBB-DLBZAZTESA-N 1 0 336.842 3.138 40 0 EGABRO Cc1cc(C)n2nc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)cc2n1 ZINC000035315306 201674658 /nfs/dbraw/zinc/67/46/58/201674658.db2.gz NSRKMYSQRMCEEF-UHFFFAOYSA-N 1 0 349.438 3.194 40 0 EGABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000257211227 244149126 /nfs/dbraw/zinc/14/91/26/244149126.db2.gz BXZSWYHUPCPINX-MRXNPFEDSA-N 1 0 341.430 3.155 40 0 EGABRO Cn1cncc1-c1nccnc1CC1CC[NH+](C2CCCCC2)CC1 ZINC000257213343 244158148 /nfs/dbraw/zinc/15/81/48/244158148.db2.gz CHDHOUYLUAFQET-UHFFFAOYSA-N 1 0 339.487 3.464 40 0 EGABRO COCC[N@@H+]1CCC[C@@H](c2cc(Nc3cccc(C)n3)nc(C)n2)C1 ZINC000072360195 203205542 /nfs/dbraw/zinc/20/55/42/203205542.db2.gz DFHOSCWZEZYEPR-MRXNPFEDSA-N 1 0 341.459 3.058 40 0 EGABRO O[C@@H]1CCCC[C@H]1[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1 ZINC000072367425 203208073 /nfs/dbraw/zinc/20/80/73/203208073.db2.gz FGTHVTNZGCCVEI-HZPDHXFCSA-N 1 0 343.389 3.292 40 0 EGABRO C[N@H+](Cc1ccccc1)Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392293 203213077 /nfs/dbraw/zinc/21/30/77/203213077.db2.gz OHNRRJOVXKOZGK-UHFFFAOYSA-N 1 0 329.407 3.423 40 0 EGABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC000072392530 203213714 /nfs/dbraw/zinc/21/37/14/203213714.db2.gz PAGTXOPIEMNVEY-NBQZKYEYSA-N 1 0 344.405 3.398 40 0 EGABRO CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCC[NH2+]C1 ZINC000072391910 203213738 /nfs/dbraw/zinc/21/37/38/203213738.db2.gz PTCVLZMXHJXFRC-NRFANRHFSA-N 1 0 338.451 3.021 40 0 EGABRO C[C@@H]1C[NH+](Cc2c3cccnc3[nH]c2C2CCOCC2)C[C@@H](C)O1 ZINC000072394991 203214151 /nfs/dbraw/zinc/21/41/51/203214151.db2.gz PEJHWGRRIHCAST-ZIAGYGMSSA-N 1 0 329.444 3.066 40 0 EGABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3cccc(OC)c3)C2)c1 ZINC000257272816 244381808 /nfs/dbraw/zinc/38/18/08/244381808.db2.gz NDZDVDHYEOZHDD-HNNXBMFYSA-N 1 0 325.412 3.070 40 0 EGABRO C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc2ccccc2c1 ZINC000129314516 203548396 /nfs/dbraw/zinc/54/83/96/203548396.db2.gz BOURVSQNQHWQSX-HOTGVXAUSA-N 1 0 325.456 3.494 40 0 EGABRO O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](CCCc3ccccc3)[C@@H]2C1 ZINC000107798605 204247925 /nfs/dbraw/zinc/24/79/25/204247925.db2.gz ODAWGHBAUACBMA-AZUAARDMSA-N 1 0 335.451 3.467 40 0 EGABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000126892648 205075958 /nfs/dbraw/zinc/07/59/58/205075958.db2.gz DZSDMGVDGMQLRC-VIFPVBQESA-N 1 0 331.641 3.383 40 0 EGABRO C[NH+]1CCC(CCNC(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000156315419 206069393 /nfs/dbraw/zinc/06/93/93/206069393.db2.gz HUMHYTVOOOWYST-UHFFFAOYSA-N 1 0 340.920 3.421 40 0 EGABRO O=C(c1cccs1)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257259412 296267565 /nfs/dbraw/zinc/26/75/65/296267565.db2.gz KYGILJLQIVGIJW-INIZCTEOSA-N 1 0 342.464 3.306 40 0 EGABRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000108929381 206531480 /nfs/dbraw/zinc/53/14/80/206531480.db2.gz RWIXOFLYDZVQRN-FCEWJHQRSA-N 1 0 345.487 3.019 40 0 EGABRO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000097237265 219003103 /nfs/dbraw/zinc/00/31/03/219003103.db2.gz NLUNINXMEKAMMG-UHFFFAOYSA-N 1 0 338.451 3.416 40 0 EGABRO COc1cc2c(cc1F)[nH+]ccc2N1CCC(Cn2cccn2)CC1 ZINC000373544418 144512883 /nfs/dbraw/zinc/51/28/83/144512883.db2.gz FVZGZDYTXSGKLD-UHFFFAOYSA-N 1 0 340.402 3.496 40 0 EGABRO Fc1cccc(C[NH+]2CCC3(CCN(c4ncccn4)C3)CC2)c1 ZINC000096157584 274914369 /nfs/dbraw/zinc/91/43/69/274914369.db2.gz TXKDSGCMMOXAQF-UHFFFAOYSA-N 1 0 326.419 3.108 40 0 EGABRO CCO[C@@H]1CC2(CC[NH+]([C@@H]3CCOC3)CC2)c2cc(OC)ccc21 ZINC000096241877 276335963 /nfs/dbraw/zinc/33/59/63/276335963.db2.gz TZRYPHVNMHINEB-DNVCBOLYSA-N 1 0 331.456 3.299 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)s1 ZINC000096061400 280813744 /nfs/dbraw/zinc/81/37/44/280813744.db2.gz IJLMGTLRFTXBBK-QGZVFWFLSA-N 1 0 341.480 3.090 40 0 EGABRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC1 ZINC000133061355 323220550 /nfs/dbraw/zinc/22/05/50/323220550.db2.gz VCNPZRXRDLDBEX-LOTPSLMQSA-N 1 0 349.544 3.168 40 0 EGABRO COC(=O)c1ccc2[nH]c(C)c(C[N@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000000144130 452519037 /nfs/dbraw/zinc/51/90/37/452519037.db2.gz KWZFHKOEAAIKJE-UHFFFAOYSA-N 1 0 342.439 3.388 40 0 EGABRO CC(C)C[NH2+]CCCC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 ZINC000001668552 452672319 /nfs/dbraw/zinc/67/23/19/452672319.db2.gz RMROUQCHYQEJAV-UHFFFAOYSA-N 1 0 334.460 3.464 40 0 EGABRO CCC(=O)N(Cc1ccc(OC)c(OC)c1)[C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000004188093 452798275 /nfs/dbraw/zinc/79/82/75/452798275.db2.gz PLOYJZJBKMLKKY-ZOBUZTSGSA-N 1 0 348.487 3.171 40 0 EGABRO CC[NH+](CC)CCNC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000004963798 452826879 /nfs/dbraw/zinc/82/68/79/452826879.db2.gz OEDBPEVMRIBDOP-UHFFFAOYSA-N 1 0 325.456 3.185 40 0 EGABRO Cc1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1Br ZINC000005000571 452832541 /nfs/dbraw/zinc/83/25/41/452832541.db2.gz LPSVSVIFLHYISI-UHFFFAOYSA-N 1 0 325.250 3.428 40 0 EGABRO CCOc1cc(C[NH2+]CC(C)C)ccc1OCC(=O)NC(C)(C)C ZINC000008254404 453182925 /nfs/dbraw/zinc/18/29/25/453182925.db2.gz VKUMHLZRKDGXAU-UHFFFAOYSA-N 1 0 336.476 3.124 40 0 EGABRO CCCn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cn1 ZINC000012242285 453352017 /nfs/dbraw/zinc/35/20/17/453352017.db2.gz QRMQFMHKUCSROJ-XEWABKELSA-N 1 0 343.446 3.447 40 0 EGABRO Cc1cc2nc([C@@H]3CCC[N@H+](C[C@H]4CC=CCC4)C3)cc(N)n2n1 ZINC000012667655 453391180 /nfs/dbraw/zinc/39/11/80/453391180.db2.gz ROFPWHZCLSZMHV-JKSUJKDBSA-N 1 0 325.460 3.156 40 0 EGABRO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)on1 ZINC000013226070 453453629 /nfs/dbraw/zinc/45/36/29/453453629.db2.gz JKJYHRFGBXHNPF-KBPBESRZSA-N 1 0 346.456 3.374 40 0 EGABRO C[C@@H]1CN(c2nccc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)n2)C[C@H](C)O1 ZINC000019497689 453656804 /nfs/dbraw/zinc/65/68/04/453656804.db2.gz JSRKLFWAMGIZPM-ZMMAXQRCSA-N 1 0 344.503 3.245 40 0 EGABRO COc1ccc(C[N@@H+]2CCCCC[C@@H]3[C@@H]2CCN3C(C)=O)c(OC)c1 ZINC000019712351 453658872 /nfs/dbraw/zinc/65/88/72/453658872.db2.gz UFLXIAMWHLEUMS-RBUKOAKNSA-N 1 0 346.471 3.069 40 0 EGABRO O=C(NCc1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000025065157 453757450 /nfs/dbraw/zinc/75/74/50/453757450.db2.gz GNKFACHENFYISS-INIZCTEOSA-N 1 0 329.469 3.384 40 0 EGABRO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000026439402 453799574 /nfs/dbraw/zinc/79/95/74/453799574.db2.gz IUTNTJBEHPQFPJ-KRWDZBQOSA-N 1 0 335.536 3.116 40 0 EGABRO CNc1snc(C)c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000027602739 453819360 /nfs/dbraw/zinc/81/93/60/453819360.db2.gz XBHBLWMVXXAQKJ-HNNXBMFYSA-N 1 0 344.484 3.060 40 0 EGABRO C[C@H](O)C[NH2+]CCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000038240396 453940857 /nfs/dbraw/zinc/94/08/57/453940857.db2.gz AHCKIDANPCIMFN-NSHDSACASA-N 1 0 343.254 3.313 40 0 EGABRO CCC[C@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1ccccc1 ZINC000057293238 454118384 /nfs/dbraw/zinc/11/83/84/454118384.db2.gz RSSJIMYIAVHXAR-SFHVURJKSA-N 1 0 339.439 3.143 40 0 EGABRO COc1cccc2cc([C@@H](C)NC(=O)C[N@H+](C)[C@@H]3CCSC3)oc21 ZINC000095449022 454214610 /nfs/dbraw/zinc/21/46/10/454214610.db2.gz LXYSXCZQYPDRSW-TZMCWYRMSA-N 1 0 348.468 3.056 40 0 EGABRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccccc1 ZINC000058979987 454249289 /nfs/dbraw/zinc/24/92/89/454249289.db2.gz ZTZWBICGABZDQN-RTBURBONSA-N 1 0 337.419 3.181 40 0 EGABRO Cc1cccc(NC(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000059916440 454264438 /nfs/dbraw/zinc/26/44/38/454264438.db2.gz QHVLNRZGZXEXBN-UHFFFAOYSA-N 1 0 335.451 3.312 40 0 EGABRO c1ccc(CC[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC000096042179 454268646 /nfs/dbraw/zinc/26/86/46/454268646.db2.gz WMOPEWHJQIXUGM-PCCBWWKXSA-N 1 0 338.451 3.073 40 0 EGABRO c1ccc(CO[C@@H]2COC3(C2)CC[NH+](CC2CCOCC2)CC3)cc1 ZINC000096047871 454270906 /nfs/dbraw/zinc/27/09/06/454270906.db2.gz PYXZKFDGIZQFAA-FQEVSTJZSA-N 1 0 345.483 3.253 40 0 EGABRO c1cc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)cs1 ZINC000096048242 454271034 /nfs/dbraw/zinc/27/10/34/454271034.db2.gz RYGMJMVSWIKWKK-MSOLQXFVSA-N 1 0 330.453 3.346 40 0 EGABRO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@H+](Cc1cccs1)C2 ZINC000096048615 454271576 /nfs/dbraw/zinc/27/15/76/454271576.db2.gz JWHIJUWUPVUJJY-LJQANCHMSA-N 1 0 341.480 3.158 40 0 EGABRO CC(C)NC(=O)C[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048161 454271911 /nfs/dbraw/zinc/27/19/11/454271911.db2.gz UQXOIHZQJJYHQI-INIZCTEOSA-N 1 0 336.501 3.034 40 0 EGABRO O=C1[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096053714 454272387 /nfs/dbraw/zinc/27/23/87/454272387.db2.gz RETHYEIUGWYVFY-LPHOPBHVSA-N 1 0 342.389 3.055 40 0 EGABRO Cn1cccc1C(=O)N1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC000096051583 454272989 /nfs/dbraw/zinc/27/29/89/454272989.db2.gz IDZPPPUTSFYHGV-GOSISDBHSA-N 1 0 341.455 3.135 40 0 EGABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)co1 ZINC000096065146 454278983 /nfs/dbraw/zinc/27/89/83/454278983.db2.gz QUVPMDXGNAYNCP-UXHICEINSA-N 1 0 342.439 3.263 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)o1 ZINC000096083130 454279467 /nfs/dbraw/zinc/27/94/67/454279467.db2.gz AJWAMYVIGCIZGV-VAMGGRTRSA-N 1 0 349.471 3.153 40 0 EGABRO c1csc(CN2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)n1 ZINC000096074714 454279729 /nfs/dbraw/zinc/27/97/29/454279729.db2.gz RJLWSMBSMGZJMU-UHFFFAOYSA-N 1 0 343.496 3.010 40 0 EGABRO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc2ccccc2o1 ZINC000090116346 454281902 /nfs/dbraw/zinc/28/19/02/454281902.db2.gz DZNHDPNYEXQCRE-HIFRSBDPSA-N 1 0 338.411 3.013 40 0 EGABRO COc1ccc2c(c1)C1(CCN(Cc3nccs3)CC1)[N@@H+](C)CC2 ZINC000096100212 454282392 /nfs/dbraw/zinc/28/23/92/454282392.db2.gz FTWGWYRQZANHBP-UHFFFAOYSA-N 1 0 343.496 3.131 40 0 EGABRO c1cc(C[NH+]2CCC3(CO[C@@H](COCc4ccncc4)C3)CC2)co1 ZINC000096106165 454284524 /nfs/dbraw/zinc/28/45/24/454284524.db2.gz QHKCIZAXUGEUPS-LJQANCHMSA-N 1 0 342.439 3.263 40 0 EGABRO c1coc(C[NH+]2CCC3(CO[C@@H](COCC4CCOCC4)C3)CC2)c1 ZINC000096110783 454286865 /nfs/dbraw/zinc/28/68/65/454286865.db2.gz BWVMJGDRKQQLND-LJQANCHMSA-N 1 0 349.471 3.094 40 0 EGABRO c1csc(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)n1 ZINC000096111032 454287705 /nfs/dbraw/zinc/28/77/05/454287705.db2.gz YGPJOTKYBBTDOE-AEFFLSMTSA-N 1 0 329.469 3.357 40 0 EGABRO C[N@H+](CCc1cccc2ccccc21)CC(=O)NCc1cccnc1 ZINC000078640954 454291206 /nfs/dbraw/zinc/29/12/06/454291206.db2.gz LWEPBQZTJFIITB-UHFFFAOYSA-N 1 0 333.435 3.026 40 0 EGABRO c1csc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000096186126 454299354 /nfs/dbraw/zinc/29/93/54/454299354.db2.gz GDSUOLZXADNFFL-NEWSRXKRSA-N 1 0 344.480 3.482 40 0 EGABRO Cc1cccc(COC[C@H]2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccco3)O2)n1 ZINC000096186771 454299374 /nfs/dbraw/zinc/29/93/74/454299374.db2.gz JPUOFJDGVOPHJD-AABGKKOBSA-N 1 0 342.439 3.322 40 0 EGABRO CC(C)[N@H+](C)Cc1cncc2c1CCN(C(=O)c1ccccc1F)C2 ZINC000096189469 454299480 /nfs/dbraw/zinc/29/94/80/454299480.db2.gz QFPDTLFPRUPELI-UHFFFAOYSA-N 1 0 341.430 3.259 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)o1 ZINC000096186163 454299601 /nfs/dbraw/zinc/29/96/01/454299601.db2.gz ILXGUZDRISPLOX-UFYCRDLUSA-N 1 0 342.439 3.322 40 0 EGABRO Cn1ccnc1C[N@@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC000096200091 454303050 /nfs/dbraw/zinc/30/30/50/454303050.db2.gz KALDKSJZLUDKIU-RBUKOAKNSA-N 1 0 325.456 3.032 40 0 EGABRO CCOC[C@@H]1CCC2(CCN(C(=O)CC3=CCCCC3)CC2)[N@@H+]1C ZINC000096208295 454304053 /nfs/dbraw/zinc/30/40/53/454304053.db2.gz ZWRFGFUWCIUNSV-SFHVURJKSA-N 1 0 334.504 3.369 40 0 EGABRO Cc1csc(CN2CCC3(CC[C@@H](COCC4CC4)[N@H+]3C)CC2)n1 ZINC000096208748 454305475 /nfs/dbraw/zinc/30/54/75/454305475.db2.gz LUZUGRCUUNGPLV-KRWDZBQOSA-N 1 0 349.544 3.307 40 0 EGABRO c1ccc(NC[C@H]2CCC[C@]3(CC[N@H+](Cc4cccnc4)C3)O2)nc1 ZINC000096215472 454305797 /nfs/dbraw/zinc/30/57/97/454305797.db2.gz RMSXJDRCQDYHCM-UYAOXDASSA-N 1 0 338.455 3.102 40 0 EGABRO Cc1cccc(CO[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccoc2)C3)n1 ZINC000096208524 454306294 /nfs/dbraw/zinc/30/62/94/454306294.db2.gz IFBPUSGCDQAIPM-PMACEKPBSA-N 1 0 342.439 3.323 40 0 EGABRO Fc1cccnc1N[C@@H]1CO[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096219182 454306569 /nfs/dbraw/zinc/30/65/69/454306569.db2.gz GVKSBLLBBYSCGJ-SUMWQHHRSA-N 1 0 333.432 3.128 40 0 EGABRO Cc1noc(C[C@H]2CO[C@@H]3C[N@H+](Cc4cccc5ccccc54)C[C@H]23)n1 ZINC000096218987 454306602 /nfs/dbraw/zinc/30/66/02/454306602.db2.gz LQVNYKLTTYXHNL-DFQSSKMNSA-N 1 0 349.434 3.221 40 0 EGABRO CCc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)o1 ZINC000096216843 454306865 /nfs/dbraw/zinc/30/68/65/454306865.db2.gz NWHMYTIXRGRALT-IBGZPJMESA-N 1 0 326.444 3.125 40 0 EGABRO Fc1cccnc1N[C@H]1CO[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096219186 454307177 /nfs/dbraw/zinc/30/71/77/454307177.db2.gz GVKSBLLBBYSCGJ-DYVFJYSZSA-N 1 0 333.432 3.128 40 0 EGABRO Cc1cc(C)cc(C[NH+]2CCC3(C[C@@H](NC(=O)C(C)C)CO3)CC2)c1 ZINC000096220631 454307964 /nfs/dbraw/zinc/30/79/64/454307964.db2.gz YGHRWAINLPAUNE-LJQANCHMSA-N 1 0 344.499 3.199 40 0 EGABRO Fc1cccnc1N[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccco1)C2 ZINC000096222998 454308707 /nfs/dbraw/zinc/30/87/07/454308707.db2.gz OZDGSDVDQYQUEW-KSSFIOAISA-N 1 0 331.391 3.049 40 0 EGABRO Fc1ccc(-c2ncnc3c2CC[N@H+](CC2CCOCC2)CC3)cc1 ZINC000096255293 454312620 /nfs/dbraw/zinc/31/26/20/454312620.db2.gz HWQGMOGDKGGONO-UHFFFAOYSA-N 1 0 341.430 3.110 40 0 EGABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4cccc(C)c4)C[C@@H]32)C(=O)N1CC ZINC000096261612 454314814 /nfs/dbraw/zinc/31/48/14/454314814.db2.gz VIZAZVWTJSBQOB-LVCYWYKZSA-N 1 0 339.483 3.246 40 0 EGABRO COc1ccccc1C[C@@H](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000096404705 454323588 /nfs/dbraw/zinc/32/35/88/454323588.db2.gz ZYSXOUIMWQUFTK-MRXNPFEDSA-N 1 0 332.488 3.253 40 0 EGABRO O=C(C[C@@H]1CCOc2ccccc21)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000096426732 454339507 /nfs/dbraw/zinc/33/95/07/454339507.db2.gz CVCFXRNCGMEHTO-MSOLQXFVSA-N 1 0 342.483 3.277 40 0 EGABRO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000096477599 454364114 /nfs/dbraw/zinc/36/41/14/454364114.db2.gz FEGMRGJEQNQSPW-CXAGYDPISA-N 1 0 327.453 3.490 40 0 EGABRO C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000096477596 454364242 /nfs/dbraw/zinc/36/42/42/454364242.db2.gz FEGMRGJEQNQSPW-SUMWQHHRSA-N 1 0 327.453 3.490 40 0 EGABRO CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000096483951 454366112 /nfs/dbraw/zinc/36/61/12/454366112.db2.gz UTYYPJLIVHIFAN-LBPRGKRZSA-N 1 0 334.769 3.459 40 0 EGABRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000096483959 454366317 /nfs/dbraw/zinc/36/63/17/454366317.db2.gz SFJKWEMRAVIBOM-SECBINFHSA-N 1 0 343.798 3.272 40 0 EGABRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)on1 ZINC000096492233 454369946 /nfs/dbraw/zinc/36/99/46/454369946.db2.gz FGTKCFHXHFHNPB-CQSZACIVSA-N 1 0 336.395 3.334 40 0 EGABRO [NH3+]Cc1sc(Br)c(Br)c1Br ZINC000096525475 454373344 /nfs/dbraw/zinc/37/33/44/454373344.db2.gz RRXWMMFZYQSRJD-UHFFFAOYSA-N 1 0 349.873 3.494 40 0 EGABRO COc1ccc([C@@H]2CCCCC[N@@H+]2CCCCS(C)(=O)=O)cc1 ZINC000097227750 454425976 /nfs/dbraw/zinc/42/59/76/454425976.db2.gz PTXGVCFALCIYQC-SFHVURJKSA-N 1 0 339.501 3.437 40 0 EGABRO COc1ccc(CN2CCC([NH2+][C@H](C)c3c[nH]nc3C)CC2)cc1F ZINC000097233889 454428652 /nfs/dbraw/zinc/42/86/52/454428652.db2.gz BVGWHBBIOHXZOC-CYBMUJFWSA-N 1 0 346.450 3.181 40 0 EGABRO CC[C@@H]1CCC[N@H+](CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)C1 ZINC000097286462 454430461 /nfs/dbraw/zinc/43/04/61/454430461.db2.gz VYIUCDWHFXKMMK-CLCXKQKWSA-N 1 0 335.492 3.203 40 0 EGABRO CC(C)N(C)c1cccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000102716284 454517715 /nfs/dbraw/zinc/51/77/15/454517715.db2.gz IVZFVJLCASNTHN-SFHVURJKSA-N 1 0 328.460 3.009 40 0 EGABRO Cc1cc(Cl)ccc1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000136182217 454726182 /nfs/dbraw/zinc/72/61/82/454726182.db2.gz HXESFDIIKUFIHJ-UHFFFAOYSA-N 1 0 333.863 3.217 40 0 EGABRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Br)cc1F ZINC000127506497 454971491 /nfs/dbraw/zinc/97/14/91/454971491.db2.gz OWLNPRLSFIEJBZ-TVQRCGJNSA-N 1 0 334.254 3.107 40 0 EGABRO Cc1ccc2cc(C[NH2+][C@H]3CCN(C(=O)C4CCCC4)C3)ccc2n1 ZINC000189384816 455188578 /nfs/dbraw/zinc/18/85/78/455188578.db2.gz JDLMOPXWCCUWLP-IBGZPJMESA-N 1 0 337.467 3.424 40 0 EGABRO O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000237766584 455216253 /nfs/dbraw/zinc/21/62/53/455216253.db2.gz ITSPHTNPNHBJRH-ZDUSSCGKSA-N 1 0 348.340 3.184 40 0 EGABRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000245338711 455282567 /nfs/dbraw/zinc/28/25/67/455282567.db2.gz NYZQYVUBBAZJFI-POAQFYNOSA-N 1 0 344.499 3.184 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)o1 ZINC000248117135 455681604 /nfs/dbraw/zinc/68/16/04/455681604.db2.gz STWOGAGBXPFSIH-QUCCMNQESA-N 1 0 342.439 3.433 40 0 EGABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC000248140304 455687280 /nfs/dbraw/zinc/68/72/80/455687280.db2.gz TVANRJKGPVDAOX-SZVBFZGTSA-N 1 0 339.439 3.047 40 0 EGABRO OCC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccco1 ZINC000248763054 455729797 /nfs/dbraw/zinc/72/97/97/455729797.db2.gz DWCYDJFNLYTUQD-HAGHYFMRSA-N 1 0 340.467 3.488 40 0 EGABRO C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@H]2[NH2+]CCN ZINC000252462548 455805441 /nfs/dbraw/zinc/80/54/41/455805441.db2.gz UCLYPBSPTCWPOQ-BNNPQOHJSA-N 1 0 334.548 3.307 40 0 biogenic EGABRO CO[C@@H](C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 ZINC000252488333 455810344 /nfs/dbraw/zinc/81/03/44/455810344.db2.gz IPIYFOPSGGSSEO-AEFFLSMTSA-N 1 0 332.488 3.248 40 0 EGABRO C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@@H]2[NH2+]CCO ZINC000252693367 455829135 /nfs/dbraw/zinc/82/91/35/455829135.db2.gz CYTBXDOJKXVHPC-FLFMNZAJSA-N 1 0 335.532 3.341 40 0 biogenic EGABRO Cc1ncc([C@H](C)[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(C)n1 ZINC000253369589 455835247 /nfs/dbraw/zinc/83/52/47/455835247.db2.gz FFPVIBCNUKNKOD-QRTARXTBSA-N 1 0 348.491 3.437 40 0 EGABRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3ccsc3)[C@@H](C)C2)s1 ZINC000253420370 455844625 /nfs/dbraw/zinc/84/46/25/455844625.db2.gz WMAIVLFPQZWZTA-NHYWBVRUSA-N 1 0 335.498 3.153 40 0 EGABRO Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(C)cc3c[nH+]cn32)cn1 ZINC000257260499 455880212 /nfs/dbraw/zinc/88/02/12/455880212.db2.gz LDDVQXQXKXGVMO-KRWDZBQOSA-N 1 0 335.411 3.109 40 0 EGABRO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1 ZINC000257225566 455880679 /nfs/dbraw/zinc/88/06/79/455880679.db2.gz FGTHVTNZGCCVEI-JKSUJKDBSA-N 1 0 343.389 3.292 40 0 EGABRO c1ncc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)s1 ZINC000257280926 455881756 /nfs/dbraw/zinc/88/17/56/455881756.db2.gz OMZFQKBTSHFXFX-OALUTQOASA-N 1 0 344.480 3.483 40 0 EGABRO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3)[N@@H+]2C2CCOCC2)N1 ZINC000257298164 455885116 /nfs/dbraw/zinc/88/51/16/455885116.db2.gz RKKYXUJBQJOREC-QYZOEREBSA-N 1 0 328.456 3.040 40 0 EGABRO Cn1cc(C[NH+]2CCC3(CO[C@@H](Cc4cccc(F)c4)C3)CC2)cn1 ZINC000257306817 455887541 /nfs/dbraw/zinc/88/75/41/455887541.db2.gz SWCBAVKHKYZHLA-IBGZPJMESA-N 1 0 343.446 3.173 40 0 EGABRO COc1ccccc1CNC(=O)c1ncccc1-c1cccc(C[NH3+])c1 ZINC000257322769 455892300 /nfs/dbraw/zinc/89/23/00/455892300.db2.gz WHIJZRDYVBHKFD-UHFFFAOYSA-N 1 0 347.418 3.146 40 0 EGABRO Cn1ccnc1C[N@@H+]1CCC[C@H](Cc2ccnc3ccncc23)CC1 ZINC000257328789 455893084 /nfs/dbraw/zinc/89/30/84/455893084.db2.gz XHDJKPAURAFXMB-INIZCTEOSA-N 1 0 335.455 3.208 40 0 EGABRO c1ncc(C[N@H+]2CCOC[C@H](Cc3ccc4ncccc4c3)C2)s1 ZINC000257336653 455894237 /nfs/dbraw/zinc/89/42/37/455894237.db2.gz YPJQLUGBQMTXMT-MRXNPFEDSA-N 1 0 339.464 3.382 40 0 EGABRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccc(O)c(Cl)c2)[C@@H](C)C1 ZINC000195561491 455985581 /nfs/dbraw/zinc/98/55/81/455985581.db2.gz JPTJRAAMKSHGKH-BBRMVZONSA-N 1 0 338.879 3.167 40 0 EGABRO CCOc1cccc(NC(=S)NCCC[NH+]2CCC(C)CC2)c1 ZINC000225436733 456082870 /nfs/dbraw/zinc/08/28/70/456082870.db2.gz XSNQQCFNDXQRDR-UHFFFAOYSA-N 1 0 335.517 3.494 40 0 EGABRO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)Nc1cccs1 ZINC000225576308 456095049 /nfs/dbraw/zinc/09/50/49/456095049.db2.gz IZVUGEUGPJHFGW-ZDUSSCGKSA-N 1 0 325.503 3.087 40 0 EGABRO COC(=O)C[C@@H](C)c1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000225606162 456097349 /nfs/dbraw/zinc/09/73/49/456097349.db2.gz FEPJOVHBWXYLGD-CQSZACIVSA-N 1 0 344.455 3.166 40 0 EGABRO Cc1c(Cl)cncc1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333315796 456197796 /nfs/dbraw/zinc/19/77/96/456197796.db2.gz MGUABNXXYCNFCI-UHFFFAOYSA-N 1 0 348.878 3.319 40 0 EGABRO OC[C@@]1([NH2+]Cc2cccc3c2OCCCO3)CCCc2ccccc21 ZINC000282318592 456474978 /nfs/dbraw/zinc/47/49/78/456474978.db2.gz KWKBRWPORJUWEX-NRFANRHFSA-N 1 0 339.435 3.162 40 0 EGABRO C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000306144664 456569470 /nfs/dbraw/zinc/56/94/70/456569470.db2.gz ZLKROWIWYVFQCQ-VUNQQRPYSA-N 1 0 336.476 3.167 40 0 EGABRO CC(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(F)c1 ZINC000390833305 457446401 /nfs/dbraw/zinc/44/64/01/457446401.db2.gz FVONJMLCFAIMBO-DJJJIMSYSA-N 1 0 342.414 3.450 40 0 EGABRO CCOc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nc(C)n3)C2)cc1 ZINC000596684516 459728336 /nfs/dbraw/zinc/72/83/36/459728336.db2.gz SOKAVLAGOWESPR-SFHVURJKSA-N 1 0 340.471 3.251 40 0 EGABRO c1cc2n(c1)C[C@H](CCOCC1CC1)C[N@@H+](CC1CCOCC1)C2 ZINC000585095534 459823142 /nfs/dbraw/zinc/82/31/42/459823142.db2.gz VPBZPYMYLNERPP-LJQANCHMSA-N 1 0 332.488 3.163 40 0 EGABRO c1csc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)c1 ZINC000585105542 459825555 /nfs/dbraw/zinc/82/55/55/459825555.db2.gz ZGCSTKHHPRKPCC-HNNXBMFYSA-N 1 0 332.494 3.420 40 0 EGABRO CCc1nc(C)c(C[N@@H+]2CC[C@@H](OC)[C@H](Cc3cccc(F)c3)C2)[nH]1 ZINC000585277823 459832668 /nfs/dbraw/zinc/83/26/68/459832668.db2.gz PTRKSKMJABOEPV-VQIMIIECSA-N 1 0 345.462 3.499 40 0 EGABRO CC(C)[N@@H+]1CCC[C@H]1c1cccc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257212579 535179929 /nfs/dbraw/zinc/17/99/29/535179929.db2.gz CEARBWSZRHKRRK-INIZCTEOSA-N 1 0 345.443 3.133 40 0 EGABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCc2ccco2)c1 ZINC000257245983 536022683 /nfs/dbraw/zinc/02/26/83/536022683.db2.gz IRYRFHMLFFIBGV-UHFFFAOYSA-N 1 0 335.407 3.333 40 0 EGABRO C[C@@H]1CCCC[C@H]1OCC(=O)N(C)C1CCN(c2ccccn2)CC1 ZINC000079040079 546590721 /nfs/dbraw/zinc/59/07/21/546590721.db2.gz ORSHXUHKJATBEK-SJLPKXTDSA-N 1 0 345.487 3.104 40 0 EGABRO CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C[NH3+])cc1 ZINC000218653864 547240396 /nfs/dbraw/zinc/24/03/96/547240396.db2.gz LUHRGBTUYABIJO-KURKYZTESA-N 1 0 349.883 3.417 40 0 EGABRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCCC(F)(F)CC1 ZINC000952852329 1334581468 /nfs/dbraw/zinc/58/14/68/1334581468.db2.gz WRXXUQBNHOQGMB-HNNXBMFYSA-N 1 0 325.403 3.080 40 0 EGABRO CC1(C)[C@H](Cc2cc(C[NH+]3CCCCC3)on2)C[C@@H]1NC(=O)C1CC1 ZINC000067890111 215242675 /nfs/dbraw/zinc/24/26/75/215242675.db2.gz ZSLWGMJSHSGHIQ-QAPCUYQASA-N 1 0 345.487 3.144 40 0 biogenic,in-vitro EGABRO O=C(CCC1CCCC1)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019292251 202002605 /nfs/dbraw/zinc/00/26/05/202002605.db2.gz GAUSDXBAYADSNI-SFHVURJKSA-N 1 0 342.487 3.146 40 0 EGABRO Fc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)c1F ZINC000019292704 202002863 /nfs/dbraw/zinc/00/28/63/202002863.db2.gz UHYGDKINYWFHIB-CQSZACIVSA-N 1 0 342.349 3.399 40 0 EGABRO OCC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)c(Cl)c1 ZINC000019292831 202003096 /nfs/dbraw/zinc/00/30/96/202003096.db2.gz LJMPDSPPBXDVBE-KGLIPLIRSA-N 1 0 329.271 3.024 40 0 EGABRO Clc1cccc(CN2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019293426 202003147 /nfs/dbraw/zinc/00/31/47/202003147.db2.gz JQOZLUHFJJHFAF-KRWDZBQOSA-N 1 0 328.847 3.113 40 0 EGABRO CCC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019499272 202008087 /nfs/dbraw/zinc/00/80/87/202008087.db2.gz ILVYYKLIYYCHFQ-DOTOQJQBSA-N 1 0 344.484 3.018 40 0 EGABRO COc1cccc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCOC2)c1OC ZINC000019567532 202011616 /nfs/dbraw/zinc/01/16/16/202011616.db2.gz NWJGBROQLBFDTN-INIZCTEOSA-N 1 0 342.439 3.138 40 0 EGABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1 ZINC000019554871 202011809 /nfs/dbraw/zinc/01/18/09/202011809.db2.gz REFBQVKHUCRKJG-PMSBKCLSSA-N 1 0 338.451 3.210 40 0 EGABRO Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@H](Cn2ccnc2C)C1 ZINC000019659015 202015597 /nfs/dbraw/zinc/01/55/97/202015597.db2.gz UYJOLYAYVHWBQF-SFHVURJKSA-N 1 0 337.471 3.368 40 0 EGABRO C[C@@]1(C(=O)NC2CCCC2)CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019746696 202017955 /nfs/dbraw/zinc/01/79/55/202017955.db2.gz RPUZRLDQZUDUCU-HXUWFJFHSA-N 1 0 340.471 3.224 40 0 EGABRO CCCc1ncc(C[N@@H+]2CCC[C@@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746664 202018524 /nfs/dbraw/zinc/01/85/24/202018524.db2.gz KGFZTRKJAMLKHN-HXUWFJFHSA-N 1 0 344.503 3.090 40 0 EGABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000020459486 202044450 /nfs/dbraw/zinc/04/44/50/202044450.db2.gz ZPFNVGWCEJISJR-IBGZPJMESA-N 1 0 348.487 3.235 40 0 EGABRO CC(=O)Nc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000039975557 202167254 /nfs/dbraw/zinc/16/72/54/202167254.db2.gz QQKSSDCPMPEKCB-UHFFFAOYSA-N 1 0 331.460 3.029 40 0 EGABRO Cc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000030556203 202197497 /nfs/dbraw/zinc/19/74/97/202197497.db2.gz CZOSKVUSNSASOK-UHFFFAOYSA-N 1 0 338.451 3.286 40 0 EGABRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc[nH]c3=S)CC2)cc1 ZINC000031225358 202203660 /nfs/dbraw/zinc/20/36/60/202203660.db2.gz MQCYKVJDMYQLNX-UHFFFAOYSA-N 1 0 341.480 3.027 40 0 EGABRO Cc1ccc(CC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cn1 ZINC000068385902 202206136 /nfs/dbraw/zinc/20/61/36/202206136.db2.gz VWJHFQLSKMZKJM-INIZCTEOSA-N 1 0 325.456 3.178 40 0 EGABRO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(N(C)C)c2)cc1 ZINC000078552664 202395878 /nfs/dbraw/zinc/39/58/78/202395878.db2.gz COLZQZHRVKOLJY-UHFFFAOYSA-N 1 0 336.439 3.441 40 0 EGABRO Cn1cncc1CCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000192970346 201055860 /nfs/dbraw/zinc/05/58/60/201055860.db2.gz PIZCCVDSKBZHST-UHFFFAOYSA-N 1 0 340.471 3.367 40 0 EGABRO C[C@H](C(=O)Nc1ccccc1F)N1CCC([NH+]2CCCCC2)CC1 ZINC000026439365 212519852 /nfs/dbraw/zinc/51/98/52/212519852.db2.gz BAPFJLSSOWXHAW-OAHLLOKOSA-N 1 0 333.451 3.103 40 0 EGABRO CC[NH+](CC)CCNC(=O)c1ccc(-c2ccc(F)cc2)nc1C ZINC000257173886 201192452 /nfs/dbraw/zinc/19/24/52/201192452.db2.gz ZZNDBOVSXJUWCD-UHFFFAOYSA-N 1 0 329.419 3.268 40 0 EGABRO O=C(CCc1ccccc1)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023128019 212351852 /nfs/dbraw/zinc/35/18/52/212351852.db2.gz PTSJQRUXPIVGBQ-UHFFFAOYSA-N 1 0 326.440 3.241 40 0 EGABRO CCOc1ccc(Br)cc1CNCC[NH+](CC)CC ZINC000022075953 212277222 /nfs/dbraw/zinc/27/72/22/212277222.db2.gz SBJJAEOVMJQFPX-UHFFFAOYSA-N 1 0 329.282 3.279 40 0 EGABRO O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000195555027 241004451 /nfs/dbraw/zinc/00/44/51/241004451.db2.gz GSSSNCUYSNMLCH-HOCLYGCPSA-N 1 0 340.389 3.457 40 0 EGABRO Cc1ccc(CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000195558508 241006228 /nfs/dbraw/zinc/00/62/28/241006228.db2.gz HQVPSDRSBQVOHQ-KRWDZBQOSA-N 1 0 333.476 3.312 40 0 EGABRO Cc1ccnc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000225744364 242015382 /nfs/dbraw/zinc/01/53/82/242015382.db2.gz ZJJFCGMNJAOBEC-UHFFFAOYSA-N 1 0 340.496 3.125 40 0 EGABRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](c2ccccc2C)C2CC2)C1 ZINC000230121482 242232860 /nfs/dbraw/zinc/23/28/60/242232860.db2.gz DKPQSDKITIUUOI-LPHOPBHVSA-N 1 0 329.488 3.429 40 0 EGABRO CCCc1nc(Nc2cccc([C@@H]3C[NH2+]CCO3)n2)sc1CC ZINC000257203948 244126538 /nfs/dbraw/zinc/12/65/38/244126538.db2.gz ASIBOMSAKRVODW-AWEZNQCLSA-N 1 0 332.473 3.458 40 0 EGABRO C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000071953267 203154549 /nfs/dbraw/zinc/15/45/49/203154549.db2.gz RZFWELMXYDSSNH-MRXNPFEDSA-N 1 0 332.463 3.481 40 0 EGABRO Cc1ncsc1C[NH+]1CCC(c2cc(C)n3nccc3n2)CC1 ZINC000257237373 244232593 /nfs/dbraw/zinc/23/25/93/244232593.db2.gz HGEKXDYOUSUAFM-UHFFFAOYSA-N 1 0 327.457 3.182 40 0 EGABRO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072360359 203205565 /nfs/dbraw/zinc/20/55/65/203205565.db2.gz WSDNBXYQZPNLIX-KRWDZBQOSA-N 1 0 339.443 3.240 40 0 EGABRO Cc1nc([C@H]2CCC[NH2+]2)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000257247009 244260511 /nfs/dbraw/zinc/26/05/11/244260511.db2.gz IWYFHYNAALKZEI-QGZVFWFLSA-N 1 0 326.419 3.301 40 0 EGABRO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C)s2)ccn1 ZINC000257268389 244368037 /nfs/dbraw/zinc/36/80/37/244368037.db2.gz MLLYUNGGVTVMKP-GOSISDBHSA-N 1 0 329.469 3.425 40 0 EGABRO O=C(c1ccncc1)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000257262478 244350940 /nfs/dbraw/zinc/35/09/40/244350940.db2.gz LLNPHZGBYGOWKF-UFYCRDLUSA-N 1 0 335.451 3.222 40 0 EGABRO COc1ccc(CN2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1OC ZINC000019369191 212023331 /nfs/dbraw/zinc/02/33/31/212023331.db2.gz KMTUFDDENXAJPK-FUHWJXTLSA-N 1 0 332.488 3.400 40 0 EGABRO C[C@@H]1C[N@H+](Cc2ccsc2)C[C@]12CCN(Cc1cccnc1)C2=O ZINC000096201717 203863249 /nfs/dbraw/zinc/86/32/49/203863249.db2.gz WILRSWCVCPTOAH-DNVCBOLYSA-N 1 0 341.480 3.014 40 0 EGABRO CC(C)(C)OC(=O)N(Cc1ncn2c1C[NH2+]CCC2)C1CCCC1 ZINC000101736245 204021717 /nfs/dbraw/zinc/02/17/17/204021717.db2.gz NDYHISWTIJSWDX-UHFFFAOYSA-N 1 0 334.464 3.056 40 0 EGABRO c1coc(C[N@H+]2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC000107205226 204227829 /nfs/dbraw/zinc/22/78/29/204227829.db2.gz WXVRLDPTPPUGOE-FHWLQOOXSA-N 1 0 328.412 3.013 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4cccnc4)CO3)C2)n1 ZINC000107228382 204228012 /nfs/dbraw/zinc/22/80/12/204228012.db2.gz IPUZESSZBBOFLB-UXHICEINSA-N 1 0 338.455 3.021 40 0 EGABRO Cc1csc(C[NH+]2CCC3(CC(Nc4ncccn4)C3)CC2)n1 ZINC000108525867 204266090 /nfs/dbraw/zinc/26/60/90/204266090.db2.gz IGFKZKBQZXSZCI-UHFFFAOYSA-N 1 0 329.473 3.098 40 0 EGABRO O=C(N[C@@H](c1ccco1)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000045153473 204315078 /nfs/dbraw/zinc/31/50/78/204315078.db2.gz SGVAACHYVQICOE-LJQANCHMSA-N 1 0 339.439 3.295 40 0 EGABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(OC(F)F)cc2)C1 ZINC000048326107 204345868 /nfs/dbraw/zinc/34/58/68/204345868.db2.gz UMLPTEMGZMHTSD-KBPBESRZSA-N 1 0 340.414 3.386 40 0 EGABRO Cc1ccc(O[C@H](C)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000048325627 204346290 /nfs/dbraw/zinc/34/62/90/204346290.db2.gz SQEVYQSXVMMQGW-APWZRJJASA-N 1 0 326.440 3.181 40 0 EGABRO COc1ccc(CCC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000048267438 204344641 /nfs/dbraw/zinc/34/46/41/204344641.db2.gz RHZVEDBZYZVHDE-IAGOWNOFSA-N 1 0 332.488 3.112 40 0 EGABRO O=C(Nc1ccc(F)c(-n2cccc2)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000102716201 206412520 /nfs/dbraw/zinc/41/25/20/206412520.db2.gz HTSPLLAWPXGGSY-INIZCTEOSA-N 1 0 340.402 3.094 40 0 EGABRO O=C(c1cccc(C(F)(F)F)c1)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257320072 296248749 /nfs/dbraw/zinc/24/87/49/296248749.db2.gz VVGGTCPQHOSHRU-DZGCQCFKSA-N 1 0 326.362 3.310 40 0 EGABRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CCOCC1 ZINC000095423359 218365791 /nfs/dbraw/zinc/36/57/91/218365791.db2.gz BMBOARDOHDAIOH-IMJJTQAJSA-N 1 0 326.481 3.085 40 0 EGABRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc(C4CC4)on3)cc21 ZINC000096426912 218798219 /nfs/dbraw/zinc/79/82/19/218798219.db2.gz HXMNGWPJKBSXEU-UHFFFAOYSA-N 1 0 338.411 3.321 40 0 EGABRO Cc1ccc(CNc2cc(C(N)=O)ccc2C[NH+](C)C)cc1Cl ZINC000195447834 266182810 /nfs/dbraw/zinc/18/28/10/266182810.db2.gz QRHJWMJXMMANPQ-UHFFFAOYSA-N 1 0 331.847 3.421 40 0 EGABRO COc1ccccc1C[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC000096209857 274157081 /nfs/dbraw/zinc/15/70/81/274157081.db2.gz KZHBXBIEOYKYHQ-SFHVURJKSA-N 1 0 331.456 3.245 40 0 EGABRO O[C@]1(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CCSC1 ZINC000089704427 275060384 /nfs/dbraw/zinc/06/03/84/275060384.db2.gz CSYUPDLWSIWQFL-OCCSQVGLSA-N 1 0 346.265 3.033 40 0 EGABRO CCN1CC[C@H]([NH2+]Cc2cscn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000245344200 276230229 /nfs/dbraw/zinc/23/02/29/276230229.db2.gz YBFKMSWZFZAQJD-GOEBONIOSA-N 1 0 341.402 3.486 40 0 EGABRO CC(C)c1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000004557870 278039453 /nfs/dbraw/zinc/03/94/53/278039453.db2.gz IIHBXIXVMMVPFO-UHFFFAOYSA-N 1 0 345.487 3.174 40 0 EGABRO CC1(C)CCC[N@@H+]1CCOC(=O)[C@](O)(c1ccccc1)C1CCCC1 ZINC000001648478 278219962 /nfs/dbraw/zinc/21/99/62/278219962.db2.gz OZMLXLPGCQFBKZ-NRFANRHFSA-N 1 0 345.483 3.482 40 0 EGABRO CN(C(=O)Cc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CCC[N@H+](C)C1 ZINC000097097375 323214696 /nfs/dbraw/zinc/21/46/96/323214696.db2.gz NLSULLGZQMZDIC-OAHLLOKOSA-N 1 0 347.459 3.044 40 0 EGABRO Cc1ccccc1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000097099096 323214832 /nfs/dbraw/zinc/21/48/32/323214832.db2.gz ICOVGNWKNAYPJL-UHFFFAOYSA-N 1 0 345.487 3.351 40 0 EGABRO Cc1ccc([C@@H]2[C@@H](C[NH3+])[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000242495135 455271263 /nfs/dbraw/zinc/27/12/63/455271263.db2.gz FVXXPXBGEWPOEA-BRWVUGGUSA-N 1 0 335.856 3.163 40 0 EGABRO CCn1c[n+](C[C@@H](O)COc2c(C)cccc2C)c2ccccc21 ZINC000000316227 452562958 /nfs/dbraw/zinc/56/29/58/452562958.db2.gz DGZLCTVOGVEFIA-QGZVFWFLSA-N 1 0 325.432 3.005 40 0 EGABRO CC[NH+](CC)C[C@H](Cc1ccccc1)OC(=O)c1ccc(N)cc1 ZINC000001672760 452672755 /nfs/dbraw/zinc/67/27/55/452672755.db2.gz BKBCTMDYWMKHSI-IBGZPJMESA-N 1 0 326.440 3.379 40 0 EGABRO C[NH+]1CCC(SC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000001710801 452675363 /nfs/dbraw/zinc/67/53/63/452675363.db2.gz RZZFGCCVPDUMKM-UHFFFAOYSA-N 1 0 341.476 3.277 40 0 EGABRO CCC[NH2+]C[C@H](O)COc1ccsc1C(=O)CCc1ccccc1 ZINC000003851273 452785516 /nfs/dbraw/zinc/78/55/16/452785516.db2.gz QRTLOSXXNXCUKQ-INIZCTEOSA-N 1 0 347.480 3.303 40 0 EGABRO CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000004230595 452796660 /nfs/dbraw/zinc/79/66/60/452796660.db2.gz ZOWORPQERQAKSG-KRWDZBQOSA-N 1 0 331.439 3.290 40 0 EGABRO CCOc1ccc(N2C(=O)C[C@@H]([NH2+][C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000004648932 452809835 /nfs/dbraw/zinc/80/98/35/452809835.db2.gz UYNYFZVAQXLIGE-LBTBCDHLSA-N 1 0 344.455 3.132 40 0 EGABRO O=C(C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1)NC1CCCCC1 ZINC000012113978 453345967 /nfs/dbraw/zinc/34/59/67/453345967.db2.gz IAIWFBFMPPCJCS-UHFFFAOYSA-N 1 0 344.455 3.044 40 0 EGABRO O[C@H](C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000012292416 453353010 /nfs/dbraw/zinc/35/30/10/453353010.db2.gz PUWDTYNUXRVIEL-GOSISDBHSA-N 1 0 349.833 3.496 40 0 EGABRO CC(C)(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCCC3)ccc21 ZINC000012291602 453354352 /nfs/dbraw/zinc/35/43/52/453354352.db2.gz SNCOFFGAPUFHET-GOSISDBHSA-N 1 0 330.472 3.141 40 0 EGABRO COc1ccccc1C[NH+]1CCC(c2nn(C)c3ncccc23)CC1 ZINC000012670240 453391153 /nfs/dbraw/zinc/39/11/53/453391153.db2.gz UTDHDCQZAHCVLQ-UHFFFAOYSA-N 1 0 336.439 3.357 40 0 EGABRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000013613749 453475242 /nfs/dbraw/zinc/47/52/42/453475242.db2.gz ZAGLGYMITDJZFO-ZDUSSCGKSA-N 1 0 326.893 3.423 40 0 EGABRO Cc1ccc(OCCCC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000013672244 453480598 /nfs/dbraw/zinc/48/05/98/453480598.db2.gz XZAJGDMYGCEGQR-UHFFFAOYSA-N 1 0 332.488 3.392 40 0 EGABRO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)[NH+]2CCCC2)o1 ZINC000015860239 453587444 /nfs/dbraw/zinc/58/74/44/453587444.db2.gz UTEODHNBKMUVFZ-GOSISDBHSA-N 1 0 342.439 3.229 40 0 EGABRO Cn1cc([C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000019290386 453655306 /nfs/dbraw/zinc/65/53/06/453655306.db2.gz IYTQGOGZEJHAGQ-OAQYLSRUSA-N 1 0 335.451 3.034 40 0 EGABRO O=C(COc1ccc(-c2ccccc2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000028233486 453822708 /nfs/dbraw/zinc/82/27/08/453822708.db2.gz JXXOAVBUUJIRHP-IBGZPJMESA-N 1 0 336.435 3.039 40 0 EGABRO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)OCO2)c1ccsc1 ZINC000031987636 453860695 /nfs/dbraw/zinc/86/06/95/453860695.db2.gz LXJCIUMXLHRCJA-OAHLLOKOSA-N 1 0 346.452 3.290 40 0 EGABRO Cc1nnc([C@@H](C)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)o1 ZINC000190796653 455384141 /nfs/dbraw/zinc/38/41/41/455384141.db2.gz UQXBQEGIPNKHGY-OAHLLOKOSA-N 1 0 343.475 3.390 40 0 EGABRO CC(C)(C)CC(=O)Nc1nnc(SCC[NH+]2CCCCC2)s1 ZINC000035316096 453923031 /nfs/dbraw/zinc/92/30/31/453923031.db2.gz CHDIUVYPCQXPEE-UHFFFAOYSA-N 1 0 342.534 3.491 40 0 EGABRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(Br)cc1 ZINC000035291733 453923197 /nfs/dbraw/zinc/92/31/97/453923197.db2.gz ZICQGYJXPARIPY-VHRNVKJDSA-N 1 0 349.272 3.337 40 0 EGABRO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3CC(C)(C)C)n2)cn1 ZINC000035426268 453924046 /nfs/dbraw/zinc/92/40/46/453924046.db2.gz XERUHOXLOUNDRH-AWEZNQCLSA-N 1 0 329.448 3.381 40 0 biogenic,in-vitro EGABRO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038832952 453942032 /nfs/dbraw/zinc/94/20/32/453942032.db2.gz MNWQSRWGKHYJHJ-IBGZPJMESA-N 1 0 340.442 3.397 40 0 EGABRO C=Cn1ncc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)c1C ZINC000043568725 454068366 /nfs/dbraw/zinc/06/83/66/454068366.db2.gz LKZRMHKLPWTMBV-SFTDATJTSA-N 1 0 336.483 3.183 40 0 EGABRO COc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000044140413 454089460 /nfs/dbraw/zinc/08/94/60/454089460.db2.gz ZSHBSGJWZPFGLX-HUUCEWRRSA-N 1 0 335.517 3.350 40 0 EGABRO Cc1ncccc1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000095453521 454214641 /nfs/dbraw/zinc/21/46/41/454214641.db2.gz ZBQDCTBHYSBKEZ-UHFFFAOYSA-N 1 0 338.455 3.173 40 0 EGABRO CC(C)(C)OC(=O)N1CC(=O)[C@@]2(C)CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000095951585 454236321 /nfs/dbraw/zinc/23/63/21/454236321.db2.gz NVSYBCWLEHPHQA-JXFKEZNVSA-N 1 0 344.455 3.087 40 0 biogenic EGABRO Cc1ccsc1C[N@@H+]1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096045831 454267701 /nfs/dbraw/zinc/26/77/01/454267701.db2.gz MHEXONKGNOHZNO-MELADBBJSA-N 1 0 331.441 3.279 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)o1 ZINC000096045980 454268443 /nfs/dbraw/zinc/26/84/43/454268443.db2.gz RGOIVBPUJIRGGQ-CWRNSKLLSA-N 1 0 329.400 3.201 40 0 EGABRO c1cc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)cs1 ZINC000096048240 454271567 /nfs/dbraw/zinc/27/15/67/454271567.db2.gz RYGMJMVSWIKWKK-QZTJIDSGSA-N 1 0 330.453 3.346 40 0 EGABRO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@H+](Cc1cccs1)C2 ZINC000096048614 454271601 /nfs/dbraw/zinc/27/16/01/454271601.db2.gz JWHIJUWUPVUJJY-IBGZPJMESA-N 1 0 341.480 3.158 40 0 EGABRO Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccsc2)C3)nn1 ZINC000096048443 454271695 /nfs/dbraw/zinc/27/16/95/454271695.db2.gz XKXNPPZXEKWQKL-FUHWJXTLSA-N 1 0 344.484 3.082 40 0 EGABRO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1cccs1)CC2 ZINC000096051770 454273012 /nfs/dbraw/zinc/27/30/12/454273012.db2.gz FZPDXWQUJUYSKP-OAHLLOKOSA-N 1 0 336.501 3.100 40 0 EGABRO Cn1cc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)cn1 ZINC000096051102 454273114 /nfs/dbraw/zinc/27/31/14/454273114.db2.gz BEQUKDFONJKZBW-SFHVURJKSA-N 1 0 346.425 3.158 40 0 EGABRO c1coc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC000096057056 454274031 /nfs/dbraw/zinc/27/40/31/454274031.db2.gz BUNNGOZKQABPMI-IEBWSBKVSA-N 1 0 328.412 3.125 40 0 EGABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]21 ZINC000096058328 454277065 /nfs/dbraw/zinc/27/70/65/454277065.db2.gz GIKCZJPDPYUMAW-UFYCRDLUSA-N 1 0 335.451 3.332 40 0 EGABRO CN1C(=O)C[C@H](c2ccncc2)C12CC[NH+](Cc1cccs1)CC2 ZINC000096199975 454303135 /nfs/dbraw/zinc/30/31/35/454303135.db2.gz IMGIYBXMGNBAEF-QGZVFWFLSA-N 1 0 341.480 3.124 40 0 EGABRO CCOC[C@@H]1CCC2(CCN(C(=O)/C=C/c3cccs3)CC2)[N@@H+]1C ZINC000096207881 454304285 /nfs/dbraw/zinc/30/42/85/454304285.db2.gz CXGDFZIGSPOVFP-MOEXGYKKSA-N 1 0 348.512 3.253 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)o1 ZINC000096206110 454304664 /nfs/dbraw/zinc/30/46/64/454304664.db2.gz DQHABEKVKMDZCP-QUCCMNQESA-N 1 0 341.455 3.466 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)o1 ZINC000096208546 454305729 /nfs/dbraw/zinc/30/57/29/454305729.db2.gz KXEZBGISYPFPTD-UXHICEINSA-N 1 0 349.471 3.155 40 0 EGABRO COc1ccc(CN2C(=O)CCC23CC[NH+](CC2CC2)CC3)cc1 ZINC000096228282 454309380 /nfs/dbraw/zinc/30/93/80/454309380.db2.gz DQMWOOTXQZUYKC-UHFFFAOYSA-N 1 0 328.456 3.062 40 0 EGABRO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000096245499 454311577 /nfs/dbraw/zinc/31/15/77/454311577.db2.gz CCKWABDQABBHND-OKILXGFUSA-N 1 0 347.871 3.001 40 0 EGABRO C[NH+](C)[C@H](CNC(=O)Nc1cccs1)c1ccc2c(c1)CCO2 ZINC000090607305 454327670 /nfs/dbraw/zinc/32/76/70/454327670.db2.gz JCZNOUCREXWTED-CQSZACIVSA-N 1 0 331.441 3.107 40 0 EGABRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc([S@@](C)=O)cc1 ZINC000090666686 454334155 /nfs/dbraw/zinc/33/41/55/454334155.db2.gz JDZSPHJFZJFCBR-WYVULQQZSA-N 1 0 345.390 3.027 40 0 EGABRO C[N@H+](CCOC[C@H]1CCCO1)[C@@H](c1ccccc1)c1ccccn1 ZINC000096421123 454336470 /nfs/dbraw/zinc/33/64/70/454336470.db2.gz NFDUSHVADZQGKA-QUCCMNQESA-N 1 0 326.440 3.298 40 0 EGABRO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000096483952 454366233 /nfs/dbraw/zinc/36/62/33/454366233.db2.gz UTYYPJLIVHIFAN-GFCCVEGCSA-N 1 0 334.769 3.459 40 0 EGABRO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1Oc1ccncc1 ZINC000079361764 454402236 /nfs/dbraw/zinc/40/22/36/454402236.db2.gz HONKKXNBSCADNX-MRXNPFEDSA-N 1 0 339.439 3.206 40 0 EGABRO CC(C)OC(=O)N1CCC([NH2+][C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000097103766 454407138 /nfs/dbraw/zinc/40/71/38/454407138.db2.gz IPHFESHKKANYAS-KRWDZBQOSA-N 1 0 342.443 3.098 40 0 EGABRO CC(C)[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000091280669 454421587 /nfs/dbraw/zinc/42/15/87/454421587.db2.gz CVYZCHWOIQXLQD-SWLSCSKDSA-N 1 0 349.418 3.427 40 0 EGABRO C[NH2+]Cc1ccc(CNC(=O)Cc2cccc(Br)c2)cc1 ZINC000097229011 454427027 /nfs/dbraw/zinc/42/70/27/454427027.db2.gz GNXVGXLYHKUZEZ-UHFFFAOYSA-N 1 0 347.256 3.027 40 0 EGABRO CC[NH2+]CC1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000097229009 454427488 /nfs/dbraw/zinc/42/74/88/454427488.db2.gz CTCBIBJQLNNULX-UHFFFAOYSA-N 1 0 328.378 3.096 40 0 EGABRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccc(O)c(Cl)c2)[C@H](C)C1 ZINC000097374633 454434675 /nfs/dbraw/zinc/43/46/75/454434675.db2.gz JPTJRAAMKSHGKH-CJNGLKHVSA-N 1 0 338.879 3.167 40 0 EGABRO CC(=O)NC1CCC([NH2+][C@@H]2CCCN(c3cc(C)ccc3F)C2)CC1 ZINC000097379318 454435632 /nfs/dbraw/zinc/43/56/32/454435632.db2.gz CGKVVTAGTVZSJB-DAWZGUTISA-N 1 0 347.478 3.140 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000065286856 454549654 /nfs/dbraw/zinc/54/96/54/454549654.db2.gz VDOLYRAUYWEUNQ-MRXNPFEDSA-N 1 0 337.427 3.456 40 0 EGABRO OCc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000093840962 454740140 /nfs/dbraw/zinc/74/01/40/454740140.db2.gz QUZJWTGOXNJOEX-CYBMUJFWSA-N 1 0 332.469 3.487 40 0 EGABRO C[C@@H]([NH2+]Cc1ccnc(N2CCO[C@@H](C)C2)c1)c1cccc(F)c1 ZINC000110688720 454851319 /nfs/dbraw/zinc/85/13/19/454851319.db2.gz WAWFYCZEFQWQGU-LSDHHAIUSA-N 1 0 329.419 3.297 40 0 EGABRO Cn1ccnc1[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000180642140 455216324 /nfs/dbraw/zinc/21/63/24/455216324.db2.gz FNSNBNVMNHCBNB-YOEHRIQHSA-N 1 0 332.879 3.094 40 0 EGABRO CO[C@@H](C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 ZINC000252491257 455812455 /nfs/dbraw/zinc/81/24/55/455812455.db2.gz LJVKCLCTHLTMOT-APWZRJJASA-N 1 0 332.488 3.247 40 0 EGABRO COC[C@H](C)C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000187091060 455869690 /nfs/dbraw/zinc/86/96/90/455869690.db2.gz PFHMTVSESNIZMK-CQSZACIVSA-N 1 0 339.867 3.162 40 0 EGABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)CC3CC3)CC2)nn1C ZINC000257255089 455880931 /nfs/dbraw/zinc/88/09/31/455880931.db2.gz KGBFWTIIBYVIQU-IYARVYRRSA-N 1 0 346.519 3.014 40 0 EGABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCCc2ccc(F)cc2)c1 ZINC000257298304 455885077 /nfs/dbraw/zinc/88/50/77/455885077.db2.gz RLDCGFHXPLPLDH-UHFFFAOYSA-N 1 0 349.409 3.319 40 0 EGABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1cccc(F)c1 ZINC000257296529 455885230 /nfs/dbraw/zinc/88/52/30/455885230.db2.gz RDFCXJXGVMJYJG-ZNWBIBPKSA-N 1 0 346.446 3.068 40 0 EGABRO Cc1cnc(C[N@@H+]2CCC[C@@H](Cc3nccn4cccc34)CC2)cn1 ZINC000257305672 455888114 /nfs/dbraw/zinc/88/81/14/455888114.db2.gz SQZJDPATBCEQGN-QGZVFWFLSA-N 1 0 335.455 3.278 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@@H](Cc3cnc(-c4ncc[nH]4)cn3)C2)n1 ZINC000257311696 455889127 /nfs/dbraw/zinc/88/91/27/455889127.db2.gz UKQRHTJNYNXITD-INIZCTEOSA-N 1 0 348.454 3.025 40 0 EGABRO O=C(c1cscn1)N1[C@H](c2ccccc2)C[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257313250 455889606 /nfs/dbraw/zinc/88/96/06/455889606.db2.gz UROBAPQSPRZEBT-PVAVHDDUSA-N 1 0 327.453 3.241 40 0 EGABRO CCC(=O)N1CC[C@@H](c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)C1 ZINC000257338670 455895740 /nfs/dbraw/zinc/89/57/40/455895740.db2.gz YYKSROBCPUSFTK-CYBMUJFWSA-N 1 0 328.391 3.394 40 0 EGABRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)C12CCC2 ZINC000194999140 455910535 /nfs/dbraw/zinc/91/05/35/455910535.db2.gz VLRCQTVAWCBNTM-HZMVEIRTSA-N 1 0 333.476 3.060 40 0 EGABRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccco1 ZINC000195552395 455984327 /nfs/dbraw/zinc/98/43/27/455984327.db2.gz NFZAZTFUNYIKFF-GOEBONIOSA-N 1 0 327.428 3.150 40 0 EGABRO Cc1ccc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)c(C)c1 ZINC000225212594 456075175 /nfs/dbraw/zinc/07/51/75/456075175.db2.gz IKFSXDSFSUVMOO-UHFFFAOYSA-N 1 0 347.528 3.233 40 0 EGABRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000237235471 456251242 /nfs/dbraw/zinc/25/12/42/456251242.db2.gz MAFSMOUWOIRPGL-CYBMUJFWSA-N 1 0 349.887 3.216 40 0 EGABRO c1ccc(Nc2ncc3c(n2)[C@@]2(CC[N@@H+](CC4CC4)C2)COC3)cc1 ZINC000306138328 456568018 /nfs/dbraw/zinc/56/80/18/456568018.db2.gz RUYRGWSEYQBUAL-HXUWFJFHSA-N 1 0 336.439 3.104 40 0 EGABRO CC(C)CC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000514289790 458797882 /nfs/dbraw/zinc/79/78/82/458797882.db2.gz FQNWAVSCXZUJKW-IRFCIJBXSA-N 1 0 344.499 3.125 40 0 biogenic,in-vitro EGABRO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@@H+](CC(C)C)CC2 ZINC000585099897 459823034 /nfs/dbraw/zinc/82/30/34/459823034.db2.gz VUWBKJXPRFLPTC-IBGZPJMESA-N 1 0 333.476 3.295 40 0 EGABRO c1nc(Nc2cncc([C@H]3CCC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585263293 459832201 /nfs/dbraw/zinc/83/22/01/459832201.db2.gz VCIRNAJRRMXVPR-AWEZNQCLSA-N 1 0 337.452 3.233 40 0 EGABRO CCOCCOc1ccc(C[N@H+](C)C[C@H](O)c2ccccc2)cc1 ZINC000585269621 459832221 /nfs/dbraw/zinc/83/22/21/459832221.db2.gz CNBIIDWSNSSUHO-FQEVSTJZSA-N 1 0 329.440 3.267 40 0 EGABRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)[C@H](CO)[C@@H]1O ZINC000585295170 459834166 /nfs/dbraw/zinc/83/41/66/459834166.db2.gz OGCFHJOVENGGIQ-ATZDWAIDSA-N 1 0 349.833 3.109 40 0 EGABRO Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc([S@](C)=O)cc3)nc12 ZINC000097228476 546691792 /nfs/dbraw/zinc/69/17/92/546691792.db2.gz CDRGUKVXCWQGQR-OYLFLEFRSA-N 1 0 341.480 3.273 40 0 EGABRO CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000222943213 547245237 /nfs/dbraw/zinc/24/52/37/547245237.db2.gz XUFAHYYSOSUJGF-GOSISDBHSA-N 1 0 332.488 3.352 40 0 EGABRO Cc1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000224094366 547246501 /nfs/dbraw/zinc/24/65/01/547246501.db2.gz WNGINHPPOIWLCD-UHFFFAOYSA-N 1 0 338.451 3.400 40 0 EGABRO Clc1cnc(C2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)nc1 ZINC000585090371 564133972 /nfs/dbraw/zinc/13/39/72/564133972.db2.gz GPMCZYYEMIXJII-UHFFFAOYSA-N 1 0 327.819 3.386 40 0 EGABRO [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000261548990 1296594629 /nfs/dbraw/zinc/59/46/29/1296594629.db2.gz KCAMYHCPOHIDDV-SFHVURJKSA-N 1 0 326.444 3.168 40 0 EGABRO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000008326333 201745371 /nfs/dbraw/zinc/74/53/71/201745371.db2.gz UCUXXHDULSHQRV-SFHVURJKSA-N 1 0 329.440 3.443 40 0 EGABRO COc1ccc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCCC2)cc1C ZINC000012360939 201841880 /nfs/dbraw/zinc/84/18/80/201841880.db2.gz VPPNQPSGQIFGNA-LJQANCHMSA-N 1 0 344.499 3.413 40 0 EGABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000013670468 201906774 /nfs/dbraw/zinc/90/67/74/201906774.db2.gz PFLXFMOOKKUYPB-UHFFFAOYSA-N 1 0 329.488 3.283 40 0 EGABRO Cc1nc([C@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)cc(=O)[nH]1 ZINC000019285221 202002073 /nfs/dbraw/zinc/00/20/73/202002073.db2.gz NPLGFLKLKSMENZ-LBPRGKRZSA-N 1 0 338.238 3.375 40 0 EGABRO OCC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1Cl ZINC000019292605 202002856 /nfs/dbraw/zinc/00/28/56/202002856.db2.gz RMKVILGTPGRSHW-KGLIPLIRSA-N 1 0 329.271 3.024 40 0 EGABRO CCCn1ncc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CCSC)c1C ZINC000019525958 202010024 /nfs/dbraw/zinc/01/00/24/202010024.db2.gz JGPRZYUHPUAYDD-ROUUACIJSA-N 1 0 336.549 3.003 40 0 EGABRO COCc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020903611 202058864 /nfs/dbraw/zinc/05/88/64/202058864.db2.gz NRESBLZKKLKCFM-UHFFFAOYSA-N 1 0 338.451 3.227 40 0 EGABRO O=C(Cc1cccs1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023016873 202096479 /nfs/dbraw/zinc/09/64/79/202096479.db2.gz XPPHFZLITWOROP-UHFFFAOYSA-N 1 0 334.510 3.381 40 0 EGABRO C[C@@H](CNC(=O)c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000040108048 202169507 /nfs/dbraw/zinc/16/95/07/202169507.db2.gz LLAZDTFCIPMRPW-STQMWFEESA-N 1 0 339.277 3.299 40 0 EGABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000030756708 202198167 /nfs/dbraw/zinc/19/81/67/202198167.db2.gz PPINEJUOMHTWRD-LJQANCHMSA-N 1 0 348.487 3.091 40 0 EGABRO C[C@@H]1C[C@@H](OC[C@@H](O)C[N@H+](CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000033526502 202267228 /nfs/dbraw/zinc/26/72/28/202267228.db2.gz FKQLTXLKHRPMII-YZGWKJHDSA-N 1 0 349.515 3.073 40 0 EGABRO C[NH+](C)CC[C@@](O)(c1ccc(Br)cc1)c1cccnc1 ZINC000035636649 202308703 /nfs/dbraw/zinc/30/87/03/202308703.db2.gz YAYXSVOPNBARLP-MRXNPFEDSA-N 1 0 335.245 3.032 40 0 in-vitro EGABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000036740314 202330971 /nfs/dbraw/zinc/33/09/71/202330971.db2.gz MCPJTLFFMSPFAC-UHFFFAOYSA-N 1 0 336.439 3.379 40 0 EGABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1Br ZINC000072324572 202364252 /nfs/dbraw/zinc/36/42/52/202364252.db2.gz FHEYWCHCHCCOSJ-JSGCOSHPSA-N 1 0 339.277 3.126 40 0 EGABRO Cn1cc(C[NH2+]Cc2cccc(OC(F)F)c2)c(-c2ccncc2)n1 ZINC000078553453 202396641 /nfs/dbraw/zinc/39/66/41/202396641.db2.gz JVOJRZJHPNSDGB-UHFFFAOYSA-N 1 0 344.365 3.373 40 0 EGABRO Cc1ncsc1-c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000273820613 201263851 /nfs/dbraw/zinc/26/38/51/201263851.db2.gz JANWXYFNULKILW-UHFFFAOYSA-N 1 0 330.413 3.109 40 0 EGABRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccn1 ZINC000191643529 239231100 /nfs/dbraw/zinc/23/11/00/239231100.db2.gz XCBWYKNMOMYUPM-UGSOOPFHSA-N 1 0 345.393 3.202 40 0 EGABRO CCOc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1 ZINC000229897556 242212443 /nfs/dbraw/zinc/21/24/43/242212443.db2.gz UYNYFZVAQXLIGE-NONVJHHQSA-N 1 0 344.455 3.132 40 0 EGABRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)C2 ZINC000090964710 203073178 /nfs/dbraw/zinc/07/31/78/203073178.db2.gz HXGJAMMDBMOKFQ-UGSOOPFHSA-N 1 0 340.423 3.308 40 0 EGABRO C[C@@H](CC[NH2+][C@H]1CCc2c1cccc2Br)[S@](C)=O ZINC000091398855 203074872 /nfs/dbraw/zinc/07/48/72/203074872.db2.gz LACQNTZIRDSNLO-MWJQBAMBSA-N 1 0 330.291 3.183 40 0 EGABRO c1cc2nccc(C[C@H]3CCC[N@@H+](C4CCOCC4)CC3)c2cn1 ZINC000257217401 244171991 /nfs/dbraw/zinc/17/19/91/244171991.db2.gz CYTVVHVSVABXRD-INIZCTEOSA-N 1 0 325.456 3.453 40 0 EGABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000257232588 244217368 /nfs/dbraw/zinc/21/73/68/244217368.db2.gz GLNRARLZERELAN-LJQANCHMSA-N 1 0 327.403 3.194 40 0 EGABRO NC(=O)c1csc(C[N@@H+]2CCC[C@H](COc3ccccc3)C2)c1 ZINC000093364784 203185802 /nfs/dbraw/zinc/18/58/02/203185802.db2.gz ANHHOUVGIAVLBT-AWEZNQCLSA-N 1 0 330.453 3.138 40 0 EGABRO Cc1ccc(NC(=O)CCc2cc(C)nc([C@@H]3CCC[N@H+]3C)c2)nc1 ZINC000072366963 203207620 /nfs/dbraw/zinc/20/76/20/203207620.db2.gz FERHRFVVGXQOCE-SFHVURJKSA-N 1 0 338.455 3.431 40 0 EGABRO c1ccc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccncc2)CC3)cc1 ZINC000096047864 203806907 /nfs/dbraw/zinc/80/69/07/203806907.db2.gz WCNCXCIGHKHGDJ-HXUWFJFHSA-N 1 0 338.451 3.422 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)co1 ZINC000107205233 204227491 /nfs/dbraw/zinc/22/74/91/204227491.db2.gz XBMFUVGVUYIUCW-FHWLQOOXSA-N 1 0 328.412 3.013 40 0 EGABRO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000107249341 204229855 /nfs/dbraw/zinc/22/98/55/204229855.db2.gz AFNXCDIAIYIGBI-IEBWSBKVSA-N 1 0 340.854 3.225 40 0 EGABRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1Br ZINC000046860127 204336713 /nfs/dbraw/zinc/33/67/13/204336713.db2.gz BWJBHJFQIAKTLM-GFCCVEGCSA-N 1 0 325.250 3.053 40 0 EGABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1F ZINC000049169659 204369951 /nfs/dbraw/zinc/36/99/51/204369951.db2.gz CLAZCMLDPWDIOM-AWEZNQCLSA-N 1 0 342.349 3.399 40 0 biogenic,in-vitro EGABRO COc1ccc(CCC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048267436 204342951 /nfs/dbraw/zinc/34/29/51/204342951.db2.gz RHZVEDBZYZVHDE-CALCHBBNSA-N 1 0 332.488 3.112 40 0 EGABRO CC[NH+]1CCC(NC(=O)/C=C/c2ccc3cc(OC)ccc3c2)CC1 ZINC000007964254 205839359 /nfs/dbraw/zinc/83/93/59/205839359.db2.gz ICBWUKLVZOFBOF-WEVVVXLNSA-N 1 0 338.451 3.462 40 0 EGABRO C/C1=C\[C@@H](O)[C@@H]2[C@@H](C[NH+]3CCCCC3)C(=O)O[C@H]2C/C(C)=C\CC1 ZINC000105364737 206505383 /nfs/dbraw/zinc/50/53/83/206505383.db2.gz PBRLWNMMGXHHMD-MXFKLBGBSA-N 1 0 333.472 3.068 40 0 EGABRO CCc1onc(C)c1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000119282794 221284825 /nfs/dbraw/zinc/28/48/25/221284825.db2.gz YUHVTNHFIVRUPX-BBRMVZONSA-N 1 0 342.443 3.187 40 0 EGABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccco2)cc1 ZINC000000568289 257869837 /nfs/dbraw/zinc/86/98/37/257869837.db2.gz NNKAAARKNWUDIS-UHFFFAOYSA-N 1 0 331.441 3.248 40 0 EGABRO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4ccc(Cl)cc4)C[C@@H]32)N=C1C ZINC000096261444 276148279 /nfs/dbraw/zinc/14/82/79/276148279.db2.gz CWSDQKYMKNUMHY-HHXXYDBFSA-N 1 0 345.874 3.201 40 0 EGABRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCOC2)cc1 ZINC000288457626 276216115 /nfs/dbraw/zinc/21/61/15/276216115.db2.gz GDCGCTFJYQPEFK-QFBILLFUSA-N 1 0 345.487 3.039 40 0 EGABRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2nccs2)[C@@H]1c1cccs1 ZINC000096433655 277073791 /nfs/dbraw/zinc/07/37/91/277073791.db2.gz AKUGBXNTCMXDRE-DGCLKSJQSA-N 1 0 336.486 3.409 40 0 EGABRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCc2cc(Cl)ccc2C1 ZINC000190725828 279825814 /nfs/dbraw/zinc/82/58/14/279825814.db2.gz VPFMKQSJFKLBKJ-UHFFFAOYSA-N 1 0 333.863 3.035 40 0 EGABRO FC(F)(F)CN1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000095420506 294666655 /nfs/dbraw/zinc/66/66/55/294666655.db2.gz MQLCPHAJWPPLML-DZGCQCFKSA-N 1 0 328.378 3.374 40 0 EGABRO Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CC[C@H]2[NH2+]CCCC[C@H]21 ZINC000257287076 300892051 /nfs/dbraw/zinc/89/20/51/300892051.db2.gz POJNAMOJFIADGN-RTBURBONSA-N 1 0 325.456 3.070 40 0 EGABRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157291917 323222495 /nfs/dbraw/zinc/22/24/95/323222495.db2.gz ZZNZEUUZHXAIND-CQSZACIVSA-N 1 0 339.501 3.339 40 0 EGABRO COc1cccc([C@H](C)N2CCN(C(=O)Nc3ccccn3)CC2)c1 ZINC000240569369 455264607 /nfs/dbraw/zinc/26/46/07/455264607.db2.gz HAAOBVIWYISPBJ-HNNXBMFYSA-N 1 0 340.427 3.001 40 0 EGABRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccc(NC(C)=O)cc2)cc1 ZINC000241634648 455268799 /nfs/dbraw/zinc/26/87/99/455268799.db2.gz PNZXJAITYWQFHQ-HXUWFJFHSA-N 1 0 341.455 3.046 40 0 EGABRO COc1ccc([C@H]2CC(c3cc(OC)cc(OC)c3)=NC(=[NH2+])N2)cc1 ZINC000000031979 452493651 /nfs/dbraw/zinc/49/36/51/452493651.db2.gz CASYWRALUHNWMQ-QGZVFWFLSA-N 1 0 339.395 3.171 40 0 EGABRO CCn1c[n+](C[C@H](O)COc2c(C)cccc2C)c2ccccc21 ZINC000000316225 452562132 /nfs/dbraw/zinc/56/21/32/452562132.db2.gz DGZLCTVOGVEFIA-KRWDZBQOSA-N 1 0 325.432 3.005 40 0 EGABRO C[C@H]1CCCC[N@@H+]1CCCNc1c(C=O)c(=O)[nH]c2ccccc21 ZINC000006681838 452970040 /nfs/dbraw/zinc/97/00/40/452970040.db2.gz JEYRGHGYBAVUFD-AWEZNQCLSA-N 1 0 327.428 3.429 40 0 EGABRO COc1cccc(C[NH2+]C(C)(C)CO)c1OCc1ccc(F)cc1 ZINC000006883179 453004086 /nfs/dbraw/zinc/00/40/86/453004086.db2.gz XOSUEPOUWBEXKW-UHFFFAOYSA-N 1 0 333.403 3.274 40 0 EGABRO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000008326336 453191843 /nfs/dbraw/zinc/19/18/43/453191843.db2.gz RWIFJXVKENNAHD-KRWDZBQOSA-N 1 0 333.403 3.274 40 0 EGABRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(OC(F)(F)F)cc2)N1 ZINC000009476879 453253813 /nfs/dbraw/zinc/25/38/13/453253813.db2.gz ZWTMZLDNNGDFEZ-CYBMUJFWSA-N 1 0 347.300 3.031 40 0 EGABRO COc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc(C)on2)c1 ZINC000009980193 453268860 /nfs/dbraw/zinc/26/88/60/453268860.db2.gz HOOAKZSKMXCEGQ-INIZCTEOSA-N 1 0 329.400 3.157 40 0 EGABRO Cc1nn2c(nc(C)c(C)c2NCC[NH+](C)C)c1-c1ccc(F)cc1 ZINC000012113349 453345636 /nfs/dbraw/zinc/34/56/36/453345636.db2.gz CHKKGXLZRTXOEP-UHFFFAOYSA-N 1 0 341.434 3.434 40 0 EGABRO Cc1nc(-c2ccc(C)c(C)c2)c(CC(=O)N(C)CC[NH+](C)C)s1 ZINC000012238218 453352524 /nfs/dbraw/zinc/35/25/24/453352524.db2.gz MSDRPIGLHRTPDT-UHFFFAOYSA-N 1 0 345.512 3.298 40 0 EGABRO CCCCn1nc2nc(N3CCC([NH3+])CC3)cc(C(F)F)c2c1C ZINC000012398919 453359377 /nfs/dbraw/zinc/35/93/77/453359377.db2.gz NSROFIVQIOABQC-UHFFFAOYSA-N 1 0 337.418 3.405 40 0 EGABRO Clc1ccc2c(c1)ncc(Br)c2N1CC[NH2+]CC1 ZINC000019721430 453658949 /nfs/dbraw/zinc/65/89/49/453658949.db2.gz AQBYHSYPQIEKHI-UHFFFAOYSA-N 1 0 326.625 3.060 40 0 EGABRO C[N@@H+]1CCCC[C@@H]1C1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000019746572 453659803 /nfs/dbraw/zinc/65/98/03/453659803.db2.gz DLSKXDZYAPGJJG-QGZVFWFLSA-N 1 0 344.484 3.028 40 0 EGABRO O=C(N=c1[nH]c2ccccc2n1CC[NH+]1CCCCC1)C1CCCC1 ZINC000032610697 453879842 /nfs/dbraw/zinc/87/98/42/453879842.db2.gz KVXPPOSZGFHNTG-UHFFFAOYSA-N 1 0 340.471 3.073 40 0 EGABRO CC(C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000032804189 453892015 /nfs/dbraw/zinc/89/20/15/453892015.db2.gz VYNIXJQCRKRUKK-ZDUSSCGKSA-N 1 0 343.393 3.058 40 0 EGABRO COc1ccc(C(=O)[C@@H]2SC(=[NH2+])N[C@H]2c2ccc(OC)cc2)cc1 ZINC000033665193 453916606 /nfs/dbraw/zinc/91/66/06/453916606.db2.gz LRNIPQIMNMMAAB-DOTOQJQBSA-N 1 0 342.420 3.058 40 0 EGABRO CC[NH+]1CCN(c2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 ZINC000036618561 453928755 /nfs/dbraw/zinc/92/87/55/453928755.db2.gz WDKAQPKNXPRKFS-UHFFFAOYSA-N 1 0 336.361 3.304 40 0 EGABRO O=C(NCc1ccon1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000083226902 453945042 /nfs/dbraw/zinc/94/50/42/453945042.db2.gz MXFLEQXWNCMPCI-UHFFFAOYSA-N 1 0 342.443 3.050 40 0 EGABRO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102858 453962451 /nfs/dbraw/zinc/96/24/51/453962451.db2.gz ATSXHLWICJVRTQ-HNAYVOBHSA-N 1 0 330.472 3.267 40 0 EGABRO C[NH+](C)CCCN(Cc1ccco1)Cc1cccn1-c1ccccn1 ZINC000057810893 454148192 /nfs/dbraw/zinc/14/81/92/454148192.db2.gz OABKYAZHEDOECO-UHFFFAOYSA-N 1 0 338.455 3.419 40 0 EGABRO CC[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cc(F)ccc1F ZINC000077873293 454164891 /nfs/dbraw/zinc/16/48/91/454164891.db2.gz XESIRCUUUJEKJY-YOEHRIQHSA-N 1 0 337.414 3.296 40 0 EGABRO CCn1c2ccccc2nc1[C@@H](C)[NH2+]CCC(=O)N1CCC[C@@H]1C ZINC000119403482 454192879 /nfs/dbraw/zinc/19/28/79/454192879.db2.gz VFKZVTPFEINILY-LSDHHAIUSA-N 1 0 328.460 3.108 40 0 EGABRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C)cn2)cc1F ZINC000095422400 454208282 /nfs/dbraw/zinc/20/82/82/454208282.db2.gz IZAMHXVHTVBOQL-ZDUSSCGKSA-N 1 0 331.391 3.217 40 0 EGABRO Cc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000119680720 454213674 /nfs/dbraw/zinc/21/36/74/454213674.db2.gz PKUJKIBEIOCUHU-KRWDZBQOSA-N 1 0 343.496 3.022 40 0 EGABRO O[C@H](CNc1nc2ccccc2s1)C[N@@H+]1CCc2ccccc2C1 ZINC000046479053 454254788 /nfs/dbraw/zinc/25/47/88/454254788.db2.gz OANALHLMQZYHST-MRXNPFEDSA-N 1 0 339.464 3.127 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)o1 ZINC000096038670 454265248 /nfs/dbraw/zinc/26/52/48/454265248.db2.gz AJWAMYVIGCIZGV-AABGKKOBSA-N 1 0 349.471 3.153 40 0 EGABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)co1 ZINC000096040089 454266971 /nfs/dbraw/zinc/26/69/71/454266971.db2.gz CNHUYGNMIJEEPX-WOJBJXKFSA-N 1 0 342.439 3.263 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)co1 ZINC000096040090 454266991 /nfs/dbraw/zinc/26/69/91/454266991.db2.gz CNHUYGNMIJEEPX-PMACEKPBSA-N 1 0 342.439 3.263 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)co1 ZINC000096039979 454267197 /nfs/dbraw/zinc/26/71/97/454267197.db2.gz OAFDTTLQWVUFQE-RBUKOAKNSA-N 1 0 328.412 3.125 40 0 EGABRO O=C1COC2(CC[NH+](Cc3ccsc3)CC2)CN1c1ccccc1 ZINC000096049228 454271000 /nfs/dbraw/zinc/27/10/00/454271000.db2.gz LRHGTTPBMTUNTN-UHFFFAOYSA-N 1 0 342.464 3.146 40 0 EGABRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@H+](Cc1cccs1)C2 ZINC000096048651 454271920 /nfs/dbraw/zinc/27/19/20/454271920.db2.gz DLWKXQMBKZAGIY-LJQANCHMSA-N 1 0 341.480 3.158 40 0 EGABRO CC(C)OCCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060206053 454273222 /nfs/dbraw/zinc/27/32/22/454273222.db2.gz CUGFQZAWPLJHEC-UHFFFAOYSA-N 1 0 332.488 3.494 40 0 EGABRO c1coc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC000096057058 454275334 /nfs/dbraw/zinc/27/53/34/454275334.db2.gz BUNNGOZKQABPMI-PKOBYXMFSA-N 1 0 328.412 3.125 40 0 EGABRO c1coc(C[NH+]2CCC3(CO[C@H](COc4cccnc4)C3)CC2)c1 ZINC000096106078 454283729 /nfs/dbraw/zinc/28/37/29/454283729.db2.gz PZRWLNNODAXTID-SFHVURJKSA-N 1 0 328.412 3.125 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2OC)cc1 ZINC000096110551 454286740 /nfs/dbraw/zinc/28/67/40/454286740.db2.gz HNOUKBKHHYFUOK-ICSRJNTNSA-N 1 0 326.440 3.170 40 0 EGABRO CN(Cc1ccccn1)[C@H]1CCC[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096183045 454298493 /nfs/dbraw/zinc/29/84/93/454298493.db2.gz OQPMANAZTODYKP-GIVPXCGWSA-N 1 0 336.483 3.209 40 0 EGABRO Cc1ncc([C@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)s1 ZINC000090401224 454300801 /nfs/dbraw/zinc/30/08/01/454300801.db2.gz SCDANNFCYZSZIO-YOEHRIQHSA-N 1 0 331.485 3.176 40 0 EGABRO COCCO[C@H]1CC[N@H+](Cc2c(C)noc2C)[C@H]1Cc1ccccc1 ZINC000096200409 454301961 /nfs/dbraw/zinc/30/19/61/454301961.db2.gz RQBUQQAKKIIQOF-PMACEKPBSA-N 1 0 344.455 3.140 40 0 EGABRO CN1CC[C@]2(C[N@H+](Cc3cccs3)C[C@H]2c2ccccc2)C1=O ZINC000096201839 454302697 /nfs/dbraw/zinc/30/26/97/454302697.db2.gz CFTJMQJELNHXNW-PKOBYXMFSA-N 1 0 326.465 3.196 40 0 EGABRO Cc1nc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cs1 ZINC000096215372 454305429 /nfs/dbraw/zinc/30/54/29/454305429.db2.gz CLJIUHRXPSPPCS-IBGZPJMESA-N 1 0 349.544 3.166 40 0 EGABRO C[NH+](C)[C@H]1CCO[C@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096218315 454307721 /nfs/dbraw/zinc/30/77/21/454307721.db2.gz WZBKJHDAOLESMV-WMLDXEAASA-N 1 0 326.843 3.164 40 0 EGABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CC12CCN(C(=O)c1ccco1)CC2 ZINC000096238324 454310265 /nfs/dbraw/zinc/31/02/65/454310265.db2.gz OLJWJFCYEDWVGG-KRWDZBQOSA-N 1 0 339.439 3.049 40 0 EGABRO Cc1ccc(CC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000096444854 454351791 /nfs/dbraw/zinc/35/17/91/454351791.db2.gz CQMYRDIJXVGLMJ-FQEVSTJZSA-N 1 0 337.467 3.056 40 0 EGABRO C[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccc([S@@](C)=O)cc1 ZINC000096477385 454362967 /nfs/dbraw/zinc/36/29/67/454362967.db2.gz BJURMEUUUOGMOP-VNJOCVIMSA-N 1 0 343.492 3.299 40 0 EGABRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000096479244 454364094 /nfs/dbraw/zinc/36/40/94/454364094.db2.gz ALAGLLHCBOENEU-SUMWQHHRSA-N 1 0 342.418 3.109 40 0 EGABRO COc1ccccc1CC[N@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000079090657 454367376 /nfs/dbraw/zinc/36/73/76/454367376.db2.gz IKMAQZLWORQPNO-CQSZACIVSA-N 1 0 338.411 3.376 40 0 EGABRO COC(=O)Nc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000096494626 454370665 /nfs/dbraw/zinc/37/06/65/454370665.db2.gz CAZPDIWCTWVCJJ-UHFFFAOYSA-N 1 0 340.427 3.336 40 0 EGABRO C[N@@H+](Cc1ccc(Br)c2cccnc12)C[C@@H]1CCOC1 ZINC000096497175 454371131 /nfs/dbraw/zinc/37/11/31/454371131.db2.gz UVMUQJVWDVIESR-LBPRGKRZSA-N 1 0 335.245 3.466 40 0 EGABRO O=C(C[C@H]1OCCc2ccccc21)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000079361797 454401771 /nfs/dbraw/zinc/40/17/71/454401771.db2.gz OCDXOZLLNJDSLV-AZUAARDMSA-N 1 0 342.483 3.167 40 0 EGABRO C[C@@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@H]1CCOC1 ZINC000097096451 454405587 /nfs/dbraw/zinc/40/55/87/454405587.db2.gz JIFFCOQNIMRYAZ-YPMHNXCESA-N 1 0 333.457 3.192 40 0 EGABRO FC(F)(F)c1c[nH]c(C2CCN(CCC[NH+]3CCCCC3)CC2)n1 ZINC000097103371 454407045 /nfs/dbraw/zinc/40/70/45/454407045.db2.gz OYHKNDJBVPBNPW-UHFFFAOYSA-N 1 0 344.425 3.484 40 0 EGABRO C[C@H]([NH2+]CC(=O)Nc1nccs1)c1ccc(-c2cccnc2)cc1 ZINC000097230786 454427115 /nfs/dbraw/zinc/42/71/15/454427115.db2.gz AGLAYMWEGXZCML-ZDUSSCGKSA-N 1 0 338.436 3.494 40 0 EGABRO Cc1cc(=O)n2c(n1)NC(NC1CCCCC1)=[NH+][C@H]2[C@@H]1CC=CCC1 ZINC000100134497 454464096 /nfs/dbraw/zinc/46/40/96/454464096.db2.gz BQBFLFSBANAVAZ-RHSMWYFYSA-N 1 0 341.459 3.110 40 0 EGABRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCSC2)CC1 ZINC000122410127 454530794 /nfs/dbraw/zinc/53/07/94/454530794.db2.gz BEGCIEAURAUKHM-GOSISDBHSA-N 1 0 347.528 3.106 40 0 EGABRO CCc1nc(C)c([C@H](C)[NH2+]CCC(=O)Nc2ccc(C)cn2)s1 ZINC000167093176 454918181 /nfs/dbraw/zinc/91/81/81/454918181.db2.gz UAFBQKAKCYKKMB-LBPRGKRZSA-N 1 0 332.473 3.397 40 0 EGABRO CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CCN(c3ncccc3F)C1)CCC2 ZINC000168175494 454925928 /nfs/dbraw/zinc/92/59/28/454925928.db2.gz ZSFCETMPHHSSMS-JSGCOSHPSA-N 1 0 346.475 3.486 40 0 EGABRO COCc1c(Cl)cccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245287336 455281722 /nfs/dbraw/zinc/28/17/22/455281722.db2.gz BZQVIIYBNCHSHD-OLZOCXBDSA-N 1 0 337.851 3.187 40 0 EGABRO CCCCNC(=O)C1CCN(Cc2ccc(Br)o2)CC1 ZINC000191233975 455468241 /nfs/dbraw/zinc/46/82/41/455468241.db2.gz CLHARBLCSGQJKG-UHFFFAOYSA-N 1 0 343.265 3.170 40 0 EGABRO CC1=CCCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000252496643 455814503 /nfs/dbraw/zinc/81/45/03/455814503.db2.gz PNRJRNHNCHBWIK-UHFFFAOYSA-N 1 0 343.471 3.021 40 0 EGABRO CCc1nnc(CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000252584909 455822432 /nfs/dbraw/zinc/82/24/32/455822432.db2.gz DSVBGXQXCLBIEQ-QWHZDKJVSA-N 1 0 344.528 3.347 40 0 EGABRO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[NH2+]1 ZINC000257243093 455880890 /nfs/dbraw/zinc/88/08/90/455880890.db2.gz IFKZIPMCMBWZST-CQSZACIVSA-N 1 0 346.496 3.352 40 0 EGABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NCCC[NH3+])ccc1OC2(C)C ZINC000257292011 455884043 /nfs/dbraw/zinc/88/40/43/455884043.db2.gz QJPOZJLKIZGKPW-BPLDGKMQSA-N 1 0 346.471 3.162 40 0 EGABRO Cc1cccc(C)c1OCC(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257295501 455885567 /nfs/dbraw/zinc/88/55/67/455885567.db2.gz QYORBMMUHDNKLB-PXNSSMCTSA-N 1 0 330.472 3.205 40 0 EGABRO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C)s2)nc1 ZINC000257316757 455890610 /nfs/dbraw/zinc/89/06/10/455890610.db2.gz VGVXCYPTJQPRPU-GOSISDBHSA-N 1 0 329.469 3.425 40 0 EGABRO COc1ncc(C[N@@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257320950 455891075 /nfs/dbraw/zinc/89/10/75/455891075.db2.gz VZLJEBMJLJMQRX-OAHLLOKOSA-N 1 0 334.423 3.098 40 0 EGABRO Cn1cc(C[NH+]2CCC3(CO[C@H](Cc4ccccc4F)C3)CC2)cn1 ZINC000257327347 455892650 /nfs/dbraw/zinc/89/26/50/455892650.db2.gz XBAFGUCXRCJVTC-GOSISDBHSA-N 1 0 343.446 3.173 40 0 EGABRO Cc1ccc(Oc2ccccc2NC(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000195531121 455981138 /nfs/dbraw/zinc/98/11/38/455981138.db2.gz CYJQOQPVEUAFDV-INIZCTEOSA-N 1 0 326.396 3.104 40 0 EGABRO CCC[NH+]1CCC(N[C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000195553439 455984033 /nfs/dbraw/zinc/98/40/33/455984033.db2.gz ADWGECQVGMNCFQ-LJQANCHMSA-N 1 0 330.451 3.113 40 0 EGABRO C[C@@H](c1nc(C(C)(C)NC(=O)c2cccc(Cl)c2)no1)N(C)C ZINC000195574671 455986998 /nfs/dbraw/zinc/98/69/98/455986998.db2.gz PNCUIWYBXQLCHU-JTQLQIEISA-N 1 0 336.823 3.011 40 0 EGABRO COCCc1ccc(Oc2ccc(NC(=O)[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000225472122 456085417 /nfs/dbraw/zinc/08/54/17/456085417.db2.gz ZCRCSWABTBMGIS-MRXNPFEDSA-N 1 0 340.423 3.216 40 0 EGABRO C[C@@H](c1ccccc1)n1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000225489435 456086944 /nfs/dbraw/zinc/08/69/44/456086944.db2.gz LLAIZVQYBQOPMT-UNPWZGGWSA-N 1 0 338.455 3.352 40 0 EGABRO Fc1ccccc1COC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000225531204 456090529 /nfs/dbraw/zinc/09/05/29/456090529.db2.gz MRPTWLNNNMBSHF-LJQANCHMSA-N 1 0 337.435 3.350 40 0 EGABRO CCOc1ccccc1C(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225568827 456092872 /nfs/dbraw/zinc/09/28/72/456092872.db2.gz DOEHNDPDZGQRIT-MRXNPFEDSA-N 1 0 348.512 3.033 40 0 EGABRO COc1cccc(F)c1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000188864230 456154602 /nfs/dbraw/zinc/15/46/02/456154602.db2.gz PBHNCLKXHBKMGS-CQSZACIVSA-N 1 0 335.423 3.174 40 0 EGABRO CCCOc1ccc(-c2cn(O)c3c([n+]2=O)CCC3)cc1OCCC ZINC000334157785 456306941 /nfs/dbraw/zinc/30/69/41/456306941.db2.gz YBLNVNRQBLNQCO-UHFFFAOYSA-N 1 0 345.419 3.373 40 0 EGABRO c1coc(C[N@@H+]2CC[C@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306142950 456566836 /nfs/dbraw/zinc/56/68/36/456566836.db2.gz XOYWGISKCBUTPV-OAQYLSRUSA-N 1 0 346.434 3.234 40 0 EGABRO c1cc(C[NH+]2CCC(c3nnc4ncc(C5CC5)cn43)CC2)cs1 ZINC000306140349 456567587 /nfs/dbraw/zinc/56/75/87/456567587.db2.gz UQYRNUAXRKTEID-UHFFFAOYSA-N 1 0 339.468 3.443 40 0 EGABRO Cc1noc(C)c1CN1C[C@@]2(CCC[N@H+](CC3CCCCC3)C2)C1=O ZINC000585099450 459823229 /nfs/dbraw/zinc/82/32/29/459823229.db2.gz KRQYETFKACPTCY-FQEVSTJZSA-N 1 0 345.487 3.296 40 0 EGABRO O=C1CC[C@]2(CCC[N@H+](Cc3cc(F)ccc3F)CC2)N1CCF ZINC000585100000 459823475 /nfs/dbraw/zinc/82/34/75/459823475.db2.gz CDTWPIPGJJIKTJ-SFHVURJKSA-N 1 0 340.389 3.281 40 0 EGABRO Cc1cnccc1CC[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000585141140 459829827 /nfs/dbraw/zinc/82/98/27/459829827.db2.gz PXOULUCDHYBVAU-UHFFFAOYSA-N 1 0 338.377 3.274 40 0 EGABRO Cc1ccc(C(=O)N2CCC[C@H]2c2cccc(C[NH+](C)C)n2)s1 ZINC000585182318 459831098 /nfs/dbraw/zinc/83/10/98/459831098.db2.gz CVOZEYHTGBCJOE-INIZCTEOSA-N 1 0 329.469 3.490 40 0 EGABRO Cc1ncsc1C[NH+]1CCC(c2cnc(-c3ncc[nH]3)cn2)CC1 ZINC000585178887 459831373 /nfs/dbraw/zinc/83/13/73/459831373.db2.gz ZZTCPKALBBEXJB-UHFFFAOYSA-N 1 0 340.456 3.011 40 0 EGABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000585289611 459833136 /nfs/dbraw/zinc/83/31/36/459833136.db2.gz SMFFNKYDSJOYMB-PWRODBHTSA-N 1 0 341.451 3.406 40 0 EGABRO CN(CC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O)c1ccccc1 ZINC000585288563 459833466 /nfs/dbraw/zinc/83/34/66/459833466.db2.gz DSLHTYMPITVZQP-PWRODBHTSA-N 1 0 340.467 3.073 40 0 EGABRO c1c(CN2CCC(OCc3ccccc3)CC2)nnn1C1CCC1 ZINC000667492165 462108861 /nfs/dbraw/zinc/10/88/61/462108861.db2.gz YXYNILCSTXSHSN-UHFFFAOYSA-N 1 0 326.444 3.184 40 0 EGABRO Cc1c(-c2ccccc2)n[nH]c1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000012143776 525508109 /nfs/dbraw/zinc/50/81/09/525508109.db2.gz PEHKYOHLJXEQFP-MRXNPFEDSA-N 1 0 340.471 3.235 40 0 EGABRO C[NH+](C)CCNC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000225777922 535891452 /nfs/dbraw/zinc/89/14/52/535891452.db2.gz DLEHMPIZTNVZAJ-UHFFFAOYSA-N 1 0 332.831 3.210 40 0 EGABRO Cc1cc2c[nH+]cn2c([C@@H]2CCCCN2C(=O)c2cccs2)n1 ZINC000230566585 576026303 /nfs/dbraw/zinc/02/63/03/576026303.db2.gz JALJFWONUDNYTA-AWEZNQCLSA-N 1 0 326.425 3.467 40 0 EGABRO CC[NH+](CC)CCN1C(=O)c2cccc3c(Cl)ccc(c32)C1=O ZINC000004302924 210163834 /nfs/dbraw/zinc/16/38/34/210163834.db2.gz UJUWNQLOUDYZLE-UHFFFAOYSA-N 1 0 330.815 3.431 40 0 EGABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc[nH]c1=S ZINC000010228351 201796593 /nfs/dbraw/zinc/79/65/93/201796593.db2.gz JSFMZGDTADAURQ-UHFFFAOYSA-N 1 0 341.480 3.286 40 0 EGABRO O=C1CCCN1CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000013727422 201912510 /nfs/dbraw/zinc/91/25/10/201912510.db2.gz DWRYCUOPMVULGT-UHFFFAOYSA-N 1 0 338.451 3.368 40 0 EGABRO CC(C)C(=O)N(C)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019085073 201998490 /nfs/dbraw/zinc/99/84/90/201998490.db2.gz GOXMDOPLYGQDRT-UHFFFAOYSA-N 1 0 330.472 3.307 40 0 EGABRO O=C(NC1CC1)c1cc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)no1 ZINC000019293831 202002276 /nfs/dbraw/zinc/00/22/76/202002276.db2.gz OJDCRMUWSFDMJO-AWEZNQCLSA-N 1 0 343.402 3.086 40 0 EGABRO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CC[NH2+]C3)n2)c1 ZINC000019294178 202003179 /nfs/dbraw/zinc/00/31/79/202003179.db2.gz NZHRDDMYJUSTJC-CQSZACIVSA-N 1 0 335.386 3.498 40 0 EGABRO C[C@@H]1C[N@@H+](Cc2c3ncccc3[nH]c2C2CCOCC2)C[C@H](C)O1 ZINC000019497519 202008889 /nfs/dbraw/zinc/00/88/89/202008889.db2.gz SCMJOPKVOFDWQV-OKILXGFUSA-N 1 0 329.444 3.066 40 0 EGABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)no1 ZINC000019503685 202009799 /nfs/dbraw/zinc/00/97/99/202009799.db2.gz VTVSHGHHCBZGDF-HNNXBMFYSA-N 1 0 345.418 3.333 40 0 EGABRO CN1CC[N@H+](CC2CC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019589488 202012395 /nfs/dbraw/zinc/01/23/95/202012395.db2.gz SGJNVLLRZRUWMK-NRFANRHFSA-N 1 0 349.478 3.091 40 0 EGABRO CN(C(=O)C1CCCC1)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019586704 202013083 /nfs/dbraw/zinc/01/30/83/202013083.db2.gz RRCRYIBWPFWQOM-UHFFFAOYSA-N 1 0 342.483 3.499 40 0 EGABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1OCc1ccccn1 ZINC000019575799 202013773 /nfs/dbraw/zinc/01/37/73/202013773.db2.gz PSALXLDQUOSPMJ-PXNSSMCTSA-N 1 0 337.467 3.329 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1cccc(OC)c1 ZINC000020491800 202045343 /nfs/dbraw/zinc/04/53/43/202045343.db2.gz TYASKSAOCALWHG-IAGOWNOFSA-N 1 0 348.487 3.233 40 0 EGABRO CCOc1cccc(C[NH2+]CCN(C)C)c1OCc1ccccc1 ZINC000022076899 202079023 /nfs/dbraw/zinc/07/90/23/202079023.db2.gz VENBUYGYYJHROO-UHFFFAOYSA-N 1 0 328.456 3.316 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(Cl)s1 ZINC000072203461 216069597 /nfs/dbraw/zinc/06/95/97/216069597.db2.gz SOTQCRMTIIAQOH-SNVBAGLBSA-N 1 0 331.869 3.286 40 0 EGABRO C[NH+](C)CCCOc1c(F)cc(NC(=O)[C@H]2CCCS2)cc1F ZINC000075196554 202371647 /nfs/dbraw/zinc/37/16/47/202371647.db2.gz XDERKVLXGNULMX-CQSZACIVSA-N 1 0 344.427 3.129 40 0 EGABRO CC(=O)Nc1cccc(C[NH+]2CCC(Nc3cccc(C)n3)CC2)c1 ZINC000077316491 202391661 /nfs/dbraw/zinc/39/16/61/202391661.db2.gz BPYHOHSGMUKWPS-UHFFFAOYSA-N 1 0 338.455 3.425 40 0 EGABRO CCC[N@H+]1CC=C(c2nn3c(nnc3-c3ccccc3)s2)CC1 ZINC000226250118 201037215 /nfs/dbraw/zinc/03/72/15/201037215.db2.gz QGADBGHGMUPFFD-UHFFFAOYSA-N 1 0 325.441 3.352 40 0 EGABRO Cc1cc(C)c2cc(C[NH2+]Cc3ccc(F)cc3)c3nnnn3c2c1 ZINC000013998139 201057592 /nfs/dbraw/zinc/05/75/92/201057592.db2.gz FCIBFRZKJFXYLL-UHFFFAOYSA-N 1 0 335.386 3.323 40 0 EGABRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccnn2[C@H]2CCCCO2)o1 ZINC000023247810 212363127 /nfs/dbraw/zinc/36/31/27/212363127.db2.gz AGRVNFRQPIUPCS-LJQANCHMSA-N 1 0 346.475 3.047 40 0 EGABRO c1csc(N2CCC([NH2+]Cc3ccc4c(c3)OCCCO4)CC2)n1 ZINC000195557391 241006403 /nfs/dbraw/zinc/00/64/03/241006403.db2.gz KLHYHNMTARWDMY-UHFFFAOYSA-N 1 0 345.468 3.063 40 0 EGABRO C[NH+](C)C1(CN[C@H](c2ccccc2)c2ccc(F)cn2)CCOCC1 ZINC000195560656 241010867 /nfs/dbraw/zinc/01/08/67/241010867.db2.gz MNERHGJXGBLMGJ-LJQANCHMSA-N 1 0 343.446 3.011 40 0 EGABRO COc1cc(OC[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)ccc1O ZINC000005999117 201670484 /nfs/dbraw/zinc/67/04/84/201670484.db2.gz DTXXMQRFTUCBHG-YOEHRIQHSA-N 1 0 331.387 3.312 40 0 in-vitro EGABRO O=C(c1cscn1)N1CCCC[C@@H]2[NH2+][C@H](c3ccccc3)C[C@H]21 ZINC000257206793 244136036 /nfs/dbraw/zinc/13/60/36/244136036.db2.gz BEXAVCKFIFGQLA-YQQAZPJKSA-N 1 0 327.453 3.241 40 0 EGABRO Cc1nccc(C[C@@H]2COCC[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000257217862 244175389 /nfs/dbraw/zinc/17/53/89/244175389.db2.gz DAXMYCCZZKTXTQ-INIZCTEOSA-N 1 0 331.847 3.130 40 0 EGABRO CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)CCc3cccs3)CCO2)c1 ZINC000257211155 244149182 /nfs/dbraw/zinc/14/91/82/244149182.db2.gz BXSBEUXSEYHCHH-KRWDZBQOSA-N 1 0 345.468 3.026 40 0 EGABRO C[NH+](C)CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257220703 244184092 /nfs/dbraw/zinc/18/40/92/244184092.db2.gz DLTYZBOGKCRYGB-QGZVFWFLSA-N 1 0 345.418 3.020 40 0 EGABRO Cc1nccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072379054 203211163 /nfs/dbraw/zinc/21/11/63/203211163.db2.gz YSFTUYYNDGVBFN-KRWDZBQOSA-N 1 0 333.439 3.350 40 0 EGABRO OCCOc1cccc(C[N@@H+]2CCC[C@H]2CCc2ccncc2)c1 ZINC000257240029 244241923 /nfs/dbraw/zinc/24/19/23/244241923.db2.gz HRTQDQUTWFAVOK-IBGZPJMESA-N 1 0 326.440 3.050 40 0 EGABRO Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)Cc3cccs3)C2)[nH+]1 ZINC000257254116 244275076 /nfs/dbraw/zinc/27/50/76/244275076.db2.gz KBRRUBYOFNQKAT-AWEZNQCLSA-N 1 0 329.469 3.076 40 0 EGABRO O=C(C1CCC1)N1CCC2(CCC[N@H+](Cc3ccccn3)C2)CC1 ZINC000096158502 203846255 /nfs/dbraw/zinc/84/62/55/203846255.db2.gz KISIKEVODCMKBC-UHFFFAOYSA-N 1 0 327.472 3.086 40 0 EGABRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(Br)c1 ZINC000046858932 204336140 /nfs/dbraw/zinc/33/61/40/204336140.db2.gz OUPARDCYGUDRBB-LBPRGKRZSA-N 1 0 325.250 3.053 40 0 EGABRO NC(=O)C1CCC(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000095440128 218384565 /nfs/dbraw/zinc/38/45/65/218384565.db2.gz QFLPXTWRNGBOTG-UHFFFAOYSA-N 1 0 332.341 3.226 40 0 EGABRO Cc1cc(NC(=O)CC[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)no1 ZINC000012979620 207268592 /nfs/dbraw/zinc/26/85/92/207268592.db2.gz FCIWUADNCNEPHS-AWEZNQCLSA-N 1 0 349.456 3.054 40 0 EGABRO Clc1ccccc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228923197 257844333 /nfs/dbraw/zinc/84/43/33/257844333.db2.gz COEJSQMSWKEOQE-UHFFFAOYSA-N 1 0 328.807 3.148 40 0 EGABRO c1coc(C[NH+]2CCC3(CO[C@@H](COc4ccccn4)C3)CC2)c1 ZINC000096106195 285562996 /nfs/dbraw/zinc/56/29/96/285562996.db2.gz MLASOODXRSGNML-QGZVFWFLSA-N 1 0 328.412 3.125 40 0 EGABRO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[NH2+]1 ZINC000257243092 274035952 /nfs/dbraw/zinc/03/59/52/274035952.db2.gz IFKZIPMCMBWZST-AWEZNQCLSA-N 1 0 346.496 3.352 40 0 EGABRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CCCOC2)cc1 ZINC000286986979 276067148 /nfs/dbraw/zinc/06/71/48/276067148.db2.gz GDCGCTFJYQPEFK-LPHOPBHVSA-N 1 0 345.487 3.039 40 0 EGABRO CC(C)CC(=O)N(c1ccc(F)cc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257213885 277342253 /nfs/dbraw/zinc/34/22/53/277342253.db2.gz CJNCDVZIVNYCGO-KRWDZBQOSA-N 1 0 334.435 3.116 40 0 EGABRO CC(C)[C@H](c1nnnn1C(C)(C)C)N1CC[NH+](C2CCCCC2)CC1 ZINC000019445939 277929071 /nfs/dbraw/zinc/92/90/71/277929071.db2.gz OREKLYJBCGAAFA-QGZVFWFLSA-N 1 0 348.539 3.076 40 0 EGABRO C[C@@H]1C[N@@H+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000013305076 288199179 /nfs/dbraw/zinc/19/91/79/288199179.db2.gz DFRVEFDIWXCZKT-MTCSXPRVSA-N 1 0 327.509 3.078 40 0 EGABRO CCN(C(=O)Nc1ccncc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000097096233 323214585 /nfs/dbraw/zinc/21/45/85/323214585.db2.gz GBCWCJGPWLSZRV-INIZCTEOSA-N 1 0 342.418 3.349 40 0 EGABRO Cc1cncc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000097100787 323214814 /nfs/dbraw/zinc/21/48/14/323214814.db2.gz UVBUCWYZTOZJFL-UHFFFAOYSA-N 1 0 337.467 3.309 40 0 EGABRO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000097375282 323215595 /nfs/dbraw/zinc/21/55/95/323215595.db2.gz ZHRIZVYGYAKDMM-HRAATJIYSA-N 1 0 348.450 3.260 40 0 EGABRO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(Br)cc1F ZINC000127752005 323218769 /nfs/dbraw/zinc/21/87/69/323218769.db2.gz JNKJSUISNNGKRS-NHYWBVRUSA-N 1 0 346.240 3.028 40 0 EGABRO CCSc1ccc([C@H](C)NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000129891167 323219323 /nfs/dbraw/zinc/21/93/23/323219323.db2.gz RCPAIPNSRWVRPU-LSDHHAIUSA-N 1 0 335.517 3.453 40 0 EGABRO Cc1ccc([C@@H](C[NH2+]Cc2cccc3[nH]ccc32)N2CCOCC2)o1 ZINC000237971230 455239427 /nfs/dbraw/zinc/23/94/27/455239427.db2.gz XHETUQUTNMBYKS-LJQANCHMSA-N 1 0 339.439 3.232 40 0 EGABRO O=C(NCC1CC[NH+](C2CCSCC2)CC1)Nc1ccccc1 ZINC000240068148 455263829 /nfs/dbraw/zinc/26/38/29/455263829.db2.gz SKCSKBDXUMKDPP-UHFFFAOYSA-N 1 0 333.501 3.416 40 0 EGABRO CCn1nccc1CC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000240902799 455265531 /nfs/dbraw/zinc/26/55/31/455265531.db2.gz IVMBBUHONVNSDX-QGZVFWFLSA-N 1 0 327.428 3.054 40 0 EGABRO CCc1n(CC)c2ccccc2[n+]1C[C@@H](O)COc1ccc(C)cc1 ZINC000000316222 452562222 /nfs/dbraw/zinc/56/22/22/452562222.db2.gz UMQLNRSCPOUJQS-QGZVFWFLSA-N 1 0 339.459 3.259 40 0 EGABRO CC[NH+](CC)[C@@H](C)COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001840886 452678385 /nfs/dbraw/zinc/67/83/85/452678385.db2.gz DULUETYTNBOZNG-KRWDZBQOSA-N 1 0 341.451 3.196 40 0 EGABRO C[C@H]1[C@@H]2CC[C@]3(CC[C@H]4[C@]5(CCC[C@]4(C)C[N@@H+](CCO)C5)[C@@H]3C2)[C@@H]1O ZINC000005734938 452899316 /nfs/dbraw/zinc/89/93/16/452899316.db2.gz YGXRMWHUFMBLQJ-QHPKMWLUSA-N 1 0 347.543 3.294 40 0 EGABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1 ZINC000005959323 452914384 /nfs/dbraw/zinc/91/43/84/452914384.db2.gz DFTJGGTUHBQNFE-GOSISDBHSA-N 1 0 330.472 3.310 40 0 EGABRO C[C@@H]1CCCC[N@@H+]1CCCNc1c(C=O)c(=O)[nH]c2ccccc21 ZINC000006681836 452968955 /nfs/dbraw/zinc/96/89/55/452968955.db2.gz JEYRGHGYBAVUFD-CQSZACIVSA-N 1 0 327.428 3.429 40 0 EGABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)cc1 ZINC000007519894 453084212 /nfs/dbraw/zinc/08/42/12/453084212.db2.gz FXVRPWZFCCRQON-INIZCTEOSA-N 1 0 329.396 3.392 40 0 EGABRO C=Cn1cc(C[N@@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)c(C)n1 ZINC000012188831 453349438 /nfs/dbraw/zinc/34/94/38/453349438.db2.gz PTZNOQQLVRKPJB-LJQANCHMSA-N 1 0 329.419 3.305 40 0 EGABRO CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[NH2+]C1 ZINC000012275180 453352958 /nfs/dbraw/zinc/35/29/58/453352958.db2.gz QJQYBKPACUHJHB-LJQANCHMSA-N 1 0 328.412 3.125 40 0 EGABRO Cc1cccc(C2(O)CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)c1 ZINC000012327741 453357420 /nfs/dbraw/zinc/35/74/20/453357420.db2.gz CWPBECFLAYLBAZ-LJQANCHMSA-N 1 0 347.405 3.290 40 0 EGABRO COc1ccccc1/C=C\C[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000012337547 453357689 /nfs/dbraw/zinc/35/76/89/453357689.db2.gz FXLNACANJOYSPP-GMNBZTITSA-N 1 0 325.412 3.002 40 0 EGABRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000013613023 453474983 /nfs/dbraw/zinc/47/49/83/453474983.db2.gz KEABLBSPOLLTSN-MRXNPFEDSA-N 1 0 332.488 3.354 40 0 EGABRO CC(=O)Nc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000017072459 453629120 /nfs/dbraw/zinc/62/91/20/453629120.db2.gz RHLYTLIECFEIGE-UHFFFAOYSA-N 1 0 348.516 3.241 40 0 EGABRO CC[C@H](CNC(=O)Cc1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032445868 453873066 /nfs/dbraw/zinc/87/30/66/453873066.db2.gz ANUHXJLZDBSALA-HXUWFJFHSA-N 1 0 340.442 3.321 40 0 EGABRO Cc1nn(C)cc1C[N@H+](CCCn1ccnc1)Cc1cccc(F)c1 ZINC000043277705 454053355 /nfs/dbraw/zinc/05/33/55/454053355.db2.gz XGBGVTNYHNJCEZ-UHFFFAOYSA-N 1 0 341.434 3.157 40 0 EGABRO COc1ccccc1CNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000058155749 454165921 /nfs/dbraw/zinc/16/59/21/454165921.db2.gz BNRBLPNSIDUPGS-UHFFFAOYSA-N 1 0 347.503 3.349 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCC2CCC2)C1 ZINC000096040287 454266245 /nfs/dbraw/zinc/26/62/45/454266245.db2.gz DGJMIOUXNXTKSN-VQTJNVASSA-N 1 0 348.487 3.479 40 0 EGABRO c1coc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)c1 ZINC000096039972 454266504 /nfs/dbraw/zinc/26/65/04/454266504.db2.gz PZFFVFBULXQDBU-MOPGFXCFSA-N 1 0 328.412 3.125 40 0 EGABRO O=C(Nc1ccccc1)[C@@H]1C[N@H+](Cc2ccco2)CC12CCOCC2 ZINC000096052243 454273228 /nfs/dbraw/zinc/27/32/28/454273228.db2.gz KCHAVAARKDKCRY-SFHVURJKSA-N 1 0 340.423 3.147 40 0 EGABRO c1csc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC000096058091 454275382 /nfs/dbraw/zinc/27/53/82/454275382.db2.gz WNUOHAYHAFIECO-KSZLIROESA-N 1 0 330.453 3.092 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)s1 ZINC000096058097 454275922 /nfs/dbraw/zinc/27/59/22/454275922.db2.gz IPECHFSGXRXHTR-OTWHNJEPSA-N 1 0 344.480 3.400 40 0 EGABRO c1cc(C[N@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)cs1 ZINC000096058343 454276829 /nfs/dbraw/zinc/27/68/29/454276829.db2.gz VNPDQSKPGUUXAC-UFYCRDLUSA-N 1 0 340.492 3.351 40 0 EGABRO c1cc(C[N@H+]2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cs1 ZINC000096065415 454278283 /nfs/dbraw/zinc/27/82/83/454278283.db2.gz BNDNBURRRQIEHB-SQNIBIBYSA-N 1 0 330.453 3.092 40 0 EGABRO CC[NH+]1CCC2(CC1)C[C@@H](Nc1ncc(F)cn1)c1ccccc1O2 ZINC000096079757 454280605 /nfs/dbraw/zinc/28/06/05/454280605.db2.gz KPZWLZJWJNNXKR-MRXNPFEDSA-N 1 0 342.418 3.406 40 0 EGABRO c1coc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)c1 ZINC000096107295 454284606 /nfs/dbraw/zinc/28/46/06/454284606.db2.gz HOLGKOVVJFXDBI-MOPGFXCFSA-N 1 0 328.412 3.015 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3ccccn3)CC[C@H]2OC)cc1 ZINC000096110235 454285904 /nfs/dbraw/zinc/28/59/04/454285904.db2.gz PURDKRVCQXBQII-FXAWDEMLSA-N 1 0 326.440 3.170 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccc(F)cc2)o1 ZINC000096184678 454299922 /nfs/dbraw/zinc/29/99/22/454299922.db2.gz BZJHWMKMEFEXHL-ZWKOTPCHSA-N 1 0 328.387 3.216 40 0 EGABRO CCc1cnc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(C)o2)C3)nc1 ZINC000096215892 454305856 /nfs/dbraw/zinc/30/58/56/454305856.db2.gz WZQOULXVFAQJCH-HXUWFJFHSA-N 1 0 340.471 3.433 40 0 EGABRO C[N@@H+](Cc1cccnc1)C[C@H]1CC12CCN(Cc1nccs1)CC2 ZINC000096238319 454310648 /nfs/dbraw/zinc/31/06/48/454310648.db2.gz YFOJHPXRILZTBA-QGZVFWFLSA-N 1 0 342.512 3.272 40 0 EGABRO c1csc(C[N@H+]2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3CC2)c1 ZINC000096249375 454311318 /nfs/dbraw/zinc/31/13/18/454311318.db2.gz GKRSPYBYFOQTEJ-OALUTQOASA-N 1 0 343.496 3.009 40 0 EGABRO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1ccccc1C)CC2 ZINC000096240328 454312110 /nfs/dbraw/zinc/31/21/10/454312110.db2.gz NJNPIGJWGPHKOL-SFHVURJKSA-N 1 0 344.499 3.347 40 0 EGABRO CC[NH+](CC)C[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O ZINC000096296023 454316778 /nfs/dbraw/zinc/31/67/78/454316778.db2.gz CYKYOUNLBOFGJR-CMKODMSKSA-N 1 0 344.455 3.134 40 0 biogenic,in-vitro EGABRO CC(=O)Nc1cccc(C[N@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)c1 ZINC000096424430 454337508 /nfs/dbraw/zinc/33/75/08/454337508.db2.gz WQWYUZZIFDGETI-FQEVSTJZSA-N 1 0 342.414 3.482 40 0 EGABRO C[C@H]1CCN(C(=O)/C=C/c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000096433129 454343112 /nfs/dbraw/zinc/34/31/12/454343112.db2.gz GLTXECQLBMICCN-BBVFFXRHSA-N 1 0 335.451 3.218 40 0 EGABRO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CCOc2ccccc21 ZINC000096460365 454359364 /nfs/dbraw/zinc/35/93/64/454359364.db2.gz RETYTDZIQDJBET-KRWDZBQOSA-N 1 0 344.480 3.205 40 0 EGABRO CC(C)n1nccc1C(=O)NCc1ccc(C[N@H+](C)C(C)C)cc1 ZINC000096476714 454362660 /nfs/dbraw/zinc/36/26/60/454362660.db2.gz FSQKTEMLLYFCQH-UHFFFAOYSA-N 1 0 328.460 3.234 40 0 EGABRO COc1ccccc1CNc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000096482819 454364871 /nfs/dbraw/zinc/36/48/71/454364871.db2.gz WGQYSMRDBFUTJU-UHFFFAOYSA-N 1 0 327.428 3.198 40 0 EGABRO C[C@H]([NH2+]C1(CNC(=O)CC(C)(C)C)CCOCC1)c1ccccc1 ZINC000079096452 454367863 /nfs/dbraw/zinc/36/78/63/454367863.db2.gz OADMYSFTVLZRCC-INIZCTEOSA-N 1 0 332.488 3.439 40 0 EGABRO COc1ccccc1NC1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000096493110 454370081 /nfs/dbraw/zinc/37/00/81/454370081.db2.gz VEZRRULFPBLUBW-TZIWHRDSSA-N 1 0 338.451 3.230 40 0 EGABRO OCC1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000096497158 454371153 /nfs/dbraw/zinc/37/11/53/454371153.db2.gz OKLVDRFSBPKIHI-UHFFFAOYSA-N 1 0 335.245 3.202 40 0 EGABRO C[C@H]1C[C@@H](CNC(=O)c2ccc(O)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000097100848 454406583 /nfs/dbraw/zinc/40/65/83/454406583.db2.gz ADKJFEHFRDJDMB-HOCLYGCPSA-N 1 0 342.414 3.172 40 0 EGABRO CC(C)[NH+]1CCC(Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 ZINC000097238248 454428999 /nfs/dbraw/zinc/42/89/99/454428999.db2.gz JTPHUZZSRYWBFR-SFHVURJKSA-N 1 0 331.460 3.089 40 0 EGABRO COc1ccccc1[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccco1 ZINC000133611785 454445465 /nfs/dbraw/zinc/44/54/65/454445465.db2.gz UDTZUNVJYPPKQB-ALLBUHFWSA-N 1 0 342.439 3.415 40 0 EGABRO C[C@H](O)c1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1[S@@]2=O ZINC000065742887 454617707 /nfs/dbraw/zinc/61/77/07/454617707.db2.gz PMRKLUFRQDNKCL-LFPIHBKWSA-N 1 0 344.480 3.310 40 0 in-vitro EGABRO COCc1c(Cl)cccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000092929077 454655167 /nfs/dbraw/zinc/65/51/67/454655167.db2.gz BZQVIIYBNCHSHD-CHWSQXEVSA-N 1 0 337.851 3.187 40 0 EGABRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C(C)C ZINC000191285548 455474881 /nfs/dbraw/zinc/47/48/81/455474881.db2.gz KVEZFVINHICKCP-UKRRQHHQSA-N 1 0 336.480 3.432 40 0 EGABRO CCN(C(=O)Cc1cccnc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000110600460 454848534 /nfs/dbraw/zinc/84/85/34/454848534.db2.gz SFLZGBKELHZEKC-XLIONFOSSA-N 1 0 337.467 3.308 40 0 EGABRO COc1ccc(OC)c(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000245225160 455280778 /nfs/dbraw/zinc/28/07/78/455280778.db2.gz OMVFRRMEUIIWAT-ZIAGYGMSSA-N 1 0 335.448 3.088 40 0 EGABRO COc1cc(Oc2ccccc2)ccc1NC(=O)C1CC[NH2+]CC1 ZINC000182679091 455566438 /nfs/dbraw/zinc/56/64/38/455566438.db2.gz NTKKPNSFBXWZCC-UHFFFAOYSA-N 1 0 326.396 3.426 40 0 EGABRO CC[C@H]([NH2+]C1CCN(c2ccccc2OC)CC1)c1nccn1C ZINC000182691606 455569622 /nfs/dbraw/zinc/56/96/22/455569622.db2.gz OLTIYYNVJOVGLR-INIZCTEOSA-N 1 0 328.460 3.138 40 0 EGABRO Cc1ncccc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248588324 455721103 /nfs/dbraw/zinc/72/11/03/455721103.db2.gz GRQXVFIOODIXBH-ULQDDVLXSA-N 1 0 331.460 3.125 40 0 EGABRO COCc1cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1OC ZINC000248749742 455728388 /nfs/dbraw/zinc/72/83/88/455728388.db2.gz SXBGCKHXZBMAAF-PTKHLAPESA-N 1 0 331.456 3.450 40 0 EGABRO c1ccc2c(c1)NCCC[C@@H]2[NH2+]Cc1ccnc(O[C@H]2CCOC2)c1 ZINC000193063807 455739908 /nfs/dbraw/zinc/73/99/08/455739908.db2.gz MIFREKNKZCZACN-LPHOPBHVSA-N 1 0 339.439 3.286 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCC2CCC2)C1 ZINC000251975323 455799768 /nfs/dbraw/zinc/79/97/68/455799768.db2.gz DGJMIOUXNXTKSN-PMACEKPBSA-N 1 0 348.487 3.479 40 0 EGABRO C(C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)SC1CCCCC1 ZINC000253396853 455839411 /nfs/dbraw/zinc/83/94/11/455839411.db2.gz KBGKHKLBRBZTGH-OAHLLOKOSA-N 1 0 334.533 3.470 40 0 EGABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1ccc2ccccc2n1 ZINC000257281237 455881507 /nfs/dbraw/zinc/88/15/07/455881507.db2.gz OOGFACLJVMBSEE-DZJZLKLXSA-N 1 0 335.451 3.370 40 0 EGABRO C[C@]12CCCN(C(=O)c3ccc(Cc4ccccc4)nc3)[C@@H]1CCC[NH2+]2 ZINC000257286098 455882447 /nfs/dbraw/zinc/88/24/47/455882447.db2.gz PKGGLVHPSWFULY-IRLDBZIGSA-N 1 0 349.478 3.419 40 0 EGABRO Cc1n[nH]cc1C[N@@H+]1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257291826 455884016 /nfs/dbraw/zinc/88/40/16/455884016.db2.gz QIUBXPSWBPUCBG-INIZCTEOSA-N 1 0 325.412 3.155 40 0 EGABRO Cc1cnc(C[N@@H+]2CCC[C@H](Cc3nccn4cccc34)CC2)cn1 ZINC000257305671 455888047 /nfs/dbraw/zinc/88/80/47/455888047.db2.gz SQZJDPATBCEQGN-KRWDZBQOSA-N 1 0 335.455 3.278 40 0 EGABRO CCCn1nccc1-c1cnc(C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257320353 455890361 /nfs/dbraw/zinc/89/03/61/455890361.db2.gz VWLCAUASZUQYPU-MRXNPFEDSA-N 1 0 327.476 3.413 40 0 EGABRO c1ccc(CO[C@H]2C[N@@H+](C3CCOCC3)CC[C@@]23CCCO3)cc1 ZINC000257316960 455890873 /nfs/dbraw/zinc/89/08/73/455890873.db2.gz VHSCIGBNTCSBCA-PMACEKPBSA-N 1 0 331.456 3.006 40 0 EGABRO Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000257336202 455894453 /nfs/dbraw/zinc/89/44/53/455894453.db2.gz YNNIIXBVEMXCSU-WOJBJXKFSA-N 1 0 339.483 3.412 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1cccc(OC)c1 ZINC000260492748 455898657 /nfs/dbraw/zinc/89/86/57/455898657.db2.gz TYASKSAOCALWHG-IRXDYDNUSA-N 1 0 348.487 3.233 40 0 EGABRO CCO[C@H]1C[C@@H]([NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)C12CCC2 ZINC000194999116 455911346 /nfs/dbraw/zinc/91/13/46/455911346.db2.gz VLRCQTVAWCBNTM-YVSFHVDLSA-N 1 0 333.476 3.060 40 0 EGABRO [NH3+][C@@H]1CC[C@@H](C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000195543148 455983018 /nfs/dbraw/zinc/98/30/18/455983018.db2.gz OQPXLGUGIOUNQY-TZMCWYRMSA-N 1 0 326.362 3.324 40 0 EGABRO Cc1nc(N(C)C)sc1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000195556570 455984764 /nfs/dbraw/zinc/98/47/64/455984764.db2.gz IAMUGMQSOKEWKJ-UHFFFAOYSA-N 1 0 339.896 3.205 40 0 EGABRO CN(Cc1nc(-c2ccc(Br)o2)no1)[C@@H]1CCSC1 ZINC000195574673 455987519 /nfs/dbraw/zinc/98/75/19/455987519.db2.gz SSGHEXXVKKWARN-MRVPVSSYSA-N 1 0 344.234 3.029 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(OC)cc1 ZINC000225316651 456076838 /nfs/dbraw/zinc/07/68/38/456076838.db2.gz OHJQEQWQYFZHEB-SFHVURJKSA-N 1 0 332.488 3.399 40 0 EGABRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000230307202 456135949 /nfs/dbraw/zinc/13/59/49/456135949.db2.gz CFERQOTZURSPBJ-YOEHRIQHSA-N 1 0 337.423 3.265 40 0 EGABRO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@H+](C)C3)nn2c1 ZINC000306139417 456566578 /nfs/dbraw/zinc/56/65/78/456566578.db2.gz SWSWCXVAGLJNLB-CQSZACIVSA-N 1 0 340.402 3.353 40 0 EGABRO c1csc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccoc4)C2)OC3)c1 ZINC000306142706 456567892 /nfs/dbraw/zinc/56/78/92/456567892.db2.gz XGXZIHRSYXAMFW-GOSISDBHSA-N 1 0 341.436 3.380 40 0 EGABRO COCCn1ccnc1[C@H]1C[N@H+](Cc2ccco2)Cc2ccccc21 ZINC000306144733 456569929 /nfs/dbraw/zinc/56/99/29/456569929.db2.gz ZNKUNLCYKUKXPO-IBGZPJMESA-N 1 0 337.423 3.270 40 0 EGABRO Cc1cc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)ncc1C(N)=O ZINC000331435094 457184750 /nfs/dbraw/zinc/18/47/50/457184750.db2.gz ARNYCYSRSZTJRW-UHFFFAOYSA-N 1 0 346.475 3.048 40 0 EGABRO Clc1cccnc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390881013 457447609 /nfs/dbraw/zinc/44/76/09/457447609.db2.gz VGOOWWWUPKTETD-MRXNPFEDSA-N 1 0 331.847 3.438 40 0 EGABRO CC(C)C[N@@H+]1C[C@@H]2CN(Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000514289222 458798622 /nfs/dbraw/zinc/79/86/22/458798622.db2.gz JVFPBOVPDFZDJC-IBGZPJMESA-N 1 0 333.495 3.062 40 0 biogenic,in-vitro EGABRO CCC(CC)C[N@@H+]1CCC[C@@]2(CN(Cc3c(C)noc3C)C2=O)C1 ZINC000585099588 459823060 /nfs/dbraw/zinc/82/30/60/459823060.db2.gz RTPUQAIJYKSSAT-IBGZPJMESA-N 1 0 333.476 3.152 40 0 EGABRO O[C@]1(COc2ccc(Cl)cc2)COCC[N@@H+](C2CCCCC2)C1 ZINC000585282258 459832303 /nfs/dbraw/zinc/83/23/03/459832303.db2.gz ZZUHVWKQZIKUEX-SFHVURJKSA-N 1 0 339.863 3.115 40 0 EGABRO CC(=O)N1CCCC[C@H]2[N@H+](CC3(O)CCCCCC3)CCC[C@@]21C ZINC000585282531 459832615 /nfs/dbraw/zinc/83/26/15/459832615.db2.gz FXGLRQZCTUUSKR-MOPGFXCFSA-N 1 0 336.520 3.327 40 0 EGABRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)c1 ZINC000585285355 459833112 /nfs/dbraw/zinc/83/31/12/459833112.db2.gz OORLZSNCNZIKOQ-XUVXKRRUSA-N 1 0 345.414 3.285 40 0 EGABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000585288690 459833580 /nfs/dbraw/zinc/83/35/80/459833580.db2.gz HSJXIEXEKMKBSD-XUVXKRRUSA-N 1 0 345.414 3.155 40 0 EGABRO Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)nc12 ZINC000097228477 546691065 /nfs/dbraw/zinc/69/10/65/546691065.db2.gz CDRGUKVXCWQGQR-OWJWWREXSA-N 1 0 341.480 3.273 40 0 EGABRO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]Cc4ccncc4)[C@H]3C=C12 ZINC000003999987 210097611 /nfs/dbraw/zinc/09/76/11/210097611.db2.gz AXMXPBSJTYIHAZ-MALKTNSBSA-N 1 0 340.467 3.485 40 0 biogenic EGABRO O=C(Nc1ccc(F)c(-n2cccc2)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000102716203 219224358 /nfs/dbraw/zinc/22/43/58/219224358.db2.gz HTSPLLAWPXGGSY-MRXNPFEDSA-N 1 0 340.402 3.094 40 0 EGABRO c1c(CC2([NH2+]C3CCCCC3)COC2)noc1COc1ccccc1 ZINC000067898156 215245387 /nfs/dbraw/zinc/24/53/87/215245387.db2.gz BAIYHDQNHZGAFA-UHFFFAOYSA-N 1 0 342.439 3.487 40 0 biogenic,in-vitro EGABRO Oc1cccc(-c2cc(CC3([NH2+]C4CCCCC4)COC3)no2)c1 ZINC000067898306 215245831 /nfs/dbraw/zinc/24/58/31/215245831.db2.gz NMJSBOZPDKSKFK-UHFFFAOYSA-N 1 0 328.412 3.281 40 0 biogenic,in-vitro EGABRO C[NH+]1CCN(C[C@H](NCc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000069171041 215367356 /nfs/dbraw/zinc/36/73/56/215367356.db2.gz CTPSBSHRSNPJOZ-FQEVSTJZSA-N 1 0 345.437 3.043 40 0 EGABRO O[C@@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCCC1 ZINC000040373176 213293402 /nfs/dbraw/zinc/29/34/02/213293402.db2.gz OLQZNKGKOVMKOR-HXUWFJFHSA-N 1 0 325.452 3.292 40 0 EGABRO [NH3+]CCc1nc(-c2nc(C(=O)Nc3ccccc3)cs2)cs1 ZINC000001567201 209761042 /nfs/dbraw/zinc/76/10/42/209761042.db2.gz XYFMFTLEEVNSDQ-UHFFFAOYSA-N 1 0 330.438 3.020 40 0 EGABRO C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccccc1 ZINC000035312106 213019482 /nfs/dbraw/zinc/01/94/82/213019482.db2.gz MQMAYLYRJOUAKP-QGZVFWFLSA-N 1 0 337.467 3.268 40 0 EGABRO CN(C)Cc1cc(C[C@@H]2C[C@H]([NH2+]Cc3ccccc3)C2(C)C)no1 ZINC000072320757 216149259 /nfs/dbraw/zinc/14/92/59/216149259.db2.gz GJDKSTSSCYIXLA-APWZRJJASA-N 1 0 327.472 3.483 40 0 biogenic,in-vitro EGABRO NC(=O)CCc1cccc([C@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072360505 216166777 /nfs/dbraw/zinc/16/67/77/216166777.db2.gz SVXLGUCUQAQYPM-HXUWFJFHSA-N 1 0 337.467 3.269 40 0 EGABRO CCOc1ccc(C[NH+]2CCC(O)(c3cccnc3F)CC2)cc1 ZINC000072339995 216158398 /nfs/dbraw/zinc/15/83/98/216158398.db2.gz VLLZBLPWLSEVSN-UHFFFAOYSA-N 1 0 330.403 3.103 40 0 EGABRO c1cn(-c2cncc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)cn1 ZINC000072355493 216163697 /nfs/dbraw/zinc/16/36/97/216163697.db2.gz HHHZRRKAWOUHDZ-SFHVURJKSA-N 1 0 333.439 3.084 40 0 EGABRO O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(-c2ccncc2)[nH]1 ZINC000072392702 216190663 /nfs/dbraw/zinc/19/06/63/216190663.db2.gz UMNXGMJUWTZJMO-UHFFFAOYSA-N 1 0 347.422 3.019 40 0 EGABRO Cn1nc([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)c2nccnc21 ZINC000072393855 216192899 /nfs/dbraw/zinc/19/28/99/216192899.db2.gz GDKHRUJCEFGNRZ-ZDUSSCGKSA-N 1 0 343.381 3.021 40 0 EGABRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccncc2Cl)CC1 ZINC000073093963 216349545 /nfs/dbraw/zinc/34/95/45/216349545.db2.gz BXTMZEJKTDUUTI-UHFFFAOYSA-N 1 0 333.819 3.065 40 0 EGABRO CSCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc2c(cc1C)OCO2 ZINC000022833693 212326513 /nfs/dbraw/zinc/32/65/13/212326513.db2.gz HFQJGUONRRJGMU-IRXDYDNUSA-N 1 0 348.512 3.125 40 0 EGABRO COC1CC[NH+](C2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)CC1 ZINC000206766703 241050127 /nfs/dbraw/zinc/05/01/27/241050127.db2.gz FWVPDNVVKUAPGN-UHFFFAOYSA-N 1 0 345.487 3.411 40 0 EGABRO Clc1ccc(C[N@@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)nc1 ZINC000257230512 244209467 /nfs/dbraw/zinc/20/94/67/244209467.db2.gz GCRCJIFDRXRFAK-CYBMUJFWSA-N 1 0 327.819 3.386 40 0 EGABRO c1ccc(CO[C@H]2C[N@H+](Cc3cccnc3)CC[C@@]23CCCO3)cc1 ZINC000257246042 244258387 /nfs/dbraw/zinc/25/83/87/244258387.db2.gz ISEPHUNWRVEXAM-SFTDATJTSA-N 1 0 338.451 3.422 40 0 EGABRO Cc1[nH+]cc2cc(C)nc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n12 ZINC000257274495 244388985 /nfs/dbraw/zinc/38/89/85/244388985.db2.gz NLIIXKBMNDWMKU-AWEZNQCLSA-N 1 0 330.432 3.461 40 0 EGABRO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CCC[NH2+]3)[nH]n2)c1 ZINC000257318993 244511356 /nfs/dbraw/zinc/51/13/56/244511356.db2.gz VQGDBGXNVWULKZ-AWEZNQCLSA-N 1 0 325.334 3.475 40 0 EGABRO COc1ccc(C(=O)N2CCC[C@H]2c2ccc(C[NH+](C)C)cn2)cc1 ZINC000257320307 244515428 /nfs/dbraw/zinc/51/54/28/244515428.db2.gz VWEREJCZVAEIQT-IBGZPJMESA-N 1 0 339.439 3.129 40 0 EGABRO CCCc1ncc(C[N@@H+]2CCC[C@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746665 212061486 /nfs/dbraw/zinc/06/14/86/212061486.db2.gz KGFZTRKJAMLKHN-FQEVSTJZSA-N 1 0 344.503 3.090 40 0 EGABRO Cc1nc(C(F)(F)F)ccc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000019656625 212053573 /nfs/dbraw/zinc/05/35/73/212053573.db2.gz MODVRPVRJYZSNQ-UHFFFAOYSA-N 1 0 343.393 3.403 40 0 EGABRO C=Cn1cc(CN2CC[NH+](CC3(c4ccccc4)CC3)CC2)c(C)n1 ZINC000019584221 212047525 /nfs/dbraw/zinc/04/75/25/212047525.db2.gz RXRUVBRWVCRXOF-UHFFFAOYSA-N 1 0 336.483 3.141 40 0 EGABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000019575062 212045155 /nfs/dbraw/zinc/04/51/55/212045155.db2.gz YCFCRGCODZFDGT-DYVFJYSZSA-N 1 0 330.863 3.399 40 0 EGABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc(Oc2ccccc2)c1 ZINC000019575947 212045018 /nfs/dbraw/zinc/04/50/18/212045018.db2.gz LJDBOVSRUAMIBV-QXAKKESOSA-N 1 0 338.451 3.118 40 0 EGABRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc2ccc(N(C)C)cc2[nH]1 ZINC000019456153 212029838 /nfs/dbraw/zinc/02/98/38/212029838.db2.gz XTOSTLPCYIRVFO-OAHLLOKOSA-N 1 0 342.487 3.228 40 0 EGABRO O=C(c1cccnc1)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 ZINC000019373927 212024689 /nfs/dbraw/zinc/02/46/89/212024689.db2.gz RQJWIAUDZSSKNG-VAMGGRTRSA-N 1 0 335.451 3.222 40 0 EGABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1F ZINC000019340977 212017847 /nfs/dbraw/zinc/01/78/47/212017847.db2.gz MUJSLXBKECCLSA-AWEZNQCLSA-N 1 0 342.349 3.399 40 0 EGABRO Cc1csc([C@@H](C)NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000078925540 217149490 /nfs/dbraw/zinc/14/94/90/217149490.db2.gz GUGISWAMHIICCC-HUUCEWRRSA-N 1 0 346.500 3.332 40 0 EGABRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000079333638 217209906 /nfs/dbraw/zinc/20/99/06/217209906.db2.gz QIXKIQCDYRSKHS-RDJZCZTQSA-N 1 0 341.455 3.408 40 0 EGABRO O=C(C[C@H]1OCCc2ccccc21)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000079361806 217216084 /nfs/dbraw/zinc/21/60/84/217216084.db2.gz OCDXOZLLNJDSLV-UYAOXDASSA-N 1 0 342.483 3.167 40 0 EGABRO Fc1ccc(Cn2c3ccccc3nc2OC[C@@H]2CC[NH2+]C2)cc1 ZINC000079440682 217224808 /nfs/dbraw/zinc/22/48/08/217224808.db2.gz AEZZSFYWMDVYQU-OAHLLOKOSA-N 1 0 325.387 3.212 40 0 EGABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000012362729 211355490 /nfs/dbraw/zinc/35/54/90/211355490.db2.gz YYVVTPHSQAPNKX-OAHLLOKOSA-N 1 0 331.435 3.149 40 0 EGABRO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)C[C@H]2CC=CCC2)n1 ZINC000012186005 211313504 /nfs/dbraw/zinc/31/35/04/211313504.db2.gz CPLVJSANCGWLTC-RBUKOAKNSA-N 1 0 343.471 3.312 40 0 EGABRO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1Br ZINC000011024155 211200552 /nfs/dbraw/zinc/20/05/52/211200552.db2.gz NVTVIELDMOSXEN-QWHCGFSZSA-N 1 0 328.250 3.063 40 0 EGABRO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000092063920 218113393 /nfs/dbraw/zinc/11/33/93/218113393.db2.gz BEODXIGPQVXJIN-WNHYQHMGSA-N 1 0 329.465 3.248 40 0 EGABRO COCCOc1ccc(C[NH2+][C@H]2CCCOc3cc(C)ccc32)cn1 ZINC000095420411 218360854 /nfs/dbraw/zinc/36/08/54/218360854.db2.gz DFRVYJMXLHVYQM-SFHVURJKSA-N 1 0 342.439 3.419 40 0 EGABRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096037059 218518848 /nfs/dbraw/zinc/51/88/48/218518848.db2.gz UGOXJNWPLNSALR-UHFFFAOYSA-N 1 0 342.462 3.157 40 0 EGABRO O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096046561 218533451 /nfs/dbraw/zinc/53/34/51/218533451.db2.gz LTGBVDXEKLAWBI-UHFFFAOYSA-N 1 0 341.480 3.271 40 0 EGABRO CC[C@@H]1C[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@](C(=O)OC)(C2)[C@@H]13 ZINC000005082114 210386462 /nfs/dbraw/zinc/38/64/62/210386462.db2.gz NVVDQMVGALBDGE-AFAMQEBYSA-N 1 0 338.451 3.255 40 0 biogenic,in-vitro EGABRO COc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000005045787 210372717 /nfs/dbraw/zinc/37/27/17/210372717.db2.gz ZTKVIOSWRLPOQT-UHFFFAOYSA-N 1 0 330.472 3.166 40 0 EGABRO CC1(C)CC(NC(=O)Cc2ccccc2OC(F)F)CC(C)(C)[NH2+]1 ZINC000118492999 221153184 /nfs/dbraw/zinc/15/31/84/221153184.db2.gz ZGAMNXJOMVDWFM-UHFFFAOYSA-N 1 0 340.414 3.256 40 0 EGABRO Fc1cc(Cl)ccc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228923949 257844316 /nfs/dbraw/zinc/84/43/16/257844316.db2.gz IKJUFIBAYVPGDK-UHFFFAOYSA-N 1 0 346.797 3.287 40 0 EGABRO CC(C)[NH+]1CCC2(CC(c3ccccc3)=NN2C(=O)C2CC2)CC1 ZINC000306142265 257924952 /nfs/dbraw/zinc/92/49/52/257924952.db2.gz WUUAVHCAYQVVMW-UHFFFAOYSA-N 1 0 325.456 3.276 40 0 EGABRO c1ccc2c(c1)[C@H]([NH2+][C@H]1CCOC1)CC21CCN(c2cccnc2)CC1 ZINC000096079017 285523895 /nfs/dbraw/zinc/52/38/95/285523895.db2.gz GXVCHHMBYMRFIC-LAUBAEHRSA-N 1 0 349.478 3.443 40 0 EGABRO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019078926 287120741 /nfs/dbraw/zinc/12/07/41/287120741.db2.gz MFWWDSZBHBAYTR-AEFFLSMTSA-N 1 0 348.462 3.460 40 0 EGABRO COC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)cc1 ZINC000194102165 274044817 /nfs/dbraw/zinc/04/48/17/274044817.db2.gz XAOWKMCRJGQYNQ-DLBZAZTESA-N 1 0 346.862 3.076 40 0 EGABRO COc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3C)CC2)cc1 ZINC000012292494 274117402 /nfs/dbraw/zinc/11/74/02/274117402.db2.gz WLNGNYGBIXXOKL-HXUWFJFHSA-N 1 0 341.451 3.021 40 0 EGABRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CCCOC2)cc1 ZINC000286986975 276067128 /nfs/dbraw/zinc/06/71/28/276067128.db2.gz GDCGCTFJYQPEFK-APWZRJJASA-N 1 0 345.487 3.039 40 0 EGABRO CCOC[C@H]1CCC2(CCN(C(=O)CC3=CCCCC3)CC2)[N@@H+]1C ZINC000096208296 276333562 /nfs/dbraw/zinc/33/35/62/276333562.db2.gz ZWRFGFUWCIUNSV-GOSISDBHSA-N 1 0 334.504 3.369 40 0 EGABRO CN(C)C(=O)NC1CC2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000108526686 276744857 /nfs/dbraw/zinc/74/48/57/276744857.db2.gz KPRIVYNSUFWVIB-UHFFFAOYSA-N 1 0 335.879 3.356 40 0 EGABRO Cc1c(-c2cc(C[N@@H+]3CCC[C@H](c4ccncc4)C3)on2)cnn1C ZINC000295704694 308352279 /nfs/dbraw/zinc/35/22/79/308352279.db2.gz FPWCEZOCQZEHJU-INIZCTEOSA-N 1 0 337.427 3.158 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000163683653 323223983 /nfs/dbraw/zinc/22/39/83/323223983.db2.gz LBKCZNKXDLGURG-RBUKOAKNSA-N 1 0 345.487 3.080 40 0 EGABRO Cc1csc([C@H](C)[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000195566392 323888132 /nfs/dbraw/zinc/88/81/32/323888132.db2.gz IDBWXOQZXQLZLH-AAEUAGOBSA-N 1 0 343.452 3.177 40 0 EGABRO CC[C@@H](C)n1ncc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1C ZINC000390834268 324284574 /nfs/dbraw/zinc/28/45/74/324284574.db2.gz VNEACOCNSYRALB-OHRKKDJYSA-N 1 0 333.480 3.299 40 0 EGABRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000189900283 455251587 /nfs/dbraw/zinc/25/15/87/455251587.db2.gz VTOCZENKZMWWPM-AUUYWEPGSA-N 1 0 325.387 3.396 40 0 EGABRO [NH3+][C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000242548102 455271247 /nfs/dbraw/zinc/27/12/47/455271247.db2.gz LCTJGKALHGAFFD-RRFJBIMHSA-N 1 0 342.247 3.260 40 0 EGABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000000514890 452610410 /nfs/dbraw/zinc/61/04/10/452610410.db2.gz QNORQIRGLSYKKX-UHFFFAOYSA-N 1 0 339.464 3.409 40 0 EGABRO OCC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000001555488 452667270 /nfs/dbraw/zinc/66/72/70/452667270.db2.gz FHGFQQXEMNVJIA-CVEARBPZSA-N 1 0 326.223 3.350 40 0 EGABRO CCN(CC)C(=O)[C@@H](c1ccccc1)[C@@]1(O)CCCC[C@@H]1C[NH+](C)C ZINC000001670788 452672143 /nfs/dbraw/zinc/67/21/43/452672143.db2.gz ORSHIJVHWYGHBF-SFHLNBCPSA-N 1 0 346.515 3.122 40 0 EGABRO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(O)c(CO)c1 ZINC000005352554 452863149 /nfs/dbraw/zinc/86/31/49/452863149.db2.gz NZBXAYHLQSMNQS-IBGZPJMESA-N 1 0 329.440 3.219 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@H](c1ccccc1)[C@@H](O)[C@H]1CC=CCC1 ZINC000005572738 452885167 /nfs/dbraw/zinc/88/51/67/452885167.db2.gz HRCOKXUTLNEIOQ-ZCNNSNEGSA-N 1 0 345.483 3.372 40 0 EGABRO O=C(OCC[NH+]1CCCCC1)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000006582260 452956779 /nfs/dbraw/zinc/95/67/79/452956779.db2.gz ULSFDMDCOKMGSL-NRFANRHFSA-N 1 0 345.483 3.484 40 0 EGABRO Cc1cc(C[N@@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)c(C)s1 ZINC000019567982 453657835 /nfs/dbraw/zinc/65/78/35/453657835.db2.gz GIOJEKATUVOMNT-UHFFFAOYSA-N 1 0 331.485 3.172 40 0 EGABRO CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@@H+]2Cc1c[nH]nc1-c1ccccc1 ZINC000019712479 453658800 /nfs/dbraw/zinc/65/88/00/453658800.db2.gz UHMSXHXSUHXHMA-RTBURBONSA-N 1 0 338.455 3.052 40 0 EGABRO CC(C)[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1cccs1 ZINC000029189699 453827163 /nfs/dbraw/zinc/82/71/63/453827163.db2.gz NLFDRLDLLVRBPE-INIZCTEOSA-N 1 0 328.437 3.331 40 0 EGABRO COCc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000032728899 453885589 /nfs/dbraw/zinc/88/55/89/453885589.db2.gz FVMMHODQXRCZMC-SFHVURJKSA-N 1 0 330.403 3.005 40 0 EGABRO C[NH+](C)[C@@H](CNC(=O)C1=Cc2ccccc2OC1)c1cccc(F)c1 ZINC000032729773 453885651 /nfs/dbraw/zinc/88/56/51/453885651.db2.gz IHRIVRNJCHIHSD-SFHVURJKSA-N 1 0 340.398 3.021 40 0 EGABRO COc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000044140412 454089792 /nfs/dbraw/zinc/08/97/92/454089792.db2.gz ZSHBSGJWZPFGLX-GJZGRUSLSA-N 1 0 335.517 3.350 40 0 EGABRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1 ZINC000070928427 454185735 /nfs/dbraw/zinc/18/57/35/454185735.db2.gz MQABNXHNCXJDPR-UHFFFAOYSA-N 1 0 329.831 3.381 40 0 EGABRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000070928424 454186468 /nfs/dbraw/zinc/18/64/68/454186468.db2.gz BTWPOISGSVGFCQ-UHFFFAOYSA-N 1 0 329.831 3.381 40 0 EGABRO COc1ccc(OC)c(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000045959120 454201282 /nfs/dbraw/zinc/20/12/82/454201282.db2.gz OMVFRRMEUIIWAT-KBPBESRZSA-N 1 0 335.448 3.088 40 0 EGABRO C[NH+]1CCN(c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)CC1 ZINC000071794133 454218763 /nfs/dbraw/zinc/21/87/63/454218763.db2.gz AWHOCXJXJWTROX-UHFFFAOYSA-N 1 0 334.423 3.172 40 0 EGABRO CC1CCN(C(=O)C[NH+]2CCC(Cc3cccc(F)c3)CC2)CC1 ZINC000071953291 454261641 /nfs/dbraw/zinc/26/16/41/454261641.db2.gz BBQSUBJBDMFGJM-UHFFFAOYSA-N 1 0 332.463 3.339 40 0 EGABRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cccs1)CC2 ZINC000096037052 454265704 /nfs/dbraw/zinc/26/57/04/454265704.db2.gz LXLSGTATKKIBNB-UHFFFAOYSA-N 1 0 330.501 3.080 40 0 EGABRO Cc1nc(COC[C@@H]2C[N@H+](CC3CCC3)Cc3ncn(C)c32)cs1 ZINC000096045040 454268672 /nfs/dbraw/zinc/26/86/72/454268672.db2.gz YLNDUEFXUSFFAM-HNNXBMFYSA-N 1 0 346.500 3.101 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccnc2)C3)o1 ZINC000096047041 454269967 /nfs/dbraw/zinc/26/99/67/454269967.db2.gz FFRSFKRQZIYUMR-HXUWFJFHSA-N 1 0 339.439 3.111 40 0 EGABRO c1csc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC000096048232 454271483 /nfs/dbraw/zinc/27/14/83/454271483.db2.gz OWTUZEKXYHYKHL-SJLPKXTDSA-N 1 0 330.453 3.346 40 0 EGABRO Cc1ccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccsc2)C3)nn1 ZINC000096048444 454271704 /nfs/dbraw/zinc/27/17/04/454271704.db2.gz XKXNPPZXEKWQKL-AEFFLSMTSA-N 1 0 344.484 3.082 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)cc1 ZINC000096056619 454274052 /nfs/dbraw/zinc/27/40/52/454274052.db2.gz KJEHYFNEYIXVQW-WOJBJXKFSA-N 1 0 336.435 3.465 40 0 EGABRO Fc1cccnc1O[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccco1)C2 ZINC000096107560 454284183 /nfs/dbraw/zinc/28/41/83/454284183.db2.gz JWUWCCCKEDTABV-YJBOKZPZSA-N 1 0 332.375 3.016 40 0 EGABRO COc1cccc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c1 ZINC000096106626 454284366 /nfs/dbraw/zinc/28/43/66/454284366.db2.gz ZBMJLULNFAJBQH-IBGZPJMESA-N 1 0 331.456 3.245 40 0 EGABRO Cc1ccsc1C[N@@H+]1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096187173 454299540 /nfs/dbraw/zinc/29/95/40/454299540.db2.gz YTQDTYSOKXCLBZ-AOIWGVFYSA-N 1 0 344.480 3.400 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@]23CCN(Cc2nccs2)C3)n1 ZINC000096203073 454302952 /nfs/dbraw/zinc/30/29/52/454302952.db2.gz OEMLXNUMAUYEAD-GOSISDBHSA-N 1 0 328.485 3.087 40 0 EGABRO c1coc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC000096215071 454304788 /nfs/dbraw/zinc/30/47/88/454304788.db2.gz VQNVCLXANKJDKF-CTNGQTDRSA-N 1 0 344.499 3.240 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)[C@H]3OCC[C@@H]32)cc1 ZINC000096209896 454306052 /nfs/dbraw/zinc/30/60/52/454306052.db2.gz CSEGMGLBOSROJF-HBMCJLEFSA-N 1 0 338.451 3.339 40 0 EGABRO C[NH+]1CCC2(C[C@@H](COCC3CC3)N(C(=O)c3ccccc3)C2)CC1 ZINC000096217235 454306933 /nfs/dbraw/zinc/30/69/33/454306933.db2.gz UAMBATKGGWLRDW-IBGZPJMESA-N 1 0 342.483 3.040 40 0 EGABRO O=C(C[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2)N1CCCC1 ZINC000096221961 454308917 /nfs/dbraw/zinc/30/89/17/454308917.db2.gz MMARKCADGHMVSD-INIZCTEOSA-N 1 0 348.512 3.132 40 0 EGABRO O=C(c1cscn1)N1C[C@H]2C[NH+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096245485 454312099 /nfs/dbraw/zinc/31/20/99/454312099.db2.gz PEXMFTUKJOGULG-ZIAGYGMSSA-N 1 0 347.871 3.001 40 0 EGABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]32)C(=O)N1CC ZINC000096261602 454315112 /nfs/dbraw/zinc/31/51/12/454315112.db2.gz KLBLXWHIMHYYRI-LVCYWYKZSA-N 1 0 339.483 3.246 40 0 EGABRO CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000096261143 454315131 /nfs/dbraw/zinc/31/51/31/454315131.db2.gz VKIXKHMIWHDSSU-FQEVSTJZSA-N 1 0 349.478 3.452 40 0 EGABRO O=C(N[C@H](c1ccccc1)C1CCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096404098 454323508 /nfs/dbraw/zinc/32/35/08/454323508.db2.gz LRJSMPHHHRJMHW-GUDVDZBRSA-N 1 0 327.472 3.454 40 0 EGABRO COc1ccsc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000096404516 454323598 /nfs/dbraw/zinc/32/35/98/454323598.db2.gz BGSOQZICLLWOFA-UHFFFAOYSA-N 1 0 345.468 3.069 40 0 EGABRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000096424615 454338670 /nfs/dbraw/zinc/33/86/70/454338670.db2.gz XAWNAAVAXGSEIZ-UHFFFAOYSA-N 1 0 341.430 3.058 40 0 EGABRO COCc1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)no1 ZINC000096430612 454341429 /nfs/dbraw/zinc/34/14/29/454341429.db2.gz IXCQVPIFRUJFSD-CQSZACIVSA-N 1 0 343.427 3.448 40 0 EGABRO C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](C)C1)c1ccc(Br)s1 ZINC000096430904 454342336 /nfs/dbraw/zinc/34/23/36/454342336.db2.gz PISPJYXFQMROOO-MNOVXSKESA-N 1 0 345.306 3.024 40 0 EGABRO C[C@@H]1CCN(C(=O)/C=C/c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000096433128 454343505 /nfs/dbraw/zinc/34/35/05/454343505.db2.gz GLTXECQLBMICCN-QZEKMECESA-N 1 0 335.451 3.218 40 0 EGABRO O=C(NCCc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047302471 454355333 /nfs/dbraw/zinc/35/53/33/454355333.db2.gz DHAQDDIZVYCASS-UHFFFAOYSA-N 1 0 340.442 3.397 40 0 EGABRO CCCC[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(N)=O ZINC000079029829 454357525 /nfs/dbraw/zinc/35/75/25/454357525.db2.gz CNPDOZSNBHBNLO-INIZCTEOSA-N 1 0 338.879 3.022 40 0 EGABRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)/C=C/c3ccco3)CC2)C[C@H](C)O1 ZINC000096456017 454358389 /nfs/dbraw/zinc/35/83/89/454358389.db2.gz GTMICELXFRGYQZ-WZDWLKHJSA-N 1 0 346.471 3.031 40 0 EGABRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000096500847 454372076 /nfs/dbraw/zinc/37/20/76/454372076.db2.gz MOUOQGDOWOVTJU-UHFFFAOYSA-N 1 0 331.464 3.421 40 0 EGABRO C[C@H](O)c1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1[S@]2=O ZINC000065742889 454617164 /nfs/dbraw/zinc/61/71/64/454617164.db2.gz PMRKLUFRQDNKCL-BSEYFRJRSA-N 1 0 344.480 3.310 40 0 in-vitro EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)s1 ZINC000107228213 454747210 /nfs/dbraw/zinc/74/72/10/454747210.db2.gz HECZIZUNNFBAFD-QAPCUYQASA-N 1 0 345.468 3.049 40 0 EGABRO Cc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)o1 ZINC000107746886 454772438 /nfs/dbraw/zinc/77/24/38/454772438.db2.gz JJGSEOORIJZVGU-QFBILLFUSA-N 1 0 330.403 3.065 40 0 EGABRO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000125456097 454823538 /nfs/dbraw/zinc/82/35/38/454823538.db2.gz FNRXOUFSOMDYJT-INIZCTEOSA-N 1 0 329.400 3.061 40 0 EGABRO COc1ccc(F)c(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000156171165 455089262 /nfs/dbraw/zinc/08/92/62/455089262.db2.gz HVESPUSIZAIUHL-AWEZNQCLSA-N 1 0 335.423 3.174 40 0 EGABRO O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)C1CC[NH2+]CC1 ZINC000182838676 455175482 /nfs/dbraw/zinc/17/54/82/455175482.db2.gz GUYPJWNDCQVTTO-UHFFFAOYSA-N 1 0 349.887 3.122 40 0 EGABRO COc1cccc([C@H]2[C@H](NC(=O)c3cc[nH]c3C)CC[N@@H+]2C2CC2)c1 ZINC000245526333 455321789 /nfs/dbraw/zinc/32/17/89/455321789.db2.gz ANAFSCMZWPJOLC-MOPGFXCFSA-N 1 0 339.439 3.040 40 0 EGABRO Cc1nnsc1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000190518667 455336929 /nfs/dbraw/zinc/33/69/29/455336929.db2.gz GKZGGDTZEAIYCD-CYBMUJFWSA-N 1 0 344.484 3.240 40 0 EGABRO CC(=O)Nc1ccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000181956795 455404803 /nfs/dbraw/zinc/40/48/03/455404803.db2.gz SJBMPBACTOFJLE-YWZLYKJASA-N 1 0 338.455 3.363 40 0 EGABRO C[C@H](c1cnccn1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000185390626 455553193 /nfs/dbraw/zinc/55/31/93/455553193.db2.gz UDCZPTRWZMOKLD-NEPJUHHUSA-N 1 0 325.338 3.090 40 0 EGABRO COC[C@H]1CN(C(C)=O)CC12CC[NH+](Cc1cc(C)ccc1C)CC2 ZINC000247904714 455653605 /nfs/dbraw/zinc/65/36/05/455653605.db2.gz JKZWPKZUYXZWNP-HXUWFJFHSA-N 1 0 344.499 3.010 40 0 EGABRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000249069243 455743695 /nfs/dbraw/zinc/74/36/95/455743695.db2.gz ZYKJWEFSYHANEP-VNQPRFMTSA-N 1 0 348.491 3.035 40 0 EGABRO CN(C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000252509053 455817319 /nfs/dbraw/zinc/81/73/19/455817319.db2.gz YBSVSYSDPNQMMK-SFTDATJTSA-N 1 0 343.515 3.036 40 0 EGABRO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3cccs3)[C@@H](C)C2)s1 ZINC000253419203 455843623 /nfs/dbraw/zinc/84/36/23/455843623.db2.gz KNUSFRODRIGBHN-FZMZJTMJSA-N 1 0 335.498 3.153 40 0 EGABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000257235359 455880050 /nfs/dbraw/zinc/88/00/50/455880050.db2.gz GXMXIGPYLUTSHV-DOXZYTNZSA-N 1 0 341.430 3.457 40 0 EGABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)COc1ccccc1Cl ZINC000257331562 455893219 /nfs/dbraw/zinc/89/32/19/455893219.db2.gz XTJHCBLTZAFGMM-WITVHBPWSA-N 1 0 348.874 3.240 40 0 EGABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3n[nH]cc3C)C2)cc1CO ZINC000257344147 455897062 /nfs/dbraw/zinc/89/70/62/455897062.db2.gz ZVYSEETZSBUUNZ-INIZCTEOSA-N 1 0 343.471 3.064 40 0 EGABRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cccc(C)c2C)cc1 ZINC000195540555 455982482 /nfs/dbraw/zinc/98/24/82/455982482.db2.gz VIUMJAUDGNXWOW-MRXNPFEDSA-N 1 0 346.496 3.203 40 0 EGABRO [NH3+][C@H]1CC[C@H](C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000195543153 455982581 /nfs/dbraw/zinc/98/25/81/455982581.db2.gz OQPXLGUGIOUNQY-JSGCOSHPSA-N 1 0 326.362 3.324 40 0 EGABRO Cc1cc(Br)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000195565607 455986000 /nfs/dbraw/zinc/98/60/00/455986000.db2.gz IUHKUBUZPWRXPR-SWLSCSKDSA-N 1 0 339.277 3.312 40 0 EGABRO COc1ccc(CN(CC[NH+](C)C)Cc2ccccc2)cc1OC ZINC000199425256 456015546 /nfs/dbraw/zinc/01/55/46/456015546.db2.gz ALGRLJHOMHIVTJ-UHFFFAOYSA-N 1 0 328.456 3.268 40 0 EGABRO CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222773524 456050558 /nfs/dbraw/zinc/05/05/58/456050558.db2.gz ZVSIYQKXLZOKQG-ROUUACIJSA-N 1 0 349.463 3.260 40 0 EGABRO CCOC(=O)c1cccc(NC(=S)NCCC[NH+]2CCCCC2)c1 ZINC000225410615 456081521 /nfs/dbraw/zinc/08/15/21/456081521.db2.gz NRIHQUTYFHIQJX-UHFFFAOYSA-N 1 0 349.500 3.026 40 0 EGABRO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](CCCc1ccccc1)C2 ZINC000225494091 456087659 /nfs/dbraw/zinc/08/76/59/456087659.db2.gz XMKZVATYPNFVLX-FQEVSTJZSA-N 1 0 339.483 3.026 40 0 biogenic,in-vitro EGABRO COCCn1ccnc1[C@@H]1C[N@H+](Cc2ccco2)Cc2ccccc21 ZINC000306144734 456569508 /nfs/dbraw/zinc/56/95/08/456569508.db2.gz ZNKUNLCYKUKXPO-LJQANCHMSA-N 1 0 337.423 3.270 40 0 EGABRO C[C@@H](c1ccsc1)N1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000329792055 456941147 /nfs/dbraw/zinc/94/11/47/456941147.db2.gz FDZWUCJLTPHKLP-ZDUSSCGKSA-N 1 0 340.452 3.143 40 0 EGABRO CNC(=O)C[C@@H]1Cn2cccc2CN(Cc2ccc(Cl)c(F)c2)C1 ZINC000585099009 459823041 /nfs/dbraw/zinc/82/30/41/459823041.db2.gz AUSSZAQEOLBLMC-AWEZNQCLSA-N 1 0 349.837 3.049 40 0 EGABRO Cc1cc(-c2cnc3ccc(Cl)cn32)nc(C2CC[NH2+]CC2)n1 ZINC000585262991 459832118 /nfs/dbraw/zinc/83/21/18/459832118.db2.gz HBBJVINBPVBNIB-UHFFFAOYSA-N 1 0 327.819 3.220 40 0 EGABRO Cc1ccc(OCC2(O)CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC000585272477 459832288 /nfs/dbraw/zinc/83/22/88/459832288.db2.gz JCOJEIHGCRMKPE-UHFFFAOYSA-N 1 0 327.424 3.107 40 0 EGABRO CC(=O)N1CCC[C@H]([NH2+]Cc2ccncc2)[C@@H]1Cc1cccc(C)c1 ZINC000585285593 459833592 /nfs/dbraw/zinc/83/35/92/459833592.db2.gz LFBAWZIGCGWUSY-SFTDATJTSA-N 1 0 337.467 3.102 40 0 EGABRO COCC1CC[NH+]([C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)CC1 ZINC000585289326 459833686 /nfs/dbraw/zinc/83/36/86/459833686.db2.gz IAEZOIMCMMYYLN-DFQSSKMNSA-N 1 0 333.472 3.014 40 0 EGABRO COc1ccc([C@@H]2C[C@H]2CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000614728442 460214659 /nfs/dbraw/zinc/21/46/59/460214659.db2.gz HGZIBIIDABOYAJ-PXKYIRMRSA-N 1 0 342.483 3.272 40 0 EGABRO CCCc1cnc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000157272457 528653952 /nfs/dbraw/zinc/65/39/52/528653952.db2.gz VSIFKQRLAOPIGU-CQSZACIVSA-N 1 0 336.505 3.435 40 0 EGABRO CCN(CC)C(=O)c1cccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000236834384 535482055 /nfs/dbraw/zinc/48/20/55/535482055.db2.gz VSMFNLHAMYHNKM-DODVFSASSA-N 1 0 343.471 3.028 40 0 EGABRO C[NH+](C)Cc1ccc(C(=O)N2CCC(Cc3ccncc3)CC2)cc1 ZINC000257278693 535996048 /nfs/dbraw/zinc/99/60/48/535996048.db2.gz ODGJMGPPPCQRSY-UHFFFAOYSA-N 1 0 337.467 3.238 40 0 EGABRO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)c2ccc(F)cc2)nc1 ZINC000257255137 536021030 /nfs/dbraw/zinc/02/10/30/536021030.db2.gz KGGKIYGQFRRKHS-GOSISDBHSA-N 1 0 327.403 3.260 40 0 EGABRO COCCn1ccnc1[C@H]1C[N@H+](Cc2ccoc2)Cc2ccccc21 ZINC000306130485 547459640 /nfs/dbraw/zinc/45/96/40/547459640.db2.gz JHUASNUICFGCAD-IBGZPJMESA-N 1 0 337.423 3.270 40 0 EGABRO C[C@H]1[C@H](CC[NH+]2CCCC2)COCCN1C(=O)/C=C/c1cccs1 ZINC000306129422 547459841 /nfs/dbraw/zinc/45/98/41/547459841.db2.gz ICKUENWEBDVOTM-YMPXZSTISA-N 1 0 348.512 3.111 40 0 EGABRO Clc1cccc(CNc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228923969 575000146 /nfs/dbraw/zinc/00/01/46/575000146.db2.gz QSOWUYSAKDUMSA-UHFFFAOYSA-N 1 0 342.834 3.016 40 0 EGABRO Clc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228919445 574999996 /nfs/dbraw/zinc/99/99/96/574999996.db2.gz DKGUQCHIWFGSAK-UHFFFAOYSA-N 1 0 328.807 3.148 40 0 EGABRO Cc1ccc2nc(C[N@@H+]3CCC[C@@H]3c3cccc(F)c3)cc(=O)n2c1 ZINC000053717961 214195523 /nfs/dbraw/zinc/19/55/23/214195523.db2.gz XSNRGZXXGONGGH-GOSISDBHSA-N 1 0 337.398 3.479 40 0 EGABRO CCCCc1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@@H+]3C)[nH]n1 ZINC000257276438 535080932 /nfs/dbraw/zinc/08/09/32/535080932.db2.gz NTTQRRKPYVRXMT-HKUYNNGSSA-N 1 0 332.492 3.231 40 0 EGABRO Cn1cc(CC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c2ccccc21 ZINC000068131885 215280460 /nfs/dbraw/zinc/28/04/60/215280460.db2.gz OHJNJORPRINQKZ-GOSISDBHSA-N 1 0 339.483 3.198 40 0 EGABRO CC[N@@H+]1CCC[C@@](O)(CN(Cc2ccco2)Cc2cccs2)C1 ZINC000040714631 213373426 /nfs/dbraw/zinc/37/34/26/213373426.db2.gz IIDAWUUMUFXJQS-SFHVURJKSA-N 1 0 334.485 3.190 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1Cc1c(C)noc1C ZINC000036740614 213116486 /nfs/dbraw/zinc/11/64/86/213116486.db2.gz IBMUQVSENUPZIY-BFUOFWGJSA-N 1 0 344.455 3.094 40 0 EGABRO Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000036079732 213060178 /nfs/dbraw/zinc/06/01/78/213060178.db2.gz SUVMUGYORVNEIW-LJQANCHMSA-N 1 0 344.480 3.110 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1cnc(Cl)s1 ZINC000072203462 216068813 /nfs/dbraw/zinc/06/88/13/216068813.db2.gz SOTQCRMTIIAQOH-JTQLQIEISA-N 1 0 331.869 3.286 40 0 EGABRO O=C(C1CCCC1)N1C[C@@H]2CCCC[N@H+](Cc3cccnc3)[C@@H]2C1 ZINC000072330638 216155310 /nfs/dbraw/zinc/15/53/10/216155310.db2.gz IQLBXUQATGBAMV-RBUKOAKNSA-N 1 0 327.472 3.085 40 0 EGABRO CC[N@@H+]1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 ZINC000072363446 216169685 /nfs/dbraw/zinc/16/96/85/216169685.db2.gz DCIAKCIHLOPUOQ-HNNXBMFYSA-N 1 0 326.448 3.135 40 0 EGABRO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H](c2cncc(C)n2)C1 ZINC000072369417 216176272 /nfs/dbraw/zinc/17/62/72/216176272.db2.gz FXITWESNZLHMLP-AWEZNQCLSA-N 1 0 327.457 3.182 40 0 EGABRO Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377888 216179246 /nfs/dbraw/zinc/17/92/46/216179246.db2.gz DMWLZFGOBCPFMI-KRWDZBQOSA-N 1 0 348.410 3.053 40 0 EGABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377361 216179411 /nfs/dbraw/zinc/17/94/11/216179411.db2.gz WUQMAYOIKQRDIA-KRWDZBQOSA-N 1 0 332.411 3.347 40 0 EGABRO c1ccc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4ccccn4)n3)C2)nc1 ZINC000072377651 216179919 /nfs/dbraw/zinc/17/99/19/216179919.db2.gz IAUNHGBBGCTRRS-INIZCTEOSA-N 1 0 346.438 3.390 40 0 EGABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072369870 216177854 /nfs/dbraw/zinc/17/78/54/216177854.db2.gz FCEIHYIEJPABSQ-INIZCTEOSA-N 1 0 336.395 3.130 40 0 EGABRO Cc1cccc(/C=C/C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000023181485 212358167 /nfs/dbraw/zinc/35/81/67/212358167.db2.gz MPIAFWPMXPGLMK-AEHISBCRSA-N 1 0 330.472 3.012 40 0 EGABRO CCC(CC)[C@@H](CNC(=O)Nc1cccc(C)c1)[NH+]1CCOCC1 ZINC000022966300 212339825 /nfs/dbraw/zinc/33/98/25/212339825.db2.gz WOZZXHZHLVTDIL-GOSISDBHSA-N 1 0 333.476 3.254 40 0 EGABRO CCC(CC)[C@H](CNC(=O)Nc1cccc(C)c1)[NH+]1CCOCC1 ZINC000022966303 212339289 /nfs/dbraw/zinc/33/92/89/212339289.db2.gz WOZZXHZHLVTDIL-SFHVURJKSA-N 1 0 333.476 3.254 40 0 EGABRO Cc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000195558507 241007117 /nfs/dbraw/zinc/00/71/17/241007117.db2.gz HQVPSDRSBQVOHQ-QGZVFWFLSA-N 1 0 333.476 3.312 40 0 EGABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@H]2[NH3+])cc1 ZINC000218613758 241334861 /nfs/dbraw/zinc/33/48/61/241334861.db2.gz DZGNFKWOJLTSQU-YESZJQIVSA-N 1 0 335.856 3.169 40 0 EGABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+](C)C)nc3)CC2)cc1 ZINC000225940848 242079315 /nfs/dbraw/zinc/07/93/15/242079315.db2.gz XDVLVUPTMINFHW-UHFFFAOYSA-N 1 0 339.439 3.001 40 0 EGABRO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CC[C@H](Nc3ccccc3)C2)C1 ZINC000239762149 242963777 /nfs/dbraw/zinc/96/37/77/242963777.db2.gz CKYQPZIJXBUFOO-RXVVDRJESA-N 1 0 349.478 3.335 40 0 EGABRO Cc1ncc(CN(C)C)c([C@@H]2CCC[N@@H+]2CCOc2ccccc2)n1 ZINC000257202819 244123361 /nfs/dbraw/zinc/12/33/61/244123361.db2.gz ANOPCTOSGDBELV-IBGZPJMESA-N 1 0 340.471 3.063 40 0 EGABRO Fc1cccc(C[C@H]2CC3(CO2)CC[NH+](Cc2ncc[nH]2)CC3)c1 ZINC000257232612 244216742 /nfs/dbraw/zinc/21/67/42/244216742.db2.gz GLPWPOBPQLEDDF-KRWDZBQOSA-N 1 0 329.419 3.163 40 0 EGABRO C[C@]12CC[N@H+](Cc3cccnc3)[C@H]1CCC(=O)N2Cc1ccccc1 ZINC000257248967 244263273 /nfs/dbraw/zinc/26/32/73/244263273.db2.gz JGBCDKQRNWJDBY-FPOVZHCZSA-N 1 0 335.451 3.237 40 0 EGABRO Nc1nc2nc(C3CC[NH+](Cc4cccnc4)CC3)ccc2s1 ZINC000257250292 244268638 /nfs/dbraw/zinc/26/86/38/244268638.db2.gz JLXUZEDOVPKWJC-UHFFFAOYSA-N 1 0 325.441 3.048 40 0 EGABRO Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CC[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000257312244 244496281 /nfs/dbraw/zinc/49/62/81/244496281.db2.gz UMZKUOYUCFAHEP-VQTJNVASSA-N 1 0 339.483 3.460 40 0 EGABRO Cn1cc(C[N@@H+]2CC[C@@H](C(=O)N3CCCCC3)C2)c2cc(F)ccc21 ZINC000019747928 212061590 /nfs/dbraw/zinc/06/15/90/212061590.db2.gz XFJZPVIGZNMHBM-OAHLLOKOSA-N 1 0 343.446 3.152 40 0 EGABRO COc1ccc2nc(C)c(C(=O)N3CCCC[C@H]3C[NH+](C)C)cc2c1 ZINC000019582576 212046816 /nfs/dbraw/zinc/04/68/16/212046816.db2.gz QMOCCKFOPBZAMZ-INIZCTEOSA-N 1 0 341.455 3.108 40 0 EGABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000019570070 212043745 /nfs/dbraw/zinc/04/37/45/212043745.db2.gz LWQHMTRTOAERJW-INIZCTEOSA-N 1 0 336.395 3.130 40 0 EGABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccccn1)Cc1cccnc1NC ZINC000019527198 212037981 /nfs/dbraw/zinc/03/79/81/212037981.db2.gz BLRIHZZDFBLDBT-IBGZPJMESA-N 1 0 339.487 3.005 40 0 EGABRO CCOc1cc(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)ccc1OC ZINC000019532057 212039955 /nfs/dbraw/zinc/03/99/55/212039955.db2.gz IYJMZBYNOVOYSE-UHOSZYNNSA-N 1 0 344.499 3.400 40 0 EGABRO CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019499270 212034176 /nfs/dbraw/zinc/03/41/76/212034176.db2.gz ILVYYKLIYYCHFQ-NVXWUHKLSA-N 1 0 344.484 3.018 40 0 EGABRO COc1ccc([C@@H]([NH2+]CC(=O)N(C)Cc2ccco2)C(C)C)cc1 ZINC000049581075 214020372 /nfs/dbraw/zinc/02/03/72/214020372.db2.gz ZXDROBDKOWRHBA-IBGZPJMESA-N 1 0 330.428 3.234 40 0 EGABRO Cc1ccc(-n2cccc2CN(CC[NH+](C)C)Cc2ccccn2)nc1 ZINC000019216218 212004990 /nfs/dbraw/zinc/00/49/90/212004990.db2.gz ULQXJKNUFPWQJI-UHFFFAOYSA-N 1 0 349.482 3.140 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)CC1 ZINC000078657031 217096536 /nfs/dbraw/zinc/09/65/36/217096536.db2.gz WHBJXASMKZCBLH-LPHOPBHVSA-N 1 0 345.487 3.032 40 0 EGABRO Cc1csc([C@@H](C)NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000078925547 217148767 /nfs/dbraw/zinc/14/87/67/217148767.db2.gz GUGISWAMHIICCC-LSDHHAIUSA-N 1 0 346.500 3.332 40 0 EGABRO C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1csc(C2CC2)n1 ZINC000079036672 217178462 /nfs/dbraw/zinc/17/84/62/217178462.db2.gz GKKJBRLQXQNTRE-GFCCVEGCSA-N 1 0 336.505 3.065 40 0 EGABRO C[C@@H]([NH2+]C1(CNC(=O)C[C@H]2C=CCC2)CCOCC1)c1ccccc1 ZINC000079096335 217192132 /nfs/dbraw/zinc/19/21/32/217192132.db2.gz PJPQVPKDPGKLEJ-MSOLQXFVSA-N 1 0 342.483 3.359 40 0 EGABRO CC/C=C(/C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000079096392 217192220 /nfs/dbraw/zinc/19/22/20/217192220.db2.gz POMGNADPRAIGOH-KZRVJCNKSA-N 1 0 330.472 3.359 40 0 EGABRO C[C@H]1C[C@H](C)C[NH+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000012377832 211359850 /nfs/dbraw/zinc/35/98/50/211359850.db2.gz CPFQUQPPMDHFQO-KCQAQPDRSA-N 1 0 342.277 3.167 40 0 EGABRO Cc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012292160 211335676 /nfs/dbraw/zinc/33/56/76/211335676.db2.gz XDOOTOYTIXKVAN-LJQANCHMSA-N 1 0 329.415 3.151 40 0 EGABRO CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC=CCC2)[C@@H](c2ccc(OC)cc2)C1 ZINC000012241808 211328778 /nfs/dbraw/zinc/32/87/78/211328778.db2.gz DXNLEZMLMFJLPC-SXLOBPIMSA-N 1 0 342.483 3.346 40 0 EGABRO O=C(c1ccsc1)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257311156 296278263 /nfs/dbraw/zinc/27/82/63/296278263.db2.gz UIFLOUWYGZPTMA-KRWDZBQOSA-N 1 0 342.464 3.306 40 0 EGABRO COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000010311197 211163086 /nfs/dbraw/zinc/16/30/86/211163086.db2.gz SRKZRQFNLPCIDJ-SFHVURJKSA-N 1 0 338.407 3.249 40 0 EGABRO CC(C)(C)c1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)s1 ZINC000093669326 218242089 /nfs/dbraw/zinc/24/20/89/218242089.db2.gz JWPOXSQSMZFKNB-UHFFFAOYSA-N 1 0 335.517 3.425 40 0 EGABRO O=C1NCCCN1C1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000093668738 218242573 /nfs/dbraw/zinc/24/25/73/218242573.db2.gz JIPMKJQRLAALIB-UHFFFAOYSA-N 1 0 339.439 3.326 40 0 EGABRO COc1ccc(OC(F)F)c(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093644345 218238027 /nfs/dbraw/zinc/23/80/27/218238027.db2.gz BLHJUEGOKIKWBM-OCCSQVGLSA-N 1 0 328.403 3.211 40 0 EGABRO C[C@@H]1CC[C@@H](CCC(=O)NC2CC[NH+](Cc3cccs3)CC2)O1 ZINC000095404735 218340013 /nfs/dbraw/zinc/34/00/13/218340013.db2.gz XIKDUUBKVCCANO-ZBFHGGJFSA-N 1 0 336.501 3.176 40 0 EGABRO CN(C(=O)C[N@H+](C)C1CC1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000095405837 218341085 /nfs/dbraw/zinc/34/10/85/218341085.db2.gz IAABORMMHDJPFU-LJQANCHMSA-N 1 0 345.393 3.002 40 0 EGABRO O=C(c1cc(C2CC2)on1)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000095405461 218341253 /nfs/dbraw/zinc/34/12/53/218341253.db2.gz LHZYQPUCJMCKDN-UHFFFAOYSA-N 1 0 337.423 3.351 40 0 EGABRO C[C@](O)(C[NH2+]C1CCN(CCc2ccccc2)CC1)c1cccs1 ZINC000095422984 218364913 /nfs/dbraw/zinc/36/49/13/218364913.db2.gz QLWWFMZHSRRYKW-FQEVSTJZSA-N 1 0 344.524 3.252 40 0 EGABRO C[C@@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]C[C@](C)(O)c1ccco1 ZINC000095423309 218365755 /nfs/dbraw/zinc/36/57/55/218365755.db2.gz GTUPUUUYLQAWML-SJCJKPOMSA-N 1 0 336.819 3.147 40 0 EGABRO C[C@@]1(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCOC1 ZINC000095440645 218384417 /nfs/dbraw/zinc/38/44/17/218384417.db2.gz SCWYUVDLZPNAIO-LJQANCHMSA-N 1 0 331.460 3.016 40 0 EGABRO O=C(C[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2)N1CCCC1 ZINC000096048170 218535691 /nfs/dbraw/zinc/53/56/91/218535691.db2.gz RGRQXLWERHYGJX-KRWDZBQOSA-N 1 0 348.512 3.132 40 0 EGABRO Cc1cccc(C(=O)N2CC3(CC[NH2+]CC3)c3cc(Cl)ccc32)n1 ZINC000096156937 218630667 /nfs/dbraw/zinc/63/06/67/218630667.db2.gz NOAKFQLGSWTYOM-UHFFFAOYSA-N 1 0 341.842 3.325 40 0 EGABRO CC[NH+](CC)CC1CCN(C(=O)c2cccc(-n3ccnc3)c2)CC1 ZINC000096410066 218763137 /nfs/dbraw/zinc/76/31/37/218763137.db2.gz PMUDEYYXPVDYFQ-UHFFFAOYSA-N 1 0 340.471 3.066 40 0 EGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C[NH3+])[C@@H]2c2cccc(Cl)c2)cc1 ZINC000218575647 292186239 /nfs/dbraw/zinc/18/62/39/292186239.db2.gz MSSKORCPQJSSRX-YESZJQIVSA-N 1 0 335.856 3.163 40 0 EGABRO Cn1c2ccc(CN3CCC[C@H]([NH+]4CCCC4)CC3)cc2sc1=O ZINC000195028917 153374334 /nfs/dbraw/zinc/37/43/34/153374334.db2.gz LKVUYRIKPMHINE-INIZCTEOSA-N 1 0 345.512 3.050 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000248385111 277186614 /nfs/dbraw/zinc/18/66/14/277186614.db2.gz HFOOVDIVYJYHGI-NXOAAHMSSA-N 1 0 338.492 3.323 40 0 EGABRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000249069232 279368401 /nfs/dbraw/zinc/36/84/01/279368401.db2.gz ZYKJWEFSYHANEP-KBMXLJTQSA-N 1 0 348.491 3.035 40 0 EGABRO COC[C@@H](C)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000097103907 323215136 /nfs/dbraw/zinc/21/51/36/323215136.db2.gz GAEPOCZGJCIDPY-ZDUSSCGKSA-N 1 0 342.277 3.327 40 0 EGABRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)Cc1cccc(F)c1 ZINC000154028682 323221371 /nfs/dbraw/zinc/22/13/71/323221371.db2.gz OENBRZOZSIEHKT-UHFFFAOYSA-N 1 0 336.432 3.138 40 0 EGABRO CCCCn1ncc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000156538574 323222252 /nfs/dbraw/zinc/22/22/52/323222252.db2.gz PLCQDBOJAGNLLM-KRWDZBQOSA-N 1 0 347.507 3.331 40 0 EGABRO FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+]Cc3cncs3)C2)c1 ZINC000240894813 455265778 /nfs/dbraw/zinc/26/57/78/455265778.db2.gz IQCGITZJVYSGRS-NSHDSACASA-N 1 0 343.374 3.410 40 0 EGABRO CCCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003179599 452745876 /nfs/dbraw/zinc/74/58/76/452745876.db2.gz YRLIENNWQSKHDM-UHFFFAOYSA-N 1 0 332.897 3.129 40 0 EGABRO C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)[C@H]2c1ccccc1 ZINC000005063906 452834301 /nfs/dbraw/zinc/83/43/01/452834301.db2.gz LCVKLTSVIZBQFL-LJQANCHMSA-N 1 0 348.446 3.051 40 0 EGABRO CC(=O)OC[C@@]12CO[C@@H](C[NH+]3CCCCC3)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C ZINC000005529061 452881057 /nfs/dbraw/zinc/88/10/57/452881057.db2.gz DMZHTDDKCJBBRN-CZKCSJLSSA-N 1 0 335.488 3.269 40 0 biogenic EGABRO Cc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1CC(C)C ZINC000007030635 453019584 /nfs/dbraw/zinc/01/95/84/453019584.db2.gz ZVODNCITGSFBRQ-QGZVFWFLSA-N 1 0 336.443 3.207 40 0 EGABRO CCCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 ZINC000007261275 453051576 /nfs/dbraw/zinc/05/15/76/453051576.db2.gz ZNHOTLCRCNXSQO-UHFFFAOYSA-N 1 0 336.476 3.269 40 0 EGABRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2csc(-c3ccccc3)n2)N1 ZINC000012547699 453371533 /nfs/dbraw/zinc/37/15/33/453371533.db2.gz NHUHDPKIGQBZII-OAHLLOKOSA-N 1 0 346.419 3.256 40 0 EGABRO Cc1cc2nc([C@H]3CCC[N@H+](CCc4ccccc4)C3)cc(N)n2n1 ZINC000019129175 453654283 /nfs/dbraw/zinc/65/42/83/453654283.db2.gz PMVGHCOUYVTJGO-KRWDZBQOSA-N 1 0 335.455 3.042 40 0 EGABRO O=C1NC[C@@H]([C@@H]2CCC[N@H+](Cc3ccccc3)C2)Oc2ccccc21 ZINC000019371932 453656371 /nfs/dbraw/zinc/65/63/71/453656371.db2.gz GGNONQJFXASSTJ-XLIONFOSSA-N 1 0 336.435 3.090 40 0 EGABRO Oc1cccc(C[N@@H+]2CCC[C@@H](c3noc(-c4ccccn4)n3)C2)c1 ZINC000019402980 453656834 /nfs/dbraw/zinc/65/68/34/453656834.db2.gz SQWPLQWMABNFIQ-OAHLLOKOSA-N 1 0 336.395 3.217 40 0 EGABRO O=C(CNC1(c2nccs2)CCCC1)N1CCc2ccccc21 ZINC000081594460 453892621 /nfs/dbraw/zinc/89/26/21/453892621.db2.gz FUTCNBKVKPAIRH-UHFFFAOYSA-N 1 0 327.453 3.091 40 0 EGABRO CSc1ncccc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000032848474 453893857 /nfs/dbraw/zinc/89/38/57/453893857.db2.gz NKXDPNGCFRUHHK-UHFFFAOYSA-N 1 0 341.480 3.152 40 0 EGABRO COc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)cc1F ZINC000089627163 454169584 /nfs/dbraw/zinc/16/95/84/454169584.db2.gz IFPOBELISFRCQA-CYBMUJFWSA-N 1 0 338.423 3.494 40 0 EGABRO CC1(C)[C@@H]2C[C@H]1C(COC[C@H](O)C[N@@H+]1CCc3ccccc3C1)=CC2 ZINC000058407786 454200239 /nfs/dbraw/zinc/20/02/39/454200239.db2.gz DCHBVYQEDRWVSH-HBMCJLEFSA-N 1 0 341.495 3.415 40 0 EGABRO c1coc(C[N@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c1 ZINC000096056431 454274562 /nfs/dbraw/zinc/27/45/62/454274562.db2.gz FLOUVMNXFCNXPP-GUDVDZBRSA-N 1 0 328.412 3.013 40 0 EGABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)c3cccs3)C[C@H]12 ZINC000096058432 454276267 /nfs/dbraw/zinc/27/62/67/454276267.db2.gz ZWCRZQUNDFXQRC-PKOBYXMFSA-N 1 0 326.465 3.236 40 0 EGABRO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)c1 ZINC000096089020 454281552 /nfs/dbraw/zinc/28/15/52/454281552.db2.gz TXQRWMJDTMOIPL-PWRODBHTSA-N 1 0 345.483 3.170 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)o1 ZINC000096107330 454284537 /nfs/dbraw/zinc/28/45/37/454284537.db2.gz IZSSLTRKTRSYCL-UXHICEINSA-N 1 0 342.439 3.323 40 0 EGABRO c1cc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cs1 ZINC000096107296 454285000 /nfs/dbraw/zinc/28/50/00/454285000.db2.gz RZMQWTJIQKXPCX-MOPGFXCFSA-N 1 0 344.480 3.483 40 0 EGABRO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000096145643 454292960 /nfs/dbraw/zinc/29/29/60/454292960.db2.gz ASDLWPDCMVEIRM-MSOLQXFVSA-N 1 0 330.435 3.254 40 0 EGABRO Cn1cccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC000096158134 454295797 /nfs/dbraw/zinc/29/57/97/454295797.db2.gz WYGBSVSZNLMWAJ-LJQANCHMSA-N 1 0 343.496 3.215 40 0 EGABRO COCCC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096158414 454295827 /nfs/dbraw/zinc/29/58/27/454295827.db2.gz VVKHTCMZCQLAQU-UHFFFAOYSA-N 1 0 348.462 3.067 40 0 EGABRO Fc1ccccc1C[N@@H+]1C[C@H](OCC2CCOCC2)[C@H]2OCCC[C@H]21 ZINC000096187087 454299635 /nfs/dbraw/zinc/29/96/35/454299635.db2.gz PXJBSNMXDNSFEI-AABGKKOBSA-N 1 0 349.446 3.001 40 0 EGABRO Cc1nc(COC[C@H]2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccco3)O2)cs1 ZINC000096186765 454299992 /nfs/dbraw/zinc/29/99/92/454299992.db2.gz MLWKHHXBNBOTTH-SQNIBIBYSA-N 1 0 348.468 3.383 40 0 EGABRO c1cc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)cs1 ZINC000096208362 454304092 /nfs/dbraw/zinc/30/40/92/454304092.db2.gz VQAQJCWWUORPAZ-AEFFLSMTSA-N 1 0 344.484 3.021 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccnc4)C3)C2)s1 ZINC000096239103 454310753 /nfs/dbraw/zinc/31/07/53/454310753.db2.gz RKMMRKHODKCLFT-SFHVURJKSA-N 1 0 327.453 3.081 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccccc2)C[C@]12CCN(c1cnccn1)C2 ZINC000096239721 454311826 /nfs/dbraw/zinc/31/18/26/454311826.db2.gz XKWNHACAZPYHFN-SFHVURJKSA-N 1 0 344.409 3.214 40 0 EGABRO CNC(=O)C[C@H]1CC2(CC[NH+](CC(C)C)CC2)c2cc(F)ccc21 ZINC000096241815 454311861 /nfs/dbraw/zinc/31/18/61/454311861.db2.gz HZMPGIKOTJJAHO-HNNXBMFYSA-N 1 0 332.463 3.439 40 0 EGABRO COCC[NH+]1CCC(NC(=O)C2(c3cccc(C)c3)CCCC2)CC1 ZINC000096403267 454322281 /nfs/dbraw/zinc/32/22/81/454322281.db2.gz OMGXEIFEARFCJK-UHFFFAOYSA-N 1 0 344.499 3.034 40 0 EGABRO Cc1ccc(NC(=O)c2cnn(C(C)(C)C)c2)c(OCC[NH+](C)C)c1 ZINC000096414611 454331272 /nfs/dbraw/zinc/33/12/72/454331272.db2.gz KFMDEDQCHWWAEZ-UHFFFAOYSA-N 1 0 344.459 3.139 40 0 EGABRO CNC(=O)c1ccc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)cc1 ZINC000096421205 454336872 /nfs/dbraw/zinc/33/68/72/454336872.db2.gz UXTXARSTIRJQFB-UHFFFAOYSA-N 1 0 337.467 3.431 40 0 EGABRO CNC(=O)CC[N@H+](C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000096424557 454338371 /nfs/dbraw/zinc/33/83/71/454338371.db2.gz SBFZGPWHTQPOAK-OAHLLOKOSA-N 1 0 326.440 3.491 40 0 EGABRO CC(=O)Nc1cccc(C[N@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)c1 ZINC000096424431 454338443 /nfs/dbraw/zinc/33/84/43/454338443.db2.gz WQWYUZZIFDGETI-HXUWFJFHSA-N 1 0 342.414 3.482 40 0 EGABRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)cn1 ZINC000096432957 454343447 /nfs/dbraw/zinc/34/34/47/454343447.db2.gz UXCZYHRIPWGRKU-INIZCTEOSA-N 1 0 343.858 3.329 40 0 EGABRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)cn1 ZINC000096432958 454343587 /nfs/dbraw/zinc/34/35/87/454343587.db2.gz UXCZYHRIPWGRKU-MRXNPFEDSA-N 1 0 343.858 3.329 40 0 EGABRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc(N3CCCC3)c2)CC[N@@H+]1C ZINC000096434432 454345654 /nfs/dbraw/zinc/34/56/54/454345654.db2.gz NAAWBLWANQAWPT-RHSMWYFYSA-N 1 0 348.466 3.372 40 0 EGABRO CSc1ccc(OCC[NH+]2CCC(C(=O)NC(C)C)CC2)cc1 ZINC000096441393 454350378 /nfs/dbraw/zinc/35/03/78/454350378.db2.gz UYNUAFJMKUXPFK-UHFFFAOYSA-N 1 0 336.501 3.024 40 0 EGABRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccsc1 ZINC000096441194 454350423 /nfs/dbraw/zinc/35/04/23/454350423.db2.gz VIANHUJPQHZPJX-UHFFFAOYSA-N 1 0 345.468 3.151 40 0 EGABRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(F)c(-n3cccc3)c2)C1 ZINC000096453146 454356353 /nfs/dbraw/zinc/35/63/53/454356353.db2.gz PVBCOVWNLFIMLZ-HNNXBMFYSA-N 1 0 344.434 3.422 40 0 EGABRO CCc1noc(CC)c1CC(=O)Nc1c[nH+]ccc1N1CCCCC1 ZINC000096461573 454359533 /nfs/dbraw/zinc/35/95/33/454359533.db2.gz XUXPGVUCMVGSRX-UHFFFAOYSA-N 1 0 342.443 3.366 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[C@@H](SCC)C2)CC1 ZINC000096465847 454360751 /nfs/dbraw/zinc/36/07/51/454360751.db2.gz NYLINVYPSNDBJB-HZPDHXFCSA-N 1 0 327.538 3.176 40 0 EGABRO c1ncn(-c2ccc(CNc3ccccc3C[NH+]3CCCC3)cc2)n1 ZINC000096482784 454365025 /nfs/dbraw/zinc/36/50/25/454365025.db2.gz NUUKSKUGVFFXAP-UHFFFAOYSA-N 1 0 333.439 3.475 40 0 EGABRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NCC2=CCCOC2)cc1 ZINC000096482623 454365131 /nfs/dbraw/zinc/36/51/31/454365131.db2.gz AMWJJTXLFQDOIM-UHFFFAOYSA-N 1 0 343.471 3.260 40 0 EGABRO COc1ccc(C)cc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000097101080 454406530 /nfs/dbraw/zinc/40/65/30/454406530.db2.gz HAJXCNGJSPVQNN-INIZCTEOSA-N 1 0 331.460 3.343 40 0 EGABRO C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1nccs1 ZINC000097378823 454435896 /nfs/dbraw/zinc/43/58/96/454435896.db2.gz GFABNTBMLOOSDT-YCPHGPKFSA-N 1 0 344.484 3.024 40 0 EGABRO CCSCc1ccnc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)c1 ZINC000102317129 454500035 /nfs/dbraw/zinc/50/00/35/454500035.db2.gz UAJDIXGHUOEARQ-UHFFFAOYSA-N 1 0 346.500 3.203 40 0 EGABRO CN(C(=O)CCc1cccnc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074447092 454583227 /nfs/dbraw/zinc/58/32/27/454583227.db2.gz PQVVYAATHVRXTE-HXUWFJFHSA-N 1 0 337.467 3.137 40 0 EGABRO COc1ccsc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000105946344 454670309 /nfs/dbraw/zinc/67/03/09/454670309.db2.gz FLVAUJXLBZJWJT-UHFFFAOYSA-N 1 0 334.441 3.086 40 0 EGABRO Cc1ncsc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000107712066 454770012 /nfs/dbraw/zinc/77/00/12/454770012.db2.gz SEWYPOTXDYBQCO-MSOLQXFVSA-N 1 0 336.501 3.249 40 0 EGABRO Cn1ccnc1[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)C1CC1 ZINC000127672184 454986738 /nfs/dbraw/zinc/98/67/38/454986738.db2.gz HODWCJCACDMFBW-RHSMWYFYSA-N 1 0 332.398 3.018 40 0 EGABRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC(C(F)(F)F)CC1 ZINC000176013225 455527695 /nfs/dbraw/zinc/52/76/95/455527695.db2.gz SDZCXLQXBWFQGD-UHFFFAOYSA-N 1 0 347.425 3.377 40 0 EGABRO c1csc(C[N@H+]2CC[C@@H]3[C@H](CC2)OCCN3c2cccnc2)c1 ZINC000247856765 455649978 /nfs/dbraw/zinc/64/99/78/455649978.db2.gz XUCSKECROGLCQN-MSOLQXFVSA-N 1 0 329.469 3.013 40 0 EGABRO c1cc2n(n1)[C@H](CCOCC1CCOCC1)C[N@H+](CC1CCCC1)C2 ZINC000248338485 455705065 /nfs/dbraw/zinc/70/50/65/455705065.db2.gz RMFYREOXRGDIDQ-HXUWFJFHSA-N 1 0 347.503 3.263 40 0 EGABRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(OCC4CC4)cc3)[C@H]2C1 ZINC000248814905 455732821 /nfs/dbraw/zinc/73/28/21/455732821.db2.gz DJYZYXDULUFRIZ-AABGKKOBSA-N 1 0 331.456 3.244 40 0 EGABRO COC[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(Cl)cc1 ZINC000193967085 455789509 /nfs/dbraw/zinc/78/95/09/455789509.db2.gz YBYLWJVTANIRBG-QGZVFWFLSA-N 1 0 342.830 3.398 40 0 EGABRO Cc1ccc(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)s1 ZINC000186584347 455798846 /nfs/dbraw/zinc/79/88/46/455798846.db2.gz RWEYUCOXTPULTO-INIZCTEOSA-N 1 0 329.469 3.236 40 0 EGABRO Cn1nc(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c2ccccc21 ZINC000194182159 455812530 /nfs/dbraw/zinc/81/25/30/455812530.db2.gz HQEFWHCBCCCZCV-ATZDWAIDSA-N 1 0 325.456 3.053 40 0 EGABRO C[C@H](c1ccccn1)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000252499786 455815493 /nfs/dbraw/zinc/81/54/93/455815493.db2.gz SEGQCFTUXAQXQO-GOSISDBHSA-N 1 0 331.504 3.357 40 0 EGABRO COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000252537134 455820327 /nfs/dbraw/zinc/82/03/27/455820327.db2.gz KKFLYCQTSJXWSB-UXHICEINSA-N 1 0 341.451 3.410 40 0 EGABRO Cc1nc(C2CC2)oc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000253420635 455844612 /nfs/dbraw/zinc/84/46/12/455844612.db2.gz ZIWSHANXQKELEB-DYVFJYSZSA-N 1 0 339.439 3.253 40 0 EGABRO C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@H]2[NH2+]CCO ZINC000253499167 455850914 /nfs/dbraw/zinc/85/09/14/455850914.db2.gz CYTBXDOJKXVHPC-GAJPOIFQSA-N 1 0 335.532 3.341 40 0 biogenic EGABRO C[N@@H+]1CCC[C@@H]2N(C(=O)C(C)(C)Oc3ccc(F)cc3)CCC[C@@]21C ZINC000257290864 455884273 /nfs/dbraw/zinc/88/42/73/455884273.db2.gz QEQJQYUGTQREIN-PXNSSMCTSA-N 1 0 348.462 3.458 40 0 EGABRO COc1ccccc1C[N@@H+]1CCC[C@H]1c1ccnc(CNC(C)=O)c1 ZINC000257298604 455885146 /nfs/dbraw/zinc/88/51/46/455885146.db2.gz RMLQXSFAWOCGFI-IBGZPJMESA-N 1 0 339.439 3.063 40 0 EGABRO Cc1occc1C(=O)N(c1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257297352 455885405 /nfs/dbraw/zinc/88/54/05/455885405.db2.gz RGWVSQDAGZHKCC-QGZVFWFLSA-N 1 0 340.423 3.146 40 0 EGABRO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2CCc2ccc(F)cc2)ccn1 ZINC000257330530 455893576 /nfs/dbraw/zinc/89/35/76/455893576.db2.gz XOTQTXUVSPHHPO-FQEVSTJZSA-N 1 0 341.430 3.236 40 0 EGABRO Cc1cc(C(F)(F)F)nc(C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000257333195 455894429 /nfs/dbraw/zinc/89/44/29/455894429.db2.gz YAOMEIWBRFFVRH-KBPBESRZSA-N 1 0 343.393 3.287 40 0 EGABRO O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257342760 455895711 /nfs/dbraw/zinc/89/57/11/455895711.db2.gz ZQBCKJBVKCHYEV-DZGCQCFKSA-N 1 0 326.362 3.310 40 0 EGABRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2cn3cccc(C)c3n2)cc1 ZINC000195557673 455984704 /nfs/dbraw/zinc/98/47/04/455984704.db2.gz MKPGCMMGZRJTOV-HNNXBMFYSA-N 1 0 336.439 3.494 40 0 EGABRO COc1ccccc1[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)C(C)(C)C ZINC000195570479 455987065 /nfs/dbraw/zinc/98/70/65/455987065.db2.gz JGQPGRCBSNYEHB-CRAIPNDOSA-N 1 0 347.503 3.376 40 0 EGABRO COc1ccc(Cl)cc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000225038640 456072317 /nfs/dbraw/zinc/07/23/17/456072317.db2.gz SORIESODVSKWTA-ZIAGYGMSSA-N 1 0 338.879 3.446 40 0 EGABRO COc1cccc([C@H](NC(=O)[C@@H]2CC[NH2+]C2)c2ccccc2Cl)c1 ZINC000225473577 456086186 /nfs/dbraw/zinc/08/61/86/456086186.db2.gz XDTQTMDOXWYXEO-KDOFPFPSSA-N 1 0 344.842 3.164 40 0 EGABRO COc1cc(-c2noc(C[N@@H+]3CCC[C@H]3C)n2)cc(Cl)c1OC ZINC000225494494 456089116 /nfs/dbraw/zinc/08/91/16/456089116.db2.gz NAEDSHNUFAVEEM-SNVBAGLBSA-N 1 0 337.807 3.392 40 0 EGABRO C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCC[NH+]1CCCCC1 ZINC000225527588 456090973 /nfs/dbraw/zinc/09/09/73/456090973.db2.gz FIUINLMYKHFHOY-QGZVFWFLSA-N 1 0 344.499 3.325 40 0 EGABRO CC(C)(C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1)N1CCOCC1 ZINC000225577882 456095245 /nfs/dbraw/zinc/09/52/45/456095245.db2.gz BAFYWHXORZLTGP-IBGZPJMESA-N 1 0 343.446 3.011 40 0 EGABRO CC[N@H+]1CC=C(c2nn3c(nnc3-c3ccc(C)cc3)s2)CC1 ZINC000226250188 456107945 /nfs/dbraw/zinc/10/79/45/456107945.db2.gz NMTWSHIPLNXWEN-UHFFFAOYSA-N 1 0 325.441 3.270 40 0 EGABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2nccc3ccccc32)cc1 ZINC000299850462 456782523 /nfs/dbraw/zinc/78/25/23/456782523.db2.gz HSMPGWVIXHOPSS-LJQANCHMSA-N 1 0 347.418 3.030 40 0 EGABRO COc1ccccc1C[NH2+][C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585289607 459833787 /nfs/dbraw/zinc/83/37/87/459833787.db2.gz SEPOFHNAHUGTIY-DFQSSKMNSA-N 1 0 345.414 3.285 40 0 EGABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000216234093 536048351 /nfs/dbraw/zinc/04/83/51/536048351.db2.gz USHCJXMIVMNYEZ-KRWDZBQOSA-N 1 0 338.879 3.490 40 0 EGABRO COc1cccc(N2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)c1 ZINC000678122082 549400292 /nfs/dbraw/zinc/40/02/92/549400292.db2.gz FTEPYZNWCDSHEG-KRWDZBQOSA-N 1 0 338.451 3.384 40 0 EGABRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000059807443 1291917118 /nfs/dbraw/zinc/91/71/18/1291917118.db2.gz QAQIPFPQZRXDMA-CRAIPNDOSA-N 1 0 341.407 3.196 40 0 EGABRO COc1cc2cccnc2c(NC[C@@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000004522437 210213904 /nfs/dbraw/zinc/21/39/04/210213904.db2.gz HEMGDCRRUCBIJT-BFYDXBDKSA-N 1 0 343.471 3.279 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169637 213992094 /nfs/dbraw/zinc/99/20/94/213992094.db2.gz RVIVFQZLUGVZBY-INIZCTEOSA-N 1 0 336.395 3.130 40 0 biogenic,in-vitro EGABRO CCC[NH2+]C[C@@H](O)COc1ccsc1C(=O)CCc1ccccc1 ZINC000003851276 210080799 /nfs/dbraw/zinc/08/07/99/210080799.db2.gz QRTLOSXXNXCUKQ-MRXNPFEDSA-N 1 0 347.480 3.303 40 0 EGABRO CC[N@@H+]1CCC[C@](O)(CN(Cc2ccco2)Cc2cccs2)C1 ZINC000040714629 213372836 /nfs/dbraw/zinc/37/28/36/213372836.db2.gz IIDAWUUMUFXJQS-GOSISDBHSA-N 1 0 334.485 3.190 40 0 EGABRO Cc1cc(Br)ccc1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000040103637 213264714 /nfs/dbraw/zinc/26/47/14/213264714.db2.gz JXMUTSXLMPMHMK-UHFFFAOYSA-N 1 0 340.265 3.315 40 0 EGABRO CCOCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038856810 213228068 /nfs/dbraw/zinc/22/80/68/213228068.db2.gz HNDYLGCGNCGTGA-INIZCTEOSA-N 1 0 338.879 3.095 40 0 EGABRO O=c1[nH]ncc(NCc2ccccc2C[NH+]2CCCCC2)c1Cl ZINC000032806479 212846636 /nfs/dbraw/zinc/84/66/36/212846636.db2.gz YQUYGANVTFLHFS-UHFFFAOYSA-N 1 0 332.835 3.021 40 0 EGABRO CC[NH+](CC)CCNC(=O)c1ccc(COc2ccccc2C)o1 ZINC000032502510 212806209 /nfs/dbraw/zinc/80/62/09/212806209.db2.gz WKCCYLBVPJBFOV-UHFFFAOYSA-N 1 0 330.428 3.239 40 0 EGABRO [NH3+][C@@H]1C[C@@]2(CCC(=O)N(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000072327735 216152433 /nfs/dbraw/zinc/15/24/33/216152433.db2.gz CMEIMTLPZKIBHJ-NQIIRXRSSA-N 1 0 336.435 3.420 40 0 EGABRO Cc1nc([C@H]2CCCC[N@@H+]2C2CCCCC2)ncc1C(=O)N(C)C ZINC000072345470 216159173 /nfs/dbraw/zinc/15/91/73/216159173.db2.gz QBNZPHQBUIEBPF-QGZVFWFLSA-N 1 0 330.476 3.347 40 0 EGABRO Cc1nc(Nc2ncccn2)cc([C@@H]2CC[N@H+](CC(C)(C)C)C2)n1 ZINC000072383653 216183810 /nfs/dbraw/zinc/18/38/10/216183810.db2.gz ZUFRRCDDEWCBIY-CQSZACIVSA-N 1 0 326.448 3.154 40 0 EGABRO CC(C)[N@@H+]1CCC[C@H](Cc2ccc(NCCc3ccncc3)nn2)C1 ZINC000072387417 216187130 /nfs/dbraw/zinc/18/71/30/216187130.db2.gz GEGZRBSURQTVPR-GOSISDBHSA-N 1 0 339.487 3.189 40 0 EGABRO O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(-c2cccnc2)[nH]1 ZINC000072392756 216190649 /nfs/dbraw/zinc/19/06/49/216190649.db2.gz HUGMDGKTFDDCRY-UHFFFAOYSA-N 1 0 347.422 3.019 40 0 EGABRO Cc1ccc(/C=C/C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000023181547 212358698 /nfs/dbraw/zinc/35/86/98/212358698.db2.gz UBAHEHWSIQCQCC-DTEKQVELSA-N 1 0 336.501 3.074 40 0 EGABRO CC[NH+](CC)CCN(C)[C@](O)(C(=O)c1ccccc1)C1CCCCC1 ZINC000022859787 212329520 /nfs/dbraw/zinc/32/95/20/212329520.db2.gz KTGWDRXREWABPW-OAQYLSRUSA-N 1 0 346.515 3.412 40 0 EGABRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2c(s1)CCC2 ZINC000195555950 241004783 /nfs/dbraw/zinc/00/47/83/241004783.db2.gz DYPMITOOLSWLGO-NWDGAFQWSA-N 1 0 337.489 3.292 40 0 EGABRO Cc1ccc(-c2csc3ncn(CCC[NH+](C)C)c(=O)c23)cc1 ZINC000021790208 212250473 /nfs/dbraw/zinc/25/04/73/212250473.db2.gz OZXQWNKZHKTOMD-UHFFFAOYSA-N 1 0 327.453 3.385 40 0 EGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc3c(c2)OCO3)C1 ZINC000225727842 242006547 /nfs/dbraw/zinc/00/65/47/242006547.db2.gz BMVVCMCAWLIHMB-OKILXGFUSA-N 1 0 349.500 3.070 40 0 EGABRO CC(C)OCCCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020488777 212138254 /nfs/dbraw/zinc/13/82/54/212138254.db2.gz ABZQQLPTRNRLBA-KRWDZBQOSA-N 1 0 332.488 3.463 40 0 EGABRO Cc1cccc(O[C@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)c1C ZINC000020454505 212131730 /nfs/dbraw/zinc/13/17/30/212131730.db2.gz BGVCOFXMZBSTCL-GOSISDBHSA-N 1 0 332.488 3.309 40 0 EGABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCCc2cccc(F)c2)c1 ZINC000257203638 244128549 /nfs/dbraw/zinc/12/85/49/244128549.db2.gz AQYPVFXXOUXMCT-UHFFFAOYSA-N 1 0 349.409 3.319 40 0 EGABRO C[NH+](C)CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257220702 244181780 /nfs/dbraw/zinc/18/17/80/244181780.db2.gz DLTYZBOGKCRYGB-KRWDZBQOSA-N 1 0 345.418 3.020 40 0 EGABRO Cc1c[nH]c(-c2cncc(C3CC[NH+](Cc4cncs4)CC3)n2)n1 ZINC000257234140 244221910 /nfs/dbraw/zinc/22/19/10/244221910.db2.gz GSIUUBALQVUQIC-UHFFFAOYSA-N 1 0 340.456 3.011 40 0 EGABRO Cc1nc[nH]c1C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257233712 244222316 /nfs/dbraw/zinc/22/23/16/244222316.db2.gz GQJIJDWRVXIPNE-PMACEKPBSA-N 1 0 341.455 3.058 40 0 EGABRO CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@@H+]2Cc1cccnc1 ZINC000257257853 244286693 /nfs/dbraw/zinc/28/66/93/244286693.db2.gz KRIWZSIDERGQQR-FKBYEOEOSA-N 1 0 349.478 3.451 40 0 EGABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCCC[NH+]1CCCCC1 ZINC000020105261 212101162 /nfs/dbraw/zinc/10/11/62/212101162.db2.gz BHUAXIFJCAWPLG-INIZCTEOSA-N 1 0 338.879 3.490 40 0 EGABRO Cc1nc([C@H]2CCC[NH2+]C2)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000257273513 244387066 /nfs/dbraw/zinc/38/70/66/244387066.db2.gz NGWSORPRCUERBK-INIZCTEOSA-N 1 0 340.446 3.344 40 0 EGABRO Cc1ccc(C(=O)N2CCC[C@@H]2c2ccnc(C[NH+](C)C)c2)s1 ZINC000257277425 244396869 /nfs/dbraw/zinc/39/68/69/244396869.db2.gz NXXCLSGINLBTCZ-MRXNPFEDSA-N 1 0 329.469 3.490 40 0 EGABRO Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@@H]2CCC[NH2+]C2)sc1C ZINC000019559692 212043009 /nfs/dbraw/zinc/04/30/09/212043009.db2.gz PPBZBMORXNPQHN-HUUCEWRRSA-N 1 0 349.525 3.221 40 0 EGABRO C[C@@H]1C[C@@H]1C(=O)N(C)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019462657 212031408 /nfs/dbraw/zinc/03/14/08/212031408.db2.gz XYXLQFRGOUIUPI-BQSYYEAHSA-N 1 0 342.483 3.307 40 0 EGABRO CC[C@@H](c1nnnn1C1CCCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019500614 212033707 /nfs/dbraw/zinc/03/37/07/212033707.db2.gz ZRSBGCKVXBWYKF-SFHVURJKSA-N 1 0 346.523 3.190 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000019500947 212033156 /nfs/dbraw/zinc/03/31/56/212033156.db2.gz GWIKTCAIDIIMEL-CRAIPNDOSA-N 1 0 340.471 3.491 40 0 EGABRO CC(C)[C@@H](c1nnnn1C(C)(C)C)N1CC[NH+](C2CCCCC2)CC1 ZINC000019445941 212028562 /nfs/dbraw/zinc/02/85/62/212028562.db2.gz OREKLYJBCGAAFA-KRWDZBQOSA-N 1 0 348.539 3.076 40 0 EGABRO O=c1cc(C2CC[NH+](CC3CCCC3)CC2)nc(-c2cccnc2)[nH]1 ZINC000019340895 212018774 /nfs/dbraw/zinc/01/87/74/212018774.db2.gz KTHHWXGKCFSEPI-UHFFFAOYSA-N 1 0 338.455 3.202 40 0 EGABRO O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019292250 212011440 /nfs/dbraw/zinc/01/14/40/212011440.db2.gz LSQQIPQBHLDSGJ-GOSISDBHSA-N 1 0 342.487 3.146 40 0 EGABRO O=C(C[C@@H]1OCCc2ccccc21)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000079361808 217216695 /nfs/dbraw/zinc/21/66/95/217216695.db2.gz OCDXOZLLNJDSLV-QUCCMNQESA-N 1 0 342.483 3.167 40 0 EGABRO COc1ccc(CC(=O)N2CCCC[C@H]2C[NH+]2CCCCC2)cc1C ZINC000012360940 211355207 /nfs/dbraw/zinc/35/52/07/211355207.db2.gz VPPNQPSGQIFGNA-IBGZPJMESA-N 1 0 344.499 3.413 40 0 EGABRO O[C@]1(c2cccnc2)CCC[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000012337137 211351232 /nfs/dbraw/zinc/35/12/32/211351232.db2.gz GCEVUISTTAMAGY-KNBMTAEXSA-N 1 0 344.405 3.480 40 0 EGABRO Cc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000012327774 211348879 /nfs/dbraw/zinc/34/88/79/211348879.db2.gz VKBSLWNCHMXRLL-IBGZPJMESA-N 1 0 329.415 3.151 40 0 EGABRO O[C@@H](C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000012292414 211335790 /nfs/dbraw/zinc/33/57/90/211335790.db2.gz PUWDTYNUXRVIEL-SFHVURJKSA-N 1 0 349.833 3.496 40 0 EGABRO COc1cccc([C@H](O)C[NH+]2CCC(O)(c3cccc(C)c3)CC2)c1 ZINC000012292546 211334978 /nfs/dbraw/zinc/33/49/78/211334978.db2.gz YVKUUAXJNSGHPW-HXUWFJFHSA-N 1 0 341.451 3.021 40 0 EGABRO CC[NH+](CC)C[C@H]1CCCN(C(=O)CCn2ccc3ccncc32)C1 ZINC000012144285 211305226 /nfs/dbraw/zinc/30/52/26/211305226.db2.gz TXNHZRVAGQZVPI-QGZVFWFLSA-N 1 0 342.487 3.007 40 0 EGABRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000093360992 218217987 /nfs/dbraw/zinc/21/79/87/218217987.db2.gz ZYJPSCMWBXADAW-KRWDZBQOSA-N 1 0 339.439 3.140 40 0 EGABRO COc1ccc(OC(F)F)c(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000093644346 218238699 /nfs/dbraw/zinc/23/86/99/218238699.db2.gz BLHJUEGOKIKWBM-JSGCOSHPSA-N 1 0 328.403 3.211 40 0 EGABRO CCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000095431993 218375234 /nfs/dbraw/zinc/37/52/34/218375234.db2.gz ONIHBFNKQYVQDW-DOTOQJQBSA-N 1 0 349.862 3.264 40 0 EGABRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1nc2ccccc2n1C ZINC000095448861 218392605 /nfs/dbraw/zinc/39/26/05/218392605.db2.gz CYNFPYSBPXAGLL-UGSOOPFHSA-N 1 0 327.403 3.314 40 0 EGABRO O=C1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccsc3)CC2)N1 ZINC000096061415 218554738 /nfs/dbraw/zinc/55/47/38/218554738.db2.gz QSMWDTYVAVROMP-QGZVFWFLSA-N 1 0 326.465 3.386 40 0 EGABRO C[N@@H+]1CC[C@@H](CSC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000005047893 210374922 /nfs/dbraw/zinc/37/49/22/210374922.db2.gz WVGFMVMRLGYKNG-MRXNPFEDSA-N 1 0 341.476 3.134 40 0 EGABRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000097379792 219020013 /nfs/dbraw/zinc/02/00/13/219020013.db2.gz JOUJQYFLIIHUSD-KBPBESRZSA-N 1 0 325.840 3.270 40 0 EGABRO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000019338227 285241840 /nfs/dbraw/zinc/24/18/40/285241840.db2.gz LBYKRZHCMRWGKK-UFRUDQCGSA-N 1 0 326.415 3.340 40 0 EGABRO CCOc1ccc(-c2nnc([C@@H]([NH3+])Cc3ccccc3)[nH]2)cc1OC ZINC000095534939 257700147 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EGABRO CCOc1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000007027244 453018425 /nfs/dbraw/zinc/01/84/25/453018425.db2.gz HNMMDLBKDSFYJV-UHFFFAOYSA-N 1 0 335.517 3.494 40 0 EGABRO CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCO2)cc1OC ZINC000008253354 453182281 /nfs/dbraw/zinc/18/22/81/453182281.db2.gz DRBGGIZPKMKANQ-GFCCVEGCSA-N 1 0 344.249 3.125 40 0 EGABRO COc1cc(CNCCC[NH+](C)C)ccc1OCc1ccccc1 ZINC000008373860 453197552 /nfs/dbraw/zinc/19/75/52/453197552.db2.gz BXUJTTKNKMBPGL-UHFFFAOYSA-N 1 0 328.456 3.316 40 0 EGABRO C/C1=C\CC/C(C)=C/[C@@H](O)[C@@H]2[C@@H](C[NH+]3CCCCC3)C(=O)O[C@H]2C1 ZINC000012656690 453388497 /nfs/dbraw/zinc/38/84/97/453388497.db2.gz PBRLWNMMGXHHMD-PETJAGBLSA-N 1 0 333.472 3.068 40 0 EGABRO CCC[NH2+]Cc1ccc(-c2ccc(S(=O)(=O)NC(C)C)cc2)o1 ZINC000014160591 453512741 /nfs/dbraw/zinc/51/27/41/453512741.db2.gz GTLOWHTXQRMHQF-UHFFFAOYSA-N 1 0 336.457 3.133 40 0 EGABRO COC(=O)c1ccc(C[NH+]2CCC(Cn3nc(C)cc3C)CC2)cc1 ZINC000075154727 453867049 /nfs/dbraw/zinc/86/70/49/453867049.db2.gz LGZQGWJCYWWVJB-UHFFFAOYSA-N 1 0 341.455 3.199 40 0 EGABRO C[NH+](C)CCCOc1c(F)cc(NC(=O)[C@@H]2CCCS2)cc1F ZINC000075196553 453870577 /nfs/dbraw/zinc/87/05/77/453870577.db2.gz XDERKVLXGNULMX-AWEZNQCLSA-N 1 0 344.427 3.129 40 0 EGABRO CC[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nnc(C2CCC2)o1 ZINC000075918274 453938659 /nfs/dbraw/zinc/93/86/59/453938659.db2.gz NWTYPBPQMJZOOQ-GOSISDBHSA-N 1 0 340.471 3.434 40 0 EGABRO CCn1cc(C[N@H+](CCCn2ccnc2)Cc2cccc(F)c2)cn1 ZINC000043277720 454053149 /nfs/dbraw/zinc/05/31/49/454053149.db2.gz PDDJRGMYBOOHHR-UHFFFAOYSA-N 1 0 341.434 3.331 40 0 EGABRO O=C(NCC[NH+]1CCC(c2cccs2)CC1)c1cc(C2CC2)on1 ZINC000077104110 454064045 /nfs/dbraw/zinc/06/40/45/454064045.db2.gz RZUCABDKXDYCMO-UHFFFAOYSA-N 1 0 345.468 3.223 40 0 EGABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(F)cc2F)C1 ZINC000044080816 454088183 /nfs/dbraw/zinc/08/81/83/454088183.db2.gz VLSMKMJEIRKFJE-GFCCVEGCSA-N 1 0 327.444 3.373 40 0 EGABRO CCOc1ccccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928470 454186363 /nfs/dbraw/zinc/18/63/63/454186363.db2.gz GEVYRYMZNNKIIR-UHFFFAOYSA-N 1 0 339.439 3.127 40 0 EGABRO COc1ccc(OC[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1O ZINC000095932563 454232913 /nfs/dbraw/zinc/23/29/13/454232913.db2.gz HEJVUVGUVCOISV-RHSMWYFYSA-N 1 0 331.387 3.312 40 0 EGABRO c1coc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)c1 ZINC000096039974 454266134 /nfs/dbraw/zinc/26/61/34/454266134.db2.gz PZFFVFBULXQDBU-OALUTQOASA-N 1 0 328.412 3.125 40 0 EGABRO COCCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(C)s1)CC2 ZINC000096047522 454269288 /nfs/dbraw/zinc/26/92/88/454269288.db2.gz KBFXHTCQQGKQSZ-GOSISDBHSA-N 1 0 336.501 3.050 40 0 EGABRO O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](Cc1cccnc1)C2 ZINC000096048749 454271550 /nfs/dbraw/zinc/27/15/50/454271550.db2.gz MGMOLEYSAQIFTR-GOSISDBHSA-N 1 0 327.453 3.162 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccco2)C[C@]12CCN(c1ccccn1)C2 ZINC000096051139 454272960 /nfs/dbraw/zinc/27/29/60/454272960.db2.gz SELGKGLSDVYEJI-KRWDZBQOSA-N 1 0 333.382 3.412 40 0 EGABRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2=O)c1 ZINC000096050576 454273066 /nfs/dbraw/zinc/27/30/66/454273066.db2.gz SCSSOVHZBFPJDL-OAQYLSRUSA-N 1 0 335.451 3.015 40 0 EGABRO Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4ccsc4)CC[N@@H+]3C2)c1 ZINC000096055141 454273876 /nfs/dbraw/zinc/27/38/76/454273876.db2.gz AYIWWODBHTWUJB-AEFFLSMTSA-N 1 0 332.444 3.225 40 0 EGABRO Cc1ccc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)o1 ZINC000096056370 454274653 /nfs/dbraw/zinc/27/46/53/454274653.db2.gz FRMRLZAXIZVFAX-QRVBRYPASA-N 1 0 330.428 3.045 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1 ZINC000096056415 454274879 /nfs/dbraw/zinc/27/48/79/454274879.db2.gz SAZQXFPKJIYTPJ-VAMGGRTRSA-N 1 0 331.456 3.244 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3=O)CC2)cc1 ZINC000096157849 454294046 /nfs/dbraw/zinc/29/40/46/454294046.db2.gz AKZLPGACPKFCBM-UHFFFAOYSA-N 1 0 349.478 3.405 40 0 EGABRO Cc1cccc(CN2CCC3(CC[NH+](Cc4cccnc4)CC3)C2=O)c1 ZINC000096157981 454294377 /nfs/dbraw/zinc/29/43/77/454294377.db2.gz DCBHLBWZRKJAPL-UHFFFAOYSA-N 1 0 349.478 3.405 40 0 EGABRO c1csc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC000096186790 454299526 /nfs/dbraw/zinc/29/95/26/454299526.db2.gz NUWAYRMGHUSRBV-NEWSRXKRSA-N 1 0 344.480 3.482 40 0 EGABRO Cc1cccc(C[N@@H+]2CCCC[C@@]23CCN(Cc2cccnc2)C3)n1 ZINC000096203148 454302363 /nfs/dbraw/zinc/30/23/63/454302363.db2.gz LQJQOSKRJGBEON-NRFANRHFSA-N 1 0 336.483 3.416 40 0 EGABRO C[C@@H]1C[N@H+](Cc2ccncc2)C[C@]12CCN(c1ccsc1)C2=O ZINC000096201771 454302427 /nfs/dbraw/zinc/30/24/27/454302427.db2.gz WZKFCNVGWGBPKW-RDTXWAMCSA-N 1 0 327.453 3.018 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)cc1C ZINC000096199962 454302981 /nfs/dbraw/zinc/30/29/81/454302981.db2.gz QSBKIRWZSUESBP-HXUWFJFHSA-N 1 0 349.478 3.337 40 0 EGABRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000096208097 454304501 /nfs/dbraw/zinc/30/45/01/454304501.db2.gz JZWORLYPGXORNU-GOSISDBHSA-N 1 0 340.467 3.500 40 0 EGABRO C[NH+]1CCC2(C[C@H](COCC3CC3)N(C(=O)c3ccccc3)C2)CC1 ZINC000096217234 454307938 /nfs/dbraw/zinc/30/79/38/454307938.db2.gz UAMBATKGGWLRDW-LJQANCHMSA-N 1 0 342.483 3.040 40 0 EGABRO Cc1nc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)CCC3(F)F)cs1 ZINC000096239795 454311967 /nfs/dbraw/zinc/31/19/67/454311967.db2.gz DKKBWEQEWQMDDD-MRXNPFEDSA-N 1 0 341.471 3.395 40 0 EGABRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cccs2)cc1 ZINC000096476357 454362685 /nfs/dbraw/zinc/36/26/85/454362685.db2.gz YLLHWAMVZGZWHM-CYBMUJFWSA-N 1 0 338.498 3.403 40 0 EGABRO CCc1c(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cnn1CC(C)C ZINC000096499597 454371256 /nfs/dbraw/zinc/37/12/56/454371256.db2.gz PXAHANOUXZAAQS-MAUKXSAKSA-N 1 0 347.507 3.050 40 0 EGABRO COc1ccc(CCC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000048267437 454464972 /nfs/dbraw/zinc/46/49/72/454464972.db2.gz RHZVEDBZYZVHDE-IRXDYDNUSA-N 1 0 332.488 3.112 40 0 EGABRO CN(C(=O)CCc1cccnc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074447094 454583513 /nfs/dbraw/zinc/58/35/13/454583513.db2.gz PQVVYAATHVRXTE-FQEVSTJZSA-N 1 0 337.467 3.137 40 0 EGABRO Cc1cccnc1C[NH+]1CCC2(CC(NC(=O)c3ccco3)C2)CC1 ZINC000108527371 454801362 /nfs/dbraw/zinc/80/13/62/454801362.db2.gz IEMDEWSREBZDBG-UHFFFAOYSA-N 1 0 339.439 3.158 40 0 EGABRO c1cc(C[NH+]2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)cs1 ZINC000108531929 454801750 /nfs/dbraw/zinc/80/17/50/454801750.db2.gz HJWNDZNCPNYBBB-INIZCTEOSA-N 1 0 344.484 3.164 40 0 EGABRO CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000156236046 455096540 /nfs/dbraw/zinc/09/65/40/455096540.db2.gz BQUCNHQTMATTHC-CQSZACIVSA-N 1 0 347.488 3.048 40 0 EGABRO CC(C)c1n[nH]cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000189287290 455170555 /nfs/dbraw/zinc/17/05/55/455170555.db2.gz QATKJAPQOYPNDM-UHFFFAOYSA-N 1 0 346.500 3.237 40 0 EGABRO Cc1cccc(CC(=O)NCC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000244975050 455278082 /nfs/dbraw/zinc/27/80/82/455278082.db2.gz HZOPWVXJASCIGO-UHFFFAOYSA-N 1 0 346.540 3.261 40 0 EGABRO FC(F)(F)c1[nH]c2ncccc2c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247641517 455632591 /nfs/dbraw/zinc/63/25/91/455632591.db2.gz HSECZTVICRJWBE-LBPRGKRZSA-N 1 0 338.377 3.252 40 0 EGABRO COC(=O)c1c(C2CC2)csc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192692235 455669377 /nfs/dbraw/zinc/66/93/77/455669377.db2.gz UKQXTEXBIQYWJY-UHFFFAOYSA-N 1 0 348.468 3.225 40 0 EGABRO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)c3cccs3)C[C@@H]12 ZINC000248166179 455692903 /nfs/dbraw/zinc/69/29/03/455692903.db2.gz ZWCRZQUNDFXQRC-IEBWSBKVSA-N 1 0 326.465 3.236 40 0 EGABRO COc1ccc([C@@H]2[C@H](CNC(=O)C3(SC)CC3)CCC[N@@H+]2C)cc1 ZINC000252499959 455815253 /nfs/dbraw/zinc/81/52/53/455815253.db2.gz SJZJRTORYXMECC-DOTOQJQBSA-N 1 0 348.512 3.090 40 0 EGABRO O=c1cc([C@@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)nc(-c2ccccn2)[nH]1 ZINC000253614856 455855688 /nfs/dbraw/zinc/85/56/88/455855688.db2.gz KWSCHPBLUXFIHA-HZPDHXFCSA-N 1 0 336.439 3.390 40 0 EGABRO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257295543 455885107 /nfs/dbraw/zinc/88/51/07/455885107.db2.gz QYTUMFOKOXCJPO-CYBMUJFWSA-N 1 0 327.457 3.170 40 0 EGABRO CCCn1nccc1-c1nccnc1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000257315390 455888811 /nfs/dbraw/zinc/88/88/11/455888811.db2.gz VBCSTIJJWHJSAU-INIZCTEOSA-N 1 0 327.476 3.413 40 0 EGABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1ccccc1F ZINC000257327084 455891569 /nfs/dbraw/zinc/89/15/69/455891569.db2.gz WZWHSOSKLSRVRM-XBQLCILLSA-N 1 0 346.446 3.068 40 0 EGABRO O=C(Cc1ccc(O)cc1)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2CC1CC1 ZINC000257326379 455891923 /nfs/dbraw/zinc/89/19/23/455891923.db2.gz WWZOXECIKHYJFO-WOJBJXKFSA-N 1 0 342.483 3.190 40 0 EGABRO CC(=O)Nc1cc(CCC2CC[NH+](Cc3cccnc3)CC2)ccn1 ZINC000257323854 455892023 /nfs/dbraw/zinc/89/20/23/455892023.db2.gz WMBYXSKZXRSQJM-UHFFFAOYSA-N 1 0 338.455 3.280 40 0 EGABRO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(O)c1 ZINC000194864692 455892771 /nfs/dbraw/zinc/89/27/71/455892771.db2.gz OWTVOOQHQAHJGL-IFXJQAMLSA-N 1 0 340.423 3.361 40 0 EGABRO Cc1cc(C(F)(F)F)nc(C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000257333197 455894531 /nfs/dbraw/zinc/89/45/31/455894531.db2.gz YAOMEIWBRFFVRH-UONOGXRCSA-N 1 0 343.393 3.287 40 0 EGABRO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3c(C)nc4sccn34)C2)n1 ZINC000257338629 455895292 /nfs/dbraw/zinc/89/52/92/455895292.db2.gz YYGIHTFJUOCLIZ-CQSZACIVSA-N 1 0 329.473 3.126 40 0 EGABRO CCOc1cc(N2CCC(n3c(C)nc4ccccc43)CC2)ncn1 ZINC000280136065 455900276 /nfs/dbraw/zinc/90/02/76/455900276.db2.gz DUTCATQULXKJSR-UHFFFAOYSA-N 1 0 337.427 3.375 40 0 EGABRO Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1Cl ZINC000195438104 455959969 /nfs/dbraw/zinc/95/99/69/455959969.db2.gz NVYWVVIBKYVXGG-UHFFFAOYSA-N 1 0 343.858 3.438 40 0 EGABRO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000195531557 455980961 /nfs/dbraw/zinc/98/09/61/455980961.db2.gz CTDZZXLQJBZHCI-WOJBJXKFSA-N 1 0 338.451 3.134 40 0 EGABRO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000195531558 455981194 /nfs/dbraw/zinc/98/11/94/455981194.db2.gz CTDZZXLQJBZHCI-VQTJNVASSA-N 1 0 338.451 3.134 40 0 EGABRO CC1(C)[C@@H]2C[C@H]1C(COC[C@@H](O)C[N@@H+]1CCc3ccccc3C1)=CC2 ZINC000195541517 455982804 /nfs/dbraw/zinc/98/28/04/455982804.db2.gz DCHBVYQEDRWVSH-ACRUOGEOSA-N 1 0 341.495 3.415 40 0 EGABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 ZINC000223210639 456053619 /nfs/dbraw/zinc/05/36/19/456053619.db2.gz VDAPQANHHFTWQF-JKSUJKDBSA-N 1 0 346.525 3.067 40 0 EGABRO CCN(C)C(=O)C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000225485751 456087329 /nfs/dbraw/zinc/08/73/29/456087329.db2.gz VRCZWRCCGCYPCH-CYBMUJFWSA-N 1 0 331.279 3.030 40 0 EGABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000225671625 456103015 /nfs/dbraw/zinc/10/30/15/456103015.db2.gz KFJRXMMBYQXRCW-LJQANCHMSA-N 1 0 334.460 3.161 40 0 EGABRO Cc1nc(Cc2nc(-c3cccc(OCC[NH+](C)C)c3)no2)cs1 ZINC000390833709 457446336 /nfs/dbraw/zinc/44/63/36/457446336.db2.gz LUCXDXGBKBZNAI-UHFFFAOYSA-N 1 0 344.440 3.033 40 0 EGABRO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@@H+](CC(C)C)CC2 ZINC000585099898 459823493 /nfs/dbraw/zinc/82/34/93/459823493.db2.gz VUWBKJXPRFLPTC-LJQANCHMSA-N 1 0 333.476 3.295 40 0 EGABRO O=C(NC1CC2(C1)CC[NH+](Cc1ccccn1)CC2)OC1CCCC1 ZINC000585103306 459824211 /nfs/dbraw/zinc/82/42/11/459824211.db2.gz ODNUUPXWMOWUCB-UHFFFAOYSA-N 1 0 343.471 3.495 40 0 EGABRO COc1ccccc1N1CCC([NH2+]Cc2cccc(F)c2N)CC1 ZINC000585140519 459829037 /nfs/dbraw/zinc/82/90/37/459829037.db2.gz GIBRJGNOLDOXEJ-UHFFFAOYSA-N 1 0 329.419 3.175 40 0 EGABRO COCc1ccccc1/C=C(\C)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000646048634 462503200 /nfs/dbraw/zinc/50/32/00/462503200.db2.gz IRIKQHGKIJXQAC-IYYMRFBLSA-N 1 0 344.499 3.033 40 0 EGABRO CC1(C(=O)NCC(F)(F)C(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000192028843 528852184 /nfs/dbraw/zinc/85/21/84/528852184.db2.gz WFFUVIQVAPMBJY-UHFFFAOYSA-N 1 0 346.368 3.305 40 0 EGABRO C[N@@H+]1C[C@@H](CNC(=O)Nc2cccc(F)c2)[C@H](c2cccs2)C1 ZINC000230134429 536484931 /nfs/dbraw/zinc/48/49/31/536484931.db2.gz FVTHARXFFOEOLI-IUODEOHRSA-N 1 0 333.432 3.354 40 0 EGABRO CC(=O)N[C@@H]1CCCC[C@]12C[N@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CCO2 ZINC000306132257 547460633 /nfs/dbraw/zinc/46/06/33/547460633.db2.gz LDAAOGODECCYJB-HUUJSLGLSA-N 1 0 346.515 3.129 40 0 EGABRO Cc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c(Cl)c1 ZINC000228939104 564118134 /nfs/dbraw/zinc/11/81/34/564118134.db2.gz GVLQRICKDFPXLC-UHFFFAOYSA-N 1 0 342.834 3.456 40 0 EGABRO C[NH+]1CCC(CCNC(=O)c2ccc(N3CCCCC3)cc2)CC1 ZINC000174159675 530048997 /nfs/dbraw/zinc/04/89/97/530048997.db2.gz RKIAYZWKNTUJOI-UHFFFAOYSA-N 1 0 329.488 3.139 40 0 EGABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1cnn(C)c1C ZINC000036741271 213115616 /nfs/dbraw/zinc/11/56/16/213115616.db2.gz FPWHNWCNJXNMLH-QGZVFWFLSA-N 1 0 332.517 3.277 40 0 EGABRO Cc1sc2c([C@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)nc(C)n2c1C ZINC000072351266 216161547 /nfs/dbraw/zinc/16/15/47/216161547.db2.gz KQNVVLPPBRSSGB-INIZCTEOSA-N 1 0 343.500 3.434 40 0 EGABRO c1cncc(C[N@@H+]2CCC[C@H](c3nccnc3Oc3cccnc3)C2)c1 ZINC000072383634 216183988 /nfs/dbraw/zinc/18/39/88/216183988.db2.gz FFKUNHYKBAKEHL-KRWDZBQOSA-N 1 0 347.422 3.439 40 0 EGABRO C[NH+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)c2ccccc2Cl)C1 ZINC000129877964 223100472 /nfs/dbraw/zinc/10/04/72/223100472.db2.gz MDGFQLCTQRPXRX-AWEZNQCLSA-N 1 0 337.895 3.211 40 0 EGABRO O[C@]1(C[NH2+]Cc2cc(Br)c(Cl)s2)CCSC1 ZINC000191274123 239006252 /nfs/dbraw/zinc/00/62/52/239006252.db2.gz ZQUYENPNLGXSHE-JTQLQIEISA-N 1 0 342.711 3.122 40 0 EGABRO O=C(CC[NH+]1CCN(Cc2ccsc2)CC1)Nc1ccccc1F ZINC000022912721 212332868 /nfs/dbraw/zinc/33/28/68/212332868.db2.gz WEDFRPHPRVESMO-UHFFFAOYSA-N 1 0 347.459 3.034 40 0 EGABRO COc1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc(OC)c1C ZINC000021200212 212215018 /nfs/dbraw/zinc/21/50/18/212215018.db2.gz ZPARBESPKYPXRD-UHFFFAOYSA-N 1 0 348.487 3.397 40 0 EGABRO Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000020492998 212139248 /nfs/dbraw/zinc/13/92/48/212139248.db2.gz UCUZJLVRZLQXIZ-GOSISDBHSA-N 1 0 332.488 3.371 40 0 EGABRO COc1ccc(SCC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000020455452 212132310 /nfs/dbraw/zinc/13/23/10/212132310.db2.gz JXELRBXELGNNTH-UHFFFAOYSA-N 1 0 336.501 3.026 40 0 EGABRO CC(C)CC(=O)N(c1ccc(F)cc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257213886 244160523 /nfs/dbraw/zinc/16/05/23/244160523.db2.gz CJNCDVZIVNYCGO-QGZVFWFLSA-N 1 0 334.435 3.116 40 0 EGABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)COc3ccccc3F)CCC[C@@]21C ZINC000257214051 244161447 /nfs/dbraw/zinc/16/14/47/244161447.db2.gz CKHKYDHFLYSOHP-HKUYNNGSSA-N 1 0 334.435 3.070 40 0 EGABRO COc1cccc(C(=O)N2CCC[C@H]2c2ccc(C[NH+](C)C)cn2)c1 ZINC000257224123 244196280 /nfs/dbraw/zinc/19/62/80/244196280.db2.gz FAKVRWBTJJWSCU-IBGZPJMESA-N 1 0 339.439 3.129 40 0 EGABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1nccc2ccccc21 ZINC000257245511 244255966 /nfs/dbraw/zinc/25/59/66/244255966.db2.gz IPWCWXFTGRWFOK-CQSHLORDSA-N 1 0 335.451 3.370 40 0 EGABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2sccc2C)n1 ZINC000257235512 244225175 /nfs/dbraw/zinc/22/51/75/244225175.db2.gz GYDYUOCRZIRACF-QGZVFWFLSA-N 1 0 329.469 3.425 40 0 EGABRO OCCOc1cccc(C[N@@H+]2CCC[C@@H]2CCc2ccncc2)c1 ZINC000257240030 244242386 /nfs/dbraw/zinc/24/23/86/244242386.db2.gz HRTQDQUTWFAVOK-LJQANCHMSA-N 1 0 326.440 3.050 40 0 EGABRO CO[C@@H]1CCCOC12CC[NH+](Cc1ccnc3ccccc13)CC2 ZINC000257253551 244275755 /nfs/dbraw/zinc/27/57/55/244275755.db2.gz JZIXNZZRZCFNGK-LJQANCHMSA-N 1 0 326.440 3.395 40 0 EGABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4ccccn4)c3)C2)cn1 ZINC000257255974 244282243 /nfs/dbraw/zinc/28/22/43/244282243.db2.gz KJPXOVFGRBSBIP-GOSISDBHSA-N 1 0 348.454 3.333 40 0 EGABRO Fc1ccc(CNc2n[nH]c3nc([C@@H]4CCC[NH2+]C4)ccc23)cc1 ZINC000257276740 244395787 /nfs/dbraw/zinc/39/57/87/244395787.db2.gz NUXVRSLPJPQWPF-CYBMUJFWSA-N 1 0 325.391 3.176 40 0 EGABRO CCn1nc(C)c(-c2cncn2Cc2ccccc2C[NH+](C)C)c1C ZINC000019719568 212056553 /nfs/dbraw/zinc/05/65/53/212056553.db2.gz DLMSYNWPKLAPFF-UHFFFAOYSA-N 1 0 337.471 3.493 40 0 EGABRO CN1CC[N@H+](CC2CC2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019589673 212049357 /nfs/dbraw/zinc/04/93/57/212049357.db2.gz IBBCURJMQVBINK-HXUWFJFHSA-N 1 0 349.478 3.091 40 0 EGABRO COc1cccc(OC)c1C[NH2+][C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019567139 212044340 /nfs/dbraw/zinc/04/43/40/212044340.db2.gz HKAHDKNMDNIPFX-DLBZAZTESA-N 1 0 331.387 3.115 40 0 EGABRO Cc1cc(C)n(-c2cccc(CN(C)CC[NH+]3CCCCC3)c2)n1 ZINC000019574774 212045215 /nfs/dbraw/zinc/04/52/15/212045215.db2.gz LUWVUGBGOGKPFG-UHFFFAOYSA-N 1 0 326.488 3.407 40 0 EGABRO CCOc1cc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)ccc1OC ZINC000019532055 212040045 /nfs/dbraw/zinc/04/00/45/212040045.db2.gz IYJMZBYNOVOYSE-QXAKKESOSA-N 1 0 344.499 3.400 40 0 EGABRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12Cc1ccccc1C2=O ZINC000019530468 212039214 /nfs/dbraw/zinc/03/92/14/212039214.db2.gz WWALFQLIWFZCOO-UGKGYDQZSA-N 1 0 349.430 3.107 40 0 EGABRO Fc1cccc(CC[NH2+]Cc2cc(-c3ccccc3)cn3nnnc23)c1 ZINC000019374028 212023951 /nfs/dbraw/zinc/02/39/51/212023951.db2.gz JMRQBDOWMNRRSN-UHFFFAOYSA-N 1 0 347.397 3.263 40 0 EGABRO O=c1oc2ccc(Cl)cc2n1[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019346007 212019093 /nfs/dbraw/zinc/01/90/93/212019093.db2.gz ODJVUHUWHIKHRL-OAHLLOKOSA-N 1 0 343.814 3.480 40 0 EGABRO COc1cccc(C[NH2+]CCc2cc(F)cc3c2OCOC3)c1OC ZINC000078552789 217074120 /nfs/dbraw/zinc/07/41/20/217074120.db2.gz YHFWOAROMDQYSN-UHFFFAOYSA-N 1 0 347.386 3.042 40 0 EGABRO COc1ccc2cc(C[NH2+]CCc3cccc(F)c3)c(=O)[nH]c2c1 ZINC000013998472 211669244 /nfs/dbraw/zinc/66/92/44/211669244.db2.gz HYCQSGSLARGGPO-UHFFFAOYSA-N 1 0 326.371 3.008 40 0 EGABRO O[C@H](C[NH+]1CCC(O)(c2ccccc2F)CC1)c1ccc(Cl)cc1 ZINC000012292420 211335150 /nfs/dbraw/zinc/33/51/50/211335150.db2.gz IFYMIAHJMSYRRJ-GOSISDBHSA-N 1 0 349.833 3.496 40 0 EGABRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000012241106 211328215 /nfs/dbraw/zinc/32/82/15/211328215.db2.gz WVGDNTCQLQHJLE-GFCCVEGCSA-N 1 0 327.453 3.058 40 0 EGABRO CCn1cncc1C[N@H+](CCCn1ccnc1)C[C@H]1CC=CCC1 ZINC000012116597 211295951 /nfs/dbraw/zinc/29/59/51/211295951.db2.gz KNPBYXYUUBXCAW-SFHVURJKSA-N 1 0 327.476 3.348 40 0 EGABRO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c1C ZINC000010340037 211167093 /nfs/dbraw/zinc/16/70/93/211167093.db2.gz GHEKDWLCNHJSDP-MRXNPFEDSA-N 1 0 340.423 3.438 40 0 EGABRO NC(=O)c1csc(C[N@@H+]2CCC[C@@H](COc3ccccc3)C2)c1 ZINC000093364783 218220052 /nfs/dbraw/zinc/22/00/52/218220052.db2.gz ANHHOUVGIAVLBT-CQSZACIVSA-N 1 0 330.453 3.138 40 0 EGABRO CC1(C)CC(NC(=O)COc2ccc(F)cc2Cl)CC(C)(C)[NH2+]1 ZINC000009450209 211084683 /nfs/dbraw/zinc/08/46/83/211084683.db2.gz TUHDDAQMPYKZMK-UHFFFAOYSA-N 1 0 342.842 3.283 40 0 EGABRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCCN(C(C)C)C2=O)cc1OC ZINC000096449374 218832076 /nfs/dbraw/zinc/83/20/76/218832076.db2.gz JEVSAHRPPAVZMP-HOCLYGCPSA-N 1 0 334.460 3.062 40 0 EGABRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000013613028 257912150 /nfs/dbraw/zinc/91/21/50/257912150.db2.gz KEABLBSPOLLTSN-INIZCTEOSA-N 1 0 332.488 3.354 40 0 EGABRO C[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000283364248 257987166 /nfs/dbraw/zinc/98/71/66/257987166.db2.gz CBYYBPROYDNDLM-AWEZNQCLSA-N 1 0 342.464 3.465 40 0 EGABRO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CCC[C@H](C)C3)ccc21 ZINC000036741214 132392973 /nfs/dbraw/zinc/39/29/73/132392973.db2.gz OPSKSEGKNBSNDR-JXFKEZNVSA-N 1 0 344.499 3.387 40 0 EGABRO CCS(=O)(=O)CC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000095421755 286609576 /nfs/dbraw/zinc/60/95/76/286609576.db2.gz HAGURDXBDWGRKR-ZDUSSCGKSA-N 1 0 333.906 3.291 40 0 EGABRO C[NH+](C)[C@@H](CNC(=O)c1nc(Cl)ccc1Cl)c1cccs1 ZINC000027679826 262502551 /nfs/dbraw/zinc/50/25/51/262502551.db2.gz WWTDNWGTYFICTQ-JTQLQIEISA-N 1 0 344.267 3.483 40 0 EGABRO Brc1cc2c(s1)CCN(CC[C@@H]1CCCC[NH2+]1)C2 ZINC000095097532 276766875 /nfs/dbraw/zinc/76/68/75/276766875.db2.gz NRNLIGBQMMPTBK-LBPRGKRZSA-N 1 0 329.307 3.401 40 0 EGABRO Cc1ccsc1C[NH+]1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000013566601 281504660 /nfs/dbraw/zinc/50/46/60/281504660.db2.gz KXQLZJZUEAADFO-UHFFFAOYSA-N 1 0 327.453 3.204 40 0 EGABRO COc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cccc3ncccc32)cc1 ZINC000257304184 295250201 /nfs/dbraw/zinc/25/02/01/295250201.db2.gz SKKRFSDBLXLUHX-HXUWFJFHSA-N 1 0 347.418 3.030 40 0 EGABRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236388 302028125 /nfs/dbraw/zinc/02/81/25/302028125.db2.gz PBOMTKLBHCYHIV-SIKLNZKXSA-N 1 0 349.478 3.418 40 0 EGABRO Cc1csc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1Cl ZINC000333345257 308857399 /nfs/dbraw/zinc/85/73/99/308857399.db2.gz ZBIYTUUNBDPSNT-QWHCGFSZSA-N 1 0 342.892 3.068 40 0 EGABRO Cc1c(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cccc1N(C)C ZINC000097103691 323215088 /nfs/dbraw/zinc/21/50/88/323215088.db2.gz HZXFQVLHOXPYLZ-QGZVFWFLSA-N 1 0 344.503 3.401 40 0 EGABRO COc1cccc([C@@H]2[C@H](NC(=O)N(C)C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000097234654 323215219 /nfs/dbraw/zinc/21/52/19/323215219.db2.gz RONXRPOSVLNUOV-QZTJIDSGSA-N 1 0 331.460 3.023 40 0 EGABRO C[NH+](C)[C@@H](CNC(=O)c1nc2ccccc2s1)c1ccccc1 ZINC000003260616 452753836 /nfs/dbraw/zinc/75/38/36/452753836.db2.gz QPZVOLNOWZGVHB-HNNXBMFYSA-N 1 0 325.437 3.329 40 0 EGABRO Cc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1CC(C)C ZINC000007030636 453019784 /nfs/dbraw/zinc/01/97/84/453019784.db2.gz ZVODNCITGSFBRQ-KRWDZBQOSA-N 1 0 336.443 3.207 40 0 EGABRO COc1cccc(CNCCC[NH+](C)C)c1OCc1ccccc1 ZINC000008373900 453197267 /nfs/dbraw/zinc/19/72/67/453197267.db2.gz WCVNCEWMHNMABO-UHFFFAOYSA-N 1 0 328.456 3.316 40 0 EGABRO COc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000008406508 453203205 /nfs/dbraw/zinc/20/32/05/453203205.db2.gz DSXJAVHWCCGZTR-UHFFFAOYSA-N 1 0 338.451 3.150 40 0 EGABRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)C1 ZINC000012239984 453352505 /nfs/dbraw/zinc/35/25/05/453352505.db2.gz VTPOIGCASOIQLF-FOIQADDNSA-N 1 0 342.483 3.141 40 0 EGABRO C[NH+]1CCN(c2ccccc2NC(=O)CCCc2cccs2)CC1 ZINC000012597978 453382462 /nfs/dbraw/zinc/38/24/62/453382462.db2.gz KXXVFORMOFIVLC-UHFFFAOYSA-N 1 0 343.496 3.461 40 0 EGABRO C=Cn1cc(C[NH+]2CCC(n3c4ccccc4oc3=O)CC2)c(C)n1 ZINC000012741102 453397086 /nfs/dbraw/zinc/39/70/86/453397086.db2.gz ZCRPYHJSFZOVAJ-UHFFFAOYSA-N 1 0 338.411 3.037 40 0 EGABRO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000014138615 453510685 /nfs/dbraw/zinc/51/06/85/453510685.db2.gz TVLVXPUNKAWTML-RBBKRZOGSA-N 1 0 337.463 3.500 40 0 EGABRO CCOc1ccc([N+]2=C3CCCCN3[C@@](O)(c3cccs3)C2)cc1 ZINC000015962426 453590723 /nfs/dbraw/zinc/59/07/23/453590723.db2.gz YVMXOIFUYWVMFN-IBGZPJMESA-N 1 0 343.472 3.407 40 0 EGABRO Cc1ccccc1N1CC[NH+](C[C@H](O)c2cn(C)c3ccccc23)CC1 ZINC000019237307 453655187 /nfs/dbraw/zinc/65/51/87/453655187.db2.gz ROPKIKISKPFWKN-QFIPXVFZSA-N 1 0 349.478 3.342 40 0 EGABRO Fc1ccccc1C[N@@H+]1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1 ZINC000019349481 453656444 /nfs/dbraw/zinc/65/64/44/453656444.db2.gz GKYZCUXWSKLIEV-AEFFLSMTSA-N 1 0 349.413 3.099 40 0 EGABRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]3[C@H]2CCN3C(C)=O)cc1OC ZINC000019712528 453658522 /nfs/dbraw/zinc/65/85/22/453658522.db2.gz YDVOZUVNVDRATQ-QZTJIDSGSA-N 1 0 346.471 3.069 40 0 EGABRO COc1ccc(OC[C@H](O)C[NH+]2CCC(C)CC2)c(C(C)(C)C)c1 ZINC000026781132 453805593 /nfs/dbraw/zinc/80/55/93/453805593.db2.gz HAXDXPSLJFTLMP-MRXNPFEDSA-N 1 0 335.488 3.464 40 0 EGABRO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000033015028 453900840 /nfs/dbraw/zinc/90/08/40/453900840.db2.gz KTQITHCLRHQXLD-SFHVURJKSA-N 1 0 347.842 3.414 40 0 EGABRO CC1(C)C[NH2+]CC(C)(C)C1N1C(=O)c2cccc3cccc(c32)C1=O ZINC000040173525 453948867 /nfs/dbraw/zinc/94/88/67/453948867.db2.gz LNMINGGORSPKOF-UHFFFAOYSA-N 1 0 336.435 3.460 40 0 EGABRO C/C1=C/CC/C(C)=C\[C@@H](O)[C@H]2[C@@H](C[NH+]3CCCCC3)C(=O)O[C@H]2C1 ZINC000043736251 454076058 /nfs/dbraw/zinc/07/60/58/454076058.db2.gz PBRLWNMMGXHHMD-GCQAPRMJSA-N 1 0 333.472 3.068 40 0 EGABRO CC(=O)NC1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000077214176 454076454 /nfs/dbraw/zinc/07/64/54/454076454.db2.gz BNQZAIIQOCCAHQ-UHFFFAOYSA-N 1 0 349.381 3.250 40 0 EGABRO Cn1cc(C[N@@H+]2CCOC[C@H](Oc3ccccc3)C2)c2ccccc21 ZINC000077265843 454082682 /nfs/dbraw/zinc/08/26/82/454082682.db2.gz XQASVHXFWTYIIG-LJQANCHMSA-N 1 0 336.435 3.458 40 0 biogenic,in-vitro EGABRO Cc1ccc(NC(=O)CC[NH2+][C@H](CC(C)C)c2ccccn2)nc1 ZINC000095422397 454208476 /nfs/dbraw/zinc/20/84/76/454208476.db2.gz QNNIEOZOFRCDLM-QGZVFWFLSA-N 1 0 326.444 3.491 40 0 EGABRO C[C@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000071978910 454264214 /nfs/dbraw/zinc/26/42/14/454264214.db2.gz WHJQNVUBHSOTRI-QMMMGPOBSA-N 1 0 340.267 3.158 40 0 EGABRO O=C(Nc1ccc(Cl)cc1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000059916479 454264591 /nfs/dbraw/zinc/26/45/91/454264591.db2.gz JLMGPSSQEAYSOT-UHFFFAOYSA-N 1 0 337.851 3.105 40 0 EGABRO Cc1nc(COC[C@@]23CCCO[C@@H]2CC[N@H+](CC2CC2)C3)cs1 ZINC000096040152 454267134 /nfs/dbraw/zinc/26/71/34/454267134.db2.gz VGKOROHGTRPXKC-MSOLQXFVSA-N 1 0 336.501 3.249 40 0 EGABRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@H+](Cc1cccs1)C2 ZINC000096048650 454271419 /nfs/dbraw/zinc/27/14/19/454271419.db2.gz DLWKXQMBKZAGIY-IBGZPJMESA-N 1 0 341.480 3.158 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)o1 ZINC000096047889 454271878 /nfs/dbraw/zinc/27/18/78/454271878.db2.gz CVXVAUSABMBETP-GOSISDBHSA-N 1 0 328.412 3.186 40 0 EGABRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccccn4)C3)C2=O)c1 ZINC000096050575 454272909 /nfs/dbraw/zinc/27/29/09/454272909.db2.gz SCSSOVHZBFPJDL-NRFANRHFSA-N 1 0 335.451 3.015 40 0 EGABRO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@H+](Cc1ccco1)C2 ZINC000096050609 454272920 /nfs/dbraw/zinc/27/29/20/454272920.db2.gz UEFDSVFJEHKYKE-IBGZPJMESA-N 1 0 328.387 3.043 40 0 EGABRO Cn1cccc1C(=O)N1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC000096051582 454273154 /nfs/dbraw/zinc/27/31/54/454273154.db2.gz IDZPPPUTSFYHGV-SFHVURJKSA-N 1 0 341.455 3.135 40 0 EGABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[NH+](CC3CCCC3)C[C@H]2C1 ZINC000096080942 454280675 /nfs/dbraw/zinc/28/06/75/454280675.db2.gz LEZCAUONJBUCSR-ROUUACIJSA-N 1 0 346.902 3.463 40 0 EGABRO Cc1ncsc1C[N@@H+]1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000096107548 454284575 /nfs/dbraw/zinc/28/45/75/454284575.db2.gz AVLDRIPRUFDZDK-YJBOKZPZSA-N 1 0 345.468 3.049 40 0 EGABRO Cc1cccc(CO[C@@H]2COC3(C2)CC[NH+](Cc2ccoc2)CC3)n1 ZINC000096106803 454284641 /nfs/dbraw/zinc/28/46/41/454284641.db2.gz GWVRYVUPPCFLGV-IBGZPJMESA-N 1 0 342.439 3.323 40 0 EGABRO c1cc(C[NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)ccn1 ZINC000096106463 454284889 /nfs/dbraw/zinc/28/48/89/454284889.db2.gz GKVLJWACTHVGQI-IBGZPJMESA-N 1 0 330.472 3.127 40 0 EGABRO Fc1cccnc1O[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096107026 454284941 /nfs/dbraw/zinc/28/49/41/454284941.db2.gz ZOHCKPSPJFGWRO-OAHLLOKOSA-N 1 0 348.443 3.485 40 0 EGABRO c1coc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4ccncc4)CC[C@@H]32)c1 ZINC000096186776 454299573 /nfs/dbraw/zinc/29/95/73/454299573.db2.gz WJYKNNGLCZIABF-QYZOEREBSA-N 1 0 328.412 3.013 40 0 EGABRO Cc1nc(COC[C@@]23CCO[C@@H]2CC[N@H+](Cc2ccoc2)C3)cs1 ZINC000096206814 454303781 /nfs/dbraw/zinc/30/37/81/454303781.db2.gz FBRWSABEGRWQBD-MSOLQXFVSA-N 1 0 348.468 3.242 40 0 EGABRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)C1 ZINC000096268568 454314615 /nfs/dbraw/zinc/31/46/15/454314615.db2.gz UTYAWJRGYFHCBP-INIZCTEOSA-N 1 0 326.362 3.263 40 0 EGABRO COCC[NH+]1CCC(c2nc3ccc(-c4ccsc4)cn3n2)CC1 ZINC000096260718 454314924 /nfs/dbraw/zinc/31/49/24/454314924.db2.gz HICRYFAUAHPFAZ-UHFFFAOYSA-N 1 0 342.468 3.284 40 0 EGABRO CCn1cc(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cn1 ZINC000096403998 454322546 /nfs/dbraw/zinc/32/25/46/454322546.db2.gz YAINFJHKIWUDKJ-CQSZACIVSA-N 1 0 329.448 3.154 40 0 EGABRO O=C([C@@H]1C[C@@H]1c1cccnc1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000096416797 454332657 /nfs/dbraw/zinc/33/26/57/454332657.db2.gz AUURWOZHATUEAA-WOJBJXKFSA-N 1 0 335.451 3.314 40 0 EGABRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc([S@](C)=O)cc1 ZINC000090666683 454334032 /nfs/dbraw/zinc/33/40/32/454334032.db2.gz JDZSPHJFZJFCBR-SDWAUSNYSA-N 1 0 345.390 3.027 40 0 EGABRO CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c(O)c1 ZINC000090686067 454335526 /nfs/dbraw/zinc/33/55/26/454335526.db2.gz YROCVBBXKXSISH-CRAIPNDOSA-N 1 0 347.503 3.041 40 0 EGABRO O=C(C1CC[NH+](Cc2ccccn2)CC1)N(Cc1ccccc1)C1CC1 ZINC000096421191 454336701 /nfs/dbraw/zinc/33/67/01/454336701.db2.gz WNHJIOTYSUIURL-UHFFFAOYSA-N 1 0 349.478 3.485 40 0 EGABRO CCc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000096432955 454343702 /nfs/dbraw/zinc/34/37/02/454343702.db2.gz AZVYVHZIFMTEEM-KRWDZBQOSA-N 1 0 326.440 3.436 40 0 EGABRO C[N@H+](CC(=O)NCc1cccnc1)C1c2ccccc2-c2ccccc21 ZINC000096448430 454354392 /nfs/dbraw/zinc/35/43/92/454354392.db2.gz VFXWBQCJZNCVPO-UHFFFAOYSA-N 1 0 343.430 3.400 40 0 EGABRO Cc1ccc(-c2nc(C[NH2+]C3CCC4(CC3)OCCO4)co2)cc1 ZINC000096450085 454355345 /nfs/dbraw/zinc/35/53/45/454355345.db2.gz MKZZLJXRTZEPLX-UHFFFAOYSA-N 1 0 328.412 3.425 40 0 EGABRO Cc1ccc(Oc2ccc(NC(=O)C[NH+]3CCC(C)CC3)cc2)nn1 ZINC000096475072 454362572 /nfs/dbraw/zinc/36/25/72/454362572.db2.gz CCXUCXZJCWFMEJ-UHFFFAOYSA-N 1 0 340.427 3.248 40 0 EGABRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000096491676 454368229 /nfs/dbraw/zinc/36/82/29/454368229.db2.gz IDJKISDLUCAMFQ-LYRGGWFBSA-N 1 0 331.428 3.014 40 0 EGABRO CN(CCn1cccn1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121309470 454418762 /nfs/dbraw/zinc/41/87/62/454418762.db2.gz YXTKAVIDHFUVKZ-UHFFFAOYSA-N 1 0 343.456 3.005 40 0 EGABRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000048309713 454471636 /nfs/dbraw/zinc/47/16/36/454471636.db2.gz ADKQBIMUXYEMLN-YPMHNXCESA-N 1 0 345.270 3.361 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)s1 ZINC000107730866 454771692 /nfs/dbraw/zinc/77/16/92/454771692.db2.gz FUAIWKUUBZCLAW-CRAIPNDOSA-N 1 0 344.484 3.082 40 0 EGABRO c1cnc(N[C@H]2CCOC3(CC[NH+](C[C@@H]4CC=CCC4)CC3)C2)nc1 ZINC000108534556 454802671 /nfs/dbraw/zinc/80/26/71/454802671.db2.gz NNYWJBKARIBODU-MSOLQXFVSA-N 1 0 342.487 3.258 40 0 EGABRO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)C1CC1 ZINC000127672424 454987144 /nfs/dbraw/zinc/98/71/44/454987144.db2.gz HODWCJCACDMFBW-PBHICJAKSA-N 1 0 332.398 3.018 40 0 EGABRO CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000156236156 455096517 /nfs/dbraw/zinc/09/65/17/455096517.db2.gz BQUCNHQTMATTHC-AWEZNQCLSA-N 1 0 347.488 3.048 40 0 EGABRO O[C@H]1CCCC[C@@H]1[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1 ZINC000257225565 455880305 /nfs/dbraw/zinc/88/03/05/455880305.db2.gz FGTHVTNZGCCVEI-HOTGVXAUSA-N 1 0 343.389 3.292 40 0 EGABRO Cc1cccc(C)c1OCC(=O)N1CCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257285196 455882655 /nfs/dbraw/zinc/88/26/55/455882655.db2.gz PGBNJXOBWALZLH-PXNSSMCTSA-N 1 0 330.472 3.158 40 0 EGABRO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@@H](Cc4ccccn4)C3)c2n1 ZINC000257305095 455886931 /nfs/dbraw/zinc/88/69/31/455886931.db2.gz SOKROGMFSGKATC-KRWDZBQOSA-N 1 0 335.455 3.196 40 0 EGABRO CN(c1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cncs1)CC2 ZINC000257308791 455888013 /nfs/dbraw/zinc/88/80/13/455888013.db2.gz TYCHGVXNPBBHBB-QGZVFWFLSA-N 1 0 343.496 3.403 40 0 EGABRO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@H+](Cc3cnccn3)C2)n1 ZINC000257315820 455890927 /nfs/dbraw/zinc/89/09/27/455890927.db2.gz VCXFDIXJURHUBE-INIZCTEOSA-N 1 0 349.438 3.208 40 0 EGABRO Cc1noc(C)c1-c1cccc(C2CC[NH+](Cc3cnc[nH]3)CC2)n1 ZINC000257324899 455892372 /nfs/dbraw/zinc/89/23/72/455892372.db2.gz WQQVOCNAZQQPEF-UHFFFAOYSA-N 1 0 337.427 3.456 40 0 EGABRO Cc1[nH+]cc2cncc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)n21 ZINC000257336570 455894021 /nfs/dbraw/zinc/89/40/21/455894021.db2.gz YPAOZJQAITVTFZ-GOSISDBHSA-N 1 0 348.450 3.377 40 0 EGABRO CNc1ncccc1C[N@H+]1C[C@@H]2[C@H](Oc3cccnc3C)CC[C@@H]2C1 ZINC000257343221 455896344 /nfs/dbraw/zinc/89/63/44/455896344.db2.gz ZRYRNJFOSAQWJP-HHXXYDBFSA-N 1 0 338.455 3.116 40 0 EGABRO CN1CC[N@H+](C)Cc2ccc(NC(=O)C3CCC(F)(F)CC3)cc21 ZINC000195579308 455988723 /nfs/dbraw/zinc/98/87/23/455988723.db2.gz JQEYQAYBEPSFCJ-UHFFFAOYSA-N 1 0 337.414 3.332 40 0 EGABRO CCCN(C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000272565536 455995538 /nfs/dbraw/zinc/99/55/38/455995538.db2.gz SPZDANOFECWWNF-WMZOPIPTSA-N 1 0 329.488 3.481 40 0 EGABRO CCSc1nnc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000223549838 456058971 /nfs/dbraw/zinc/05/89/71/456058971.db2.gz KWYDCBHWXYXXKH-UHFFFAOYSA-N 1 0 348.497 3.498 40 0 EGABRO CC1CC[NH+](CCCNC(=S)Nc2c(F)cccc2F)CC1 ZINC000225436441 456082856 /nfs/dbraw/zinc/08/28/56/456082856.db2.gz BCAXZUVQQURAIJ-UHFFFAOYSA-N 1 0 327.444 3.373 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC)nc1 ZINC000225585144 456094674 /nfs/dbraw/zinc/09/46/74/456094674.db2.gz NTQGLAJULMFWNT-OAHLLOKOSA-N 1 0 336.505 3.031 40 0 EGABRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000230307198 456135853 /nfs/dbraw/zinc/13/58/53/456135853.db2.gz CFERQOTZURSPBJ-PBHICJAKSA-N 1 0 337.423 3.265 40 0 EGABRO C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000283364251 456766389 /nfs/dbraw/zinc/76/63/89/456766389.db2.gz CBYYBPROYDNDLM-CQSZACIVSA-N 1 0 342.464 3.465 40 0 EGABRO CN1CC[C@H](COCc2ccncc2)CC12C[NH+](CC1CCCC1)C2 ZINC000585103623 459824307 /nfs/dbraw/zinc/82/43/07/459824307.db2.gz YLXMRHRRDQQHTL-FQEVSTJZSA-N 1 0 343.515 3.185 40 0 EGABRO CCOCC[C@H]1CCOC12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000585104699 459825264 /nfs/dbraw/zinc/82/52/64/459825264.db2.gz LFSUBKBXEPCPDH-SFHVURJKSA-N 1 0 333.472 3.493 40 0 EGABRO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)cc1 ZINC000585105032 459825276 /nfs/dbraw/zinc/82/52/76/459825276.db2.gz NXXRCTZFLPOGPP-LJQANCHMSA-N 1 0 347.524 3.498 40 0 EGABRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1 ZINC000585288786 459833766 /nfs/dbraw/zinc/83/37/66/459833766.db2.gz JDIIAAOOIHLKQO-XUVXKRRUSA-N 1 0 345.414 3.285 40 0 EGABRO O=C(c1cc2ccccc2o1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575605364 459979964 /nfs/dbraw/zinc/97/99/64/459979964.db2.gz DRGXTHOKHBJNKN-UHFFFAOYSA-N 1 0 344.480 3.476 40 0 EGABRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(Cc3ccccc3)CCC1)C2 ZINC000615610934 460358203 /nfs/dbraw/zinc/35/82/03/460358203.db2.gz DGBJDVLDQFWDDM-HXUWFJFHSA-N 1 0 326.484 3.344 40 0 EGABRO Cc1ccc(CC2CN(C(=O)NCc3ccc4c[nH+]cn4c3)C2)cc1 ZINC000665113237 462314137 /nfs/dbraw/zinc/31/41/37/462314137.db2.gz YTSWGVLCIVYUPS-UHFFFAOYSA-N 1 0 334.423 3.027 40 0 EGABRO COC(=O)c1ccccc1-c1ccc(C[NH2+]C2(C)CCOCC2)o1 ZINC000152793015 534286102 /nfs/dbraw/zinc/28/61/02/534286102.db2.gz GTEUMVKSIACGDS-UHFFFAOYSA-N 1 0 329.396 3.392 40 0 EGABRO CC(=O)Nc1cc(CCC2CC[NH+](Cc3ccccn3)CC2)ccn1 ZINC000257233807 534694078 /nfs/dbraw/zinc/69/40/78/534694078.db2.gz GQUOXQCOMBAEAX-UHFFFAOYSA-N 1 0 338.455 3.280 40 0 EGABRO CC(C)c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@@H+]3C)n(C)n1 ZINC000257202815 535351035 /nfs/dbraw/zinc/35/10/35/535351035.db2.gz ANNPOAXWSHTXTQ-HKUYNNGSSA-N 1 0 332.492 3.023 40 0 EGABRO COc1ccccc1C(=O)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000252553180 536997110 /nfs/dbraw/zinc/99/71/10/536997110.db2.gz VHIFEEHCVZDIGC-UHFFFAOYSA-N 1 0 348.512 3.033 40 0 EGABRO Cc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CC[NH2+]CC3)n2c1 ZINC000022464971 1291214842 /nfs/dbraw/zinc/21/48/42/1291214842.db2.gz MGUGKZWJIZWXSI-UHFFFAOYSA-N 1 0 340.858 3.368 40 0 EGABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000054227378 214226391 /nfs/dbraw/zinc/22/63/91/214226391.db2.gz DNFWKBCUWWXBNC-QGZVFWFLSA-N 1 0 336.435 3.132 40 0 EGABRO CCOc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000004388946 210186534 /nfs/dbraw/zinc/18/65/34/210186534.db2.gz FORQKQOWBXTKAS-ZXFUBFMLSA-N 1 0 328.456 3.363 40 0 EGABRO CCc1ccccc1N1C(=O)C[C@@H](Nc2ccc(N(C)C)cc2)C1=O ZINC000101163559 219117914 /nfs/dbraw/zinc/11/79/14/219117914.db2.gz TZRYBPAOVSHUIP-QGZVFWFLSA-N 1 0 337.423 3.059 40 0 EGABRO CC[NH+](CC)[C@H](C)COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001840887 209798261 /nfs/dbraw/zinc/79/82/61/209798261.db2.gz DULUETYTNBOZNG-QGZVFWFLSA-N 1 0 341.451 3.196 40 0 EGABRO CCOc1ccc(/C=C/C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000040108043 213267237 /nfs/dbraw/zinc/26/72/37/213267237.db2.gz FRFZDVQIRQFWMO-GYPZGHTGSA-N 1 0 330.472 3.335 40 0 EGABRO CCC1=C[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@](C(=O)OC)(C2)[C@@H]13 ZINC000039336572 213234020 /nfs/dbraw/zinc/23/40/20/213234020.db2.gz CMKFQVZJOWHHDV-DRWCTHJISA-N 1 0 336.435 3.175 40 0 in-vitro EGABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-n3ccnc3)C2)cc1 ZINC000072350501 216162390 /nfs/dbraw/zinc/16/23/90/216162390.db2.gz XVUSYDGHMPNZFY-MRXNPFEDSA-N 1 0 337.402 3.181 40 0 EGABRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccncc3F)cc2)C1 ZINC000073303553 216375564 /nfs/dbraw/zinc/37/55/64/216375564.db2.gz LDNACMOLVHANQH-CQSZACIVSA-N 1 0 343.402 3.194 40 0 EGABRO O=C(COc1ccccc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023128045 212352754 /nfs/dbraw/zinc/35/27/54/212352754.db2.gz ACGBQNVPSNLSIO-UHFFFAOYSA-N 1 0 344.480 3.155 40 0 EGABRO CCOc1ccc(CC(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000023014477 212343300 /nfs/dbraw/zinc/34/33/00/212343300.db2.gz MISWZCJXLUCIGB-UHFFFAOYSA-N 1 0 344.499 3.399 40 0 EGABRO CC[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000022584099 212308843 /nfs/dbraw/zinc/30/88/43/212308843.db2.gz QHONLYLALCLSEO-KRWDZBQOSA-N 1 0 337.467 3.318 40 0 EGABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C[NH3+])cc1 ZINC000218653926 241337579 /nfs/dbraw/zinc/33/75/79/241337579.db2.gz LUHRGBTUYABIJO-SQNIBIBYSA-N 1 0 349.883 3.417 40 0 EGABRO CC[C@](O)(c1ccccc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440547 212128832 /nfs/dbraw/zinc/12/88/32/212128832.db2.gz IZFLSEIGJMOVRV-SFTDATJTSA-N 1 0 325.452 3.400 40 0 EGABRO Cc1nccc(C[C@H]2COCC[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000257217863 244172676 /nfs/dbraw/zinc/17/26/76/244172676.db2.gz DAXMYCCZZKTXTQ-MRXNPFEDSA-N 1 0 331.847 3.130 40 0 EGABRO Fc1ccccc1CNc1n[nH]c2nc(C3CC[NH2+]CC3)ccc12 ZINC000257247145 244261265 /nfs/dbraw/zinc/26/12/65/244261265.db2.gz IXRXFWFKRSEATL-UHFFFAOYSA-N 1 0 325.391 3.176 40 0 EGABRO Cn1cc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4ccccn4)c3)C2)cn1 ZINC000257255975 244282516 /nfs/dbraw/zinc/28/25/16/244282516.db2.gz KJPXOVFGRBSBIP-SFHVURJKSA-N 1 0 348.454 3.333 40 0 EGABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)C1CCC1)Cc1ccccc1O2 ZINC000019583964 212047426 /nfs/dbraw/zinc/04/74/26/212047426.db2.gz CODIWGHMNQYMHS-UHFFFAOYSA-N 1 0 342.483 3.451 40 0 EGABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000019575274 212045823 /nfs/dbraw/zinc/04/58/23/212045823.db2.gz XNIGATOWDBZRCB-QLFBSQMISA-N 1 0 346.858 3.239 40 0 EGABRO COc1ccc(OC)c(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000019359422 212021475 /nfs/dbraw/zinc/02/14/75/212021475.db2.gz AJFSFBSOIUMROK-FRQCXROJSA-N 1 0 330.472 3.010 40 0 EGABRO Cn1c(C(=O)N2CCC[C@H](C[NH+](C)C)C2)cc2cc(Cl)ccc21 ZINC000019289735 212012012 /nfs/dbraw/zinc/01/20/12/212012012.db2.gz NYQICGBYNIYWOM-CYBMUJFWSA-N 1 0 333.863 3.246 40 0 EGABRO CCOc1c(OC)cc(C[NH2+]C[C@@H](O)c2ccccc2F)cc1OC ZINC000078394137 217047040 /nfs/dbraw/zinc/04/70/40/217047040.db2.gz YRWBVQHRYOTQLP-MRXNPFEDSA-N 1 0 349.402 3.065 40 0 EGABRO C[C@H]([NH2+]C1(CNC(=O)C[C@H]2C=CCC2)CCOCC1)c1ccccc1 ZINC000079096330 217191718 /nfs/dbraw/zinc/19/17/18/217191718.db2.gz PJPQVPKDPGKLEJ-ROUUACIJSA-N 1 0 342.483 3.359 40 0 EGABRO Fc1ccc(Cn2c3ccccc3nc2OC[C@H]2CC[NH2+]C2)cc1 ZINC000079440685 217224816 /nfs/dbraw/zinc/22/48/16/217224816.db2.gz AEZZSFYWMDVYQU-HNNXBMFYSA-N 1 0 325.387 3.212 40 0 EGABRO CN(C(=O)CCc1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000080504341 217310585 /nfs/dbraw/zinc/31/05/85/217310585.db2.gz WFSGJFLJXMFTRS-HXUWFJFHSA-N 1 0 337.467 3.137 40 0 EGABRO CCCc1ncc(C[N@@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012242197 211330382 /nfs/dbraw/zinc/33/03/82/211330382.db2.gz BZFBRXQMFYRJOP-FQEVSTJZSA-N 1 0 343.446 3.442 40 0 EGABRO C[C@H]1Cc2cc([C@@H](O)C[NH+]3CCCC3)ccc2N1C(=O)C(C)(C)C ZINC000012181142 211310967 /nfs/dbraw/zinc/31/09/67/211310967.db2.gz WTNACWRXGAWWKC-KSSFIOAISA-N 1 0 330.472 3.140 40 0 EGABRO COc1ccc([C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128566 211299547 /nfs/dbraw/zinc/29/95/47/211299547.db2.gz KFOLDJXAPYCOIP-RBUKOAKNSA-N 1 0 334.423 3.197 40 0 EGABRO Fc1cc(F)cc(C[NH+]2CCC(c3[nH]nc4nccnc43)CC2)c1 ZINC000012126704 211299169 /nfs/dbraw/zinc/29/91/69/211299169.db2.gz NWJZTGBCEBQTCS-UHFFFAOYSA-N 1 0 329.354 3.011 40 0 EGABRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)o1)c1cccs1 ZINC000010328482 211164045 /nfs/dbraw/zinc/16/40/45/211164045.db2.gz RUUSTYKGZKRGMR-SECBINFHSA-N 1 0 343.246 3.136 40 0 EGABRO COC[C@H]1CCC[N@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093337331 218215896 /nfs/dbraw/zinc/21/58/96/218215896.db2.gz LVCAMNIOPOWGCM-IBGZPJMESA-N 1 0 327.472 3.407 40 0 EGABRO CN(C(=O)C[N@H+](C)C1CC1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000095405836 218341372 /nfs/dbraw/zinc/34/13/72/218341372.db2.gz IAABORMMHDJPFU-IBGZPJMESA-N 1 0 345.393 3.002 40 0 EGABRO CCc1ccc([C@@H]2[C@H](C[NH3+])[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000242688575 257683779 /nfs/dbraw/zinc/68/37/79/257683779.db2.gz VTEDGAUWJJZECN-IPMKNSEASA-N 1 0 329.465 3.072 40 0 EGABRO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[NH2+]C3)nn2c1 ZINC000306126077 257918592 /nfs/dbraw/zinc/91/85/92/257918592.db2.gz DLTDYEKRHJGUQM-GFCCVEGCSA-N 1 0 326.375 3.011 40 0 EGABRO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000191736658 273808006 /nfs/dbraw/zinc/80/80/06/273808006.db2.gz YDFXWGSSGACZSS-SECBINFHSA-N 1 0 346.656 3.270 40 0 EGABRO O[C@H](C[N@@H+]1CCC[C@](O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000072343226 275057013 /nfs/dbraw/zinc/05/70/13/275057013.db2.gz FEYIPQUQFKKAGF-WOJBJXKFSA-N 1 0 347.405 3.372 40 0 EGABRO c1coc(C[NH+]2CCC3(CCOC[C@H]3COc3cccnc3)CC2)c1 ZINC000096209748 275074523 /nfs/dbraw/zinc/07/45/23/275074523.db2.gz YNLJJVLBSOLIHN-KRWDZBQOSA-N 1 0 342.439 3.372 40 0 EGABRO C[N@@H+]1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCCN2C(=O)c1ccno1 ZINC000257221376 277195450 /nfs/dbraw/zinc/19/54/50/277195450.db2.gz DOTYYYTYBWLKNB-LNLFQRSKSA-N 1 0 339.439 3.157 40 0 EGABRO CC(C)C[C@@H](c1nnnn1C(C)(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000019446783 279004055 /nfs/dbraw/zinc/00/40/55/279004055.db2.gz AAVRWCVQVQLUQE-KRWDZBQOSA-N 1 0 348.539 3.076 40 0 EGABRO Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@H]2C[NH3+])cc1 ZINC000218578405 280933954 /nfs/dbraw/zinc/93/39/54/280933954.db2.gz NTOUEURIXZHWAP-IXDOHACOSA-N 1 0 335.856 3.163 40 0 EGABRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000110704157 281350113 /nfs/dbraw/zinc/35/01/13/281350113.db2.gz MZEFXJUDTNUWJP-FCEWJHQRSA-N 1 0 348.512 3.356 40 0 EGABRO Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC000019572864 301254087 /nfs/dbraw/zinc/25/40/87/301254087.db2.gz HGZVADMWPWEXDO-RTBURBONSA-N 1 0 346.519 3.318 40 0 EGABRO C[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCN1c1nc2ccccc2o1 ZINC000535086071 314026023 /nfs/dbraw/zinc/02/60/23/314026023.db2.gz XVCWORQDXZUMCO-CQSZACIVSA-N 1 0 347.422 3.415 40 0 EGABRO CC[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1cnn(C)c1 ZINC000089510160 323214596 /nfs/dbraw/zinc/21/45/96/323214596.db2.gz ORMLRMSMVVISGN-HNNXBMFYSA-N 1 0 335.835 3.476 40 0 EGABRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000157291772 323222467 /nfs/dbraw/zinc/22/24/67/323222467.db2.gz ZZNZEUUZHXAIND-AWEZNQCLSA-N 1 0 339.501 3.339 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000163683436 323223980 /nfs/dbraw/zinc/22/39/80/323223980.db2.gz LBKCZNKXDLGURG-OALUTQOASA-N 1 0 345.487 3.080 40 0 EGABRO CC[NH+](CC)CCNC(=O)COc1ccc(Cc2ccccc2)cc1 ZINC000001734070 452676639 /nfs/dbraw/zinc/67/66/39/452676639.db2.gz GGHANPASBHGEFU-UHFFFAOYSA-N 1 0 340.467 3.114 40 0 EGABRO COc1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1 ZINC000002528003 452704543 /nfs/dbraw/zinc/70/45/43/452704543.db2.gz LTPZRJVQINAVQO-UHFFFAOYSA-N 1 0 329.383 3.220 40 0 EGABRO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H]3c3cccs3)nc12 ZINC000007989573 453147059 /nfs/dbraw/zinc/14/70/59/453147059.db2.gz FVQBSTGKTIPAER-HNNXBMFYSA-N 1 0 325.437 3.402 40 0 EGABRO COc1ccc(C2([NH2+]Cc3cnc(N4CCCCC4)nc3)CC2)cc1 ZINC000012238652 453351402 /nfs/dbraw/zinc/35/14/02/453351402.db2.gz OGJQYPJQBAQQKN-UHFFFAOYSA-N 1 0 338.455 3.254 40 0 EGABRO CC[C@]12C=CC[N@H+]3CC[C@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000014719345 453542265 /nfs/dbraw/zinc/54/22/65/453542265.db2.gz FNGGIPWAZSFKCN-PCCBWWKXSA-N 1 0 336.435 3.221 40 0 biogenic,in-vitro EGABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4ccccc4F)C3)cc(N)n2n1 ZINC000019129325 453654517 /nfs/dbraw/zinc/65/45/17/453654517.db2.gz BLVQRZJTILOHOJ-HNNXBMFYSA-N 1 0 339.418 3.139 40 0 EGABRO O=C1NC[C@H](C2CC[NH+](Cc3ccccc3)CC2)Oc2ccccc21 ZINC000019371816 453655954 /nfs/dbraw/zinc/65/59/54/453655954.db2.gz QEOHEOJPIUWENK-HXUWFJFHSA-N 1 0 336.435 3.090 40 0 EGABRO CC(C)[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000032804190 453891870 /nfs/dbraw/zinc/89/18/70/453891870.db2.gz VYNIXJQCRKRUKK-CYBMUJFWSA-N 1 0 343.393 3.058 40 0 EGABRO O=C(NCc1ccncc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039750121 453945796 /nfs/dbraw/zinc/94/57/96/453945796.db2.gz GNTDUYPVSCMJFW-UHFFFAOYSA-N 1 0 343.858 3.263 40 0 EGABRO COc1ccc(COCc2cccc(NC(=O)[C@H]3CCC[NH2+]3)c2)cc1 ZINC000070807988 454177478 /nfs/dbraw/zinc/17/74/78/454177478.db2.gz WBUXPAGPQUTPPY-LJQANCHMSA-N 1 0 340.423 3.103 40 0 EGABRO CCOc1ccc(-c2nnc([C@H]([NH3+])Cc3ccccc3)[nH]2)cc1OC ZINC000095534938 454230690 /nfs/dbraw/zinc/23/06/90/454230690.db2.gz CNMXYLPOXHRTAZ-OAHLLOKOSA-N 1 0 338.411 3.122 40 0 EGABRO COc1ccc(OC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)cc1O ZINC000095932564 454232837 /nfs/dbraw/zinc/23/28/37/454232837.db2.gz HEJVUVGUVCOISV-PBHICJAKSA-N 1 0 331.387 3.312 40 0 EGABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000096039142 454265438 /nfs/dbraw/zinc/26/54/38/454265438.db2.gz CIKOGMGUTKCFOG-PMACEKPBSA-N 1 0 326.440 3.252 40 0 EGABRO Fc1ccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)cc1 ZINC000096047891 454271255 /nfs/dbraw/zinc/27/12/55/454271255.db2.gz KNRVYPCAAPOWGO-IBGZPJMESA-N 1 0 342.414 3.423 40 0 EGABRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4nccs4)C3)C2=O)c1 ZINC000096050568 454272294 /nfs/dbraw/zinc/27/22/94/454272294.db2.gz MBISJWLHZXUBSE-LJQANCHMSA-N 1 0 341.480 3.076 40 0 EGABRO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@H+](Cc1ccoc1)C2 ZINC000096050614 454272838 /nfs/dbraw/zinc/27/28/38/454272838.db2.gz KLQBEMKVNCVWMV-LJQANCHMSA-N 1 0 328.387 3.043 40 0 EGABRO C[N@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)N1CCCC1)CC2 ZINC000096051608 454272881 /nfs/dbraw/zinc/27/28/81/454272881.db2.gz OPKYCPYQTSFPOR-QGZVFWFLSA-N 1 0 331.460 3.172 40 0 EGABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)co1 ZINC000096057064 454274047 /nfs/dbraw/zinc/27/40/47/454274047.db2.gz DLQBAGIQYTWPDK-IEBWSBKVSA-N 1 0 328.412 3.125 40 0 EGABRO C[C@H]1C[N@H+](Cc2cccs2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000096061277 454276803 /nfs/dbraw/zinc/27/68/03/454276803.db2.gz XAOWZDGOHRQSMX-UCLAIMLFSA-N 1 0 348.512 3.034 40 0 EGABRO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccsc3)C[C@H]12 ZINC000096058429 454277014 /nfs/dbraw/zinc/27/70/14/454277014.db2.gz XYEYHYGWKWWJAF-HKUYNNGSSA-N 1 0 326.465 3.236 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC000096077396 454279657 /nfs/dbraw/zinc/27/96/57/454279657.db2.gz ARYFIXFPDLVYBQ-FQEVSTJZSA-N 1 0 339.439 3.229 40 0 EGABRO Cc1noc(C)c1C[NH+]1CCC2(CCOC[C@@H]2COCC2CC2)CC1 ZINC000096106460 454284230 /nfs/dbraw/zinc/28/42/30/454284230.db2.gz BKBDEPDOYPNZRN-GOSISDBHSA-N 1 0 348.487 3.337 40 0 EGABRO Cc1ncsc1C[N@@H+]1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000096107374 454285063 /nfs/dbraw/zinc/28/50/63/454285063.db2.gz AVLDRIPRUFDZDK-QAPCUYQASA-N 1 0 345.468 3.049 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3nccs3)CC[C@@H]2OC)cc1 ZINC000096110548 454287387 /nfs/dbraw/zinc/28/73/87/454287387.db2.gz OUZOPJAAKZHYDM-RDJZCZTQSA-N 1 0 332.469 3.231 40 0 EGABRO Cc1nc(C[N@@H+]2CCC3(C2)CCN(c2ncc(C)cn2)CC3)cs1 ZINC000096157432 454294299 /nfs/dbraw/zinc/29/42/99/454294299.db2.gz MUMYQWPVNKGEPP-UHFFFAOYSA-N 1 0 343.500 3.042 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CC(F)(F)F)C3)C2)o1 ZINC000096215956 454305424 /nfs/dbraw/zinc/30/54/24/454305424.db2.gz YXBWOEGYLBSIFD-MRXNPFEDSA-N 1 0 344.377 3.355 40 0 EGABRO C[C@H](C(=O)NCCCc1nc2c(s1)CCCC2)[NH+]1CCCCCC1 ZINC000078725608 454306831 /nfs/dbraw/zinc/30/68/31/454306831.db2.gz DTXVAXANERFMJU-OAHLLOKOSA-N 1 0 349.544 3.335 40 0 EGABRO Fc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2nncs2)C3)cc1 ZINC000096217163 454307821 /nfs/dbraw/zinc/30/78/21/454307821.db2.gz KTEWRSQAFFUMLU-KRWDZBQOSA-N 1 0 332.448 3.170 40 0 EGABRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4cccnc4)C3)CC2=O)s1 ZINC000096239336 454310632 /nfs/dbraw/zinc/31/06/32/454310632.db2.gz WYTBAGAJVPJZCV-GOSISDBHSA-N 1 0 327.453 3.081 40 0 EGABRO COc1ccc(Cl)cc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000060845134 454315679 /nfs/dbraw/zinc/31/56/79/454315679.db2.gz SORIESODVSKWTA-OKILXGFUSA-N 1 0 338.879 3.446 40 0 EGABRO CCN(C(=O)Cc1cccnc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000096410051 454328247 /nfs/dbraw/zinc/32/82/47/454328247.db2.gz SFLZGBKELHZEKC-FXAWDEMLSA-N 1 0 337.467 3.308 40 0 EGABRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)n1C ZINC000096441182 454350907 /nfs/dbraw/zinc/35/09/07/454350907.db2.gz YSGRKJFYMWSYFT-IBGZPJMESA-N 1 0 339.483 3.318 40 0 EGABRO C[C@H]([NH2+][C@H]1CCSC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000096477601 454363720 /nfs/dbraw/zinc/36/37/20/454363720.db2.gz FEGMRGJEQNQSPW-GUYCJALGSA-N 1 0 327.453 3.490 40 0 EGABRO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(C)C ZINC000096493356 454370064 /nfs/dbraw/zinc/37/00/64/454370064.db2.gz LBASTJWENLIVCA-MSOLQXFVSA-N 1 0 348.462 3.224 40 0 EGABRO CCc1c(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cnn1CC(C)C ZINC000096499596 454371004 /nfs/dbraw/zinc/37/10/04/454371004.db2.gz PXAHANOUXZAAQS-QAPCUYQASA-N 1 0 347.507 3.050 40 0 EGABRO CC(C)(C)c1ccc(NC2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000096494506 454371111 /nfs/dbraw/zinc/37/11/11/454371111.db2.gz NYCLCUYUFTZEKH-UHFFFAOYSA-N 1 0 345.531 3.193 40 0 EGABRO COc1ccc(F)cc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000097103687 454407548 /nfs/dbraw/zinc/40/75/48/454407548.db2.gz LGCKAYWIHLKTEY-AWEZNQCLSA-N 1 0 335.423 3.174 40 0 EGABRO CC(C)Oc1ccc([C@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000097101590 454407555 /nfs/dbraw/zinc/40/75/55/454407555.db2.gz IWABPKHJVMIWBF-HOTGVXAUSA-N 1 0 333.476 3.128 40 0 EGABRO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000097233874 454428918 /nfs/dbraw/zinc/42/89/18/454428918.db2.gz SEQQJUWCRNUFSG-FZKQIMNGSA-N 1 0 348.878 3.096 40 0 EGABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1ccccc1Br ZINC000073642214 454463039 /nfs/dbraw/zinc/46/30/39/454463039.db2.gz MIBWANVIUFHGDY-UHFFFAOYSA-N 1 0 344.212 3.111 40 0 EGABRO c1cnc(Oc2ccc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)cc2)cn1 ZINC000093866228 454740836 /nfs/dbraw/zinc/74/08/36/454740836.db2.gz KFTXLPGCJOVMOO-LJQANCHMSA-N 1 0 348.406 3.317 40 0 EGABRO c1cnc(N[C@@H]2CCOC3(CC[NH+](C[C@@H]4CC=CCC4)CC3)C2)nc1 ZINC000108534564 454802434 /nfs/dbraw/zinc/80/24/34/454802434.db2.gz NNYWJBKARIBODU-QZTJIDSGSA-N 1 0 342.487 3.258 40 0 EGABRO C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246393361 455481737 /nfs/dbraw/zinc/48/17/37/455481737.db2.gz PGQPCSVQHUHEHL-BYCMXARLSA-N 1 0 326.362 3.052 40 0 EGABRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2F)C1 ZINC000127759247 454994613 /nfs/dbraw/zinc/99/46/13/454994613.db2.gz RRLTVFNIJTWRHW-PWSUYJOCSA-N 1 0 343.240 3.250 40 0 EGABRO FC(F)(F)c1ccccc1[C@@H]1CN(CC2=CCCOC2)CCO1 ZINC000182386350 455502382 /nfs/dbraw/zinc/50/23/82/455502382.db2.gz LRVOJSUHILITMC-INIZCTEOSA-N 1 0 327.346 3.425 40 0 EGABRO C[C@@H](Oc1cccc2ccccc21)C(=O)NCCC1CC[NH+](C)CC1 ZINC000192477566 455627200 /nfs/dbraw/zinc/62/72/00/455627200.db2.gz NALWPNUWORUSMA-MRXNPFEDSA-N 1 0 340.467 3.455 40 0 EGABRO C[C@H](Oc1cccc2ccccc21)C(=O)NCCC1CC[NH+](C)CC1 ZINC000192477552 455627436 /nfs/dbraw/zinc/62/74/36/455627436.db2.gz NALWPNUWORUSMA-INIZCTEOSA-N 1 0 340.467 3.455 40 0 EGABRO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)C[C@@H]2CC=CCC2)n1 ZINC000247883219 455652378 /nfs/dbraw/zinc/65/23/78/455652378.db2.gz CPLVJSANCGWLTC-MOPGFXCFSA-N 1 0 343.471 3.312 40 0 EGABRO Cc1cc2nc([C@H]3CCC[N@H+](C[C@@H]4CC=CCC4)C3)cc(N)n2n1 ZINC000248338510 455704916 /nfs/dbraw/zinc/70/49/16/455704916.db2.gz ROFPWHZCLSZMHV-CVEARBPZSA-N 1 0 325.460 3.156 40 0 EGABRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(N2CCOC2=O)cc1 ZINC000248756004 455729327 /nfs/dbraw/zinc/72/93/27/455729327.db2.gz VFJODHIIHONNLJ-LIRZEXBASA-N 1 0 342.439 3.251 40 0 EGABRO COC[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)cc1 ZINC000194102150 455802171 /nfs/dbraw/zinc/80/21/71/455802171.db2.gz XAOWKMCRJGQYNQ-IRXDYDNUSA-N 1 0 346.862 3.076 40 0 EGABRO Brc1ccc([C@@H]2CCC[N@@H+]2CCC2OCCO2)s1 ZINC000252490921 455811701 /nfs/dbraw/zinc/81/17/01/455811701.db2.gz LEXYFNQEKJYDTK-JTQLQIEISA-N 1 0 332.263 3.411 40 0 EGABRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000252491761 455813135 /nfs/dbraw/zinc/81/31/35/455813135.db2.gz LSLYAQSNZAROCF-CYBMUJFWSA-N 1 0 328.460 3.157 40 0 EGABRO COc1ccc([C@H]2[C@@H](CNC(=O)C3(SC)CC3)CCC[N@@H+]2C)cc1 ZINC000252499962 455815292 /nfs/dbraw/zinc/81/52/92/455815292.db2.gz SJZJRTORYXMECC-WBVHZDCISA-N 1 0 348.512 3.090 40 0 EGABRO Cc1nccnc1[C@@H](C)[NH2+]C1CCN(Cc2ccccc2F)CC1 ZINC000252498533 455815411 /nfs/dbraw/zinc/81/54/11/455815411.db2.gz RECHJDNQKBOUMM-OAHLLOKOSA-N 1 0 328.435 3.239 40 0 EGABRO CN(C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000252509050 455817252 /nfs/dbraw/zinc/81/72/52/455817252.db2.gz YBSVSYSDPNQMMK-LEWJYISDSA-N 1 0 343.515 3.036 40 0 EGABRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@H]3CCCc4cccc2c43)C1 ZINC000252584626 455823031 /nfs/dbraw/zinc/82/30/31/455823031.db2.gz BRLLKDOCVALNIU-LESCRADOSA-N 1 0 327.472 3.144 40 0 EGABRO C[C@@H](C[S@@](C)=O)[N@H+](C)C1CC(c2ccc(Br)cc2)C1 ZINC000194482732 455848721 /nfs/dbraw/zinc/84/87/21/455848721.db2.gz CJCPVIKUBMXCIW-XXKANDRNSA-N 1 0 344.318 3.394 40 0 EGABRO COc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+]2C2CCOCC2)c1 ZINC000257230960 455880404 /nfs/dbraw/zinc/88/04/04/455880404.db2.gz GEPPEOCXQJQWBV-SFHVURJKSA-N 1 0 327.428 3.401 40 0 EGABRO Cc1nc(C[N@H+]2CCC[C@H](Cc3cnc(N(C)C)cn3)CC2)cs1 ZINC000257312594 455888832 /nfs/dbraw/zinc/88/88/32/455888832.db2.gz UOSMMRRHNWMMJS-HNNXBMFYSA-N 1 0 345.516 3.152 40 0 EGABRO CN(C)c1nc([C@H]2CCC[N@H+](Cc3cccnc3)C2)cn2cccc12 ZINC000257311491 455889347 /nfs/dbraw/zinc/88/93/47/455889347.db2.gz UJSGXYSKAJBFKI-KRWDZBQOSA-N 1 0 335.455 3.175 40 0 EGABRO c1ccc(CO[C@H]2CC[N@H+](Cc3cccnc3)C[C@@]23CCCO3)cc1 ZINC000257315595 455889516 /nfs/dbraw/zinc/88/95/16/455889516.db2.gz VCBUIHJHLMKNAY-SFTDATJTSA-N 1 0 338.451 3.422 40 0 EGABRO Cc1ccc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)s1 ZINC000257319414 455890524 /nfs/dbraw/zinc/89/05/24/455890524.db2.gz VSIXVGONBPTASH-INIZCTEOSA-N 1 0 345.468 3.040 40 0 EGABRO Cc1[nH+]cc2cncc(C3CCN(C(=O)c4cccc(F)c4)CC3)n12 ZINC000257317920 455890996 /nfs/dbraw/zinc/89/09/96/455890996.db2.gz VLSOAJVFJTYNFF-UHFFFAOYSA-N 1 0 338.386 3.197 40 0 EGABRO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)Cc2ccsc2)nc1 ZINC000257336121 455894533 /nfs/dbraw/zinc/89/45/33/455894533.db2.gz YNHBPYBQJHMWQU-QGZVFWFLSA-N 1 0 329.469 3.111 40 0 EGABRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cc2ccccc2s1 ZINC000188302517 456039115 /nfs/dbraw/zinc/03/91/15/456039115.db2.gz SPTMVSHULUINCB-NWANDNLSSA-N 1 0 332.469 3.188 40 0 EGABRO CCOc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1OCC ZINC000225063869 456073278 /nfs/dbraw/zinc/07/32/78/456073278.db2.gz URIBWIWWYWMTJU-UHFFFAOYSA-N 1 0 334.460 3.090 40 0 EGABRO CC[C@@H]1CCC[N@H+](CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)C1 ZINC000225381256 456077847 /nfs/dbraw/zinc/07/78/47/456077847.db2.gz VYIUCDWHFXKMMK-KHYOSLBOSA-N 1 0 335.492 3.203 40 0 EGABRO Cn1cccc1[C@@H]1CCCN1C(=O)Cc1cncn1Cc1ccccc1 ZINC000225555013 456091793 /nfs/dbraw/zinc/09/17/93/456091793.db2.gz BEKGVJFGGAXGCI-FQEVSTJZSA-N 1 0 348.450 3.176 40 0 EGABRO C[C@@H]1CCC[N@H+](CCOc2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000225586714 456095120 /nfs/dbraw/zinc/09/51/20/456095120.db2.gz CBIBFDFGJREGDU-GFCCVEGCSA-N 1 0 330.350 3.298 40 0 EGABRO COc1ccccc1NC(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225576779 456095158 /nfs/dbraw/zinc/09/51/58/456095158.db2.gz RMDUYLPMHXAWNE-HNNXBMFYSA-N 1 0 349.500 3.034 40 0 EGABRO O=C(Cc1ccc(Cl)cc1F)NCCC[NH+]1CCCCCC1 ZINC000225713343 456105432 /nfs/dbraw/zinc/10/54/32/456105432.db2.gz RIIVGQMYEDGSOA-UHFFFAOYSA-N 1 0 326.843 3.404 40 0 EGABRO CC[C@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1c(C)noc1C ZINC000189188580 456249473 /nfs/dbraw/zinc/24/94/73/456249473.db2.gz NSAPUGHYSBBBFF-SFHVURJKSA-N 1 0 341.455 3.307 40 0 EGABRO OC[C@]1([NH2+]Cc2cccc3c2OCCCO3)CCCc2ccccc21 ZINC000282318596 456475286 /nfs/dbraw/zinc/47/52/86/456475286.db2.gz KWKBRWPORJUWEX-OAQYLSRUSA-N 1 0 339.435 3.162 40 0 EGABRO COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000363521228 457356320 /nfs/dbraw/zinc/35/63/20/457356320.db2.gz YIUSFRMITVPAOT-JQFCIGGWSA-N 1 0 349.450 3.164 40 0 EGABRO CC(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)o1 ZINC000582165491 459319099 /nfs/dbraw/zinc/31/90/99/459319099.db2.gz GUCZJZPIEYUAIV-HNNXBMFYSA-N 1 0 340.423 3.076 40 0 EGABRO Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CC[N@@H+]3CC2CCCCC2)cs1 ZINC000585109104 459825193 /nfs/dbraw/zinc/82/51/93/459825193.db2.gz VCTDKSOZDABPGG-IRXDYDNUSA-N 1 0 333.501 3.207 40 0 EGABRO CC(=O)N1CCC[C@H]([NH2+]Cc2ccccn2)[C@@H]1Cc1ccc(C)cc1 ZINC000585286168 459833905 /nfs/dbraw/zinc/83/39/05/459833905.db2.gz OMCCKCWZOSTGOC-SFTDATJTSA-N 1 0 337.467 3.102 40 0 EGABRO Cc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000129660462 533752434 /nfs/dbraw/zinc/75/24/34/533752434.db2.gz SWSJASRWIZTGPB-LPHOPBHVSA-N 1 0 343.496 3.193 40 0 EGABRO COCCn1ccnc1[C@@H]1C[N@H+](Cc2ccoc2)Cc2ccccc21 ZINC000306130486 547459910 /nfs/dbraw/zinc/45/99/10/547459910.db2.gz JHUASNUICFGCAD-LJQANCHMSA-N 1 0 337.423 3.270 40 0 EGABRO CC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC000027979693 1291298372 /nfs/dbraw/zinc/29/83/72/1291298372.db2.gz GHSLATOBTUFKCB-UHFFFAOYSA-N 1 0 341.411 3.476 40 0 EGABRO COc1cccc([C@H]([NH3+])CCc2cc(OC)c(OC)c(OC)c2)c1 ZINC000001667133 209777180 /nfs/dbraw/zinc/77/71/80/209777180.db2.gz CTVXYHWBWWUPHZ-MRXNPFEDSA-N 1 0 331.412 3.354 40 0 EGABRO CCOCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038856808 213227981 /nfs/dbraw/zinc/22/79/81/213227981.db2.gz HNDYLGCGNCGTGA-MRXNPFEDSA-N 1 0 338.879 3.095 40 0 EGABRO c1cc(-c2noc([C@@H]3CCC[N@H+]3C3CCC3)n2)cc(N2CCCC2)n1 ZINC000035426350 213027343 /nfs/dbraw/zinc/02/73/43/213027343.db2.gz MIPLKJPTQFTNCT-INIZCTEOSA-N 1 0 339.443 3.421 40 0 biogenic,in-vitro EGABRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1Cc2ccccc2O1 ZINC000032761916 212837213 /nfs/dbraw/zinc/83/72/13/212837213.db2.gz BNCXYRXEONLWIS-DOTOQJQBSA-N 1 0 342.464 3.005 40 0 EGABRO COc1ccc(CN(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)ccn2)cc1 ZINC000072369352 216175921 /nfs/dbraw/zinc/17/59/21/216175921.db2.gz TVHDQKLPHQGTAU-IBGZPJMESA-N 1 0 339.439 3.129 40 0 EGABRO Cc1ccnc(NC(=O)CCc2cc(C)nc([C@@H]3CCC[N@H+]3C)c2)c1 ZINC000072366934 216173059 /nfs/dbraw/zinc/17/30/59/216173059.db2.gz ICUSSGWXLYMJLV-SFHVURJKSA-N 1 0 338.455 3.431 40 0 EGABRO c1cncc(Oc2cncc([C@@H]3CCC[N@H+](C4CCOCC4)C3)n2)c1 ZINC000072384249 216185915 /nfs/dbraw/zinc/18/59/15/216185915.db2.gz SCDQHDODWAWDEJ-OAHLLOKOSA-N 1 0 340.427 3.022 40 0 EGABRO c1ncc(C[N@H+]2CCC[C@H](Cc3ccc(NC4CCCC4)nn3)C2)[nH]1 ZINC000072387290 216187185 /nfs/dbraw/zinc/18/71/85/216187185.db2.gz CXHMOZCYDRBMBQ-OAHLLOKOSA-N 1 0 340.475 3.009 40 0 EGABRO Cc1nc(NCc2ccccc2)cc([C@@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC000072387475 216186721 /nfs/dbraw/zinc/18/67/21/216186721.db2.gz NIWKKAAGYVUUMD-IBGZPJMESA-N 1 0 338.455 3.323 40 0 EGABRO Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2ccccc2C(F)(F)F)on1 ZINC000072395119 216193035 /nfs/dbraw/zinc/19/30/35/216193035.db2.gz YPNXTKFERNPQHK-CZUORRHYSA-N 1 0 340.345 3.349 40 0 EGABRO CCOc1ccccc1C(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023128002 212352315 /nfs/dbraw/zinc/35/23/15/212352315.db2.gz GOQPGDKLXYRFSV-UHFFFAOYSA-N 1 0 342.439 3.320 40 0 EGABRO CCCOc1cc2c(cc1CN(C)CC[NH+]1CCCCC1)OCO2 ZINC000022916174 212334734 /nfs/dbraw/zinc/33/47/34/212334734.db2.gz WHUFJRKDXCSOLI-UHFFFAOYSA-N 1 0 334.460 3.122 40 0 EGABRO COc1ccc([C@H](CNC(=O)/C=C/c2cccs2)[NH+](C)C)cc1 ZINC000022414405 212295575 /nfs/dbraw/zinc/29/55/75/212295575.db2.gz PNFYMAIUVAXZND-DVQDXYAYSA-N 1 0 330.453 3.189 40 0 EGABRO O[C@@H]1CCCOC12CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000257208127 244141577 /nfs/dbraw/zinc/14/15/77/244141577.db2.gz BKWQYBBLEYCXOG-OAHLLOKOSA-N 1 0 329.362 3.211 40 0 EGABRO Cc1ncc(CN(C)C)c([C@@H]2CCC[N@@H+]2CCc2ccc(F)cc2)n1 ZINC000257215395 244163202 /nfs/dbraw/zinc/16/32/02/244163202.db2.gz CPYFTDCSGHUIJD-IBGZPJMESA-N 1 0 342.462 3.365 40 0 EGABRO Cc1ncsc1C[N@@H+]1CCC[C@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257222489 244189067 /nfs/dbraw/zinc/18/90/67/244189067.db2.gz DTLWDBDHQUWTSY-ZDUSSCGKSA-N 1 0 340.456 3.011 40 0 EGABRO C[C@]12CC[N@H+](Cc3ccccn3)[C@H]1CCC(=O)N2Cc1ccccc1 ZINC000257225658 244198304 /nfs/dbraw/zinc/19/83/04/244198304.db2.gz FHFLJPMIORPBRL-FPOVZHCZSA-N 1 0 335.451 3.237 40 0 EGABRO CN1CC[N@H+](CC2CC2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019589674 212048430 /nfs/dbraw/zinc/04/84/30/212048430.db2.gz IBBCURJMQVBINK-FQEVSTJZSA-N 1 0 349.478 3.091 40 0 EGABRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000019552543 212040720 /nfs/dbraw/zinc/04/07/20/212040720.db2.gz MYERRLQVWZPRHM-ZWKOTPCHSA-N 1 0 331.387 3.115 40 0 EGABRO O=C1NC[C@@H]([C@H]2CCC[N@H+](Cc3ccccc3)C2)Oc2ccccc21 ZINC000019371936 212022601 /nfs/dbraw/zinc/02/26/01/212022601.db2.gz GGNONQJFXASSTJ-PXNSSMCTSA-N 1 0 336.435 3.090 40 0 EGABRO OC1(Cn2ccc3ncccc32)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019346457 212019642 /nfs/dbraw/zinc/01/96/42/212019642.db2.gz HBPIXTMQKDRZGL-QGZVFWFLSA-N 1 0 325.456 3.220 40 0 EGABRO O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019292248 212011584 /nfs/dbraw/zinc/01/15/84/212011584.db2.gz LSQQIPQBHLDSGJ-SFHVURJKSA-N 1 0 342.487 3.146 40 0 EGABRO Cc1cnc(-c2nc([C@H]3CCC[N@H+](Cc4cccs4)C3)no2)cn1 ZINC000019239035 212008532 /nfs/dbraw/zinc/00/85/32/212008532.db2.gz HOGJHMAFALPUKW-ZDUSSCGKSA-N 1 0 341.440 3.276 40 0 EGABRO C[C@H]([NH2+]C1(CNC(=O)c2ccsc2)CCOCC1)c1ccccc1 ZINC000079096412 217191766 /nfs/dbraw/zinc/19/17/66/217191766.db2.gz LKQRTQSKMULRMX-HNNXBMFYSA-N 1 0 344.480 3.378 40 0 EGABRO CCO[C@@H]1CCCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000079336496 217211015 /nfs/dbraw/zinc/21/10/15/217211015.db2.gz BMRRNBUDNBKPHC-LJQANCHMSA-N 1 0 330.472 3.312 40 0 EGABRO COc1ccccc1/C=C\C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000012337548 211351322 /nfs/dbraw/zinc/35/13/22/211351322.db2.gz FXLNACANJOYSPP-WRLNGNIRSA-N 1 0 325.412 3.002 40 0 EGABRO COc1ccc([C@H](O)C[NH+]2CCC(O)(c3cccc(C)c3)CC2)cc1 ZINC000012292497 211334704 /nfs/dbraw/zinc/33/47/04/211334704.db2.gz VZCNBHFQKGKKCE-HXUWFJFHSA-N 1 0 341.451 3.021 40 0 EGABRO Cc1nc(-c2cc(C)ccc2C)c(CC(=O)N(C)CC[NH+](C)C)s1 ZINC000012238213 211328836 /nfs/dbraw/zinc/32/88/36/211328836.db2.gz XKKFHIMQPFQLFM-UHFFFAOYSA-N 1 0 345.512 3.298 40 0 EGABRO COc1ccc([C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128528 211298889 /nfs/dbraw/zinc/29/88/89/211298889.db2.gz CKWOIKBUUVANKW-RBUKOAKNSA-N 1 0 334.423 3.197 40 0 EGABRO Fc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3cccn3)CC2)cc1 ZINC000092618009 218154330 /nfs/dbraw/zinc/15/43/30/218154330.db2.gz VDOUNGRDRBMGFW-UHFFFAOYSA-N 1 0 325.391 3.249 40 0 EGABRO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)c1 ZINC000095420982 218361896 /nfs/dbraw/zinc/36/18/96/218361896.db2.gz NRRUILMHAAYNAF-CYBMUJFWSA-N 1 0 329.419 3.102 40 0 EGABRO O=C1CCC2(CC[NH+](Cc3cccnc3)CC2)N1Cc1ccccc1 ZINC000096049421 218538741 /nfs/dbraw/zinc/53/87/41/218538741.db2.gz YRDJYVAJSMCDOH-UHFFFAOYSA-N 1 0 335.451 3.239 40 0 EGABRO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]CCCOC(C)C ZINC000006549068 210651357 /nfs/dbraw/zinc/65/13/57/210651357.db2.gz AFVPHEOMHPZSEE-GOSISDBHSA-N 1 0 337.504 3.437 40 0 EGABRO O=C(NCC[C@@H]1CCCCO1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000096500355 218875817 /nfs/dbraw/zinc/87/58/17/218875817.db2.gz JGYVZQGXIWLMQT-ABHNRTSZSA-N 1 0 337.508 3.042 40 0 EGABRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1cccc(F)c1F ZINC000097234314 219002480 /nfs/dbraw/zinc/00/24/80/219002480.db2.gz HWQMXLNTAGFVEC-XEZPLFJOSA-N 1 0 337.414 3.152 40 0 EGABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000004865654 210304972 /nfs/dbraw/zinc/30/49/72/210304972.db2.gz IPLAQDHNOPLIEJ-YDHLFZDLSA-N 1 0 342.277 3.452 40 0 EGABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1cnn(C)c1C ZINC000036741272 285283402 /nfs/dbraw/zinc/28/34/02/285283402.db2.gz FPWHNWCNJXNMLH-KRWDZBQOSA-N 1 0 332.517 3.277 40 0 EGABRO Cc1nc(CC[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cs1 ZINC000119075738 221237508 /nfs/dbraw/zinc/23/75/08/221237508.db2.gz SCWJKNXQVQQECI-OAHLLOKOSA-N 1 0 345.516 3.192 40 0 EGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C[NH3+])[C@H]2c2cccc(Cl)c2)cc1 ZINC000242554673 257683808 /nfs/dbraw/zinc/68/38/08/257683808.db2.gz MSSKORCPQJSSRX-BRWVUGGUSA-N 1 0 335.856 3.163 40 0 EGABRO O[C@@]1(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CCSC1 ZINC000089704425 285345346 /nfs/dbraw/zinc/34/53/46/285345346.db2.gz CSYUPDLWSIWQFL-TZMCWYRMSA-N 1 0 346.265 3.033 40 0 EGABRO Cc1cc(NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc[nH+]1 ZINC000274380373 267227412 /nfs/dbraw/zinc/22/74/12/267227412.db2.gz SIADZNPATTUPAB-IYBDPMFKSA-N 1 0 339.439 3.252 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)[C@H]1C=CCCC1 ZINC000001711000 276099584 /nfs/dbraw/zinc/09/95/84/276099584.db2.gz HECLTPBVEVCPQT-ICSRJNTNSA-N 1 0 331.456 3.116 40 0 EGABRO CCN1Cc2ccccc2CC2(CC[NH+](CC3CCC3)CC2)C1=O ZINC000096243395 276254094 /nfs/dbraw/zinc/25/40/94/276254094.db2.gz QWIXZHWTRPWKCY-UHFFFAOYSA-N 1 0 326.484 3.474 40 0 EGABRO C[NH+](C)[C@H](CNC(=O)N1CCc2ccc(F)cc21)c1ccccc1 ZINC000060216937 276856259 /nfs/dbraw/zinc/85/62/59/276856259.db2.gz WLRIMZAPDIPRHJ-GOSISDBHSA-N 1 0 327.403 3.201 40 0 EGABRO C[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1N(C)C ZINC000096477959 278254460 /nfs/dbraw/zinc/25/44/60/278254460.db2.gz LKZOPQAXVQNFDE-HOTGVXAUSA-N 1 0 349.494 3.043 40 0 EGABRO CC[NH+](CC)CCCNc1ncnc2onc(-c3ccccc3)c21 ZINC000001558990 452668151 /nfs/dbraw/zinc/66/81/51/452668151.db2.gz DQGSUAWNIWECPS-UHFFFAOYSA-N 1 0 325.416 3.429 40 0 EGABRO CCOc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000006387538 452941460 /nfs/dbraw/zinc/94/14/60/452941460.db2.gz XHZGGYKMVZJDJS-UHFFFAOYSA-N 1 0 339.439 3.089 40 0 EGABRO CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCO2)cc1OC ZINC000008253351 453181935 /nfs/dbraw/zinc/18/19/35/453181935.db2.gz DRBGGIZPKMKANQ-LBPRGKRZSA-N 1 0 344.249 3.125 40 0 EGABRO CC1CC[NH+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)CC1 ZINC000012240082 453352203 /nfs/dbraw/zinc/35/22/03/453352203.db2.gz DILPZUJYXJCNBA-HXUWFJFHSA-N 1 0 342.483 3.141 40 0 EGABRO O=C(NCC[NH+]1CCCCC1)Nc1c[nH]c2cc(Cl)ccc2c1=O ZINC000013565973 453470438 /nfs/dbraw/zinc/47/04/38/453470438.db2.gz OUXVRBKNSVEPJH-UHFFFAOYSA-N 1 0 348.834 3.201 40 0 EGABRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000013613745 453473892 /nfs/dbraw/zinc/47/38/92/453473892.db2.gz ZAGLGYMITDJZFO-CYBMUJFWSA-N 1 0 326.893 3.423 40 0 EGABRO COc1ccc2cc(C[NH2+]CCc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000013998492 453496173 /nfs/dbraw/zinc/49/61/73/453496173.db2.gz JXDSLNCDJPVFPB-UHFFFAOYSA-N 1 0 326.371 3.008 40 0 EGABRO CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCCCC2)no1 ZINC000015673381 453582060 /nfs/dbraw/zinc/58/20/60/453582060.db2.gz WWQPIFQZIAUQGU-IRXDYDNUSA-N 1 0 347.503 3.188 40 0 biogenic,in-vitro EGABRO Clc1ccc(C2(C[NH+]3CCN(C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000019332785 453656346 /nfs/dbraw/zinc/65/63/46/453656346.db2.gz QAUAUMFDHINSIC-GOSISDBHSA-N 1 0 334.891 3.168 40 0 EGABRO CC[NH2+][C@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000019703939 453658537 /nfs/dbraw/zinc/65/85/37/453658537.db2.gz YXKHCIXKYPVWFP-GOSISDBHSA-N 1 0 343.471 3.172 40 0 EGABRO O=C(CSC1=[NH+]CCN1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000026441709 453799896 /nfs/dbraw/zinc/79/98/96/453799896.db2.gz HANYTILGOFYNSW-UHFFFAOYSA-N 1 0 338.647 3.278 40 0 EGABRO Cc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000026842977 453806512 /nfs/dbraw/zinc/80/65/12/453806512.db2.gz YNGAMAQBKJNFQY-UHFFFAOYSA-N 1 0 344.480 3.069 40 0 EGABRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(Br)s1 ZINC000030908835 453841482 /nfs/dbraw/zinc/84/14/82/453841482.db2.gz AOMHDOKLJKELDQ-LLVKDONJSA-N 1 0 326.263 3.411 40 0 EGABRO C[NH+](C)CCCNC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000032609593 453879723 /nfs/dbraw/zinc/87/97/23/453879723.db2.gz ACTKZDWJVDWXGL-UHFFFAOYSA-N 1 0 342.439 3.029 40 0 EGABRO O=C(NCc1ccncc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039768256 453945434 /nfs/dbraw/zinc/94/54/34/453945434.db2.gz ZSLKUGADIFXJTG-UHFFFAOYSA-N 1 0 343.858 3.263 40 0 EGABRO CCC[NH+]1CCN(c2ccccc2CNCc2c(C)noc2C)CC1 ZINC000088693246 454116347 /nfs/dbraw/zinc/11/63/47/454116347.db2.gz PAJIGPPPUZJDGX-UHFFFAOYSA-N 1 0 342.487 3.113 40 0 EGABRO CC(C)[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccc(Cl)cc1 ZINC000057563046 454136137 /nfs/dbraw/zinc/13/61/37/454136137.db2.gz DALWWOACDTYXQY-OAHLLOKOSA-N 1 0 339.867 3.251 40 0 EGABRO Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc[nH+]cc2)c(C)o1 ZINC000071195717 454201999 /nfs/dbraw/zinc/20/19/99/454201999.db2.gz LCPRZLKPRMUNLA-QGZVFWFLSA-N 1 0 336.395 3.285 40 0 EGABRO C[NH+]1CCC(NC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CC1 ZINC000071923092 454258948 /nfs/dbraw/zinc/25/89/48/454258948.db2.gz PNAQRMCNUPYXOT-UHFFFAOYSA-N 1 0 330.432 3.341 40 0 EGABRO O=C(Nc1cccc(Cl)c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000059916513 454264944 /nfs/dbraw/zinc/26/49/44/454264944.db2.gz NFZQCLIMWGFHPD-UHFFFAOYSA-N 1 0 337.851 3.105 40 0 EGABRO c1cc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cs1 ZINC000096042457 454268474 /nfs/dbraw/zinc/26/84/74/454268474.db2.gz BNDNBURRRQIEHB-KURKYZTESA-N 1 0 330.453 3.092 40 0 EGABRO Cn1cc(CN2CCC[C@]3(CC[N@H+](Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046987 454270310 /nfs/dbraw/zinc/27/03/10/454270310.db2.gz YPVCDFBODJECLZ-FQEVSTJZSA-N 1 0 342.462 3.047 40 0 EGABRO Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4cccs4)CC[N@@H+]3C2)c1 ZINC000096055133 454274683 /nfs/dbraw/zinc/27/46/83/454274683.db2.gz DMCBCGNLDSUMOU-WBVHZDCISA-N 1 0 332.444 3.225 40 0 EGABRO Cc1cc([C@H](O)c2ccccc2)cnc1N1CC[NH+](C(C)C)CC1 ZINC000072222667 454275002 /nfs/dbraw/zinc/27/50/02/454275002.db2.gz ITJPNAHIBLNIIA-LJQANCHMSA-N 1 0 325.456 3.002 40 0 EGABRO C[C@H]1C[N@H+](Cc2ccsc2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061280 454276917 /nfs/dbraw/zinc/27/69/17/454276917.db2.gz UZJFZDCVTDGBPT-POZUXBRTSA-N 1 0 348.512 3.034 40 0 EGABRO Cc1ccc(N2CCC3(CC2)CC[NH+](Cc2cccn2C)CC3)nn1 ZINC000096063016 454277896 /nfs/dbraw/zinc/27/78/96/454277896.db2.gz HXCLEUBTWPHVGO-UHFFFAOYSA-N 1 0 339.487 3.006 40 0 EGABRO c1coc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000096064797 454278219 /nfs/dbraw/zinc/27/82/19/454278219.db2.gz FLOUVMNXFCNXPP-QYZOEREBSA-N 1 0 328.412 3.013 40 0 EGABRO O=C(c1ccc[nH]1)N1CCC2(CC1)C[N@H+](CC1CC1)Cc1ccccc12 ZINC000096079555 454280247 /nfs/dbraw/zinc/28/02/47/454280247.db2.gz ULCZEKUXURMJBJ-UHFFFAOYSA-N 1 0 349.478 3.414 40 0 EGABRO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1ccccc1F)CC2 ZINC000096078393 454280309 /nfs/dbraw/zinc/28/03/09/454280309.db2.gz OKYASZRXDAMKLS-INIZCTEOSA-N 1 0 348.462 3.177 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)o1 ZINC000096107030 454284716 /nfs/dbraw/zinc/28/47/16/454284716.db2.gz VIFVOMJRTQQNCR-INIZCTEOSA-N 1 0 346.402 3.325 40 0 EGABRO c1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(COCc3ccncc3)C2)cc1 ZINC000096110406 454286204 /nfs/dbraw/zinc/28/62/04/454286204.db2.gz FHKOPFGNJRYWGH-RTWAWAEBSA-N 1 0 338.451 3.279 40 0 EGABRO C[C@H](CNC(=O)c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000060555353 454301609 /nfs/dbraw/zinc/30/16/09/454301609.db2.gz LLAZDTFCIPMRPW-QWHCGFSZSA-N 1 0 339.277 3.299 40 0 EGABRO Cc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)c1 ZINC000096208707 454305464 /nfs/dbraw/zinc/30/54/64/454305464.db2.gz UVVMTLVBMLMBHX-TZIWHRDSSA-N 1 0 342.483 3.049 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccccn2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096239564 454310723 /nfs/dbraw/zinc/31/07/23/454310723.db2.gz PHXAJJIIGUWXIB-GOSISDBHSA-N 1 0 344.409 3.214 40 0 EGABRO Cc1ccc(CN2CCO[C@H]3C[N@H+](Cc4ccc(C)s4)C[C@H]32)o1 ZINC000096248789 454311945 /nfs/dbraw/zinc/31/19/45/454311945.db2.gz JTLMNCYGUYEBNN-MSOLQXFVSA-N 1 0 332.469 3.043 40 0 EGABRO COc1ccc(NC(=O)[C@@H]2CC3(CC[NH2+]CC3)c3ccccc32)cc1 ZINC000096241650 454311952 /nfs/dbraw/zinc/31/19/52/454311952.db2.gz PQQOBTGRXGONEM-GOSISDBHSA-N 1 0 336.435 3.442 40 0 EGABRO CCc1cc(CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)on1 ZINC000096421485 454336708 /nfs/dbraw/zinc/33/67/08/454336708.db2.gz AXQBMOJKZFFHJR-UHFFFAOYSA-N 1 0 348.491 3.081 40 0 EGABRO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000096439814 454349320 /nfs/dbraw/zinc/34/93/20/454349320.db2.gz FWFJNYWYBOIYFF-MMNRESRNSA-N 1 0 343.471 3.051 40 0 EGABRO CSc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000096461205 454359691 /nfs/dbraw/zinc/35/96/91/454359691.db2.gz ZAJALAGMSRMVLZ-KEYYUXOJSA-N 1 0 335.517 3.451 40 0 EGABRO CC(C)[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)Nc1ccccc1 ZINC000096477257 454362644 /nfs/dbraw/zinc/36/26/44/454362644.db2.gz VOYONSRGMGHULW-QGZVFWFLSA-N 1 0 325.447 3.442 40 0 EGABRO CS[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485943 454367190 /nfs/dbraw/zinc/36/71/90/454367190.db2.gz RFDGLBVFWXPHQO-ITDIGPHOSA-N 1 0 344.883 3.340 40 0 EGABRO O=C(c1cc(F)ccc1F)C1CC[NH+](CCCn2ccnc2)CC1 ZINC000096493045 454370102 /nfs/dbraw/zinc/37/01/02/454370102.db2.gz ZIFIYARAYGLWHB-UHFFFAOYSA-N 1 0 333.382 3.146 40 0 EGABRO C[C@H]([NH2+][C@@H]1CCC[C@H](N2C(=O)c3ccccc3C2=O)C1)c1ccncc1 ZINC000132891266 454374805 /nfs/dbraw/zinc/37/48/05/454374805.db2.gz SUBXMRPIHFNJMC-UAGQMJEPSA-N 1 0 349.434 3.340 40 0 EGABRO COCc1ccc([C@@H]2CCCN2C(=O)Nc2cc(N(C)C)cc[nH+]2)o1 ZINC000097094933 454405617 /nfs/dbraw/zinc/40/56/17/454405617.db2.gz AAXNVGGFENFJOX-HNNXBMFYSA-N 1 0 344.415 3.256 40 0 EGABRO COc1ccc(CN2CCC([NH2+][C@@H](C)c3c[nH]nc3C)CC2)cc1F ZINC000097233890 454428834 /nfs/dbraw/zinc/42/88/34/454428834.db2.gz BVGWHBBIOHXZOC-ZDUSSCGKSA-N 1 0 346.450 3.181 40 0 EGABRO C[C@H](CC(=O)N1CC[NH+](CC2(C)CCOCC2)CC1)c1ccccc1 ZINC000097375202 454434645 /nfs/dbraw/zinc/43/46/45/454434645.db2.gz YKIAILRAXAGSCI-GOSISDBHSA-N 1 0 344.499 3.141 40 0 EGABRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(O)c(Cl)c2)[C@H](C)C1 ZINC000097374634 454434906 /nfs/dbraw/zinc/43/49/06/454434906.db2.gz JPTJRAAMKSHGKH-CZUORRHYSA-N 1 0 338.879 3.167 40 0 EGABRO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)[C@H](C)C1 ZINC000073949319 454506216 /nfs/dbraw/zinc/50/62/16/454506216.db2.gz CPKYYEDSOCVBCR-RKVPGOIHSA-N 1 0 348.462 3.223 40 0 EGABRO O=C(c1ccccc1Cl)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000092931189 454656694 /nfs/dbraw/zinc/65/66/94/454656694.db2.gz VSZKQPPVPTZDKK-UHFFFAOYSA-N 1 0 338.904 3.384 40 0 EGABRO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000093454930 454716207 /nfs/dbraw/zinc/71/62/07/454716207.db2.gz ZCKPRJCROFMENQ-OAHLLOKOSA-N 1 0 348.516 3.120 40 0 EGABRO c1coc(CN2CCO[C@@]3(CCC[C@@H]3COCc3nccs3)C2)c1 ZINC000107194551 454745861 /nfs/dbraw/zinc/74/58/61/454745861.db2.gz APBJLCUXYFBBDZ-QAPCUYQASA-N 1 0 348.468 3.324 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4cccnc4)CO3)C2)n1 ZINC000107228378 454747469 /nfs/dbraw/zinc/74/74/69/454747469.db2.gz IPUZESSZBBOFLB-WOJBJXKFSA-N 1 0 338.455 3.021 40 0 EGABRO Cc1csc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)n1 ZINC000107712063 454770151 /nfs/dbraw/zinc/77/01/51/454770151.db2.gz IVNQIJBEZJPDBE-WMZOPIPTSA-N 1 0 336.501 3.249 40 0 EGABRO CN(C)C(=O)NC1CC2(C1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC000108535239 454802318 /nfs/dbraw/zinc/80/23/18/454802318.db2.gz GVQFHABGJJIMFJ-UHFFFAOYSA-N 1 0 335.879 3.356 40 0 EGABRO CCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000110595270 454848938 /nfs/dbraw/zinc/84/89/38/454848938.db2.gz FBPLIBPHGBXQDU-HZPDHXFCSA-N 1 0 338.517 3.076 40 0 EGABRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cc(F)ccc2N2CCCCC2)C1 ZINC000127016146 454932793 /nfs/dbraw/zinc/93/27/93/454932793.db2.gz UANPPQJSCQFCLV-OAHLLOKOSA-N 1 0 348.466 3.231 40 0 EGABRO C[C@@H](CC(=O)c1ccco1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000155353536 454990456 /nfs/dbraw/zinc/99/04/56/454990456.db2.gz TUJPXSYSSWZVQH-LSDHHAIUSA-N 1 0 332.444 3.012 40 0 EGABRO CCCc1cnc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000157272606 455179260 /nfs/dbraw/zinc/17/92/60/455179260.db2.gz VSIFKQRLAOPIGU-AWEZNQCLSA-N 1 0 336.505 3.435 40 0 EGABRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cn2)CCO1 ZINC000237539696 455193268 /nfs/dbraw/zinc/19/32/68/455193268.db2.gz BDBXTBJECXZAIV-HNNXBMFYSA-N 1 0 336.439 3.078 40 0 EGABRO CCO[C@H](C)c1nc(CN(C)c2cc(N3CCCC3)ncn2)cs1 ZINC000192322196 455591337 /nfs/dbraw/zinc/59/13/37/455591337.db2.gz IADKEUXUOBSAPV-CYBMUJFWSA-N 1 0 347.488 3.267 40 0 EGABRO Fc1ccccc1CN1CC2(C1)OCC[C@H]2COCc1ccncc1 ZINC000247506041 455613870 /nfs/dbraw/zinc/61/38/70/455613870.db2.gz GWNPLCQHZOKGOW-SFHVURJKSA-N 1 0 342.414 3.028 40 0 EGABRO Fc1ccccc1CN1CC2(C1)OCC[C@@H]2COCc1ccncc1 ZINC000247506029 455614790 /nfs/dbraw/zinc/61/47/90/455614790.db2.gz GWNPLCQHZOKGOW-GOSISDBHSA-N 1 0 342.414 3.028 40 0 EGABRO C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1nccs1 ZINC000248756387 455729839 /nfs/dbraw/zinc/72/98/39/455729839.db2.gz GFABNTBMLOOSDT-IJEWVQPXSA-N 1 0 344.484 3.024 40 0 EGABRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000252491762 455813642 /nfs/dbraw/zinc/81/36/42/455813642.db2.gz LSLYAQSNZAROCF-ZDUSSCGKSA-N 1 0 328.460 3.157 40 0 EGABRO C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H](C)N1CC[C@H]1CCCCO1 ZINC000252516568 455818959 /nfs/dbraw/zinc/81/89/59/455818959.db2.gz UIMCRFFZMZMAPL-ZGXWSNOMSA-N 1 0 338.536 3.299 40 0 EGABRO CSc1cccc(F)c1C(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000253395338 455837955 /nfs/dbraw/zinc/83/79/55/455837955.db2.gz TUUCLZSXJBYQHM-GXTWGEPZSA-N 1 0 333.432 3.467 40 0 EGABRO c1nc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)oc1C1CC1 ZINC000253416138 455840998 /nfs/dbraw/zinc/84/09/98/455840998.db2.gz XFZYBIMIRBEERV-OAHLLOKOSA-N 1 0 341.459 3.250 40 0 EGABRO CC(C)C(=O)Nc1ccc(NC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000253429154 455846848 /nfs/dbraw/zinc/84/68/48/455846848.db2.gz GRLVLUBTWVFGPP-UHFFFAOYSA-N 1 0 346.475 3.231 40 0 EGABRO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000257279040 455881143 /nfs/dbraw/zinc/88/11/43/455881143.db2.gz OETICCMDQMMBQI-INIZCTEOSA-N 1 0 328.416 3.064 40 0 EGABRO Nc1nccnc1C[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000257299061 455886757 /nfs/dbraw/zinc/88/67/57/455886757.db2.gz ROOYPVXHZFVUCR-HNNXBMFYSA-N 1 0 333.439 3.062 40 0 EGABRO Cc1csc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)c1 ZINC000257327772 455892860 /nfs/dbraw/zinc/89/28/60/455892860.db2.gz XCQFAKNMZOJHGH-INIZCTEOSA-N 1 0 345.468 3.040 40 0 EGABRO COc1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)ccc1O ZINC000194972958 455908826 /nfs/dbraw/zinc/90/88/26/455908826.db2.gz KKOWOPQMPFFYLO-UHFFFAOYSA-N 1 0 325.408 3.496 40 0 EGABRO COCCC1(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)CCCCC1 ZINC000187476536 455915379 /nfs/dbraw/zinc/91/53/79/455915379.db2.gz SYVKWEDGZQGWQE-FGTMMUONSA-N 1 0 325.493 3.242 40 0 EGABRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195201089 455932170 /nfs/dbraw/zinc/93/21/70/455932170.db2.gz YHYRPFNDRBNAGN-FZKQIMNGSA-N 1 0 336.480 3.026 40 0 EGABRO Cc1ccc(Oc2ccccc2NC(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000195531120 455981308 /nfs/dbraw/zinc/98/13/08/455981308.db2.gz CYJQOQPVEUAFDV-MRXNPFEDSA-N 1 0 326.396 3.104 40 0 EGABRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000221348522 456042607 /nfs/dbraw/zinc/04/26/07/456042607.db2.gz PAXSWWDWSTWKIY-MJVIPROJSA-N 1 0 344.425 3.338 40 0 EGABRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000221348415 456042667 /nfs/dbraw/zinc/04/26/67/456042667.db2.gz PAXSWWDWSTWKIY-COPLHBTASA-N 1 0 344.425 3.338 40 0 EGABRO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCCC1 ZINC000225115528 456073004 /nfs/dbraw/zinc/07/30/04/456073004.db2.gz HBXZMSUELSYYNN-HXUWFJFHSA-N 1 0 344.499 3.325 40 0 EGABRO CC(=O)N[C@H]1CCCC[C@@]12C[N@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CCO2 ZINC000306132259 456566682 /nfs/dbraw/zinc/56/66/82/456566682.db2.gz LDAAOGODECCYJB-VNYTWHDVSA-N 1 0 346.515 3.129 40 0 EGABRO O=C(Nc1nc(C(F)(F)F)c[nH]1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000283451883 456784280 /nfs/dbraw/zinc/78/42/80/456784280.db2.gz ZMWCXJAKDPYOEB-UHFFFAOYSA-N 1 0 338.333 3.277 40 0 EGABRO c1cc2n(c1)C[C@@H](CCOCC1CC1)C[N@@H+](CC1CCOCC1)C2 ZINC000585095533 459823082 /nfs/dbraw/zinc/82/30/82/459823082.db2.gz VPBZPYMYLNERPP-IBGZPJMESA-N 1 0 332.488 3.163 40 0 EGABRO c1csc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)c1 ZINC000585104467 459824318 /nfs/dbraw/zinc/82/43/18/459824318.db2.gz IVUMHCQLDQOUCR-OAHLLOKOSA-N 1 0 332.494 3.420 40 0 EGABRO CC[C@H](C)[N@@H+]1CCOC[C@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585103637 459824511 /nfs/dbraw/zinc/82/45/11/459824511.db2.gz DZDZEJYYNNLVES-ABSDTBQOSA-N 1 0 330.472 3.097 40 0 EGABRO Cc1cccc(OC[C@@]2(O)C[N@@H+](C3CCC(C)(C)CC3)CC[C@@H]2O)c1 ZINC000585283684 459831995 /nfs/dbraw/zinc/83/19/95/459831995.db2.gz SZNVBVDCQYDISO-FPOVZHCZSA-N 1 0 347.499 3.140 40 0 EGABRO Cc1ccc(N2CC[NH+](C[C@H](O)Cn3ccc4ccccc43)CC2)cc1 ZINC000026893800 1291281786 /nfs/dbraw/zinc/28/17/86/1291281786.db2.gz FKQLBWQVGBDGAT-NRFANRHFSA-N 1 0 349.478 3.133 40 0 EGABRO CNc1ccc(C)cc1C[NH2+][C@@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000902207948 1317544607 /nfs/dbraw/zinc/54/46/07/1317544607.db2.gz CPTVUIKCXJJPRA-GOSISDBHSA-N 1 0 339.487 3.202 40 0 EGABRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCCC(F)(F)CC1 ZINC000952852330 1334581570 /nfs/dbraw/zinc/58/15/70/1334581570.db2.gz WRXXUQBNHOQGMB-OAHLLOKOSA-N 1 0 325.403 3.080 40 0 EGABRO COC(=O)c1ccc(C[NH+]2CCC(c3nnc(C4CC4)o3)CC2)cc1 ZINC000049377489 214003514 /nfs/dbraw/zinc/00/35/14/214003514.db2.gz HOZGIHREYUAHLU-UHFFFAOYSA-N 1 0 341.411 3.113 40 0 EGABRO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)N1CCCCCC1 ZINC000004315034 210166983 /nfs/dbraw/zinc/16/69/83/210166983.db2.gz YROZWDBLGILBGD-UHFFFAOYSA-N 1 0 340.471 3.145 40 0 EGABRO CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000004230594 210148142 /nfs/dbraw/zinc/14/81/42/210148142.db2.gz ZOWORPQERQAKSG-QGZVFWFLSA-N 1 0 331.439 3.290 40 0 EGABRO C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1Cl ZINC000068045960 215271443 /nfs/dbraw/zinc/27/14/43/215271443.db2.gz WEGQYKZIDMHISK-QGZVFWFLSA-N 1 0 337.822 3.489 40 0 EGABRO OC[C@H]1C=C[C@@H]([NH2+][C@H]2CCCOc3c(Br)cccc32)C1 ZINC000183576373 235146431 /nfs/dbraw/zinc/14/64/31/235146431.db2.gz QVGKHHIYRRJUKJ-ZOWXZIJZSA-N 1 0 338.245 3.189 40 0 EGABRO COC[C@H]([NH2+]Cc1ccc(Br)s1)C1CCOCC1 ZINC000187849012 236316431 /nfs/dbraw/zinc/31/64/31/236316431.db2.gz IBXDFAWKAZJSQY-LBPRGKRZSA-N 1 0 334.279 3.042 40 0 EGABRO O=S(=O)(c1ccccc1)N1C[C@@H]2CCCC[N@H+](C3CCCC3)[C@@H]2C1 ZINC000072330676 216155017 /nfs/dbraw/zinc/15/50/17/216155017.db2.gz RPQXLAUOVBPTNV-QFBILLFUSA-N 1 0 348.512 3.104 40 0 EGABRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072349508 216160422 /nfs/dbraw/zinc/16/04/22/216160422.db2.gz CENJUGQCHHZRGX-OAHLLOKOSA-N 1 0 341.430 3.155 40 0 EGABRO O=C(C1CCC1)N1CC[N@@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355148 216163938 /nfs/dbraw/zinc/16/39/38/216163938.db2.gz DHSQUWOJKQTKEZ-KRWDZBQOSA-N 1 0 341.499 3.127 40 0 EGABRO Cc1nc2sccn2c1C[N@@H+]1CC[C@H](c2nc(C)cc(C)n2)C1 ZINC000072369804 216176998 /nfs/dbraw/zinc/17/69/98/216176998.db2.gz XLHVLVLWXPUORX-AWEZNQCLSA-N 1 0 327.457 3.101 40 0 EGABRO COc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000072389917 216189098 /nfs/dbraw/zinc/18/90/98/216189098.db2.gz KPBUCCPPRRGKAB-INIZCTEOSA-N 1 0 336.395 3.130 40 0 EGABRO Fc1ccc(-c2cc(C[NH+]3CCCCCC3)c3nnnn3c2)cc1 ZINC000072392335 216191248 /nfs/dbraw/zinc/19/12/48/216191248.db2.gz LJWQPHHCARDMBA-UHFFFAOYSA-N 1 0 325.391 3.306 40 0 EGABRO CCc1ocnc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000073112838 216350250 /nfs/dbraw/zinc/35/02/50/216350250.db2.gz KZRKTFOKSFNIMA-UHFFFAOYSA-N 1 0 326.400 3.006 40 0 EGABRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cncnc2)cc1)C(=O)NC(C)(C)C ZINC000073411629 216384004 /nfs/dbraw/zinc/38/40/04/216384004.db2.gz QSXVXFSKBQSHQW-KBPBESRZSA-N 1 0 326.444 3.097 40 0 EGABRO Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C[NH3+])[C@@H]2c2cccc(Cl)c2)cc1 ZINC000218575722 241333494 /nfs/dbraw/zinc/33/34/94/241333494.db2.gz MSSKORCPQJSSRX-ULQDDVLXSA-N 1 0 335.856 3.163 40 0 EGABRO CC1CC[NH+](CCCNC(=O)Cc2ccc(Cl)cc2F)CC1 ZINC000225069271 241793274 /nfs/dbraw/zinc/79/32/74/241793274.db2.gz FGGTVJRYANMKTL-UHFFFAOYSA-N 1 0 326.843 3.260 40 0 EGABRO CC(C)SCC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000225771113 242029247 /nfs/dbraw/zinc/02/92/47/242029247.db2.gz ZTUUCNWRBVZNHZ-UHFFFAOYSA-N 1 0 338.492 3.296 40 0 EGABRO O=C(NCC1CC[NH+](C2CCSCC2)CC1)c1ccccc1F ZINC000252522909 243845870 /nfs/dbraw/zinc/84/58/70/243845870.db2.gz BJORHSKCEYABFB-UHFFFAOYSA-N 1 0 336.476 3.163 40 0 EGABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2CCc2ccc(F)cc2)n1 ZINC000257207560 244138648 /nfs/dbraw/zinc/13/86/48/244138648.db2.gz BIHOLZBFQMCQFZ-HXUWFJFHSA-N 1 0 341.430 3.236 40 0 EGABRO O=C(N[C@@H]1COCCC12CC[NH+](C1CCCC1)CC2)c1ccccc1 ZINC000096217579 284126657 /nfs/dbraw/zinc/12/66/57/284126657.db2.gz GSEVOMVNTOAYPM-LJQANCHMSA-N 1 0 342.483 3.230 40 0 EGABRO Cc1c(C[NH+]2CCC(Oc3cnccn3)CC2)c2ccccc2n1C ZINC000019659057 212054089 /nfs/dbraw/zinc/05/40/89/212054089.db2.gz ARRUYGUTRZMCNC-UHFFFAOYSA-N 1 0 336.439 3.320 40 0 EGABRO CN1CC[N@H+](CC2CC2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589537 212049108 /nfs/dbraw/zinc/04/91/08/212049108.db2.gz ARBBWOWPBUEPTF-OAQYLSRUSA-N 1 0 349.478 3.091 40 0 EGABRO C[C@@H]([NH2+]Cc1cc(-c2ccc(F)cc2)cn2nnnc12)c1ccncc1 ZINC000019459804 212029280 /nfs/dbraw/zinc/02/92/80/212029280.db2.gz OQHBYLKRLMTXJL-CYBMUJFWSA-N 1 0 348.385 3.176 40 0 EGABRO O[C@]1(c2ccccc2)CC[N@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC000019369780 212022618 /nfs/dbraw/zinc/02/26/18/212022618.db2.gz DASHMSDRRRFPRJ-OAQYLSRUSA-N 1 0 347.418 3.362 40 0 EGABRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CCOCC1 ZINC000095423360 296163812 /nfs/dbraw/zinc/16/38/12/296163812.db2.gz BMBOARDOHDAIOH-BMFZPTHFSA-N 1 0 326.481 3.085 40 0 EGABRO CC(=O)Nc1ccc(CC[NH2+]Cc2c(C)nc3sc(C)cn32)cc1 ZINC000078411719 217049667 /nfs/dbraw/zinc/04/96/67/217049667.db2.gz LPVJXQAEVFGCOR-UHFFFAOYSA-N 1 0 342.468 3.303 40 0 EGABRO O=C(NCCC[NH+]1CCCCCC1)C1(c2ccccc2)CCOCC1 ZINC000078770273 217117862 /nfs/dbraw/zinc/11/78/62/217117862.db2.gz CJXSDULBTLARAD-UHFFFAOYSA-N 1 0 344.499 3.117 40 0 EGABRO C[C@H](c1nc(C2CC2)no1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000266437476 248300250 /nfs/dbraw/zinc/30/02/50/248300250.db2.gz VMVUCMGSPQHEHB-CQSZACIVSA-N 1 0 349.438 3.378 40 0 EGABRO Cc1nc2cc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)ccc2o1 ZINC000378181098 169081896 /nfs/dbraw/zinc/08/18/96/169081896.db2.gz BXECBHQKGHQJND-OAHLLOKOSA-N 1 0 328.416 3.228 40 0 EGABRO CCN(CC)C(=O)C[NH+]1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1 ZINC000012481470 211391746 /nfs/dbraw/zinc/39/17/46/211391746.db2.gz BHVXERHCEQVUGA-UHFFFAOYSA-N 1 0 342.487 3.228 40 0 EGABRO COc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c1 ZINC000012135063 211301331 /nfs/dbraw/zinc/30/13/31/211301331.db2.gz IONLHEXFPFOAQY-HTZLVSCSSA-N 1 0 338.451 3.210 40 0 EGABRO COc1cccc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)c1 ZINC000012119077 211298398 /nfs/dbraw/zinc/29/83/98/211298398.db2.gz DSXOOJYJJMZINR-INIZCTEOSA-N 1 0 338.407 3.440 40 0 EGABRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000092101255 218119291 /nfs/dbraw/zinc/11/92/91/218119291.db2.gz UKUGDTPUYUGQFY-LBPRGKRZSA-N 1 0 332.341 3.145 40 0 EGABRO C[C@H]1CC[C@@H](CCC(=O)NC2CC[NH+](Cc3cccs3)CC2)O1 ZINC000095404736 218339958 /nfs/dbraw/zinc/33/99/58/218339958.db2.gz XIKDUUBKVCCANO-HOCLYGCPSA-N 1 0 336.501 3.176 40 0 EGABRO Cc1nc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cs1 ZINC000096215374 218688183 /nfs/dbraw/zinc/68/81/83/218688183.db2.gz CLJIUHRXPSPPCS-LJQANCHMSA-N 1 0 349.544 3.166 40 0 EGABRO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(-c3nnco3)c2)CC1 ZINC000096403575 218752204 /nfs/dbraw/zinc/75/22/04/218752204.db2.gz ZCOOXQXGKMYTSC-UHFFFAOYSA-N 1 0 343.431 3.075 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[C@@H](SCC)C2)CC1 ZINC000096465849 218845499 /nfs/dbraw/zinc/84/54/99/218845499.db2.gz NYLINVYPSNDBJB-JKSUJKDBSA-N 1 0 327.538 3.176 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[C@H](SCC)C2)CC1 ZINC000096465845 218845732 /nfs/dbraw/zinc/84/57/32/218845732.db2.gz NYLINVYPSNDBJB-HOTGVXAUSA-N 1 0 327.538 3.176 40 0 EGABRO CC(C)Oc1ccc([C@H](C)NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000097101585 218954083 /nfs/dbraw/zinc/95/40/83/218954083.db2.gz IWABPKHJVMIWBF-JKSUJKDBSA-N 1 0 333.476 3.128 40 0 EGABRO Clc1ccc2nc(C[NH2+]C3CCN(c4nccs4)CC3)cn2c1 ZINC000097237287 219003111 /nfs/dbraw/zinc/00/31/11/219003111.db2.gz SWMXUHCUPCVIHS-UHFFFAOYSA-N 1 0 347.875 3.203 40 0 EGABRO [NH3+][C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000242425519 257684286 /nfs/dbraw/zinc/68/42/86/257684286.db2.gz BMUIPYHQWSFTLI-RRFJBIMHSA-N 1 0 342.247 3.260 40 0 EGABRO C[C@@H]([NH2+]CCc1ccnn1C)c1ccc(Br)cc1F ZINC000129701956 533405672 /nfs/dbraw/zinc/40/56/72/533405672.db2.gz NEDBBEPNUKZQMC-SNVBAGLBSA-N 1 0 326.213 3.215 40 0 EGABRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000040161243 132399245 /nfs/dbraw/zinc/39/92/45/132399245.db2.gz RWIXOFLYDZVQRN-TXPKVOOTSA-N 1 0 345.487 3.019 40 0 EGABRO C[NH+](C)CC(=O)N1CCC2(CCc3ccc(-c4ccncc4)cc32)CC1 ZINC000096241718 273793226 /nfs/dbraw/zinc/79/32/26/273793226.db2.gz GULMCQROLLSXMG-UHFFFAOYSA-N 1 0 349.478 3.117 40 0 EGABRO Cc1cc(C[NH2+]C2CCC(O)CC2)c(C)n1-c1ccnn1C(C)C ZINC000008395466 280490530 /nfs/dbraw/zinc/49/05/30/280490530.db2.gz KIRHHGUDHVZHJC-UHFFFAOYSA-N 1 0 330.476 3.265 40 0 EGABRO O=C(c1ccccc1C(F)(F)F)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257285210 304564537 /nfs/dbraw/zinc/56/45/37/304564537.db2.gz PGCNVKRSWWTJAZ-SWLSCSKDSA-N 1 0 326.362 3.310 40 0 EGABRO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCCCCC1 ZINC000008211703 298121484 /nfs/dbraw/zinc/12/14/84/298121484.db2.gz IPUOPLNUYGLFOH-ZIUDEIKKSA-N 1 0 347.503 3.046 40 0 EGABRO Cc1ccc(NC(=O)N2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000097103380 323215217 /nfs/dbraw/zinc/21/52/17/323215217.db2.gz KOTQIYIFKXFHQS-UHFFFAOYSA-N 1 0 344.503 3.021 40 0 EGABRO CCN1CC[C@@H]([NH2+]Cc2ccn(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000241515645 455268527 /nfs/dbraw/zinc/26/85/27/455268527.db2.gz OGSFPYBSIPRHBB-SJORKVTESA-N 1 0 336.842 3.138 40 0 EGABRO COc1ccc([N+]2=Cc3cc(OC)c(OC)cc3CC2)cc1OC ZINC000001766017 452676816 /nfs/dbraw/zinc/67/68/16/452676816.db2.gz VJTGCEPKMPHWDQ-UHFFFAOYSA-N 1 0 328.388 3.040 40 0 EGABRO C[C@@H]1[C@@H]2CC[C@]3(CC[C@H]4[C@]5(CCC[C@]4(C)C[N@@H+](CCO)C5)[C@@H]3C2)[C@@H]1O ZINC000005734936 452900411 /nfs/dbraw/zinc/90/04/11/452900411.db2.gz YGXRMWHUFMBLQJ-POGUXHMRSA-N 1 0 347.543 3.294 40 0 EGABRO CCC[N@@H+]1C[C@H](C[S@](C)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000005834084 452905122 /nfs/dbraw/zinc/90/51/22/452905122.db2.gz WOIHSNDTPKFAJW-DTICPPOHSA-N 1 0 330.497 3.287 40 0 in-vitro EGABRO COc1cc(CNCCC[NH+](C)C)ccc1OCCc1ccccc1 ZINC000007540133 453085251 /nfs/dbraw/zinc/08/52/51/453085251.db2.gz ITHRXQALSHHLFE-UHFFFAOYSA-N 1 0 342.483 3.358 40 0 EGABRO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Br)c1OCC ZINC000008327008 453192290 /nfs/dbraw/zinc/19/22/90/453192290.db2.gz JWXRYPQDOSTVIU-GFCCVEGCSA-N 1 0 346.265 3.107 40 0 EGABRO Cc1ccc2nc(C[N@@H+]3CCC[C@H]3c3cccs3)cc(=O)n2c1 ZINC000008319991 453192109 /nfs/dbraw/zinc/19/21/09/453192109.db2.gz LGTKVLKBSNNWSV-HNNXBMFYSA-N 1 0 325.437 3.402 40 0 EGABRO O=C(CC[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)N1CCCC1 ZINC000009466478 453253697 /nfs/dbraw/zinc/25/36/97/453253697.db2.gz NXJJNEAVRBJLRW-UHFFFAOYSA-N 1 0 348.450 3.128 40 0 EGABRO CCC(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CCC[C@@H](C)C3)ccc21 ZINC000012291555 453354618 /nfs/dbraw/zinc/35/46/18/453354618.db2.gz RJWUXZLTVUFXQN-DNVCBOLYSA-N 1 0 330.472 3.141 40 0 EGABRO CC1CC[NH+]([C@H](CNc2ncnc3n[nH]cc32)c2cccs2)CC1 ZINC000012547871 453372892 /nfs/dbraw/zinc/37/28/92/453372892.db2.gz XJPDAJKUZSHDSG-CQSZACIVSA-N 1 0 342.472 3.300 40 0 EGABRO O[C@]1(c2ccccn2)CC[C@@H]2C[N@H+](Cc3cccc4ncccc34)C[C@@H]21 ZINC000013267815 453455050 /nfs/dbraw/zinc/45/50/50/453455050.db2.gz KHTJGFKNLWNJOB-ZWCUEREDSA-N 1 0 345.446 3.359 40 0 EGABRO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(CCCCc2ccccc2)c1 ZINC000017418881 453635069 /nfs/dbraw/zinc/63/50/69/453635069.db2.gz HIMYFSLMYAONKN-UHFFFAOYSA-N 1 0 349.482 3.438 40 0 EGABRO C[C@@H]1CN(c2nccc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)n2)C[C@@H](C)O1 ZINC000019497688 453656112 /nfs/dbraw/zinc/65/61/12/453656112.db2.gz JSRKLFWAMGIZPM-VXNCWWDNSA-N 1 0 344.503 3.245 40 0 EGABRO O=C1NC[C@@H](C2CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000019375015 453656280 /nfs/dbraw/zinc/65/62/80/453656280.db2.gz QAGYTTNMJHUXQF-SFHVURJKSA-N 1 0 326.465 3.487 40 0 EGABRO C[C@H](Oc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115297 453726049 /nfs/dbraw/zinc/72/60/49/453726049.db2.gz BHCFTMOSULXJHY-KRWDZBQOSA-N 1 0 338.451 3.366 40 0 EGABRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc[nH]c1=S)Cc1ccccc1 ZINC000029907879 453832525 /nfs/dbraw/zinc/83/25/25/453832525.db2.gz AGCGGLBCJKDMNW-MRXNPFEDSA-N 1 0 343.496 3.053 40 0 EGABRO CC[C@H](CNC(=O)c1cc(Br)ccc1F)[NH+]1CCCC1 ZINC000032660688 453882715 /nfs/dbraw/zinc/88/27/15/453882715.db2.gz LFOXPQSISXOWQB-GFCCVEGCSA-N 1 0 343.240 3.192 40 0 EGABRO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COCCOc1ccc(F)cc1 ZINC000041690330 453976482 /nfs/dbraw/zinc/97/64/82/453976482.db2.gz MQVAJSQODZLYCU-INIZCTEOSA-N 1 0 341.467 3.386 40 0 EGABRO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3OC)[C@@H](C)C2)c1 ZINC000057728975 454143495 /nfs/dbraw/zinc/14/34/95/454143495.db2.gz IJAJFBPVBAOCEH-KRWDZBQOSA-N 1 0 340.467 3.410 40 0 EGABRO C=Cn1ncc(C[N@H+]2CCCN(c3cccc(OC)c3)CC2)c1C ZINC000057811400 454147695 /nfs/dbraw/zinc/14/76/95/454147695.db2.gz RLVIEUPFTDVWDQ-UHFFFAOYSA-N 1 0 326.444 3.013 40 0 EGABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000045640291 454171234 /nfs/dbraw/zinc/17/12/34/454171234.db2.gz ZYWJAFNADGDCPM-QGZVFWFLSA-N 1 0 332.488 3.488 40 0 EGABRO O[C@@H](CNc1nc2ccccc2s1)C[N@@H+]1CCc2ccccc2C1 ZINC000046479054 454254940 /nfs/dbraw/zinc/25/49/40/454254940.db2.gz OANALHLMQZYHST-INIZCTEOSA-N 1 0 339.464 3.127 40 0 EGABRO Cc1ccccc1OCCC[N@@H+](C)C[C@H](O)COc1ccccc1C ZINC000059384298 454257751 /nfs/dbraw/zinc/25/77/51/454257751.db2.gz IPHIOKCINSCLRD-IBGZPJMESA-N 1 0 343.467 3.444 40 0 EGABRO C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000071953245 454261675 /nfs/dbraw/zinc/26/16/75/454261675.db2.gz LNZKIZPKVKUALH-MRXNPFEDSA-N 1 0 332.463 3.481 40 0 EGABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)co1 ZINC000096039977 454267086 /nfs/dbraw/zinc/26/70/86/454267086.db2.gz OAFDTTLQWVUFQE-RTBURBONSA-N 1 0 328.412 3.125 40 0 EGABRO Cc1ccsc1C[N@@H+]1CCO[C@@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041373 454267208 /nfs/dbraw/zinc/26/72/08/454267208.db2.gz QUAGYYYOCXMJKL-LNLFQRSKSA-N 1 0 344.480 3.400 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)o1 ZINC000096042494 454268639 /nfs/dbraw/zinc/26/86/39/454268639.db2.gz LPBPNPMRYWPLNT-KURKYZTESA-N 1 0 348.468 3.302 40 0 EGABRO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](c4ccnc(C)n4)O[C@@H]3C2)oc1C ZINC000096046371 454269387 /nfs/dbraw/zinc/26/93/87/454269387.db2.gz TVQDUODILVUSTM-ZYSHUDEJSA-N 1 0 327.428 3.347 40 0 EGABRO O=C(c1cccs1)N1CCC[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096047025 454269509 /nfs/dbraw/zinc/26/95/09/454269509.db2.gz IMBFMSYMRBRWNG-LJQANCHMSA-N 1 0 341.480 3.271 40 0 EGABRO Fc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096047156 454270051 /nfs/dbraw/zinc/27/00/51/454270051.db2.gz MHPWFKDJNDAYSL-IBGZPJMESA-N 1 0 326.419 3.108 40 0 EGABRO O=C1N(Cc2ccccn2)CCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096046897 454270166 /nfs/dbraw/zinc/27/01/66/454270166.db2.gz IECIRBKOACZVBB-UHFFFAOYSA-N 1 0 341.480 3.158 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)o1 ZINC000096049550 454272365 /nfs/dbraw/zinc/27/23/65/454272365.db2.gz SIVDRQLYCSDWJU-FQEVSTJZSA-N 1 0 341.455 3.102 40 0 EGABRO COc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096053873 454274583 /nfs/dbraw/zinc/27/45/83/454274583.db2.gz LIKPMNUTMQLPQJ-KDURUIRLSA-N 1 0 340.442 3.398 40 0 EGABRO Cc1ccc(CN2CCOC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)o1 ZINC000096062395 454278430 /nfs/dbraw/zinc/27/84/30/454278430.db2.gz FEMXWNQWDHYYPO-LJQANCHMSA-N 1 0 346.496 3.374 40 0 EGABRO O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](CCCc3ccccc3)[C@H]2C1 ZINC000096080589 454280351 /nfs/dbraw/zinc/28/03/51/454280351.db2.gz ODAWGHBAUACBMA-ICSRJNTNSA-N 1 0 335.451 3.467 40 0 EGABRO FC(F)(F)c1cccnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000078600610 454283864 /nfs/dbraw/zinc/28/38/64/454283864.db2.gz SKGODNKLVNUNIN-UHFFFAOYSA-N 1 0 335.373 3.465 40 0 EGABRO O=C1[C@@H]2C[C@@H](C[N@@H+]2C2CCC2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111853 454287055 /nfs/dbraw/zinc/28/70/55/454287055.db2.gz VQYWXMOQISYWQF-HKUYNNGSSA-N 1 0 349.434 3.003 40 0 biogenic,in-vitro EGABRO CC(C)n1c2cc(C(=O)NCC[NH+](C)C)n(C)c2c2ccccc21 ZINC000096146394 454292509 /nfs/dbraw/zinc/29/25/09/454292509.db2.gz UFVGXXKTSYFGTO-UHFFFAOYSA-N 1 0 326.444 3.005 40 0 EGABRO CN1C(=O)C[C@@H](c2ccncc2)C12CC[NH+](Cc1ccsc1)CC2 ZINC000096199978 454302778 /nfs/dbraw/zinc/30/27/78/454302778.db2.gz KAIAHKORFWXIJB-KRWDZBQOSA-N 1 0 341.480 3.124 40 0 EGABRO Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)n1 ZINC000096199595 454302882 /nfs/dbraw/zinc/30/28/82/454302882.db2.gz XXHBWGWDAGVTOD-IBGZPJMESA-N 1 0 335.451 3.028 40 0 EGABRO COc1ccc(C[NH+]2CC3(C2)CCN(Cc2csc(C)n2)C3)cc1 ZINC000096202545 454303092 /nfs/dbraw/zinc/30/30/92/454303092.db2.gz CPLCFHKYCIJJTL-UHFFFAOYSA-N 1 0 343.496 3.168 40 0 EGABRO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccccc1OC)CC2 ZINC000096205842 454303659 /nfs/dbraw/zinc/30/36/59/454303659.db2.gz YSGCWTWAQMGNBA-GOSISDBHSA-N 1 0 333.472 3.350 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CC4CC4)C3)C2)n1 ZINC000096216254 454306244 /nfs/dbraw/zinc/30/62/44/454306244.db2.gz KWDZFEVSJKNJRJ-HXUWFJFHSA-N 1 0 327.472 3.005 40 0 EGABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccco3)CC2)N1Cc1ccncc1 ZINC000096218079 454306668 /nfs/dbraw/zinc/30/66/68/454306668.db2.gz WPSDEPPOMHAQOL-HXUWFJFHSA-N 1 0 339.439 3.222 40 0 EGABRO CC(C)NC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096241269 454311171 /nfs/dbraw/zinc/31/11/71/454311171.db2.gz FEEGXCIVAJOQOH-DOTOQJQBSA-N 1 0 339.480 3.102 40 0 EGABRO Cc1nnc2ccc(NC3CC[NH+]([C@H](C)c4ccccc4)CC3)nn12 ZINC000096407650 454325665 /nfs/dbraw/zinc/32/56/65/454325665.db2.gz WYAHTPRFQSRLQL-CQSZACIVSA-N 1 0 336.443 3.070 40 0 EGABRO Cc1ccc(CC(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)cn1 ZINC000096408501 454326424 /nfs/dbraw/zinc/32/64/24/454326424.db2.gz ZMBVSBXQSKLKNT-UHFFFAOYSA-N 1 0 347.846 3.165 40 0 EGABRO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000096414433 454331158 /nfs/dbraw/zinc/33/11/58/454331158.db2.gz XUOJEJSVBJBSSH-UKRRQHHQSA-N 1 0 342.405 3.342 40 0 EGABRO COC(=O)CCc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000096421702 454336308 /nfs/dbraw/zinc/33/63/08/454336308.db2.gz OYGNTOYDMLPELH-UHFFFAOYSA-N 1 0 340.423 3.106 40 0 EGABRO CSc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000096435400 454346106 /nfs/dbraw/zinc/34/61/06/454346106.db2.gz WRJISHMSJNQJDR-LBPRGKRZSA-N 1 0 325.453 3.353 40 0 EGABRO Cc1ccc(CCNC(=O)c2oc3ccccc3c2C[NH+](C)C)cn1 ZINC000096436491 454347533 /nfs/dbraw/zinc/34/75/33/454347533.db2.gz DNXRRJZRPDAMMN-UHFFFAOYSA-N 1 0 337.423 3.170 40 0 EGABRO O=C(c1ccccc1Br)N1CC[C@H](Oc2ccncc2)C1 ZINC000120900681 454363144 /nfs/dbraw/zinc/36/31/44/454363144.db2.gz NSESQUIUPOKGRC-ZDUSSCGKSA-N 1 0 347.212 3.138 40 0 EGABRO CCn1ccnc1CNc1cc(C[NH+]2CCSCC2)ccc1C ZINC000096482824 454364877 /nfs/dbraw/zinc/36/48/77/454364877.db2.gz RUBWFDKYDLSCBW-UHFFFAOYSA-N 1 0 330.501 3.372 40 0 EGABRO NC(=O)N1CCC([NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000096493657 454369789 /nfs/dbraw/zinc/36/97/89/454369789.db2.gz XRFHOTCZNAXTND-UHFFFAOYSA-N 1 0 341.377 3.217 40 0 EGABRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000097228465 454426988 /nfs/dbraw/zinc/42/69/88/454426988.db2.gz YYENXIUWGHCNDJ-QRWLVFNGSA-N 1 0 345.437 3.403 40 0 EGABRO c1cn(-c2ccc(CNc3ccccc3C[NH+]3CCCC3)cn2)cn1 ZINC000097229065 454427046 /nfs/dbraw/zinc/42/70/46/454427046.db2.gz QPBPSVTXODIRFF-UHFFFAOYSA-N 1 0 333.439 3.475 40 0 EGABRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)on1 ZINC000065514742 454581654 /nfs/dbraw/zinc/58/16/54/454581654.db2.gz DHQQBDVVVQGSMT-GOSISDBHSA-N 1 0 347.418 3.346 40 0 EGABRO Cc1csc([C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C2CC2)n1 ZINC000074667081 454616538 /nfs/dbraw/zinc/61/65/38/454616538.db2.gz CBQHJYSJRUVNLC-JKSUJKDBSA-N 1 0 348.516 3.172 40 0 EGABRO Cc1cc(C)c(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)o1 ZINC000176477077 454750116 /nfs/dbraw/zinc/75/01/16/454750116.db2.gz BJHLXFCPOSZYMY-GOSISDBHSA-N 1 0 326.440 3.191 40 0 EGABRO Clc1ccccc1OC[C@H]1CCC[N@H+](CCC2OCCO2)C1 ZINC000125192710 454802719 /nfs/dbraw/zinc/80/27/19/454802719.db2.gz XHJBOIWXWHFCRT-AWEZNQCLSA-N 1 0 325.836 3.194 40 0 EGABRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(Br)cc1F ZINC000125573912 454833217 /nfs/dbraw/zinc/83/32/17/454833217.db2.gz IEVRQFVZJFWGRP-LLVKDONJSA-N 1 0 343.240 3.251 40 0 EGABRO CCO[C@@H](C)c1nc(CN(C)c2cc(N3CCCC3)ncn2)cs1 ZINC000192322191 455591045 /nfs/dbraw/zinc/59/10/45/455591045.db2.gz IADKEUXUOBSAPV-ZDUSSCGKSA-N 1 0 347.488 3.267 40 0 EGABRO CC(C)[N@@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]C[C@H](C)c3ccccc3)O2)C1 ZINC000248163860 455692480 /nfs/dbraw/zinc/69/24/80/455692480.db2.gz NBLPXLWSQCHNKV-CEWLAPEOSA-N 1 0 346.515 3.038 40 0 EGABRO c1cncc(-c2nnc3n2CCN(CCSC2CCCCC2)C3)c1 ZINC000252494711 455813494 /nfs/dbraw/zinc/81/34/94/455813494.db2.gz OCMGEUUEHPUJBC-UHFFFAOYSA-N 1 0 343.500 3.222 40 0 EGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C[NH3+])[C@H]2c2ccc(Cl)cc2)cc1 ZINC000252515805 455819616 /nfs/dbraw/zinc/81/96/16/455819616.db2.gz NTOUEURIXZHWAP-BRWVUGGUSA-N 1 0 335.856 3.163 40 0 EGABRO CSc1cccc(F)c1C(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000253395361 455838105 /nfs/dbraw/zinc/83/81/05/455838105.db2.gz TUUCLZSXJBYQHM-TZMCWYRMSA-N 1 0 333.432 3.467 40 0 EGABRO c1nn([C@H]2CC[N@@H+](CC3CCC4(CC3)OCCO4)C2)c2ccccc12 ZINC000253427743 455846759 /nfs/dbraw/zinc/84/67/59/455846759.db2.gz AMSUOSULIBVEOU-SFHVURJKSA-N 1 0 341.455 3.216 40 0 EGABRO C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2ccc3ncccc3c2)n1 ZINC000257285648 455882761 /nfs/dbraw/zinc/88/27/61/455882761.db2.gz PIDIJRWZENKFGH-HXUWFJFHSA-N 1 0 347.466 3.424 40 0 EGABRO CC(C)COC(=O)N1CCC([NH2+][C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000195551345 455984342 /nfs/dbraw/zinc/98/43/42/455984342.db2.gz QOZLONHNMKUSGV-RBUKOAKNSA-N 1 0 346.471 3.363 40 0 EGABRO CCOC(=O)[C@H](CN)[C@]1([NH+]2CCCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216352026 456029090 /nfs/dbraw/zinc/02/90/90/456029090.db2.gz YDFIKGOBEHXAQA-CPLUKWAASA-N 1 0 336.520 3.195 40 0 EGABRO Cc1ccc([C@@H](CNC(=O)c2conc2C2CC2)[NH+]2CCCC2)cc1 ZINC000280785561 456051663 /nfs/dbraw/zinc/05/16/63/456051663.db2.gz NTUPEQMFHALQHV-GOSISDBHSA-N 1 0 339.439 3.427 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(OC)c1OC ZINC000225047360 456071726 /nfs/dbraw/zinc/07/17/26/456071726.db2.gz CSKHCNZNNMQZRL-HNNXBMFYSA-N 1 0 334.460 3.088 40 0 EGABRO COc1ccc(CC(=O)NCc2ccccc2-n2ccnc2C)cc1C ZINC000225393403 456079939 /nfs/dbraw/zinc/07/99/39/456079939.db2.gz AADWENCYWWORKA-UHFFFAOYSA-N 1 0 349.434 3.357 40 0 EGABRO O=C(Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C(F)(F)F ZINC000225586956 456094276 /nfs/dbraw/zinc/09/42/76/456094276.db2.gz HCNJNWDWJYGUSE-UHFFFAOYSA-N 1 0 330.350 3.442 40 0 EGABRO C[NH+](C)CCCOc1ccc(NC(=O)C(C)(C)Br)cc1 ZINC000225594747 456095755 /nfs/dbraw/zinc/09/57/55/456095755.db2.gz ICUOICGSFHXPLF-UHFFFAOYSA-N 1 0 343.265 3.129 40 0 EGABRO CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236913296 456201512 /nfs/dbraw/zinc/20/15/12/456201512.db2.gz KTHLLHXFLKYUMD-MFKMUULPSA-N 1 0 343.240 3.064 40 0 EGABRO Cc1ncc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(C2CC2)n1 ZINC000281390672 456220246 /nfs/dbraw/zinc/22/02/46/456220246.db2.gz OYZIRKAUNSZXPM-YJYMSZOUSA-N 1 0 338.455 3.084 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(CC2CC2)C(=O)c2cccn23)s1 ZINC000306140785 456566706 /nfs/dbraw/zinc/56/67/06/456566706.db2.gz VEGHYFWRUAUWIC-QZTJIDSGSA-N 1 0 341.480 3.149 40 0 EGABRO Cc1ncc(C[N@@H+]2CCC[C@]3(CN(CC4CCCCC4)C3=O)C2)s1 ZINC000585099418 459823490 /nfs/dbraw/zinc/82/34/90/459823490.db2.gz IVJHSHVLGVDIRA-LJQANCHMSA-N 1 0 347.528 3.456 40 0 EGABRO Cc1cncn1C1CCN(C(=O)c2ccc(F)c3ccncc23)CC1 ZINC000585107781 459825506 /nfs/dbraw/zinc/82/55/06/459825506.db2.gz RDSYFGCHEBEXIB-UHFFFAOYSA-N 1 0 338.386 3.356 40 0 EGABRO Cc1cccc(O[C@@H]2CCC[C@H]([N@H+](C)CCN3CCCCC3)[C@H]2O)c1 ZINC000585288522 459833468 /nfs/dbraw/zinc/83/34/68/459833468.db2.gz CUSNSWGPEPFOAV-PWRODBHTSA-N 1 0 346.515 3.074 40 0 EGABRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)cc1 ZINC000585288621 459833811 /nfs/dbraw/zinc/83/38/11/459833811.db2.gz FSOLVIURTQMIIC-CEWLAPEOSA-N 1 0 341.451 3.454 40 0 EGABRO CCCc1cc(C[NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)on1 ZINC000585288671 459833898 /nfs/dbraw/zinc/83/38/98/459833898.db2.gz HDDGTIVQDXZICX-IPMKNSEASA-N 1 0 330.428 3.078 40 0 EGABRO S=C(NCc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000003437134 526383959 /nfs/dbraw/zinc/38/39/59/526383959.db2.gz JPEDFSIYUVWPGA-UHFFFAOYSA-N 1 0 339.508 3.315 40 0 EGABRO CC(C)(C)c1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)no1 ZINC000155885173 526757246 /nfs/dbraw/zinc/75/72/46/526757246.db2.gz XQFYDKIREBWNPT-AWEZNQCLSA-N 1 0 334.464 3.312 40 0 EGABRO CC(C)C[NH2+][C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000103151242 1292996613 /nfs/dbraw/zinc/99/66/13/1292996613.db2.gz YWOIINXTWYFLGQ-GOSISDBHSA-N 1 0 338.407 3.356 40 0 EGABRO FC(F)(F)c1cnc(NCC[NH2+][C@H]2COC3(CCC3)C2)c(Cl)c1 ZINC000952852447 1334581738 /nfs/dbraw/zinc/58/17/38/1334581738.db2.gz WTNVUJISDIXDJO-LLVKDONJSA-N 1 0 349.784 3.467 40 0 EGABRO C[NH+](C)CCCN(Cc1ccco1)Cc1ccnn1[C@@H]1CCCCO1 ZINC000019582226 282085201 /nfs/dbraw/zinc/08/52/01/282085201.db2.gz DAIQPRUHJKSSOR-IBGZPJMESA-N 1 0 346.475 3.129 40 0 EGABRO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000066055334 215004846 /nfs/dbraw/zinc/00/48/46/215004846.db2.gz ZTZWBICGABZDQN-OALUTQOASA-N 1 0 337.419 3.181 40 0 EGABRO CC(=O)OC[C@]12CO[C@H](C[NH+]3CCCCC3)[C@H](C(C)=C[C@H]1C)[C@@H]2C ZINC000004023210 210102123 /nfs/dbraw/zinc/10/21/23/210102123.db2.gz DMZHTDDKCJBBRN-LHDHZVESSA-N 1 0 335.488 3.269 40 0 EGABRO COc1ccc(-c2cc(CC3([NH2+]CCC(C)C)COC3)no2)cc1 ZINC000067898349 215245359 /nfs/dbraw/zinc/24/53/59/215245359.db2.gz JJCQCMAGFVLPMC-UHFFFAOYSA-N 1 0 330.428 3.297 40 0 biogenic,in-vitro EGABRO CC[NH+](CC)CCNC(=O)c1ccc(COc2ccccc2)cc1 ZINC000001576576 209762251 /nfs/dbraw/zinc/76/22/51/209762251.db2.gz ATCYRIMXDUXXDC-UHFFFAOYSA-N 1 0 326.440 3.337 40 0 EGABRO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 ZINC000183564971 235141321 /nfs/dbraw/zinc/14/13/21/235141321.db2.gz FUYMNNJYXHXJAV-HOCLYGCPSA-N 1 0 326.481 3.181 40 0 EGABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2[nH]cnc2C)s1 ZINC000036740418 213115204 /nfs/dbraw/zinc/11/52/04/213115204.db2.gz NOBQVZPQSXISPO-UHFFFAOYSA-N 1 0 329.473 3.377 40 0 EGABRO O=C(C[NH+]1CCCC1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 ZINC000072358040 216166041 /nfs/dbraw/zinc/16/60/41/216166041.db2.gz MSDFLAMPDHDMSE-NRFANRHFSA-N 1 0 349.478 3.432 40 0 EGABRO CC(C)(C)C[NH+]1CCC(c2nccnc2Nc2cnccn2)CC1 ZINC000072361896 216168907 /nfs/dbraw/zinc/16/89/07/216168907.db2.gz SQBDIRXACPWKRL-UHFFFAOYSA-N 1 0 326.448 3.236 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@H]2c2cc(CCC(N)=O)cc(C)n2)c1 ZINC000072367128 216172740 /nfs/dbraw/zinc/17/27/40/216172740.db2.gz KNCNEYSBCHNFAX-FQEVSTJZSA-N 1 0 337.467 3.453 40 0 EGABRO c1cn(-c2cncc([C@H]3CCC[N@H+]3CCCc3ccccc3)n2)cn1 ZINC000072378674 216180427 /nfs/dbraw/zinc/18/04/27/216180427.db2.gz GKWHWPSHQQWGHL-LJQANCHMSA-N 1 0 333.439 3.432 40 0 EGABRO c1ccc(C[NH+]2CCC(c3nccnc3Oc3cccnc3)CC2)nc1 ZINC000072383639 216184479 /nfs/dbraw/zinc/18/44/79/216184479.db2.gz NOMHJQYGHPNKED-UHFFFAOYSA-N 1 0 347.422 3.439 40 0 EGABRO CCC(CC)[C@H](CNC(=O)Nc1ccc(C)cc1)[NH+]1CCOCC1 ZINC000022966297 212339578 /nfs/dbraw/zinc/33/95/78/212339578.db2.gz MOLQPEGITUNVRR-SFHVURJKSA-N 1 0 333.476 3.254 40 0 EGABRO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000195551347 241000128 /nfs/dbraw/zinc/00/01/28/241000128.db2.gz QOZLONHNMKUSGV-MOPGFXCFSA-N 1 0 346.471 3.363 40 0 EGABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2c(F)cccc2F)C1 ZINC000225736839 242013164 /nfs/dbraw/zinc/01/31/64/242013164.db2.gz MGMMJYHQDRAGKU-LBPRGKRZSA-N 1 0 327.444 3.373 40 0 EGABRO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000252537133 243854039 /nfs/dbraw/zinc/85/40/39/243854039.db2.gz KKFLYCQTSJXWSB-PMACEKPBSA-N 1 0 341.451 3.410 40 0 EGABRO c1cc(COCC[C@@H]2CCOC23CC[NH+](CC2CC2)CC3)ccn1 ZINC000253590429 244029646 /nfs/dbraw/zinc/02/96/46/244029646.db2.gz BAQMJEDCAFWORV-LJQANCHMSA-N 1 0 330.472 3.269 40 0 EGABRO Cc1ccc(C(=O)N2CCCC[C@H]3[NH2+][C@@H](c4ccccc4)C[C@@H]32)cn1 ZINC000257200126 244117864 /nfs/dbraw/zinc/11/78/64/244117864.db2.gz ACCPHBKRRNLWCX-AQNXPRMDSA-N 1 0 335.451 3.488 40 0 EGABRO Cc1nc([C@@]2(C)CCC[N@@H+](C3CCN(C)CC3)C2)c2sccn12 ZINC000257243759 244251387 /nfs/dbraw/zinc/25/13/87/244251387.db2.gz IILHUFJRAIOJNO-SFHVURJKSA-N 1 0 332.517 3.152 40 0 EGABRO c1c2ccccc2sc1C[N@H+]1CCOC[C@H](Cc2ccncn2)C1 ZINC000257242132 244246524 /nfs/dbraw/zinc/24/65/24/244246524.db2.gz IBFUFSWPUYPWDF-OAHLLOKOSA-N 1 0 339.464 3.382 40 0 EGABRO Cc1nc([C@H]2CCC[N@H+]2C)cc(N2CC3(CCCCC3)OC2=O)n1 ZINC000257268958 244368635 /nfs/dbraw/zinc/36/86/35/244368635.db2.gz MNYCGTLLQGJNGX-OAHLLOKOSA-N 1 0 330.432 3.211 40 0 EGABRO O=C(CC(F)(F)F)N1CCC[C@@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257263519 244352982 /nfs/dbraw/zinc/35/29/82/244352982.db2.gz LQHJHYQEGAAIIO-OAHLLOKOSA-N 1 0 341.377 3.293 40 0 EGABRO CC1(C)Cc2cc(C[N@@H+]3CC[C@H](C(=O)NC4CCCC4)C3)ccc2O1 ZINC000019750390 212062182 /nfs/dbraw/zinc/06/21/82/212062182.db2.gz WBHWHTYMZSWIAK-INIZCTEOSA-N 1 0 342.483 3.281 40 0 EGABRO CC1(C)Cc2cc(C[NH+]3CCC(Oc4cnccn4)CC3)ccc2O1 ZINC000019658949 212054468 /nfs/dbraw/zinc/05/44/68/212054468.db2.gz YVDXGIKKSPNESP-UHFFFAOYSA-N 1 0 339.439 3.234 40 0 EGABRO COc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000019570067 212043345 /nfs/dbraw/zinc/04/33/45/212043345.db2.gz LWQHMTRTOAERJW-MRXNPFEDSA-N 1 0 336.395 3.130 40 0 EGABRO Cc1nc([C@H](Cc2ccsc2)NC(=O)[C@H]2CCC[NH2+]C2)sc1C ZINC000019559700 212043106 /nfs/dbraw/zinc/04/31/06/212043106.db2.gz PPBZBMORXNPQHN-GJZGRUSLSA-N 1 0 349.525 3.221 40 0 EGABRO CC(C)Oc1cccc(CN(CC[NH+](C)C)Cc2ccccn2)c1 ZINC000019450788 212029044 /nfs/dbraw/zinc/02/90/44/212029044.db2.gz VCNUCJUNLIGMQA-UHFFFAOYSA-N 1 0 327.472 3.433 40 0 EGABRO OC1(Cn2ccc3ccncc32)CC[NH+](Cc2ccsc2)CC1 ZINC000019404724 212025368 /nfs/dbraw/zinc/02/53/68/212025368.db2.gz ZMGKISGQLQUMHV-UHFFFAOYSA-N 1 0 327.453 3.125 40 0 EGABRO Nc1cccc(Oc2cc([C@H]3CCC[NH2+]C3)nc(-c3ccncc3)n2)c1 ZINC000019330998 212016695 /nfs/dbraw/zinc/01/66/95/212016695.db2.gz BZKDJECIZHZXQH-HNNXBMFYSA-N 1 0 347.422 3.380 40 0 EGABRO OCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(Cl)c1Cl ZINC000019292606 212012940 /nfs/dbraw/zinc/01/29/40/212012940.db2.gz RMKVILGTPGRSHW-KBPBESRZSA-N 1 0 329.271 3.024 40 0 EGABRO Cc1ccc([C@@H](CNC(=O)CSc2ccncc2)[NH+]2CCCC2)o1 ZINC000078393909 217046705 /nfs/dbraw/zinc/04/67/05/217046705.db2.gz RAKFPCWNCONMFJ-MRXNPFEDSA-N 1 0 345.468 3.028 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000078657048 217096423 /nfs/dbraw/zinc/09/64/23/217096423.db2.gz KLCOSRSSFAKRHM-GXTWGEPZSA-N 1 0 335.414 3.281 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000078657052 217096475 /nfs/dbraw/zinc/09/64/75/217096475.db2.gz KLCOSRSSFAKRHM-JSGCOSHPSA-N 1 0 335.414 3.281 40 0 EGABRO O=C(Nc1c[nH+]ccc1N1CCCCC1)c1cc(=O)c2ccccc2o1 ZINC000079041180 217180010 /nfs/dbraw/zinc/18/00/10/217180010.db2.gz VAAFWJVLLWEGBQ-UHFFFAOYSA-N 1 0 349.390 3.431 40 0 EGABRO C[C@H]([NH2+]C1(CNC(=O)c2cccs2)CCOCC1)c1ccccc1 ZINC000079096178 217191243 /nfs/dbraw/zinc/19/12/43/217191243.db2.gz PVOJYUQUZXPWBR-HNNXBMFYSA-N 1 0 344.480 3.378 40 0 EGABRO Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)on1 ZINC000012366569 211356877 /nfs/dbraw/zinc/35/68/77/211356877.db2.gz BPZFRLRWTUUNQD-CZUORRHYSA-N 1 0 340.345 3.349 40 0 EGABRO Cc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1C ZINC000012292201 211334412 /nfs/dbraw/zinc/33/44/12/211334412.db2.gz RPRXSYBSIDFLGH-FQEVSTJZSA-N 1 0 343.442 3.460 40 0 EGABRO CCCc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)s1 ZINC000012116996 211296707 /nfs/dbraw/zinc/29/67/07/211296707.db2.gz CYZKXPXHBSPDMM-RTHVDDQRSA-N 1 0 345.512 3.449 40 0 EGABRO C[N@@H+]1CCC[C@@H](CNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000009876554 211130140 /nfs/dbraw/zinc/13/01/40/211130140.db2.gz GAHALRUJSWSMDI-NSHDSACASA-N 1 0 331.407 3.334 40 0 EGABRO C[C@@H]1CC[C@H](CCC(=O)NC2CC[NH+](Cc3cccs3)CC2)O1 ZINC000095404733 218340354 /nfs/dbraw/zinc/34/03/54/218340354.db2.gz XIKDUUBKVCCANO-GDBMZVCRSA-N 1 0 336.501 3.176 40 0 EGABRO C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1ncc(C(C)(C)C)o1 ZINC000095406479 218342572 /nfs/dbraw/zinc/34/25/72/218342572.db2.gz MHLYEXWUTBYEJQ-OAHLLOKOSA-N 1 0 335.492 3.268 40 0 EGABRO Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)C3CCOCC3)cc2)n1 ZINC000095420317 218360666 /nfs/dbraw/zinc/36/06/66/218360666.db2.gz BXWFHEKABXDXPU-QGZVFWFLSA-N 1 0 327.472 3.436 40 0 EGABRO Cc1csc(N2CCC([NH2+]CCc3sc(C)nc3C)CC2)n1 ZINC000095422205 218364101 /nfs/dbraw/zinc/36/41/01/218364101.db2.gz WEPWBCSRRFNEBZ-UHFFFAOYSA-N 1 0 336.530 3.326 40 0 EGABRO CC(C)[NH+](CCNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(C)C ZINC000007813927 210852252 /nfs/dbraw/zinc/85/22/52/210852252.db2.gz UXNRFYRVGPEYFD-LJQANCHMSA-N 1 0 348.487 3.093 40 0 EGABRO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](CC1CC1)CC2 ZINC000096036990 218518186 /nfs/dbraw/zinc/51/81/86/218518186.db2.gz PPHGKGCOAIJTPM-UHFFFAOYSA-N 1 0 336.483 3.197 40 0 EGABRO c1coc(C[NH+]2CCC3(CO[C@H](COCC4CCOCC4)C3)CC2)c1 ZINC000096110784 218606713 /nfs/dbraw/zinc/60/67/13/218606713.db2.gz BWVMJGDRKQQLND-IBGZPJMESA-N 1 0 349.471 3.094 40 0 EGABRO CCc1nncn1CC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000096483945 218860146 /nfs/dbraw/zinc/86/01/46/218860146.db2.gz MINXOIOZZZCTIW-UHFFFAOYSA-N 1 0 332.757 3.303 40 0 EGABRO COCc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000097101294 218953548 /nfs/dbraw/zinc/95/35/48/218953548.db2.gz RRZUISQXWVUWQC-INIZCTEOSA-N 1 0 331.460 3.173 40 0 EGABRO CCOCCCNC(=O)C1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000116877354 221002990 /nfs/dbraw/zinc/00/29/90/221002990.db2.gz AIDAGAUIDVEIIJ-QGZVFWFLSA-N 1 0 332.488 3.045 40 0 EGABRO c1cc(C[NH+]2CCC3(CO[C@@H](COCc4cccnc4)C3)CC2)co1 ZINC000096106137 285434557 /nfs/dbraw/zinc/43/45/57/285434557.db2.gz RCEZOOHMSXWKMB-LJQANCHMSA-N 1 0 342.439 3.263 40 0 EGABRO Cc1cccc([C@H]2CCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000173931356 292582220 /nfs/dbraw/zinc/58/22/20/292582220.db2.gz MAUVWGYVLPEGBH-QGZVFWFLSA-N 1 0 341.459 3.122 40 0 EGABRO Cc1cc(OCC(=O)NCCC2CC[NH+](C)CC2)cc(C)c1Cl ZINC000159103948 225147124 /nfs/dbraw/zinc/14/71/24/225147124.db2.gz AQHUQVZLBQHISG-UHFFFAOYSA-N 1 0 338.879 3.184 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@H](c1ccccc1)[C@H](O)C1=CCCC1 ZINC000001593586 279107967 /nfs/dbraw/zinc/10/79/67/279107967.db2.gz QEDNEDZUHNKWMR-RTBURBONSA-N 1 0 331.456 3.126 40 0 EGABRO CN(C)C(=O)c1sc2nccnc2c1[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000257276427 289035050 /nfs/dbraw/zinc/03/50/50/289035050.db2.gz NTSIIHZMJONEDW-LBPRGKRZSA-N 1 0 344.484 3.125 40 0 EGABRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CCOCC1 ZINC000095423357 290010627 /nfs/dbraw/zinc/01/06/27/290010627.db2.gz BMBOARDOHDAIOH-NUEKZKHPSA-N 1 0 326.481 3.085 40 0 EGABRO Cc1ncsc1C(=O)N1CCCC[C@@H]1c1nc(C)cc2c[nH+]cn21 ZINC000257238336 293672559 /nfs/dbraw/zinc/67/25/59/293672559.db2.gz HKLZODSIHGLTKP-CQSZACIVSA-N 1 0 341.440 3.170 40 0 EGABRO CC(=O)c1ccc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1 ZINC000097103194 323215268 /nfs/dbraw/zinc/21/52/68/323215268.db2.gz RFJQDWXVNPBVRQ-UHFFFAOYSA-N 1 0 346.452 3.060 40 0 EGABRO CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COC[C@H]1CC=CCC1 ZINC000000110069 452510063 /nfs/dbraw/zinc/51/00/63/452510063.db2.gz GAHNUXUZIZSIOF-ROUUACIJSA-N 1 0 343.491 3.152 40 0 EGABRO CCn1c(C)[n+](C[C@@H](O)COc2cccc(C)c2)c2ccccc21 ZINC000000316217 452562991 /nfs/dbraw/zinc/56/29/91/452562991.db2.gz GWOFUMHAFFWIFQ-QGZVFWFLSA-N 1 0 325.432 3.005 40 0 EGABRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000006305971 452932822 /nfs/dbraw/zinc/93/28/22/452932822.db2.gz BRSSLYFADAXSDI-HNNXBMFYSA-N 1 0 337.460 3.017 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1ccc(C)cc1 ZINC000006382285 452938328 /nfs/dbraw/zinc/93/83/28/452938328.db2.gz BLAYYINNKMRCSQ-NRFANRHFSA-N 1 0 341.451 3.116 40 0 EGABRO S=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000007990767 453146182 /nfs/dbraw/zinc/14/61/82/453146182.db2.gz DEPXTJGCHSZECI-YQVWRLOYSA-N 1 0 343.540 3.304 40 0 EGABRO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OCC(=O)NC(C)(C)C ZINC000008326728 453192006 /nfs/dbraw/zinc/19/20/06/453192006.db2.gz YTFOJSJDFHFFMI-AWEZNQCLSA-N 1 0 336.476 3.267 40 0 EGABRO COc1cccc(CNCCC[NH+](C)C)c1OCc1ccccc1F ZINC000008373904 453198743 /nfs/dbraw/zinc/19/87/43/453198743.db2.gz LCHLRZBBVYHCII-UHFFFAOYSA-N 1 0 346.446 3.455 40 0 EGABRO C[NH+]1CCN(c2ccc(NC(=O)CSc3ccccc3)cc2)CC1 ZINC000008707941 453224470 /nfs/dbraw/zinc/22/44/70/453224470.db2.gz YVKPBCBJSBRDQZ-UHFFFAOYSA-N 1 0 341.480 3.169 40 0 EGABRO Cc1ncc(C[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)n1-c1ccccc1 ZINC000084050807 453966183 /nfs/dbraw/zinc/96/61/83/453966183.db2.gz ZQOOKLOZRMZQHH-INIZCTEOSA-N 1 0 346.434 3.396 40 0 EGABRO O=C(Nc1ccccc1C[NH+]1CCCC1)c1n[nH]cc1Br ZINC000076958336 454053175 /nfs/dbraw/zinc/05/31/75/454053175.db2.gz HPRWRQSQEPLNNN-UHFFFAOYSA-N 1 0 349.232 3.020 40 0 EGABRO Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2cc[nH+]cc2)c(C)o1 ZINC000071195718 454202492 /nfs/dbraw/zinc/20/24/92/454202492.db2.gz LCPRZLKPRMUNLA-KRWDZBQOSA-N 1 0 336.395 3.285 40 0 EGABRO COc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1F ZINC000046375044 454246617 /nfs/dbraw/zinc/24/66/17/454246617.db2.gz PMURJBMKENJZBZ-UHFFFAOYSA-N 1 0 342.414 3.360 40 0 EGABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)N(C)C)CC3)CC2)c1 ZINC000096047252 454270065 /nfs/dbraw/zinc/27/00/65/454270065.db2.gz DMQRGNUDZOZBHH-UHFFFAOYSA-N 1 0 345.487 3.055 40 0 EGABRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2=O)c1 ZINC000096050577 454272863 /nfs/dbraw/zinc/27/28/63/454272863.db2.gz DNXQCBLDYYXZMZ-NRFANRHFSA-N 1 0 335.451 3.015 40 0 EGABRO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccc(F)cc4)C[C@@H]3C2=O)c1 ZINC000096053706 454272893 /nfs/dbraw/zinc/27/28/93/454272893.db2.gz KHJFZBNVKOHTJU-ICSRJNTNSA-N 1 0 338.426 3.225 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccoc2)C[C@]12CCN(c1cccnc1)C2 ZINC000096051123 454273206 /nfs/dbraw/zinc/27/32/06/454273206.db2.gz ASTQOGNBZWPPLS-KRWDZBQOSA-N 1 0 333.382 3.412 40 0 EGABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccccn3)C[C@@H]21 ZINC000096054592 454274477 /nfs/dbraw/zinc/27/44/77/454274477.db2.gz TVANRJKGPVDAOX-VDZJLULYSA-N 1 0 339.439 3.047 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@H]3CCN(C(=O)c4cscn4)C[C@H]3C2)s1 ZINC000096054144 454274896 /nfs/dbraw/zinc/27/48/96/454274896.db2.gz FJIIVABBLOHGPL-ZIAGYGMSSA-N 1 0 347.509 3.107 40 0 EGABRO c1cc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cs1 ZINC000096073152 454279899 /nfs/dbraw/zinc/27/98/99/454279899.db2.gz YTPTZAUTLIVSMS-GOSISDBHSA-N 1 0 344.480 3.483 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)o1 ZINC000096100284 454282566 /nfs/dbraw/zinc/28/25/66/454282566.db2.gz ABKQHMCOUIOUBC-IBGZPJMESA-N 1 0 338.451 3.426 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)o1 ZINC000096100285 454282634 /nfs/dbraw/zinc/28/26/34/454282634.db2.gz ABKQHMCOUIOUBC-LJQANCHMSA-N 1 0 338.451 3.426 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@@H]3OCCC[C@@H]32)s1 ZINC000096110778 454287281 /nfs/dbraw/zinc/28/72/81/454287281.db2.gz WEQBCFXQPDDEFY-IPMKNSEASA-N 1 0 344.480 3.400 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2ccncc2)s1 ZINC000096110752 454287750 /nfs/dbraw/zinc/28/77/50/454287750.db2.gz DQFLKUUURVTMFN-QZTJIDSGSA-N 1 0 341.480 3.217 40 0 EGABRO Cc1cccc(CN2CCC3(CC[NH+](Cc4ccccn4)CC3)C2=O)c1 ZINC000096157980 454294137 /nfs/dbraw/zinc/29/41/37/454294137.db2.gz PTMXGGWLYYCQOS-UHFFFAOYSA-N 1 0 349.478 3.405 40 0 EGABRO O=C(c1cccc(Cl)c1)N1CCC2(CC([NH+]3CCOCC3)C2)CC1 ZINC000096159242 454295922 /nfs/dbraw/zinc/29/59/22/454295922.db2.gz IKFRJMFLFYGEKV-UHFFFAOYSA-N 1 0 348.874 3.057 40 0 EGABRO COCCO[C@H]1CC[N@H+](Cc2csc(C)n2)[C@H]1Cc1ccccc1 ZINC000096200410 454302908 /nfs/dbraw/zinc/30/29/08/454302908.db2.gz ONUPKKHBLMAAQB-OALUTQOASA-N 1 0 346.496 3.300 40 0 EGABRO CCOC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)[N@@H+]1CC1CC1 ZINC000096206701 454303760 /nfs/dbraw/zinc/30/37/60/454303760.db2.gz JPQYRLOHKNPTIF-FQEVSTJZSA-N 1 0 343.515 3.327 40 0 EGABRO c1cc(C[N@H+]2CCC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)cs1 ZINC000096206206 454303959 /nfs/dbraw/zinc/30/39/59/454303959.db2.gz RZMQWTJIQKXPCX-OALUTQOASA-N 1 0 344.480 3.483 40 0 EGABRO CCOC[C@@H]1CCC2(CCN(C(=O)C3=CCCC3)CC2)[N@@H+]1CC1CC1 ZINC000096207856 454304254 /nfs/dbraw/zinc/30/42/54/454304254.db2.gz FAIFRRPPVSTCAM-IBGZPJMESA-N 1 0 346.515 3.369 40 0 EGABRO COC[C@H]1COCCC12CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000096208098 454304712 /nfs/dbraw/zinc/30/47/12/454304712.db2.gz JZWORLYPGXORNU-SFHVURJKSA-N 1 0 340.467 3.500 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](OCC4CCOCC4)CO3)C2)o1 ZINC000096208528 454305515 /nfs/dbraw/zinc/30/55/15/454305515.db2.gz KXEZBGISYPFPTD-PMACEKPBSA-N 1 0 349.471 3.155 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccncc2)C[C@]12CCN(c1ccccn1)C2 ZINC000096239614 454310787 /nfs/dbraw/zinc/31/07/87/454310787.db2.gz UNMFVVJFTBGMOU-SFHVURJKSA-N 1 0 344.409 3.214 40 0 EGABRO O=C(c1cccc(C[NH2+]CC2=Cc3ccccc3OC2)c1)N1CCCC1 ZINC000078979835 454348022 /nfs/dbraw/zinc/34/80/22/454348022.db2.gz JSTMDVUDWZOUEY-UHFFFAOYSA-N 1 0 348.446 3.488 40 0 EGABRO Cc1noc(C)c1CC(=O)OC1CC[NH+](Cc2ccsc2)CC1 ZINC000096442746 454350612 /nfs/dbraw/zinc/35/06/12/454350612.db2.gz MOODJXWSAXRPGD-UHFFFAOYSA-N 1 0 334.441 3.103 40 0 EGABRO O=C(NC[C@H]1OCCc2sccc21)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000096452104 454356706 /nfs/dbraw/zinc/35/67/06/454356706.db2.gz KSSKTVGDDGZSGT-RHSMWYFYSA-N 1 0 348.512 3.133 40 0 EGABRO CC(C)(C[NH2+][C@@H]1CCCS(=O)(=O)C1)Cc1cccc(Cl)c1 ZINC000096491692 454368196 /nfs/dbraw/zinc/36/81/96/454368196.db2.gz FJVDNCCQKVZHKH-OAHLLOKOSA-N 1 0 329.893 3.076 40 0 EGABRO Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1-c1ncco1 ZINC000096499969 454372026 /nfs/dbraw/zinc/37/20/26/454372026.db2.gz GZBLVEITZRGLMC-QGZVFWFLSA-N 1 0 342.443 3.454 40 0 EGABRO Cc1cc(NC(=S)NC2CC[NH+](C)CC2)ccc1Br ZINC000063142632 454394371 /nfs/dbraw/zinc/39/43/71/454394371.db2.gz PGQNTYDQAPBZTH-UHFFFAOYSA-N 1 0 342.306 3.138 40 0 EGABRO COc1cccc(CC2CC[NH+](C3CCC(NC(C)=O)CC3)CC2)c1 ZINC000097102457 454407522 /nfs/dbraw/zinc/40/75/22/454407522.db2.gz WKHAPMUDUFOJQC-UHFFFAOYSA-N 1 0 344.499 3.397 40 0 EGABRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccco1 ZINC000097232237 454428806 /nfs/dbraw/zinc/42/88/06/454428806.db2.gz NFZAZTFUNYIKFF-HOCLYGCPSA-N 1 0 327.428 3.150 40 0 EGABRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc3ccccn3c2)CC1 ZINC000074429025 454579449 /nfs/dbraw/zinc/57/94/49/454579449.db2.gz IHTXNVNREOYDRB-UHFFFAOYSA-N 1 0 337.423 3.269 40 0 EGABRO CC[C@H]([NH2+]Cc1nc2c(nccc2C)[nH]1)c1ccc2c(c1)OCCO2 ZINC000162319857 454767269 /nfs/dbraw/zinc/76/72/69/454767269.db2.gz JUGUBUCNDSHKJJ-AWEZNQCLSA-N 1 0 338.411 3.278 40 0 EGABRO CN(C)C(=O)NC1CC2(C1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000108532371 454801705 /nfs/dbraw/zinc/80/17/05/454801705.db2.gz IEQMCPWIQIIWNK-UHFFFAOYSA-N 1 0 335.879 3.356 40 0 EGABRO C[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccc([S@@](C)=O)cc1 ZINC000110687326 454851231 /nfs/dbraw/zinc/85/12/31/454851231.db2.gz BJURMEUUUOGMOP-CCQPRUGESA-N 1 0 343.492 3.299 40 0 EGABRO CCOC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000245338780 455282398 /nfs/dbraw/zinc/28/23/98/455282398.db2.gz ONIHBFNKQYVQDW-RDJZCZTQSA-N 1 0 349.862 3.264 40 0 EGABRO COC(=O)c1cc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)oc1C ZINC000192039005 455546344 /nfs/dbraw/zinc/54/63/44/455546344.db2.gz FZMNTLRMQJAOLV-YJBOKZPZSA-N 1 0 329.396 3.242 40 0 EGABRO C[N@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccccn3)C[C@@H]21 ZINC000248140300 455687501 /nfs/dbraw/zinc/68/75/01/455687501.db2.gz TVANRJKGPVDAOX-HHXXYDBFSA-N 1 0 339.439 3.047 40 0 EGABRO c1nc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)oc1C1CC1 ZINC000253416137 455841254 /nfs/dbraw/zinc/84/12/54/455841254.db2.gz XFZYBIMIRBEERV-HNNXBMFYSA-N 1 0 341.459 3.250 40 0 EGABRO C[C@@H]1CN(c2nccc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)n2)C[C@@H](C)O1 ZINC000253603297 455854579 /nfs/dbraw/zinc/85/45/79/455854579.db2.gz JSRKLFWAMGIZPM-VXIBKDFQSA-N 1 0 344.503 3.245 40 0 EGABRO Clc1cc(Cl)cc(CCN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000194609624 455864250 /nfs/dbraw/zinc/86/42/50/455864250.db2.gz KBRHPMCEPPKLKB-HNNXBMFYSA-N 1 0 343.298 3.190 40 0 EGABRO O[C@H]1CCCC[C@H]1[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1 ZINC000257225564 455880566 /nfs/dbraw/zinc/88/05/66/455880566.db2.gz FGTHVTNZGCCVEI-CVEARBPZSA-N 1 0 343.389 3.292 40 0 EGABRO Cc1n[nH]cc1C[N@@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257291827 455883658 /nfs/dbraw/zinc/88/36/58/455883658.db2.gz QIUBXPSWBPUCBG-MRXNPFEDSA-N 1 0 325.412 3.155 40 0 EGABRO C[N@@H+]1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCN2C(=O)c1ccccn1 ZINC000257289093 455883925 /nfs/dbraw/zinc/88/39/25/455883925.db2.gz PWYUEPDWOWOZPH-IHPCNDPISA-N 1 0 335.451 3.174 40 0 EGABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2)n1 ZINC000257322668 455892182 /nfs/dbraw/zinc/89/21/82/455892182.db2.gz WGXYLDUXUFMKEC-IBGZPJMESA-N 1 0 327.403 3.194 40 0 EGABRO C[NH+](C)CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257336191 455894772 /nfs/dbraw/zinc/89/47/72/455894772.db2.gz YNMQUNUHUCXVOP-QGZVFWFLSA-N 1 0 345.418 3.020 40 0 EGABRO O[C@@H]1CCCN(Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000195531631 455980778 /nfs/dbraw/zinc/98/07/78/455980778.db2.gz FYWXAYKYZVMEJI-AEFFLSMTSA-N 1 0 349.427 3.452 40 0 EGABRO CCC(=O)N1CC[C@@H]([NH2+][C@H](CN2CCC(C)CC2)c2cccs2)C1 ZINC000195560744 455984603 /nfs/dbraw/zinc/98/46/03/455984603.db2.gz REECEDYQQWGGIK-IAGOWNOFSA-N 1 0 349.544 3.122 40 0 EGABRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000195575885 455986889 /nfs/dbraw/zinc/98/68/89/455986889.db2.gz FKCMAHDEESQFKX-CQSZACIVSA-N 1 0 344.377 3.015 40 0 EGABRO COc1ccccc1[C@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)C(C)(C)C ZINC000195570476 455987826 /nfs/dbraw/zinc/98/78/26/455987826.db2.gz JGQPGRCBSNYEHB-YJBOKZPZSA-N 1 0 347.503 3.376 40 0 EGABRO O=C(NCCn1ccnc1C1CC1)c1ccccc1OC(F)(F)F ZINC000225567397 456092935 /nfs/dbraw/zinc/09/29/35/456092935.db2.gz JFQOIKJFWPOLOL-UHFFFAOYSA-N 1 0 339.317 3.089 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(F)c(C)c1 ZINC000225607832 456096974 /nfs/dbraw/zinc/09/69/74/456096974.db2.gz YIAROUQGBYFFDE-HNNXBMFYSA-N 1 0 342.480 3.067 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)N(CC2CC2)C(=O)c2cccn23)s1 ZINC000306140786 456567907 /nfs/dbraw/zinc/56/79/07/456567907.db2.gz VEGHYFWRUAUWIC-ROUUACIJSA-N 1 0 341.480 3.149 40 0 EGABRO CN1CC[C@@H](COc2ccccn2)CC12C[NH+](CC1CCCC1)C2 ZINC000585103476 459823943 /nfs/dbraw/zinc/82/39/43/459823943.db2.gz XHXBBTNTTXRYKH-GOSISDBHSA-N 1 0 329.488 3.047 40 0 EGABRO CC(C)Oc1ccc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000585139796 459828440 /nfs/dbraw/zinc/82/84/40/459828440.db2.gz CJLRJGSWVDKTBJ-UHFFFAOYSA-N 1 0 348.468 3.336 40 0 EGABRO Cc1ccccc1OC[C@@]1(O)COCC[N@@H+](C2CCCCCC2)C1 ZINC000585276410 459832082 /nfs/dbraw/zinc/83/20/82/459832082.db2.gz OJDSMCWWMTZFAX-FQEVSTJZSA-N 1 0 333.472 3.160 40 0 EGABRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)c1 ZINC000585288627 459833506 /nfs/dbraw/zinc/83/35/06/459833506.db2.gz FYFNRVPXEJAUTB-XUVXKRRUSA-N 1 0 345.414 3.285 40 0 EGABRO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000077611925 522660455 /nfs/dbraw/zinc/66/04/55/522660455.db2.gz SAZINDBTUUMOLD-SJORKVTESA-N 1 0 335.879 3.179 40 0 EGABRO O=C(CCCc1ccccc1)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225568383 526458883 /nfs/dbraw/zinc/45/88/83/526458883.db2.gz GSXOSDVAXCWSBB-LJQANCHMSA-N 1 0 346.540 3.343 40 0 EGABRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2(C)CCOCC2)C1 ZINC000131362602 526482738 /nfs/dbraw/zinc/48/27/38/526482738.db2.gz AUTXKEZBAZITOS-LSDHHAIUSA-N 1 0 326.481 3.229 40 0 EGABRO CCOC(CN/C(=C/c1ccc2ccccc2[n+]1C)SC)OCC ZINC000004622380 210233360 /nfs/dbraw/zinc/23/33/60/210233360.db2.gz SXHQEIPBWYSHBD-UHFFFAOYSA-O 1 0 347.504 3.314 40 0 EGABRO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCN(c3ncccc3F)C1)CCC2 ZINC000168175180 529747738 /nfs/dbraw/zinc/74/77/38/529747738.db2.gz ZSFCETMPHHSSMS-TZMCWYRMSA-N 1 0 346.475 3.486 40 0 EGABRO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1Br ZINC000004276586 210160180 /nfs/dbraw/zinc/16/01/80/210160180.db2.gz NVTVIELDMOSXEN-OLZOCXBDSA-N 1 0 328.250 3.063 40 0 EGABRO C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C(N)=O)ccc21 ZINC000067665001 215177693 /nfs/dbraw/zinc/17/76/93/215177693.db2.gz LYYWQJNKWCANAC-HXUWFJFHSA-N 1 0 342.414 3.040 40 0 in-vitro EGABRO CC[NH+](CC)CCOC(=O)C(OC)(c1ccccc1)c1ccccc1 ZINC000001608960 209766685 /nfs/dbraw/zinc/76/66/85/209766685.db2.gz SXKHPSYRYFKZHD-UHFFFAOYSA-N 1 0 341.451 3.462 40 0 EGABRO COc1cc(OC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ccc1O ZINC000038607739 213216420 /nfs/dbraw/zinc/21/64/20/213216420.db2.gz DTXXMQRFTUCBHG-WMLDXEAASA-N 1 0 331.387 3.312 40 0 EGABRO Cc1cn(-c2ccccc2)nc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000184435463 235397392 /nfs/dbraw/zinc/39/73/92/235397392.db2.gz BXKPNJZNPMQQTM-UHFFFAOYSA-N 1 0 340.471 3.220 40 0 EGABRO C[NH+](C)CCN(C(=O)c1csc(Br)c1)C1CCCC1 ZINC000037846257 213170542 /nfs/dbraw/zinc/17/05/42/213170542.db2.gz ZKGFCTMWGRFTGS-UHFFFAOYSA-N 1 0 345.306 3.457 40 0 EGABRO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH+]3CCOCC3)C=C2C)o1 ZINC000035442627 213029367 /nfs/dbraw/zinc/02/93/67/213029367.db2.gz NGJAWEFYHVZSSI-BZSNNMDCSA-N 1 0 333.476 3.107 40 0 biogenic,in-vitro EGABRO COc1ccc(C[NH2+]Cc2ccc(OC)c(Br)c2)cn1 ZINC000035256596 213015319 /nfs/dbraw/zinc/01/53/19/213015319.db2.gz TVORRUFQHGFKLI-UHFFFAOYSA-N 1 0 337.217 3.151 40 0 EGABRO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1Br ZINC000072324723 216151639 /nfs/dbraw/zinc/15/16/39/216151639.db2.gz FHEYWCHCHCCOSJ-TZMCWYRMSA-N 1 0 339.277 3.126 40 0 EGABRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072349507 216160336 /nfs/dbraw/zinc/16/03/36/216160336.db2.gz CENJUGQCHHZRGX-HNNXBMFYSA-N 1 0 341.430 3.155 40 0 EGABRO COc1ccc(C[NH2+]Cc2cc(-c3ccccc3)cn3nnnc23)cc1 ZINC000072347587 216160919 /nfs/dbraw/zinc/16/09/19/216160919.db2.gz BHELYMTYGSDHQK-UHFFFAOYSA-N 1 0 345.406 3.090 40 0 EGABRO c1cncc(Oc2nccnc2[C@H]2CCC[N@H+](C3CCOCC3)C2)c1 ZINC000072384252 216185072 /nfs/dbraw/zinc/18/50/72/216185072.db2.gz GUWHMBUXCIMZMS-HNNXBMFYSA-N 1 0 340.427 3.022 40 0 EGABRO CC1CC[NH+](Cc2cc(-c3ccc(F)cc3)cn3nnnc23)CC1 ZINC000072392333 216191533 /nfs/dbraw/zinc/19/15/33/216191533.db2.gz NWPJOBDVYRPGQZ-UHFFFAOYSA-N 1 0 325.391 3.162 40 0 EGABRO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)C2)cn1 ZINC000130066133 223117349 /nfs/dbraw/zinc/11/73/49/223117349.db2.gz QHHUIRCEHHVTAV-MJBXVCDLSA-N 1 0 330.398 3.100 40 0 EGABRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(-c2cncnc2)cc1 ZINC000073411631 216383942 /nfs/dbraw/zinc/38/39/42/216383942.db2.gz QSXVXFSKBQSHQW-KGLIPLIRSA-N 1 0 326.444 3.097 40 0 EGABRO O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000195555025 241003395 /nfs/dbraw/zinc/00/33/95/241003395.db2.gz GSSSNCUYSNMLCH-GOEBONIOSA-N 1 0 340.389 3.457 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccsc2)CC1 ZINC000195558517 241007885 /nfs/dbraw/zinc/00/78/85/241007885.db2.gz NWLYDLXVKBFJLS-HUUCEWRRSA-N 1 0 340.489 3.161 40 0 EGABRO CN(C)[C@@H](C[NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000022029948 212272156 /nfs/dbraw/zinc/27/21/56/212272156.db2.gz WDOOJNNTIMLENV-FQEVSTJZSA-N 1 0 337.467 3.006 40 0 EGABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225602639 241947860 /nfs/dbraw/zinc/94/78/60/241947860.db2.gz JRWSROCVNWZZJP-IBGZPJMESA-N 1 0 334.460 3.305 40 0 EGABRO c1cc2n(c1)[C@H](CCOc1ccccn1)C[N@H+](CC1CCOCC1)C2 ZINC000253588697 244026916 /nfs/dbraw/zinc/02/69/16/244026916.db2.gz OVMDOAFXWSENPJ-LJQANCHMSA-N 1 0 341.455 3.136 40 0 EGABRO Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000257232528 244217447 /nfs/dbraw/zinc/21/74/47/244217447.db2.gz GLGCRCORCPTJSW-PMOLBWCYSA-N 1 0 339.483 3.464 40 0 EGABRO Cc1[nH+]cc2cnc([C@H]3CCCN3C(=O)Cc3cccs3)cn21 ZINC000257242089 244247387 /nfs/dbraw/zinc/24/73/87/244247387.db2.gz IBBCSWHRDMOOBI-MRXNPFEDSA-N 1 0 326.425 3.005 40 0 EGABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000020045719 212097954 /nfs/dbraw/zinc/09/79/54/212097954.db2.gz CZIWROSNLHLDSE-IBGZPJMESA-N 1 0 332.488 3.391 40 0 EGABRO CCc1ccccc1O[C@H](C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000020043353 212096837 /nfs/dbraw/zinc/09/68/37/212096837.db2.gz LAAVKZNOMRUVQM-QGZVFWFLSA-N 1 0 332.488 3.255 40 0 EGABRO Cc1ncc(C[NH+]2CCC(c3ccc4c(C)nn(C)c4n3)CC2)s1 ZINC000019744791 212060641 /nfs/dbraw/zinc/06/06/41/212060641.db2.gz IOIBYGKTEWRLSM-UHFFFAOYSA-N 1 0 341.484 3.421 40 0 EGABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](C)C1 ZINC000019528726 212039195 /nfs/dbraw/zinc/03/91/95/212039195.db2.gz WWNDVZCWVMALKD-HXUWFJFHSA-N 1 0 341.455 3.041 40 0 EGABRO [NH3+][C@H]1CCc2nc(-c3cccnc3)nc(Nc3ccc(F)cc3)c2C1 ZINC000019341135 212018109 /nfs/dbraw/zinc/01/81/09/212018109.db2.gz MPNOZHQYTHIFBY-AWEZNQCLSA-N 1 0 335.386 3.237 40 0 EGABRO Fc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)c1F ZINC000019292701 212012743 /nfs/dbraw/zinc/01/27/43/212012743.db2.gz CSUQIKDATUFUDA-AWEZNQCLSA-N 1 0 342.349 3.399 40 0 EGABRO Cc1cnc(-c2nc([C@@H]3CCC[N@H+](Cc4cccs4)C3)no2)cn1 ZINC000019239034 212008332 /nfs/dbraw/zinc/00/83/32/212008332.db2.gz HOGJHMAFALPUKW-CYBMUJFWSA-N 1 0 341.440 3.276 40 0 EGABRO Fc1ccc(CNC2CC[NH+](CCc3ccncc3)CC2)c(F)c1 ZINC000078394255 217046824 /nfs/dbraw/zinc/04/68/24/217046824.db2.gz CXDGVZPJCJTAKA-UHFFFAOYSA-N 1 0 331.410 3.157 40 0 EGABRO Cc1occc1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000079096169 217191314 /nfs/dbraw/zinc/19/13/14/217191314.db2.gz NIFRLIMTANQQDW-HNNXBMFYSA-N 1 0 342.439 3.218 40 0 EGABRO Cc1noc(C)c1[C@@H](C)NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000079305990 217205700 /nfs/dbraw/zinc/20/57/00/217205700.db2.gz CRYZXJZMXPKULD-CQSZACIVSA-N 1 0 344.459 3.174 40 0 EGABRO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000079438485 217225346 /nfs/dbraw/zinc/22/53/46/217225346.db2.gz PMRWGBFRGXOQDE-OLZOCXBDSA-N 1 0 325.478 3.441 40 0 EGABRO C[S@@](=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000080344447 217299506 /nfs/dbraw/zinc/29/95/06/217299506.db2.gz DECUXJSSJGLRTF-IBGZPJMESA-N 1 0 338.270 3.476 40 0 EGABRO CCN(CC)C(=O)[C@H](c1ccccc1)[C@]1(O)CCCC[C@@H]1C[NH+](C)C ZINC000004783501 284546745 /nfs/dbraw/zinc/54/67/45/284546745.db2.gz ORSHIJVHWYGHBF-DYXWJJEUSA-N 1 0 346.515 3.122 40 0 EGABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1ccc(OC)c2ccccc12 ZINC000012362887 211355667 /nfs/dbraw/zinc/35/56/67/211355667.db2.gz WQNMBQXHPRKNNT-KRWDZBQOSA-N 1 0 340.467 3.382 40 0 EGABRO Nc1cc([C@@H]2CCC[NH2+]C2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000012338306 211351907 /nfs/dbraw/zinc/35/19/07/211351907.db2.gz ZIXHSOPIWGOPKH-GFCCVEGCSA-N 1 0 327.819 3.099 40 0 EGABRO Cc1cnc(-c2nc(C3CC[NH+](Cc4cccs4)CC3)no2)cn1 ZINC000012337353 211351296 /nfs/dbraw/zinc/35/12/96/211351296.db2.gz WICGETXSOCJXJK-UHFFFAOYSA-N 1 0 341.440 3.276 40 0 EGABRO COc1ccc(C2(O)CC[NH+](C[C@@H](O)c3ccc(C)cc3)CC2)cc1 ZINC000012292191 211334425 /nfs/dbraw/zinc/33/44/25/211334425.db2.gz JUVYGYQLFSRMOI-HXUWFJFHSA-N 1 0 341.451 3.021 40 0 EGABRO Cc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1C ZINC000012292195 211334456 /nfs/dbraw/zinc/33/44/56/211334456.db2.gz FTIVGKMECRUEGM-FQEVSTJZSA-N 1 0 343.442 3.460 40 0 EGABRO CC[NH+](CC)C[C@@H]1CCCN(C(=O)CCn2ccc3ccncc32)C1 ZINC000012144284 211304341 /nfs/dbraw/zinc/30/43/41/211304341.db2.gz TXNHZRVAGQZVPI-KRWDZBQOSA-N 1 0 342.487 3.007 40 0 EGABRO CCC[NH+]1CCC(CNC(=O)c2cc3c(cccc3OC)n2C)CC1 ZINC000012148621 211308305 /nfs/dbraw/zinc/30/83/05/211308305.db2.gz LNXJZVUROMEHCL-UHFFFAOYSA-N 1 0 343.471 3.039 40 0 EGABRO COc1ccccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ccccn1 ZINC000012089059 211289770 /nfs/dbraw/zinc/28/97/70/211289770.db2.gz CPIROOGUEBTRPA-HTZLVSCSSA-N 1 0 338.451 3.210 40 0 EGABRO CC[NH+](CC)CCNc1nc(Cl)nc2cc(OC)c(OC)cc21 ZINC000011756480 211244832 /nfs/dbraw/zinc/24/48/32/211244832.db2.gz FFDPNRFUNVHUQS-UHFFFAOYSA-N 1 0 338.839 3.054 40 0 EGABRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000092063918 218113633 /nfs/dbraw/zinc/11/36/33/218113633.db2.gz BEODXIGPQVXJIN-NTDBCUBYSA-N 1 0 329.465 3.248 40 0 EGABRO c1ccc(N2CCC([NH2+]Cc3ccnc(OCC4CC4)c3)CC2)nc1 ZINC000095422230 218364434 /nfs/dbraw/zinc/36/44/34/218364434.db2.gz SNDMPZVMIZYJDW-UHFFFAOYSA-N 1 0 338.455 3.024 40 0 EGABRO Brc1ccc(C[NH2+]CCCn2cccn2)c2ncccc12 ZINC000096496248 218873924 /nfs/dbraw/zinc/87/39/24/218873924.db2.gz YNJCEBRBZPTBLP-UHFFFAOYSA-N 1 0 345.244 3.374 40 0 EGABRO COc1ccc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c(Br)c1 ZINC000183577779 533173382 /nfs/dbraw/zinc/17/33/82/533173382.db2.gz BMPFOIZIUWTVCL-SDDRHHMPSA-N 1 0 326.234 3.045 40 0 EGABRO COc1ccc(CC[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000039990549 132398296 /nfs/dbraw/zinc/39/82/96/132398296.db2.gz QDBHWPWCKKLUFW-UHFFFAOYSA-N 1 0 338.451 3.263 40 0 EGABRO Cc1ccc(C(C)C)c(OCC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000171450832 144004215 /nfs/dbraw/zinc/00/42/15/144004215.db2.gz LLIWJLPDHUXADD-QGZVFWFLSA-N 1 0 330.472 3.194 40 0 EGABRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000133534367 286018488 /nfs/dbraw/zinc/01/84/88/286018488.db2.gz MUGIYKFHIKGPRI-GGKIJQQKSA-N 1 0 338.879 3.453 40 0 EGABRO CC(C)n1cccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1cccc(F)c1 ZINC000019454992 276085658 /nfs/dbraw/zinc/08/56/58/276085658.db2.gz XCCVXZCDDGYULO-MJGOQNOKSA-N 1 0 329.419 3.318 40 0 EGABRO CCO[C@H]1CC2(CC[NH+]([C@@H]3CCOC3)CC2)c2cc(OC)ccc21 ZINC000096241878 276485663 /nfs/dbraw/zinc/48/56/63/276485663.db2.gz TZRYPHVNMHINEB-BEFAXECRSA-N 1 0 331.456 3.299 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCCC1 ZINC000006382239 279107828 /nfs/dbraw/zinc/10/78/28/279107828.db2.gz KTWQAWSQSOISLN-GOSISDBHSA-N 1 0 333.472 3.350 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)[C@H]1C=CCCC1 ZINC000001710999 279107899 /nfs/dbraw/zinc/10/78/99/279107899.db2.gz HECLTPBVEVCPQT-AZUAARDMSA-N 1 0 331.456 3.116 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@@H](c1ccccc1)[C@@H](O)C1=CCCC1 ZINC000001593587 279107964 /nfs/dbraw/zinc/10/79/64/279107964.db2.gz QEDNEDZUHNKWMR-OALUTQOASA-N 1 0 331.456 3.126 40 0 EGABRO O=C(c1ccc(Cl)s1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000085473209 280184879 /nfs/dbraw/zinc/18/48/79/280184879.db2.gz LUPRMLRXTCZQLW-LBPRGKRZSA-N 1 0 344.933 3.445 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](CC3CCOCC3)CC[C@@H]2OC)cc1 ZINC000096110581 295141363 /nfs/dbraw/zinc/14/13/63/295141363.db2.gz XLSBUKPKYJNEFS-ICSRJNTNSA-N 1 0 333.472 3.001 40 0 EGABRO Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC000019572870 301254153 /nfs/dbraw/zinc/25/41/53/301254153.db2.gz HGZVADMWPWEXDO-MOPGFXCFSA-N 1 0 346.519 3.318 40 0 EGABRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000097230915 323215259 /nfs/dbraw/zinc/21/52/59/323215259.db2.gz OAJOQUIFTPQXQU-INIZCTEOSA-N 1 0 349.906 3.240 40 0 EGABRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CCCCS2)CC1 ZINC000390833117 324283114 /nfs/dbraw/zinc/28/31/14/324283114.db2.gz CHNFCSQOKJUOKH-SFHVURJKSA-N 1 0 332.513 3.395 40 0 EGABRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000189900270 455251375 /nfs/dbraw/zinc/25/13/75/455251375.db2.gz VTOCZENKZMWWPM-IFXJQAMLSA-N 1 0 325.387 3.396 40 0 EGABRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1scnc1-c1ccccc1 ZINC000001611481 452669992 /nfs/dbraw/zinc/66/99/92/452669992.db2.gz UBUZGZJAMIFYKM-AWEZNQCLSA-N 1 0 329.469 3.414 40 0 EGABRO Nc1cc(N)[nH+]c(SCCOc2ccc(Cl)cc2Cl)n1 ZINC000005229245 452849948 /nfs/dbraw/zinc/84/99/48/452849948.db2.gz CKIRIHNZAITUSS-UHFFFAOYSA-N 1 0 331.228 3.119 40 0 EGABRO CCC[NH+](CCC)C[C@@H](O)c1ccc(I)cc1 ZINC000006380181 452938865 /nfs/dbraw/zinc/93/88/65/452938865.db2.gz TXJZBNYAGGVLEM-CQSZACIVSA-N 1 0 347.240 3.447 40 0 EGABRO Cc1c(C)c(C)c(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(C)c1C ZINC000006627058 452961338 /nfs/dbraw/zinc/96/13/38/452961338.db2.gz YZXGZYUAWTZFRY-UHFFFAOYSA-N 1 0 340.533 3.095 40 0 EGABRO CSc1ncccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006946020 453009912 /nfs/dbraw/zinc/00/99/12/453009912.db2.gz AJGRXCORJUCTII-UHFFFAOYSA-N 1 0 341.480 3.198 40 0 EGABRO CCCC[NH2+]Cc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007261705 453052071 /nfs/dbraw/zinc/05/20/71/453052071.db2.gz VPEFPHYRMMZJFL-UHFFFAOYSA-N 1 0 345.395 3.410 40 0 EGABRO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H]3c3cccs3)nc12 ZINC000007989572 453146162 /nfs/dbraw/zinc/14/61/62/453146162.db2.gz FVQBSTGKTIPAER-OAHLLOKOSA-N 1 0 325.437 3.402 40 0 EGABRO S=C(NCCC[NH+]1CCCC1)Nc1cccc(Br)c1 ZINC000008110490 453162877 /nfs/dbraw/zinc/16/28/77/453162877.db2.gz YXZFEQUMRCYRIM-UHFFFAOYSA-N 1 0 342.306 3.221 40 0 EGABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000008337075 453194159 /nfs/dbraw/zinc/19/41/59/453194159.db2.gz PUYTZHMEXBMUCK-MRXNPFEDSA-N 1 0 333.403 3.274 40 0 EGABRO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]Cc4ccncc4)[C@H]3C=C12 ZINC000012664245 453388044 /nfs/dbraw/zinc/38/80/44/453388044.db2.gz AXMXPBSJTYIHAZ-WQEIZXBSSA-N 1 0 340.467 3.485 40 0 biogenic EGABRO COc1ccc2cc(C[NH2+]Cc3ccccc3Cl)c(=O)[nH]c2c1 ZINC000013998475 453495994 /nfs/dbraw/zinc/49/59/94/453495994.db2.gz JHIGHHKXCARTCV-UHFFFAOYSA-N 1 0 328.799 3.480 40 0 EGABRO O=C(COc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015140168 453559409 /nfs/dbraw/zinc/55/94/09/453559409.db2.gz FLWQQRQTGSRESK-UHFFFAOYSA-N 1 0 342.414 3.117 40 0 EGABRO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1cccc(C)c1 ZINC000016349243 453602266 /nfs/dbraw/zinc/60/22/66/453602266.db2.gz VLBRDWJFTSWOBC-UHFFFAOYSA-N 1 0 329.440 3.443 40 0 EGABRO Cc1ccc([C@H](O)C[NH+]2CCC(Oc3cccnc3)CC2)c(C)c1 ZINC000019132388 453654156 /nfs/dbraw/zinc/65/41/56/453654156.db2.gz LGCFFFCOYDXPAA-HXUWFJFHSA-N 1 0 326.440 3.275 40 0 EGABRO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@@H+]2CCOCc1ccccc1 ZINC000019711634 453658286 /nfs/dbraw/zinc/65/82/86/453658286.db2.gz WRQCQFFTKUTJAJ-VQTJNVASSA-N 1 0 330.472 3.069 40 0 EGABRO Cc1csc2nc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)cc(=O)n12 ZINC000025440488 453772829 /nfs/dbraw/zinc/77/28/29/453772829.db2.gz DRCNYXUFZAARHI-QGZVFWFLSA-N 1 0 339.464 3.272 40 0 EGABRO CN1C(=O)[C@H](c2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000039271123 453943554 /nfs/dbraw/zinc/94/35/54/453943554.db2.gz VWWROGPEPKDAAA-IBGZPJMESA-N 1 0 348.446 3.051 40 0 EGABRO Cc1cc(Cl)ccc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000076329938 453989475 /nfs/dbraw/zinc/98/94/75/453989475.db2.gz FLWYAAQZEHSVJX-HNNXBMFYSA-N 1 0 339.867 3.007 40 0 EGABRO Cc1ccccc1C[N@@H+]1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1 ZINC000085436206 454028977 /nfs/dbraw/zinc/02/89/77/454028977.db2.gz NWIQGBLTEAQZOQ-LJQANCHMSA-N 1 0 327.472 3.250 40 0 biogenic,in-vitro EGABRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000095422329 454208384 /nfs/dbraw/zinc/20/83/84/454208384.db2.gz CUIUHKVIQKFLJP-CYBMUJFWSA-N 1 0 338.498 3.303 40 0 EGABRO O=C(c1ccsc1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096046960 454269750 /nfs/dbraw/zinc/26/97/50/454269750.db2.gz HBXDKVYTUUJPAM-LJQANCHMSA-N 1 0 341.480 3.271 40 0 EGABRO COc1ccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)cc1 ZINC000096047600 454270240 /nfs/dbraw/zinc/27/02/40/454270240.db2.gz PLQCHCGIHJJJDF-APWZRJJASA-N 1 0 328.412 3.134 40 0 EGABRO Fc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1 ZINC000096048255 454271468 /nfs/dbraw/zinc/27/14/68/454271468.db2.gz MYFJIVPLFJRIFS-PMACEKPBSA-N 1 0 342.414 3.423 40 0 EGABRO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@H+](Cc1ccoc1)C2 ZINC000096050613 454273104 /nfs/dbraw/zinc/27/31/04/454273104.db2.gz KLQBEMKVNCVWMV-IBGZPJMESA-N 1 0 328.387 3.043 40 0 EGABRO Fc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096055150 454275027 /nfs/dbraw/zinc/27/50/27/454275027.db2.gz SKEOIBJYTBPYOI-UYAOXDASSA-N 1 0 344.405 3.302 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC(=O)N(CC2CC2)[C@H]3C)s1 ZINC000096062244 454277678 /nfs/dbraw/zinc/27/76/78/454277678.db2.gz DVDJSQHSFZOEJZ-HNNXBMFYSA-N 1 0 348.512 3.048 40 0 EGABRO Cc1cccc(C[NH+]2CCC3(CO[C@@H](COCC4CC4)C3)CC2)n1 ZINC000096105968 454283915 /nfs/dbraw/zinc/28/39/15/454283915.db2.gz FXKMWVPMCVFIAC-LJQANCHMSA-N 1 0 330.472 3.188 40 0 EGABRO c1cc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)co1 ZINC000096107328 454284757 /nfs/dbraw/zinc/28/47/57/454284757.db2.gz VGYJBHSXFPIUHP-MOPGFXCFSA-N 1 0 328.412 3.015 40 0 EGABRO c1cc(C[N@H+]2CCC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)co1 ZINC000096107506 454284902 /nfs/dbraw/zinc/28/49/02/454284902.db2.gz OYCYFZUESIUJOF-OALUTQOASA-N 1 0 328.412 3.015 40 0 EGABRO Cc1cccc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccoc2)CC3)n1 ZINC000096106802 454284989 /nfs/dbraw/zinc/28/49/89/454284989.db2.gz GWVRYVUPPCFLGV-LJQANCHMSA-N 1 0 342.439 3.323 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096158082 454294445 /nfs/dbraw/zinc/29/44/45/454294445.db2.gz JXWJFGCQYHCASG-SFHVURJKSA-N 1 0 346.500 3.236 40 0 EGABRO Cc1occc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096158054 454294494 /nfs/dbraw/zinc/29/44/94/454294494.db2.gz NFIISHUBYWJQND-FQEVSTJZSA-N 1 0 339.439 3.111 40 0 EGABRO Cc1occc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096158055 454294807 /nfs/dbraw/zinc/29/48/07/454294807.db2.gz NFIISHUBYWJQND-HXUWFJFHSA-N 1 0 339.439 3.111 40 0 EGABRO Cc1nn2c(nc(C)cc2NCCC[NH+](C)C)c1-c1cccs1 ZINC000072341687 454294950 /nfs/dbraw/zinc/29/49/50/454294950.db2.gz VYBUNXRHGJSJND-UHFFFAOYSA-N 1 0 329.473 3.438 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC2)Cc2ccccc2CN(C)C3=O)o1 ZINC000096161299 454295948 /nfs/dbraw/zinc/29/59/48/454295948.db2.gz PUSLSKICUBRLQC-UHFFFAOYSA-N 1 0 338.451 3.385 40 0 EGABRO Cc1cnc(N2CC[C@]3(C2)CCCC[N@@H+]3Cc2cccc(C)n2)nc1 ZINC000096203150 454304081 /nfs/dbraw/zinc/30/40/81/454304081.db2.gz XSGSLHAJHRRQHZ-FQEVSTJZSA-N 1 0 337.471 3.123 40 0 EGABRO Cc1nc(CO[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccco2)C3)cs1 ZINC000096207974 454304445 /nfs/dbraw/zinc/30/44/45/454304445.db2.gz QBCPVJPNLVSKKD-MSOLQXFVSA-N 1 0 348.468 3.385 40 0 EGABRO COC[C@H]1CCC2(CCN(C(=O)c3cccs3)CC2)[N@@H+]1CC1CC1 ZINC000096207864 454304597 /nfs/dbraw/zinc/30/45/97/454304597.db2.gz XWZPGPWVDSTKDO-MRXNPFEDSA-N 1 0 348.512 3.244 40 0 EGABRO c1csc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)c1 ZINC000096206677 454304634 /nfs/dbraw/zinc/30/46/34/454304634.db2.gz AYNJAYCLNMSNIV-AEFFLSMTSA-N 1 0 344.484 3.021 40 0 EGABRO CCOC[C@H]1CCC2(CCN(C(=O)C3=CCCC3)CC2)[N@@H+]1CC1CC1 ZINC000096207857 454304661 /nfs/dbraw/zinc/30/46/61/454304661.db2.gz FAIFRRPPVSTCAM-LJQANCHMSA-N 1 0 346.515 3.369 40 0 EGABRO CC(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216458 454307660 /nfs/dbraw/zinc/30/76/60/454307660.db2.gz UUQYVCGNFSXBMJ-HXUWFJFHSA-N 1 0 330.472 3.036 40 0 EGABRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)CC1=CCCCC1)C2 ZINC000096219886 454307921 /nfs/dbraw/zinc/30/79/21/454307921.db2.gz LLACGEDGIBOREM-PZJWPPBQSA-N 1 0 346.515 3.084 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)s1 ZINC000096239145 454310851 /nfs/dbraw/zinc/31/08/51/454310851.db2.gz KOOAVHGAMYWYIA-SFHVURJKSA-N 1 0 327.453 3.081 40 0 EGABRO Cc1nc(CN2CC[C@@]3(C2)C[N@H+](CC2CC2)CCC3(F)F)cs1 ZINC000096239794 454311433 /nfs/dbraw/zinc/31/14/33/454311433.db2.gz DKKBWEQEWQMDDD-INIZCTEOSA-N 1 0 341.471 3.395 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccncc2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096239615 454312090 /nfs/dbraw/zinc/31/20/90/454312090.db2.gz UNMFVVJFTBGMOU-GOSISDBHSA-N 1 0 344.409 3.214 40 0 EGABRO COc1ccsc1C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000096414019 454330397 /nfs/dbraw/zinc/33/03/97/454330397.db2.gz BFWXVDDRHLYWSN-UHFFFAOYSA-N 1 0 334.441 3.258 40 0 EGABRO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000090699897 454337059 /nfs/dbraw/zinc/33/70/59/454337059.db2.gz JLASSEGDBVRYQH-AWEZNQCLSA-N 1 0 346.418 3.215 40 0 EGABRO Cc1ccc2c(c1C)OC[C@H]2NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000096439815 454349861 /nfs/dbraw/zinc/34/98/61/454349861.db2.gz FWFJNYWYBOIYFF-YCXXCVGLSA-N 1 0 343.471 3.051 40 0 EGABRO Cc1cc(CNc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)o1 ZINC000096489069 454368682 /nfs/dbraw/zinc/36/86/82/454368682.db2.gz KZBRVBVWBSHNDE-KRWDZBQOSA-N 1 0 341.455 3.206 40 0 EGABRO Cc1nccn1CCC[N@@H+](C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000096489097 454368841 /nfs/dbraw/zinc/36/88/41/454368841.db2.gz ANSOOMIMEOGEIE-UHFFFAOYSA-N 1 0 325.412 3.128 40 0 EGABRO CCOc1cccc2cc([C@@H](C)[NH2+][C@H]3CCc4nc(C)nn4C3)oc21 ZINC000096493385 454369441 /nfs/dbraw/zinc/36/94/41/454369441.db2.gz ZMXBBGGDQWLBON-DOMZBBRYSA-N 1 0 340.427 3.397 40 0 EGABRO Cc1cc(NC(=O)N2CCC[N@@H+](C)CC2)nn1-c1ccc(Cl)cc1 ZINC000096499980 454371916 /nfs/dbraw/zinc/37/19/16/454371916.db2.gz JTAMDBOZYVYFCT-UHFFFAOYSA-N 1 0 347.850 3.004 40 0 EGABRO COc1ccccc1[C@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccco1 ZINC000133611590 454445550 /nfs/dbraw/zinc/44/55/50/454445550.db2.gz UDTZUNVJYPPKQB-PMTKGXAQSA-N 1 0 342.439 3.415 40 0 EGABRO Cn1c2ccccc2nc1C[N@@H+]1CC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000049169083 454537716 /nfs/dbraw/zinc/53/77/16/454537716.db2.gz JQNNKJCHOGZVBF-AWEZNQCLSA-N 1 0 331.423 3.439 40 0 biogenic,in-vitro EGABRO CCOc1c(F)cccc1C(=O)N(C1CC1)C1CC[NH+](CC)CC1 ZINC000074722776 454624954 /nfs/dbraw/zinc/62/49/54/454624954.db2.gz ULDBWUZVRLIGSU-UHFFFAOYSA-N 1 0 334.435 3.313 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)s1 ZINC000107785611 454772962 /nfs/dbraw/zinc/77/29/62/454772962.db2.gz LTLFTHGJBMNQKT-SJLPKXTDSA-N 1 0 330.453 3.264 40 0 EGABRO O=C1CC2(CN1Cc1cccnc1)CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000108533480 454802295 /nfs/dbraw/zinc/80/22/95/454802295.db2.gz YFRWLWPSVDKERO-GOSISDBHSA-N 1 0 339.483 3.252 40 0 EGABRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2F)C1 ZINC000127759052 454994647 /nfs/dbraw/zinc/99/46/47/454994647.db2.gz RRLTVFNIJTWRHW-CMPLNLGQSA-N 1 0 343.240 3.250 40 0 EGABRO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)C(=O)c2cccc(F)c2)[C@@H](C)C1 ZINC000248013812 455670289 /nfs/dbraw/zinc/67/02/89/455670289.db2.gz CPKYYEDSOCVBCR-MPGHIAIKSA-N 1 0 348.462 3.223 40 0 EGABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)c1 ZINC000257309964 455889048 /nfs/dbraw/zinc/88/90/48/455889048.db2.gz UDCINRZJUBHEIA-ZDUSSCGKSA-N 1 0 341.459 3.082 40 0 EGABRO CCCn1nccc1-c1cnc(C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257320352 455890300 /nfs/dbraw/zinc/89/03/00/455890300.db2.gz VWLCAUASZUQYPU-INIZCTEOSA-N 1 0 327.476 3.413 40 0 EGABRO CNc1cnc(C[C@H]2CCC[N@H+](Cc3ccnn3C(C)C)CC2)cn1 ZINC000257329581 455893174 /nfs/dbraw/zinc/89/31/74/455893174.db2.gz XKOSGBALKXNPSP-INIZCTEOSA-N 1 0 342.491 3.141 40 0 EGABRO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2sccc2C)ccn1 ZINC000257344120 455896799 /nfs/dbraw/zinc/89/67/99/455896799.db2.gz ZVULTNHMEKDYID-KRWDZBQOSA-N 1 0 329.469 3.425 40 0 EGABRO CCc1noc(C2CCC([NH2+]C[C@](C)(O)c3ccc(C)o3)CC2)n1 ZINC000195554657 455983727 /nfs/dbraw/zinc/98/37/27/455983727.db2.gz WHUIAXGROJJYNI-JRSKDTKFSA-N 1 0 333.432 3.057 40 0 EGABRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](CN2CCC(C)CC2)c2cccs2)C1 ZINC000195560739 455984917 /nfs/dbraw/zinc/98/49/17/455984917.db2.gz REECEDYQQWGGIK-SJORKVTESA-N 1 0 349.544 3.122 40 0 EGABRO CCCN(C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000272565520 455995834 /nfs/dbraw/zinc/99/58/34/455995834.db2.gz SPZDANOFECWWNF-AEFFLSMTSA-N 1 0 329.488 3.481 40 0 EGABRO Clc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]cn3)n2)c1 ZINC000225400394 456080088 /nfs/dbraw/zinc/08/00/88/456080088.db2.gz RACACMFJSDWKCO-INIZCTEOSA-N 1 0 343.818 3.027 40 0 biogenic,in-vitro EGABRO O=C(NCCn1ccnc1C1CC1)c1cc(Br)cs1 ZINC000225567541 456093702 /nfs/dbraw/zinc/09/37/02/456093702.db2.gz KQQWIARSFFXCRD-UHFFFAOYSA-N 1 0 340.246 3.015 40 0 EGABRO CCCC[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000225693121 456104300 /nfs/dbraw/zinc/10/43/00/456104300.db2.gz LBPGTGXYRCEKLJ-WBVHZDCISA-N 1 0 345.487 3.149 40 0 EGABRO Cc1ncc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(C2CC2)n1 ZINC000281390661 456220080 /nfs/dbraw/zinc/22/00/80/456220080.db2.gz OYZIRKAUNSZXPM-DJJJIMSYSA-N 1 0 338.455 3.084 40 0 EGABRO c1coc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c1 ZINC000306139427 456568031 /nfs/dbraw/zinc/56/80/31/456568031.db2.gz SWXQOCMNNZWVDR-SFHVURJKSA-N 1 0 341.436 3.380 40 0 EGABRO c1coc(C[N@@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306143743 456569666 /nfs/dbraw/zinc/56/96/66/456569666.db2.gz YLFNFIALNDUYOC-NRFANRHFSA-N 1 0 346.434 3.234 40 0 EGABRO COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000363521227 457355545 /nfs/dbraw/zinc/35/55/45/457355545.db2.gz YIUSFRMITVPAOT-IAOVAPTHSA-N 1 0 349.450 3.164 40 0 EGABRO c1cc2n(c1)C[C@@H](CCNc1ccccn1)C[N@@H+](Cc1ccccn1)C2 ZINC000585095520 459822576 /nfs/dbraw/zinc/82/25/76/459822576.db2.gz VCCAYZFOWPTPGM-SFHVURJKSA-N 1 0 347.466 3.412 40 0 EGABRO Cc1ccc(C)c(C[N@H+]2CCOC[C@]3(CC(=O)N(CC(C)C)C3)C2)c1 ZINC000585103946 459824424 /nfs/dbraw/zinc/82/44/24/459824424.db2.gz HKKWHYZTWIVVSY-OAQYLSRUSA-N 1 0 344.499 3.010 40 0 EGABRO Fc1ccc(-n2nccc2C[NH2+]CCCO[C@@H]2CCCCO2)cc1 ZINC000585141249 459829770 /nfs/dbraw/zinc/82/97/70/459829770.db2.gz SBYNTGKWAOOAPZ-GOSISDBHSA-N 1 0 333.407 3.034 40 0 EGABRO Cc1cnccc1CC[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000585141709 459830061 /nfs/dbraw/zinc/83/00/61/459830061.db2.gz ZDAFNPXQTXBIOD-UHFFFAOYSA-N 1 0 333.439 3.180 40 0 EGABRO CN(c1ccncn1)C1CC2(C1)CC[N@H+](Cc1cccc3[nH]ccc31)C2 ZINC000585261366 459831504 /nfs/dbraw/zinc/83/15/04/459831504.db2.gz SJZLTPKMLHDFHU-UHFFFAOYSA-N 1 0 347.466 3.449 40 0 EGABRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cc1 ZINC000585288533 459833435 /nfs/dbraw/zinc/83/34/35/459833435.db2.gz CZUTZKNXDDAAQJ-XUVXKRRUSA-N 1 0 327.424 3.146 40 0 EGABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000585290008 459833679 /nfs/dbraw/zinc/83/36/79/459833679.db2.gz PQTKXUPAFDSZPY-RCCFBDPRSA-N 1 0 339.863 3.017 40 0 EGABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000585289416 459833840 /nfs/dbraw/zinc/83/38/40/459833840.db2.gz JDSKWVXXCLHFEV-XUVXKRRUSA-N 1 0 347.405 3.458 40 0 EGABRO Cc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000129660715 533751866 /nfs/dbraw/zinc/75/18/66/533751866.db2.gz SWSJASRWIZTGPB-APWZRJJASA-N 1 0 343.496 3.193 40 0 EGABRO O=C1[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCCN1c1cccnc1 ZINC000129672819 534843209 /nfs/dbraw/zinc/84/32/09/534843209.db2.gz BFCXCFUYBGZLRK-GZBFAFLISA-N 1 0 341.377 3.288 40 0 EGABRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000237097931 536455576 /nfs/dbraw/zinc/45/55/76/536455576.db2.gz MAFSMOUWOIRPGL-ZDUSSCGKSA-N 1 0 349.887 3.216 40 0 EGABRO COc1ccccc1NC(=O)C1CC[NH+](CCOCC(C)C)CC1 ZINC000225721500 537080584 /nfs/dbraw/zinc/08/05/84/537080584.db2.gz MYUBHBVTXNWLNL-UHFFFAOYSA-N 1 0 334.460 3.018 40 0 EGABRO CCOc1cccc([C@@H]2C[C@H]2NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000684811099 550371852 /nfs/dbraw/zinc/37/18/52/550371852.db2.gz QZTGZPVDPYZMJQ-YTQUADARSA-N 1 0 345.487 3.113 40 0 EGABRO COc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000026781134 1291280621 /nfs/dbraw/zinc/28/06/21/1291280621.db2.gz SGTHNUUVQVXDIQ-CVEARBPZSA-N 1 0 335.488 3.464 40 0 EGABRO C[N@@H+]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000097617736 219042284 /nfs/dbraw/zinc/04/22/84/219042284.db2.gz ZTVOPJZMMXMXEG-UHFFFAOYSA-N 1 0 341.436 3.334 40 0 EGABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COCCOc2ccc(Cl)cc2)C1 ZINC000004279086 210159716 /nfs/dbraw/zinc/15/97/16/210159716.db2.gz BEXFKBNLQVOIOG-ZOBUZTSGSA-N 1 0 341.879 3.074 40 0 EGABRO [NH3+]Cc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000178034748 232064517 /nfs/dbraw/zinc/06/45/17/232064517.db2.gz GHOJGQDHPOYDDA-UHFFFAOYSA-N 1 0 346.377 3.107 40 0 EGABRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C)c(C)c2)c1 ZINC000067010554 215103885 /nfs/dbraw/zinc/10/38/85/215103885.db2.gz RYOQGYNVFNERRP-OAHLLOKOSA-N 1 0 332.469 3.062 40 0 EGABRO COc1cc(OC[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ccc1O ZINC000038607741 213216430 /nfs/dbraw/zinc/21/64/30/213216430.db2.gz DTXXMQRFTUCBHG-RHSMWYFYSA-N 1 0 331.387 3.312 40 0 EGABRO CC(C)[NH+](CCNC(=O)c1cc(F)cc(Br)c1)C(C)C ZINC000036392113 213095593 /nfs/dbraw/zinc/09/55/93/213095593.db2.gz QDPQTCHLTRDSRF-UHFFFAOYSA-N 1 0 345.256 3.437 40 0 EGABRO Cc1cccc(-c2cccc([C@H]3CCC[N@@H+](CC(=O)N(C)C)C3)n2)c1 ZINC000072349506 216160972 /nfs/dbraw/zinc/16/09/72/216160972.db2.gz WRGNNALOABKOQN-SFHVURJKSA-N 1 0 337.467 3.325 40 0 EGABRO COc1cc(C[NH2+]CCN(C)C)ccc1OCc1cccc(C)c1 ZINC000023251060 212365421 /nfs/dbraw/zinc/36/54/21/212365421.db2.gz AKAMJBCDWVWXKW-UHFFFAOYSA-N 1 0 328.456 3.234 40 0 EGABRO c1ccc(COc2ccccc2C[NH2+]CCCN2CCOCC2)cc1 ZINC000022074017 212275578 /nfs/dbraw/zinc/27/55/78/212275578.db2.gz RWDLQVRSOIZJJP-UHFFFAOYSA-N 1 0 340.467 3.078 40 0 EGABRO Cc1cccc2nc(Sc3nnc([C@@H]4CCC[NH2+]C4)n3C)sc21 ZINC000241961278 243007658 /nfs/dbraw/zinc/00/76/58/243007658.db2.gz UQYMLIHDSYZPBV-LLVKDONJSA-N 1 0 345.497 3.351 40 0 EGABRO Nc1cc(CC[C@H]2CN(Cc3ccc4ccccc4n3)CCO2)cc[nH+]1 ZINC000257217163 244170101 /nfs/dbraw/zinc/17/01/01/244170101.db2.gz CXUQOBDVIYANBI-IBGZPJMESA-N 1 0 348.450 3.046 40 0 EGABRO COc1ccc(CNC(=O)c2ncccc2-c2cccc(C[NH3+])c2)cc1 ZINC000257226133 244202166 /nfs/dbraw/zinc/20/21/66/244202166.db2.gz FJGMMOMEQZHPSZ-UHFFFAOYSA-N 1 0 347.418 3.146 40 0 EGABRO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257234509 244223224 /nfs/dbraw/zinc/22/32/24/244223224.db2.gz GTVFQBQCPVFPHP-GOSISDBHSA-N 1 0 333.439 3.175 40 0 EGABRO COc1ccccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@@H+]2C ZINC000257271190 244375518 /nfs/dbraw/zinc/37/55/18/244375518.db2.gz MXFFDALMNPUDTJ-DEYWJSPQSA-N 1 0 328.456 3.173 40 0 EGABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCC[NH+]1CCCCC1 ZINC000020039200 212096161 /nfs/dbraw/zinc/09/61/61/212096161.db2.gz VFTHENCZDRSMKI-GOSISDBHSA-N 1 0 332.488 3.453 40 0 EGABRO COc1ccc2[nH]cc(C(=O)N3CCC[C@]4(C)[NH2+]CCCC[C@H]34)c2c1 ZINC000257301346 244464034 /nfs/dbraw/zinc/46/40/34/244464034.db2.gz RYBNMEGWLVMJSC-ICSRJNTNSA-N 1 0 341.455 3.313 40 0 EGABRO Cc1nn(C)cc1NC(=O)CC1CC[NH+](CCc2ccccc2)CC1 ZINC000019748837 212062281 /nfs/dbraw/zinc/06/22/81/212062281.db2.gz YYJKJWZCLXDAKJ-UHFFFAOYSA-N 1 0 340.471 3.012 40 0 EGABRO CC[NH+]1CCC(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000019657579 212053965 /nfs/dbraw/zinc/05/39/65/212053965.db2.gz XDYIBBGQVWTTDF-UHFFFAOYSA-N 1 0 325.456 3.175 40 0 EGABRO COc1ccc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1OC ZINC000019359429 212021090 /nfs/dbraw/zinc/02/10/90/212021090.db2.gz QEGUEZZXBCYEKP-CGTJXYLNSA-N 1 0 330.472 3.010 40 0 EGABRO O=C(CCC1CCCC1)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019292252 212012190 /nfs/dbraw/zinc/01/21/90/212012190.db2.gz GAUSDXBAYADSNI-GOSISDBHSA-N 1 0 342.487 3.146 40 0 EGABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2nn(C)c3ncccc23)C1 ZINC000019289503 212011045 /nfs/dbraw/zinc/01/10/45/212011045.db2.gz YNWXYVMAPVIANK-INIZCTEOSA-N 1 0 336.439 3.357 40 0 EGABRO COc1ccc(OC(C)(C)C(=O)NC(C)(C)C[NH+]2CCCCC2)cc1 ZINC000019084910 212000364 /nfs/dbraw/zinc/00/03/64/212000364.db2.gz SFXUZGOJOIKEBT-UHFFFAOYSA-N 1 0 348.487 3.233 40 0 EGABRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)NC1CCOCC1 ZINC000079036170 217179050 /nfs/dbraw/zinc/17/90/50/217179050.db2.gz RFHPWLWTBPXFJG-UHFFFAOYSA-N 1 0 345.487 3.041 40 0 EGABRO Cc1ccc([C@]2(O)CCC[C@@H]3C[N@H+](Cc4cnc(C)nc4)C[C@@H]32)cc1 ZINC000012186321 211312919 /nfs/dbraw/zinc/31/29/19/211312919.db2.gz LOEHXFLWUKAUCB-HLAWJBBLSA-N 1 0 337.467 3.213 40 0 EGABRO Cc1cc2nc([C@@H]3CCCN3C(=O)C[NH+]3CCCCC3)[nH]c2cc1C ZINC000012144802 211304872 /nfs/dbraw/zinc/30/48/72/211304872.db2.gz MHIZWVJHCCXUMM-SFHVURJKSA-N 1 0 340.471 3.329 40 0 EGABRO CN(C)C(=O)COc1ccccc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000093335256 218215436 /nfs/dbraw/zinc/21/54/36/218215436.db2.gz APIUTRYYNGYGRL-INIZCTEOSA-N 1 0 328.412 3.084 40 0 EGABRO C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@H]1CCOC1 ZINC000093840203 218252806 /nfs/dbraw/zinc/25/28/06/218252806.db2.gz AJMFJUWBZORUFA-GFCCVEGCSA-N 1 0 338.245 3.193 40 0 EGABRO C[C@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnccn1 ZINC000095422511 218364989 /nfs/dbraw/zinc/36/49/89/218364989.db2.gz KNNJMFUADCRUNG-JSGCOSHPSA-N 1 0 336.361 3.425 40 0 EGABRO COC[C@H]1CCC2(CCN(C(=O)c3cccc(Cl)c3)CC2)[N@@H+]1C ZINC000096206516 218679938 /nfs/dbraw/zinc/67/99/38/218679938.db2.gz NTQMBBCRFBFMSL-MRXNPFEDSA-N 1 0 336.863 3.055 40 0 EGABRO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)C1)c1ccc(Br)s1 ZINC000096430902 218805085 /nfs/dbraw/zinc/80/50/85/218805085.db2.gz PISPJYXFQMROOO-GHMZBOCLSA-N 1 0 345.306 3.024 40 0 EGABRO CC[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc21 ZINC000000156023 258003395 /nfs/dbraw/zinc/00/33/95/258003395.db2.gz LJOQGZACKSYWCH-TUGJPZLJSA-N 1 0 326.440 3.397 40 0 in-vitro EGABRO CC(=O)N1CCCc2cc([C@@H](O)C[N@@H+](C)Cc3ccccc3)ccc21 ZINC000036741196 132393090 /nfs/dbraw/zinc/39/30/90/132393090.db2.gz BYWIDFVDPXZISY-NRFANRHFSA-N 1 0 338.451 3.151 40 0 EGABRO CO[C@H]1CC2(CC[NH+](Cc3cnn(C)c3)CC2)c2ccc(C)cc21 ZINC000096079424 274078835 /nfs/dbraw/zinc/07/88/35/274078835.db2.gz UKWZIAZPPGWCDA-IBGZPJMESA-N 1 0 325.456 3.354 40 0 EGABRO Cc1csc(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000043240356 275128517 /nfs/dbraw/zinc/12/85/17/275128517.db2.gz QQFQMFWKQNFBSJ-ZDUSSCGKSA-N 1 0 330.457 3.020 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)[C@@H]1C=CCCC1 ZINC000001710998 276099605 /nfs/dbraw/zinc/09/96/05/276099605.db2.gz HECLTPBVEVCPQT-QUCCMNQESA-N 1 0 331.456 3.116 40 0 EGABRO CC(=O)Nc1cc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)ccc1Cl ZINC000097376446 323215395 /nfs/dbraw/zinc/21/53/95/323215395.db2.gz BWMCTTMUEOFVQV-MRXNPFEDSA-N 1 0 335.835 3.111 40 0 EGABRO C[C@@H](C[C@H]1CCCO1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163027734 323223781 /nfs/dbraw/zinc/22/37/81/323223781.db2.gz SRSAEHZHEJPBSE-PKOBYXMFSA-N 1 0 344.499 3.363 40 0 EGABRO COc1cccc([C@@H]2[C@H](NC(=O)c3cc[nH]c3C)CC[N@@H+]2C2CC2)c1 ZINC000183255333 455262382 /nfs/dbraw/zinc/26/23/82/455262382.db2.gz ANAFSCMZWPJOLC-RTBURBONSA-N 1 0 339.439 3.040 40 0 EGABRO Cc1[nH]nc2ncc(NC(=O)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000240278327 455263733 /nfs/dbraw/zinc/26/37/33/455263733.db2.gz DQMJJHVSTCCIJS-INIZCTEOSA-N 1 0 349.438 3.117 40 0 EGABRO CCn1c(C)[n+](C[C@H](O)COc2cccc(C)c2)c2ccccc21 ZINC000000316213 452562829 /nfs/dbraw/zinc/56/28/29/452562829.db2.gz GWOFUMHAFFWIFQ-KRWDZBQOSA-N 1 0 325.432 3.005 40 0 EGABRO CCC[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccc(OC)c(OC)c1)C2 ZINC000000488024 452606712 /nfs/dbraw/zinc/60/67/12/452606712.db2.gz IPNSZFJWQTVXFT-XYPWUTKMSA-N 1 0 333.428 3.266 40 0 EGABRO O=C(SCC[NH+]1CCCC1)[C@](O)(c1ccccc1)C1CCCC1 ZINC000001710796 452675242 /nfs/dbraw/zinc/67/52/42/452675242.db2.gz LFSDSEBODSFFKT-IBGZPJMESA-N 1 0 333.497 3.420 40 0 EGABRO CCc1c(C)nc2cc(-c3cccs3)nn2c1N1CC[NH+](C)CC1 ZINC000004980818 452829344 /nfs/dbraw/zinc/82/93/44/452829344.db2.gz JBINJHJSAPPMQK-UHFFFAOYSA-N 1 0 341.484 3.080 40 0 EGABRO CC[NH+](CC)C[C@@H](Cc1ccccc1)OC(=O)c1ccc(N)cc1 ZINC000005839964 452905775 /nfs/dbraw/zinc/90/57/75/452905775.db2.gz BKBCTMDYWMKHSI-LJQANCHMSA-N 1 0 326.440 3.379 40 0 EGABRO CCCC/C=C\[C@@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000005954641 452912320 /nfs/dbraw/zinc/91/23/20/452912320.db2.gz JKPUZMZDECKYBD-AASOGXKLSA-N 1 0 343.467 3.258 40 0 EGABRO Nc1cc(N)[nH+]c(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000007098063 453031828 /nfs/dbraw/zinc/03/18/28/453031828.db2.gz BPFAEVVITRLSBY-UHFFFAOYSA-N 1 0 348.431 3.187 40 0 EGABRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000007612569 453094460 /nfs/dbraw/zinc/09/44/60/453094460.db2.gz UMRPNHODZCZVIH-UHFFFAOYSA-N 1 0 338.517 3.354 40 0 EGABRO S=C(NCc1cccs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000007982962 453144724 /nfs/dbraw/zinc/14/47/24/453144724.db2.gz HSEROZWMTZIODW-UHFFFAOYSA-N 1 0 345.537 3.377 40 0 EGABRO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OCC ZINC000008253803 453181799 /nfs/dbraw/zinc/18/17/99/453181799.db2.gz TXWXKXGPKMXZEI-UHFFFAOYSA-N 1 0 346.265 3.107 40 0 EGABRO COc1cccc(C[NH2+]C[C@@H](C)O)c1OCc1ccccc1Cl ZINC000008535104 453213360 /nfs/dbraw/zinc/21/33/60/453213360.db2.gz VQPGLCRTSCHJNK-CYBMUJFWSA-N 1 0 335.831 3.398 40 0 EGABRO Cc1c(C(=O)NCC[NH+](C(C)C)C(C)C)cnn1-c1cccc(C)c1 ZINC000013009052 453438722 /nfs/dbraw/zinc/43/87/22/453438722.db2.gz AQWYFIRMHJUQKE-UHFFFAOYSA-N 1 0 342.487 3.338 40 0 EGABRO OCC[N@H+](Cc1ccc(OC2CCCC2)cc1)Cc1cccnc1 ZINC000013569677 453471649 /nfs/dbraw/zinc/47/16/49/453471649.db2.gz WEIHJJBNMDAMSI-UHFFFAOYSA-N 1 0 326.440 3.398 40 0 EGABRO O=C(CSCc1ccccc1Cl)NCCC[NH+]1CCCC1 ZINC000013675263 453480573 /nfs/dbraw/zinc/48/05/73/453480573.db2.gz QXLFUNQKHMSWTA-UHFFFAOYSA-N 1 0 326.893 3.175 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC(O)(c2ccccc2C)CC1 ZINC000013996268 453495682 /nfs/dbraw/zinc/49/56/82/453495682.db2.gz PXKFGCBOVWLNJR-SFHVURJKSA-N 1 0 344.499 3.070 40 0 EGABRO O=C(CC[NH+]1CCCCC1)COc1ccc(Br)cc1 ZINC000016428728 453605879 /nfs/dbraw/zinc/60/58/79/453605879.db2.gz HDQVFCQOLWSTKQ-UHFFFAOYSA-N 1 0 326.234 3.273 40 0 EGABRO O=C(NCCOc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000017850320 453639573 /nfs/dbraw/zinc/63/95/73/453639573.db2.gz IHAKFQFBTCKHJC-UHFFFAOYSA-N 1 0 338.451 3.481 40 0 EGABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019020549 453653287 /nfs/dbraw/zinc/65/32/87/453653287.db2.gz YJUSVJJBPYRCTR-FQEVSTJZSA-N 1 0 341.430 3.310 40 0 EGABRO COc1ccc(C2(C[NH+]3CCC(NC(C)=O)CC3)CCCC2)cc1 ZINC000019021224 453653665 /nfs/dbraw/zinc/65/36/65/453653665.db2.gz XFUANMIMDRQHQZ-UHFFFAOYSA-N 1 0 330.472 3.108 40 0 EGABRO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2noc(-c3cnccn3)n2)C1 ZINC000019238635 453655124 /nfs/dbraw/zinc/65/51/24/453655124.db2.gz MYHDALXXXJETIC-CYBMUJFWSA-N 1 0 341.440 3.276 40 0 EGABRO Clc1ccc(C2(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)CC2)cc1 ZINC000019332772 453656724 /nfs/dbraw/zinc/65/67/24/453656724.db2.gz PFUVHAKIZNGKJY-KRWDZBQOSA-N 1 0 348.918 3.416 40 0 EGABRO COc1cccc(N2CC[NH+](C[C@H](O)c3cc(C)sc3C)CC2)c1 ZINC000019567905 453657606 /nfs/dbraw/zinc/65/76/06/453657606.db2.gz ZGMKPGYBWBRKBX-IBGZPJMESA-N 1 0 346.496 3.229 40 0 EGABRO CC[N@H+](C)[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C2(C1)CCCCC2 ZINC000019704922 453658402 /nfs/dbraw/zinc/65/84/02/453658402.db2.gz XBTDVPSMJXZQFD-SFHVURJKSA-N 1 0 344.499 3.493 40 0 EGABRO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](CC(C)C)C2CC2)c1 ZINC000027110467 453810667 /nfs/dbraw/zinc/81/06/67/453810667.db2.gz YNSXITYDSVONQS-CQSZACIVSA-N 1 0 334.460 3.001 40 0 EGABRO COc1ccccc1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000031662748 453851256 /nfs/dbraw/zinc/85/12/56/453851256.db2.gz AZAKHXYGBROILO-UHFFFAOYSA-N 1 0 339.439 3.265 40 0 EGABRO CC[C@@H](CNC(=O)c1ccccc1OC)[N@@H+]1CCc2ccccc2C1 ZINC000032445807 453873539 /nfs/dbraw/zinc/87/35/39/453873539.db2.gz BMVUFHVDSSIFHR-SFHVURJKSA-N 1 0 338.451 3.262 40 0 EGABRO C[C@@H](O)C[NH2+]CCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000038240398 453940442 /nfs/dbraw/zinc/94/04/42/453940442.db2.gz AHCKIDANPCIMFN-LLVKDONJSA-N 1 0 343.254 3.313 40 0 EGABRO C[C@H](c1ccccc1)[N@@H+](CC(=O)NC1CCOCC1)CC1CCC1 ZINC000077372236 454098245 /nfs/dbraw/zinc/09/82/45/454098245.db2.gz FLZBDCNITGVPSB-MRXNPFEDSA-N 1 0 330.472 3.145 40 0 EGABRO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1cccc2cc[nH]c21 ZINC000089433221 454148822 /nfs/dbraw/zinc/14/88/22/454148822.db2.gz MSBXWYCEBXVZLV-UHFFFAOYSA-N 1 0 337.427 3.103 40 0 EGABRO Cc1ccccc1OCCC[N@@H+](C)C[C@@H](O)COc1ccccc1C ZINC000059384299 454258324 /nfs/dbraw/zinc/25/83/24/454258324.db2.gz IPHIOKCINSCLRD-LJQANCHMSA-N 1 0 343.467 3.444 40 0 EGABRO COc1ccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4ccc(C)o4)C3)C2)cc1 ZINC000096047621 454269625 /nfs/dbraw/zinc/26/96/25/454269625.db2.gz RYDSDZICONIUEZ-FXAWDEMLSA-N 1 0 342.439 3.442 40 0 EGABRO Fc1cccnc1N[C@@H]1CO[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096047637 454269688 /nfs/dbraw/zinc/26/96/88/454269688.db2.gz OSNRCXSBVAZSAT-YOEHRIQHSA-N 1 0 333.432 3.128 40 0 EGABRO Cc1occc1C(=O)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC000096046516 454270147 /nfs/dbraw/zinc/27/01/47/454270147.db2.gz WZAQQILBESATOD-UHFFFAOYSA-N 1 0 339.439 3.111 40 0 EGABRO O=C(c1cscn1)N1CCC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096046538 454270291 /nfs/dbraw/zinc/27/02/91/454270291.db2.gz ZVLWNLZPXGGLDF-UHFFFAOYSA-N 1 0 347.509 3.333 40 0 EGABRO O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](Cc1ccncc1)C2 ZINC000096048751 454271197 /nfs/dbraw/zinc/27/11/97/454271197.db2.gz YFJNZGRRUHFXTM-GOSISDBHSA-N 1 0 327.453 3.162 40 0 EGABRO CN(C)C(=O)CC1CCC2(CC1)CC[NH+](Cc1nccs1)CC2 ZINC000096049270 454271447 /nfs/dbraw/zinc/27/14/47/454271447.db2.gz BMKLKCOFYZBOBA-UHFFFAOYSA-N 1 0 335.517 3.394 40 0 EGABRO Cn1ccc(C(=O)N[C@H]2CCC23CC[NH+](Cc2ccsc2)CC3)c1 ZINC000096051691 454272141 /nfs/dbraw/zinc/27/21/41/454272141.db2.gz ZGSQRHMBBDNECY-KRWDZBQOSA-N 1 0 343.496 3.261 40 0 EGABRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccncc4)C3)C2=O)c1 ZINC000096050579 454272774 /nfs/dbraw/zinc/27/27/74/454272774.db2.gz SQLIVIXTUBQYTF-NRFANRHFSA-N 1 0 335.451 3.015 40 0 EGABRO Cn1ccc(C(=O)N[C@H]2CCC23CC[NH+](Cc2cccs2)CC3)c1 ZINC000096051687 454273060 /nfs/dbraw/zinc/27/30/60/454273060.db2.gz INNMIXMGAACUDH-KRWDZBQOSA-N 1 0 343.496 3.261 40 0 EGABRO Fc1cccc(O[C@H]2C[C@H]3CN(Cc4ccsc4)CC[N@@H+]3C2)c1 ZINC000096055143 454274778 /nfs/dbraw/zinc/27/47/78/454274778.db2.gz AYIWWODBHTWUJB-WMZOPIPTSA-N 1 0 332.444 3.225 40 0 EGABRO O=C(C1CC1)N1CCC2(CC1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096063002 454278462 /nfs/dbraw/zinc/27/84/62/454278462.db2.gz BYFBHSHQRWPJBJ-UHFFFAOYSA-N 1 0 330.447 3.440 40 0 EGABRO COc1ccc(CN2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC000096061981 454278785 /nfs/dbraw/zinc/27/87/85/454278785.db2.gz WNXYBGLQWNOUCN-INIZCTEOSA-N 1 0 342.487 3.309 40 0 EGABRO CCOC[C@@H]1COCCC12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000096106418 454284286 /nfs/dbraw/zinc/28/42/86/454284286.db2.gz HYIWHGIPJOKTOR-GOSISDBHSA-N 1 0 333.472 3.350 40 0 EGABRO CCn1cncc1C[N@@H+]1C[C@H]2CCC[C@](O)(c3ccc(C)cc3)[C@@H]2C1 ZINC000072340454 454294478 /nfs/dbraw/zinc/29/44/78/454294478.db2.gz NXAYDVCQUNHBFR-UIFIKXQLSA-N 1 0 339.483 3.331 40 0 EGABRO c1csc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4ccncc4)CC[C@@H]32)c1 ZINC000096186777 454299107 /nfs/dbraw/zinc/29/91/07/454299107.db2.gz PJCISBWYHOHDJT-NEWSRXKRSA-N 1 0 344.480 3.482 40 0 EGABRO CCC(CC)C[NH+]1CCC2(CN(c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000096202990 454302961 /nfs/dbraw/zinc/30/29/61/454302961.db2.gz XWNQAXSLPYFIIT-UHFFFAOYSA-N 1 0 344.455 3.280 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)s1 ZINC000096199910 454303000 /nfs/dbraw/zinc/30/30/00/454303000.db2.gz CVBQGGBFGYTDCM-QGZVFWFLSA-N 1 0 341.480 3.090 40 0 EGABRO O=C(/C=C/c1cccs1)N1CC[C@]2(C1)C[C@H]([NH+]1CCCC1)CCO2 ZINC000096207919 454303854 /nfs/dbraw/zinc/30/38/54/454303854.db2.gz QQXYCSFQUHWDAW-FOSBAXRVSA-N 1 0 346.496 3.007 40 0 EGABRO CCOC[C@H]1CCC2(CCN(C(=O)/C=C/c3cccs3)CC2)[N@@H+]1C ZINC000096207882 454304185 /nfs/dbraw/zinc/30/41/85/454304185.db2.gz CXGDFZIGSPOVFP-FYCOFBDGSA-N 1 0 348.512 3.253 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CC4CC4)C3)C2)n1 ZINC000096216252 454305200 /nfs/dbraw/zinc/30/52/00/454305200.db2.gz KWDZFEVSJKNJRJ-FQEVSTJZSA-N 1 0 327.472 3.005 40 0 EGABRO Cc1nc(CN2C(=O)CCC23CC[NH+](Cc2ccoc2)CC3)cs1 ZINC000096228180 454308955 /nfs/dbraw/zinc/30/89/55/454308955.db2.gz LOPSCSIIXNVLHQ-UHFFFAOYSA-N 1 0 345.468 3.202 40 0 EGABRO Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)o1 ZINC000096251707 454311235 /nfs/dbraw/zinc/31/12/35/454311235.db2.gz VFASIZKVGMGESL-ACRUOGEOSA-N 1 0 338.451 3.191 40 0 EGABRO CC(C)CC[N@@H+]1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 ZINC000096260447 454314721 /nfs/dbraw/zinc/31/47/21/454314721.db2.gz XAEVDHHTUDXLFR-UHFFFAOYSA-N 1 0 346.519 3.050 40 0 EGABRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(C2CC2)nc2ccccc21 ZINC000096402291 454321290 /nfs/dbraw/zinc/32/12/90/454321290.db2.gz BQEBUXWXZHZFFA-UHFFFAOYSA-N 1 0 335.451 3.469 40 0 EGABRO CCc1ocnc1C(=O)OC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000096420390 454335609 /nfs/dbraw/zinc/33/56/09/454335609.db2.gz CKKHVRQLKVUALX-RDTXWAMCSA-N 1 0 344.411 3.095 40 0 EGABRO CC(C)[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000096436347 454347250 /nfs/dbraw/zinc/34/72/50/454347250.db2.gz USFBGUURQAIFEA-KRWDZBQOSA-N 1 0 329.444 3.163 40 0 EGABRO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000096441729 454350923 /nfs/dbraw/zinc/35/09/23/454350923.db2.gz CTDZZXLQJBZHCI-PMACEKPBSA-N 1 0 338.451 3.134 40 0 EGABRO C[C@@H]1C[NH+](CCC2CCN(C(=O)/C=C/c3ccco3)CC2)C[C@@H](C)O1 ZINC000096456019 454358596 /nfs/dbraw/zinc/35/85/96/454358596.db2.gz GTMICELXFRGYQZ-SDKBWNRFSA-N 1 0 346.471 3.031 40 0 EGABRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C1(C)C ZINC000096493355 454369469 /nfs/dbraw/zinc/36/94/69/454369469.db2.gz LBASTJWENLIVCA-QZTJIDSGSA-N 1 0 348.462 3.224 40 0 EGABRO COC1CCC([NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000097373010 454434535 /nfs/dbraw/zinc/43/45/35/454434535.db2.gz CTLKGMGJZLWLNM-QDIHITRGSA-N 1 0 326.481 3.370 40 0 EGABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3ccncc3)C2)o1 ZINC000049170043 454537017 /nfs/dbraw/zinc/53/70/17/454537017.db2.gz KMIVOUZHWJICEI-HNNXBMFYSA-N 1 0 336.395 3.130 40 0 biogenic,in-vitro EGABRO C[N@H+](Cc1cccc2cccnc21)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097166 454686980 /nfs/dbraw/zinc/68/69/80/454686980.db2.gz ZGBSZRDOCKVGBN-SJORKVTESA-N 1 0 332.469 3.022 40 0 EGABRO CN(Cc1cn2cccnc2n1)Cc1ccc(Br)s1 ZINC000124194601 454704930 /nfs/dbraw/zinc/70/49/30/454704930.db2.gz DHAUUANWFMTUSS-UHFFFAOYSA-N 1 0 337.246 3.185 40 0 EGABRO Cc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)o1 ZINC000107746888 454772370 /nfs/dbraw/zinc/77/23/70/454772370.db2.gz JJGSEOORIJZVGU-LPHOPBHVSA-N 1 0 330.403 3.065 40 0 EGABRO CCc1nc(C)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C)cn2)s1 ZINC000167093068 454918562 /nfs/dbraw/zinc/91/85/62/454918562.db2.gz UAFBQKAKCYKKMB-GFCCVEGCSA-N 1 0 332.473 3.397 40 0 EGABRO O=C(Nc1cccc(N2CCCC2)c1)N1CCC([NH+]2CC=CC2)CC1 ZINC000155822373 455049592 /nfs/dbraw/zinc/04/95/92/455049592.db2.gz CTISQOXHBGGTCT-UHFFFAOYSA-N 1 0 340.471 3.155 40 0 EGABRO Cc1occc1C(=O)NC1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182209714 455461771 /nfs/dbraw/zinc/46/17/71/455461771.db2.gz KTEVYWZOCMLYEL-UHFFFAOYSA-N 1 0 340.423 3.055 40 0 EGABRO O=C1[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCCN1c1cccnc1 ZINC000249170916 455746135 /nfs/dbraw/zinc/74/61/35/455746135.db2.gz BFCXCFUYBGZLRK-VNHYZAJKSA-N 1 0 341.377 3.288 40 0 EGABRO O[C@H](C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1)c1ccccc1 ZINC000253420758 455844258 /nfs/dbraw/zinc/84/42/58/455844258.db2.gz LMNXNOYCKNMGJU-UONOGXRCSA-N 1 0 339.361 3.342 40 0 EGABRO COc1ccc(C[N@@H+]2CCCN(C(=O)C(C)(C)C(F)F)CC2)cc1 ZINC000253421193 455844419 /nfs/dbraw/zinc/84/44/19/455844419.db2.gz RMAOLTBTPHWVIS-UHFFFAOYSA-N 1 0 340.414 3.021 40 0 EGABRO COc1cc2c(NCc3nnc4n3CCCCC4)cc[nH+]c2cc1F ZINC000253430256 455847181 /nfs/dbraw/zinc/84/71/81/455847181.db2.gz KGNRJSMUVGJLOE-UHFFFAOYSA-N 1 0 341.390 3.313 40 0 EGABRO CNc1ncccc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cnccn1 ZINC000257293701 455885177 /nfs/dbraw/zinc/88/51/77/455885177.db2.gz QQUBGWKCKYRCQP-GPMSIDNRSA-N 1 0 337.471 3.004 40 0 EGABRO Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000195566226 455986577 /nfs/dbraw/zinc/98/65/77/455986577.db2.gz LYZKEFOBWGMYIT-NVXWUHKLSA-N 1 0 333.863 3.328 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(OC)c1OC ZINC000225047320 456071709 /nfs/dbraw/zinc/07/17/09/456071709.db2.gz CSKHCNZNNMQZRL-OAHLLOKOSA-N 1 0 334.460 3.088 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(OC)cc1 ZINC000225316619 456077007 /nfs/dbraw/zinc/07/70/07/456077007.db2.gz OHJQEQWQYFZHEB-GOSISDBHSA-N 1 0 332.488 3.399 40 0 EGABRO Cc1ccccc1NC(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225576472 456094153 /nfs/dbraw/zinc/09/41/53/456094153.db2.gz JDICOJFPDZZHPP-MRXNPFEDSA-N 1 0 333.501 3.334 40 0 EGABRO CC(C)(C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1)N1CCOCC1 ZINC000225577838 456095232 /nfs/dbraw/zinc/09/52/32/456095232.db2.gz LBIYZAPESWPVSI-LJQANCHMSA-N 1 0 343.446 3.011 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(F)c(C)c1 ZINC000225607813 456097647 /nfs/dbraw/zinc/09/76/47/456097647.db2.gz YIAROUQGBYFFDE-OAHLLOKOSA-N 1 0 342.480 3.067 40 0 EGABRO Cn1cncc1C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000188936037 456176714 /nfs/dbraw/zinc/17/67/14/456176714.db2.gz BLZOSYDBRPLNQZ-LBPRGKRZSA-N 1 0 325.243 3.095 40 0 EGABRO c1ccc(Nc2ncc3c(n2)[C@]2(CC[N@@H+](CC4CC4)C2)COC3)cc1 ZINC000306138327 456567244 /nfs/dbraw/zinc/56/72/44/456567244.db2.gz RUYRGWSEYQBUAL-FQEVSTJZSA-N 1 0 336.439 3.104 40 0 EGABRO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](CC4CC4)C2)OC3)cc1 ZINC000306141225 456568042 /nfs/dbraw/zinc/56/80/42/456568042.db2.gz VOTDOTPACBTNJX-LJQANCHMSA-N 1 0 327.403 3.074 40 0 EGABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cccc3cccnc32)cc1 ZINC000299850468 456782012 /nfs/dbraw/zinc/78/20/12/456782012.db2.gz ICKYXYVQLFSOJX-IBGZPJMESA-N 1 0 347.418 3.030 40 0 EGABRO C[C@@H]1C[C@@H]([N@H+](C)Cc2cc[nH]c(=O)c2)CCN1Cc1ccccc1 ZINC000585141363 459829923 /nfs/dbraw/zinc/82/99/23/459829923.db2.gz UNSFVKAQYZODTA-APWZRJJASA-N 1 0 325.456 3.272 40 0 EGABRO Cc1ccccc1OC[C@@]1(O)COCC[N@@H+](C2CCC(C)(C)CC2)C1 ZINC000585287800 459833395 /nfs/dbraw/zinc/83/33/95/459833395.db2.gz SCVJYECPEHKRKU-NRFANRHFSA-N 1 0 347.499 3.406 40 0 EGABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1 ZINC000223210581 535833230 /nfs/dbraw/zinc/83/32/30/535833230.db2.gz VDAPQANHHFTWQF-CVEARBPZSA-N 1 0 346.525 3.067 40 0 EGABRO C[NH+]1CCN(c2ccccc2NC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000057501007 536424844 /nfs/dbraw/zinc/42/48/44/536424844.db2.gz YHGRCHKOFQLACK-UHFFFAOYSA-N 1 0 334.423 3.172 40 0 EGABRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Oc3ccccc3)o2)cn1 ZINC000673990272 548666826 /nfs/dbraw/zinc/66/68/26/548666826.db2.gz WYRULIGLASZULT-UHFFFAOYSA-N 1 0 340.383 3.082 40 0 EGABRO CCCC[NH+](CCCC)C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000006322973 1291043283 /nfs/dbraw/zinc/04/32/83/1291043283.db2.gz HCZAKXDUDKFKNB-GOSISDBHSA-N 1 0 336.476 3.287 40 0 EGABRO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc3ccccc3o2)ncn1 ZINC000109070006 1293087358 /nfs/dbraw/zinc/08/73/58/1293087358.db2.gz GOZPNTQJXAEKTE-OAHLLOKOSA-N 1 0 337.427 3.023 40 0 EGABRO Fc1ccc2nc(NCC3([NH+]4CCCCC4)CCOCC3)oc2c1 ZINC000892604752 1305465341 /nfs/dbraw/zinc/46/53/41/1305465341.db2.gz HZMAABGNLOHMFC-UHFFFAOYSA-N 1 0 333.407 3.414 40 0 EGABRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Cc2noc3ccccc23)C1 ZINC000053304041 214176263 /nfs/dbraw/zinc/17/62/63/214176263.db2.gz WJVMMRNYHLBHFF-HUUCEWRRSA-N 1 0 343.471 3.243 40 0 EGABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000100750280 219106201 /nfs/dbraw/zinc/10/62/01/219106201.db2.gz GXMXIGPYLUTSHV-KHYOSLBOSA-N 1 0 341.430 3.457 40 0 EGABRO CCOc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccc(OC)cc3)cc2c1 ZINC000004160546 210135276 /nfs/dbraw/zinc/13/52/76/210135276.db2.gz SBFYGJUCTHCILS-UHFFFAOYSA-N 1 0 338.407 3.225 40 0 EGABRO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]Cc4ccccn4)[C@H]3C=C12 ZINC000004000030 210098467 /nfs/dbraw/zinc/09/84/67/210098467.db2.gz OGEHVGRPFFETIF-MALKTNSBSA-N 1 0 340.467 3.485 40 0 biogenic EGABRO C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1cc(F)c(Cl)cc1Cl ZINC000181646097 234267882 /nfs/dbraw/zinc/26/78/82/234267882.db2.gz KAXUHSNNXJYEDW-ZJUUUORDSA-N 1 0 332.206 3.041 40 0 EGABRO CC(C)c1ccc(OCCOC[C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000040373393 213293101 /nfs/dbraw/zinc/29/31/01/213293101.db2.gz BOHSPJRSQSIMAL-MJGOQNOKSA-N 1 0 335.488 3.298 40 0 EGABRO Fc1cnc(N2CCC[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)nc1 ZINC000096047178 283033131 /nfs/dbraw/zinc/03/31/31/283033131.db2.gz SDZFJYWQEJANQT-KRWDZBQOSA-N 1 0 332.448 3.170 40 0 EGABRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccccc2OC)o1 ZINC000072265331 216087224 /nfs/dbraw/zinc/08/72/24/216087224.db2.gz HQMWOVNGXYORCC-UHFFFAOYSA-N 1 0 332.400 3.152 40 0 EGABRO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1Br ZINC000072324570 216151193 /nfs/dbraw/zinc/15/11/93/216151193.db2.gz FHEYWCHCHCCOSJ-GXTWGEPZSA-N 1 0 339.277 3.126 40 0 EGABRO c1cn(-c2cncc(C3CC[NH+](CCCc4ccccc4)CC3)n2)cn1 ZINC000072355478 216163896 /nfs/dbraw/zinc/16/38/96/216163896.db2.gz LTURZSSNMCXIND-UHFFFAOYSA-N 1 0 347.466 3.475 40 0 EGABRO C[C@@H](CCO)[NH+]1CCC(c2csc(Nc3ccccn3)n2)CC1 ZINC000072363701 216169846 /nfs/dbraw/zinc/16/98/46/216169846.db2.gz FVZIQJLOXATNPK-ZDUSSCGKSA-N 1 0 332.473 3.232 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389906 216190078 /nfs/dbraw/zinc/19/00/78/216190078.db2.gz CNGHYAQGIRIKFZ-MRXNPFEDSA-N 1 0 336.395 3.130 40 0 EGABRO CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccs2)CCC[NH2+]C1 ZINC000072391918 216190929 /nfs/dbraw/zinc/19/09/29/216190929.db2.gz WYKPLNNELMNCRV-IBGZPJMESA-N 1 0 328.481 3.416 40 0 EGABRO C[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000072392330 216191067 /nfs/dbraw/zinc/19/10/67/216191067.db2.gz BHLAEYKCMVHKLF-ZDUSSCGKSA-N 1 0 325.391 3.305 40 0 EGABRO CCOC(=O)[C@@]1(Cc2cc(-c3cccc(C)c3)no2)CCC[NH2+]C1 ZINC000072394516 216192758 /nfs/dbraw/zinc/19/27/58/216192758.db2.gz ZQHHANXGKBZVHR-LJQANCHMSA-N 1 0 328.412 3.125 40 0 EGABRO CC(C)n1ccc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)n1 ZINC000073102598 216348649 /nfs/dbraw/zinc/34/86/49/216348649.db2.gz PGXMPPCCFZYKJC-UHFFFAOYSA-N 1 0 339.443 3.233 40 0 EGABRO O=C(Cc1ccon1)NCc1ccc(C[NH+]2CCCCCCC2)cc1 ZINC000073495592 216390330 /nfs/dbraw/zinc/39/03/30/216390330.db2.gz BLMTUEXQLITIDT-UHFFFAOYSA-N 1 0 341.455 3.300 40 0 EGABRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1F ZINC000023174784 212357807 /nfs/dbraw/zinc/35/78/07/212357807.db2.gz IKROJDLTEXCIGY-UHFFFAOYSA-N 1 0 343.446 3.408 40 0 EGABRO C[C@H](C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)c1ccccc1 ZINC000195567705 241014569 /nfs/dbraw/zinc/01/45/69/241014569.db2.gz SJNVRQJTMWQQOE-KRWDZBQOSA-N 1 0 344.499 3.066 40 0 EGABRO COc1ccc(S[C@H](C)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000216282745 241179949 /nfs/dbraw/zinc/17/99/49/241179949.db2.gz JTXFDQROGMVXFE-OAHLLOKOSA-N 1 0 336.501 3.168 40 0 EGABRO COC(C)(C)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225599567 241945247 /nfs/dbraw/zinc/94/52/47/241945247.db2.gz AEZZQAKZWRNEFF-UHFFFAOYSA-N 1 0 334.460 3.305 40 0 EGABRO CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236711898 242329256 /nfs/dbraw/zinc/32/92/56/242329256.db2.gz GHLHRWYXBUCMNQ-ZCTYVAAUSA-N 1 0 332.463 3.430 40 0 EGABRO CS[C@H](C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245339212 243103070 /nfs/dbraw/zinc/10/30/70/243103070.db2.gz RFDGLBVFWXPHQO-HCKVZZMMSA-N 1 0 344.883 3.340 40 0 EGABRO CCCc1cc(C(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)no1 ZINC000257200665 244118220 /nfs/dbraw/zinc/11/82/20/244118220.db2.gz AEINDEBCRGHVLX-CQSZACIVSA-N 1 0 342.443 3.026 40 0 EGABRO C[NH+](C)CC(=O)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000257211226 244150546 /nfs/dbraw/zinc/15/05/46/244150546.db2.gz BXZSWYHUPCPINX-INIZCTEOSA-N 1 0 341.430 3.155 40 0 EGABRO Nc1nccnc1C[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000257213418 244156112 /nfs/dbraw/zinc/15/61/12/244156112.db2.gz CHMTWRQHXXNPEJ-OAHLLOKOSA-N 1 0 333.439 3.062 40 0 EGABRO c1ccc(Nc2nccc(C3CC[NH+](Cc4cccnc4)CC3)n2)nc1 ZINC000257227544 244203310 /nfs/dbraw/zinc/20/33/10/244203310.db2.gz FPUVJPUHEVSXNA-UHFFFAOYSA-N 1 0 346.438 3.390 40 0 EGABRO Cc1nn(C)c2nc([C@@H]3CCC[N@H+](Cc4ncccc4F)C3)ccc12 ZINC000257257137 244285656 /nfs/dbraw/zinc/28/56/56/244285656.db2.gz KOFGDWKVLZPAEL-CQSZACIVSA-N 1 0 339.418 3.190 40 0 EGABRO C[C@]12CCCN(C(=O)c3cc4cccc(F)c4[nH]3)[C@H]1CCCC[NH2+]2 ZINC000257270697 244375848 /nfs/dbraw/zinc/37/58/48/244375848.db2.gz MVHHLDHQYOQBSM-LPHOPBHVSA-N 1 0 329.419 3.444 40 0 EGABRO Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(C)cc3c[nH+]cn32)cn1 ZINC000257260500 244346635 /nfs/dbraw/zinc/34/66/35/244346635.db2.gz LDDVQXQXKXGVMO-QGZVFWFLSA-N 1 0 335.411 3.109 40 0 EGABRO C[NH+](C)CCN(Cc1c[nH]nc1-c1ccccc1)Cc1cccnc1 ZINC000019582642 212047150 /nfs/dbraw/zinc/04/71/50/212047150.db2.gz NTHMXINRJGKREU-UHFFFAOYSA-N 1 0 335.455 3.036 40 0 EGABRO CCC[C@H](C(=O)NC(C)(C)C[NH+]1CCC(C)CC1)n1nc(C)cc1C ZINC000019501807 212034084 /nfs/dbraw/zinc/03/40/84/212034084.db2.gz AJKSMJIZIHPYDV-GOSISDBHSA-N 1 0 348.535 3.468 40 0 EGABRO CCC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019499273 212033276 /nfs/dbraw/zinc/03/32/76/212033276.db2.gz ZNYTWEUOPIDIIV-WBVHZDCISA-N 1 0 344.484 3.018 40 0 EGABRO Clc1ccccc1CN1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019349346 212019557 /nfs/dbraw/zinc/01/95/57/212019557.db2.gz QPJMWFNXOIBNRF-KRWDZBQOSA-N 1 0 328.847 3.113 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000078657055 217096405 /nfs/dbraw/zinc/09/64/05/217096405.db2.gz KLCOSRSSFAKRHM-TZMCWYRMSA-N 1 0 335.414 3.281 40 0 EGABRO COc1ccc(OC)c([C@H](O)C[NH2+]C/C=C/c2ccccc2OC)c1 ZINC000078979807 217163424 /nfs/dbraw/zinc/16/34/24/217163424.db2.gz RIGDHBWEQGCGEV-JHTBKMLMSA-N 1 0 343.423 3.049 40 0 EGABRO Cc1noc(C)c1[C@H](C)NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000079305993 217205616 /nfs/dbraw/zinc/20/56/16/217205616.db2.gz CRYZXJZMXPKULD-AWEZNQCLSA-N 1 0 344.459 3.174 40 0 EGABRO CC1CCC([NH+]2CCC(N(C)C(=O)CC3(O)CCCC3)CC2)CC1 ZINC000081305903 217380411 /nfs/dbraw/zinc/38/04/11/217380411.db2.gz FCTXKYZCWMNEJF-UHFFFAOYSA-N 1 0 336.520 3.183 40 0 EGABRO Cc1ccsc1C[NH+]1CCC(c2noc(-c3cnccn3)n2)CC1 ZINC000012337347 211351346 /nfs/dbraw/zinc/35/13/46/211351346.db2.gz UFJAEHJRHHEUST-UHFFFAOYSA-N 1 0 341.440 3.276 40 0 EGABRO CCn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cn1 ZINC000012325315 211348772 /nfs/dbraw/zinc/34/87/72/211348772.db2.gz AFSRUKWJCXZHSF-MCPYQZEQSA-N 1 0 329.419 3.057 40 0 EGABRO CCSc1ncc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cn1 ZINC000012366551 211357642 /nfs/dbraw/zinc/35/76/42/211357642.db2.gz ONRRWFUENSUYJF-GOEBONIOSA-N 1 0 332.473 3.386 40 0 EGABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2(c3ccccc3F)CC2)C1 ZINC000012204982 211321474 /nfs/dbraw/zinc/32/14/74/211321474.db2.gz QPJZLXZAPXADBO-HOTGVXAUSA-N 1 0 332.463 3.342 40 0 EGABRO Cc1nn2c(nc(C)c(C)c2NCC[NH+](C)C)c1-c1cccs1 ZINC000012113369 211292406 /nfs/dbraw/zinc/29/24/06/211292406.db2.gz HSZQYVKWWDCLIJ-UHFFFAOYSA-N 1 0 329.473 3.357 40 0 EGABRO C[C@H]1CC[C@H](CCC(=O)NC2CC[NH+](Cc3cccs3)CC2)O1 ZINC000095404734 218340061 /nfs/dbraw/zinc/34/00/61/218340061.db2.gz XIKDUUBKVCCANO-GOEBONIOSA-N 1 0 336.501 3.176 40 0 EGABRO FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000095420508 218361436 /nfs/dbraw/zinc/36/14/36/218361436.db2.gz MQLCPHAJWPPLML-UKRRQHHQSA-N 1 0 328.378 3.374 40 0 EGABRO C[C@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]C[C@@](C)(O)c1ccco1 ZINC000095423312 218366233 /nfs/dbraw/zinc/36/62/33/218366233.db2.gz GTUPUUUYLQAWML-SJKOYZFVSA-N 1 0 336.819 3.147 40 0 EGABRO CC(C)COc1ccc(C(C)(C)CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000095426503 218368654 /nfs/dbraw/zinc/36/86/54/218368654.db2.gz DBPRYBKZCBZTAV-UHFFFAOYSA-N 1 0 332.488 3.115 40 0 EGABRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)C1 ZINC000036741230 132392883 /nfs/dbraw/zinc/39/28/83/132392883.db2.gz VTPOIGCASOIQLF-QRWLVFNGSA-N 1 0 342.483 3.141 40 0 EGABRO COCCN1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21 ZINC000096241287 274025554 /nfs/dbraw/zinc/02/55/54/274025554.db2.gz AWWGBRKNLLAQSO-UHFFFAOYSA-N 1 0 337.467 3.082 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)o1 ZINC000096047341 274740591 /nfs/dbraw/zinc/74/05/91/274740591.db2.gz VDLAFQFOEMTXKQ-UHFFFAOYSA-N 1 0 326.444 3.261 40 0 EGABRO Cc1csc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000043240354 275128557 /nfs/dbraw/zinc/12/85/57/275128557.db2.gz QQFQMFWKQNFBSJ-CYBMUJFWSA-N 1 0 330.457 3.020 40 0 EGABRO C/C1=C\[C@@H](O)[C@H]2[C@@H](C[NH+]3CCCCC3)C(=O)O[C@H]2C/C(C)=C\CC1 ZINC000043736250 277733080 /nfs/dbraw/zinc/73/30/80/277733080.db2.gz PBRLWNMMGXHHMD-XMOQZMOVSA-N 1 0 333.472 3.068 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000248385110 278394541 /nfs/dbraw/zinc/39/45/41/278394541.db2.gz HFOOVDIVYJYHGI-MWDXBVQZSA-N 1 0 338.492 3.323 40 0 EGABRO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCc2nnc3n2CCCCC3)C1 ZINC000129231183 294674022 /nfs/dbraw/zinc/67/40/22/294674022.db2.gz MCWBQMMZCDVAIU-CHWSQXEVSA-N 1 0 330.398 3.258 40 0 EGABRO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]C2CCC3(CC2)OCCO3)cc1F ZINC000157046013 294749828 /nfs/dbraw/zinc/74/98/28/294749828.db2.gz LZFPSZZKYDIPBF-DLBZAZTESA-N 1 0 339.382 3.070 40 0 EGABRO C[C@H](CC[NH2+][C@H]1CCc2c1cccc2Br)[S@](C)=O ZINC000211273299 456022173 /nfs/dbraw/zinc/02/21/73/456022173.db2.gz LACQNTZIRDSNLO-RHXQLXPWSA-N 1 0 330.291 3.183 40 0 EGABRO Cc1cc(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000128188976 323218877 /nfs/dbraw/zinc/21/88/77/323218877.db2.gz IUHKUBUZPWRXPR-DOMZBBRYSA-N 1 0 339.277 3.312 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000163683551 323223966 /nfs/dbraw/zinc/22/39/66/323223966.db2.gz LBKCZNKXDLGURG-RTBURBONSA-N 1 0 345.487 3.080 40 0 EGABRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2CCCCS2)CC1 ZINC000390833116 324283215 /nfs/dbraw/zinc/28/32/15/324283215.db2.gz CHNFCSQOKJUOKH-GOSISDBHSA-N 1 0 332.513 3.395 40 0 EGABRO Cc1nc(C)c(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)s1 ZINC000158005717 455258100 /nfs/dbraw/zinc/25/81/00/455258100.db2.gz VBAZAVVKRLDWON-KBXCAEBGSA-N 1 0 344.528 3.198 40 0 EGABRO O=C(c1cccc(Cl)c1)N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000000441247 452592228 /nfs/dbraw/zinc/59/22/28/452592228.db2.gz NUPOXGUGXABKNY-HLLBOEOZSA-N 1 0 330.859 3.310 40 0 EGABRO CC(C)c1ccccc1OC[C@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000002694323 452714926 /nfs/dbraw/zinc/71/49/26/452714926.db2.gz STGDNMJDWDAYQL-LJQANCHMSA-N 1 0 343.467 3.044 40 0 EGABRO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c[nH]c2c(Cl)cccc2c1=O ZINC000013565996 453471115 /nfs/dbraw/zinc/47/11/15/453471115.db2.gz VLABRWPKKLAJHH-NSHDSACASA-N 1 0 348.834 3.200 40 0 EGABRO CCC[C@@H](c1nnnn1C(C)(C)CC)N1CC[NH+](C2CCCC2)CC1 ZINC000019501855 453656035 /nfs/dbraw/zinc/65/60/35/453656035.db2.gz SPEDDQJABAUJIR-KRWDZBQOSA-N 1 0 348.539 3.220 40 0 EGABRO Cc1ccc(N2CN(CCC[NH+](C)C)CN=C2c2ccccc2)cc1 ZINC000022609044 453694953 /nfs/dbraw/zinc/69/49/53/453694953.db2.gz UEDUFAUHWUFTTL-UHFFFAOYSA-N 1 0 336.483 3.431 40 0 EGABRO C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115293 453725670 /nfs/dbraw/zinc/72/56/70/453725670.db2.gz BHCFTMOSULXJHY-QGZVFWFLSA-N 1 0 338.451 3.366 40 0 EGABRO C[NH+](C)[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1)c1cccs1 ZINC000027679688 453819868 /nfs/dbraw/zinc/81/98/68/453819868.db2.gz NPHHLLUBQHNERU-LLVKDONJSA-N 1 0 343.374 3.195 40 0 EGABRO CCOC(=O)/C=C/c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000028900904 453825269 /nfs/dbraw/zinc/82/52/69/453825269.db2.gz DGJKSKSMIBEUON-FMIVXFBMSA-N 1 0 330.428 3.077 40 0 EGABRO C[NH+](C)[C@H](CNC(=O)c1ccc2ccccc2n1)c1cccc(F)c1 ZINC000032732658 453886332 /nfs/dbraw/zinc/88/63/32/453886332.db2.gz MKCZBEQEDHHHOV-LJQANCHMSA-N 1 0 337.398 3.407 40 0 EGABRO COc1cc(C)c(C[NH2+][C@H]2CCC[C@H](C(=O)NC(C)C)C2)cc1OC ZINC000083469843 453949159 /nfs/dbraw/zinc/94/91/59/453949159.db2.gz BTAOLLNZMUKASE-RDJZCZTQSA-N 1 0 348.487 3.185 40 0 EGABRO Cc1nc(COC[C@]23CCCO[C@H]2CC[N@H+](CC2CC2)C3)cs1 ZINC000096040155 454266998 /nfs/dbraw/zinc/26/69/98/454266998.db2.gz VGKOROHGTRPXKC-ZWKOTPCHSA-N 1 0 336.501 3.249 40 0 EGABRO CCOC[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2cn(C)nc21 ZINC000096044698 454268466 /nfs/dbraw/zinc/26/84/66/454268466.db2.gz ZSLSEGJNCHAAEO-HNNXBMFYSA-N 1 0 349.862 3.088 40 0 EGABRO O=C(c1cccs1)N1CCC[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096047006 454269657 /nfs/dbraw/zinc/26/96/57/454269657.db2.gz JQJWHWAMQRBVPZ-SFHVURJKSA-N 1 0 330.453 3.469 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccnc3)CC2)o1 ZINC000096049376 454271427 /nfs/dbraw/zinc/27/14/27/454271427.db2.gz KJXDHRKQPHHETN-UHFFFAOYSA-N 1 0 339.439 3.140 40 0 EGABRO O=C1CCC2(CC[NH+](Cc3cccs3)CC2)N1Cc1cccnc1 ZINC000096049373 454271678 /nfs/dbraw/zinc/27/16/78/454271678.db2.gz PUPKPRAAKAHPPX-UHFFFAOYSA-N 1 0 341.480 3.300 40 0 EGABRO O=C(C1CCCC1)N1CCCC2(CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000096071839 454277649 /nfs/dbraw/zinc/27/76/49/454277649.db2.gz UETJHKMOTHRHFS-SFHVURJKSA-N 1 0 334.504 3.060 40 0 EGABRO Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2ccoc2)CC3)cs1 ZINC000096106797 454284351 /nfs/dbraw/zinc/28/43/51/454284351.db2.gz ZEHHZSCUSRAYEI-KRWDZBQOSA-N 1 0 348.468 3.385 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3cccc(C)n3)CC[C@@H]2OC)cc1 ZINC000096110552 454286714 /nfs/dbraw/zinc/28/67/14/454286714.db2.gz RRCZPNKVNWQKCT-RXVVDRJESA-N 1 0 340.467 3.478 40 0 EGABRO O[C@]1(c2ccc(F)cc2)CCC[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000072340438 454294887 /nfs/dbraw/zinc/29/48/87/454294887.db2.gz JYZMRAZKRRPYGD-AHRSYUTCSA-N 1 0 326.415 3.340 40 0 EGABRO Cc1ccncc1COC[C@@]12CCC[C@@H]1C[N@H+](CC1CCOCC1)C2 ZINC000096206373 454304118 /nfs/dbraw/zinc/30/41/18/454304118.db2.gz UJIMUDAZJDFFAD-RTWAWAEBSA-N 1 0 344.499 3.435 40 0 EGABRO CCOC[C@@H]1CCC2(CCN(Cc3cc(C)on3)CC2)[N@@H+]1CC1CC1 ZINC000096207772 454304336 /nfs/dbraw/zinc/30/43/36/454304336.db2.gz WADFZBPCSQZGBN-IBGZPJMESA-N 1 0 347.503 3.229 40 0 EGABRO Cc1ncsc1C[NH+]1CCC2(CO[C@H](COCC3CC3)C2)CC1 ZINC000096208586 454305088 /nfs/dbraw/zinc/30/50/88/454305088.db2.gz KIHXYHORCFKSKI-INIZCTEOSA-N 1 0 336.501 3.249 40 0 EGABRO COc1ccccc1C[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC000096209858 454305279 /nfs/dbraw/zinc/30/52/79/454305279.db2.gz KZHBXBIEOYKYHQ-GOSISDBHSA-N 1 0 331.456 3.245 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CC(F)(F)F)C3)C2)o1 ZINC000096215953 454305666 /nfs/dbraw/zinc/30/56/66/454305666.db2.gz YXBWOEGYLBSIFD-INIZCTEOSA-N 1 0 344.377 3.355 40 0 EGABRO Fc1cccnc1N[C@H]1CO[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096219180 454306635 /nfs/dbraw/zinc/30/66/35/454306635.db2.gz GVKSBLLBBYSCGJ-CXAGYDPISA-N 1 0 333.432 3.128 40 0 EGABRO O=C1CCC2(CC[NH+](CC3CCOCC3)CC2)N1Cc1ccccc1 ZINC000096228231 454309496 /nfs/dbraw/zinc/30/94/96/454309496.db2.gz WETYCFKJIFJNAZ-UHFFFAOYSA-N 1 0 342.483 3.070 40 0 EGABRO c1cc(C[N@@H+]2CC[C@H]3OCCN(c4cccnc4)[C@H]3CC2)cs1 ZINC000096249427 454311930 /nfs/dbraw/zinc/31/19/30/454311930.db2.gz KNYGNVSNACRDIW-ZWKOTPCHSA-N 1 0 329.469 3.013 40 0 EGABRO O=C(c1cscn1)N1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC000096245500 454312017 /nfs/dbraw/zinc/31/20/17/454312017.db2.gz CCKWABDQABBHND-KBPBESRZSA-N 1 0 347.871 3.001 40 0 EGABRO Brc1ccc(N2CC[C@H]([NH2+]Cc3cccnc3)C2)cc1 ZINC000096403983 454322214 /nfs/dbraw/zinc/32/22/14/454322214.db2.gz QZXKIVMBGCSOKZ-HNNXBMFYSA-N 1 0 332.245 3.213 40 0 EGABRO CC(C)[C@@H](C(=O)N1CCC[N@@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000096431177 454342184 /nfs/dbraw/zinc/34/21/84/454342184.db2.gz HTOGRIHNTALESU-HXUWFJFHSA-N 1 0 344.499 3.140 40 0 EGABRO COc1ccc(CNC(=O)C2CC[NH+]([C@H]3C=CCCC3)CC2)cc1 ZINC000096445751 454352836 /nfs/dbraw/zinc/35/28/36/454352836.db2.gz DMXNCGJPHSMYBD-SFHVURJKSA-N 1 0 328.456 3.132 40 0 EGABRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(F)c(-n3cccc3)c2)C1 ZINC000096453147 454356207 /nfs/dbraw/zinc/35/62/07/454356207.db2.gz PVBCOVWNLFIMLZ-OAHLLOKOSA-N 1 0 344.434 3.422 40 0 EGABRO C[C@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)N(C)c1ccccc1 ZINC000096476621 454362612 /nfs/dbraw/zinc/36/26/12/454362612.db2.gz QJZYIABUAAAHGG-GOSISDBHSA-N 1 0 338.499 3.161 40 0 EGABRO c1oc(-c2ccccc2)nc1CN1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000096476920 454362950 /nfs/dbraw/zinc/36/29/50/454362950.db2.gz DXLXKPMFCNDUKC-KRWDZBQOSA-N 1 0 343.496 3.401 40 0 EGABRO C[N@@H+](Cc1ccc(Br)c2cccnc12)C[C@H]1CCOC1 ZINC000096497176 454371068 /nfs/dbraw/zinc/37/10/68/454371068.db2.gz UVMUQJVWDVIESR-GFCCVEGCSA-N 1 0 335.245 3.466 40 0 EGABRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000097095672 454405255 /nfs/dbraw/zinc/40/52/55/454405255.db2.gz ZYKJWEFSYHANEP-BMFZPTHFSA-N 1 0 348.491 3.035 40 0 EGABRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000097228466 454427071 /nfs/dbraw/zinc/42/70/71/454427071.db2.gz YYENXIUWGHCNDJ-YWZLYKJASA-N 1 0 345.437 3.403 40 0 EGABRO CC1CC[NH+](CC(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000097228147 454427209 /nfs/dbraw/zinc/42/72/09/454427209.db2.gz MPYPUAAKGIRWOB-HXUWFJFHSA-N 1 0 341.430 3.158 40 0 EGABRO OC[C@@H](C1CC1)[N@H+](Cc1cn2ccsc2n1)Cc1ccccc1 ZINC000097229694 454427569 /nfs/dbraw/zinc/42/75/69/454427569.db2.gz MOKIJOSURRPPQE-KRWDZBQOSA-N 1 0 327.453 3.169 40 0 EGABRO CC1CC[NH+](CC(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000097228146 454427672 /nfs/dbraw/zinc/42/76/72/454427672.db2.gz MPYPUAAKGIRWOB-FQEVSTJZSA-N 1 0 341.430 3.158 40 0 EGABRO Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000136222511 454730449 /nfs/dbraw/zinc/73/04/49/454730449.db2.gz LYZKEFOBWGMYIT-WBVHZDCISA-N 1 0 333.863 3.328 40 0 EGABRO CC1(C)COCC[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000136660344 454751847 /nfs/dbraw/zinc/75/18/47/454751847.db2.gz FUPJGIBYLDLDTF-UHFFFAOYSA-N 1 0 330.350 3.145 40 0 EGABRO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](CC(=O)Nc4cccnc4)[C@@H]3C2)s1 ZINC000107746008 454772638 /nfs/dbraw/zinc/77/26/38/454772638.db2.gz XLQCVBHVFSIAOQ-BJWYYQGGSA-N 1 0 327.453 3.158 40 0 EGABRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c(OC)c1 ZINC000127012287 454932965 /nfs/dbraw/zinc/93/29/65/454932965.db2.gz VTINTJNGDWCKSW-GOEBONIOSA-N 1 0 346.471 3.146 40 0 EGABRO COc1cc(F)cc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000156220418 455094913 /nfs/dbraw/zinc/09/49/13/455094913.db2.gz HHQDOUXBSOKPGD-AWEZNQCLSA-N 1 0 335.423 3.174 40 0 EGABRO C[NH+]1CCC(CCNC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000156316705 455104208 /nfs/dbraw/zinc/10/42/08/455104208.db2.gz KMDHUAQKOTYHGD-UHFFFAOYSA-N 1 0 345.270 3.220 40 0 EGABRO COCc1ccc(C[N@@H+]2CCCN(Cc3csc(C)n3)CC2)cc1 ZINC000157239006 455175969 /nfs/dbraw/zinc/17/59/69/455175969.db2.gz DAFSPQAYFAZJRK-UHFFFAOYSA-N 1 0 345.512 3.306 40 0 EGABRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cn2)CCO1 ZINC000237593157 455197306 /nfs/dbraw/zinc/19/73/06/455197306.db2.gz BDBXTBJECXZAIV-OAHLLOKOSA-N 1 0 336.439 3.078 40 0 EGABRO Cc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000247482886 455609659 /nfs/dbraw/zinc/60/96/59/455609659.db2.gz SWSJASRWIZTGPB-VQIMIIECSA-N 1 0 343.496 3.193 40 0 EGABRO CC(=O)N1CCc2cc([C@H](O)C[N@@H+]3CCC[C@H]4CCCC[C@H]43)ccc21 ZINC000247961516 455660283 /nfs/dbraw/zinc/66/02/83/455660283.db2.gz VLTGLJGOXUUTIJ-OZOXKJRCSA-N 1 0 342.483 3.284 40 0 EGABRO c1cc2c(cccc2CN2CC3(C2)CC[C@@H](C[NH+]2CCCC2)CO3)[nH]1 ZINC000248104480 455681486 /nfs/dbraw/zinc/68/14/86/455681486.db2.gz QFJUGKVWJPMJNG-KRWDZBQOSA-N 1 0 339.483 3.245 40 0 EGABRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)on1 ZINC000248714054 455727660 /nfs/dbraw/zinc/72/76/60/455727660.db2.gz DKAOFWMTQNYOIH-ZMSDIMECSA-N 1 0 343.427 3.068 40 0 EGABRO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000252477202 455806668 /nfs/dbraw/zinc/80/66/68/455806668.db2.gz JYVBIANUDPQQSD-FRQROOTJSA-N 1 0 349.425 3.152 40 0 EGABRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]3CCCc4cccc2c43)C1 ZINC000252584627 455822949 /nfs/dbraw/zinc/82/29/49/455822949.db2.gz BRLLKDOCVALNIU-YXJHDRRASA-N 1 0 327.472 3.144 40 0 EGABRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cn[nH]c(=O)c1Cl ZINC000253398319 455839934 /nfs/dbraw/zinc/83/99/34/455839934.db2.gz SHEMBXHJMPEUGX-HNNXBMFYSA-N 1 0 346.862 3.136 40 0 EGABRO Cc1nnc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000253418452 455841714 /nfs/dbraw/zinc/84/17/14/455841714.db2.gz NIUFUMCPGOEUDA-UHFFFAOYSA-N 1 0 336.892 3.208 40 0 EGABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCCN2C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000257299534 455886431 /nfs/dbraw/zinc/88/64/31/455886431.db2.gz RQLISTQXMKBTRE-LPHOPBHVSA-N 1 0 332.492 3.186 40 0 EGABRO Cc1c[nH]c(-c2cc(C3CC[NH+](Cc4cccnc4)CC3)nc(C)n2)n1 ZINC000257321107 455890353 /nfs/dbraw/zinc/89/03/53/455890353.db2.gz WACKCNXXRZOCKX-UHFFFAOYSA-N 1 0 348.454 3.258 40 0 EGABRO C[N@@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)C1CCOCC1 ZINC000257321714 455891625 /nfs/dbraw/zinc/89/16/25/455891625.db2.gz WCWSEAKHBJJMOP-SLFFLAALSA-N 1 0 342.483 3.240 40 0 EGABRO Cc1nc([C@@H]2CCC[NH2+]2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000257323440 455892196 /nfs/dbraw/zinc/89/21/96/455892196.db2.gz WKEOCUFIBJIDKZ-INIZCTEOSA-N 1 0 328.460 3.069 40 0 EGABRO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000195540599 455981950 /nfs/dbraw/zinc/98/19/50/455981950.db2.gz QGGVCJSGNWAMFM-ACJLOTCBSA-N 1 0 345.464 3.437 40 0 EGABRO CSc1ccccc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225562715 456093609 /nfs/dbraw/zinc/09/36/09/456093609.db2.gz AIGNTKPCZXLXMU-UHFFFAOYSA-N 1 0 348.512 3.029 40 0 EGABRO CC(=O)c1ccc(N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)nc1 ZINC000225603825 456097186 /nfs/dbraw/zinc/09/71/86/456097186.db2.gz TZXUTZGUHGSCQN-HNNXBMFYSA-N 1 0 344.484 3.007 40 0 EGABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCCC1 ZINC000225626291 456098965 /nfs/dbraw/zinc/09/89/65/456098965.db2.gz XNDUZDIVAMOMBF-UHFFFAOYSA-N 1 0 346.471 3.449 40 0 EGABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCCC1 ZINC000225654624 456101517 /nfs/dbraw/zinc/10/15/17/456101517.db2.gz LLHOIBXUAGTZCX-UHFFFAOYSA-N 1 0 334.460 3.305 40 0 EGABRO Cc1ccc(C(=O)N2CC[C@H]([N@@H+]3CCc4ccccc4C3)C2)s1 ZINC000225687319 456103859 /nfs/dbraw/zinc/10/38/59/456103859.db2.gz QXNOUHMOVSCDHH-KRWDZBQOSA-N 1 0 326.465 3.329 40 0 EGABRO Clc1cccnc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390881010 457448135 /nfs/dbraw/zinc/44/81/35/457448135.db2.gz VGOOWWWUPKTETD-INIZCTEOSA-N 1 0 331.847 3.438 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3Cc2cccnc2)s1 ZINC000503863550 458726570 /nfs/dbraw/zinc/72/65/70/458726570.db2.gz KIRHNXPJBTZLED-ROUUACIJSA-N 1 0 341.480 3.217 40 0 EGABRO O=C(C1CC(F)C1)N1CCC2(CCC[N@H+](Cc3ccccn3)C2)CC1 ZINC000585099921 459822616 /nfs/dbraw/zinc/82/26/16/459822616.db2.gz YZQSINIHYPZWJG-UHFFFAOYSA-N 1 0 345.462 3.034 40 0 EGABRO O=C1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3F)CC2)N1CCF ZINC000585099995 459823097 /nfs/dbraw/zinc/82/30/97/459823097.db2.gz CDTWPIPGJJIKTJ-GOSISDBHSA-N 1 0 340.389 3.281 40 0 EGABRO CCOc1ccccc1C(=O)N1CCC[C@@]2(CC[N@@H+]2CC(C)C)C1 ZINC000585101857 459823727 /nfs/dbraw/zinc/82/37/27/459823727.db2.gz JGHPGRVUPHISOI-HXUWFJFHSA-N 1 0 330.472 3.422 40 0 EGABRO COc1ccccc1C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000585141361 459829426 /nfs/dbraw/zinc/82/94/26/459829426.db2.gz 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ZINC000205394135 563559907 /nfs/dbraw/zinc/55/99/07/563559907.db2.gz XBRDIAKRCDIBDP-DLYSWHJUSA-N 1 0 328.481 3.181 40 0 EGABRO Fc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c(Cl)c1 ZINC000228935128 564118131 /nfs/dbraw/zinc/11/81/31/564118131.db2.gz QALMXNPVYHUSFH-UHFFFAOYSA-N 1 0 346.797 3.287 40 0 EGABRO CC(C)(C)OC(=O)N(Cc1ccc2c(c1)OCC2)[C@H]1CCC[NH2+]C1 ZINC000040449815 213304659 /nfs/dbraw/zinc/30/46/59/213304659.db2.gz CVUMRNBQGKQBFZ-INIZCTEOSA-N 1 0 332.444 3.111 40 0 EGABRO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)Cc2cccc(F)c2)cc1 ZINC000040024998 213252943 /nfs/dbraw/zinc/25/29/43/213252943.db2.gz YSJZJRKIGXNLHE-UHFFFAOYSA-N 1 0 328.387 3.489 40 0 EGABRO COc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1OC ZINC000072271230 216094659 /nfs/dbraw/zinc/09/46/59/216094659.db2.gz DWXRXXZBWJSNQR-UHFFFAOYSA-N 1 0 334.460 3.088 40 0 EGABRO C[C@@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc2ccccc2c1 ZINC000129314724 223044084 /nfs/dbraw/zinc/04/40/84/223044084.db2.gz BOURVSQNQHWQSX-CVEARBPZSA-N 1 0 325.456 3.494 40 0 EGABRO 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IGVXOXALQWGCEC-UHFFFAOYSA-N 1 0 344.212 3.111 40 0 EGABRO O=C(NCCCCc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000195554919 241004342 /nfs/dbraw/zinc/00/43/42/241004342.db2.gz NQFULLATQFUDQJ-UHFFFAOYSA-N 1 0 328.378 3.144 40 0 EGABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)Cc3sc(C)nc3C)C2)c1 ZINC000257311957 244493423 /nfs/dbraw/zinc/49/34/23/244493423.db2.gz ULTFMKUPRBWPAJ-CQSZACIVSA-N 1 0 344.484 3.064 40 0 EGABRO C[NH+](C)CCCN(Cc1cnn(-c2ccccc2)c1)Cc1ccccn1 ZINC000019582217 212047569 /nfs/dbraw/zinc/04/75/69/212047569.db2.gz RNVIVEUKHIKNJH-UHFFFAOYSA-N 1 0 349.482 3.221 40 0 EGABRO Cn1nc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)c2nccnc21 ZINC000019289382 212011012 /nfs/dbraw/zinc/01/10/12/212011012.db2.gz BHEPNINYFXWGKC-ZDUSSCGKSA-N 1 0 343.381 3.021 40 0 EGABRO CC1(C)Cc2cc(C[NH2+]Cc3ccccc3Cn3cncn3)ccc2O1 ZINC000078552316 217073508 /nfs/dbraw/zinc/07/35/08/217073508.db2.gz GZZFFWOHLQAPFU-UHFFFAOYSA-N 1 0 348.450 3.330 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)CC1 ZINC000078657034 217096226 /nfs/dbraw/zinc/09/62/26/217096226.db2.gz WHBJXASMKZCBLH-APWZRJJASA-N 1 0 345.487 3.032 40 0 EGABRO COc1ccc(C[N@H+](C)Cc2cc3ccccc3[nH]c2=O)c(OC)c1 ZINC000078921834 217148641 /nfs/dbraw/zinc/14/86/41/217148641.db2.gz IHVVWQGZLGZWLW-UHFFFAOYSA-N 1 0 338.407 3.177 40 0 EGABRO COc1ccc(OC)c([C@@H](O)C[NH2+]C/C=C/c2ccccc2OC)c1 ZINC000078979810 217163915 /nfs/dbraw/zinc/16/39/15/217163915.db2.gz RIGDHBWEQGCGEV-IWHGQQBYSA-N 1 0 343.423 3.049 40 0 EGABRO Cc1nn(CCO)c(C)c1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000078979881 217164221 /nfs/dbraw/zinc/16/42/21/217164221.db2.gz ZSRZBZFKYKSPNA-UHFFFAOYSA-N 1 0 331.435 3.190 40 0 EGABRO COc1ccc([C@H]2[C@@H](CNC(=O)c3ccoc3)CCC[N@@H+]2C)cc1 ZINC000079358331 217215037 /nfs/dbraw/zinc/21/50/37/217215037.db2.gz KHUKBMRDWWBWLO-QAPCUYQASA-N 1 0 328.412 3.101 40 0 EGABRO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1c(F)cccc1F ZINC000264273295 246274167 /nfs/dbraw/zinc/27/41/67/246274167.db2.gz HVVZEZXTANGZNF-UONOGXRCSA-N 1 0 337.414 3.296 40 0 EGABRO CC(C)[NH+]1CCC(CNC(=O)Cn2ccc3ccc(F)cc32)CC1 ZINC000012148387 211307249 /nfs/dbraw/zinc/30/72/49/211307249.db2.gz CFIAUUUTSWZCBK-UHFFFAOYSA-N 1 0 331.435 3.017 40 0 EGABRO O=C1NCCCN1C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000093668943 218242695 /nfs/dbraw/zinc/24/26/95/218242695.db2.gz DEOJKDIXVRMWBV-UHFFFAOYSA-N 1 0 329.469 3.281 40 0 EGABRO CCOc1cc2c(cc1OCC)CN(CC[C@@H]1CCCC[NH2+]1)CC2 ZINC000095097530 218280907 /nfs/dbraw/zinc/28/09/07/218280907.db2.gz CQMUZOFNVIFTHH-SFHVURJKSA-N 1 0 332.488 3.374 40 0 EGABRO CN(C)C(=O)CC1CCC2(CC1)CC[NH+](CC1CCOCC1)CC2 ZINC000096049279 218538556 /nfs/dbraw/zinc/53/85/56/218538556.db2.gz ZGTMZXWDPLUWPJ-UHFFFAOYSA-N 1 0 336.520 3.164 40 0 EGABRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2csnc2C)cc1 ZINC000097237564 219003615 /nfs/dbraw/zinc/00/36/15/219003615.db2.gz MNZIVEKZAODZRF-KRWDZBQOSA-N 1 0 345.468 3.027 40 0 EGABRO CCc1c(C)[nH+]c2ccccc2c1NCC1CCS(=O)(=O)CC1 ZINC000097232556 219001276 /nfs/dbraw/zinc/00/12/76/219001276.db2.gz JLIUJBJGTOGIER-UHFFFAOYSA-N 1 0 332.469 3.342 40 0 EGABRO COc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000004886605 210311956 /nfs/dbraw/zinc/31/19/56/210311956.db2.gz WKQQPTBSXKRFQF-VHRNVKJDSA-N 1 0 329.444 3.365 40 0 EGABRO OC1(c2ccccn2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012089055 285241743 /nfs/dbraw/zinc/24/17/43/285241743.db2.gz UTBOADCXNJCUBK-XEWABKELSA-N 1 0 326.415 3.340 40 0 EGABRO CCC(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CCC[C@H](C)C3)ccc21 ZINC000036741241 132392654 /nfs/dbraw/zinc/39/26/54/132392654.db2.gz RJWUXZLTVUFXQN-KXBFYZLASA-N 1 0 330.472 3.141 40 0 EGABRO CCO[C@H]1CC2(CC[NH+]([C@H]3CCOC3)CC2)c2cc(OC)ccc21 ZINC000096241880 276358782 /nfs/dbraw/zinc/35/87/82/276358782.db2.gz TZRYPHVNMHINEB-KXBFYZLASA-N 1 0 331.456 3.299 40 0 EGABRO CC(=O)NCc1cnc(C)nc1[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000257324848 277038132 /nfs/dbraw/zinc/03/81/32/277038132.db2.gz WQLHNTRUEATMHM-GOSISDBHSA-N 1 0 330.476 3.138 40 0 EGABRO COc1ccc(C(=O)N2CC[NH+]=Cc3cc(N)ccc32)cc1Cl ZINC000073642391 277872844 /nfs/dbraw/zinc/87/28/44/277872844.db2.gz WBORBNHUOBKGQN-UHFFFAOYSA-N 1 0 329.787 3.010 40 0 EGABRO CC[C@@H](OC[C@H](O)C[N@H+](CCO)Cc1ccccc1)c1ccccc1 ZINC000006449987 280213247 /nfs/dbraw/zinc/21/32/47/280213247.db2.gz ITVGMNRFDVQDOW-NHCUHLMSSA-N 1 0 343.467 3.010 40 0 EGABRO CCCCCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OCC)c1 ZINC000007260968 453051676 /nfs/dbraw/zinc/05/16/76/453051676.db2.gz JNYROHOMESGJRP-UHFFFAOYSA-N 1 0 342.867 3.273 40 0 EGABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC000019572867 301246614 /nfs/dbraw/zinc/24/66/14/301246614.db2.gz HGZVADMWPWEXDO-OALUTQOASA-N 1 0 346.519 3.318 40 0 EGABRO Cc1cc2c(cc1CN(CC[NH+](C)C)Cc1cccs1)OCO2 ZINC000023247869 301449624 /nfs/dbraw/zinc/44/96/24/301449624.db2.gz VKKKRURMVWQHJU-UHFFFAOYSA-N 1 0 332.469 3.349 40 0 EGABRO C[NH+](C)[C@H](CNc1ncc(Br)cn1)c1cccs1 ZINC000067346678 453922930 /nfs/dbraw/zinc/92/29/30/453922930.db2.gz BWMXBTKTCVCADK-SNVBAGLBSA-N 1 0 327.251 3.015 40 0 EGABRO OCc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000241634617 455268267 /nfs/dbraw/zinc/26/82/67/455268267.db2.gz PNVBZAOQMGVEQD-UXHICEINSA-N 1 0 329.415 3.406 40 0 EGABRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccnc1 ZINC000189995507 455269198 /nfs/dbraw/zinc/26/91/98/455269198.db2.gz NRLKATQPWUJQFG-ACJLOTCBSA-N 1 0 345.393 3.202 40 0 EGABRO Cc1ccc2nc(C[N@@H+]3CCC[C@@H]3c3cccs3)cc(=O)n2c1 ZINC000008319988 453189697 /nfs/dbraw/zinc/18/96/97/453189697.db2.gz LGTKVLKBSNNWSV-OAHLLOKOSA-N 1 0 325.437 3.402 40 0 EGABRO CCOc1cc(C[NH2+][C@H](C)CC)ccc1OCC(=O)NC(C)(C)C ZINC000008325979 453192369 /nfs/dbraw/zinc/19/23/69/453192369.db2.gz YTFOJSJDFHFFMI-CQSZACIVSA-N 1 0 336.476 3.267 40 0 EGABRO Cc1ccc2c(c1)CN(C(=O)c1cccs1)[C@@H](C[NH+](C)C)CO2 ZINC000012406644 453361496 /nfs/dbraw/zinc/36/14/96/453361496.db2.gz ZPMXZQPJLZTZSJ-HNNXBMFYSA-N 1 0 330.453 3.022 40 0 EGABRO Cc1sc2nc(COc3ccccc3)nc(NCC[NH3+])c2c1C ZINC000013998675 453494920 /nfs/dbraw/zinc/49/49/20/453494920.db2.gz YNAHPHYPIOPAQV-UHFFFAOYSA-N 1 0 328.441 3.258 40 0 EGABRO COc1ccc(C[N@@H+](Cc2sccc2C)C[C@H](C)O)cc1OC ZINC000013991430 453494937 /nfs/dbraw/zinc/49/49/37/453494937.db2.gz UYCGZSQJIJPWHI-AWEZNQCLSA-N 1 0 335.469 3.457 40 0 EGABRO Cc1ccc(-c2cc(C[C@@]3(C(=O)NCC(C)C)CCC[NH2+]3)on2)cc1 ZINC000019696529 453658887 /nfs/dbraw/zinc/65/88/87/453658887.db2.gz WHQXMWBMBGPANV-HXUWFJFHSA-N 1 0 341.455 3.087 40 0 EGABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2C ZINC000019713841 453658903 /nfs/dbraw/zinc/65/89/03/453658903.db2.gz HVNDZXGEIANCAL-ZWKOTPCHSA-N 1 0 332.492 3.056 40 0 EGABRO O[C@@H](COCc1ccco1)C[N@@H+]1CCc2sccc2[C@@H]1C1CC1 ZINC000025697653 453783418 /nfs/dbraw/zinc/78/34/18/453783418.db2.gz OPXFGKBQAYKWLB-KDOFPFPSSA-N 1 0 333.453 3.228 40 0 EGABRO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000028234542 453822733 /nfs/dbraw/zinc/82/27/33/453822733.db2.gz XPECJTSWPXNAAP-IBGZPJMESA-N 1 0 337.423 3.248 40 0 EGABRO C[C@H](Oc1ccccc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029839119 453832091 /nfs/dbraw/zinc/83/20/91/453832091.db2.gz FVUPDSOBSDYOSB-KRWDZBQOSA-N 1 0 338.451 3.019 40 0 EGABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000030756712 453837889 /nfs/dbraw/zinc/83/78/89/453837889.db2.gz PPINEJUOMHTWRD-IBGZPJMESA-N 1 0 348.487 3.091 40 0 EGABRO Cc1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032462660 453874192 /nfs/dbraw/zinc/87/41/92/453874192.db2.gz ZBZVEESMKWYICR-UHFFFAOYSA-N 1 0 338.451 3.286 40 0 EGABRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000040161242 453949453 /nfs/dbraw/zinc/94/94/53/453949453.db2.gz RWIXOFLYDZVQRN-JTDSTZFVSA-N 1 0 345.487 3.019 40 0 EGABRO CN(C)c1ncccc1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000076396752 453997236 /nfs/dbraw/zinc/99/72/36/453997236.db2.gz SQTUXHKPMDREFA-UHFFFAOYSA-N 1 0 325.334 3.336 40 0 EGABRO S=C(Nc1ccccc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044221988 454092270 /nfs/dbraw/zinc/09/22/70/454092270.db2.gz PYYJPSQTQJDGFE-UHFFFAOYSA-N 1 0 326.469 3.033 40 0 EGABRO Cn1cc(C[NH2+]CCc2ccc(NC(=O)OC(C)(C)C)cc2)cn1 ZINC000088757274 454119002 /nfs/dbraw/zinc/11/90/02/454119002.db2.gz KTECWJQGXRFXTA-UHFFFAOYSA-N 1 0 330.432 3.099 40 0 EGABRO COc1cccc2cc([C@H](C)NC(=O)C[N@H+](C)[C@@H]3CCSC3)oc21 ZINC000095449021 454215270 /nfs/dbraw/zinc/21/52/70/454215270.db2.gz LXYSXCZQYPDRSW-GXTWGEPZSA-N 1 0 348.468 3.056 40 0 EGABRO O=C(c1cccs1)N1CCC[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096047023 454269187 /nfs/dbraw/zinc/26/91/87/454269187.db2.gz VYUZBHDABYBVMT-LJQANCHMSA-N 1 0 341.480 3.271 40 0 EGABRO O=C(c1cccs1)N1CCC[C@]2(CC[N@H+](Cc3ccncc3)C2)C1 ZINC000096047027 454269545 /nfs/dbraw/zinc/26/95/45/454269545.db2.gz RDRXPHQEIMIUSO-LJQANCHMSA-N 1 0 341.480 3.271 40 0 EGABRO Cc1ccc(N2CCC3(CC2)CC[NH+](Cc2ccoc2)CC3)nn1 ZINC000096047349 454269637 /nfs/dbraw/zinc/26/96/37/454269637.db2.gz SXIIEBYTICUGDG-UHFFFAOYSA-N 1 0 326.444 3.261 40 0 EGABRO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccoc4)C3)C2)cc1 ZINC000096047609 454269810 /nfs/dbraw/zinc/26/98/10/454269810.db2.gz ALNHPADQVLGLED-HKUYNNGSSA-N 1 0 328.412 3.134 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)o1 ZINC000096057068 454274459 /nfs/dbraw/zinc/27/44/59/454274459.db2.gz STWOGAGBXPFSIH-AZUAARDMSA-N 1 0 342.439 3.433 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)s1 ZINC000096061379 454277202 /nfs/dbraw/zinc/27/72/02/454277202.db2.gz ZQHNTDOZNFSRPE-KRWDZBQOSA-N 1 0 341.480 3.090 40 0 EGABRO COc1ccc(CN2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC000096061980 454277695 /nfs/dbraw/zinc/27/76/95/454277695.db2.gz WNXYBGLQWNOUCN-MRXNPFEDSA-N 1 0 342.487 3.309 40 0 EGABRO O=C(C1CC=CC1)N1CCC2(CCC[N@H+](Cc3ccccn3)C2)CC1 ZINC000096063022 454278586 /nfs/dbraw/zinc/27/85/86/454278586.db2.gz CCYWJBNLSUSJFN-UHFFFAOYSA-N 1 0 339.483 3.252 40 0 EGABRO c1csc(CN2CCO[C@@]3(CCC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC000096074945 454279494 /nfs/dbraw/zinc/27/94/94/454279494.db2.gz ZJNGWVDGBZDTFY-LJQANCHMSA-N 1 0 343.496 3.010 40 0 EGABRO O=C1N(c2cccnc2)CC[C@]12CCC[N@H+](Cc1ccsc1)C2 ZINC000096074034 454280427 /nfs/dbraw/zinc/28/04/27/454280427.db2.gz JHRAGYGRNBWUOI-SFHVURJKSA-N 1 0 327.453 3.162 40 0 EGABRO Fc1cccnc1O[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096107023 454284255 /nfs/dbraw/zinc/28/42/55/454284255.db2.gz GSBQVJUWYQRUKT-HNNXBMFYSA-N 1 0 332.375 3.016 40 0 EGABRO Cc1cccc(C[N@@H+]2CC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)c1 ZINC000096107635 454285775 /nfs/dbraw/zinc/28/57/75/454285775.db2.gz BNOAPJQFMYWJRB-SFTDATJTSA-N 1 0 338.451 3.340 40 0 EGABRO Cc1occc1C(=O)N1CCC2(CC[N@H+](Cc3nccs3)C2)CC1 ZINC000096157448 454294532 /nfs/dbraw/zinc/29/45/32/454294532.db2.gz GXGSVFCHOFMFBQ-UHFFFAOYSA-N 1 0 345.468 3.173 40 0 EGABRO Cn1cccc1C[NH+]1CCC2(CCN(C(=O)c3cccs3)C2)CC1 ZINC000096157487 454294663 /nfs/dbraw/zinc/29/46/63/454294663.db2.gz KHHYNJPWUDJMQY-UHFFFAOYSA-N 1 0 343.496 3.215 40 0 EGABRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(Br)cc2F)C1 ZINC000046878909 454296415 /nfs/dbraw/zinc/29/64/15/454296415.db2.gz UTQGSUXHNXZKJW-NSHDSACASA-N 1 0 343.240 3.050 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)s1 ZINC000096199707 454302995 /nfs/dbraw/zinc/30/29/95/454302995.db2.gz LGRLUPIFDPXJGQ-KRWDZBQOSA-N 1 0 341.480 3.090 40 0 EGABRO O=C(/C=C/c1cccs1)N1CC[C@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2 ZINC000096209424 454305371 /nfs/dbraw/zinc/30/53/71/454305371.db2.gz QQXYCSFQUHWDAW-RIOIIYTLSA-N 1 0 346.496 3.007 40 0 EGABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccco3)CC2)N1Cc1ccncc1 ZINC000096218081 454307789 /nfs/dbraw/zinc/30/77/89/454307789.db2.gz WPSDEPPOMHAQOL-FQEVSTJZSA-N 1 0 339.439 3.222 40 0 EGABRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)C1CCC1)CC2 ZINC000096221046 454309159 /nfs/dbraw/zinc/30/91/59/454309159.db2.gz ZNMUEVLUIAULHM-IBGZPJMESA-N 1 0 342.483 3.069 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238798 454310687 /nfs/dbraw/zinc/31/06/87/454310687.db2.gz NJRRRHABNRMZIC-LJQANCHMSA-N 1 0 343.402 3.060 40 0 EGABRO O=C(Nc1ccc2c(c1)OCO2)C1=CC2(CC[NH2+]CC2)c2ccccc21 ZINC000096268437 454314414 /nfs/dbraw/zinc/31/44/14/454314414.db2.gz MZLXYZPKERBTIC-UHFFFAOYSA-N 1 0 348.402 3.072 40 0 EGABRO Brc1ccc(N2CC[C@H]([NH2+]Cc3ccccn3)C2)cc1 ZINC000096403981 454322378 /nfs/dbraw/zinc/32/23/78/454322378.db2.gz SQPROOJFNXTLNI-HNNXBMFYSA-N 1 0 332.245 3.213 40 0 EGABRO C[NH+](C)Cc1cc(CNC(=O)N2Cc3ccccc3C2)ccc1F ZINC000096406888 454325543 /nfs/dbraw/zinc/32/55/43/454325543.db2.gz GKMBGZSBTLVGJQ-UHFFFAOYSA-N 1 0 327.403 3.113 40 0 EGABRO CC/C=C/C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000096411639 454329060 /nfs/dbraw/zinc/32/90/60/454329060.db2.gz MFAVXNVEQXYUDC-SNAWJCMRSA-N 1 0 341.377 3.362 40 0 EGABRO COc1cc(C[N@H+](C)CCc2ccncc2)c(SC)cc1OC ZINC000096421190 454336380 /nfs/dbraw/zinc/33/63/80/454336380.db2.gz UYGUTOJKPUDIJW-UHFFFAOYSA-N 1 0 332.469 3.495 40 0 EGABRO O=C(C[C@H]1CCOc2ccccc21)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000096426735 454339560 /nfs/dbraw/zinc/33/95/60/454339560.db2.gz CVCFXRNCGMEHTO-ZWKOTPCHSA-N 1 0 342.483 3.277 40 0 EGABRO COc1ccc(C)cc1C1(C[NH2+][C@H](C)c2nnc(C)o2)CCOCC1 ZINC000079029840 454357819 /nfs/dbraw/zinc/35/78/19/454357819.db2.gz YFKCTHWFUZDVSY-CQSZACIVSA-N 1 0 345.443 3.094 40 0 EGABRO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCSC1 ZINC000096486741 454367744 /nfs/dbraw/zinc/36/77/44/454367744.db2.gz QTJAYFVBAJEUDB-CZUORRHYSA-N 1 0 340.439 3.066 40 0 EGABRO CC(C)[NH+]1CCC(Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 ZINC000097238250 454428779 /nfs/dbraw/zinc/42/87/79/454428779.db2.gz JTPHUZZSRYWBFR-GOSISDBHSA-N 1 0 331.460 3.089 40 0 EGABRO COc1cc(OC)cc(N2CCC([NH2+]CC3(C)CCOCC3)CC2)c1 ZINC000097375216 454434074 /nfs/dbraw/zinc/43/40/74/454434074.db2.gz SPTDKIFVZFILIE-UHFFFAOYSA-N 1 0 348.487 3.079 40 0 EGABRO COc1ccc(Cl)cc1C(=O)N1CC[NH+]=Cc2cc(N)ccc21 ZINC000073642402 454463368 /nfs/dbraw/zinc/46/33/68/454463368.db2.gz HTCWQTIHUMVJSG-UHFFFAOYSA-N 1 0 329.787 3.010 40 0 EGABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4cccnc4)C3)o2)cc1 ZINC000049170229 454537001 /nfs/dbraw/zinc/53/70/01/454537001.db2.gz AOXVKSNAZRZWKR-KRWDZBQOSA-N 1 0 349.438 3.187 40 0 biogenic,in-vitro EGABRO Cc1noc(C)c1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000065286854 454549165 /nfs/dbraw/zinc/54/91/65/454549165.db2.gz VDOLYRAUYWEUNQ-INIZCTEOSA-N 1 0 337.427 3.456 40 0 EGABRO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCc2c3ccccc3[nH]c21 ZINC000137587030 454783178 /nfs/dbraw/zinc/78/31/78/454783178.db2.gz BLROAGZNDOJDHY-SFHVURJKSA-N 1 0 334.419 3.483 40 0 EGABRO O=c1cc([C@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)nc(-c2ccncc2)[nH]1 ZINC000247813180 455647502 /nfs/dbraw/zinc/64/75/02/455647502.db2.gz CAYHPOHBXLBIEM-WBVHZDCISA-N 1 0 336.439 3.390 40 0 EGABRO CC(C)C(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CCC[C@H](C)C3)ccc21 ZINC000248166510 455692312 /nfs/dbraw/zinc/69/23/12/455692312.db2.gz OPSKSEGKNBSNDR-OXJNMPFZSA-N 1 0 344.499 3.387 40 0 EGABRO O[C@H]1C[C@H](c2ccccc2C(F)(F)F)[N@H+](CC2=CCCOC2)C1 ZINC000253417069 455842482 /nfs/dbraw/zinc/84/24/82/455842482.db2.gz CMNZBURXCCECBS-XJKSGUPXSA-N 1 0 327.346 3.160 40 0 EGABRO c1ncc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)[nH]1 ZINC000253431476 455847374 /nfs/dbraw/zinc/84/73/74/455847374.db2.gz SCULQIIOFDKJRX-DNVCBOLYSA-N 1 0 335.411 3.013 40 0 EGABRO Cc1ncc(CN(C)C)c([C@H]2CCC[N@@H+]2CCc2ccc(F)cc2)n1 ZINC000257215396 455879914 /nfs/dbraw/zinc/87/99/14/455879914.db2.gz CPYFTDCSGHUIJD-LJQANCHMSA-N 1 0 342.462 3.365 40 0 EGABRO Cc1cccnc1Nc1cc(C2CC[NH+]([C@@H]3CCOC3)CC2)ccn1 ZINC000257334869 455894572 /nfs/dbraw/zinc/89/45/72/455894572.db2.gz YHSSIYRLOXQZDD-GOSISDBHSA-N 1 0 338.455 3.497 40 0 EGABRO O=C(CCc1c[nH]c2ccccc12)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257344822 455897211 /nfs/dbraw/zinc/89/72/11/455897211.db2.gz ZYUDMRAGAHFWAS-FUHWJXTLSA-N 1 0 325.456 3.091 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1cccc(OC)c1 ZINC000260492742 455899170 /nfs/dbraw/zinc/89/91/70/455899170.db2.gz TYASKSAOCALWHG-DLBZAZTESA-N 1 0 348.487 3.233 40 0 EGABRO COc1cccc2[nH]cc(CC[NH2+][C@@H](c3ncc[nH]3)c3cccnc3)c21 ZINC000195113740 455922258 /nfs/dbraw/zinc/92/22/58/455922258.db2.gz GPWHTKHBWOBPHE-LJQANCHMSA-N 1 0 347.422 3.216 40 0 EGABRO OCc1ccc(Cl)c(NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000195552551 455983598 /nfs/dbraw/zinc/98/35/98/455983598.db2.gz HPMSWFNVXACIAA-UHFFFAOYSA-N 1 0 331.847 3.304 40 0 EGABRO COc1ccccc1N1CCC[C@@H]([NH2+][C@@H](C)c2cnn(C)c2C)C1 ZINC000195553592 455984100 /nfs/dbraw/zinc/98/41/00/455984100.db2.gz STZJFBOMRWTQRE-GOEBONIOSA-N 1 0 328.460 3.057 40 0 EGABRO O=C1CC[C@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)CC[C@@H]2N1C1CC1 ZINC000225547283 456091737 /nfs/dbraw/zinc/09/17/37/456091737.db2.gz VQBIFUIXXIUVEY-GUYCJALGSA-N 1 0 336.838 3.454 40 0 EGABRO Cn1cccc1[C@H]1CCCN1C(=O)Cc1cncn1Cc1ccccc1 ZINC000225554982 456092321 /nfs/dbraw/zinc/09/23/21/456092321.db2.gz BEKGVJFGGAXGCI-HXUWFJFHSA-N 1 0 348.450 3.176 40 0 EGABRO COc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCc1c(C)nn(C)c1C ZINC000225581420 456094298 /nfs/dbraw/zinc/09/42/98/456094298.db2.gz KSRMZBZGRAICIK-IBGZPJMESA-N 1 0 343.471 3.482 40 0 EGABRO O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)C1CC[NH+](C2CC2)CC1 ZINC000225607562 456096762 /nfs/dbraw/zinc/09/67/62/456096762.db2.gz HHAVSIVGDFXORI-UHFFFAOYSA-N 1 0 344.846 3.339 40 0 EGABRO CO[C@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1CC1 ZINC000225644292 456100721 /nfs/dbraw/zinc/10/07/21/456100721.db2.gz VQVGTJMHPPRFPS-FQEVSTJZSA-N 1 0 346.471 3.305 40 0 EGABRO CC[C@H](CC1CCCC1)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333347518 456204941 /nfs/dbraw/zinc/20/49/41/456204941.db2.gz ZPCVYMDZRNYKDK-BHIYHBOVSA-N 1 0 336.520 3.338 40 0 EGABRO c1coc(C[N@@H+]2CC[C@@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306142949 456566792 /nfs/dbraw/zinc/56/67/92/456566792.db2.gz XOYWGISKCBUTPV-NRFANRHFSA-N 1 0 346.434 3.234 40 0 EGABRO CN1CC[C@@H](COCc2ccncc2)CC12C[NH+](CC1CCCC1)C2 ZINC000585103697 459824474 /nfs/dbraw/zinc/82/44/74/459824474.db2.gz YLXMRHRRDQQHTL-HXUWFJFHSA-N 1 0 343.515 3.185 40 0 EGABRO C[NH2+][C@@H]1CCC[C@@H](Oc2ccccc2Oc2cccc(F)c2)[C@@H]1O ZINC000585262448 459831461 /nfs/dbraw/zinc/83/14/61/459831461.db2.gz OUIMFPFAYJETOA-ATZDWAIDSA-N 1 0 331.387 3.498 40 0 EGABRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)c1 ZINC000585288806 459833461 /nfs/dbraw/zinc/83/34/61/459833461.db2.gz JNFNOLPIMUTAAO-PWRODBHTSA-N 1 0 341.451 3.454 40 0 EGABRO CC[C@@H]1CCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000242191296 535823074 /nfs/dbraw/zinc/82/30/74/535823074.db2.gz XEMPFKJQMDOWEL-MRXNPFEDSA-N 1 0 345.487 3.101 40 0 EGABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccsc2)nc1 ZINC000257336120 536021133 /nfs/dbraw/zinc/02/11/33/536021133.db2.gz YNHBPYBQJHMWQU-KRWDZBQOSA-N 1 0 329.469 3.111 40 0 EGABRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CN1c1ccccc1 ZINC000205394170 563559867 /nfs/dbraw/zinc/55/98/67/563559867.db2.gz XBRDIAKRCDIBDP-YAEBDLLGSA-N 1 0 328.481 3.181 40 0 EGABRO Clc1cccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228941813 564118169 /nfs/dbraw/zinc/11/81/69/564118169.db2.gz ILMGRYWHAZFJAD-UHFFFAOYSA-N 1 0 328.807 3.148 40 0 EGABRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC000028241515 1291303900 /nfs/dbraw/zinc/30/39/00/1291303900.db2.gz QUNLOCSXHOVUHH-VQTJNVASSA-N 1 0 335.451 3.181 40 0 EGABRO COc1ccc(-c2c[nH+]c(NCc3ccc(O)c(OC)c3)n2C)cc1 ZINC000199408620 1296089192 /nfs/dbraw/zinc/08/91/92/1296089192.db2.gz CMTQUZRAJPHEIZ-UHFFFAOYSA-N 1 0 339.395 3.422 40 0 EGABRO CCc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000159101798 529680768 /nfs/dbraw/zinc/68/07/68/529680768.db2.gz ZGEFOYXJBASSHQ-AWEZNQCLSA-N 1 0 349.450 3.011 40 0 EGABRO C[C@H](NC(=O)N1CCSCC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000225626952 299115870 /nfs/dbraw/zinc/11/58/70/299115870.db2.gz VBHPEOIHMOPGNC-JYJNAYRXSA-N 1 0 339.549 3.176 40 0 EGABRO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2ccccc2oc1=O ZINC000004028876 210103619 /nfs/dbraw/zinc/10/36/19/210103619.db2.gz RSECRXHUBSWNPG-WBVHZDCISA-N 1 0 341.407 3.214 40 0 biogenic EGABRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)CC(F)(F)F)c1ccccc1O2 ZINC000096079739 282723468 /nfs/dbraw/zinc/72/34/68/282723468.db2.gz JNEXUASYBKAWHD-CYBMUJFWSA-N 1 0 342.361 3.043 40 0 EGABRO COc1cc(OC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)ccc1O ZINC000038607743 213215616 /nfs/dbraw/zinc/21/56/16/213215616.db2.gz DTXXMQRFTUCBHG-PBHICJAKSA-N 1 0 331.387 3.312 40 0 EGABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1OCc1ccccn1 ZINC000072324653 216151184 /nfs/dbraw/zinc/15/11/84/216151184.db2.gz PSALXLDQUOSPMJ-YLJYHZDGSA-N 1 0 337.467 3.329 40 0 EGABRO C[NH+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)c2ccc(Cl)cc2)C1 ZINC000129671606 223079304 /nfs/dbraw/zinc/07/93/04/223079304.db2.gz RWUCHHBPKSMMGY-AWEZNQCLSA-N 1 0 337.895 3.211 40 0 EGABRO C[NH+](C)C[C@H]1CCN(C(=O)NCC(C)(C)c2ccc(Cl)cc2)C1 ZINC000129671367 223079329 /nfs/dbraw/zinc/07/93/29/223079329.db2.gz RWUCHHBPKSMMGY-CQSZACIVSA-N 1 0 337.895 3.211 40 0 EGABRO CC(C)[C@@H]([NH3+])c1nnc2ccc(-c3cccc(Br)c3)nn21 ZINC000217566172 241259698 /nfs/dbraw/zinc/25/96/98/241259698.db2.gz UDTIGIHMKWSOMY-CQSZACIVSA-N 1 0 346.232 3.210 40 0 EGABRO COc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)C[C@@H]2c2cccs2)cc1 ZINC000227150466 242121765 /nfs/dbraw/zinc/12/17/65/242121765.db2.gz XBOVYNUCTICSID-CJNGLKHVSA-N 1 0 345.468 3.224 40 0 EGABRO CC[C@H]1CCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000242191295 243012145 /nfs/dbraw/zinc/01/21/45/243012145.db2.gz XEMPFKJQMDOWEL-INIZCTEOSA-N 1 0 345.487 3.101 40 0 EGABRO CNC(=O)c1sc2nc([C@@]3(C)CCC[N@@H+](C(C)C)C3)ccc2c1N ZINC000257208163 244141322 /nfs/dbraw/zinc/14/13/22/244141322.db2.gz BLADLXLYAKQVKI-SFHVURJKSA-N 1 0 346.500 3.000 40 0 EGABRO Cn1ccnc1C[NH+]1CCC2(CO[C@@H](Cc3cccc(F)c3)C2)CC1 ZINC000257246962 244258251 /nfs/dbraw/zinc/25/82/51/244258251.db2.gz IWSYDRHUVXRNLI-SFHVURJKSA-N 1 0 343.446 3.173 40 0 EGABRO c1c2ccccc2sc1C[N@H+]1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257242131 244246954 /nfs/dbraw/zinc/24/69/54/244246954.db2.gz IBFUFSWPUYPWDF-HNNXBMFYSA-N 1 0 339.464 3.382 40 0 EGABRO Cc1cc(-c2nccn2C)nc([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000257272200 244381208 /nfs/dbraw/zinc/38/12/08/244381208.db2.gz NBLFLPUGMDNLLK-KRWDZBQOSA-N 1 0 333.439 3.175 40 0 EGABRO Cn1cc(C[N@@H+]2CC[C@H](C(=O)N3CCCCC3)C2)c2cc(F)ccc21 ZINC000019747929 212061529 /nfs/dbraw/zinc/06/15/29/212061529.db2.gz XFJZPVIGZNMHBM-HNNXBMFYSA-N 1 0 343.446 3.152 40 0 EGABRO CC(C)(C)c1cc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)no1 ZINC000262147386 244825338 /nfs/dbraw/zinc/82/53/38/244825338.db2.gz YORMGROWDDOABR-UHFFFAOYSA-N 1 0 334.445 3.148 40 0 EGABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccno1 ZINC000019589116 212048647 /nfs/dbraw/zinc/04/86/47/212048647.db2.gz PBCYZJXPNQFLNG-SCTDSRPQSA-N 1 0 339.439 3.157 40 0 EGABRO CCC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019499275 212033689 /nfs/dbraw/zinc/03/36/89/212033689.db2.gz ZNYTWEUOPIDIIV-RDJZCZTQSA-N 1 0 344.484 3.018 40 0 EGABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]nc4nccnc43)C2)c(F)c1 ZINC000019293062 212013260 /nfs/dbraw/zinc/01/32/60/212013260.db2.gz ZCGHNEJVWYNEHR-GFCCVEGCSA-N 1 0 329.354 3.011 40 0 EGABRO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000078552850 217074132 /nfs/dbraw/zinc/07/41/32/217074132.db2.gz JBQCJEZJCKXRMC-UHFFFAOYSA-N 1 0 348.385 3.086 40 0 EGABRO CCn1nc(C)c(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1C ZINC000078552490 217074170 /nfs/dbraw/zinc/07/41/70/217074170.db2.gz AUWVGTUMKJDNEZ-INIZCTEOSA-N 1 0 341.377 3.060 40 0 EGABRO CC/C=C(/C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000079096395 217191937 /nfs/dbraw/zinc/19/19/37/217191937.db2.gz POMGNADPRAIGOH-QOTSWMAJSA-N 1 0 330.472 3.359 40 0 EGABRO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1Oc1ccncc1 ZINC000079361768 217216466 /nfs/dbraw/zinc/21/64/66/217216466.db2.gz HONKKXNBSCADNX-INIZCTEOSA-N 1 0 339.439 3.206 40 0 EGABRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccco2)[C@@H]1c1cccs1 ZINC000080564620 217313913 /nfs/dbraw/zinc/31/39/13/217313913.db2.gz IBICKUORQFEJNB-CZUORRHYSA-N 1 0 333.457 3.223 40 0 EGABRO C[NH+](C)CCCNC(=O)CSCc1c(Cl)cccc1Cl ZINC000013646422 211598412 /nfs/dbraw/zinc/59/84/12/211598412.db2.gz DTJMWDLHEPCTFP-UHFFFAOYSA-N 1 0 335.300 3.295 40 0 EGABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)[nH]c2ccc(C)cc21 ZINC000012362732 211355858 /nfs/dbraw/zinc/35/58/58/211355858.db2.gz KKZLQGJVMRLIPY-INIZCTEOSA-N 1 0 327.472 3.318 40 0 EGABRO Cc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000012327770 211349298 /nfs/dbraw/zinc/34/92/98/211349298.db2.gz VKBSLWNCHMXRLL-LJQANCHMSA-N 1 0 329.415 3.151 40 0 EGABRO Cc1cccc(C2(O)CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000012292401 211335701 /nfs/dbraw/zinc/33/57/01/211335701.db2.gz WPWBTWTZRIAURU-LJQANCHMSA-N 1 0 329.415 3.151 40 0 EGABRO Cc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1C ZINC000012292198 211335557 /nfs/dbraw/zinc/33/55/57/211335557.db2.gz FTIVGKMECRUEGM-HXUWFJFHSA-N 1 0 343.442 3.460 40 0 EGABRO Cc1cc(-c2cnc(NCCC[NH+](C)C)nc2-c2ccc(C)o2)on1 ZINC000012186023 211313260 /nfs/dbraw/zinc/31/32/60/211313260.db2.gz FLEDVNPPLVRBAI-UHFFFAOYSA-N 1 0 341.415 3.372 40 0 EGABRO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 ZINC000009861942 211128250 /nfs/dbraw/zinc/12/82/50/211128250.db2.gz QUWLSGPWMDGNIT-HRAATJIYSA-N 1 0 340.467 3.068 40 0 EGABRO O=C(Cc1ccccc1F)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000007923806 210864874 /nfs/dbraw/zinc/86/48/74/210864874.db2.gz ZJMUCWWZAJVTFH-UHFFFAOYSA-N 1 0 326.415 3.280 40 0 EGABRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000096435904 218814267 /nfs/dbraw/zinc/81/42/67/218814267.db2.gz OZZWIVVOCJYGRT-FQEVSTJZSA-N 1 0 342.483 3.096 40 0 EGABRO CC(C)[NH+]1CCC(N(C)C(=O)C[C@](O)(c2ccccc2)C2CC2)CC1 ZINC000096485321 218861256 /nfs/dbraw/zinc/86/12/56/218861256.db2.gz HHXLVQINVBCGLX-NRFANRHFSA-N 1 0 344.499 3.006 40 0 EGABRO CC(C)[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCC(C)CC1 ZINC000004860143 210304414 /nfs/dbraw/zinc/30/44/14/210304414.db2.gz HBYHFBYHUYHEJY-SFHVURJKSA-N 1 0 327.476 3.345 40 0 EGABRO C[N@H+](CCOc1ccccc1F)[C@H]1CCCN(c2ccccc2)C1=O ZINC000078736583 132816970 /nfs/dbraw/zinc/81/69/70/132816970.db2.gz ATKJRVYSHWFKSK-SFHVURJKSA-N 1 0 342.414 3.332 40 0 EGABRO c1coc(C[NH+]2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)c1 ZINC000096037096 285563096 /nfs/dbraw/zinc/56/30/96/285563096.db2.gz PNPHUXQWZGIRNH-UHFFFAOYSA-N 1 0 348.450 3.238 40 0 EGABRO Brc1ccc(N2CC[C@@H]([NH2+]Cc3ccncc3)C2)cc1 ZINC000096403985 273473262 /nfs/dbraw/zinc/47/32/62/273473262.db2.gz BVXLTIFZVBVQDT-OAHLLOKOSA-N 1 0 332.245 3.213 40 0 EGABRO O=C(c1cccnc1)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096063571 275014283 /nfs/dbraw/zinc/01/42/83/275014283.db2.gz RVXXHJXHDZLPCP-UHFFFAOYSA-N 1 0 327.815 3.017 40 0 EGABRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000110636255 276022510 /nfs/dbraw/zinc/02/25/10/276022510.db2.gz NYZQYVUBBAZJFI-QRFRQXIXSA-N 1 0 344.499 3.184 40 0 EGABRO CCN(C(=O)Cc1cccnc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000096410052 276062059 /nfs/dbraw/zinc/06/20/59/276062059.db2.gz SFLZGBKELHZEKC-PXNSSMCTSA-N 1 0 337.467 3.308 40 0 EGABRO Cc1nc(C)c(-c2csc(NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)n2)s1 ZINC000288554235 276227110 /nfs/dbraw/zinc/22/71/10/276227110.db2.gz GEORCVNKBFFAKD-LDYMZIIASA-N 1 0 336.486 3.210 40 0 EGABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21 ZINC000096241885 277232425 /nfs/dbraw/zinc/23/24/25/277232425.db2.gz DIBXHKLDBWQECN-GOSISDBHSA-N 1 0 349.478 3.239 40 0 EGABRO CN1CN(c2ccccc2)C2(CC[NH+](CCCCCCF)CC2)C1=O ZINC000001641811 290259838 /nfs/dbraw/zinc/25/98/38/290259838.db2.gz RDUKHMZMKUMTGI-UHFFFAOYSA-N 1 0 347.478 3.287 40 0 EGABRO COc1ccc2c(c1OC)[C@@]1(CC[NH+](C)C)CC(=O)CC[C@H]1C=C2 ZINC000001560172 295278003 /nfs/dbraw/zinc/27/80/03/295278003.db2.gz ZZYRTKUDKQIIKW-QRWLVFNGSA-N 1 0 329.440 3.289 40 0 EGABRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000252486308 455810864 /nfs/dbraw/zinc/81/08/64/455810864.db2.gz IDJKISDLUCAMFQ-HFBAOOFYSA-N 1 0 331.428 3.014 40 0 EGABRO C[C@H]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H](c2ccco2)C1 ZINC000097099184 323214843 /nfs/dbraw/zinc/21/48/43/323214843.db2.gz YMWJSNXPNPLHKF-LSDHHAIUSA-N 1 0 345.447 3.043 40 0 EGABRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000390833578 324283177 /nfs/dbraw/zinc/28/31/77/324283177.db2.gz JPZYEZVFJYQNAQ-MNOVXSKESA-N 1 0 343.258 3.479 40 0 EGABRO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000180847564 455255280 /nfs/dbraw/zinc/25/52/80/455255280.db2.gz ZVKMZVYRPYPLMF-SCLBCKFNSA-N 1 0 348.878 3.096 40 0 EGABRO COc1ccc2[nH]cc(C3CC[NH+](CCc4ccnn4C)CC3)c2c1 ZINC000241590539 455268619 /nfs/dbraw/zinc/26/86/19/455268619.db2.gz PFTOTKFDJCNTPP-UHFFFAOYSA-N 1 0 338.455 3.332 40 0 EGABRO CCc1ccc([C@@H]2[C@H](C[NH3+])[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000242548808 455271435 /nfs/dbraw/zinc/27/14/35/455271435.db2.gz LUHRGBTUYABIJO-RCCFBDPRSA-N 1 0 349.883 3.417 40 0 EGABRO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(CSc2ccccc2)c1 ZINC000001587054 452670478 /nfs/dbraw/zinc/67/04/78/452670478.db2.gz HDYMWGSIFNKZLQ-UHFFFAOYSA-N 1 0 339.468 3.164 40 0 in-vitro EGABRO O=S(=O)(NCCC[NH2+]C1CCCCC1)c1ccc2ccccc2c1 ZINC000002631241 452710875 /nfs/dbraw/zinc/71/08/75/452710875.db2.gz NFFKUWHXGPUXHU-UHFFFAOYSA-N 1 0 346.496 3.431 40 0 EGABRO O=C(COc1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007696784 453104930 /nfs/dbraw/zinc/10/49/30/453104930.db2.gz PSTSNZNHIHZQKW-UHFFFAOYSA-N 1 0 338.451 3.368 40 0 EGABRO O=C(COc1ccccc1F)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011863 453148799 /nfs/dbraw/zinc/14/87/99/453148799.db2.gz QUASRIJYEDUWQZ-UHFFFAOYSA-N 1 0 342.414 3.117 40 0 EGABRO CCOc1cc(C[NH2+]C[C@H]2CCCO2)cc(Br)c1OC ZINC000008253619 453181364 /nfs/dbraw/zinc/18/13/64/453181364.db2.gz QQCALNZJMHQPSX-GFCCVEGCSA-N 1 0 344.249 3.125 40 0 EGABRO Cc1cccc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000008430008 453205490 /nfs/dbraw/zinc/20/54/90/453205490.db2.gz GPGQHFXXWOEQGZ-UHFFFAOYSA-N 1 0 338.451 3.286 40 0 EGABRO COc1cc(C=O)ccc1OCCC[N@@H+]1CCc2ccccc2C1 ZINC000008731583 453229485 /nfs/dbraw/zinc/22/94/85/453229485.db2.gz IMSADFWUIDKLSV-UHFFFAOYSA-N 1 0 325.408 3.335 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(OC)cc(OC)c1 ZINC000010543037 453295587 /nfs/dbraw/zinc/29/55/87/453295587.db2.gz HODXLPQGEQGAPX-MRXNPFEDSA-N 1 0 334.460 3.088 40 0 EGABRO O=C(C1CCC1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294282 453655166 /nfs/dbraw/zinc/65/51/66/453655166.db2.gz OBKGBTHNDKCZBT-OTWHNJEPSA-N 1 0 330.447 3.452 40 0 EGABRO C[NH+](C)Cc1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000024808353 453748196 /nfs/dbraw/zinc/74/81/96/453748196.db2.gz FSZIJTKGDLGOPV-UHFFFAOYSA-N 1 0 341.436 3.045 40 0 EGABRO Cc1ccc(N2CC[NH+](C[C@@H](O)CSc3ccccc3)CC2)cc1 ZINC000031666916 453851239 /nfs/dbraw/zinc/85/12/39/453851239.db2.gz SJBDPFFGRRTSAO-LJQANCHMSA-N 1 0 342.508 3.270 40 0 EGABRO COc1ccc(C(=O)[C@@H]2SC(=[NH2+])N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000033665191 453916744 /nfs/dbraw/zinc/91/67/44/453916744.db2.gz LRNIPQIMNMMAAB-NVXWUHKLSA-N 1 0 342.420 3.058 40 0 EGABRO COc1cccc(C(=O)N(C)C2CC[NH+](C3CCC(C)CC3)CC2)n1 ZINC000084089078 453968740 /nfs/dbraw/zinc/96/87/40/453968740.db2.gz OHAOWNZHLFZVMO-UHFFFAOYSA-N 1 0 345.487 3.205 40 0 EGABRO CCc1oc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1C ZINC000095461554 454216514 /nfs/dbraw/zinc/21/65/14/454216514.db2.gz IGVWBGHFPVAQPM-UHFFFAOYSA-N 1 0 342.439 3.359 40 0 EGABRO S=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000046103204 454220042 /nfs/dbraw/zinc/22/00/42/454220042.db2.gz SSYXUKNXPXPBBP-UHFFFAOYSA-N 1 0 325.481 3.421 40 0 EGABRO Fc1ccccc1C[N@@H+]1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096042478 454267736 /nfs/dbraw/zinc/26/77/36/454267736.db2.gz VWYNJLJGGBPJHH-AQNXPRMDSA-N 1 0 342.414 3.169 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)o1 ZINC000096046948 454269235 /nfs/dbraw/zinc/26/92/35/454269235.db2.gz GQLFXZFTIZQMRY-HXUWFJFHSA-N 1 0 325.456 3.471 40 0 EGABRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccncc4)C3)C2=O)c1 ZINC000096050580 454272409 /nfs/dbraw/zinc/27/24/09/454272409.db2.gz SQLIVIXTUBQYTF-OAQYLSRUSA-N 1 0 335.451 3.015 40 0 EGABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21 ZINC000096053189 454272519 /nfs/dbraw/zinc/27/25/19/454272519.db2.gz UNJBFAYGNRCDRM-QGZVFWFLSA-N 1 0 342.483 3.276 40 0 EGABRO FC1(F)CC[N@H+](Cc2cccnc2)C[C@]12CCN(c1ccccn1)C2 ZINC000096051157 454272927 /nfs/dbraw/zinc/27/29/27/454272927.db2.gz FLJQMBPRQVQEOG-SFHVURJKSA-N 1 0 344.409 3.214 40 0 EGABRO Cc1ccsc1C[N@@H+]1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000096065893 454278953 /nfs/dbraw/zinc/27/89/53/454278953.db2.gz JCQHFCOLHBSMOV-JENIJYKNSA-N 1 0 344.480 3.400 40 0 EGABRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C)nn2)CC3)cs1 ZINC000096075304 454280326 /nfs/dbraw/zinc/28/03/26/454280326.db2.gz JHAXHCSALRAAQJ-UHFFFAOYSA-N 1 0 343.500 3.185 40 0 EGABRO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc2ccccc2o1 ZINC000090116345 454281825 /nfs/dbraw/zinc/28/18/25/454281825.db2.gz DZNHDPNYEXQCRE-ZFWWWQNUSA-N 1 0 338.411 3.013 40 0 EGABRO c1coc(C[NH+]2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)c1 ZINC000096106079 454283394 /nfs/dbraw/zinc/28/33/94/454283394.db2.gz PZRWLNNODAXTID-GOSISDBHSA-N 1 0 328.412 3.125 40 0 EGABRO c1coc(C[NH+]2CCC3(C[C@@H](OCc4ccncc4)CO3)CC2)c1 ZINC000096106813 454284593 /nfs/dbraw/zinc/28/45/93/454284593.db2.gz FAFFUCBCSLASFJ-GOSISDBHSA-N 1 0 328.412 3.015 40 0 EGABRO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2)[C@H]1Cc1cccnc1 ZINC000096200845 454302073 /nfs/dbraw/zinc/30/20/73/454302073.db2.gz VXZSGRPHFJELMY-MSOLQXFVSA-N 1 0 343.858 3.122 40 0 EGABRO O=C(Nc1ccccc1)N1CCC2(C[NH+](Cc3ccc(O)cc3)C2)C1 ZINC000096202463 454303020 /nfs/dbraw/zinc/30/30/20/454303020.db2.gz GXNUWWYAAFCNOS-UHFFFAOYSA-N 1 0 337.423 3.132 40 0 EGABRO COC[C@H]1CCC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)[N@@H+]1C ZINC000096209277 454306278 /nfs/dbraw/zinc/30/62/78/454306278.db2.gz MHWJRGPVYZGZRB-OAHLLOKOSA-N 1 0 336.501 3.080 40 0 EGABRO CCc1ccc(C[NH+]2CCC3(C[C@H](NC(=O)C(C)C)CO3)CC2)cc1 ZINC000096220689 454307465 /nfs/dbraw/zinc/30/74/65/454307465.db2.gz QYBFCZYJNMXPEW-IBGZPJMESA-N 1 0 344.499 3.145 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccccc2)C[C@@]12CCN(c1ncccn1)C2 ZINC000096239682 454311920 /nfs/dbraw/zinc/31/19/20/454311920.db2.gz DAKBFDRGPWJNAT-GOSISDBHSA-N 1 0 344.409 3.214 40 0 EGABRO Cc1ccc(CN2CCO[C@H]3C[N@H+](Cc4ccc(C)c(C)c4)C[C@H]32)o1 ZINC000096248803 454312076 /nfs/dbraw/zinc/31/20/76/454312076.db2.gz KNWSIMUUNLVCLX-RTWAWAEBSA-N 1 0 340.467 3.290 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC000096255357 454313345 /nfs/dbraw/zinc/31/33/45/454313345.db2.gz GQAGRJDKTCPCDU-UHFFFAOYSA-N 1 0 334.423 3.349 40 0 EGABRO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000096414430 454331681 /nfs/dbraw/zinc/33/16/81/454331681.db2.gz XUOJEJSVBJBSSH-ZFWWWQNUSA-N 1 0 342.405 3.342 40 0 EGABRO Cn1cncc1C[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000191101203 455442644 /nfs/dbraw/zinc/44/26/44/455442644.db2.gz GHIUAAJNVKLGQU-UHFFFAOYSA-N 1 0 327.325 3.399 40 0 EGABRO Cc1csc(N2CCC([NH2+]C[C@@](C)(O)c3ccc(F)cc3)CC2)n1 ZINC000090891106 454349155 /nfs/dbraw/zinc/34/91/55/454349155.db2.gz YKDBVFXKEQMLFS-GOSISDBHSA-N 1 0 349.475 3.057 40 0 EGABRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000096443553 454352217 /nfs/dbraw/zinc/35/22/17/454352217.db2.gz RHKXBQKADZSMCO-ZIAGYGMSSA-N 1 0 331.485 3.072 40 0 EGABRO CC(C)(C)OC(=O)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000096484348 454365993 /nfs/dbraw/zinc/36/59/93/454365993.db2.gz YKNYBBXOYYPXBJ-ZWKOTPCHSA-N 1 0 330.472 3.358 40 0 EGABRO C[N@H+](Cc1cncs1)C1CCN(c2ncnc3ccccc32)CC1 ZINC000096490025 454368758 /nfs/dbraw/zinc/36/87/58/454368758.db2.gz QVWMMSWFFMCDOK-UHFFFAOYSA-N 1 0 339.468 3.187 40 0 EGABRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Nc1c(F)cc(F)cc1Cl ZINC000110699923 454852223 /nfs/dbraw/zinc/85/22/23/454852223.db2.gz FDJVTCHRMWLIHS-NOZJJQNGSA-N 1 0 331.794 3.422 40 0 EGABRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c(OC)c1 ZINC000127013000 454932913 /nfs/dbraw/zinc/93/29/13/454932913.db2.gz VTINTJNGDWCKSW-ZBFHGGJFSA-N 1 0 346.471 3.146 40 0 EGABRO C[NH+]1CCC(NC(=O)CSCc2c(Cl)cccc2Cl)CC1 ZINC000113932988 454938986 /nfs/dbraw/zinc/93/89/86/454938986.db2.gz GBQKSXAQLMEAKW-UHFFFAOYSA-N 1 0 347.311 3.437 40 0 EGABRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(Cl)c[nH]2)CC1 ZINC000155398159 454997057 /nfs/dbraw/zinc/99/70/57/454997057.db2.gz AAGHPQPDZWEBNI-LBPRGKRZSA-N 1 0 332.835 3.019 40 0 EGABRO CCCCOc1ccc(CC=CC2SC(=O)N(CC[NH3+])C2=O)cc1 ZINC000118239821 455101380 /nfs/dbraw/zinc/10/13/80/455101380.db2.gz MPZXLTZVPUSTFY-OMCISZLKSA-N 1 0 348.468 3.336 40 0 EGABRO CCC[C@@H]([NH2+][C@@H](C)c1c[nH]nc1C)C(=O)N1CCc2sccc2C1 ZINC000180407214 455164876 /nfs/dbraw/zinc/16/48/76/455164876.db2.gz BCMQNJNIUNOMKN-BLLLJJGKSA-N 1 0 346.500 3.184 40 0 EGABRO COC[C@H]1CN(C(C)=O)CC12CC[NH+](Cc1cc(C)cc(C)c1)CC2 ZINC000247827251 455649099 /nfs/dbraw/zinc/64/90/99/455649099.db2.gz GEBZQVVDQDTELO-HXUWFJFHSA-N 1 0 344.499 3.010 40 0 EGABRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1cc2ccccc2s1 ZINC000249200132 455745852 /nfs/dbraw/zinc/74/58/52/455745852.db2.gz SPTMVSHULUINCB-CFVMTHIKSA-N 1 0 332.469 3.188 40 0 EGABRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)C1 ZINC000252587395 455822343 /nfs/dbraw/zinc/82/23/43/455822343.db2.gz XXPXCJDQOBXUOB-RBSFLKMASA-N 1 0 327.515 3.031 40 0 EGABRO Cc1nc(C2CC2)oc1C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000253420638 455843977 /nfs/dbraw/zinc/84/39/77/455843977.db2.gz ZIWSHANXQKELEB-GUYCJALGSA-N 1 0 339.439 3.253 40 0 EGABRO C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@H]2[NH2+]CCN ZINC000253531187 455851329 /nfs/dbraw/zinc/85/13/29/455851329.db2.gz UCLYPBSPTCWPOQ-GAJPOIFQSA-N 1 0 334.548 3.307 40 0 biogenic EGABRO CN(CCO)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[NH2+]1 ZINC000257245407 455880269 /nfs/dbraw/zinc/88/02/69/455880269.db2.gz IPIULMMZKFJEML-AWEZNQCLSA-N 1 0 346.496 3.040 40 0 EGABRO Cc1cc2c[nH+]cn2c([C@H]2CCCCN2C(=O)Cc2cccs2)n1 ZINC000257288840 455883900 /nfs/dbraw/zinc/88/39/00/455883900.db2.gz PVYKVSIJHODCEY-MRXNPFEDSA-N 1 0 340.452 3.396 40 0 EGABRO Nc1nccnc1C[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000257299062 455886916 /nfs/dbraw/zinc/88/69/16/455886916.db2.gz ROOYPVXHZFVUCR-OAHLLOKOSA-N 1 0 333.439 3.062 40 0 EGABRO Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cccc(F)c3)C2)[nH+]1 ZINC000257328121 455893305 /nfs/dbraw/zinc/89/33/05/455893305.db2.gz XEFYLPRJQGVDCO-HNNXBMFYSA-N 1 0 327.403 3.225 40 0 EGABRO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)on1 ZINC000257329684 455893524 /nfs/dbraw/zinc/89/35/24/455893524.db2.gz XLAOXBDRUQWOSA-WITVHBPWSA-N 1 0 331.460 3.275 40 0 EGABRO C[NH+]1CCC(Cc2ccccc2)(C(=O)N2CCC(F)(F)CC2)CC1 ZINC000257343023 455895577 /nfs/dbraw/zinc/89/55/77/455895577.db2.gz ZRCNWPWTAWVSEH-UHFFFAOYSA-N 1 0 336.426 3.199 40 0 EGABRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000195542475 455982157 /nfs/dbraw/zinc/98/21/57/455982157.db2.gz KLEVRZSIYHMWCN-MJGOQNOKSA-N 1 0 340.492 3.197 40 0 EGABRO Cc1ccc2ncc(C[NH+]3CCC(n4cc(Cl)cn4)CC3)n2c1 ZINC000195556564 455984961 /nfs/dbraw/zinc/98/49/61/455984961.db2.gz TWRUYJSAFMIIQK-UHFFFAOYSA-N 1 0 329.835 3.330 40 0 EGABRO CCN(C)C(=O)C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000225485792 456087368 /nfs/dbraw/zinc/08/73/68/456087368.db2.gz VRCZWRCCGCYPCH-ZDUSSCGKSA-N 1 0 331.279 3.030 40 0 EGABRO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccccc1F ZINC000225576542 456095363 /nfs/dbraw/zinc/09/53/63/456095363.db2.gz ZAVCRFXEVYOJJZ-CQSZACIVSA-N 1 0 337.464 3.165 40 0 EGABRO c1coc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306135051 456566661 /nfs/dbraw/zinc/56/66/61/456566661.db2.gz OFXGKGVPTFRISS-QGZVFWFLSA-N 1 0 345.406 3.374 40 0 EGABRO FC(F)c1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000390822695 457442390 /nfs/dbraw/zinc/44/23/90/457442390.db2.gz GYQVHDNYCBQPSQ-UHFFFAOYSA-N 1 0 344.369 3.432 40 0 EGABRO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccco1)C2 ZINC000503832923 458726798 /nfs/dbraw/zinc/72/67/98/458726798.db2.gz YBJIHEIWDGJRLF-WBVHZDCISA-N 1 0 338.398 3.186 40 0 EGABRO O=S1(=O)CCC(CC[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527688547 459701581 /nfs/dbraw/zinc/70/15/81/459701581.db2.gz PUEOBPVXTMSHBW-UHFFFAOYSA-N 1 0 341.420 3.071 40 0 EGABRO CC[C@H](C)[N@@H+]1CCOC[C@@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585103639 459823670 /nfs/dbraw/zinc/82/36/70/459823670.db2.gz DZDZEJYYNNLVES-QKLQHJQFSA-N 1 0 330.472 3.097 40 0 EGABRO CCCC[N@@H+]1CCOC[C@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585104171 459824069 /nfs/dbraw/zinc/82/40/69/459824069.db2.gz KARFDFLZSABCRA-FXAWDEMLSA-N 1 0 330.472 3.099 40 0 EGABRO CCOC[C@H]1CC[N@H+](C)C2(CN(Cc3ccc4ccccc4n3)C2)C1 ZINC000585103084 459824079 /nfs/dbraw/zinc/82/40/79/459824079.db2.gz PTBCBYGJZZPANP-KRWDZBQOSA-N 1 0 339.483 3.168 40 0 EGABRO c1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)cc1 ZINC000585104322 459824253 /nfs/dbraw/zinc/82/42/53/459824253.db2.gz HDPLVMFQMJVWDD-GOSISDBHSA-N 1 0 326.465 3.358 40 0 EGABRO O=c1cc(-c2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)cc[nH]1 ZINC000585141764 459829904 /nfs/dbraw/zinc/82/99/04/459829904.db2.gz XRBKHBRKHAQMBX-MRXNPFEDSA-N 1 0 336.395 3.217 40 0 EGABRO C[N@H+](CCc1ccncc1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585288783 459833481 /nfs/dbraw/zinc/83/34/81/459833481.db2.gz JABPWWADDYCYJE-XUVXKRRUSA-N 1 0 344.430 3.056 40 0 EGABRO O=C(NCC1CC[NH+]([C@H]2CCOC2)CC1)c1cc2ccccc2s1 ZINC000575605874 459979562 /nfs/dbraw/zinc/97/95/62/459979562.db2.gz HTNCWEMUOSVYOE-INIZCTEOSA-N 1 0 344.480 3.132 40 0 EGABRO C[N@@H+]1CCCC[C@H](CNC(=O)NCc2ccc(C3CC3)cc2F)C1 ZINC000624099291 460859387 /nfs/dbraw/zinc/85/93/87/460859387.db2.gz KZEKEECCQAQNNC-CQSZACIVSA-N 1 0 333.451 3.234 40 0 EGABRO Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@H]2C[NH3+])cc1 ZINC000218575804 518189514 /nfs/dbraw/zinc/18/95/14/518189514.db2.gz MSSKORCPQJSSRX-IXDOHACOSA-N 1 0 335.856 3.163 40 0 EGABRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2(C)CCOCC2)C1 ZINC000131362371 526482234 /nfs/dbraw/zinc/48/22/34/526482234.db2.gz AUTXKEZBAZITOS-HUUCEWRRSA-N 1 0 326.481 3.229 40 0 EGABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000216234062 535818188 /nfs/dbraw/zinc/81/81/88/535818188.db2.gz USHCJXMIVMNYEZ-QGZVFWFLSA-N 1 0 338.879 3.490 40 0 EGABRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccnc(N)c1 ZINC000193342850 536360022 /nfs/dbraw/zinc/36/00/22/536360022.db2.gz AVSPKSNEWWFAKP-UHFFFAOYSA-N 1 0 339.418 3.258 40 0 EGABRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc([S@](C)=O)cc1 ZINC000090666684 546660250 /nfs/dbraw/zinc/66/02/50/546660250.db2.gz JDZSPHJFZJFCBR-DJNLSKAYSA-N 1 0 345.390 3.027 40 0 EGABRO COc1cccc(N2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)c1 ZINC000678122083 549400723 /nfs/dbraw/zinc/40/07/23/549400723.db2.gz FTEPYZNWCDSHEG-QGZVFWFLSA-N 1 0 338.451 3.384 40 0 EGABRO Cn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cccc(-c3ccccn3)c2)cn1 ZINC000585087275 564133955 /nfs/dbraw/zinc/13/39/55/564133955.db2.gz OXCURKCTPBDTLC-GHTZIAJQSA-N 1 0 348.450 3.350 40 0 EGABRO O=C1N[C@@]2(C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)Nc2ccccc21 ZINC000100208132 219094238 /nfs/dbraw/zinc/09/42/38/219094238.db2.gz GCDQDEGRKPDDRC-UPHUGPLXSA-N 1 0 333.435 3.365 40 0 EGABRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000066055333 215004985 /nfs/dbraw/zinc/00/49/85/215004985.db2.gz ZTZWBICGABZDQN-RBUKOAKNSA-N 1 0 337.419 3.181 40 0 EGABRO CC(C)c1ccc(OCCOC[C@@H](O)C[NH+]2CCCCCC2)cc1 ZINC000040373364 213293055 /nfs/dbraw/zinc/29/30/55/213293055.db2.gz BLJSRFQUGSVSHV-IBGZPJMESA-N 1 0 335.488 3.442 40 0 EGABRO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C1 ZINC000249413184 282912007 /nfs/dbraw/zinc/91/20/07/282912007.db2.gz YNHLVYJCDLCJSA-RDBSUJKOSA-N 1 0 328.382 3.156 40 0 EGABRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cnn(C(C)(C)C)c1 ZINC000183396624 235048169 /nfs/dbraw/zinc/04/81/69/235048169.db2.gz PSWAXIAVMHAQMB-YJBOKZPZSA-N 1 0 327.476 3.356 40 0 EGABRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 ZINC000183564937 235142437 /nfs/dbraw/zinc/14/24/37/235142437.db2.gz FUYMNNJYXHXJAV-GOEBONIOSA-N 1 0 326.481 3.181 40 0 EGABRO O=C(C[NH2+]Cc1cccs1)Nc1cccc(Br)c1 ZINC000037466987 213149337 /nfs/dbraw/zinc/14/93/37/213149337.db2.gz WEUFKSCGIMBWBT-UHFFFAOYSA-N 1 0 325.231 3.239 40 0 EGABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)CC1 ZINC000035446465 213028175 /nfs/dbraw/zinc/02/81/75/213028175.db2.gz PMSHUKMNCNQAEL-ZDUSSCGKSA-N 1 0 347.846 3.281 40 0 biogenic,in-vitro EGABRO CC(C)C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(-n3ccnc3)nc2)no1 ZINC000035425755 213027134 /nfs/dbraw/zinc/02/71/34/213027134.db2.gz IUCJFIOKTDIULZ-HNNXBMFYSA-N 1 0 338.415 3.110 40 0 biogenic,in-vitro EGABRO COCC[N@@H+]1CCCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072376820 216179577 /nfs/dbraw/zinc/17/95/77/216179577.db2.gz IPSJWOVWMQEHOX-INIZCTEOSA-N 1 0 330.407 3.038 40 0 EGABRO O=c1cc(C2CC[NH+](Cc3ccccn3)CC2)nc(-c2cccnc2)[nH]1 ZINC000072392766 216191091 /nfs/dbraw/zinc/19/10/91/216191091.db2.gz HJKGJRMRTGJPED-UHFFFAOYSA-N 1 0 347.422 3.019 40 0 EGABRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000129751920 223087507 /nfs/dbraw/zinc/08/75/07/223087507.db2.gz NQXVAMQVSMBPIZ-ZDUSSCGKSA-N 1 0 344.286 3.129 40 0 EGABRO CC[C@@H](OC1CCCC1)C(=O)Nc1cc(C)nn1-c1cc[nH+]cc1 ZINC000072535185 216270390 /nfs/dbraw/zinc/27/03/90/216270390.db2.gz YPSICMWYQXTYJZ-MRXNPFEDSA-N 1 0 328.416 3.252 40 0 EGABRO C[NH+](C)C1(CNC(=O)c2cncn2-c2ccccc2)CCCCCC1 ZINC000025443520 212480654 /nfs/dbraw/zinc/48/06/54/212480654.db2.gz DPFYYKMIRYLJNU-UHFFFAOYSA-N 1 0 340.471 3.257 40 0 EGABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)/C=C/c1ccc(Cl)cc1 ZINC000073642543 216405078 /nfs/dbraw/zinc/40/50/78/216405078.db2.gz RJFKPCBEIOGTMR-FPYGCLRLSA-N 1 0 325.799 3.401 40 0 EGABRO COc1ccc(CC(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000023127946 212352486 /nfs/dbraw/zinc/35/24/86/212352486.db2.gz GHBGQQZEJCNSRV-UHFFFAOYSA-N 1 0 330.472 3.009 40 0 EGABRO C[C@]12C[C@@H](c3ccccc3Br)[NH2+][C@H]1CCCCC(=O)N2 ZINC000212420584 241087470 /nfs/dbraw/zinc/08/74/70/241087470.db2.gz OPDYIZPGGDXGDF-DZKIICNBSA-N 1 0 337.261 3.301 40 0 EGABRO CC[C@H](Oc1ccccc1C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000216285472 241181330 /nfs/dbraw/zinc/18/13/30/241181330.db2.gz DMEVBVYVMYZTHX-SFHVURJKSA-N 1 0 332.488 3.391 40 0 EGABRO Clc1ccc(-c2ccc3nnc([C@H]4CC[NH2+]C4)n3n2)c(Cl)c1 ZINC000217558685 241258819 /nfs/dbraw/zinc/25/88/19/241258819.db2.gz HJTHJWSHMGXKAJ-VIFPVBQESA-N 1 0 334.210 3.175 40 0 EGABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(F)c(F)c2)C1 ZINC000225736868 242012787 /nfs/dbraw/zinc/01/27/87/242012787.db2.gz UPNANXRQXSWBAL-GFCCVEGCSA-N 1 0 327.444 3.373 40 0 EGABRO c1cc2n(n1)[C@H](CCOCc1ccccn1)C[N@@H+](C1CCCC1)C2 ZINC000253588887 244027947 /nfs/dbraw/zinc/02/79/47/244027947.db2.gz XYFUJUFKNMQIBF-LJQANCHMSA-N 1 0 326.444 3.184 40 0 EGABRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000020450186 212129663 /nfs/dbraw/zinc/12/96/63/212129663.db2.gz YCPCSTZZGKQESG-OAHLLOKOSA-N 1 0 338.879 3.346 40 0 EGABRO C[C@@H]1C[N@H+](Cc2cccs2)CC[C@]12CC[C@@H](C(=O)N1CCCC1)O2 ZINC000253604168 244037596 /nfs/dbraw/zinc/03/75/96/244037596.db2.gz VLRRGWVMGZTWDZ-HHXXYDBFSA-N 1 0 348.512 3.130 40 0 EGABRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1CO ZINC000257217661 244173544 /nfs/dbraw/zinc/17/35/44/244173544.db2.gz CZZJSSMZUFOPJC-HNNXBMFYSA-N 1 0 332.469 3.414 40 0 EGABRO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257222488 244189869 /nfs/dbraw/zinc/18/98/69/244189869.db2.gz DTLWDBDHQUWTSY-CYBMUJFWSA-N 1 0 340.456 3.011 40 0 EGABRO Cc1c(C)n(CCC(=O)N2CC[C@@H]3[NH2+]CCCC[C@@H]32)c2ccccc12 ZINC000257232277 244216275 /nfs/dbraw/zinc/21/62/75/244216275.db2.gz GKDOASIALSUEHP-ICSRJNTNSA-N 1 0 339.483 3.391 40 0 EGABRO c1ccc(-c2nnc(CN3CC[NH+](C4CCCCC4)CC3)o2)cc1 ZINC000020027057 212094915 /nfs/dbraw/zinc/09/49/15/212094915.db2.gz HGXCGVUZIJPLMU-UHFFFAOYSA-N 1 0 326.444 3.187 40 0 EGABRO CN(C)c1nc([C@@]2(C)CCC[N@H+](Cc3cccnc3)C2)cn2cccc12 ZINC000257273718 244386351 /nfs/dbraw/zinc/38/63/51/244386351.db2.gz NHWMPKMUEJOLAB-NRFANRHFSA-N 1 0 349.482 3.349 40 0 EGABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)[nH]c(=O)c1C ZINC000019555363 212041043 /nfs/dbraw/zinc/04/10/43/212041043.db2.gz LCSRQXLBGNMPDW-AWEZNQCLSA-N 1 0 333.382 3.045 40 0 EGABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1cnc(OC)nc1 ZINC000019527206 212037893 /nfs/dbraw/zinc/03/78/93/212037893.db2.gz KLWHXNHOTUPJJB-INIZCTEOSA-N 1 0 346.500 3.033 40 0 EGABRO O=C(CCc1ccncc1)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019405071 212025546 /nfs/dbraw/zinc/02/55/46/212025546.db2.gz VXCZVZZMMSWCTR-LJQANCHMSA-N 1 0 329.488 3.271 40 0 EGABRO Cc1ccsc1C[N@@H+]1CCC[C@H](c2noc(-c3cnccn3)n2)C1 ZINC000019238636 212008903 /nfs/dbraw/zinc/00/89/03/212008903.db2.gz MYHDALXXXJETIC-ZDUSSCGKSA-N 1 0 341.440 3.276 40 0 EGABRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3)C2)c(OC)c1OC ZINC000078604201 217085715 /nfs/dbraw/zinc/08/57/15/217085715.db2.gz PWPBGLVZDFPWOR-MRXNPFEDSA-N 1 0 342.439 3.081 40 0 EGABRO OCC[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000078776835 217120539 /nfs/dbraw/zinc/12/05/39/217120539.db2.gz QRQNJXFZIQHWDD-LJQANCHMSA-N 1 0 326.440 3.398 40 0 EGABRO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1c(F)cccc1F ZINC000264273293 246273625 /nfs/dbraw/zinc/27/36/25/246273625.db2.gz HVVZEZXTANGZNF-KGLIPLIRSA-N 1 0 337.414 3.296 40 0 EGABRO Cc1ccccc1CSCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000013676053 211605530 /nfs/dbraw/zinc/60/55/30/211605530.db2.gz HEZZYRKBBHJRLN-UHFFFAOYSA-N 1 0 334.529 3.466 40 0 EGABRO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2cccs2)n1 ZINC000012185916 211313348 /nfs/dbraw/zinc/31/33/48/211313348.db2.gz RHYMOTCWRCHRPK-MRXNPFEDSA-N 1 0 345.468 3.218 40 0 EGABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000010276807 211160005 /nfs/dbraw/zinc/16/00/05/211160005.db2.gz DVDPKAOWJCOLGB-UHFFFAOYSA-N 1 0 325.250 3.055 40 0 EGABRO Clc1cc(Cl)cc(OCC[NH+]2CCC(n3cncn3)CC2)c1 ZINC000096424168 218791664 /nfs/dbraw/zinc/79/16/64/218791664.db2.gz QNNUHNAAPAFDAY-UHFFFAOYSA-N 1 0 341.242 3.301 40 0 EGABRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000097373758 219017111 /nfs/dbraw/zinc/01/71/11/219017111.db2.gz MGZNKUJCDLLXQN-GOSISDBHSA-N 1 0 326.444 3.268 40 0 EGABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[NH2+]CCN ZINC000118918954 221204258 /nfs/dbraw/zinc/20/42/58/221204258.db2.gz UCLYPBSPTCWPOQ-LWYCANNGSA-N 1 0 334.548 3.307 40 0 EGABRO C[NH+]1CCC2(CN(C(=O)c3cccnc3)c3ccc(Cl)cc32)CC1 ZINC000096161075 273873220 /nfs/dbraw/zinc/87/32/20/273873220.db2.gz CLAJTBHAENCBBS-UHFFFAOYSA-N 1 0 341.842 3.359 40 0 EGABRO CCOc1ccc([C@]2(O)[C@H](C)N3CCCC3=[N+]2c2ccccc2)cc1 ZINC000001497205 276376603 /nfs/dbraw/zinc/37/66/03/276376603.db2.gz NCWWLEWJLZCGQM-HRAATJIYSA-N 1 0 337.443 3.344 40 0 EGABRO COc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccc(Cl)cc3)cc2c1 ZINC000013999182 277940152 /nfs/dbraw/zinc/94/01/52/277940152.db2.gz HFOUASBOWWTPKG-UHFFFAOYSA-N 1 0 328.799 3.480 40 0 EGABRO Cc1ccccc1[N+]1=C2SCCCN2C[C@]1(O)c1ccc(F)cc1 ZINC000003227042 302104385 /nfs/dbraw/zinc/10/43/85/302104385.db2.gz HTJOXBZLFXWOEU-IBGZPJMESA-N 1 0 343.447 3.305 40 0 EGABRO CCSc1ccc([C@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000129891609 323219351 /nfs/dbraw/zinc/21/93/51/323219351.db2.gz RCPAIPNSRWVRPU-GJZGRUSLSA-N 1 0 335.517 3.453 40 0 EGABRO Cc1cc2cccnc2c(NC(=O)N2CCC([NH+]3CC=CC3)CC2)c1 ZINC000156984419 323222263 /nfs/dbraw/zinc/22/22/63/323222263.db2.gz OZEDYUKCSUCNPM-UHFFFAOYSA-N 1 0 336.439 3.411 40 0 EGABRO Cn1cc(C[NH2+][C@H]2CCOc3ccc(F)cc32)c(-c2cccnc2)n1 ZINC000189587994 455220563 /nfs/dbraw/zinc/22/05/63/455220563.db2.gz TWFXFQSSVQPJJN-KRWDZBQOSA-N 1 0 338.386 3.235 40 0 EGABRO c1ccc(N2CCN(C3CC[NH+]([C@@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1 ZINC000004109118 452793589 /nfs/dbraw/zinc/79/35/89/452793589.db2.gz NTMVEFPSIQONBD-NNMXDRDESA-N 1 0 339.527 3.462 40 0 EGABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000008337065 453193991 /nfs/dbraw/zinc/19/39/91/453193991.db2.gz PGZDGEWXDHBFAJ-GOSISDBHSA-N 1 0 329.440 3.443 40 0 EGABRO Cc1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008429955 453203236 /nfs/dbraw/zinc/20/32/36/453203236.db2.gz ILJXAHYVQKLTBD-UHFFFAOYSA-N 1 0 338.451 3.286 40 0 EGABRO COc1ccc(/C=C(/C(=O)NCCC[NH+](C)C)c2ccccc2)cc1 ZINC000010111342 453275135 /nfs/dbraw/zinc/27/51/35/453275135.db2.gz WPMJURFUKUMABG-CAPFRKAQSA-N 1 0 338.451 3.304 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(OC)cc(OC)c1 ZINC000010543039 453295976 /nfs/dbraw/zinc/29/59/76/453295976.db2.gz HODXLPQGEQGAPX-INIZCTEOSA-N 1 0 334.460 3.088 40 0 EGABRO O[C@]1(c2ccc(F)cc2)CCC[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000013266185 453456088 /nfs/dbraw/zinc/45/60/88/453456088.db2.gz JYZMRAZKRRPYGD-UXPWSPDFSA-N 1 0 326.415 3.340 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c(OC)cccc1OC ZINC000013647424 453477785 /nfs/dbraw/zinc/47/77/85/453477785.db2.gz KZNNJIPITKJPJU-OAHLLOKOSA-N 1 0 334.460 3.088 40 0 EGABRO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)C1CCCCC1 ZINC000015256844 453563372 /nfs/dbraw/zinc/56/33/72/453563372.db2.gz JZKMUDOUBSGEQA-CQSZACIVSA-N 1 0 329.444 3.015 40 0 EGABRO CCC[NH+](CCC)CCSc1nnc2c3cc(N)ccc3[nH]c2n1 ZINC000018996405 453653506 /nfs/dbraw/zinc/65/35/06/453653506.db2.gz WNRVREDLIUGYEX-UHFFFAOYSA-N 1 0 344.488 3.302 40 0 EGABRO CCOc1cc(C[NH2+]CCN(C)C)ccc1OCc1cccs1 ZINC000022076373 453686548 /nfs/dbraw/zinc/68/65/48/453686548.db2.gz KJJQTAZPCXVMBU-UHFFFAOYSA-N 1 0 334.485 3.377 40 0 EGABRO C[C@H]1Cc2cc(CN(CCC[NH+](C)C)Cc3ccccn3)ccc2O1 ZINC000057797233 454147080 /nfs/dbraw/zinc/14/70/80/454147080.db2.gz POZBVTMXHVSVJV-KRWDZBQOSA-N 1 0 339.483 3.359 40 0 EGABRO CC1CCC([N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)CC1 ZINC000058017038 454161110 /nfs/dbraw/zinc/16/11/10/454161110.db2.gz QXPFMRDNXAMFBZ-PCKAHOCUSA-N 1 0 343.471 3.261 40 0 EGABRO Cc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)n1 ZINC000096039806 454265760 /nfs/dbraw/zinc/26/57/60/454265760.db2.gz UVKUOMVUHHETHJ-WOJBJXKFSA-N 1 0 330.472 3.188 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](c4nc(C)no4)[C@H]3C2)s1 ZINC000096043443 454268612 /nfs/dbraw/zinc/26/86/12/454268612.db2.gz JKTASIIPWGWWRW-BZUAXINKSA-N 1 0 333.457 3.143 40 0 EGABRO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccc(C)o4)C3)C2)cc1 ZINC000096047620 454269418 /nfs/dbraw/zinc/26/94/18/454269418.db2.gz RYDSDZICONIUEZ-PXNSSMCTSA-N 1 0 342.439 3.442 40 0 EGABRO Fc1cnc(N2CCC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)nc1 ZINC000096047173 454270037 /nfs/dbraw/zinc/27/00/37/454270037.db2.gz XIHAUTCLUGHFLR-QGZVFWFLSA-N 1 0 332.448 3.170 40 0 EGABRO c1ccc(CO[C@@H]2COC3(C2)CC[NH+](Cc2ccncc2)CC3)cc1 ZINC000096047865 454271437 /nfs/dbraw/zinc/27/14/37/454271437.db2.gz WCNCXCIGHKHGDJ-FQEVSTJZSA-N 1 0 338.451 3.422 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096050723 454272503 /nfs/dbraw/zinc/27/25/03/454272503.db2.gz LHSVGRLEFAVCRZ-IBGZPJMESA-N 1 0 343.402 3.060 40 0 EGABRO COc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096053875 454273971 /nfs/dbraw/zinc/27/39/71/454273971.db2.gz LIKPMNUTMQLPQJ-RTBURBONSA-N 1 0 340.442 3.398 40 0 EGABRO CC(C)N(C)[C@@H]1CC[N@H+](CC2CCOCC2)[C@H]1Cc1ccccc1 ZINC000096061678 454276449 /nfs/dbraw/zinc/27/64/49/454276449.db2.gz DZQVOBFJTNHSIP-RTWAWAEBSA-N 1 0 330.516 3.439 40 0 EGABRO c1csc(CN2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)n1 ZINC000096075368 454279838 /nfs/dbraw/zinc/27/98/38/454279838.db2.gz ZNSVANJPCLUALF-UHFFFAOYSA-N 1 0 328.485 3.169 40 0 EGABRO Fc1cccnc1O[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096107024 454284166 /nfs/dbraw/zinc/28/41/66/454284166.db2.gz DRJXNFQDXFJQTF-OAHLLOKOSA-N 1 0 332.375 3.016 40 0 EGABRO c1cc(C[N@H+]2CC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)cs1 ZINC000096107634 454285483 /nfs/dbraw/zinc/28/54/83/454285483.db2.gz JTFDHFZONJECPW-ROUUACIJSA-N 1 0 330.453 3.093 40 0 EGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3cc(C)on3)CC[C@@H]2OC)cc1 ZINC000096110575 454287662 /nfs/dbraw/zinc/28/76/62/454287662.db2.gz GCFWIEKOSZVOQK-LPHOPBHVSA-N 1 0 330.428 3.071 40 0 EGABRO O=C1[C@@H]2CC[N@H+](Cc3cccs3)C[C@@H]2OCCN1c1ccsc1 ZINC000096206340 454304107 /nfs/dbraw/zinc/30/41/07/454304107.db2.gz SCOBEWSPLRYRGG-CVEARBPZSA-N 1 0 348.493 3.064 40 0 EGABRO O=C(C1CC1)N1CCC2(CC[C@H](COCC3CC3)[N@@H+]2CC2CC2)CC1 ZINC000096207334 454304246 /nfs/dbraw/zinc/30/42/46/454304246.db2.gz NGZJBLHLYKWNRA-LJQANCHMSA-N 1 0 346.515 3.059 40 0 EGABRO Cc1cnc(N[C@@H]2CCO[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)nc1 ZINC000096208521 454304289 /nfs/dbraw/zinc/30/42/89/454304289.db2.gz UFMALBZSBFBSGM-SJLPKXTDSA-N 1 0 344.484 3.082 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](Oc4ccccn4)CO3)CC2)o1 ZINC000096205990 454304478 /nfs/dbraw/zinc/30/44/78/454304478.db2.gz VSQPZOBSIWQUAG-QGZVFWFLSA-N 1 0 328.412 3.186 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)o1 ZINC000096209183 454305746 /nfs/dbraw/zinc/30/57/46/454305746.db2.gz IZSSLTRKTRSYCL-PMACEKPBSA-N 1 0 342.439 3.323 40 0 EGABRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4ccncc4)C3)CC2=O)s1 ZINC000096239338 454310332 /nfs/dbraw/zinc/31/03/32/454310332.db2.gz CUQYZOSCHGZKRV-GOSISDBHSA-N 1 0 327.453 3.081 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccccc2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096239720 454311623 /nfs/dbraw/zinc/31/16/23/454311623.db2.gz XKWNHACAZPYHFN-GOSISDBHSA-N 1 0 344.409 3.214 40 0 EGABRO Cc1nc(Cl)cc(NCc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000096429799 454341202 /nfs/dbraw/zinc/34/12/02/454341202.db2.gz YETBQYAHVKHMCR-UHFFFAOYSA-N 1 0 346.862 3.007 40 0 EGABRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2nccs2)[C@@H]1c1cccs1 ZINC000096433656 454344620 /nfs/dbraw/zinc/34/46/20/454344620.db2.gz AKUGBXNTCMXDRE-WCQYABFASA-N 1 0 336.486 3.409 40 0 EGABRO CC[N@@H+](Cc1c(C)noc1C)CC1CCN(c2ccccn2)CC1 ZINC000096441736 454351109 /nfs/dbraw/zinc/35/11/09/454351109.db2.gz BHGHJWTZLAFBOL-UHFFFAOYSA-N 1 0 328.460 3.425 40 0 EGABRO CS[C@H](C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485946 454367658 /nfs/dbraw/zinc/36/76/58/454367658.db2.gz RFDGLBVFWXPHQO-IXPVHAAZSA-N 1 0 344.883 3.340 40 0 EGABRO C[C@H]1C[C@H](CNC(=O)c2ccc(O)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000097100844 454406604 /nfs/dbraw/zinc/40/66/04/454406604.db2.gz ADKJFEHFRDJDMB-GOEBONIOSA-N 1 0 342.414 3.172 40 0 EGABRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000133534154 454436161 /nfs/dbraw/zinc/43/61/61/454436161.db2.gz MUGIYKFHIKGPRI-QGOKIACBSA-N 1 0 338.879 3.453 40 0 EGABRO O=C(/C=C/c1nc2ccccc2o1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000065607442 454601534 /nfs/dbraw/zinc/60/15/34/454601534.db2.gz PRVGTBSRSHTQQA-SXSDINLZSA-N 1 0 347.418 3.232 40 0 EGABRO Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCCC2)O3)s1 ZINC000108525367 454801792 /nfs/dbraw/zinc/80/17/92/454801792.db2.gz ALIZFWFXYUMKCJ-QFBILLFUSA-N 1 0 348.512 3.306 40 0 EGABRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Br)cc1F ZINC000127506712 454971458 /nfs/dbraw/zinc/97/14/58/454971458.db2.gz OWLNPRLSFIEJBZ-NOZJJQNGSA-N 1 0 334.254 3.107 40 0 EGABRO COc1cc(F)cc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000156220290 455094735 /nfs/dbraw/zinc/09/47/35/455094735.db2.gz HHQDOUXBSOKPGD-CQSZACIVSA-N 1 0 335.423 3.174 40 0 EGABRO CC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000245228467 455281247 /nfs/dbraw/zinc/28/12/47/455281247.db2.gz ZHIFIHIACTXESU-QWFCFKBJSA-N 1 0 331.456 3.284 40 0 EGABRO C[C@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H](C)c1ccccc1 ZINC000245478341 455310860 /nfs/dbraw/zinc/31/08/60/455310860.db2.gz VIMUUAWFLLFZKG-SQNIBIBYSA-N 1 0 329.488 3.306 40 0 EGABRO COCc1nc(CNc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)no1 ZINC000182492633 455525337 /nfs/dbraw/zinc/52/53/37/455525337.db2.gz GNCUTXSVIGXMHX-ZDUSSCGKSA-N 1 0 330.432 3.188 40 0 EGABRO C[C@@H](c1cnccn1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000185390610 455552907 /nfs/dbraw/zinc/55/29/07/455552907.db2.gz UDCZPTRWZMOKLD-RYUDHWBXSA-N 1 0 325.338 3.090 40 0 EGABRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cc2ccccc2s1 ZINC000249200133 455746356 /nfs/dbraw/zinc/74/63/56/455746356.db2.gz SPTMVSHULUINCB-QEJZJMRPSA-N 1 0 332.469 3.188 40 0 EGABRO CCn1cncc1C[N@@H+]1C[C@@H]2CCC[C@@](O)(c3ccc(F)cc3)[C@@H]2C1 ZINC000249701598 455767663 /nfs/dbraw/zinc/76/76/63/455767663.db2.gz YQYYLUYPHMUQTK-CWFSZBLJSA-N 1 0 343.446 3.162 40 0 EGABRO CO[C@H](C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 ZINC000252491260 455811723 /nfs/dbraw/zinc/81/17/23/455811723.db2.gz LJVKCLCTHLTMOT-VQIMIIECSA-N 1 0 332.488 3.247 40 0 EGABRO Fc1ccc(OC[C@@H]2CCCO2)c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000253369798 455835188 /nfs/dbraw/zinc/83/51/88/455835188.db2.gz IFUSBAMEZKLWQD-ULQDDVLXSA-N 1 0 334.435 3.422 40 0 EGABRO Cn1nccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000253428189 455846622 /nfs/dbraw/zinc/84/66/22/455846622.db2.gz CFJIHVLHZQYKNH-OXQOHEQNSA-N 1 0 349.438 3.024 40 0 EGABRO Cc1cnc(C[N@@H+]2CCOC[C@H](Cc3ccc4ccoc4c3)C2)cn1 ZINC000257285012 455882715 /nfs/dbraw/zinc/88/27/15/455882715.db2.gz PFGDECPZMGNOBI-QGZVFWFLSA-N 1 0 337.423 3.222 40 0 EGABRO Cc1c[nH]nc1[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000257286392 455882942 /nfs/dbraw/zinc/88/29/42/455882942.db2.gz PLKUAQYFKPQQCB-QGZVFWFLSA-N 1 0 326.444 3.147 40 0 EGABRO CNc1ncccc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1ncccn1 ZINC000257293489 455885378 /nfs/dbraw/zinc/88/53/78/455885378.db2.gz QPRLTPDGDDEFBK-JFIYKMOQSA-N 1 0 337.471 3.004 40 0 EGABRO CN(C)c1nc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)cn2cccc12 ZINC000257311492 455888786 /nfs/dbraw/zinc/88/87/86/455888786.db2.gz UJSGXYSKAJBFKI-QGZVFWFLSA-N 1 0 335.455 3.175 40 0 EGABRO O=C(c1ccsc1)N(c1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257311157 455889220 /nfs/dbraw/zinc/88/92/20/455889220.db2.gz UIFLOUWYGZPTMA-QGZVFWFLSA-N 1 0 342.464 3.306 40 0 EGABRO COc1ccc2ccccc2c1C[NH+]1CCC2(CC1)OCCC[C@H]2O ZINC000257324595 455891402 /nfs/dbraw/zinc/89/14/02/455891402.db2.gz WPJFHASFKYMQMR-HXUWFJFHSA-N 1 0 341.451 3.354 40 0 EGABRO COc1cccc2c1CCC[C@@H]2[NH2+]C1CCN(c2ncccn2)CC1 ZINC000194850509 455891358 /nfs/dbraw/zinc/89/13/58/455891358.db2.gz AUDJKZHHWNOJJF-SFHVURJKSA-N 1 0 338.455 3.121 40 0 EGABRO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(O)c1 ZINC000194864675 455893164 /nfs/dbraw/zinc/89/31/64/455893164.db2.gz OWTVOOQHQAHJGL-KUHUBIRLSA-N 1 0 340.423 3.361 40 0 EGABRO CCN(C(=O)c1cn[nH]c1[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000257336829 455893970 /nfs/dbraw/zinc/89/39/70/455893970.db2.gz YQFAZRLDGZSKHE-SHTZXODSSA-N 1 0 326.444 3.309 40 0 EGABRO COc1ccc(C[NH+]2CCC3(CC2)OCCC[C@H]3O)c2ccccc12 ZINC000257332109 455894647 /nfs/dbraw/zinc/89/46/47/455894647.db2.gz XVUQHEHVFZLCFN-HXUWFJFHSA-N 1 0 341.451 3.354 40 0 EGABRO CCOc1ccccc1NC(=S)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000260739902 455900133 /nfs/dbraw/zinc/90/01/33/455900133.db2.gz QGLNBUQSMYFDFK-HNNXBMFYSA-N 1 0 335.517 3.494 40 0 EGABRO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@@H](CO)C1 ZINC000195544176 455982004 /nfs/dbraw/zinc/98/20/04/455982004.db2.gz QQCQLJWBIRIREL-VHSXEESVSA-N 1 0 342.226 3.419 40 0 EGABRO C[C@H](CC[NH2+][C@@H](C)c1ccc(Br)cc1F)[S@](C)=O ZINC000215575544 456025442 /nfs/dbraw/zinc/02/54/42/456025442.db2.gz XRPXKFAWVUUINM-JJQCHNSYSA-N 1 0 336.270 3.396 40 0 EGABRO COc1cccc([C@H]2[C@H](NC(=O)N(C)C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000195555476 455985504 /nfs/dbraw/zinc/98/55/04/455985504.db2.gz RONXRPOSVLNUOV-MSOLQXFVSA-N 1 0 331.460 3.023 40 0 EGABRO CSc1nnc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000224402397 456066378 /nfs/dbraw/zinc/06/63/78/456066378.db2.gz CYEKVAPPZSFSMJ-UHFFFAOYSA-N 1 0 334.470 3.108 40 0 EGABRO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCCC1 ZINC000225115567 456073112 /nfs/dbraw/zinc/07/31/12/456073112.db2.gz HBXZMSUELSYYNN-FQEVSTJZSA-N 1 0 344.499 3.325 40 0 EGABRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1 ZINC000225643481 456100006 /nfs/dbraw/zinc/10/00/06/456100006.db2.gz SUCKEMZDVFWWAZ-LJQANCHMSA-N 1 0 334.460 3.161 40 0 EGABRO CCCC[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCN(C)CC2)cc1 ZINC000225692421 456104674 /nfs/dbraw/zinc/10/46/74/456104674.db2.gz ASAIRWNPADFDRV-KRWDZBQOSA-N 1 0 331.504 3.241 40 0 EGABRO CC[N@H+]1CC=C(c2nn3c(nnc3-c3ccccc3C)s2)CC1 ZINC000226250290 456107461 /nfs/dbraw/zinc/10/74/61/456107461.db2.gz YSAGPMOECPOCQC-UHFFFAOYSA-N 1 0 325.441 3.270 40 0 EGABRO c1coc(C[N@@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306143744 456570272 /nfs/dbraw/zinc/57/02/72/456570272.db2.gz YLFNFIALNDUYOC-OAQYLSRUSA-N 1 0 346.434 3.234 40 0 EGABRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)cc1 ZINC000277184250 456714693 /nfs/dbraw/zinc/71/46/93/456714693.db2.gz UDBWJLVIBDIZLR-OAHLLOKOSA-N 1 0 326.444 3.195 40 0 EGABRO COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000363521229 457355381 /nfs/dbraw/zinc/35/53/81/457355381.db2.gz YIUSFRMITVPAOT-RRQGHBQHSA-N 1 0 349.450 3.164 40 0 EGABRO O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000363615306 457384127 /nfs/dbraw/zinc/38/41/27/457384127.db2.gz GFTFACAEFSWZLY-LLVKDONJSA-N 1 0 328.790 3.319 40 0 EGABRO COc1cc2c(cc1F)nccc2N1CC[NH+](C2CCCC2)CC1 ZINC000479911046 459172772 /nfs/dbraw/zinc/17/27/72/459172772.db2.gz MPNJTJHPPROJQJ-UHFFFAOYSA-N 1 0 329.419 3.447 40 0 EGABRO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](CC4CC4)C[C@@H]32)o1 ZINC000585109799 459825328 /nfs/dbraw/zinc/82/53/28/459825328.db2.gz VIHVJOSKXHEQKV-CMKODMSKSA-N 1 0 336.435 3.498 40 0 EGABRO COCC[N@@H+]1CCCC[C@H]1C1CCN(C(=O)c2ccccc2)CC1 ZINC000585113233 459826111 /nfs/dbraw/zinc/82/61/11/459826111.db2.gz OUKAIQQOWMPKJL-IBGZPJMESA-N 1 0 330.472 3.040 40 0 EGABRO COCC1CC[NH+]([C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)CC1 ZINC000585289351 459833356 /nfs/dbraw/zinc/83/33/56/459833356.db2.gz QEGZQCBOLPKGAT-XUVXKRRUSA-N 1 0 333.472 3.014 40 0 EGABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000585288908 459833759 /nfs/dbraw/zinc/83/37/59/459833759.db2.gz BRAGTRBIRBUCLB-IPMKNSEASA-N 1 0 346.858 3.228 40 0 EGABRO COCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1OCCC[C@@H]12 ZINC000257285140 518057261 /nfs/dbraw/zinc/05/72/61/518057261.db2.gz PFVFHQWBCGKUMJ-FUHWJXTLSA-N 1 0 347.455 3.036 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000183563595 526405372 /nfs/dbraw/zinc/40/53/72/526405372.db2.gz HFOOVDIVYJYHGI-YLFCFFPRSA-N 1 0 338.492 3.323 40 0 EGABRO CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3C=C[C@H](CO)C3)CC2)cc1 ZINC000183580332 528080957 /nfs/dbraw/zinc/08/09/57/528080957.db2.gz JCFILFWUKFWGCN-FZQMEJGWSA-N 1 0 329.484 3.467 40 0 EGABRO O=C(c1ccsc1)N1C[C@@]2(CC[N@H+](CC3CC3)C2)c2ncccc21 ZINC000306128969 547460049 /nfs/dbraw/zinc/46/00/49/547460049.db2.gz HPVHCXGEXHMSQG-IBGZPJMESA-N 1 0 339.464 3.157 40 0 EGABRO Cc1cc2c[nH+]cn2c([C@H]2CCCCN2C(=O)c2cccs2)n1 ZINC000230566601 564128951 /nfs/dbraw/zinc/12/89/51/564128951.db2.gz JALJFWONUDNYTA-CQSZACIVSA-N 1 0 326.425 3.467 40 0 EGABRO CN(C)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027604522 282286083 /nfs/dbraw/zinc/28/60/83/282286083.db2.gz QUCIEMKKFAHAMS-KRWDZBQOSA-N 1 0 343.496 3.381 40 0 EGABRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2F)CC1 ZINC000003553013 210053616 /nfs/dbraw/zinc/05/36/16/210053616.db2.gz NFMSLTVONCFDAL-UHFFFAOYSA-N 1 0 347.821 3.483 40 0 EGABRO CSCCc1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000102716410 219224069 /nfs/dbraw/zinc/22/40/69/219224069.db2.gz IWVSTSTZHLLAGA-KRWDZBQOSA-N 1 0 331.485 3.070 40 0 EGABRO C[NH+]1CCN(C[C@@H](NCc2cc(F)ccc2F)c2ccccc2)CC1 ZINC000069171042 215367321 /nfs/dbraw/zinc/36/73/21/215367321.db2.gz CTPSBSHRSNPJOZ-HXUWFJFHSA-N 1 0 345.437 3.043 40 0 EGABRO CC(C)c1ccc(OCCOC[C@H](O)C[NH+]2CCCCCC2)cc1 ZINC000040373361 213293782 /nfs/dbraw/zinc/29/37/82/213293782.db2.gz BLJSRFQUGSVSHV-LJQANCHMSA-N 1 0 335.488 3.442 40 0 EGABRO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH+]3CCC(O)CC3)C=C2C)o1 ZINC000035442619 213029251 /nfs/dbraw/zinc/02/92/51/213029251.db2.gz GNLJDPRAMBORKK-LNLFQRSKSA-N 1 0 347.503 3.232 40 0 biogenic,in-vitro EGABRO CC[N@@H+]1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 ZINC000072363447 216169883 /nfs/dbraw/zinc/16/98/83/216169883.db2.gz DCIAKCIHLOPUOQ-OAHLLOKOSA-N 1 0 326.448 3.135 40 0 EGABRO Cc1nc2sccn2c1C[N@@H+]1CC[C@@H](c2nc(C)cc(C)n2)C1 ZINC000072369803 216178068 /nfs/dbraw/zinc/17/80/68/216178068.db2.gz XLHVLVLWXPUORX-CQSZACIVSA-N 1 0 327.457 3.101 40 0 EGABRO Fc1ccc(-c2cc(C[NH2+]Cc3cccs3)c3nnnn3c2)cc1 ZINC000072392352 216190797 /nfs/dbraw/zinc/19/07/97/216190797.db2.gz YULLLWUNYFFQCF-UHFFFAOYSA-N 1 0 339.399 3.282 40 0 EGABRO Cn1nc([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)c2nccnc21 ZINC000072393854 216192087 /nfs/dbraw/zinc/19/20/87/216192087.db2.gz GDKHRUJCEFGNRZ-CYBMUJFWSA-N 1 0 343.381 3.021 40 0 EGABRO C=Cn1cc(CN2CCC[N@H+](Cc3cccc(F)c3)CC2)c(C)n1 ZINC000022916179 212333910 /nfs/dbraw/zinc/33/39/10/212333910.db2.gz UXTZIYILWUDJCR-UHFFFAOYSA-N 1 0 328.435 3.139 40 0 EGABRO CC[NH+](CC)CCN(C)[C@@](O)(C(=O)c1ccccc1)C1CCCCC1 ZINC000022588150 212307963 /nfs/dbraw/zinc/30/79/63/212307963.db2.gz KTGWDRXREWABPW-NRFANRHFSA-N 1 0 346.515 3.412 40 0 EGABRO CC(C)(COCc1ccccc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000253629972 244041980 /nfs/dbraw/zinc/04/19/80/244041980.db2.gz GESRFJAKIMOXLV-UHFFFAOYSA-N 1 0 344.499 3.363 40 0 EGABRO COCc1cc(CN2CC[C@H]3[NH2+]CCCC[C@H]32)ccc1OC(C)C ZINC000257254017 244275939 /nfs/dbraw/zinc/27/59/39/244275939.db2.gz KBGCTSAJVLUCIF-RTBURBONSA-N 1 0 332.488 3.337 40 0 EGABRO Cc1cnc([C@@H]2CCCN(C(=O)CC[NH+]3CCCCCC3)C2)s1 ZINC000257269293 244370169 /nfs/dbraw/zinc/37/01/69/244370169.db2.gz MPJDOHZYMNPANV-MRXNPFEDSA-N 1 0 335.517 3.424 40 0 EGABRO CCCCn1cc(C[N@@H+]2CCCC[C@]3(C)NC(=O)CC[C@H]23)c(C)n1 ZINC000257270440 244377639 /nfs/dbraw/zinc/37/76/39/244377639.db2.gz MUGGSPPDLFDWHH-HKUYNNGSSA-N 1 0 332.492 3.015 40 0 EGABRO C[NH+](C)CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257343505 244576959 /nfs/dbraw/zinc/57/69/59/244576959.db2.gz ZTHIJXUEPNWVOZ-KRWDZBQOSA-N 1 0 345.418 3.020 40 0 EGABRO COc1cccc(-c2n[nH]cc2CN(C)CC[NH+]2CCCCC2)c1 ZINC000019586095 212047556 /nfs/dbraw/zinc/04/75/56/212047556.db2.gz VNVOSRBKYDQCHV-UHFFFAOYSA-N 1 0 328.460 3.003 40 0 EGABRO CCC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019499276 212033945 /nfs/dbraw/zinc/03/39/45/212033945.db2.gz ZNYTWEUOPIDIIV-DOTOQJQBSA-N 1 0 344.484 3.018 40 0 EGABRO CCC[C@@H](C(=O)N[C@H](C)C[NH+]1CCCCCC1)n1nc(C)cc1C ZINC000019501812 212033954 /nfs/dbraw/zinc/03/39/54/212033954.db2.gz TXJCKAAVZNNFFL-AEFFLSMTSA-N 1 0 334.508 3.222 40 0 EGABRO CC(C)[NH+](CCN1CCC[C@@H](n2c3ccccc3oc2=O)C1)C(C)C ZINC000019447605 212029076 /nfs/dbraw/zinc/02/90/76/212029076.db2.gz QOUDZCFOAWGKQH-QGZVFWFLSA-N 1 0 345.487 3.350 40 0 EGABRO CC(C)c1ccc(CN2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)cc1 ZINC000019453302 212027892 /nfs/dbraw/zinc/02/78/92/212027892.db2.gz OLZQPASQMAOHBG-SFHVURJKSA-N 1 0 336.483 3.235 40 0 EGABRO OCC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(-c2ccccc2)cc1 ZINC000019374200 212024792 /nfs/dbraw/zinc/02/47/92/212024792.db2.gz SAWXWYXFPYPCLZ-YADHBBJMSA-N 1 0 336.479 3.385 40 0 EGABRO COc1ccc(C[NH2+]CCc2cc(F)cc3c2OCOC3)cc1OC ZINC000078552803 217073765 /nfs/dbraw/zinc/07/37/65/217073765.db2.gz XZUWFDFGFNGQKP-UHFFFAOYSA-N 1 0 347.386 3.042 40 0 EGABRO CCOc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1OC ZINC000016692842 211929833 /nfs/dbraw/zinc/92/98/33/211929833.db2.gz BBERWOCWLPWJDL-UHFFFAOYSA-N 1 0 345.439 3.443 40 0 EGABRO O=C(OCC[NH+]1CCCCC1)[C@H](c1ccccc1)C1(O)CCCC1 ZINC000001668937 284451564 /nfs/dbraw/zinc/45/15/64/284451564.db2.gz RZYRCRNNLDPHAI-SFHVURJKSA-N 1 0 331.456 3.104 40 0 EGABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)cc(N)n2n1 ZINC000012185882 211314031 /nfs/dbraw/zinc/31/40/31/211314031.db2.gz YHHQYRVLRKXMQZ-OAHLLOKOSA-N 1 0 339.418 3.139 40 0 EGABRO Cc1cnccc1-c1cnc(N(C)CC[NH+](C)C)nc1-c1ccco1 ZINC000012144377 211304512 /nfs/dbraw/zinc/30/45/12/211304512.db2.gz QXOUOWCRRDXYQL-UHFFFAOYSA-N 1 0 337.427 3.105 40 0 EGABRO OC1(c2ccccn2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012089073 211290122 /nfs/dbraw/zinc/29/01/22/211290122.db2.gz NWOJHSBQIRBKKN-NYTJIUQPSA-N 1 0 344.405 3.480 40 0 EGABRO C[N@@H+]1CCC[C@H](CNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000009876547 211129664 /nfs/dbraw/zinc/12/96/64/211129664.db2.gz GAHALRUJSWSMDI-LLVKDONJSA-N 1 0 331.407 3.334 40 0 EGABRO Cc1cc(=O)n2c(n1)NC(NC1CCCCC1)=[NH+][C@H]2[C@H]1CC=CCC1 ZINC000009196242 211051589 /nfs/dbraw/zinc/05/15/89/211051589.db2.gz BQBFLFSBANAVAZ-WMLDXEAASA-N 1 0 341.459 3.110 40 0 EGABRO c1ccc(CO[C@H]2COC3(C2)CC[NH+](Cc2ccccn2)CC3)cc1 ZINC000096047860 218536465 /nfs/dbraw/zinc/53/64/65/218536465.db2.gz BAVPYNRVSDXKRF-HXUWFJFHSA-N 1 0 338.451 3.422 40 0 EGABRO O=C(c1ccc2c(c1)COCO2)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000096444693 218826242 /nfs/dbraw/zinc/82/62/42/218826242.db2.gz AFMQNODIFGNTSN-GOSISDBHSA-N 1 0 344.455 3.034 40 0 EGABRO CC(=O)NC1CCC([NH2+][C@H]2CCCN(c3ccc(F)cc3C)C2)CC1 ZINC000097379275 219019826 /nfs/dbraw/zinc/01/98/26/219019826.db2.gz GCIIAJGGWHGRGZ-ACBHZAAOSA-N 1 0 347.478 3.140 40 0 EGABRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2CC(c3ccccc3)C2)C1 ZINC000119599394 221357637 /nfs/dbraw/zinc/35/76/37/221357637.db2.gz NIERGDQCLPJZJW-IVMQYODDSA-N 1 0 329.488 3.210 40 0 EGABRO COc1cccc(F)c1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000188864253 533566340 /nfs/dbraw/zinc/56/63/40/533566340.db2.gz PBHNCLKXHBKMGS-AWEZNQCLSA-N 1 0 335.423 3.174 40 0 EGABRO O=C(C[NH2+]CCc1ccccc1)Nc1ccccc1N1CCCCC1 ZINC000035311482 132389288 /nfs/dbraw/zinc/38/92/88/132389288.db2.gz QPRRPENFZPKWSB-UHFFFAOYSA-N 1 0 337.467 3.448 40 0 EGABRO Cn1cc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c2ccccc21 ZINC000039978558 132398080 /nfs/dbraw/zinc/39/80/80/132398080.db2.gz QKOGCEPETDAANY-UHFFFAOYSA-N 1 0 348.450 3.182 40 0 EGABRO Cc1ccc(N(C)[C@@H]2COC3(C2)CC[NH+](C2CCOCC2)CC3)cc1 ZINC000257336392 292125940 /nfs/dbraw/zinc/12/59/40/292125940.db2.gz YOFBSZFSOCZHHO-FQEVSTJZSA-N 1 0 344.499 3.234 40 0 EGABRO Cn1c2ccc(CN3CCC[C@@H]([NH+]4CCCC4)CC3)cc2sc1=O ZINC000195028931 153373330 /nfs/dbraw/zinc/37/33/30/153373330.db2.gz LKVUYRIKPMHINE-MRXNPFEDSA-N 1 0 345.512 3.050 40 0 EGABRO C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(C(=O)NCC[NH+](C)C)ccc1OC2(C)C ZINC000257242463 287716023 /nfs/dbraw/zinc/71/60/23/287716023.db2.gz ICQBTNXZTQFLGY-QBIMZIAESA-N 1 0 346.471 3.005 40 0 EGABRO COc1cc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1C ZINC000278849733 275280743 /nfs/dbraw/zinc/28/07/43/275280743.db2.gz KYMCKRLZPGNPIG-INIZCTEOSA-N 1 0 326.444 3.379 40 0 EGABRO CN1C(=O)[C@@H](c2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000039271124 277019340 /nfs/dbraw/zinc/01/93/40/277019340.db2.gz VWWROGPEPKDAAA-LJQANCHMSA-N 1 0 348.446 3.051 40 0 EGABRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000252586063 277986006 /nfs/dbraw/zinc/98/60/06/277986006.db2.gz NETXXHHUUXVYHZ-DGADGQDISA-N 1 0 326.481 3.368 40 0 EGABRO C[C@@H](c1ccccc1)[NH+]1CCC(N2C(=O)N3CCC[C@@]3(C)C2=O)CC1 ZINC000253630257 278419306 /nfs/dbraw/zinc/41/93/06/278419306.db2.gz QPJUITBSPGLSNS-YWZLYKJASA-N 1 0 341.455 3.029 40 0 EGABRO C[NH+]1CCC(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)CC1 ZINC000097236581 323215177 /nfs/dbraw/zinc/21/51/77/323215177.db2.gz XLDZKVVECRPXTF-CYBMUJFWSA-N 1 0 336.304 3.026 40 0 EGABRO O=C(Nc1cccc(-c2ncco2)c1)N1CCC([NH+]2CC=CC2)CC1 ZINC000102317088 323215890 /nfs/dbraw/zinc/21/58/90/323215890.db2.gz GGNHMZUZMOGYDU-UHFFFAOYSA-N 1 0 338.411 3.210 40 0 EGABRO O=C(/C=C/c1ccccc1)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000240122336 455263594 /nfs/dbraw/zinc/26/35/94/455263594.db2.gz VVZNDRINYHHWOH-UHFFFAOYSA-N 1 0 344.524 3.424 40 0 EGABRO OCc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000241634619 455268555 /nfs/dbraw/zinc/26/85/55/455268555.db2.gz PNVBZAOQMGVEQD-WOJBJXKFSA-N 1 0 329.415 3.406 40 0 EGABRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccnc1 ZINC000189995493 455269064 /nfs/dbraw/zinc/26/90/64/455269064.db2.gz NRLKATQPWUJQFG-UGSOOPFHSA-N 1 0 345.393 3.202 40 0 EGABRO CCn1c[n+](C[C@@H](O)COc2ccc(F)cc2)c2cc(C)c(C)cc21 ZINC000000268775 452552210 /nfs/dbraw/zinc/55/22/10/452552210.db2.gz IUQRVVBNHTWHKR-QGZVFWFLSA-N 1 0 343.422 3.145 40 0 EGABRO OCC[NH+](CCO)[C@H](Cc1ccccc1)c1cccc2ccccc21 ZINC000001665645 452672457 /nfs/dbraw/zinc/67/24/57/452672457.db2.gz GETONNYTKAUPTQ-JOCHJYFZSA-N 1 0 335.447 3.410 40 0 EGABRO C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1Br ZINC000002696125 452714838 /nfs/dbraw/zinc/71/48/38/452714838.db2.gz NVTVIELDMOSXEN-STQMWFEESA-N 1 0 328.250 3.063 40 0 EGABRO C[C@@H](CN(C)Cc1ncnn1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190361077 455302645 /nfs/dbraw/zinc/30/26/45/455302645.db2.gz RSGQWUYBTRWECG-JTQLQIEISA-N 1 0 329.231 3.021 40 0 EGABRO CCOc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)ccc1OC ZINC000008254352 453182887 /nfs/dbraw/zinc/18/28/87/453182887.db2.gz PTFQOEGPHFYLSA-UHFFFAOYSA-N 1 0 345.439 3.443 40 0 EGABRO COc1cccc(C[NH2+]C[C@H](C)O)c1OCc1ccc(Cl)cc1 ZINC000008498049 453208910 /nfs/dbraw/zinc/20/89/10/453208910.db2.gz QCXXABIGWFYBLH-ZDUSSCGKSA-N 1 0 335.831 3.398 40 0 EGABRO O=C(NC1(C[NH+]2CCCC2)CCCCC1)[C@H]1OCOc2ccccc21 ZINC000012198667 453350537 /nfs/dbraw/zinc/35/05/37/453350537.db2.gz TYXLUHVAWYWMAQ-SFHVURJKSA-N 1 0 344.455 3.009 40 0 EGABRO CC(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CCCC(C)(C)C3)ccc21 ZINC000012291247 453354939 /nfs/dbraw/zinc/35/49/39/453354939.db2.gz MHAIGNNTCKOVOB-IBGZPJMESA-N 1 0 330.472 3.141 40 0 EGABRO Clc1ccccc1[C@@H](CNc1ncnc2n[nH]cc21)[NH+]1CCCC1 ZINC000012547874 453373242 /nfs/dbraw/zinc/37/32/42/453373242.db2.gz OVPQLSPQWPAZDB-OAHLLOKOSA-N 1 0 342.834 3.255 40 0 EGABRO O=c1[nH]c2cc3c(cc2cc1C[NH2+]Cc1ccccc1Cl)OCO3 ZINC000013998447 453494896 /nfs/dbraw/zinc/49/48/96/453494896.db2.gz PLDOFAOVAXFYHB-UHFFFAOYSA-N 1 0 342.782 3.200 40 0 EGABRO OC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000016338454 453601112 /nfs/dbraw/zinc/60/11/12/453601112.db2.gz VROCYHLYAAJGIO-UHFFFAOYSA-N 1 0 333.435 3.496 40 0 EGABRO C[C@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019078923 453653564 /nfs/dbraw/zinc/65/35/64/453653564.db2.gz MFWWDSZBHBAYTR-FUHWJXTLSA-N 1 0 348.462 3.460 40 0 EGABRO CC[NH+](CC)CCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000022076868 453686790 /nfs/dbraw/zinc/68/67/90/453686790.db2.gz CYRADGSSGVZCML-UHFFFAOYSA-N 1 0 330.428 3.165 40 0 EGABRO C[NH+](C)[C@H](CNC(=O)c1nc(Cl)ccc1Cl)c1cccs1 ZINC000027679830 453819934 /nfs/dbraw/zinc/81/99/34/453819934.db2.gz WWTDNWGTYFICTQ-SNVBAGLBSA-N 1 0 344.267 3.483 40 0 EGABRO Cc1ccccc1N1CC[NH+](C[C@@H](O)CSc2ccccc2)CC1 ZINC000031938432 453858307 /nfs/dbraw/zinc/85/83/07/453858307.db2.gz AWQRVDXIHPAUQH-GOSISDBHSA-N 1 0 342.508 3.270 40 0 EGABRO Cc1oc(-c2ccccc2)nc1CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000032244827 453866249 /nfs/dbraw/zinc/86/62/49/453866249.db2.gz RXVDRBLVQOZOFD-UHFFFAOYSA-N 1 0 343.471 3.428 40 0 EGABRO CO[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000067267504 453915692 /nfs/dbraw/zinc/91/56/92/453915692.db2.gz UIXSNYXSNQXSTR-RTBURBONSA-N 1 0 326.440 3.102 40 0 EGABRO COc1cc(C)c(C[NH2+][C@@H]2CCC[C@H](C(=O)NC(C)C)C2)cc1OC ZINC000083469841 453949077 /nfs/dbraw/zinc/94/90/77/453949077.db2.gz BTAOLLNZMUKASE-DOTOQJQBSA-N 1 0 348.487 3.185 40 0 EGABRO O=C(NCc1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044932054 454127171 /nfs/dbraw/zinc/12/71/71/454127171.db2.gz HHFOHZCJDBXJLQ-QGZVFWFLSA-N 1 0 344.405 3.493 40 0 EGABRO O=C(C[NH+]1CCC2(CC1)SCCS2)c1c[nH]c2ncccc12 ZINC000045067982 454136966 /nfs/dbraw/zinc/13/69/66/454136966.db2.gz PTJIPWDFNPTGKY-UHFFFAOYSA-N 1 0 333.482 3.018 40 0 EGABRO COc1ccc([C@@H](CNC(=[NH2+])NC2CCCC2)N2CCCCC2)cc1 ZINC000058064450 454163041 /nfs/dbraw/zinc/16/30/41/454163041.db2.gz PSXLFRPDHLAKTO-LJQANCHMSA-N 1 0 344.503 3.279 40 0 EGABRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1c(F)cccc1F ZINC000070928913 454186163 /nfs/dbraw/zinc/18/61/63/454186163.db2.gz RKYCSLDXTCWJMY-UHFFFAOYSA-N 1 0 346.381 3.398 40 0 EGABRO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)C1 ZINC000130511663 454201815 /nfs/dbraw/zinc/20/18/15/454201815.db2.gz BRLLKDOCVALNIU-QILLFSRXSA-N 1 0 327.472 3.144 40 0 EGABRO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)cc1 ZINC000096041641 454266149 /nfs/dbraw/zinc/26/61/49/454266149.db2.gz MOCBKEBFQIMKKY-PWRODBHTSA-N 1 0 345.483 3.170 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)o1 ZINC000096046566 454270562 /nfs/dbraw/zinc/27/05/62/454270562.db2.gz FWPLIVBERVIKIX-UHFFFAOYSA-N 1 0 339.439 3.111 40 0 EGABRO O=C(C[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2)N1CCCC1 ZINC000096048171 454271302 /nfs/dbraw/zinc/27/13/02/454271302.db2.gz RGRQXLWERHYGJX-QGZVFWFLSA-N 1 0 348.512 3.132 40 0 EGABRO c1cc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cs1 ZINC000096048241 454271583 /nfs/dbraw/zinc/27/15/83/454271583.db2.gz RYGMJMVSWIKWKK-ZWKOTPCHSA-N 1 0 330.453 3.346 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)o1 ZINC000096051170 454272161 /nfs/dbraw/zinc/27/21/61/454272161.db2.gz QMFDNGLXNPLBDE-KRWDZBQOSA-N 1 0 348.397 3.116 40 0 EGABRO c1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)cs1 ZINC000096049543 454273126 /nfs/dbraw/zinc/27/31/26/454273126.db2.gz SSFJSEBYPSUXEG-IBGZPJMESA-N 1 0 343.496 3.262 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)s1 ZINC000096054038 454274628 /nfs/dbraw/zinc/27/46/28/454274628.db2.gz KQYSFQCJCDYOJZ-ROUUACIJSA-N 1 0 341.480 3.135 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)cc1 ZINC000096057004 454274794 /nfs/dbraw/zinc/27/47/94/454274794.db2.gz BSSPCZNYZFNVOZ-LEWJYISDSA-N 1 0 345.483 3.493 40 0 EGABRO Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1[C@@H](O)c1ccccc1 ZINC000072223710 454275708 /nfs/dbraw/zinc/27/57/08/454275708.db2.gz PGTBARZPJWFEJR-FQEVSTJZSA-N 1 0 325.456 3.002 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC[C@@H](C(=O)N4CCCC4)O3)CC2)s1 ZINC000096061235 454276620 /nfs/dbraw/zinc/27/66/20/454276620.db2.gz MLXVVDWQKWMWKP-KRWDZBQOSA-N 1 0 348.512 3.193 40 0 EGABRO Fc1cnccc1C[NH+]1CCC2(C[C@@H](Oc3ccccc3)CO2)CC1 ZINC000096073192 454279635 /nfs/dbraw/zinc/27/96/35/454279635.db2.gz XLCOYMVOQBCXLC-GOSISDBHSA-N 1 0 342.414 3.423 40 0 EGABRO c1csc(C[N@H+]2CC[C@]3(C2)COCCN(Cc2ccoc2)C3)c1 ZINC000096087616 454280182 /nfs/dbraw/zinc/28/01/82/454280182.db2.gz QKQRLVGGYGBEPI-GOSISDBHSA-N 1 0 332.469 3.066 40 0 EGABRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3nccs3)C2)C1=O ZINC000096100303 454282649 /nfs/dbraw/zinc/28/26/49/454282649.db2.gz IRGUNIUZLUFOII-IBGZPJMESA-N 1 0 341.480 3.289 40 0 EGABRO c1cc(C[NH+]2CCC3(CO[C@H](COc4ccccn4)C3)CC2)co1 ZINC000096106196 454284297 /nfs/dbraw/zinc/28/42/97/454284297.db2.gz MQKZNTCYIALGIC-KRWDZBQOSA-N 1 0 328.412 3.125 40 0 EGABRO c1csc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)c1 ZINC000096107275 454285115 /nfs/dbraw/zinc/28/51/15/454285115.db2.gz SSKWFHOGUFVRTO-MJGOQNOKSA-N 1 0 344.480 3.483 40 0 EGABRO c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(COCC3CCOCC3)C2)nc1 ZINC000096109193 454285792 /nfs/dbraw/zinc/28/57/92/454285792.db2.gz LHJCHEOKYHDYGB-QUCCMNQESA-N 1 0 330.472 3.127 40 0 EGABRO CCCC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072341112 454293763 /nfs/dbraw/zinc/29/37/63/454293763.db2.gz IUJOUIOLFLMBJD-UWVAXJGDSA-N 1 0 329.440 3.342 40 0 EGABRO CC(C)n1cccc1C[N@@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1 ZINC000072339907 454294741 /nfs/dbraw/zinc/29/47/41/454294741.db2.gz BZZXHVGGLZSPMT-UHFFFAOYSA-N 1 0 349.438 3.185 40 0 EGABRO Cc1cc(C[NH2+][C@H]2CCc3c(ccc(=O)n3CC3CC3)C2)oc1C ZINC000096189743 454300963 /nfs/dbraw/zinc/30/09/63/454300963.db2.gz FVKHVFRHQCGFJO-KRWDZBQOSA-N 1 0 326.440 3.115 40 0 EGABRO c1csc(C[N@@H+]2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)c1 ZINC000096249429 454311133 /nfs/dbraw/zinc/31/11/33/454311133.db2.gz XUCSKECROGLCQN-ROUUACIJSA-N 1 0 329.469 3.013 40 0 EGABRO C[NH+]1CCC(NC(=O)Nc2ccc(COC3CCCC3)cc2)CC1 ZINC000096418126 454334719 /nfs/dbraw/zinc/33/47/19/454334719.db2.gz KCCVPHDMMMZWJB-UHFFFAOYSA-N 1 0 331.460 3.362 40 0 EGABRO Cc1ccc2cccc(C(=O)N(CC[NH+](C)C)Cc3cccnc3)c2n1 ZINC000096420828 454335008 /nfs/dbraw/zinc/33/50/08/454335008.db2.gz DUXOMZIQFKHFJV-UHFFFAOYSA-N 1 0 348.450 3.142 40 0 EGABRO CC[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCc1cscn1 ZINC000096431763 454342296 /nfs/dbraw/zinc/34/22/96/454342296.db2.gz KADWPQFGFVKIBX-GOSISDBHSA-N 1 0 343.496 3.199 40 0 EGABRO O=C(NC[C@@H]1OCCc2sccc21)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000096452103 454356646 /nfs/dbraw/zinc/35/66/46/454356646.db2.gz KSSKTVGDDGZSGT-PBHICJAKSA-N 1 0 348.512 3.133 40 0 EGABRO CCc1cnc([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)s1 ZINC000096479066 454363995 /nfs/dbraw/zinc/36/39/95/454363995.db2.gz XCQSYRQEIXMOCO-CQSZACIVSA-N 1 0 330.501 3.416 40 0 EGABRO COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000096499686 454371695 /nfs/dbraw/zinc/37/16/95/454371695.db2.gz QNVQELPUXOIYMT-BQFCYCMXSA-N 1 0 345.487 3.190 40 0 EGABRO Cc1ncccc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000097375534 454434105 /nfs/dbraw/zinc/43/41/05/454434105.db2.gz GRQXVFIOODIXBH-BBWFWOEESA-N 1 0 331.460 3.125 40 0 EGABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCCC1CC[NH+](C)CC1 ZINC000176234963 454715413 /nfs/dbraw/zinc/71/54/13/454715413.db2.gz OEICGJRCUUQOEU-INIZCTEOSA-N 1 0 338.879 3.346 40 0 EGABRO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000176463204 454748927 /nfs/dbraw/zinc/74/89/27/454748927.db2.gz VIMUUAWFLLFZKG-OKZBNKHCSA-N 1 0 329.488 3.306 40 0 EGABRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC=C(c2ccccc2F)CC1 ZINC000163309442 454838593 /nfs/dbraw/zinc/83/85/93/454838593.db2.gz AXLOYPCUZVXTBD-HNNXBMFYSA-N 1 0 343.446 3.109 40 0 EGABRO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)C(=O)c2cccc(F)c2)[C@H](C)C1 ZINC000110652229 454850461 /nfs/dbraw/zinc/85/04/61/454850461.db2.gz CPKYYEDSOCVBCR-DAYGRLMNSA-N 1 0 348.462 3.223 40 0 EGABRO Cn1cc(-c2cc(CN3CCSC[C@@H]3c3ccccc3)on2)cn1 ZINC000185005644 455484572 /nfs/dbraw/zinc/48/45/72/455484572.db2.gz HWWHKVQZSKCYGH-GOSISDBHSA-N 1 0 340.452 3.365 40 0 EGABRO COc1ccc(S[C@H](C)C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000156459052 455120873 /nfs/dbraw/zinc/12/08/73/455120873.db2.gz NVGOVZOBUHZZAN-CQSZACIVSA-N 1 0 336.501 3.024 40 0 EGABRO Cc1ncsc1CC[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185441521 455558587 /nfs/dbraw/zinc/55/85/87/455558587.db2.gz GERFECPCQJOMCS-KRWDZBQOSA-N 1 0 330.432 3.246 40 0 EGABRO CCc1ocnc1C(=O)OC[C@H]1CC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000248179510 455695106 /nfs/dbraw/zinc/69/51/06/455695106.db2.gz CKKHVRQLKVUALX-KDOFPFPSSA-N 1 0 344.411 3.095 40 0 EGABRO COCc1cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1OC ZINC000248749752 455729937 /nfs/dbraw/zinc/72/99/37/455729937.db2.gz SXBGCKHXZBMAAF-UONJOCPKSA-N 1 0 331.456 3.450 40 0 EGABRO COc1ccc2c(c1)[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)CC2 ZINC000278146735 455770197 /nfs/dbraw/zinc/77/01/97/455770197.db2.gz NMLDFMZCEQXAGZ-INIZCTEOSA-N 1 0 330.472 3.150 40 0 EGABRO COCCC1(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)CCCCC1 ZINC000249940761 455783709 /nfs/dbraw/zinc/78/37/09/455783709.db2.gz SYVKWEDGZQGWQE-KZNAEPCWSA-N 1 0 325.493 3.242 40 0 EGABRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)CC1 ZINC000250119951 455785766 /nfs/dbraw/zinc/78/57/66/455785766.db2.gz VCNPZRXRDLDBEX-BOMAWHNGSA-N 1 0 349.544 3.168 40 0 EGABRO Cc1ccc([C@H](CNC(=O)c2cccc(CO)c2)[NH+]2CCCC2)cc1 ZINC000252486678 455810516 /nfs/dbraw/zinc/81/05/16/455810516.db2.gz HOLVKOLBIQTUDW-FQEVSTJZSA-N 1 0 338.451 3.054 40 0 EGABRO CCc1[nH+]c2ccccc2c(N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1C ZINC000252496022 455814269 /nfs/dbraw/zinc/81/42/69/455814269.db2.gz PEGTXPPYQCYYNX-QGZVFWFLSA-N 1 0 337.427 3.110 40 0 EGABRO CC(C)SCC[NH2+][C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000253392804 455838645 /nfs/dbraw/zinc/83/86/45/455838645.db2.gz WHCKEXOLKAMWHK-AWEZNQCLSA-N 1 0 342.530 3.019 40 0 EGABRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194424646 455840301 /nfs/dbraw/zinc/84/03/01/455840301.db2.gz FUCIXIUGVAQFGS-AWEZNQCLSA-N 1 0 342.443 3.033 40 0 EGABRO O=C1C[C@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)C(=O)N1c1ccc(Cl)cc1 ZINC000253614880 455855506 /nfs/dbraw/zinc/85/55/06/455855506.db2.gz RBRRWYQEVKKWPO-XEZPLFJOSA-N 1 0 332.831 3.094 40 0 EGABRO Cc1ncsc1C(=O)N1CCCC[C@H]1c1nc(C)cc2c[nH+]cn21 ZINC000257238335 455880454 /nfs/dbraw/zinc/88/04/54/455880454.db2.gz HKLZODSIHGLTKP-AWEZNQCLSA-N 1 0 341.440 3.170 40 0 EGABRO COc1cccc(F)c1CN1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257285330 455882263 /nfs/dbraw/zinc/88/22/63/455882263.db2.gz PGQSWYDQNPICKD-KRWDZBQOSA-N 1 0 344.434 3.023 40 0 EGABRO Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000257286391 455883171 /nfs/dbraw/zinc/88/31/71/455883171.db2.gz PLKUAQYFKPQQCB-KRWDZBQOSA-N 1 0 326.444 3.147 40 0 EGABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000257299531 455886582 /nfs/dbraw/zinc/88/65/82/455886582.db2.gz RQKZJOOOIFAFKE-NRFANRHFSA-N 1 0 337.467 3.487 40 0 EGABRO CC(=O)Nc1nc2nc(C3CC[NH+](CC(C)C)CC3)ccc2s1 ZINC000257322320 455892126 /nfs/dbraw/zinc/89/21/26/455892126.db2.gz WFMCYDREAZRNBN-UHFFFAOYSA-N 1 0 332.473 3.485 40 0 EGABRO CCCC[N@H+](Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000257328155 455893554 /nfs/dbraw/zinc/89/35/54/455893554.db2.gz XEKOWODOWKTQOJ-QZTJIDSGSA-N 1 0 348.487 3.269 40 0 EGABRO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cccc(F)c3)C2)[nH+]1 ZINC000257328122 455893567 /nfs/dbraw/zinc/89/35/67/455893567.db2.gz XEFYLPRJQGVDCO-OAHLLOKOSA-N 1 0 327.403 3.225 40 0 EGABRO Cc1ccc(N(C)[C@H]2COC3(C2)CC[NH+](C2CCOCC2)CC3)cc1 ZINC000257336393 455894392 /nfs/dbraw/zinc/89/43/92/455894392.db2.gz YOFBSZFSOCZHHO-HXUWFJFHSA-N 1 0 344.499 3.234 40 0 EGABRO CCCn1nccc1-c1cc(CC2CC[NH+](C(C)C)CC2)ncn1 ZINC000257334128 455894526 /nfs/dbraw/zinc/89/45/26/455894526.db2.gz YEQRWUKZIBAPJD-UHFFFAOYSA-N 1 0 327.476 3.413 40 0 EGABRO Cc1ccccc1CC(=O)N1CCC[C@H]1c1ccnc(C[NH+](C)C)c1 ZINC000257336556 455894552 /nfs/dbraw/zinc/89/45/52/455894552.db2.gz YOYQZBMOFOHTEO-FQEVSTJZSA-N 1 0 337.467 3.358 40 0 EGABRO C[N@@H+](Cc1ccc(OCCF)cc1)C[C@H](O)COC1CCCCC1 ZINC000257340316 455895822 /nfs/dbraw/zinc/89/58/22/455895822.db2.gz ZFLZHECZQCJKTK-KRWDZBQOSA-N 1 0 339.451 3.177 40 0 EGABRO CCOc1cccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000260737505 455900600 /nfs/dbraw/zinc/90/06/00/455900600.db2.gz LAAYUNVJMJCZDZ-HNNXBMFYSA-N 1 0 335.517 3.494 40 0 EGABRO COc1ccc2c(c1)C[N@@H+](Cc1ccccc1)CC[C@H]1COC(=O)N21 ZINC000225490555 456087687 /nfs/dbraw/zinc/08/76/87/456087687.db2.gz IDAIJVREPYJCCZ-KRWDZBQOSA-N 1 0 338.407 3.426 40 0 biogenic,in-vitro EGABRO C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCC[NH+]1CCCCC1 ZINC000225527618 456091153 /nfs/dbraw/zinc/09/11/53/456091153.db2.gz FIUINLMYKHFHOY-KRWDZBQOSA-N 1 0 344.499 3.325 40 0 EGABRO CC(C)CC[C@@H]1CCCN1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000333401555 456212919 /nfs/dbraw/zinc/21/29/19/456212919.db2.gz YUKISHPWQXKSCL-RDJZCZTQSA-N 1 0 330.476 3.330 40 0 EGABRO CCOc1ccc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)cc1 ZINC000277184246 456714637 /nfs/dbraw/zinc/71/46/37/456714637.db2.gz UDBWJLVIBDIZLR-HNNXBMFYSA-N 1 0 326.444 3.195 40 0 EGABRO CC[C@@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2c(C)noc2C)CC1 ZINC000585099895 459823486 /nfs/dbraw/zinc/82/34/86/459823486.db2.gz VBTZSIZKKYLBQH-KUHUBIRLSA-N 1 0 333.476 3.437 40 0 EGABRO Cc1cccc(OC[C@@]2(O)COCC[N@@H+](C3CCC(C)(C)CC3)C2)c1 ZINC000585285186 459832770 /nfs/dbraw/zinc/83/27/70/459832770.db2.gz CROLUMUOZAYBLE-NRFANRHFSA-N 1 0 347.499 3.406 40 0 EGABRO Nc1cccc2c1ccnc2N1CC[NH+](CCc2ccccc2)CC1 ZINC000663362346 461591573 /nfs/dbraw/zinc/59/15/73/461591573.db2.gz KKLSKEXLGLVRMP-UHFFFAOYSA-N 1 0 332.451 3.182 40 0 EGABRO Cc1c(-c2ccccc2)n[nH]c1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000012143775 525508278 /nfs/dbraw/zinc/50/82/78/525508278.db2.gz PEHKYOHLJXEQFP-INIZCTEOSA-N 1 0 340.471 3.235 40 0 EGABRO CNc1cnc(C[C@H]2CCC[N@H+](Cc3csc(C)n3)CC2)cn1 ZINC000257252843 536421705 /nfs/dbraw/zinc/42/17/05/536421705.db2.gz JWHLWEJJEMJZMR-AWEZNQCLSA-N 1 0 331.489 3.128 40 0 EGABRO COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]32)cc1 ZINC000257206029 536944924 /nfs/dbraw/zinc/94/49/24/536944924.db2.gz BBNZCIHKSGLHOK-KZNAEPCWSA-N 1 0 346.471 3.492 40 0 EGABRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc([S@@](C)=O)cc1 ZINC000090666685 546660790 /nfs/dbraw/zinc/66/07/90/546660790.db2.gz JDZSPHJFZJFCBR-VCGICTTQSA-N 1 0 345.390 3.027 40 0 EGABRO Fc1ccc(C[N@@H+]2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)cc1 ZINC000306129616 547460146 /nfs/dbraw/zinc/46/01/46/547460146.db2.gz IIGCIKXSOAARGS-SJLPKXTDSA-N 1 0 334.398 3.313 40 0 EGABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(C(C)=O)cc1 ZINC000008300472 560208748 /nfs/dbraw/zinc/20/87/48/560208748.db2.gz KUJCDBLGXSXSFC-QILLFSRXSA-N 1 0 329.444 3.131 40 0 biogenic,in-vitro EGABRO CCC[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1ccccc1 ZINC000057293240 214417314 /nfs/dbraw/zinc/41/73/14/214417314.db2.gz RSSJIMYIAVHXAR-GOSISDBHSA-N 1 0 339.439 3.143 40 0 EGABRO Cn1c(=O)c2c3c(sc2nc1SCC[NH+]1CCCCC1)CCC3 ZINC000004167742 210138766 /nfs/dbraw/zinc/13/87/66/210138766.db2.gz OSZATSSCPMNEIS-UHFFFAOYSA-N 1 0 349.525 3.062 40 0 EGABRO O=C(Cc1ccccc1F)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374538 213798374 /nfs/dbraw/zinc/79/83/74/213798374.db2.gz ZASDZVMOUCVSIT-UHFFFAOYSA-N 1 0 326.415 3.280 40 0 EGABRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(N)=O)ccc21 ZINC000067665000 215177522 /nfs/dbraw/zinc/17/75/22/215177522.db2.gz LYYWQJNKWCANAC-FQEVSTJZSA-N 1 0 342.414 3.040 40 0 in-vitro EGABRO O[C@]1(c2cccnc2)CCC[C@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC000072342994 216159051 /nfs/dbraw/zinc/15/90/51/216159051.db2.gz SWBIKSIPDQMZTB-NQYLQCIDSA-N 1 0 344.405 3.480 40 0 EGABRO Cc1nccn1-c1nccnc1C1CC[NH+](CCc2ccccc2)CC1 ZINC000072350540 216162569 /nfs/dbraw/zinc/16/25/69/216162569.db2.gz XBHWPRUXRLAWKM-UHFFFAOYSA-N 1 0 347.466 3.393 40 0 EGABRO c1cncc(C[N@@H+]2CCC[C@@H](c3nccnc3Oc3cccnc3)C2)c1 ZINC000072383635 216184234 /nfs/dbraw/zinc/18/42/34/216184234.db2.gz FFKUNHYKBAKEHL-QGZVFWFLSA-N 1 0 347.422 3.439 40 0 EGABRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cnn1C(C)C ZINC000191285577 239017583 /nfs/dbraw/zinc/01/75/83/239017583.db2.gz KVEZFVINHICKCP-HIFRSBDPSA-N 1 0 336.480 3.432 40 0 EGABRO O[C@@]1(C[NH2+]Cc2cc(Br)c(Cl)s2)CCSC1 ZINC000191274107 239006164 /nfs/dbraw/zinc/00/61/64/239006164.db2.gz ZQUYENPNLGXSHE-SNVBAGLBSA-N 1 0 342.711 3.122 40 0 EGABRO CCn1cncc1CN(Cc1cccs1)C[C@H]1CCC[N@@H+]1CC ZINC000023247885 212363665 /nfs/dbraw/zinc/36/36/65/212363665.db2.gz YPQOSTXSFYRXDM-MRXNPFEDSA-N 1 0 332.517 3.451 40 0 EGABRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2c(s1)CCC2 ZINC000195555952 241004722 /nfs/dbraw/zinc/00/47/22/241004722.db2.gz DYPMITOOLSWLGO-NEPJUHHUSA-N 1 0 337.489 3.292 40 0 EGABRO C[NH+]1CCN(Cc2ccc3oc(-c4cccc(F)c4)nc3c2)CC1 ZINC000216840406 241213443 /nfs/dbraw/zinc/21/34/43/241213443.db2.gz HIMNOSWURUFGQZ-UHFFFAOYSA-N 1 0 325.387 3.381 40 0 EGABRO COc1ccc([C@@H](CNC(=O)c2cc(C)oc2C)[NH+]2CCCC2)cc1 ZINC000021912000 212262576 /nfs/dbraw/zinc/26/25/76/212262576.db2.gz VHELXLYVXCJEMA-LJQANCHMSA-N 1 0 342.439 3.472 40 0 EGABRO CO[C@@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[C@H](C)C1 ZINC000225634822 241963377 /nfs/dbraw/zinc/96/33/77/241963377.db2.gz OVNZGYXIATZWIR-KXBFYZLASA-N 1 0 334.460 3.161 40 0 EGABRO COc1cccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225727034 242008232 /nfs/dbraw/zinc/00/82/32/242008232.db2.gz POXVETSLKITWQH-GASCZTMLSA-N 1 0 335.517 3.350 40 0 EGABRO Cc1ccccc1O[C@H](C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020462141 212133401 /nfs/dbraw/zinc/13/34/01/212133401.db2.gz UCOFJZFXETWPBD-JFIYKMOQSA-N 1 0 332.488 3.247 40 0 EGABRO COc1ccc(CCC(=O)NCCC[NH+]2CCCCCC2)cc1OC ZINC000020458053 212132845 /nfs/dbraw/zinc/13/28/45/212132845.db2.gz DYXVVTLBSALVPT-UHFFFAOYSA-N 1 0 348.487 3.019 40 0 EGABRO CCOc1ccc(CN2CCC[C@H]2c2nccc(C[NH+](C)C)n2)cc1 ZINC000257217382 244172081 /nfs/dbraw/zinc/17/20/81/244172081.db2.gz CYSCRFIBZAFDGF-IBGZPJMESA-N 1 0 340.471 3.274 40 0 EGABRO C[N@@H+]1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCN2C(=O)c1cscn1 ZINC000257227781 244206096 /nfs/dbraw/zinc/20/60/96/244206096.db2.gz FQVYYRUUBZFBET-SZMVWBNQSA-N 1 0 341.480 3.236 40 0 EGABRO O=C(C[NH+]1CCCC1)N1C[C@@H]2CC[C@H](Oc3ccccc3Cl)[C@@H]2C1 ZINC000257254143 244276719 /nfs/dbraw/zinc/27/67/19/244276719.db2.gz KBVWRNGBJAOOBP-UXLLHSPISA-N 1 0 348.874 3.052 40 0 EGABRO c1c[nH]c(-c2cncc(CC3CC[NH+](C4CCCCC4)CC3)n2)n1 ZINC000257304725 244472544 /nfs/dbraw/zinc/47/25/44/244472544.db2.gz SMWYRCKUEYTSLN-UHFFFAOYSA-N 1 0 325.460 3.454 40 0 EGABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1cnc(OC)nc1 ZINC000019527205 212038131 /nfs/dbraw/zinc/03/81/31/212038131.db2.gz KLWHXNHOTUPJJB-MRXNPFEDSA-N 1 0 346.500 3.033 40 0 EGABRO COc1ccc(CN2CC[NH+]([C@@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1OC ZINC000019370797 212023427 /nfs/dbraw/zinc/02/34/27/212023427.db2.gz QEGUEZZXBCYEKP-BPQIPLTHSA-N 1 0 330.472 3.010 40 0 EGABRO O[C@H](CN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000019366052 212022687 /nfs/dbraw/zinc/02/26/87/212022687.db2.gz XBIUJADNHMADBP-LJQANCHMSA-N 1 0 330.859 3.191 40 0 EGABRO c1ccc(C[C@H]2C[N@@H+]3CCC[C@H]3CN2Cc2nc3ccccc3[nH]2)cc1 ZINC000019372775 212022541 /nfs/dbraw/zinc/02/25/41/212022541.db2.gz MIGDHVPAIHQPPC-OALUTQOASA-N 1 0 346.478 3.454 40 0 EGABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccn(C(F)F)n1 ZINC000019293337 212013430 /nfs/dbraw/zinc/01/34/30/212013430.db2.gz BCYYCOMGSVPVQS-UHFFFAOYSA-N 1 0 348.397 3.194 40 0 EGABRO [NH3+][C@@H]1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 ZINC000019293985 212012647 /nfs/dbraw/zinc/01/26/47/212012647.db2.gz YHCUJTSZBVCUGF-CQSZACIVSA-N 1 0 335.386 3.237 40 0 EGABRO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CC[NH2+]C3)n2)c1 ZINC000019294180 212012719 /nfs/dbraw/zinc/01/27/19/212012719.db2.gz NZHRDDMYJUSTJC-AWEZNQCLSA-N 1 0 335.386 3.498 40 0 EGABRO CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21 ZINC000019235230 212006761 /nfs/dbraw/zinc/00/67/61/212006761.db2.gz DKYXJZPOCLVVPH-FKBYEOEOSA-N 1 0 349.478 3.226 40 0 EGABRO CC[NH+]1CCC(N(C)C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000079330415 217209764 /nfs/dbraw/zinc/20/97/64/217209764.db2.gz HFPDMINOLSPQHY-UHFFFAOYSA-N 1 0 329.271 3.479 40 0 EGABRO Cc1nc2cc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)ccc2o1 ZINC000378181089 169082314 /nfs/dbraw/zinc/08/23/14/169082314.db2.gz BXECBHQKGHQJND-HNNXBMFYSA-N 1 0 328.416 3.228 40 0 EGABRO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2cccs2)n1 ZINC000012185912 211313674 /nfs/dbraw/zinc/31/36/74/211313674.db2.gz RHYMOTCWRCHRPK-INIZCTEOSA-N 1 0 345.468 3.218 40 0 EGABRO OC1(c2ccccn2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(F)c1)C2 ZINC000012089057 211289713 /nfs/dbraw/zinc/28/97/13/211289713.db2.gz PZTPBOSQDDSFSY-XEWABKELSA-N 1 0 326.415 3.340 40 0 EGABRO OC1(Cn2cnc3ccccc32)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000012088160 211289802 /nfs/dbraw/zinc/28/98/02/211289802.db2.gz CBVXASLLMHCWGM-UHFFFAOYSA-N 1 0 339.414 3.203 40 0 EGABRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(OC(F)(F)F)cc2)N1 ZINC000009476881 211088676 /nfs/dbraw/zinc/08/86/76/211088676.db2.gz ZWTMZLDNNGDFEZ-ZDUSSCGKSA-N 1 0 347.300 3.031 40 0 EGABRO C[C@]1(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCOC1 ZINC000095440644 218384915 /nfs/dbraw/zinc/38/49/15/218384915.db2.gz SCWYUVDLZPNAIO-IBGZPJMESA-N 1 0 331.460 3.016 40 0 EGABRO O=C(C[NH2+]Cc1cccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC000005000526 210355795 /nfs/dbraw/zinc/35/57/95/210355795.db2.gz RUMJUAIXUDFUGV-UHFFFAOYSA-N 1 0 330.331 3.375 40 0 EGABRO CC(C)C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)NCc1ccco1)C2 ZINC000004886544 210311913 /nfs/dbraw/zinc/31/19/13/210311913.db2.gz NIGLMSZHYYYLLX-MQVJKMGUSA-N 1 0 335.517 3.285 40 0 EGABRO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(Br)cc1F ZINC000119208853 221265856 /nfs/dbraw/zinc/26/58/56/221265856.db2.gz XRPXKFAWVUUINM-LXIMFEHMSA-N 1 0 336.270 3.396 40 0 EGABRO CC[C@H](C)[NH2+]Cc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007540630 257864881 /nfs/dbraw/zinc/86/48/81/257864881.db2.gz NAHHZYHUSDEPAC-LBPRGKRZSA-N 1 0 345.395 3.408 40 0 EGABRO CC(C)[NH+]1CCC(n2cnc3ncc(-c4ccc(F)nc4)nc32)CC1 ZINC000306130182 257919943 /nfs/dbraw/zinc/91/99/43/257919943.db2.gz IYUQZSQBDWRHAG-UHFFFAOYSA-N 1 0 340.406 3.073 40 0 EGABRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 ZINC000183564984 533541260 /nfs/dbraw/zinc/54/12/60/533541260.db2.gz FUYMNNJYXHXJAV-ZBFHGGJFSA-N 1 0 326.481 3.181 40 0 EGABRO CC(C)Cn1cc2c(n1)nc(N1CCC([NH3+])CC1)cc2C(F)(F)F ZINC000012398921 135694561 /nfs/dbraw/zinc/69/45/61/135694561.db2.gz BHYNIQYVTSKAOT-UHFFFAOYSA-N 1 0 341.381 3.034 40 0 EGABRO COc1cc(C)ccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000155778087 533680676 /nfs/dbraw/zinc/68/06/76/533680676.db2.gz GVJYJJWCNKJYFK-INIZCTEOSA-N 1 0 331.460 3.343 40 0 EGABRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000067803027 278837314 /nfs/dbraw/zinc/83/73/14/278837314.db2.gz VGIQUKDBOQTLEC-MRVPVSSYSA-N 1 0 340.267 3.158 40 0 EGABRO Cc1cc2ccccc2nc1NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000301694841 308711290 /nfs/dbraw/zinc/71/12/90/308711290.db2.gz MFVXPMHWXPUWDV-UHFFFAOYSA-N 1 0 347.466 3.302 40 0 EGABRO C[NH+]1CCC(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)CC1 ZINC000097236579 323215060 /nfs/dbraw/zinc/21/50/60/323215060.db2.gz XLDZKVVECRPXTF-ZDUSSCGKSA-N 1 0 336.304 3.026 40 0 EGABRO O=C(Nc1ccc(-c2csnn2)cc1)[C@H]1[NH2+]CCc2ccccc21 ZINC000097229061 323215093 /nfs/dbraw/zinc/21/50/93/323215093.db2.gz MPRFGWFMDKHWTN-KRWDZBQOSA-N 1 0 336.420 3.031 40 0 EGABRO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000097375283 323215691 /nfs/dbraw/zinc/21/56/91/323215691.db2.gz ZHRIZVYGYAKDMM-IERDGZPVSA-N 1 0 348.450 3.260 40 0 EGABRO Cc1cc(Cl)ccc1C[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000129056666 323219141 /nfs/dbraw/zinc/21/91/41/323219141.db2.gz ZCRUKGHXXQOXIT-UHFFFAOYSA-N 1 0 343.858 3.438 40 0 EGABRO C[C@H]1CSCCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000192326617 323814918 /nfs/dbraw/zinc/81/49/18/323814918.db2.gz YZYKKCCFONFVII-MRXNPFEDSA-N 1 0 327.538 3.037 40 0 EGABRO CCn1nccc1CC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000240902798 455265242 /nfs/dbraw/zinc/26/52/42/455265242.db2.gz IVMBBUHONVNSDX-KRWDZBQOSA-N 1 0 327.428 3.054 40 0 EGABRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccnc1 ZINC000189995451 455268940 /nfs/dbraw/zinc/26/89/40/455268940.db2.gz NRLKATQPWUJQFG-SCLBCKFNSA-N 1 0 345.393 3.202 40 0 EGABRO Cc1ccc([C@@H]2[C@H](C[NH3+])[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000242495136 455271375 /nfs/dbraw/zinc/27/13/75/455271375.db2.gz FVXXPXBGEWPOEA-GVDBMIGSSA-N 1 0 335.856 3.163 40 0 EGABRO COc1cc2c(cc1OC)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3 ZINC000000005319 452492686 /nfs/dbraw/zinc/49/26/86/452492686.db2.gz YJWBWQWUHVXPNC-AWEZNQCLSA-N 1 0 339.391 3.185 40 0 biogenic,in-vitro EGABRO CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COC[C@@H]1CC=CCC1 ZINC000000110067 452510312 /nfs/dbraw/zinc/51/03/12/452510312.db2.gz GAHNUXUZIZSIOF-QZTJIDSGSA-N 1 0 343.491 3.152 40 0 EGABRO CC[C@H]1C[N@@H+]2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc21 ZINC000000156021 452524904 /nfs/dbraw/zinc/52/49/04/452524904.db2.gz LJOQGZACKSYWCH-FOEVPDMQSA-N 1 0 326.440 3.397 40 0 in-man EGABRO Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000000269020 452551768 /nfs/dbraw/zinc/55/17/68/452551768.db2.gz SKCJRTOFHOSXQJ-UHFFFAOYSA-N 1 0 337.467 3.454 40 0 EGABRO Cn1nc(-c2ccc(CNC(=O)c3ccccc3)cc2)cc1C[NH+](C)C ZINC000019288887 453655349 /nfs/dbraw/zinc/65/53/49/453655349.db2.gz IGWCHWGBCUWBDX-UHFFFAOYSA-N 1 0 348.450 3.079 40 0 EGABRO CCOCc1cc(CN2CC[C@@H]3[NH2+]CCCCC[C@H]32)ccc1OC ZINC000019712494 453658653 /nfs/dbraw/zinc/65/86/53/453658653.db2.gz QCRXBKYCUQLUAA-RBUKOAKNSA-N 1 0 332.488 3.338 40 0 EGABRO C[C@H](Oc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189823 453726839 /nfs/dbraw/zinc/72/68/39/453726839.db2.gz KOUOGRUNXQJGMJ-KRWDZBQOSA-N 1 0 338.451 3.366 40 0 EGABRO [NH3+]C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000026896463 453807414 /nfs/dbraw/zinc/80/74/14/453807414.db2.gz RBFISBFFVYBDGU-NRFANRHFSA-N 1 0 333.431 3.315 40 0 EGABRO Cc1cccc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000032462301 453874142 /nfs/dbraw/zinc/87/41/42/453874142.db2.gz ARUOVOKVYJXRJW-UHFFFAOYSA-N 1 0 338.451 3.286 40 0 EGABRO O=C(COc1ccccc1F)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462274 453874207 /nfs/dbraw/zinc/87/42/07/453874207.db2.gz VDHKGTGEICXWMP-UHFFFAOYSA-N 1 0 342.414 3.117 40 0 EGABRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000040161240 453949331 /nfs/dbraw/zinc/94/93/31/453949331.db2.gz RWIXOFLYDZVQRN-GJYPPUQNSA-N 1 0 345.487 3.019 40 0 EGABRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CN1c1ccccc1 ZINC000085330556 454022953 /nfs/dbraw/zinc/02/29/53/454022953.db2.gz XBRDIAKRCDIBDP-XSSDXNQZSA-N 1 0 328.481 3.181 40 0 EGABRO O[C@@H](C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1)c1ccc(F)c(F)c1 ZINC000077400400 454101964 /nfs/dbraw/zinc/10/19/64/454101964.db2.gz XLKWPTAJEWUTCN-SFHVURJKSA-N 1 0 347.340 3.113 40 0 EGABRO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000077512708 454115901 /nfs/dbraw/zinc/11/59/01/454115901.db2.gz GGTBXGLAINNQON-OAHLLOKOSA-N 1 0 328.416 3.111 40 0 EGABRO O=C(c1nc2c(s1)CC[N@H+](Cc1ccsc1)CC2)N1CCCC1 ZINC000096044165 454268131 /nfs/dbraw/zinc/26/81/31/454268131.db2.gz FPTJWMCEYJGUDH-UHFFFAOYSA-N 1 0 347.509 3.041 40 0 EGABRO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](COCC3CC3)C2)s1 ZINC000096044198 454268281 /nfs/dbraw/zinc/26/82/81/454268281.db2.gz RHLBQDVUDYWEIC-INIZCTEOSA-N 1 0 331.485 3.312 40 0 EGABRO COc1ccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4ccco4)C3)C2)cc1 ZINC000096047599 454269363 /nfs/dbraw/zinc/26/93/63/454269363.db2.gz PLQCHCGIHJJJDF-QFBILLFUSA-N 1 0 328.412 3.134 40 0 EGABRO Cc1ccc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccsc2)C3)nn1 ZINC000096048442 454271834 /nfs/dbraw/zinc/27/18/34/454271834.db2.gz XKXNPPZXEKWQKL-SJLPKXTDSA-N 1 0 344.484 3.082 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)o1 ZINC000096047888 454271858 /nfs/dbraw/zinc/27/18/58/454271858.db2.gz CVXVAUSABMBETP-SFHVURJKSA-N 1 0 328.412 3.186 40 0 EGABRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1nccs1)C2 ZINC000096100325 454282581 /nfs/dbraw/zinc/28/25/81/454282581.db2.gz HKNKRDKLEXCDCA-LJQANCHMSA-N 1 0 339.464 3.043 40 0 EGABRO c1coc(C[NH+]2CCC3(CO[C@H](COc4ccccn4)C3)CC2)c1 ZINC000096106194 454284469 /nfs/dbraw/zinc/28/44/69/454284469.db2.gz MLASOODXRSGNML-KRWDZBQOSA-N 1 0 328.412 3.125 40 0 EGABRO c1ccc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cc1 ZINC000096107298 454285076 /nfs/dbraw/zinc/28/50/76/454285076.db2.gz LRBLJZORAROKJT-RTWAWAEBSA-N 1 0 338.451 3.422 40 0 EGABRO Cc1ccsc1C[N@@H+]1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096107775 454285753 /nfs/dbraw/zinc/28/57/53/454285753.db2.gz UKRMBHVKNPGUOX-MJGOQNOKSA-N 1 0 344.480 3.402 40 0 EGABRO CCC(=O)N1CCC[C@H]([N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C)C1 ZINC000072342504 454294091 /nfs/dbraw/zinc/29/40/91/454294091.db2.gz WZZBILPILIBLTG-HOCLYGCPSA-N 1 0 346.471 3.024 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2cccc(F)c2)o1 ZINC000096184684 454299589 /nfs/dbraw/zinc/29/95/89/454299589.db2.gz SYHXWVLCAAZYEF-RBUKOAKNSA-N 1 0 342.414 3.145 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccncc2)cc1C ZINC000096199961 454303125 /nfs/dbraw/zinc/30/31/25/454303125.db2.gz QSBKIRWZSUESBP-FQEVSTJZSA-N 1 0 349.478 3.337 40 0 EGABRO c1ccc(CC[N@@H+]2CC[C@@H](OCc3ccccn3)[C@H]3OCC[C@@H]32)cc1 ZINC000096216300 454305324 /nfs/dbraw/zinc/30/53/24/454305324.db2.gz HWAXWOWGJSHPPO-HBMCJLEFSA-N 1 0 338.451 3.073 40 0 EGABRO O=C(c1cscn1)N1C[C@H]2C[NH+](Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000096245501 454311878 /nfs/dbraw/zinc/31/18/78/454311878.db2.gz CCKWABDQABBHND-ZIAGYGMSSA-N 1 0 347.871 3.001 40 0 EGABRO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4cccc(Cl)c4)C[C@@H]32)N=C1C ZINC000096261443 454314827 /nfs/dbraw/zinc/31/48/27/454314827.db2.gz CKGKYUXRXNUOLQ-HHXXYDBFSA-N 1 0 345.874 3.201 40 0 EGABRO C[C@H]1CCC[N@H+](CCCNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000096414278 454331343 /nfs/dbraw/zinc/33/13/43/454331343.db2.gz JGKDNZRUTVYAPD-AWEZNQCLSA-N 1 0 347.484 3.184 40 0 EGABRO O=C([C@@H]1C[C@H]1c1cccnc1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000096416799 454332764 /nfs/dbraw/zinc/33/27/64/454332764.db2.gz AUURWOZHATUEAA-VQTJNVASSA-N 1 0 335.451 3.314 40 0 EGABRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc(N3CCCC3)c2)CC[N@@H+]1C ZINC000096434435 454345419 /nfs/dbraw/zinc/34/54/19/454345419.db2.gz NAAWBLWANQAWPT-YOEHRIQHSA-N 1 0 348.466 3.372 40 0 EGABRO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@@H]1CCCS1 ZINC000096436394 454348004 /nfs/dbraw/zinc/34/80/04/454348004.db2.gz QQKHZCBOVXOPON-KRWDZBQOSA-N 1 0 336.476 3.050 40 0 EGABRO CC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccncc3Cl)C2)CC1 ZINC000096445727 454352791 /nfs/dbraw/zinc/35/27/91/454352791.db2.gz XBFRQIYYLOXVQW-MRXNPFEDSA-N 1 0 335.879 3.206 40 0 EGABRO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCN(C(C)C)C2=O)cc1OC ZINC000096449373 454354928 /nfs/dbraw/zinc/35/49/28/454354928.db2.gz JEVSAHRPPAVZMP-ZBFHGGJFSA-N 1 0 334.460 3.062 40 0 EGABRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)C2 ZINC000090964708 454355578 /nfs/dbraw/zinc/35/55/78/454355578.db2.gz HXGJAMMDBMOKFQ-SCLBCKFNSA-N 1 0 340.423 3.308 40 0 EGABRO CC[C@H]([NH2+]Cc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 ZINC000079030932 454357395 /nfs/dbraw/zinc/35/73/95/454357395.db2.gz DHVWRVOFSIJDID-SFHVURJKSA-N 1 0 332.469 3.323 40 0 EGABRO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@H](CO)C1 ZINC000096483160 454365525 /nfs/dbraw/zinc/36/55/25/454365525.db2.gz QQCQLJWBIRIREL-ZJUUUORDSA-N 1 0 342.226 3.419 40 0 EGABRO O[C@H](C[NH2+]C/C=C/c1ccco1)c1cc(Cl)c2c(c1)OCCO2 ZINC000096485907 454367160 /nfs/dbraw/zinc/36/71/60/454367160.db2.gz LTYFJQULQSEMDU-BQTXGFLSSA-N 1 0 335.787 3.041 40 0 EGABRO C[C@H]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@H]1CCOC1 ZINC000097096450 454405287 /nfs/dbraw/zinc/40/52/87/454405287.db2.gz JIFFCOQNIMRYAZ-AAEUAGOBSA-N 1 0 333.457 3.192 40 0 EGABRO CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000063527675 454421846 /nfs/dbraw/zinc/42/18/46/454421846.db2.gz AOZYYXRQMMYHLE-INIZCTEOSA-N 1 0 326.362 3.150 40 0 EGABRO COc1ccc([C@H]2CCCCC[N@@H+]2CCCCS(C)(=O)=O)cc1 ZINC000097227752 454426054 /nfs/dbraw/zinc/42/60/54/454426054.db2.gz PTXGVCFALCIYQC-GOSISDBHSA-N 1 0 339.501 3.437 40 0 EGABRO CC(C)c1ccc(OCC(=O)N2CC[NH+]=Cc3cc(N)ccc32)cc1 ZINC000073642422 454463353 /nfs/dbraw/zinc/46/33/53/454463353.db2.gz FXRMJMMQIYCIKQ-UHFFFAOYSA-N 1 0 337.423 3.237 40 0 EGABRO C[C@H](C1CC1)[N@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000048309287 454471880 /nfs/dbraw/zinc/47/18/80/454471880.db2.gz UUXICRUWFHABRZ-CYBMUJFWSA-N 1 0 346.862 3.254 40 0 EGABRO CCc1nc(C(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c[nH]1 ZINC000110665061 454851203 /nfs/dbraw/zinc/85/12/03/454851203.db2.gz RXBKRUBEGBTBHF-WBVHZDCISA-N 1 0 340.471 3.270 40 0 EGABRO Cc1nc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(C)s1 ZINC000179104738 455009372 /nfs/dbraw/zinc/00/93/72/455009372.db2.gz OOKNATYCZQDJNT-LBPRGKRZSA-N 1 0 344.484 3.110 40 0 EGABRO O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)c(F)c1)OCc1ccccc1 ZINC000115899609 455036577 /nfs/dbraw/zinc/03/65/77/455036577.db2.gz NRZLQXPWDNEFLN-KRWDZBQOSA-N 1 0 330.359 3.235 40 0 EGABRO CC(C)c1ccc(OCCOC[C@H](O)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000245227315 455280936 /nfs/dbraw/zinc/28/09/36/455280936.db2.gz BOHSPJRSQSIMAL-PKOBYXMFSA-N 1 0 335.488 3.298 40 0 EGABRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCSC2(CCCCC2)C1 ZINC000245338676 455282611 /nfs/dbraw/zinc/28/26/11/455282611.db2.gz NUFHMODMPVMVIE-CVEARBPZSA-N 1 0 337.533 3.075 40 0 EGABRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCSC2(CCCCC2)C1 ZINC000245338677 455282690 /nfs/dbraw/zinc/28/26/90/455282690.db2.gz NUFHMODMPVMVIE-HOTGVXAUSA-N 1 0 337.533 3.075 40 0 EGABRO CC(=O)Nc1cccc(NC(=O)C[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000175521414 455457406 /nfs/dbraw/zinc/45/74/06/455457406.db2.gz UFKKGMPERGCWOD-UHFFFAOYSA-N 1 0 337.423 3.253 40 0 EGABRO C[C@H](c1cnccn1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000185385160 455551911 /nfs/dbraw/zinc/55/19/11/455551911.db2.gz DMFMGENROMBWFV-LLVKDONJSA-N 1 0 325.338 3.090 40 0 EGABRO CC[NH+](CC)CC[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2cncn21 ZINC000248257465 455701313 /nfs/dbraw/zinc/70/13/13/455701313.db2.gz OZCAOUUNIOHTFT-GOSISDBHSA-N 1 0 344.503 3.389 40 0 EGABRO Cc1ccc(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)s1 ZINC000186584334 455798838 /nfs/dbraw/zinc/79/88/38/455798838.db2.gz RWEYUCOXTPULTO-MRXNPFEDSA-N 1 0 329.469 3.236 40 0 EGABRO COc1ccc([C@H]2[C@H](CNC(=O)C3(SC)CC3)CCC[N@@H+]2C)cc1 ZINC000252499961 455815789 /nfs/dbraw/zinc/81/57/89/455815789.db2.gz SJZJRTORYXMECC-RDJZCZTQSA-N 1 0 348.512 3.090 40 0 EGABRO CCCc1occc1C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000252508370 455817529 /nfs/dbraw/zinc/81/75/29/455817529.db2.gz XLUVSBDGUFXCOD-UHFFFAOYSA-N 1 0 341.455 3.064 40 0 EGABRO COC1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CCOCC1 ZINC000253415273 455841171 /nfs/dbraw/zinc/84/11/71/455841171.db2.gz HPVRMZDMNWRUKC-INIZCTEOSA-N 1 0 346.471 3.053 40 0 EGABRO C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[NH2+]CCO ZINC000253499169 455850525 /nfs/dbraw/zinc/85/05/25/455850525.db2.gz CYTBXDOJKXVHPC-TWHJCCPZSA-N 1 0 335.532 3.341 40 0 biogenic EGABRO c1csc(-c2n[nH]cc2C[NH+]2CCC(c3cnccn3)CC2)c1 ZINC000257291315 455883624 /nfs/dbraw/zinc/88/36/24/455883624.db2.gz QGLWIKWYFUYNBD-UHFFFAOYSA-N 1 0 325.441 3.308 40 0 EGABRO COC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812548 455900500 /nfs/dbraw/zinc/90/05/00/455900500.db2.gz GCQBBOABDWQCEC-OAHLLOKOSA-N 1 0 334.460 3.303 40 0 EGABRO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000261798475 455950403 /nfs/dbraw/zinc/95/04/03/455950403.db2.gz ZSLLKEYOXSZZQA-CQSZACIVSA-N 1 0 344.377 3.022 40 0 EGABRO CN(Cc1nc(-c2ccc(Br)o2)no1)[C@H]1CCSC1 ZINC000195574675 455987860 /nfs/dbraw/zinc/98/78/60/455987860.db2.gz SSGHEXXVKKWARN-QMMMGPOBSA-N 1 0 344.234 3.029 40 0 EGABRO C[NH+]1CCC(NC(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 ZINC000222734783 456049627 /nfs/dbraw/zinc/04/96/27/456049627.db2.gz CNHGMNSIVXIKGL-UHFFFAOYSA-N 1 0 347.311 3.437 40 0 EGABRO C[C@H]1CCC[N@H+](CCCNC(=O)COc2cccc3c2CCCC3)C1 ZINC000225414370 456081607 /nfs/dbraw/zinc/08/16/07/456081607.db2.gz DXBZUYDVBVFTSY-KRWDZBQOSA-N 1 0 344.499 3.182 40 0 EGABRO O=C(Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C(F)(F)F ZINC000225587137 456094213 /nfs/dbraw/zinc/09/42/13/456094213.db2.gz XEOQKYDMGIJKBJ-UHFFFAOYSA-N 1 0 330.350 3.442 40 0 EGABRO CC(C)(C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1)N1CCOCC1 ZINC000225577806 456094823 /nfs/dbraw/zinc/09/48/23/456094823.db2.gz LBIYZAPESWPVSI-IBGZPJMESA-N 1 0 343.446 3.011 40 0 EGABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225650107 456101795 /nfs/dbraw/zinc/10/17/95/456101795.db2.gz SVFUQIHCRUJREZ-IBGZPJMESA-N 1 0 334.460 3.305 40 0 EGABRO CC[NH+]1CCC(Nc2nc3ccccc3nc2N2CCCC2)CC1 ZINC000301899517 456246276 /nfs/dbraw/zinc/24/62/76/456246276.db2.gz YBTRDQKVUYWQDO-UHFFFAOYSA-N 1 0 325.460 3.126 40 0 EGABRO c1coc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306135050 456568298 /nfs/dbraw/zinc/56/82/98/456568298.db2.gz OFXGKGVPTFRISS-KRWDZBQOSA-N 1 0 345.406 3.374 40 0 EGABRO Cc1ccc(-c2cc(NC(=O)C3CC[NH+](C4CC4)CC3)n[nH]2)s1 ZINC000282776449 456621806 /nfs/dbraw/zinc/62/18/06/456621806.db2.gz DREOQNZFOPYUGS-UHFFFAOYSA-N 1 0 330.457 3.260 40 0 EGABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)CC2)N1CCF ZINC000585100639 459822599 /nfs/dbraw/zinc/82/25/99/459822599.db2.gz RISMOFCEDNMNBB-OAQYLSRUSA-N 1 0 344.474 3.492 40 0 EGABRO CCOCC[C@@H]1CCOC12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000585104694 459823928 /nfs/dbraw/zinc/82/39/28/459823928.db2.gz LFSUBKBXEPCPDH-GOSISDBHSA-N 1 0 333.472 3.493 40 0 EGABRO Cc1ccccc1O[C@@H]1CCC[C@H]([N@H+](C)CCN2CCCCC2)[C@H]1O ZINC000585288710 459833344 /nfs/dbraw/zinc/83/33/44/459833344.db2.gz IJRLOYZTKBAKLW-CEWLAPEOSA-N 1 0 346.515 3.074 40 0 EGABRO C[NH+](C)CCc1ccc(-c2ccc(NC[C@@H]3CCCO3)nc2)cc1 ZINC000629733000 460895203 /nfs/dbraw/zinc/89/52/03/460895203.db2.gz XRQRWMFYASRKRM-IBGZPJMESA-N 1 0 325.456 3.444 40 0 EGABRO O[C@H](C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)CC(F)(F)F ZINC000189662714 534425532 /nfs/dbraw/zinc/42/55/32/534425532.db2.gz SWOUQAQHNKCJKV-LBPRGKRZSA-N 1 0 327.350 3.056 40 0 EGABRO CCc1ccc([C@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218654081 536194926 /nfs/dbraw/zinc/19/49/26/536194926.db2.gz LUHRGBTUYABIJO-BZSNNMDCSA-N 1 0 349.883 3.417 40 0 EGABRO c1cnc(Oc2ccc(C[N@@H+]3CC[C@H](Oc4ccncc4)C3)cc2)cn1 ZINC000093866227 546688425 /nfs/dbraw/zinc/68/84/25/546688425.db2.gz KFTXLPGCJOVMOO-IBGZPJMESA-N 1 0 348.406 3.317 40 0 EGABRO C[C@@H](C(=O)n1c2ccccc2c2ccccc21)[NH+]1CCC(C(N)=O)CC1 ZINC000054670900 214249842 /nfs/dbraw/zinc/24/98/42/214249842.db2.gz ZBVQNZFQJWBOST-AWEZNQCLSA-N 1 0 349.434 3.021 40 0 EGABRO Cc1cc(C)c(C)c(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000004305233 210165431 /nfs/dbraw/zinc/16/54/31/210165431.db2.gz NSUPENCYWPKROY-FQEVSTJZSA-N 1 0 325.452 3.410 40 0 EGABRO Cc1cc(C)c(C)c(OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)c1 ZINC000004305263 210164732 /nfs/dbraw/zinc/16/47/32/210164732.db2.gz HBPODAZFVYNBNT-SFHVURJKSA-N 1 0 349.515 3.365 40 0 EGABRO CCOc1ccc([C@@]2(O)[C@@H](C)N3CCCC3=[N+]2c2ccccc2)cc1 ZINC000001497199 209755256 /nfs/dbraw/zinc/75/52/56/209755256.db2.gz NCWWLEWJLZCGQM-IERDGZPVSA-N 1 0 337.443 3.344 40 0 EGABRO COC1(C[NH2+][C@H](C)c2ccc(Br)cc2F)CCOCC1 ZINC000128142134 222918454 /nfs/dbraw/zinc/91/84/54/222918454.db2.gz RDUKWGXUJHMXPZ-LLVKDONJSA-N 1 0 346.240 3.434 40 0 EGABRO O=C(NCCC[NH+]1CCCC1)c1cc(Br)ccc1Cl ZINC000037977578 213179547 /nfs/dbraw/zinc/17/95/47/213179547.db2.gz CVYNBSUUJPAPND-UHFFFAOYSA-N 1 0 345.668 3.318 40 0 EGABRO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000186846572 236040502 /nfs/dbraw/zinc/04/05/02/236040502.db2.gz DINGDUQZKFONBR-SFHVURJKSA-N 1 0 341.455 3.495 40 0 EGABRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000002218850 283410337 /nfs/dbraw/zinc/41/03/37/283410337.db2.gz ZDSMMZLZVFAZGS-ZDUSSCGKSA-N 1 0 332.194 3.439 40 0 EGABRO Cc1cc(Nc2ccccn2)nc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072360053 216165765 /nfs/dbraw/zinc/16/57/65/216165765.db2.gz KPQZNBOMGHAGRX-INIZCTEOSA-N 1 0 339.443 3.240 40 0 EGABRO c1ccc(C[N@@H+]2CCC[C@H]2c2cncc(Nc3cnccn3)n2)cc1 ZINC000072376196 216178760 /nfs/dbraw/zinc/17/87/60/216178760.db2.gz KLVZBHBRRYXODZ-KRWDZBQOSA-N 1 0 332.411 3.347 40 0 EGABRO Fc1ccc(-c2cc(C[NH2+]C3CCCCC3)c3nnnn3c2)cc1 ZINC000072392342 216190925 /nfs/dbraw/zinc/19/09/25/216190925.db2.gz ULQGOFCSAIBDMI-UHFFFAOYSA-N 1 0 325.391 3.353 40 0 EGABRO CCOc1ccccc1C[NH+]1CCC(c2[nH]nc3nccnc32)CC1 ZINC000072393758 216192432 /nfs/dbraw/zinc/19/24/32/216192432.db2.gz AXLWDGJXWRQVQD-UHFFFAOYSA-N 1 0 337.427 3.131 40 0 EGABRO O[C@H]1C[C@H](C2CCCCC2)[N@H+](Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000072634625 216285516 /nfs/dbraw/zinc/28/55/16/216285516.db2.gz QVUWMUQYNWYQRJ-DLBZAZTESA-N 1 0 345.418 3.391 40 0 EGABRO COc1cc(C[NH2+]CCN(C)C)ccc1OCc1ccccc1C ZINC000023254505 212364473 /nfs/dbraw/zinc/36/44/73/212364473.db2.gz ACLHPFPJNGRKPQ-UHFFFAOYSA-N 1 0 328.456 3.234 40 0 EGABRO CC1CC[NH+](CCCNC(=O)COc2ccc3c(c2)CCCC3)CC1 ZINC000225720011 242002018 /nfs/dbraw/zinc/00/20/18/242002018.db2.gz XJYOOMCOYSOXOC-UHFFFAOYSA-N 1 0 344.499 3.182 40 0 EGABRO Cc1cccc2nc(Sc3nnc([C@H]4CCC[NH2+]C4)n3C)sc21 ZINC000241961279 243007432 /nfs/dbraw/zinc/00/74/32/243007432.db2.gz UQYMLIHDSYZPBV-NSHDSACASA-N 1 0 345.497 3.351 40 0 EGABRO CC[NH+](CC)CC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2cncn21 ZINC000248257467 243553908 /nfs/dbraw/zinc/55/39/08/243553908.db2.gz OZCAOUUNIOHTFT-SFHVURJKSA-N 1 0 344.503 3.389 40 0 EGABRO [NH3+]C[C@H]1CC[C@H](c2cc(C(=O)Nc3ncc[nH]3)c3ccccc3n2)CC1 ZINC000257207015 244136694 /nfs/dbraw/zinc/13/66/94/244136694.db2.gz BFYPXQCDHRQQOQ-HDJSIYSDSA-N 1 0 349.438 3.443 40 0 EGABRO c1cc(C[C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n[nH]1 ZINC000257232647 244216485 /nfs/dbraw/zinc/21/64/85/244216485.db2.gz GLVABZNWDDCADE-MRXNPFEDSA-N 1 0 333.439 3.321 40 0 EGABRO Cc1nc([C@]2(C)CCCN(Cc3cscn3)C2)cc2c[nH+]cn21 ZINC000257222356 244188924 /nfs/dbraw/zinc/18/89/24/244188924.db2.gz DSYXUHKAVUQWNF-QGZVFWFLSA-N 1 0 327.457 3.048 40 0 EGABRO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@H](Cc4cccnc4)C3)c2n1 ZINC000257255962 244281105 /nfs/dbraw/zinc/28/11/05/244281105.db2.gz KJOUUEATXLRZDO-GOSISDBHSA-N 1 0 335.455 3.196 40 0 EGABRO Cn1cncc1-c1cncc(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000257265932 244360194 /nfs/dbraw/zinc/36/01/94/244360194.db2.gz MAXQESQZBVULRF-UHFFFAOYSA-N 1 0 347.466 3.332 40 0 EGABRO CCc1ccccc1NC(=O)C[NH+]1CCC2(COC(C)(C)C2)CC1 ZINC000257261245 244347683 /nfs/dbraw/zinc/34/76/83/244347683.db2.gz LGIDSUQDRPCGMN-UHFFFAOYSA-N 1 0 330.472 3.469 40 0 EGABRO COc1cccc(C[C@@H]2CC3(CO2)CC[NH+](C2CCOCC2)CC3)c1 ZINC000257263656 244355987 /nfs/dbraw/zinc/35/59/87/244355987.db2.gz LQXKRMHVMLXCKF-HXUWFJFHSA-N 1 0 345.483 3.288 40 0 EGABRO Cn1ccc2cc(C[C@H]3COCC[N@H+](Cc4ccncc4)C3)ccc21 ZINC000257277647 244397637 /nfs/dbraw/zinc/39/76/37/244397637.db2.gz NYVNCSRNFXILTB-LJQANCHMSA-N 1 0 335.451 3.264 40 0 EGABRO Cc1cc(C)n(CCC[N@@H+](C)Cc2ccc(N3CCCC3=O)cc2)n1 ZINC000019654530 212053068 /nfs/dbraw/zinc/05/30/68/212053068.db2.gz LIJNZGUTDCZJAW-UHFFFAOYSA-N 1 0 340.471 3.149 40 0 EGABRO C[C@@H]1C[NH+](Cc2c3ncccc3[nH]c2C2CCOCC2)C[C@@H](C)O1 ZINC000019497518 212031724 /nfs/dbraw/zinc/03/17/24/212031724.db2.gz SCMJOPKVOFDWQV-ZIAGYGMSSA-N 1 0 329.444 3.066 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)CC1 ZINC000078657038 217096977 /nfs/dbraw/zinc/09/69/77/217096977.db2.gz WHBJXASMKZCBLH-QFBILLFUSA-N 1 0 345.487 3.032 40 0 EGABRO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000078925993 217148946 /nfs/dbraw/zinc/14/89/46/217148946.db2.gz IYFXKZKTQABYJS-IRXDYDNUSA-N 1 0 340.471 3.305 40 0 EGABRO C[C@H]([NH2+]C1(CNC(=O)OC(C)(C)C)CCOCC1)c1ccccc1 ZINC000079098017 217192458 /nfs/dbraw/zinc/19/24/58/217192458.db2.gz CKVCBBVSKDNMJL-HNNXBMFYSA-N 1 0 334.460 3.411 40 0 EGABRO CC1(C(=O)OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000079355809 217214374 /nfs/dbraw/zinc/21/43/74/217214374.db2.gz KNHNASAWIQZNQG-SFHVURJKSA-N 1 0 331.456 3.259 40 0 EGABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[NH2+]CCO ZINC000012660360 211429743 /nfs/dbraw/zinc/42/97/43/211429743.db2.gz CYTBXDOJKXVHPC-QKSWPAOXSA-N 1 0 335.532 3.341 40 0 EGABRO CC[NH+](CC)C[C@@H]1Cn2ccnc2CN(Cc2ccc(C)s2)C1 ZINC000096059197 284698760 /nfs/dbraw/zinc/69/87/60/284698760.db2.gz WTFJWYBXACYBKS-INIZCTEOSA-N 1 0 332.517 3.227 40 0 EGABRO Cc1cnc(-c2nc(C3CC[NH+](Cc4ccccc4)CC3)no2)cn1 ZINC000012337354 211350351 /nfs/dbraw/zinc/35/03/51/211350351.db2.gz WOTADQGGVVXYOF-UHFFFAOYSA-N 1 0 335.411 3.215 40 0 EGABRO CC[NH+](CC)CCNc1ncc(-c2cc(C)no2)c(-c2ccco2)n1 ZINC000012274906 211331643 /nfs/dbraw/zinc/33/16/43/211331643.db2.gz ABTGHRCHRFAKGP-UHFFFAOYSA-N 1 0 341.415 3.454 40 0 EGABRO C[NH+](C)CCNc1ncc(-c2ncc[nH]2)c(-c2ccc(Cl)cc2)n1 ZINC000012221342 211324015 /nfs/dbraw/zinc/32/40/15/211324015.db2.gz PPMZGULQQUAIFO-UHFFFAOYSA-N 1 0 342.834 3.161 40 0 EGABRO FC(F)(F)CN1CC[C@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000095420509 218361786 /nfs/dbraw/zinc/36/17/86/218361786.db2.gz MQLCPHAJWPPLML-HIFRSBDPSA-N 1 0 328.378 3.374 40 0 EGABRO Cc1cc(N2CCC([NH2+][C@@H]3CCc4ccccc4C3)CC2)nc(C)n1 ZINC000095423617 218366419 /nfs/dbraw/zinc/36/64/19/218366419.db2.gz FNXJOYSBKJOHNJ-HXUWFJFHSA-N 1 0 336.483 3.209 40 0 EGABRO CCOC[C@H]1COCCC12CC[NH+](CCOCc1ccccc1)CC2 ZINC000096106423 218598951 /nfs/dbraw/zinc/59/89/51/218598951.db2.gz SMXWOOTWBLDGAL-FQEVSTJZSA-N 1 0 347.499 3.358 40 0 EGABRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc(N3CCCC3)c2)CC[N@@H+]1C ZINC000096434434 218811892 /nfs/dbraw/zinc/81/18/92/218811892.db2.gz NAAWBLWANQAWPT-PBHICJAKSA-N 1 0 348.466 3.372 40 0 EGABRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H](O)c1ccsc1 ZINC000096437273 218817207 /nfs/dbraw/zinc/81/72/07/218817207.db2.gz URMHEWFCJDLUCO-OAHLLOKOSA-N 1 0 344.436 3.019 40 0 EGABRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000097379794 219020282 /nfs/dbraw/zinc/02/02/82/219020282.db2.gz JOUJQYFLIIHUSD-KGLIPLIRSA-N 1 0 325.840 3.270 40 0 EGABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[NH2+]CCO ZINC000118918632 221203947 /nfs/dbraw/zinc/20/39/47/221203947.db2.gz CYTBXDOJKXVHPC-YRQPXTNQSA-N 1 0 335.532 3.341 40 0 EGABRO COc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3C)CC2)cc1 ZINC000012292491 274116914 /nfs/dbraw/zinc/11/69/14/274116914.db2.gz WLNGNYGBIXXOKL-FQEVSTJZSA-N 1 0 341.451 3.021 40 0 EGABRO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc1C ZINC000278849736 275280788 /nfs/dbraw/zinc/28/07/88/275280788.db2.gz KYMCKRLZPGNPIG-MRXNPFEDSA-N 1 0 326.444 3.379 40 0 EGABRO CC1CCC(O)(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)CC1 ZINC000096424116 275931833 /nfs/dbraw/zinc/93/18/33/275931833.db2.gz QYMNKNWUZOLGJV-UHFFFAOYSA-N 1 0 336.520 3.089 40 0 EGABRO Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000048325626 280924730 /nfs/dbraw/zinc/92/47/30/280924730.db2.gz SQEVYQSXVMMQGW-LPHOPBHVSA-N 1 0 326.440 3.181 40 0 EGABRO O=C1[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCCN1CC(F)(F)F ZINC000128130510 323218869 /nfs/dbraw/zinc/21/88/69/323218869.db2.gz ACOIODLWWBQPAR-OUAUKWLOSA-N 1 0 346.315 3.250 40 0 EGABRO C[C@H](C[C@H]1CCCO1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163027850 323223798 /nfs/dbraw/zinc/22/37/98/323223798.db2.gz SRSAEHZHEJPBSE-IEBWSBKVSA-N 1 0 344.499 3.363 40 0 EGABRO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]CCCOC[C@H]1CCOC1 ZINC000158248221 455283670 /nfs/dbraw/zinc/28/36/70/455283670.db2.gz KRSBJZVPLLWXLK-AEFFLSMTSA-N 1 0 331.456 3.466 40 0 EGABRO Cc1ccc2nc(-c3ccc(CSC(N)=[NH2+])cc3)oc(=O)c2c1 ZINC000005664729 452893929 /nfs/dbraw/zinc/89/39/29/452893929.db2.gz XKHDCHQHYFJZEU-UHFFFAOYSA-N 1 0 325.393 3.290 40 0 EGABRO O=C1CCCN1CCC[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000007984021 453144882 /nfs/dbraw/zinc/14/48/82/453144882.db2.gz WXCXTBBDNUXLGF-UHFFFAOYSA-N 1 0 348.450 3.128 40 0 EGABRO CCOCCC[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000008253131 453182108 /nfs/dbraw/zinc/18/21/08/453182108.db2.gz KTCDFJDUYQWATN-UHFFFAOYSA-N 1 0 346.265 3.373 40 0 EGABRO CCOc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1OCC ZINC000008315297 453188718 /nfs/dbraw/zinc/18/87/18/453188718.db2.gz DKISDEMLYOLWGM-UHFFFAOYSA-N 1 0 336.476 3.333 40 0 EGABRO COc1cc(CNCCC[NH+](C)C)ccc1OCc1ccccc1F ZINC000008373862 453197660 /nfs/dbraw/zinc/19/76/60/453197660.db2.gz HIUPCAQZOXBSOE-UHFFFAOYSA-N 1 0 346.446 3.455 40 0 EGABRO O=C(COc1ccccc1F)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008430017 453205052 /nfs/dbraw/zinc/20/50/52/453205052.db2.gz LFFQNYRFCHGQRO-UHFFFAOYSA-N 1 0 342.414 3.117 40 0 EGABRO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1ccc(C)cc1 ZINC000008550122 453212734 /nfs/dbraw/zinc/21/27/34/453212734.db2.gz CKISWQBDOZYHGE-UHFFFAOYSA-N 1 0 329.440 3.443 40 0 EGABRO CC(C)NC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1 ZINC000008623629 453220520 /nfs/dbraw/zinc/22/05/20/453220520.db2.gz WCBXLUOTCNNILH-IRXDYDNUSA-N 1 0 341.455 3.025 40 0 biogenic,in-vitro EGABRO C[C@H]1Cc2cc([C@H](O)C[N@@H+]3CCC[C@@H](C)C3)ccc2N1C(=O)C1CC1 ZINC000012181036 453347591 /nfs/dbraw/zinc/34/75/91/453347591.db2.gz FDLHJHJBOZDUPA-QEEYODRMSA-N 1 0 342.483 3.140 40 0 EGABRO Clc1cccc(N2CC[NH+](Cn3cnc4ccccc43)CC2)c1 ZINC000012539556 453370887 /nfs/dbraw/zinc/37/08/87/453370887.db2.gz MQMAYYRVPPDKMZ-UHFFFAOYSA-N 1 0 326.831 3.469 40 0 EGABRO Oc1cccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)c1 ZINC000012668418 453390684 /nfs/dbraw/zinc/39/06/84/453390684.db2.gz JSBMBCIFLUOEDE-UHFFFAOYSA-N 1 0 336.395 3.217 40 0 EGABRO Oc1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 ZINC000012668384 453391069 /nfs/dbraw/zinc/39/10/69/453391069.db2.gz FOBKJCJXXVBUHS-UHFFFAOYSA-N 1 0 336.395 3.217 40 0 EGABRO COc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@](O)(c3ncccc3C)[C@@H]2C1 ZINC000013227713 453454274 /nfs/dbraw/zinc/45/42/74/453454274.db2.gz SZNPSRLDSLSDDH-CDXJDZJCSA-N 1 0 338.451 3.128 40 0 EGABRO O=c1cc(-c2ccccn2)nc(C2CC[NH+](Cc3cccnc3)CC2)[nH]1 ZINC000013267961 453455496 /nfs/dbraw/zinc/45/54/96/453455496.db2.gz YGQLTDITPLIJRN-UHFFFAOYSA-N 1 0 347.422 3.019 40 0 EGABRO O=C(c1cc(C2CC2)on1)N1CCC(c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000019404608 453656204 /nfs/dbraw/zinc/65/62/04/453656204.db2.gz NYESKXNPEUDUFS-UHFFFAOYSA-N 1 0 336.395 3.448 40 0 EGABRO O[C@H](COCc1ccco1)C[N@@H+]1CCc2sccc2[C@@H]1C1CC1 ZINC000025697656 453782908 /nfs/dbraw/zinc/78/29/08/453782908.db2.gz OPXFGKBQAYKWLB-KSSFIOAISA-N 1 0 333.453 3.228 40 0 EGABRO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220979 453822657 /nfs/dbraw/zinc/82/26/57/453822657.db2.gz NLZRUFGOXITTKK-OAHLLOKOSA-N 1 0 332.831 3.461 40 0 EGABRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1F ZINC000031662742 453851458 /nfs/dbraw/zinc/85/14/58/453851458.db2.gz RJXHODMJDQCLCF-UHFFFAOYSA-N 1 0 327.403 3.396 40 0 EGABRO CCCCC[NH2+]Cc1ccc(-c2ccc(S(=O)(=O)NC)cc2)o1 ZINC000032860471 453894185 /nfs/dbraw/zinc/89/41/85/453894185.db2.gz LNINZHRTSSCYSO-UHFFFAOYSA-N 1 0 336.457 3.135 40 0 EGABRO Cc1cnc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)s1 ZINC000054379890 453926862 /nfs/dbraw/zinc/92/68/62/453926862.db2.gz PPBSDOZHFPFDAQ-ZFWWWQNUSA-N 1 0 330.457 3.409 40 0 EGABRO Cc1ccsc1C(=O)N[C@@H]1CCCc2c1cnn2-c1cc[nH+]cc1 ZINC000071195721 454202206 /nfs/dbraw/zinc/20/22/06/454202206.db2.gz LLCWXMVCTWEVDZ-OAHLLOKOSA-N 1 0 338.436 3.445 40 0 EGABRO Cc1nc(COC[C@]23CCCO[C@@H]2CC[N@H+](CC2CC2)C3)cs1 ZINC000096040153 454267125 /nfs/dbraw/zinc/26/71/25/454267125.db2.gz VGKOROHGTRPXKC-QZTJIDSGSA-N 1 0 336.501 3.249 40 0 EGABRO Fc1ccc(C[N@@H+]2C[C@@H](OCC3CCOCC3)[C@H]3OCCC[C@H]32)cc1 ZINC000096042406 454268449 /nfs/dbraw/zinc/26/84/49/454268449.db2.gz CHOHODGIGACFKL-AQNXPRMDSA-N 1 0 349.446 3.001 40 0 EGABRO O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096046563 454269496 /nfs/dbraw/zinc/26/94/96/454269496.db2.gz OVFPFEXYUYFYIX-UHFFFAOYSA-N 1 0 341.480 3.271 40 0 EGABRO O=C(c1ccsc1)N1C[C@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053887 454273807 /nfs/dbraw/zinc/27/38/07/454273807.db2.gz RWWHNULFKJKZRA-HZPDHXFCSA-N 1 0 330.428 3.091 40 0 EGABRO O=C(c1ccsc1)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053885 454274852 /nfs/dbraw/zinc/27/48/52/454274852.db2.gz RWWHNULFKJKZRA-IYBDPMFKSA-N 1 0 330.428 3.091 40 0 EGABRO Cc1ccc(C[N@@H+]2C[C@@H](OCc3ccncc3)[C@@H]3OCCC[C@@H]32)s1 ZINC000096058129 454276990 /nfs/dbraw/zinc/27/69/90/454276990.db2.gz VYXNGFDCBKOJPH-IPMKNSEASA-N 1 0 344.480 3.400 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)co1 ZINC000096065136 454277760 /nfs/dbraw/zinc/27/77/60/454277760.db2.gz LWRLQBVZLISGFY-PMACEKPBSA-N 1 0 342.439 3.263 40 0 EGABRO c1coc(CN2CCOC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)c1 ZINC000096062388 454277777 /nfs/dbraw/zinc/27/77/77/454277777.db2.gz JSGOUAJZUALSDE-SFHVURJKSA-N 1 0 332.469 3.066 40 0 EGABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)co1 ZINC000096065134 454278678 /nfs/dbraw/zinc/27/86/78/454278678.db2.gz LWRLQBVZLISGFY-UXHICEINSA-N 1 0 342.439 3.263 40 0 EGABRO Fc1cnccc1C[NH+]1CCC2(C[C@H](Oc3ccccc3)CO2)CC1 ZINC000096073193 454280342 /nfs/dbraw/zinc/28/03/42/454280342.db2.gz XLCOYMVOQBCXLC-SFHVURJKSA-N 1 0 342.414 3.423 40 0 EGABRO c1cc(CO[C@H]2COC3(C2)CC[NH+](CC2CCCC2)CC3)ccn1 ZINC000096106860 454284308 /nfs/dbraw/zinc/28/43/08/454284308.db2.gz MASGZILQSSEUEI-LJQANCHMSA-N 1 0 330.472 3.412 40 0 EGABRO c1csc(C[N@H+]2CC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)c1 ZINC000096107607 454285014 /nfs/dbraw/zinc/28/50/14/454285014.db2.gz KPSMSQWVYZXXFR-WMZOPIPTSA-N 1 0 330.453 3.093 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)cc1 ZINC000096107737 454285595 /nfs/dbraw/zinc/28/55/95/454285595.db2.gz YSIWYTKHRLMRQG-RTWAWAEBSA-N 1 0 345.483 3.172 40 0 EGABRO COc1ccc(C[N@@H+]2CCCC[C@H]3CN(C(=O)C4CCC4)C[C@H]32)cc1 ZINC000072330630 454294778 /nfs/dbraw/zinc/29/47/78/454294778.db2.gz WDLBMRQPNRHAQP-AZUAARDMSA-N 1 0 342.483 3.308 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3O[C@@H](COc4cccnc4)CC[C@@H]32)o1 ZINC000096186740 454299131 /nfs/dbraw/zinc/29/91/31/454299131.db2.gz SKUBXAAHNKPYCJ-QYZOEREBSA-N 1 0 328.412 3.184 40 0 EGABRO O=C(c1nc2c(s1)CC[N@H+](Cc1cccs1)CC2)N1CCCC1 ZINC000096187581 454300092 /nfs/dbraw/zinc/30/00/92/454300092.db2.gz OWNNJXLAXGFYGU-UHFFFAOYSA-N 1 0 347.509 3.041 40 0 EGABRO Cc1cnc(N2CC[C@@]3(C2)CCCC[N@@H+]3Cc2cccc(C)n2)nc1 ZINC000096203151 454303917 /nfs/dbraw/zinc/30/39/17/454303917.db2.gz XSGSLHAJHRRQHZ-HXUWFJFHSA-N 1 0 337.471 3.123 40 0 EGABRO Cc1ccsc1C[N@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC000096207225 454304410 /nfs/dbraw/zinc/30/44/10/454304410.db2.gz VQIRWEZPLKFPDE-INIZCTEOSA-N 1 0 331.485 3.312 40 0 EGABRO Cc1nc(C[NH+]2CCC3(CC[C@H](C(=O)N4CCCC4)C3)CC2)cs1 ZINC000096227863 454308391 /nfs/dbraw/zinc/30/83/91/454308391.db2.gz YPRILVUYFJBZEL-INIZCTEOSA-N 1 0 347.528 3.456 40 0 EGABRO Cn1ccc(C[N@@H+]2CCCC23CCN(Cc2ccccc2F)CC3)n1 ZINC000096227943 454308527 /nfs/dbraw/zinc/30/85/27/454308527.db2.gz LPCOROOEINNEMD-UHFFFAOYSA-N 1 0 342.462 3.190 40 0 EGABRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(F)c1)C2 ZINC000096220706 454308656 /nfs/dbraw/zinc/30/86/56/454308656.db2.gz QOORRGIOAFSQPD-QUCCMNQESA-N 1 0 332.463 3.006 40 0 EGABRO O=C1CCC2(CC[NH+](Cc3ccsc3)CC2)N1Cc1ccncc1 ZINC000096228211 454308690 /nfs/dbraw/zinc/30/86/90/454308690.db2.gz GVQQDZGJNJIPPZ-UHFFFAOYSA-N 1 0 341.480 3.300 40 0 EGABRO O=C(c1cscn1)N1C[C@@H]2C[NH+](Cc3cccc(Cl)c3)C[C@H]2C1 ZINC000096245484 454311367 /nfs/dbraw/zinc/31/13/67/454311367.db2.gz PEXMFTUKJOGULG-KBPBESRZSA-N 1 0 347.871 3.001 40 0 EGABRO c1csc(C[N@H+]2CCO[C@@H]3[C@H](CNc4cccnc4)CC[C@@H]32)c1 ZINC000096250154 454311981 /nfs/dbraw/zinc/31/19/81/454311981.db2.gz XUQQWUWQNBINAV-JCGIZDLHSA-N 1 0 329.469 3.235 40 0 EGABRO COc1ccc2c(c1)C1(CCN(Cc3ccccn3)CC1)[N@@H+](C)CC2 ZINC000096242672 454312030 /nfs/dbraw/zinc/31/20/30/454312030.db2.gz SJAHYXYWZGHUBS-UHFFFAOYSA-N 1 0 337.467 3.069 40 0 EGABRO CCn1nc(C)c(C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)c1C ZINC000096404224 454323738 /nfs/dbraw/zinc/32/37/38/454323738.db2.gz NEESEHSRBHYUGK-UHFFFAOYSA-N 1 0 340.471 3.327 40 0 EGABRO C[NH+](C)CCOc1ccc(NC(=O)CC[C@H]2CCCO2)cc1Cl ZINC000096408505 454326113 /nfs/dbraw/zinc/32/61/13/454326113.db2.gz BBHYBRQAWIWUKN-CQSZACIVSA-N 1 0 340.851 3.178 40 0 EGABRO C[C@@H]1CCC[N@H+](CCCNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000096414277 454331207 /nfs/dbraw/zinc/33/12/07/454331207.db2.gz JGKDNZRUTVYAPD-CQSZACIVSA-N 1 0 347.484 3.184 40 0 EGABRO C[C@H]1C[C@H](C)C[NH+](CCNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000096414280 454331452 /nfs/dbraw/zinc/33/14/52/454331452.db2.gz DXCYJKXBVNVWOV-KBPBESRZSA-N 1 0 347.484 3.040 40 0 EGABRO C[NH+](C)C[C@H]1CSCCCN1C(=O)CCSc1ccccc1 ZINC000090700127 454336632 /nfs/dbraw/zinc/33/66/32/454336632.db2.gz VSTOTXAZZKIVCO-HNNXBMFYSA-N 1 0 338.542 3.065 40 0 EGABRO CCOc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1OCC ZINC000061553559 454345164 /nfs/dbraw/zinc/34/51/64/454345164.db2.gz FXAPTWDRLVXFNL-UHFFFAOYSA-N 1 0 348.487 3.336 40 0 EGABRO C[N@H+](Cc1csc(-c2ccccn2)n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000096443451 454351665 /nfs/dbraw/zinc/35/16/65/454351665.db2.gz LMHLJPDKPLJGFO-BMFZPTHFSA-N 1 0 329.469 3.450 40 0 EGABRO CCCC[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(N)=O ZINC000079029835 454358045 /nfs/dbraw/zinc/35/80/45/454358045.db2.gz CNPDOZSNBHBNLO-MRXNPFEDSA-N 1 0 338.879 3.022 40 0 EGABRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(OC3CCCCC3)cc2)C1 ZINC000096491619 454369068 /nfs/dbraw/zinc/36/90/68/454369068.db2.gz LGPIQGCWVOACCQ-INIZCTEOSA-N 1 0 337.485 3.065 40 0 EGABRO CCc1c(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cnn1CC(C)C ZINC000096499595 454371168 /nfs/dbraw/zinc/37/11/68/454371168.db2.gz PXAHANOUXZAAQS-YJBOKZPZSA-N 1 0 347.507 3.050 40 0 EGABRO Cc1cc(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)no1 ZINC000062363210 454375105 /nfs/dbraw/zinc/37/51/05/454375105.db2.gz MCNALPVLMVBSKO-LJQANCHMSA-N 1 0 341.455 3.115 40 0 EGABRO C[NH+](C)C[C@H]1CCN(C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000097101601 454407634 /nfs/dbraw/zinc/40/76/34/454407634.db2.gz GBBRMPYXYVCAIH-CYBMUJFWSA-N 1 0 341.908 3.025 40 0 EGABRO CC(C)[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000091280670 454421598 /nfs/dbraw/zinc/42/15/98/454421598.db2.gz CVYZCHWOIQXLQD-DOMZBBRYSA-N 1 0 349.418 3.427 40 0 EGABRO COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)cc1C ZINC000091555618 454446593 /nfs/dbraw/zinc/44/65/93/454446593.db2.gz RHMDAVBACKNSHU-TZMCWYRMSA-N 1 0 347.415 3.082 40 0 EGABRO Cc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000064521279 454489469 /nfs/dbraw/zinc/48/94/69/454489469.db2.gz PKUJKIBEIOCUHU-QGZVFWFLSA-N 1 0 343.496 3.022 40 0 EGABRO C[C@H](CC[NH2+][C@@H]1CCc2c1cccc2Br)[S@@](C)=O ZINC000110705146 454852321 /nfs/dbraw/zinc/85/23/21/454852321.db2.gz LACQNTZIRDSNLO-RUHJCQMXSA-N 1 0 330.291 3.183 40 0 EGABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000126892876 454925115 /nfs/dbraw/zinc/92/51/15/454925115.db2.gz DZSDMGVDGMQLRC-SECBINFHSA-N 1 0 331.641 3.383 40 0 EGABRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000245338710 455282452 /nfs/dbraw/zinc/28/24/52/455282452.db2.gz NYZQYVUBBAZJFI-KPFFTGBYSA-N 1 0 344.499 3.184 40 0 EGABRO Cc1ncsc1CN1CC2(C1)C[C@@H](OCc1cccnc1)CS2 ZINC000248019064 455670414 /nfs/dbraw/zinc/67/04/14/455670414.db2.gz IKKVNHPOLNFUNY-OAHLLOKOSA-N 1 0 347.509 3.123 40 0 EGABRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)on1 ZINC000192760003 455687682 /nfs/dbraw/zinc/68/76/82/455687682.db2.gz DKAOFWMTQNYOIH-YQQAZPJKSA-N 1 0 343.427 3.068 40 0 EGABRO C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@@H]2[NH2+]CCN ZINC000252462549 455805528 /nfs/dbraw/zinc/80/55/28/455805528.db2.gz UCLYPBSPTCWPOQ-FLFMNZAJSA-N 1 0 334.548 3.307 40 0 biogenic EGABRO CSc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252487572 455810265 /nfs/dbraw/zinc/81/02/65/455810265.db2.gz ZAJALAGMSRMVLZ-JKIFEVAISA-N 1 0 335.517 3.451 40 0 EGABRO C[N@H+](CC(=O)Nc1nccs1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000253426773 455844898 /nfs/dbraw/zinc/84/48/98/455844898.db2.gz AYKHGFVGHFGOJI-CABCVRRESA-N 1 0 349.431 3.073 40 0 EGABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3c(C)onc3C(C)C)C2)c1 ZINC000257282168 455881176 /nfs/dbraw/zinc/88/11/76/455881176.db2.gz OSRBEUMUBXYMHN-AWEZNQCLSA-N 1 0 342.443 3.481 40 0 EGABRO CCCCc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@@H+]3C)[nH]n1 ZINC000257277678 455881365 /nfs/dbraw/zinc/88/13/65/455881365.db2.gz NYYKURUXJMUKNL-BOLBYERCSA-N 1 0 344.503 3.230 40 0 EGABRO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000257279041 455881865 /nfs/dbraw/zinc/88/18/65/455881865.db2.gz OETICCMDQMMBQI-MRXNPFEDSA-N 1 0 328.416 3.064 40 0 EGABRO Cc1cccnc1Nc1cc([C@@H]2CCCN2Cc2cc[nH]n2)nc(C)n1 ZINC000257292453 455884125 /nfs/dbraw/zinc/88/41/25/455884125.db2.gz QLNHQLSPASXKMZ-KRWDZBQOSA-N 1 0 349.442 3.292 40 0 EGABRO Cc1nc(C)c(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@@H+]3C)s1 ZINC000257306795 455888028 /nfs/dbraw/zinc/88/80/28/455888028.db2.gz SVYDVFMAOFHSND-RMRDIRSESA-N 1 0 347.528 3.166 40 0 EGABRO Cc1ncsc1C[N@@H+]1CCC2(CC(Nc3cc(C)ncn3)C2)C1 ZINC000257340875 455895771 /nfs/dbraw/zinc/89/57/71/455895771.db2.gz ZHWZTMOQMRLFHH-UHFFFAOYSA-N 1 0 329.473 3.017 40 0 EGABRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)C12CCC2 ZINC000194999155 455911432 /nfs/dbraw/zinc/91/14/32/455911432.db2.gz VLRCQTVAWCBNTM-NXOAAHMSSA-N 1 0 333.476 3.060 40 0 EGABRO Cc1ccc([C@@](C)(O)C[NH2+]C2CCC(O)(c3cccc(F)c3)CC2)o1 ZINC000195560710 455985272 /nfs/dbraw/zinc/98/52/72/455985272.db2.gz JWOCZZYNPAWPDF-SYYJFZTOSA-N 1 0 347.430 3.355 40 0 EGABRO Cc1c2cc(F)ccc2oc1CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272711964 456048949 /nfs/dbraw/zinc/04/89/49/456048949.db2.gz HSWFKNWYSZWWJS-CYBMUJFWSA-N 1 0 345.418 3.330 40 0 EGABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225611214 456099127 /nfs/dbraw/zinc/09/91/27/456099127.db2.gz XPYCWHQHEQHOKU-IBGZPJMESA-N 1 0 334.460 3.305 40 0 EGABRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCOc2ccccc21 ZINC000225901500 456108032 /nfs/dbraw/zinc/10/80/32/456108032.db2.gz HXVKLQZOXXBQPL-GOSISDBHSA-N 1 0 336.435 3.324 40 0 EGABRO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccco1)C2 ZINC000503832919 458726741 /nfs/dbraw/zinc/72/67/41/458726741.db2.gz YBJIHEIWDGJRLF-DOTOQJQBSA-N 1 0 338.398 3.186 40 0 EGABRO Cc1ncc(C[N@@H+]2CCC[C@@]3(CN(CC4CCCCC4)C3=O)C2)s1 ZINC000585099416 459823495 /nfs/dbraw/zinc/82/34/95/459823495.db2.gz IVJHSHVLGVDIRA-IBGZPJMESA-N 1 0 347.528 3.456 40 0 EGABRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cnc(-c2ccccc2)o1 ZINC000585140676 459829437 /nfs/dbraw/zinc/82/94/37/459829437.db2.gz ISBCPVYKKYIOPK-UHFFFAOYSA-N 1 0 339.395 3.139 40 0 EGABRO CC(=O)N1CCC[C@H]([NH2+]Cc2ccccn2)[C@@H]1Cc1cccc(C)c1 ZINC000585284386 459832162 /nfs/dbraw/zinc/83/21/62/459832162.db2.gz FHLFLEOUOZPZMI-SFTDATJTSA-N 1 0 337.467 3.102 40 0 EGABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000585290091 459833663 /nfs/dbraw/zinc/83/36/63/459833663.db2.gz ZXBIEZMICSFKSY-RCCFBDPRSA-N 1 0 332.831 3.186 40 0 EGABRO CS[C@H](C)CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000153135120 534051948 /nfs/dbraw/zinc/05/19/48/534051948.db2.gz YSIVEKWAOAXFDR-OAHLLOKOSA-N 1 0 335.517 3.010 40 0 EGABRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000091060650 519716204 /nfs/dbraw/zinc/71/62/04/519716204.db2.gz XKFHEMFATZECPT-IRXDYDNUSA-N 1 0 340.471 3.045 40 0 EGABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)nc1 ZINC000257255138 536020248 /nfs/dbraw/zinc/02/02/48/536020248.db2.gz KGGKIYGQFRRKHS-SFHVURJKSA-N 1 0 327.403 3.260 40 0 EGABRO Cc1ccccc1O[C@@H](C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000215959717 547238949 /nfs/dbraw/zinc/23/89/49/547238949.db2.gz UCOFJZFXETWPBD-NUJGCVRESA-N 1 0 332.488 3.247 40 0 EGABRO Cc1csc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1Cl ZINC000333345256 547533601 /nfs/dbraw/zinc/53/36/01/547533601.db2.gz ZBIYTUUNBDPSNT-OLZOCXBDSA-N 1 0 342.892 3.068 40 0 EGABRO Cc1c(Cl)cccc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228926270 564118137 /nfs/dbraw/zinc/11/81/37/564118137.db2.gz ONPFTQANDIRENR-UHFFFAOYSA-N 1 0 342.834 3.456 40 0 EGABRO Cc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1Cl ZINC000228923685 575000067 /nfs/dbraw/zinc/00/00/67/575000067.db2.gz JRBQPMLVTOIYOJ-UHFFFAOYSA-N 1 0 342.834 3.456 40 0 EGABRO O=c1c2ccccc2nc(CC[NH+]2CCCCC2)n1-c1ccccc1 ZINC000107864592 1293072484 /nfs/dbraw/zinc/07/24/84/1293072484.db2.gz YTXGCBZSAXMOAV-UHFFFAOYSA-N 1 0 333.435 3.414 40 0 EGABRO COC[C@H](C)NC(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000199419646 1296088452 /nfs/dbraw/zinc/08/84/52/1296088452.db2.gz FCZNIUKOJWSGOG-INIZCTEOSA-N 1 0 340.467 3.203 40 0 EGABRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)ccc1Br ZINC000046860244 213812481 /nfs/dbraw/zinc/81/24/81/213812481.db2.gz JUFSUFKRSMJUJJ-NSHDSACASA-N 1 0 343.240 3.192 40 0 EGABRO CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1[NH2+]Cc1ccccc1F ZINC000067889752 215241900 /nfs/dbraw/zinc/24/19/00/215241900.db2.gz SRKKONVUDXNTRA-KDOFPFPSSA-N 1 0 332.419 3.096 40 0 biogenic,in-vitro EGABRO C[NH+](C)[C@H](CNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1 ZINC000040157495 213275539 /nfs/dbraw/zinc/27/55/39/213275539.db2.gz FKQFCXAQIBIKNT-LJQANCHMSA-N 1 0 337.398 3.407 40 0 EGABRO CCOc1ccc(/C=C/C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000040108044 213267270 /nfs/dbraw/zinc/26/72/70/213267270.db2.gz FRFZDVQIRQFWMO-DCBYGEANSA-N 1 0 330.472 3.335 40 0 EGABRO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849962 213228447 /nfs/dbraw/zinc/22/84/47/213228447.db2.gz ZZCFEGLTZUPWMI-KRWDZBQOSA-N 1 0 343.858 3.263 40 0 EGABRO C[C@H]1Cc2cc([C@@H](O)C[N@@H+]3CCC[C@@H](C)C3)ccc2N1C(=O)C1CC1 ZINC000036740056 213114619 /nfs/dbraw/zinc/11/46/19/213114619.db2.gz FDLHJHJBOZDUPA-SIFCLUCFSA-N 1 0 342.483 3.140 40 0 EGABRO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000036079731 213060746 /nfs/dbraw/zinc/06/07/46/213060746.db2.gz SUVMUGYORVNEIW-IBGZPJMESA-N 1 0 344.480 3.110 40 0 EGABRO C[NH+](C)CC[C@](O)(c1ccc(Br)cc1)c1cccnc1 ZINC000035636651 213044362 /nfs/dbraw/zinc/04/43/62/213044362.db2.gz YAYXSVOPNBARLP-INIZCTEOSA-N 1 0 335.245 3.032 40 0 in-vitro EGABRO c1cn(-c2nccnc2C2CC[NH+](CCCc3ccccc3)CC2)cn1 ZINC000072350644 216162658 /nfs/dbraw/zinc/16/26/58/216162658.db2.gz SYISRUYIYDHNMK-UHFFFAOYSA-N 1 0 347.466 3.475 40 0 EGABRO C[C@H](CCO)[NH+]1CCC(c2csc(Nc3ccccn3)n2)CC1 ZINC000072363702 216170093 /nfs/dbraw/zinc/17/00/93/216170093.db2.gz FVZIQJLOXATNPK-CYBMUJFWSA-N 1 0 332.473 3.232 40 0 EGABRO CCCn1cc(C[N@@H+]2CCC[C@H]2c2cccc(-n3ccnc3)n2)cn1 ZINC000072366773 216171034 /nfs/dbraw/zinc/17/10/34/216171034.db2.gz QNTAMOGMCLZEFS-SFHVURJKSA-N 1 0 336.443 3.211 40 0 EGABRO c1cncc(Oc2cncc([C@H]3CCC[N@H+](C4CCOCC4)C3)n2)c1 ZINC000072384250 216185007 /nfs/dbraw/zinc/18/50/07/216185007.db2.gz SCDQHDODWAWDEJ-HNNXBMFYSA-N 1 0 340.427 3.022 40 0 EGABRO C[C@H]1C[NH+](Cc2c3cccnc3[nH]c2C2CCOCC2)C[C@H](C)O1 ZINC000072394990 216193175 /nfs/dbraw/zinc/19/31/75/216193175.db2.gz PEJHWGRRIHCAST-KBPBESRZSA-N 1 0 329.444 3.066 40 0 EGABRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC000072605837 216280993 /nfs/dbraw/zinc/28/09/93/216280993.db2.gz DOGAMQSUGDQFJK-ZIAGYGMSSA-N 1 0 344.546 3.382 40 0 EGABRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC000072605832 216281050 /nfs/dbraw/zinc/28/10/50/216281050.db2.gz DOGAMQSUGDQFJK-KBPBESRZSA-N 1 0 344.546 3.382 40 0 EGABRO CC(=O)c1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)s1 ZINC000021939090 212264686 /nfs/dbraw/zinc/26/46/86/212264686.db2.gz KCQPOSDHJRTVHZ-UHFFFAOYSA-N 1 0 330.453 3.203 40 0 EGABRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(C)n1 ZINC000253369588 243878062 /nfs/dbraw/zinc/87/80/62/243878062.db2.gz FFPVIBCNUKNKOD-JLJPHGGASA-N 1 0 348.491 3.437 40 0 EGABRO C[C@@H]1C[N@H+](Cc2cccs2)CC[C@]12CC[C@H](C(=O)N1CCCC1)O2 ZINC000253604170 244036377 /nfs/dbraw/zinc/03/63/77/244036377.db2.gz VLRRGWVMGZTWDZ-SZVBFZGTSA-N 1 0 348.512 3.130 40 0 EGABRO COc1cccc(C(=O)N2CCC[C@@H]2c2ccc(C[NH+](C)C)cn2)c1 ZINC000257224124 244195810 /nfs/dbraw/zinc/19/58/10/244195810.db2.gz FAKVRWBTJJWSCU-LJQANCHMSA-N 1 0 339.439 3.129 40 0 EGABRO COCC(=O)N1CCCCC[C@@H]2[N@H+](C)[C@H](c3ccccc3)C[C@@]21C ZINC000257225794 244198155 /nfs/dbraw/zinc/19/81/55/244198155.db2.gz FHVYZLZINZXINC-BJLQDIEVSA-N 1 0 330.472 3.240 40 0 EGABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[NH2+]2 ZINC000257256867 244283472 /nfs/dbraw/zinc/28/34/72/244283472.db2.gz KNFXDKJUSMUHDF-NYYTWLDWSA-N 1 0 341.430 3.361 40 0 EGABRO CCCn1nccc1-c1cncc(CC2CC[NH+](C(C)C)CC2)n1 ZINC000257270159 244374855 /nfs/dbraw/zinc/37/48/55/244374855.db2.gz MTAGLZKPTYZCCA-UHFFFAOYSA-N 1 0 327.476 3.413 40 0 EGABRO COc1cccc(C[C@H]2CC3(CO2)CC[NH+](C2CCOCC2)CC3)c1 ZINC000257263655 244356768 /nfs/dbraw/zinc/35/67/68/244356768.db2.gz LQXKRMHVMLXCKF-FQEVSTJZSA-N 1 0 345.483 3.288 40 0 EGABRO Cc1cc(-c2nccn2C)nc([C@@H]2CC[N@H+](Cc3ccsc3)C2)n1 ZINC000257271801 244380842 /nfs/dbraw/zinc/38/08/42/244380842.db2.gz MZVVBMGWFCRLTK-OAHLLOKOSA-N 1 0 339.468 3.237 40 0 EGABRO COc1ccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1OC ZINC000019880266 212078396 /nfs/dbraw/zinc/07/83/96/212078396.db2.gz COAFVAZGXRKZFS-NZSAHSFTSA-N 1 0 342.483 3.034 40 0 EGABRO CC(C)(C)OC(=O)N(COCC[Si](C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000261507167 244595629 /nfs/dbraw/zinc/59/56/29/244595629.db2.gz GDLFDZVESQQPTK-CQSZACIVSA-N 1 0 330.545 3.288 40 0 EGABRO CCc1cc(CNC(=O)CC2CC[NH+](C3CCCCC3)CC2)on1 ZINC000019748868 212062617 /nfs/dbraw/zinc/06/26/17/212062617.db2.gz DFVGSYSOWLJOPV-UHFFFAOYSA-N 1 0 333.476 3.288 40 0 EGABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000019575930 212045725 /nfs/dbraw/zinc/04/57/25/212045725.db2.gz XNIGATOWDBZRCB-SOUVJXGZSA-N 1 0 346.858 3.239 40 0 EGABRO COc1ccc(-c2cc([C@H]3CC[N@H+](Cc4cccnc4)C3)[nH]n2)cc1 ZINC000019557943 212042315 /nfs/dbraw/zinc/04/23/15/212042315.db2.gz NQLCZQIEKQHEHX-KRWDZBQOSA-N 1 0 334.423 3.470 40 0 EGABRO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)no1)N1CCCC1 ZINC000019371966 212022579 /nfs/dbraw/zinc/02/25/79/212022579.db2.gz RKDCRMBGEAYESI-QGZVFWFLSA-N 1 0 339.439 3.290 40 0 EGABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CCC2)Cc2c[nH]c3cccc1c23 ZINC000049171381 213992932 /nfs/dbraw/zinc/99/29/32/213992932.db2.gz UBQLBGCQDVZNEM-ROUUACIJSA-N 1 0 325.456 3.438 40 0 biogenic,in-vitro EGABRO COc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@](O)(c3ccc(C)cn3)[C@@H]2C1 ZINC000019216022 212005559 /nfs/dbraw/zinc/00/55/59/212005559.db2.gz KBTFSGGCSJQACR-CDXJDZJCSA-N 1 0 338.451 3.128 40 0 EGABRO C[C@H](c1cccnc1)N(C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000078926003 217148990 /nfs/dbraw/zinc/14/89/90/217148990.db2.gz IYFXKZKTQABYJS-DLBZAZTESA-N 1 0 340.471 3.305 40 0 EGABRO Cc1csc([C@H](C)NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000078925553 217149268 /nfs/dbraw/zinc/14/92/68/217149268.db2.gz GUGISWAMHIICCC-GJZGRUSLSA-N 1 0 346.500 3.332 40 0 EGABRO CCOc1cc(C[NH2+]C)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000016688930 211929601 /nfs/dbraw/zinc/92/96/01/211929601.db2.gz RIKNXLOWEVYDKQ-UHFFFAOYSA-N 1 0 328.412 3.131 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(NC(C)=O)c1 ZINC000079101274 217192652 /nfs/dbraw/zinc/19/26/52/217192652.db2.gz URRHFIUTYQKZMV-QGZVFWFLSA-N 1 0 332.448 3.031 40 0 EGABRO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000079289688 217205130 /nfs/dbraw/zinc/20/51/30/217205130.db2.gz WBJLMMKVVYHXDN-QGZVFWFLSA-N 1 0 341.430 3.058 40 0 EGABRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1COc2ccccc21 ZINC000079309496 217206171 /nfs/dbraw/zinc/20/61/71/217206171.db2.gz YXJLKIUQFQFLGW-MRXNPFEDSA-N 1 0 336.391 3.358 40 0 EGABRO CC[N@H+](C)[C@H]1CN(C(=O)COc2ccccc2)C2(C1)CCCCC2 ZINC000257275272 284371764 /nfs/dbraw/zinc/37/17/64/284371764.db2.gz NOQMNWLELPWVGH-QGZVFWFLSA-N 1 0 330.472 3.321 40 0 EGABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccccc1 ZINC000012293300 211335142 /nfs/dbraw/zinc/33/51/42/211335142.db2.gz LCAKEVQNPLJYRL-RBUKOAKNSA-N 1 0 339.435 3.071 40 0 EGABRO C=Cn1ncc(C[N@@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)c1C ZINC000012188839 211315768 /nfs/dbraw/zinc/31/57/68/211315768.db2.gz UOCOACRGKUMYSB-LJQANCHMSA-N 1 0 329.419 3.305 40 0 EGABRO COc1cccc(N2CCC[N@H+](Cc3cnc(C(C)C)nc3)CC2)c1 ZINC000012148149 211308350 /nfs/dbraw/zinc/30/83/50/211308350.db2.gz OFNDIKKLMYPAKV-UHFFFAOYSA-N 1 0 340.471 3.321 40 0 EGABRO CC[NH+](CC)CCCN1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000011691655 211235869 /nfs/dbraw/zinc/23/58/69/211235869.db2.gz IMZQDYYDZCUCTC-UHFFFAOYSA-N 1 0 336.435 3.266 40 0 EGABRO O=S(=O)(Cc1ccc(Cl)cc1)NCCC[NH+]1CCCCCC1 ZINC000010111332 211148527 /nfs/dbraw/zinc/14/85/27/211148527.db2.gz BXRFTBMCCBNGAG-UHFFFAOYSA-N 1 0 344.908 3.026 40 0 EGABRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 ZINC000009861946 211128278 /nfs/dbraw/zinc/12/82/78/211128278.db2.gz QUWLSGPWMDGNIT-IIBYNOLFSA-N 1 0 340.467 3.068 40 0 EGABRO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1 ZINC000009861935 211128132 /nfs/dbraw/zinc/12/81/32/211128132.db2.gz QUWLSGPWMDGNIT-KKSFZXQISA-N 1 0 340.467 3.068 40 0 EGABRO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)c1 ZINC000095420981 218362398 /nfs/dbraw/zinc/36/23/98/218362398.db2.gz NRRUILMHAAYNAF-ZDUSSCGKSA-N 1 0 329.419 3.102 40 0 EGABRO Cc1ccccc1NC(=O)C[NH+]1CCC(n2nnc3ccccc32)CC1 ZINC000004895182 210313961 /nfs/dbraw/zinc/31/39/61/210313961.db2.gz RUHJJAHVLMSUIA-UHFFFAOYSA-N 1 0 349.438 3.015 40 0 EGABRO C[NH2+]Cc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000006871658 257865661 /nfs/dbraw/zinc/86/56/61/257865661.db2.gz JXABPBCXSDMJLF-UHFFFAOYSA-N 1 0 337.217 3.151 40 0 EGABRO CCCOC(=O)c1cc(-n2cccc2)ccc1N1CC[NH+](CC)CC1 ZINC000226277777 135593469 /nfs/dbraw/zinc/59/34/69/135593469.db2.gz MCTJAXBITUPSKK-UHFFFAOYSA-N 1 0 341.455 3.186 40 0 EGABRO O=C(c1sc2ccccc2c1C[C@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000257201440 275016535 /nfs/dbraw/zinc/01/65/35/275016535.db2.gz AHSHDICUPOWYNI-CQSZACIVSA-N 1 0 344.480 3.058 40 0 EGABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21 ZINC000096052565 277232466 /nfs/dbraw/zinc/23/24/66/277232466.db2.gz HRZSJHXGBBPRFZ-QGZVFWFLSA-N 1 0 338.451 3.437 40 0 EGABRO CC(C)[C@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019445963 280358725 /nfs/dbraw/zinc/35/87/25/280358725.db2.gz HTTKVNSQFOKVQJ-GOSISDBHSA-N 1 0 346.523 3.046 40 0 EGABRO COc1cc(NC2CC[NH+](CC3CCC(=O)CC3)CC2)cc(OC)c1 ZINC000294831886 308261792 /nfs/dbraw/zinc/26/17/92/308261792.db2.gz AELFXNQGHQTARU-UHFFFAOYSA-N 1 0 346.471 3.339 40 0 EGABRO CC[C@H](CC1CCCC1)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333347520 308857476 /nfs/dbraw/zinc/85/74/76/308857476.db2.gz ZPCVYMDZRNYKDK-NZSAHSFTSA-N 1 0 336.520 3.338 40 0 EGABRO O=C(Nc1ccc2c(c1)COC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000097103689 323215081 /nfs/dbraw/zinc/21/50/81/323215081.db2.gz BAPFSOJDFZWJBQ-HNNXBMFYSA-N 1 0 329.444 3.057 40 0 EGABRO CSCc1ccccc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000102317140 323215920 /nfs/dbraw/zinc/21/59/20/323215920.db2.gz PVHOXVJJWVHCJQ-UHFFFAOYSA-N 1 0 331.485 3.418 40 0 EGABRO CCc1ccc([C@@H]2[C@@H](C[NH3+])[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000242688574 455272384 /nfs/dbraw/zinc/27/23/84/455272384.db2.gz VTEDGAUWJJZECN-GUDVDZBRSA-N 1 0 329.465 3.072 40 0 EGABRO CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COC[C@@H]1CC=CCC1 ZINC000000110065 452509947 /nfs/dbraw/zinc/50/99/47/452509947.db2.gz GAHNUXUZIZSIOF-MSOLQXFVSA-N 1 0 343.491 3.152 40 0 EGABRO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000001470030 452668037 /nfs/dbraw/zinc/66/80/37/452668037.db2.gz NHWKTCALBUGZNS-OAHLLOKOSA-N 1 0 341.879 3.094 40 0 EGABRO O=C(OCC[NH+]1CCCCC1)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000001711007 452673916 /nfs/dbraw/zinc/67/39/16/452673916.db2.gz ULSFDMDCOKMGSL-OAQYLSRUSA-N 1 0 345.483 3.484 40 0 EGABRO Cc1nn(CCC(=O)N[C@H](C)C[NH+](C(C)C)C(C)C)c(C)c1Cl ZINC000002781464 452722659 /nfs/dbraw/zinc/72/26/59/452722659.db2.gz CHVKMSPZZYJRIZ-CYBMUJFWSA-N 1 0 342.915 3.167 40 0 EGABRO COc1ccccc1[N+]1=C2CCCCN2[C@](O)(c2cccs2)C1 ZINC000002966246 452735752 /nfs/dbraw/zinc/73/57/52/452735752.db2.gz FOHBSXVXHOXBND-GOSISDBHSA-N 1 0 329.445 3.017 40 0 EGABRO [NH3+][C@@H]1CON(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O ZINC000006578911 452956547 /nfs/dbraw/zinc/95/65/47/452956547.db2.gz JOVDWBKFWSRIOX-HXUWFJFHSA-N 1 0 344.414 3.080 40 0 EGABRO C[NH2+]CCCNCc1cccc(OC)c1OCc1ccccc1F ZINC000008377233 453198985 /nfs/dbraw/zinc/19/89/85/453198985.db2.gz BIXURFCFEZTSOB-UHFFFAOYSA-N 1 0 332.419 3.112 40 0 EGABRO Cc1ccccc1NC(=[NH2+])Nc1nc(C)c(Cc2ccccc2)c(=O)[nH]1 ZINC000009264459 453249839 /nfs/dbraw/zinc/24/98/39/453249839.db2.gz FFOPGFQYSWEABK-UHFFFAOYSA-N 1 0 347.422 3.436 40 0 EGABRO Cc1cc(-c2cnc(N3CCC[C@H](C)C3)nc2C2CC[NH2+]CC2)on1 ZINC000012234105 453352059 /nfs/dbraw/zinc/35/20/59/453352059.db2.gz IIUBXNBAUSJHDD-ZDUSSCGKSA-N 1 0 341.459 3.143 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC(O)(c2cccc(C)c2)CC1 ZINC000013996262 453496216 /nfs/dbraw/zinc/49/62/16/453496216.db2.gz ZDDIRYNJMXEDFD-IBGZPJMESA-N 1 0 344.499 3.070 40 0 EGABRO O[C@@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000014138617 453510662 /nfs/dbraw/zinc/51/06/62/453510662.db2.gz TVLVXPUNKAWTML-IRLDBZIGSA-N 1 0 337.463 3.500 40 0 EGABRO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@H+](CC2CCCCC2)C1 ZINC000015674614 453581709 /nfs/dbraw/zinc/58/17/09/453581709.db2.gz XJSDQAJBZBBRBC-MSOLQXFVSA-N 1 0 341.455 3.348 40 0 biogenic,in-vitro EGABRO CCOc1ccccc1NC(=S)NCCC[NH+]1CCC(C)CC1 ZINC000018168919 453645871 /nfs/dbraw/zinc/64/58/71/453645871.db2.gz NDFKRWUETQMTFC-UHFFFAOYSA-N 1 0 335.517 3.494 40 0 EGABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000019712510 453658832 /nfs/dbraw/zinc/65/88/32/453658832.db2.gz SEOPNVBLQSHLKM-ZWKOTPCHSA-N 1 0 329.419 3.396 40 0 EGABRO CCOc1ccc([C@@H]2SC(=[NH2+])N[C@H]2[C@H](O)c2ccccc2)cc1 ZINC000033746450 453917083 /nfs/dbraw/zinc/91/70/83/453917083.db2.gz VVRSZSPECIFBQS-BBWFWOEESA-N 1 0 328.437 3.290 40 0 EGABRO C[NH+](C)Cc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000044276951 454094237 /nfs/dbraw/zinc/09/42/37/454094237.db2.gz ZZXVHMOXXIYSCO-UHFFFAOYSA-N 1 0 338.455 3.102 40 0 EGABRO C[C@@](CO)([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)C1CCCCC1 ZINC000077656785 454136196 /nfs/dbraw/zinc/13/61/96/454136196.db2.gz MJBPMWNWSJWODL-NRFANRHFSA-N 1 0 344.499 3.344 40 0 EGABRO COc1ccc(COc2cccc(F)c2)cc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000070810058 454177360 /nfs/dbraw/zinc/17/73/60/454177360.db2.gz JQUQFXGGVSNEDB-MRXNPFEDSA-N 1 0 344.386 3.104 40 0 EGABRO CC(=O)[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CN(Cc1ccccc1)CC2 ZINC000095951351 454237308 /nfs/dbraw/zinc/23/73/08/454237308.db2.gz NAQDPPKYOPYIBF-VSKRKVRLSA-N 1 0 334.463 3.428 40 0 biogenic EGABRO c1coc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC000096040219 454266404 /nfs/dbraw/zinc/26/64/04/454266404.db2.gz JJXWLGXJZZLBOO-WOJBJXKFSA-N 1 0 342.439 3.263 40 0 EGABRO Cc1ncsc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039919 454266651 /nfs/dbraw/zinc/26/66/51/454266651.db2.gz SEWYPOTXDYBQCO-ZWKOTPCHSA-N 1 0 336.501 3.249 40 0 EGABRO COc1ccc(C[NH+]2CCC3(CCN(CC(C)C)C3=O)CC2)cc1 ZINC000096046770 454269299 /nfs/dbraw/zinc/26/92/99/454269299.db2.gz ZYMLNYPCQHELGQ-UHFFFAOYSA-N 1 0 330.472 3.166 40 0 EGABRO Fc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047643 454269314 /nfs/dbraw/zinc/26/93/14/454269314.db2.gz VFYGVLVBNRIIJU-QFBILLFUSA-N 1 0 345.393 3.205 40 0 EGABRO c1csc(CN2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)n1 ZINC000096047198 454269531 /nfs/dbraw/zinc/26/95/31/454269531.db2.gz VSAPSQQCWBSETJ-UHFFFAOYSA-N 1 0 342.512 3.416 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncc(F)cn2)C3)s1 ZINC000096047179 454269989 /nfs/dbraw/zinc/26/99/89/454269989.db2.gz UTUSWPOXYLWIRB-GOSISDBHSA-N 1 0 346.475 3.478 40 0 EGABRO Fc1cnc(N2CCC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)nc1 ZINC000096047174 454270253 /nfs/dbraw/zinc/27/02/53/454270253.db2.gz XIHAUTCLUGHFLR-KRWDZBQOSA-N 1 0 332.448 3.170 40 0 EGABRO c1csc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c1 ZINC000096047873 454271185 /nfs/dbraw/zinc/27/11/85/454271185.db2.gz ROAXHENFOWZOQU-KRWDZBQOSA-N 1 0 344.480 3.483 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(CC[C@@H]3NC(=O)c3ccn(C)c3)CC2)o1 ZINC000096051694 454272625 /nfs/dbraw/zinc/27/26/25/454272625.db2.gz IAFAKOHBYKWHJL-SFHVURJKSA-N 1 0 341.455 3.101 40 0 EGABRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4c(C)noc4C)C3)CC2=O)s1 ZINC000096050868 454272968 /nfs/dbraw/zinc/27/29/68/454272968.db2.gz KTGCCOVSLHNXKI-GOSISDBHSA-N 1 0 345.468 3.290 40 0 EGABRO Cc1ccsc1C[N@@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096065884 454277870 /nfs/dbraw/zinc/27/78/70/454277870.db2.gz QUAGYYYOCXMJKL-JENIJYKNSA-N 1 0 344.480 3.400 40 0 EGABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)c1ccsc1)[C@H]2C ZINC000096061989 454278836 /nfs/dbraw/zinc/27/88/36/454278836.db2.gz OZWLNWAPOUWILK-ZDUSSCGKSA-N 1 0 332.473 3.002 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1ccccn1)CC2 ZINC000096075287 454279602 /nfs/dbraw/zinc/27/96/02/454279602.db2.gz LOROBPXIIYUAMU-UHFFFAOYSA-N 1 0 340.471 3.317 40 0 EGABRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1Br ZINC000046860129 454292958 /nfs/dbraw/zinc/29/29/58/454292958.db2.gz BWJBHJFQIAKTLM-LBPRGKRZSA-N 1 0 325.250 3.053 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3Cc2cccc(C)n2)o1 ZINC000096186528 454300072 /nfs/dbraw/zinc/30/00/72/454300072.db2.gz GQCAFJZFJPLMAS-OALUTQOASA-N 1 0 339.439 3.057 40 0 EGABRO COC[C@@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)[N@@H+]1CC1CC1 ZINC000096207188 454303887 /nfs/dbraw/zinc/30/38/87/454303887.db2.gz XURDFFNVSCRFHX-IBGZPJMESA-N 1 0 342.483 3.182 40 0 EGABRO c1coc(C[NH+]2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)c1 ZINC000096209749 454305961 /nfs/dbraw/zinc/30/59/61/454305961.db2.gz YNLJJVLBSOLIHN-QGZVFWFLSA-N 1 0 342.439 3.372 40 0 EGABRO O=C(CC1CC1)NC[C@@H]1CCC[C@]2(CC[N@H+](Cc3ccsc3)C2)O1 ZINC000096219202 454307207 /nfs/dbraw/zinc/30/72/07/454307207.db2.gz QZSKXHRHWCJMPV-PKOBYXMFSA-N 1 0 348.512 3.178 40 0 EGABRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4cccnc4)C3)CC2=O)s1 ZINC000096239335 454310243 /nfs/dbraw/zinc/31/02/43/454310243.db2.gz WYTBAGAJVPJZCV-SFHVURJKSA-N 1 0 327.453 3.081 40 0 EGABRO O=C(c1ncoc1[C@H]1CCCO1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000096406354 454324403 /nfs/dbraw/zinc/32/44/03/454324403.db2.gz YHCZQZCAOAWVOR-JKSUJKDBSA-N 1 0 347.459 3.007 40 0 EGABRO CS[C@H](C)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000090726308 454338696 /nfs/dbraw/zinc/33/86/96/454338696.db2.gz PXGYYMYVQUAYTR-GFCCVEGCSA-N 1 0 326.893 3.286 40 0 EGABRO C[NH+]1CCN(Cc2cccc(NCc3csc(C4CC4)n3)c2)CC1 ZINC000096446414 454353923 /nfs/dbraw/zinc/35/39/23/454353923.db2.gz MPAAHRIARQHAGA-UHFFFAOYSA-N 1 0 342.512 3.380 40 0 EGABRO CC[C@@H]([NH2+]Cc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 ZINC000079030934 454358057 /nfs/dbraw/zinc/35/80/57/454358057.db2.gz DHVWRVOFSIJDID-GOSISDBHSA-N 1 0 332.469 3.323 40 0 EGABRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3ccco3)CC2)cc1 ZINC000096476419 454363065 /nfs/dbraw/zinc/36/30/65/454363065.db2.gz GSAQUZANKQWIDK-OAHLLOKOSA-N 1 0 348.468 3.092 40 0 EGABRO CC(=O)Nc1ccccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120928382 454365117 /nfs/dbraw/zinc/36/51/17/454365117.db2.gz VSFMYGPGXVTXDS-UHFFFAOYSA-N 1 0 349.438 3.067 40 0 EGABRO COc1ccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)nc1 ZINC000096493098 454369778 /nfs/dbraw/zinc/36/97/78/454369778.db2.gz OFPKWKNCENRQND-UHFFFAOYSA-N 1 0 340.423 3.421 40 0 EGABRO COc1cccc2cc([C@@H](C)[NH2+]CC3(N(C)C)CCOCC3)oc21 ZINC000096493400 454369890 /nfs/dbraw/zinc/36/98/90/454369890.db2.gz LBNNYCLDXONESS-CQSZACIVSA-N 1 0 332.444 3.203 40 0 EGABRO Cc1cc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[nH]n1 ZINC000096496348 454370953 /nfs/dbraw/zinc/37/09/53/454370953.db2.gz SMDVHYZFFMIAQH-IICXIOTHSA-N 1 0 348.491 3.169 40 0 EGABRO COc1ccc(C)cc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000097101078 454406224 /nfs/dbraw/zinc/40/62/24/454406224.db2.gz HAJXCNGJSPVQNN-MRXNPFEDSA-N 1 0 331.460 3.343 40 0 EGABRO O[C@@]1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CCSC1 ZINC000097103440 454407167 /nfs/dbraw/zinc/40/71/67/454407167.db2.gz NGXNWDHHRLRUCC-SFHVURJKSA-N 1 0 345.468 3.047 40 0 EGABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCC2CC2)Cc2c[nH]c3cccc1c23 ZINC000049171370 454537100 /nfs/dbraw/zinc/53/71/00/454537100.db2.gz LTEFTYUNYMAJOR-ROUUACIJSA-N 1 0 325.456 3.296 40 0 biogenic,in-vitro EGABRO CN1CCC([N@@H+]2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000049169431 454537558 /nfs/dbraw/zinc/53/75/58/454537558.db2.gz PFZJKDIVITVONW-AWEZNQCLSA-N 1 0 346.862 3.274 40 0 biogenic,in-vitro EGABRO Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(CO)o4)C3)o2)cc1 ZINC000049169920 454537672 /nfs/dbraw/zinc/53/76/72/454537672.db2.gz QBCHJHJDJLLNMU-HNNXBMFYSA-N 1 0 339.395 3.120 40 0 biogenic,in-vitro EGABRO OCc1ccc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000093840961 454739412 /nfs/dbraw/zinc/73/94/12/454739412.db2.gz QUZJWTGOXNJOEX-ZDUSSCGKSA-N 1 0 332.469 3.487 40 0 EGABRO O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](Cc1cncc(Cl)c1)CC2 ZINC000108533821 454802145 /nfs/dbraw/zinc/80/21/45/454802145.db2.gz FCJDSZJIQCNZRO-LJQANCHMSA-N 1 0 347.890 3.350 40 0 EGABRO Clc1ccccc1OC[C@@H]1CCC[N@H+](CCC2OCCO2)C1 ZINC000125192486 454802840 /nfs/dbraw/zinc/80/28/40/454802840.db2.gz XHJBOIWXWHFCRT-CQSZACIVSA-N 1 0 325.836 3.194 40 0 EGABRO O=S1(=O)CCC[C@H]([NH2+]CCSCc2cccc3ccccc32)C1 ZINC000182565052 455541866 /nfs/dbraw/zinc/54/18/66/455541866.db2.gz DTFUCJMVZZMCOV-KRWDZBQOSA-N 1 0 349.521 3.240 40 0 EGABRO c1csc(C[N@H+]2CCO[C@@H]3[C@H]2CC[C@H]3CNc2cccnc2)c1 ZINC000247856776 455650368 /nfs/dbraw/zinc/65/03/68/455650368.db2.gz XUQQWUWQNBINAV-QGTPRVQTSA-N 1 0 329.469 3.235 40 0 EGABRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(N2CCOC2=O)cc1 ZINC000248756010 455729784 /nfs/dbraw/zinc/72/97/84/455729784.db2.gz VFJODHIIHONNLJ-OKDNKWQNSA-N 1 0 342.439 3.251 40 0 EGABRO CCc1onc(C)c1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248941401 455739429 /nfs/dbraw/zinc/73/94/29/455739429.db2.gz YUHVTNHFIVRUPX-CJNGLKHVSA-N 1 0 342.443 3.187 40 0 EGABRO COC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)cc1 ZINC000194102136 455801742 /nfs/dbraw/zinc/80/17/42/455801742.db2.gz XAOWKMCRJGQYNQ-IAGOWNOFSA-N 1 0 346.862 3.076 40 0 EGABRO C[C@@H](c1ccccn1)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000252499787 455814981 /nfs/dbraw/zinc/81/49/81/455814981.db2.gz SEGQCFTUXAQXQO-SFHVURJKSA-N 1 0 331.504 3.357 40 0 EGABRO c1cc(CC[C@@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)ccn1 ZINC000257314363 455889357 /nfs/dbraw/zinc/88/93/57/455889357.db2.gz UWQCBSZTRZLFBI-IBGZPJMESA-N 1 0 337.471 3.069 40 0 EGABRO Cc1cnc([C@@H]2CCC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)s1 ZINC000257340644 455896101 /nfs/dbraw/zinc/89/61/01/455896101.db2.gz ZHAFHPKVWBQXAL-OAHLLOKOSA-N 1 0 343.500 3.221 40 0 EGABRO C[C@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1cccc(OC(F)F)c1 ZINC000261628001 455915980 /nfs/dbraw/zinc/91/59/80/455915980.db2.gz CQYGNGLNARSONR-SMDDNHRTSA-N 1 0 326.387 3.243 40 0 EGABRO Cc1cc(Cl)c([C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1C ZINC000195557622 455984662 /nfs/dbraw/zinc/98/46/62/455984662.db2.gz RJTAEKRQDACSGU-ZDUSSCGKSA-N 1 0 344.908 3.031 40 0 EGABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1 ZINC000223210514 456054162 /nfs/dbraw/zinc/05/41/62/456054162.db2.gz VDAPQANHHFTWQF-HOTGVXAUSA-N 1 0 346.525 3.067 40 0 EGABRO COC(=O)c1cccc(NC(=S)NCCC[NH+]2CCCCCC2)c1 ZINC000225400466 456080285 /nfs/dbraw/zinc/08/02/85/456080285.db2.gz VMCZLOAUJPLACP-UHFFFAOYSA-N 1 0 349.500 3.026 40 0 EGABRO Cn1cncc1C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000188936010 456175907 /nfs/dbraw/zinc/17/59/07/456175907.db2.gz BLZOSYDBRPLNQZ-GFCCVEGCSA-N 1 0 325.243 3.095 40 0 EGABRO c1nc2n(c1-c1ccccc1)C[C@@H]1C[N@@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306134841 456567962 /nfs/dbraw/zinc/56/79/62/456567962.db2.gz NZLKKQREBNZUGH-MOPGFXCFSA-N 1 0 330.435 3.249 40 0 EGABRO CCCC[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2c(C)noc2C)CC1 ZINC000585099915 459823108 /nfs/dbraw/zinc/82/31/08/459823108.db2.gz YDMITGCDRTXLGN-LJQANCHMSA-N 1 0 333.476 3.439 40 0 EGABRO CC(C)COC(=O)NC1CC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000585102737 459823776 /nfs/dbraw/zinc/82/37/76/459823776.db2.gz CKPBGSFLTZWBRH-UHFFFAOYSA-N 1 0 331.460 3.208 40 0 EGABRO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)c1 ZINC000585103213 459823790 /nfs/dbraw/zinc/82/37/90/459823790.db2.gz ADYNPPCJVGHZEE-LJQANCHMSA-N 1 0 347.524 3.498 40 0 EGABRO CC(C)CC[N@@H+]1C[C@@H]2CN(c3cc(C(F)(F)F)ncn3)CC[C@@H]21 ZINC000585108050 459825445 /nfs/dbraw/zinc/82/54/45/459825445.db2.gz XULICNQAFYJWBC-OLZOCXBDSA-N 1 0 328.382 3.052 40 0 EGABRO COC1CC[NH+](CC(C)(C)C(=O)NCc2ccccc2Cl)CC1 ZINC000585141268 459829451 /nfs/dbraw/zinc/82/94/51/459829451.db2.gz SLXVGHZNJBOPTJ-UHFFFAOYSA-N 1 0 338.879 3.093 40 0 EGABRO Cc1ccc2cc(C[N@@H+]3CCC[C@H](c4nnc5n4CCC5)C3)ccc2n1 ZINC000187193438 534466872 /nfs/dbraw/zinc/46/68/72/534466872.db2.gz CCSPGGPLBMTPMO-SFHVURJKSA-N 1 0 347.466 3.461 40 0 EGABRO CC1(C(=O)NCCc2cccnc2)CC[NH+](Cc2ccccc2)CC1 ZINC000161768721 528854094 /nfs/dbraw/zinc/85/40/94/528854094.db2.gz OCIMBCLGSULDRR-UHFFFAOYSA-N 1 0 337.467 3.043 40 0 EGABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225688362 535651466 /nfs/dbraw/zinc/65/14/66/535651466.db2.gz WRBCMMNWHSVATG-LJQANCHMSA-N 1 0 336.476 3.407 40 0 EGABRO COc1ccc2cc(C[NH+]3CCC4(CC3)OCCC[C@H]4O)ccc2c1 ZINC000257265754 537032957 /nfs/dbraw/zinc/03/29/57/537032957.db2.gz MACRLJIVYWIFLD-HXUWFJFHSA-N 1 0 341.451 3.354 40 0 EGABRO C/C1=C\CC/C(C)=C\[C@@H](O)[C@H]2[C@@H](C[NH+]3CCCCC3)C(=O)O[C@H]2C1 ZINC000043736252 213595324 /nfs/dbraw/zinc/59/53/24/213595324.db2.gz PBRLWNMMGXHHMD-IVKXYKBJSA-N 1 0 333.472 3.068 40 0 EGABRO O[C@@H](COCc1ccccc1Cl)C[N@@H+]1CCc2ccccc2C1 ZINC000068048090 215273031 /nfs/dbraw/zinc/27/30/31/215273031.db2.gz UCRQLAFRTBZXLN-GOSISDBHSA-N 1 0 331.843 3.276 40 0 EGABRO Cc1ccc(Cl)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000041095441 213416155 /nfs/dbraw/zinc/41/61/55/213416155.db2.gz ZKTILXQDVRMNSO-UHFFFAOYSA-N 1 0 344.908 3.236 40 0 EGABRO CN1CCN(C[C@H]([NH2+]Cc2ccc(F)c(F)c2)c2ccccc2)CC1 ZINC000069171400 215367712 /nfs/dbraw/zinc/36/77/12/215367712.db2.gz DYYJICILIIQTRR-FQEVSTJZSA-N 1 0 345.437 3.043 40 0 EGABRO Cc1nnc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)s1 ZINC000040103489 213264575 /nfs/dbraw/zinc/26/45/75/213264575.db2.gz DCDSRGKOPOPUNP-UHFFFAOYSA-N 1 0 345.472 3.154 40 0 EGABRO CCOc1ccc([C@@]2(O)[C@H](C)[N+](c3ccccc3)=C3CCCN32)cc1 ZINC000035682892 213046467 /nfs/dbraw/zinc/04/64/67/213046467.db2.gz WPECARLCIGYCFT-KKSFZXQISA-N 1 0 337.443 3.344 40 0 EGABRO NC(=O)CCc1cccc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072360506 216167271 /nfs/dbraw/zinc/16/72/71/216167271.db2.gz SVXLGUCUQAQYPM-FQEVSTJZSA-N 1 0 337.467 3.269 40 0 EGABRO c1cncc(C[NH+]2CCC(c3nccnc3Oc3cccnc3)CC2)c1 ZINC000072383633 216184461 /nfs/dbraw/zinc/18/44/61/216184461.db2.gz RWEFUFBTIYHVGX-UHFFFAOYSA-N 1 0 347.422 3.439 40 0 EGABRO C[C@H]([NH2+]Cc1ccnc(N)c1)c1cccc(OCc2ccccn2)c1 ZINC000193479947 240181995 /nfs/dbraw/zinc/18/19/95/240181995.db2.gz NNGRJRCLODEDJQ-HNNXBMFYSA-N 1 0 334.423 3.489 40 0 EGABRO [NH3+][C@@H]1CC[C@H](C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000195543151 240995512 /nfs/dbraw/zinc/99/55/12/240995512.db2.gz OQPXLGUGIOUNQY-GXTWGEPZSA-N 1 0 326.362 3.324 40 0 EGABRO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000195555022 241003823 /nfs/dbraw/zinc/00/38/23/241003823.db2.gz GSSSNCUYSNMLCH-GDBMZVCRSA-N 1 0 340.389 3.457 40 0 EGABRO O=Cc1cccc(OCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000217795557 241274338 /nfs/dbraw/zinc/27/43/38/241274338.db2.gz UHPMINXEGFBRIU-UHFFFAOYSA-N 1 0 338.451 3.480 40 0 EGABRO Cc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)nc1 ZINC000225744287 242014401 /nfs/dbraw/zinc/01/44/01/242014401.db2.gz IIVRRYFPGBSROI-UHFFFAOYSA-N 1 0 340.496 3.125 40 0 EGABRO COc1ccc(CN2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1OC ZINC000020569884 212147883 /nfs/dbraw/zinc/14/78/83/212147883.db2.gz KMTUFDDENXAJPK-SJLPKXTDSA-N 1 0 332.488 3.400 40 0 EGABRO c1csc(C[N@@H+]2CC[C@H]3OCCN(c4cccnc4)[C@@H]3CC2)c1 ZINC000247856768 243466467 /nfs/dbraw/zinc/46/64/67/243466467.db2.gz XUCSKECROGLCQN-QZTJIDSGSA-N 1 0 329.469 3.013 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(CNC(C)=O)n2)cc1 ZINC000257210736 244149258 /nfs/dbraw/zinc/14/92/58/244149258.db2.gz BVXUKQRVLZZSNM-FQEVSTJZSA-N 1 0 339.439 3.063 40 0 EGABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)N2CCc3ccccc3C2)c1 ZINC000257226526 244201630 /nfs/dbraw/zinc/20/16/30/244201630.db2.gz FKZSGMPKQUECHW-UHFFFAOYSA-N 1 0 343.430 3.406 40 0 EGABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000020040180 212096520 /nfs/dbraw/zinc/09/65/20/212096520.db2.gz VJFKINIESQJDPZ-SFHVURJKSA-N 1 0 336.451 3.365 40 0 EGABRO CNc1cc([C@@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)ccn1 ZINC000257271719 244378588 /nfs/dbraw/zinc/37/85/88/244378588.db2.gz MZMINOBYWSEOOP-SFHVURJKSA-N 1 0 338.455 3.162 40 0 EGABRO CN(C)c1nc([C@]2(C)CCC[N@H+](Cc3cccnc3)C2)cn2cccc12 ZINC000257273719 244386741 /nfs/dbraw/zinc/38/67/41/244386741.db2.gz NHWMPKMUEJOLAB-OAQYLSRUSA-N 1 0 349.482 3.349 40 0 EGABRO c1cc2nccc(C3CC[NH+](CC4=Cc5ccccc5OC4)CC3)n2n1 ZINC000257276194 244394591 /nfs/dbraw/zinc/39/45/91/244394591.db2.gz NSSQUZNASIBEQV-UHFFFAOYSA-N 1 0 346.434 3.385 40 0 EGABRO Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)N(C[C@H](C)[NH3+])C2=O ZINC000019923447 212084763 /nfs/dbraw/zinc/08/47/63/212084763.db2.gz DUUHEMHBESXJJS-IFXJQAMLSA-N 1 0 346.434 3.073 40 0 EGABRO Clc1ccc(C2(C[NH+]3CCN(C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000019332781 212016923 /nfs/dbraw/zinc/01/69/23/212016923.db2.gz QAUAUMFDHINSIC-SFHVURJKSA-N 1 0 334.891 3.168 40 0 EGABRO Cc1cnc2c(C(=O)Nc3ccccc3C[NH+]3CCCCC3)cnn2c1 ZINC000019239343 212009018 /nfs/dbraw/zinc/00/90/18/212009018.db2.gz IUERXFSOCVWFNT-UHFFFAOYSA-N 1 0 349.438 3.276 40 0 EGABRO CCOCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000078611593 217086482 /nfs/dbraw/zinc/08/64/82/217086482.db2.gz FKQMWRRZCCSKJK-MRXNPFEDSA-N 1 0 331.460 3.362 40 0 EGABRO COc1ccccc1/C=C/C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000078979815 217164142 /nfs/dbraw/zinc/16/41/42/217164142.db2.gz BHCZDFTVZOMPKO-GQCTYLIASA-N 1 0 340.423 3.196 40 0 EGABRO C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(CC(N)=O)CC1 ZINC000079027724 217176581 /nfs/dbraw/zinc/17/65/81/217176581.db2.gz UWAMQWGWZFVHRB-NSHDSACASA-N 1 0 325.250 3.098 40 0 EGABRO COCc1c(Cl)cccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000110702528 220058181 /nfs/dbraw/zinc/05/81/81/220058181.db2.gz BZQVIIYBNCHSHD-STQMWFEESA-N 1 0 337.851 3.187 40 0 EGABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)[nH]c2ccc(C)cc21 ZINC000012362735 211355295 /nfs/dbraw/zinc/35/52/95/211355295.db2.gz KKZLQGJVMRLIPY-MRXNPFEDSA-N 1 0 327.472 3.318 40 0 EGABRO Cc1cccc(C2(O)CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC2)c1 ZINC000012327743 211348899 /nfs/dbraw/zinc/34/88/99/211348899.db2.gz CWPBECFLAYLBAZ-IBGZPJMESA-N 1 0 347.405 3.290 40 0 EGABRO CCOC(=O)C1(Cc2cc(-c3ccc(C)cc3)no2)CC[NH2+]CC1 ZINC000012275242 211333096 /nfs/dbraw/zinc/33/30/96/211333096.db2.gz WHLNBQSTVUYRHF-UHFFFAOYSA-N 1 0 328.412 3.125 40 0 EGABRO Cn1cccc1[C@H](CNC(=O)c1cccs1)[NH+]1CCCCCC1 ZINC000011846289 211255230 /nfs/dbraw/zinc/25/52/30/211255230.db2.gz TVAABFMEJGRZLH-INIZCTEOSA-N 1 0 331.485 3.434 40 0 EGABRO COC[C@H]1CCC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093338015 218215616 /nfs/dbraw/zinc/21/56/16/218215616.db2.gz NTOUQEWGMRFKNF-INIZCTEOSA-N 1 0 331.435 3.487 40 0 EGABRO C[C@H]([NH2+]CCCNc1ccc(C(F)(F)F)cn1)c1cnccn1 ZINC000095420141 218361055 /nfs/dbraw/zinc/36/10/55/218361055.db2.gz OJLALHBDHATLEX-NSHDSACASA-N 1 0 325.338 3.043 40 0 EGABRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cccc(-n2ccnc2)c1 ZINC000096478793 218855020 /nfs/dbraw/zinc/85/50/20/218855020.db2.gz YYWNTCGKVWMCKR-HIFRSBDPSA-N 1 0 338.377 3.160 40 0 EGABRO COC(=O)N1CCC([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000097373251 219017592 /nfs/dbraw/zinc/01/75/92/219017592.db2.gz CMMKNQYWOMNWQX-GOSISDBHSA-N 1 0 343.402 3.131 40 0 EGABRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC2CC(c3ccccc3)C2)C1 ZINC000119599246 221356498 /nfs/dbraw/zinc/35/64/98/221356498.db2.gz NIERGDQCLPJZJW-IPJUCJBFSA-N 1 0 329.488 3.210 40 0 EGABRO c1cc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)co1 ZINC000306138324 257923320 /nfs/dbraw/zinc/92/33/20/257923320.db2.gz RUWBVOBHKUCRTA-GOSISDBHSA-N 1 0 345.406 3.374 40 0 EGABRO COc1ccccc1C[N@@H+]1CC[C@H]2COC(=O)N2c2ccccc2C1 ZINC000225483197 278049319 /nfs/dbraw/zinc/04/93/19/278049319.db2.gz WHCPXJHYPIOMOC-KRWDZBQOSA-N 1 0 338.407 3.426 40 0 biogenic,in-vitro EGABRO C[C@H](c1ccccc1)[NH+]1CCC(N2C(=O)N3CCC[C@@]3(C)C2=O)CC1 ZINC000253630256 279607207 /nfs/dbraw/zinc/60/72/07/279607207.db2.gz QPJUITBSPGLSNS-QRWLVFNGSA-N 1 0 341.455 3.029 40 0 EGABRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2C1 ZINC000333285460 308855645 /nfs/dbraw/zinc/85/56/45/308855645.db2.gz IHPVSMSGNGLXSN-RHSMWYFYSA-N 1 0 342.468 3.328 40 0 EGABRO CC(C)(C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)N1CCOCC1 ZINC000097373259 323215426 /nfs/dbraw/zinc/21/54/26/323215426.db2.gz ORGVDNNJWYFXQO-LJQANCHMSA-N 1 0 343.446 3.011 40 0 EGABRO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Br)cc1F ZINC000127752410 323218764 /nfs/dbraw/zinc/21/87/64/323218764.db2.gz JNKJSUISNNGKRS-XHDPSFHLSA-N 1 0 346.240 3.028 40 0 EGABRO CC(C)[C@@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(F)cc1F ZINC000130350797 323219573 /nfs/dbraw/zinc/21/95/73/323219573.db2.gz DINCZISZMLOAAK-SUMWQHHRSA-N 1 0 339.430 3.255 40 0 EGABRO [NH3+][C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242425518 455271256 /nfs/dbraw/zinc/27/12/56/455271256.db2.gz BMUIPYHQWSFTLI-RBSFLKMASA-N 1 0 342.247 3.260 40 0 EGABRO CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COC1CCCCC1 ZINC000000110102 452510564 /nfs/dbraw/zinc/51/05/64/452510564.db2.gz BCGJKFGIKCFUBR-INIZCTEOSA-N 1 0 331.480 3.129 40 0 EGABRO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1c(C)cccc1C ZINC000000307228 452559043 /nfs/dbraw/zinc/55/90/43/452559043.db2.gz SNKAXSROYUIKNW-KRWDZBQOSA-N 1 0 339.459 3.085 40 0 EGABRO COc1ccc(-c2cc3cc(OC)c(OC)cc3c[n+]2C)cc1OC ZINC000001565997 452668376 /nfs/dbraw/zinc/66/83/76/452668376.db2.gz BWFSRBYCOMXKEI-UHFFFAOYSA-N 1 0 340.399 3.366 40 0 EGABRO CCC[NH+](CCC)C[C@H](O)CNc1cc(OC)cc2cccnc21 ZINC000001644103 452673010 /nfs/dbraw/zinc/67/30/10/452673010.db2.gz AXZNOSPAISASMF-MRXNPFEDSA-N 1 0 331.460 3.138 40 0 EGABRO Cc1c([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cnn1-c1cccc(Cl)c1 ZINC000183584778 455308345 /nfs/dbraw/zinc/30/83/45/455308345.db2.gz DJRQCZMFMOOREW-IVMMDQJWSA-N 1 0 331.847 3.422 40 0 EGABRO CC[C@@H](OC[C@@H](O)C[N@H+](CCO)Cc1ccccc1)c1ccccc1 ZINC000006449991 452945182 /nfs/dbraw/zinc/94/51/82/452945182.db2.gz ITVGMNRFDVQDOW-LEWJYISDSA-N 1 0 343.467 3.010 40 0 EGABRO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000025302292 453764902 /nfs/dbraw/zinc/76/49/02/453764902.db2.gz JFSGYWHPLLUQSZ-IFXJQAMLSA-N 1 0 345.414 3.461 40 0 EGABRO CNc1snc(C)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000027602736 453819456 /nfs/dbraw/zinc/81/94/56/453819456.db2.gz XBHBLWMVXXAQKJ-OAHLLOKOSA-N 1 0 344.484 3.060 40 0 EGABRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000031956750 453859325 /nfs/dbraw/zinc/85/93/25/453859325.db2.gz VJLQJBSORXYPPS-UHFFFAOYSA-N 1 0 349.478 3.035 40 0 EGABRO COc1ccc(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032462028 453874236 /nfs/dbraw/zinc/87/42/36/453874236.db2.gz FGVNEMPMMRLWOQ-UHFFFAOYSA-N 1 0 338.451 3.150 40 0 EGABRO Cc1cccnc1[C@@H]([NH2+]Cc1cc(=O)n2cccc(C)c2n1)C(C)C ZINC000084247950 453979917 /nfs/dbraw/zinc/97/99/17/453979917.db2.gz HXKOUEVINUDXMU-SFHVURJKSA-N 1 0 336.439 3.193 40 0 EGABRO Cc1nn(CCO)c(C)c1C[NH2+]CC(C)(C)c1ccccc1Cl ZINC000076401490 453997907 /nfs/dbraw/zinc/99/79/07/453997907.db2.gz AMTAPLBMONMPFP-UHFFFAOYSA-N 1 0 335.879 3.213 40 0 EGABRO CC[NH+](CC)[C@H](CNC(=O)Nc1nnc(C2CC2)s1)CC(C)C ZINC000043359745 454058912 /nfs/dbraw/zinc/05/89/12/454058912.db2.gz HXRIBXCKPXYWRO-ZDUSSCGKSA-N 1 0 339.509 3.294 40 0 EGABRO CC[NH+](CC)[C@@H](CNC(=O)Nc1nnc(C2CC2)s1)CC(C)C ZINC000043359746 454059230 /nfs/dbraw/zinc/05/92/30/454059230.db2.gz HXRIBXCKPXYWRO-CYBMUJFWSA-N 1 0 339.509 3.294 40 0 EGABRO C=Cn1ncc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2Cc2ccccc2)c1C ZINC000043568698 454068143 /nfs/dbraw/zinc/06/81/43/454068143.db2.gz LKZRMHKLPWTMBV-LEWJYISDSA-N 1 0 336.483 3.183 40 0 EGABRO O=C(NCc1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044932056 454127152 /nfs/dbraw/zinc/12/71/52/454127152.db2.gz HHFOHZCJDBXJLQ-KRWDZBQOSA-N 1 0 344.405 3.493 40 0 EGABRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)s1 ZINC000070928446 454186183 /nfs/dbraw/zinc/18/61/83/454186183.db2.gz PUKNOEJRKMHJAA-UHFFFAOYSA-N 1 0 335.860 3.443 40 0 EGABRO COc1ccc(OC)c(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000045959118 454201594 /nfs/dbraw/zinc/20/15/94/454201594.db2.gz OMVFRRMEUIIWAT-KGLIPLIRSA-N 1 0 335.448 3.088 40 0 EGABRO [NH3+][C@H](Cc1ccccc1)c1nc(-c2ccc(Br)o2)n[nH]1 ZINC000095534921 454230312 /nfs/dbraw/zinc/23/03/12/454230312.db2.gz YSTOKKHTJCYJGB-SNVBAGLBSA-N 1 0 333.189 3.070 40 0 EGABRO O=C(c1cccnc1)N1CCC[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096047033 454270351 /nfs/dbraw/zinc/27/03/51/454270351.db2.gz ZAAUWFXJWPUFIQ-LJQANCHMSA-N 1 0 341.480 3.271 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)o1 ZINC000096050622 454272480 /nfs/dbraw/zinc/27/24/80/454272480.db2.gz TXXGINYKGIRKGZ-HXUWFJFHSA-N 1 0 342.414 3.352 40 0 EGABRO Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4ccsc4)CC[N@@H+]3C2)c1 ZINC000096055142 454274027 /nfs/dbraw/zinc/27/40/27/454274027.db2.gz AYIWWODBHTWUJB-FUHWJXTLSA-N 1 0 332.444 3.225 40 0 EGABRO Cc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)o1 ZINC000096055148 454275294 /nfs/dbraw/zinc/27/52/94/454275294.db2.gz JJGSEOORIJZVGU-VQIMIIECSA-N 1 0 330.403 3.065 40 0 EGABRO COC[C@@H]1C[N@H+](CC2CCOCC2)Cc2cn(CC3CCCC3)nc21 ZINC000096059998 454276977 /nfs/dbraw/zinc/27/69/77/454276977.db2.gz OTIFKQXQXCEPTF-IBGZPJMESA-N 1 0 347.503 3.046 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)s1 ZINC000096061401 454277162 /nfs/dbraw/zinc/27/71/62/454277162.db2.gz IJLMGTLRFTXBBK-KRWDZBQOSA-N 1 0 341.480 3.090 40 0 EGABRO c1sc([C@@H]2C[C@@H]3CC[N@@H+](C4CCOCC4)C[C@H]3O2)nc1C1CC1 ZINC000096070696 454278178 /nfs/dbraw/zinc/27/81/78/454278178.db2.gz PAILLNUVCSKOJP-RRQGHBQHSA-N 1 0 334.485 3.351 40 0 EGABRO O=C(c1ccsc1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccncc2)C1 ZINC000096071495 454278310 /nfs/dbraw/zinc/27/83/10/454278310.db2.gz OCMWWQYJIYAJMA-IBGZPJMESA-N 1 0 341.480 3.414 40 0 EGABRO C(OC[C@H]1C[N@H+](CC2CCCC2)Cc2nnn(CC3CC3)c21)C1CC1 ZINC000096068864 454278736 /nfs/dbraw/zinc/27/87/36/454278736.db2.gz HLTOJDMNMXDCKU-GOSISDBHSA-N 1 0 344.503 3.204 40 0 EGABRO O=C(Nc1ccccc1)N1C[C@H]2[C@H](C[N@@H+]2CCCc2ccccc2)C1 ZINC000096080590 454280121 /nfs/dbraw/zinc/28/01/21/454280121.db2.gz ODAWGHBAUACBMA-QUCCMNQESA-N 1 0 335.451 3.467 40 0 EGABRO Cc1csc(C[NH+]2CCC3(CO[C@H](COCC4CC4)C3)CC2)n1 ZINC000096106021 454283574 /nfs/dbraw/zinc/28/35/74/454283574.db2.gz JSWJREFZAVJZMH-INIZCTEOSA-N 1 0 336.501 3.249 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)o1 ZINC000096107031 454284705 /nfs/dbraw/zinc/28/47/05/454284705.db2.gz VIFVOMJRTQQNCR-MRXNPFEDSA-N 1 0 346.402 3.325 40 0 EGABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000096106574 454284835 /nfs/dbraw/zinc/28/48/35/454284835.db2.gz WSOFABHWAMFTJD-GOSISDBHSA-N 1 0 326.440 3.395 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](OCc4csc(C)n4)CO3)C2)o1 ZINC000096107785 454286139 /nfs/dbraw/zinc/28/61/39/454286139.db2.gz XTAWDSZIGVRJIV-MSOLQXFVSA-N 1 0 348.468 3.303 40 0 EGABRO Cc1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC000096159276 454295573 /nfs/dbraw/zinc/29/55/73/454295573.db2.gz XZNDUXVYMRWLNF-UHFFFAOYSA-N 1 0 337.471 3.061 40 0 EGABRO O=C(NCc1cncc2c1CC[N@H+](Cc1ccccc1)C2)c1ccco1 ZINC000096189504 454299084 /nfs/dbraw/zinc/29/90/84/454299084.db2.gz KZSXIXNXWIACES-UHFFFAOYSA-N 1 0 347.418 3.163 40 0 EGABRO c1coc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC000096186789 454299155 /nfs/dbraw/zinc/29/91/55/454299155.db2.gz WXVRLDPTPPUGOE-QYZOEREBSA-N 1 0 328.412 3.013 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)cs1 ZINC000096186160 454300376 /nfs/dbraw/zinc/30/03/76/454300376.db2.gz SFIUSEKCAGOJSH-FHWLQOOXSA-N 1 0 344.480 3.482 40 0 EGABRO COCCO[C@H]1CC[N@H+](Cc2cc(C)c(C)o2)[C@H]1Cc1ccncc1 ZINC000096200765 454303071 /nfs/dbraw/zinc/30/30/71/454303071.db2.gz MBZLPTIIAZRAKV-PMACEKPBSA-N 1 0 344.455 3.140 40 0 EGABRO O=C1CCCN1[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3)C2)C1 ZINC000096207871 454304609 /nfs/dbraw/zinc/30/46/09/454304609.db2.gz YMCAZBNQCWLKLZ-PKOBYXMFSA-N 1 0 348.874 3.086 40 0 EGABRO CCc1cnc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(C)o2)C3)nc1 ZINC000096215889 454304831 /nfs/dbraw/zinc/30/48/31/454304831.db2.gz WZQOULXVFAQJCH-FQEVSTJZSA-N 1 0 340.471 3.433 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccc[nH]4)C3)C2)o1 ZINC000096215914 454305380 /nfs/dbraw/zinc/30/53/80/454305380.db2.gz RZWCNMIZXCBSFW-IBGZPJMESA-N 1 0 327.428 3.044 40 0 EGABRO Cc1cccc(C[N@@H+]2CC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)c1 ZINC000096218301 454307512 /nfs/dbraw/zinc/30/75/12/454307512.db2.gz BNOAPJQFMYWJRB-RTWAWAEBSA-N 1 0 338.451 3.340 40 0 EGABRO Cn1ccc(CN2CCCC23CC[NH+](Cc2cccc(F)c2)CC3)n1 ZINC000096227944 454308813 /nfs/dbraw/zinc/30/88/13/454308813.db2.gz GRBANQWGMMZDNA-UHFFFAOYSA-N 1 0 342.462 3.190 40 0 EGABRO Fc1cccnc1N[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccco1)C2 ZINC000096222989 454308885 /nfs/dbraw/zinc/30/88/85/454308885.db2.gz OZDGSDVDQYQUEW-RDTXWAMCSA-N 1 0 331.391 3.049 40 0 EGABRO Cc1cnc(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)nc1 ZINC000096260735 454314559 /nfs/dbraw/zinc/31/45/59/454314559.db2.gz LRRQNANMMNAKHD-UHFFFAOYSA-N 1 0 331.379 3.297 40 0 EGABRO C[NH+](C)CCOc1ccc(NC(=O)CC[C@@H]2CCCO2)cc1Cl ZINC000096408504 454326193 /nfs/dbraw/zinc/32/61/93/454326193.db2.gz BBHYBRQAWIWUKN-AWEZNQCLSA-N 1 0 340.851 3.178 40 0 EGABRO O=C(C[C@@H]1CCOc2ccccc21)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000096426734 454339233 /nfs/dbraw/zinc/33/92/33/454339233.db2.gz CVCFXRNCGMEHTO-ROUUACIJSA-N 1 0 342.483 3.277 40 0 EGABRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3nc(OC)ccc3c2)C1 ZINC000096453143 454356086 /nfs/dbraw/zinc/35/60/86/454356086.db2.gz LFHWMFYPEWTJHL-CQSZACIVSA-N 1 0 342.443 3.049 40 0 EGABRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2C)C2CC2)C1 ZINC000096453065 454356124 /nfs/dbraw/zinc/35/61/24/454356124.db2.gz DKPQSDKITIUUOI-QFBILLFUSA-N 1 0 329.488 3.429 40 0 EGABRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(F)cc(N3CCCC3)c2)C1 ZINC000096453141 454356335 /nfs/dbraw/zinc/35/63/35/454356335.db2.gz BFMVCHIUJBTTDB-OAHLLOKOSA-N 1 0 348.466 3.231 40 0 EGABRO O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000096452266 454356843 /nfs/dbraw/zinc/35/68/43/454356843.db2.gz IQRAFRSULFERFJ-OAHLLOKOSA-N 1 0 347.434 3.459 40 0 EGABRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](C)c2ccsc2)c1 ZINC000096478866 454363517 /nfs/dbraw/zinc/36/35/17/454363517.db2.gz PZEDTZWYPKFARX-STQMWFEESA-N 1 0 338.498 3.111 40 0 EGABRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1 ZINC000096479251 454363661 /nfs/dbraw/zinc/36/36/61/454363661.db2.gz ALAGLLHCBOENEU-DYVFJYSZSA-N 1 0 342.418 3.109 40 0 EGABRO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](CCc2ccncc2)C1 ZINC000096483688 454366250 /nfs/dbraw/zinc/36/62/50/454366250.db2.gz AESKDEZQMFYFSU-SJORKVTESA-N 1 0 336.357 3.451 40 0 EGABRO Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1-c1ncco1 ZINC000096499970 454371709 /nfs/dbraw/zinc/37/17/09/454371709.db2.gz GZBLVEITZRGLMC-KRWDZBQOSA-N 1 0 342.443 3.454 40 0 EGABRO O=C(NCC[C@H]1CCCCO1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000096500356 454371855 /nfs/dbraw/zinc/37/18/55/454371855.db2.gz JGYVZQGXIWLMQT-DAWZGUTISA-N 1 0 337.508 3.042 40 0 EGABRO O[C@@H](C[C@@H]1CCCCC[N@@H+]1CCC1OCCO1)c1cccs1 ZINC000097094914 454405412 /nfs/dbraw/zinc/40/54/12/454405412.db2.gz RSJQWERZEXESLK-GJZGRUSLSA-N 1 0 325.474 3.179 40 0 EGABRO Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)nc12 ZINC000097228479 454427445 /nfs/dbraw/zinc/42/74/45/454427445.db2.gz CDRGUKVXCWQGQR-MYYSRTQBSA-N 1 0 341.480 3.273 40 0 EGABRO C[C@H]([NH2+]Cc1ccccc1OCC1CC1)c1cccc(-n2cnnn2)c1 ZINC000097228458 454427725 /nfs/dbraw/zinc/42/77/25/454427725.db2.gz ATDGQHULFSDCMA-HNNXBMFYSA-N 1 0 349.438 3.302 40 0 EGABRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000133534793 454436811 /nfs/dbraw/zinc/43/68/11/454436811.db2.gz MUGIYKFHIKGPRI-YBPHZDCCSA-N 1 0 338.879 3.453 40 0 EGABRO COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)cc1 ZINC000104998128 454614750 /nfs/dbraw/zinc/61/47/50/454614750.db2.gz KWMSGFRHEQFOPC-UHFFFAOYSA-N 1 0 336.435 3.205 40 0 EGABRO OCc1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)o1 ZINC000093104114 454683689 /nfs/dbraw/zinc/68/36/89/454683689.db2.gz HLYBFYIXYWDNQC-UHFFFAOYSA-N 1 0 339.395 3.202 40 0 EGABRO Cc1ncsc1C[NH+]1CCC2(CC(Nc3ncccn3)C2)CC1 ZINC000108528962 454801279 /nfs/dbraw/zinc/80/12/79/454801279.db2.gz PVMLFNBIRCAKSC-UHFFFAOYSA-N 1 0 329.473 3.098 40 0 EGABRO O=C([C@@H]1CCC[C@]12CC[N@@H+](Cc1cncc(Cl)c1)C2)N1CCCC1 ZINC000108531514 454801774 /nfs/dbraw/zinc/80/17/74/454801774.db2.gz AQSZHHXBEIPVSO-PKOBYXMFSA-N 1 0 347.890 3.350 40 0 EGABRO Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000173931343 455342941 /nfs/dbraw/zinc/34/29/41/455342941.db2.gz MAUVWGYVLPEGBH-KRWDZBQOSA-N 1 0 341.459 3.122 40 0 EGABRO Cc1n[nH]cc1C[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245660650 455350345 /nfs/dbraw/zinc/35/03/45/455350345.db2.gz FVAPJLLPGVGGRR-GUYCJALGSA-N 1 0 336.842 3.293 40 0 EGABRO O[C@]1(c2cccnc2)CCC[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC000247849430 455648873 /nfs/dbraw/zinc/64/88/73/455648873.db2.gz GCEVUISTTAMAGY-VPWXQRGCSA-N 1 0 344.405 3.480 40 0 EGABRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)on1 ZINC000192759971 455688200 /nfs/dbraw/zinc/68/82/00/455688200.db2.gz DKAOFWMTQNYOIH-ZOBUZTSGSA-N 1 0 343.427 3.068 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000248391314 455711827 /nfs/dbraw/zinc/71/18/27/455711827.db2.gz UTNSQQUATZXUSP-JJXSEGSLSA-N 1 0 338.492 3.179 40 0 EGABRO CC[C@@H]1CCC[N@H+](CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)C1 ZINC000252581989 455822719 /nfs/dbraw/zinc/82/27/19/455822719.db2.gz VYIUCDWHFXKMMK-SPYBWZPUSA-N 1 0 335.492 3.203 40 0 EGABRO Cc1c[nH]c(-c2cc(C)nc(C3CC[NH+](Cc4ccccn4)CC3)n2)n1 ZINC000257296420 455885016 /nfs/dbraw/zinc/88/50/16/455885016.db2.gz RCUFRLHPEJAIKO-UHFFFAOYSA-N 1 0 348.454 3.258 40 0 EGABRO COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C[NH+](C)C)n2)cc1 ZINC000257304559 455886064 /nfs/dbraw/zinc/88/60/64/455886064.db2.gz SMESGFGQBOBBCE-LJQANCHMSA-N 1 0 339.439 3.129 40 0 EGABRO Cc1cnc([C@H]2CCC[N@H+](Cc3cnn4c3nc(C)cc4C)C2)s1 ZINC000257307967 455887308 /nfs/dbraw/zinc/88/73/08/455887308.db2.gz TUXDRKZEEIFXPM-HNNXBMFYSA-N 1 0 341.484 3.491 40 0 EGABRO Cc1ccccc1CC(=O)N1CCC[C@@H]1c1ccnc(C[NH+](C)C)c1 ZINC000257336557 455894673 /nfs/dbraw/zinc/89/46/73/455894673.db2.gz YOYQZBMOFOHTEO-HXUWFJFHSA-N 1 0 337.467 3.358 40 0 EGABRO CCO[C@H]1C[C@H]([NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)C12CCC2 ZINC000194999126 455910509 /nfs/dbraw/zinc/91/05/09/455910509.db2.gz VLRCQTVAWCBNTM-QAETUUGQSA-N 1 0 333.476 3.060 40 0 EGABRO Cc1c2cccc(C)c2oc1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000195542776 455982856 /nfs/dbraw/zinc/98/28/56/455982856.db2.gz VCSCUBZAKKIEKF-UHFFFAOYSA-N 1 0 337.423 3.354 40 0 EGABRO Cc1ccc(C)c(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000225212655 456075403 /nfs/dbraw/zinc/07/54/03/456075403.db2.gz FTAWPEUKMXTYSL-UHFFFAOYSA-N 1 0 347.528 3.233 40 0 EGABRO C[NH+](C)CCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000225403595 456079355 /nfs/dbraw/zinc/07/93/55/456079355.db2.gz PFZKZTFNLFLJNQ-UHFFFAOYSA-N 1 0 325.787 3.207 40 0 EGABRO [NH3+][C@H](C(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1ccccc1 ZINC000225484631 456087191 /nfs/dbraw/zinc/08/71/91/456087191.db2.gz MPOPQSJOIACPLU-SFHVURJKSA-N 1 0 346.377 3.035 40 0 EGABRO [NH3+][C@@H](C(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1ccccc1 ZINC000225484598 456087261 /nfs/dbraw/zinc/08/72/61/456087261.db2.gz MPOPQSJOIACPLU-GOSISDBHSA-N 1 0 346.377 3.035 40 0 EGABRO CC1CC[NH+](CCCNC(=O)COc2cccc3c2CCCC3)CC1 ZINC000225674511 456102908 /nfs/dbraw/zinc/10/29/08/456102908.db2.gz FJAAFIYTKLLMON-UHFFFAOYSA-N 1 0 344.499 3.182 40 0 EGABRO c1coc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c1 ZINC000306139426 456567543 /nfs/dbraw/zinc/56/75/43/456567543.db2.gz SWXQOCMNNZWVDR-GOSISDBHSA-N 1 0 341.436 3.380 40 0 EGABRO c1nc2n(c1-c1ccccc1)C[C@@H]1C[N@@H+](Cc3ccncc3)C[C@@H]1C2 ZINC000306138268 456567975 /nfs/dbraw/zinc/56/79/75/456567975.db2.gz RTVCZACNJSGRPG-OALUTQOASA-N 1 0 330.435 3.249 40 0 EGABRO COc1ccc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cn1 ZINC000342115819 457116633 /nfs/dbraw/zinc/11/66/33/457116633.db2.gz BBJRMVZGHWWXBC-UHFFFAOYSA-N 1 0 333.382 3.081 40 0 EGABRO c1csc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)c1 ZINC000585104463 459824363 /nfs/dbraw/zinc/82/43/63/459824363.db2.gz IVUMHCQLDQOUCR-HNNXBMFYSA-N 1 0 332.494 3.420 40 0 EGABRO C[C@H]1C[C@@H]([N@H+](C)Cc2cc[nH]c(=O)c2)CCN1Cc1ccccc1 ZINC000585141365 459830032 /nfs/dbraw/zinc/83/00/32/459830032.db2.gz 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ZINC000174428947 529970875 /nfs/dbraw/zinc/97/08/75/529970875.db2.gz SMGAXQXGVGIIJL-MRXNPFEDSA-N 1 0 343.858 3.329 40 0 EGABRO CCOc1ccc([C@]2(O)[C@@H](C)[N+](c3ccccc3)=C3CCCN32)cc1 ZINC000035682893 213045854 /nfs/dbraw/zinc/04/58/54/213045854.db2.gz WPECARLCIGYCFT-IIBYNOLFSA-N 1 0 337.443 3.344 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-n3ccnc3)C2)cc1 ZINC000072350511 216162459 /nfs/dbraw/zinc/16/24/59/216162459.db2.gz LXRWHWPFZBZOFZ-KRWDZBQOSA-N 1 0 349.438 3.051 40 0 EGABRO O=C(Nc1cnccn1)c1cccc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000072355772 216163859 /nfs/dbraw/zinc/16/38/59/216163859.db2.gz BAYAJWYHUAYCGV-KRWDZBQOSA-N 1 0 337.427 3.203 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)c1 ZINC000072355458 216163978 /nfs/dbraw/zinc/16/39/78/216163978.db2.gz UWECRXQFGCUGNT-GOSISDBHSA-N 1 0 333.439 3.350 40 0 EGABRO Fc1ccc(C[NH+]2CCC(c3cncc(-n4ccnc4)n3)CC2)cc1 ZINC000072355447 216164537 /nfs/dbraw/zinc/16/45/37/216164537.db2.gz VACQJTUAOSXWLN-UHFFFAOYSA-N 1 0 337.402 3.181 40 0 EGABRO c1cncc(Oc2cncc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072383631 216184364 /nfs/dbraw/zinc/18/43/64/216184364.db2.gz KHJXCLYFKJYSGK-KRWDZBQOSA-N 1 0 347.422 3.439 40 0 EGABRO CCn1cncc1C[N@@H+]1C[C@@H]2CCC[C@](O)(c3ccc(F)cc3)[C@@H]2C1 ZINC000072389640 216190169 /nfs/dbraw/zinc/19/01/69/216190169.db2.gz YQYYLUYPHMUQTK-BEVDRBHNSA-N 1 0 343.446 3.162 40 0 EGABRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2c(s1)CCC2 ZINC000195555954 241004567 /nfs/dbraw/zinc/00/45/67/241004567.db2.gz DYPMITOOLSWLGO-RYUDHWBXSA-N 1 0 337.489 3.292 40 0 EGABRO [NH3+][C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218592462 241333339 /nfs/dbraw/zinc/33/33/39/241333339.db2.gz LCTJGKALHGAFFD-KKUMJFAQSA-N 1 0 342.247 3.260 40 0 EGABRO Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C[NH3+])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000218578311 241333482 /nfs/dbraw/zinc/33/34/82/241333482.db2.gz NTOUEURIXZHWAP-ULQDDVLXSA-N 1 0 335.856 3.163 40 0 EGABRO COc1ccc(NC(=S)NCCC[NH+]2CCCC2)c2cccnc12 ZINC000225435491 241859581 /nfs/dbraw/zinc/85/95/81/241859581.db2.gz GEPFVMIHXJDAFL-UHFFFAOYSA-N 1 0 344.484 3.016 40 0 EGABRO Cn1cncc1C[N@@H+]1CCC[C@H](c2ccnc(Nc3ccccn3)c2)C1 ZINC000257206758 244136613 /nfs/dbraw/zinc/13/66/13/244136613.db2.gz BEUQNPJOSHKPIK-KRWDZBQOSA-N 1 0 348.454 3.333 40 0 EGABRO c1nc2ccccc2n1-c1cccc(C[C@H]2COC3(C2)CC[NH2+]CC3)n1 ZINC000257213759 244160313 /nfs/dbraw/zinc/16/03/13/244160313.db2.gz CIZARJJNOMTOQC-MRXNPFEDSA-N 1 0 348.450 3.122 40 0 EGABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000020110885 212102257 /nfs/dbraw/zinc/10/22/57/212102257.db2.gz RVHIIHCPEHVJKA-LJQANCHMSA-N 1 0 332.488 3.453 40 0 EGABRO Cc1nc([C@@H]2CCC[NH2+]C2)nc2c1CCCN2CCc1ccccc1 ZINC000257249980 244265444 /nfs/dbraw/zinc/26/54/44/244265444.db2.gz JKMVRRWJNRWOLH-GOSISDBHSA-N 1 0 336.483 3.247 40 0 EGABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCC[NH+]1CCCCC1 ZINC000020105260 212101421 /nfs/dbraw/zinc/10/14/21/212101421.db2.gz BHUAXIFJCAWPLG-MRXNPFEDSA-N 1 0 338.879 3.490 40 0 EGABRO O=C(c1cc(C2CCCCC2)no1)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257265207 244357743 /nfs/dbraw/zinc/35/77/43/244357743.db2.gz LXSRWEWLSZEIDC-HZPDHXFCSA-N 1 0 331.460 3.327 40 0 EGABRO CC[N@@H+]1CCC[C@H]1CN(Cc1nc2ccccc2[nH]1)Cc1ccccn1 ZINC000019527146 212038050 /nfs/dbraw/zinc/03/80/50/212038050.db2.gz WPFZJUAERDKAKT-SFHVURJKSA-N 1 0 349.482 3.444 40 0 EGABRO CCCC(=O)N1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1 ZINC000019501694 212033222 /nfs/dbraw/zinc/03/32/22/212033222.db2.gz KGJJAEVHHAZJHB-UHFFFAOYSA-N 1 0 330.472 3.451 40 0 EGABRO CC(C)c1ccc(CN2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)cc1 ZINC000019453300 212028466 /nfs/dbraw/zinc/02/84/66/212028466.db2.gz OLZQPASQMAOHBG-GOSISDBHSA-N 1 0 336.483 3.235 40 0 EGABRO COc1ccc(CN2CC[NH+]([C@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1OC ZINC000019368259 212022294 /nfs/dbraw/zinc/02/22/94/212022294.db2.gz QEGUEZZXBCYEKP-NJAFHUGGSA-N 1 0 330.472 3.010 40 0 EGABRO COc1cccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1OC ZINC000019359679 212020759 /nfs/dbraw/zinc/02/07/59/212020759.db2.gz VJLNIMQTDUUJFE-ZIFCJYIRSA-N 1 0 342.483 3.034 40 0 EGABRO c1csc(C[N@@H+]2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)c1 ZINC000019341542 212018223 /nfs/dbraw/zinc/01/82/23/212018223.db2.gz AFIYQXKOGBYPGK-ZBFHGGJFSA-N 1 0 337.452 3.021 40 0 EGABRO Cc1nc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)cc(=O)[nH]1 ZINC000019285259 212010628 /nfs/dbraw/zinc/01/06/28/212010628.db2.gz AGWBORIBHBBASL-LLVKDONJSA-N 1 0 338.238 3.375 40 0 EGABRO COc1cc(C[NH2+][C@@H]2CCN(c3ccccc3)C2)cc(OC)c1OC ZINC000078604214 217085963 /nfs/dbraw/zinc/08/59/63/217085963.db2.gz OBVGDZXQRVVOQW-MRXNPFEDSA-N 1 0 342.439 3.081 40 0 EGABRO CCC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000078657060 217097318 /nfs/dbraw/zinc/09/73/18/217097318.db2.gz KLCOSRSSFAKRHM-OCCSQVGLSA-N 1 0 335.414 3.281 40 0 EGABRO O=c1[nH]c2ccccc2cc1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000079311571 217206897 /nfs/dbraw/zinc/20/68/97/217206897.db2.gz KCTIKPOGLMSODE-OAQYLSRUSA-N 1 0 348.446 3.400 40 0 EGABRO O=C(C[C@@H]1OCCc2ccccc21)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000079361803 217216244 /nfs/dbraw/zinc/21/62/44/217216244.db2.gz OCDXOZLLNJDSLV-ICSRJNTNSA-N 1 0 342.483 3.167 40 0 EGABRO CCc1ccc(OC[C@@H](O)C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000089286363 217782528 /nfs/dbraw/zinc/78/25/28/217782528.db2.gz ZJDDKYDYVWUXCA-SFHVURJKSA-N 1 0 338.451 3.302 40 0 EGABRO CCOc1ccc(C[NH+]2CCC(c3[nH]nc4nccnc43)CC2)cc1 ZINC000012228304 211325601 /nfs/dbraw/zinc/32/56/01/211325601.db2.gz FMXKFKQBDMIXQA-UHFFFAOYSA-N 1 0 337.427 3.131 40 0 EGABRO Cc1ccc([C@]2(O)CCC[C@H]3C[N@H+](Cc4cnc(C)nc4)C[C@@H]32)cc1 ZINC000012186324 211313884 /nfs/dbraw/zinc/31/38/84/211313884.db2.gz LOEHXFLWUKAUCB-SESVDKBCSA-N 1 0 337.467 3.213 40 0 EGABRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)Cc1cnc2ncccn12 ZINC000093318757 218214377 /nfs/dbraw/zinc/21/43/77/218214377.db2.gz KLRXURUBQSOWPT-PXNSSMCTSA-N 1 0 349.482 3.072 40 0 EGABRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnccn1 ZINC000095422510 218364776 /nfs/dbraw/zinc/36/47/76/218364776.db2.gz KNNJMFUADCRUNG-TZMCWYRMSA-N 1 0 336.361 3.425 40 0 EGABRO COc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCC(N)=O ZINC000008470028 210954425 /nfs/dbraw/zinc/95/44/25/210954425.db2.gz ALJLJEKHPWGMEN-UHFFFAOYSA-N 1 0 340.851 3.025 40 0 EGABRO Cc1ccc(CN2C(=O)CCC23CCC([NH2+][C@H]2CCOC2)CC3)cc1 ZINC000096075893 218574768 /nfs/dbraw/zinc/57/47/68/218574768.db2.gz FWZHEZHBRNWMOM-SCCNAQOGSA-N 1 0 342.483 3.177 40 0 EGABRO CC(C)(C)c1ncc(/C=C/C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000096430653 218804050 /nfs/dbraw/zinc/80/40/50/218804050.db2.gz UFXKICQJXXQLDU-YBJDMEARSA-N 1 0 333.501 3.054 40 0 EGABRO COC(=O)N1CCC([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000097373249 219017708 /nfs/dbraw/zinc/01/77/08/219017708.db2.gz CMMKNQYWOMNWQX-SFHVURJKSA-N 1 0 343.402 3.131 40 0 EGABRO Cc1nc(CC[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cs1 ZINC000119075621 221238062 /nfs/dbraw/zinc/23/80/62/221238062.db2.gz SCWJKNXQVQQECI-HNNXBMFYSA-N 1 0 345.516 3.192 40 0 EGABRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 ZINC000183564955 533519339 /nfs/dbraw/zinc/51/93/39/533519339.db2.gz FUYMNNJYXHXJAV-GDBMZVCRSA-N 1 0 326.481 3.181 40 0 EGABRO CC(C)[NH+]1CCC2(C[C@H](NCc3nccn3C)c3ccccc32)CC1 ZINC000096078985 273529917 /nfs/dbraw/zinc/52/99/17/273529917.db2.gz JOYWLXXWVLPMDZ-IBGZPJMESA-N 1 0 338.499 3.397 40 0 EGABRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000096436554 277915588 /nfs/dbraw/zinc/91/55/88/277915588.db2.gz RPXUZUFZRYETKU-AZUAARDMSA-N 1 0 334.504 3.129 40 0 EGABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC000019572861 278678838 /nfs/dbraw/zinc/67/88/38/278678838.db2.gz HGZVADMWPWEXDO-RBUKOAKNSA-N 1 0 346.519 3.318 40 0 EGABRO C[C@@]12C[C@H]3CN(C(=O)c4ccc5ccccc5n4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257305499 279180425 /nfs/dbraw/zinc/18/04/25/279180425.db2.gz SQHUTAINZQETAR-RMYQPGKMSA-N 1 0 335.451 3.370 40 0 EGABRO C[C@H](CC[NH2+][C@H]1CCc2c1cccc2Br)[S@](C)=O ZINC000091398856 279268052 /nfs/dbraw/zinc/26/80/52/279268052.db2.gz LACQNTZIRDSNLO-FWVNDXEPSA-N 1 0 330.291 3.183 40 0 EGABRO Cc1cc(C)c(OCC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(C)c1 ZINC000021835457 280395266 /nfs/dbraw/zinc/39/52/66/280395266.db2.gz HXYJBDNNWOQTGZ-MRXNPFEDSA-N 1 0 346.496 3.471 40 0 EGABRO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Br)cc1F ZINC000127752681 323218745 /nfs/dbraw/zinc/21/87/45/323218745.db2.gz JNKJSUISNNGKRS-IAQYHMDHSA-N 1 0 346.240 3.028 40 0 EGABRO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1O ZINC000000338223 452565801 /nfs/dbraw/zinc/56/58/01/452565801.db2.gz MPYHGNAJOKCMAQ-MRXNPFEDSA-N 1 0 343.423 3.190 40 0 endogenous,in-man EGABRO Cc1nc(=O)c2ccccc2n1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000001004790 452640427 /nfs/dbraw/zinc/64/04/27/452640427.db2.gz QDWGOEYAIBZVHD-UHFFFAOYSA-N 1 0 331.419 3.452 40 0 EGABRO CC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C(C)=O)cc1 ZINC000001475572 452668309 /nfs/dbraw/zinc/66/83/09/452668309.db2.gz KXAMIVMIZWCHGN-LJQANCHMSA-N 1 0 327.424 3.151 40 0 EGABRO CC1(C)[C@@]2(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC[C@]1(C)C(=O)C2 ZINC000004041961 452791359 /nfs/dbraw/zinc/79/13/59/452791359.db2.gz ONQAYZAARFLCHV-UXHICEINSA-N 1 0 334.504 3.197 40 0 EGABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000008337058 453193640 /nfs/dbraw/zinc/19/36/40/453193640.db2.gz RWIFJXVKENNAHD-QGZVFWFLSA-N 1 0 333.403 3.274 40 0 EGABRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccco2)CC1 ZINC000008345709 453195446 /nfs/dbraw/zinc/19/54/46/453195446.db2.gz DAGJQCWVILNUFK-UHFFFAOYSA-N 1 0 333.819 3.327 40 0 EGABRO COc1c(Br)cc(Br)cc1C[NH2+]C1CC1 ZINC000008469436 453204772 /nfs/dbraw/zinc/20/47/72/453204772.db2.gz LLVYUDRCRSLVGB-UHFFFAOYSA-N 1 0 335.039 3.472 40 0 EGABRO COc1cccc(C[NH2+]C[C@@H](C)O)c1OCc1ccc(Cl)cc1 ZINC000008535100 453212671 /nfs/dbraw/zinc/21/26/71/453212671.db2.gz QCXXABIGWFYBLH-CYBMUJFWSA-N 1 0 335.831 3.398 40 0 EGABRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C)no2)CC1 ZINC000012635339 453387423 /nfs/dbraw/zinc/38/74/23/453387423.db2.gz CSCXSLNHRRGPLK-UHFFFAOYSA-N 1 0 348.834 3.031 40 0 EGABRO C/C1=C\CC/C(C)=C/[C@@H](O)[C@@H]2[C@H](C[NH+]3CCCCC3)C(=O)O[C@H]2C1 ZINC000012656692 453387791 /nfs/dbraw/zinc/38/77/91/453387791.db2.gz PBRLWNMMGXHHMD-FWSZQADFSA-N 1 0 333.472 3.068 40 0 EGABRO C[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@H]1COc2ccccc2O1 ZINC000016378830 453605281 /nfs/dbraw/zinc/60/52/81/453605281.db2.gz JMCSRWYWSOGAHZ-SFHVURJKSA-N 1 0 335.407 3.144 40 0 EGABRO CCN(CC)C(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[NH2+]1 ZINC000019696569 453658278 /nfs/dbraw/zinc/65/82/78/453658278.db2.gz BITUNCNKXLQUNU-HXUWFJFHSA-N 1 0 341.455 3.183 40 0 EGABRO COc1cccc2cc(C[N@@H+]3CCCC[C@@H]4[C@H]3CCN4C(C)=O)oc21 ZINC000019712560 453658438 /nfs/dbraw/zinc/65/84/38/453658438.db2.gz UHYFBPKSZLRNLW-QZTJIDSGSA-N 1 0 342.439 3.417 40 0 EGABRO CCc1ccc(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)o1 ZINC000025092540 453757926 /nfs/dbraw/zinc/75/79/26/453757926.db2.gz HENZWJCSTDFGLW-UHFFFAOYSA-N 1 0 327.428 3.236 40 0 EGABRO COc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000029839726 453832022 /nfs/dbraw/zinc/83/20/22/453832022.db2.gz GXMJQYZDTYYEHG-UHFFFAOYSA-N 1 0 342.414 3.013 40 0 EGABRO CC[C@@H](CNC(=O)Cc1ccc(F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032445867 453872917 /nfs/dbraw/zinc/87/29/17/453872917.db2.gz ANUHXJLZDBSALA-FQEVSTJZSA-N 1 0 340.442 3.321 40 0 EGABRO COc1cccc(COC[C@@H](O)C[N@@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000032489807 453875756 /nfs/dbraw/zinc/87/57/56/453875756.db2.gz YYZCKVOFEQSCLK-HOCLYGCPSA-N 1 0 347.480 3.254 40 0 EGABRO C[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)Sc1ccccc1 ZINC000075805087 453927398 /nfs/dbraw/zinc/92/73/98/453927398.db2.gz KCWZMMPVOBUTOF-HNNXBMFYSA-N 1 0 335.517 3.150 40 0 EGABRO C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@@H]1CCOC1 ZINC000083243430 453945662 /nfs/dbraw/zinc/94/56/62/453945662.db2.gz OCUNZHGIMLEGFR-LBPRGKRZSA-N 1 0 330.350 3.002 40 0 EGABRO CCOc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1OCC ZINC000042674537 454019888 /nfs/dbraw/zinc/01/98/88/454019888.db2.gz LLOCEMNZSSOXGK-UHFFFAOYSA-N 1 0 348.487 3.480 40 0 EGABRO COc1cc(C[NH+]2CC(c3nc4cc(C)ccc4[nH]3)C2)cc(OC)c1 ZINC000085467293 454030134 /nfs/dbraw/zinc/03/01/34/454030134.db2.gz JKJADKKQONHXCF-UHFFFAOYSA-N 1 0 337.423 3.488 40 0 EGABRO C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000095435168 454211269 /nfs/dbraw/zinc/21/12/69/454211269.db2.gz SWICOHGJYICKPT-CYBMUJFWSA-N 1 0 339.420 3.325 40 0 EGABRO O=C1c2ccc3c4c(ccc(c42)C(=O)N1CC[NH+]1CCCCC1)CC3 ZINC000059484438 454260776 /nfs/dbraw/zinc/26/07/76/454260776.db2.gz GVXKHURWAWIBQA-UHFFFAOYSA-N 1 0 334.419 3.020 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccnc2)C3)o1 ZINC000096047042 454269949 /nfs/dbraw/zinc/26/99/49/454269949.db2.gz FFRSFKRQZIYUMR-FQEVSTJZSA-N 1 0 339.439 3.111 40 0 EGABRO c1ccc(CO[C@@H]2COC3(C2)CC[NH+](Cc2ccccn2)CC3)cc1 ZINC000096047861 454271508 /nfs/dbraw/zinc/27/15/08/454271508.db2.gz BAVPYNRVSDXKRF-FQEVSTJZSA-N 1 0 338.451 3.422 40 0 EGABRO O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](Cc1ccccn1)C2 ZINC000096048746 454271863 /nfs/dbraw/zinc/27/18/63/454271863.db2.gz YJWNMKOPHNDTMJ-SFHVURJKSA-N 1 0 327.453 3.162 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)o1 ZINC000096050621 454272805 /nfs/dbraw/zinc/27/28/05/454272805.db2.gz TXXGINYKGIRKGZ-FQEVSTJZSA-N 1 0 342.414 3.352 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)o1 ZINC000096051181 454273194 /nfs/dbraw/zinc/27/31/94/454273194.db2.gz UPQDXXWAFIXIIL-QGZVFWFLSA-N 1 0 348.397 3.116 40 0 EGABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)C3CCOCC3)C[C@@H]21 ZINC000096058339 454276582 /nfs/dbraw/zinc/27/65/82/454276582.db2.gz BWMDSTQYPZRGMK-UFYCRDLUSA-N 1 0 342.483 3.050 40 0 EGABRO Cc1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)s1 ZINC000096061378 454276944 /nfs/dbraw/zinc/27/69/44/454276944.db2.gz ZQHNTDOZNFSRPE-QGZVFWFLSA-N 1 0 341.480 3.090 40 0 EGABRO c1coc(C[NH+]2CCC3(CO[C@H](COCc4cccnc4)C3)CC2)c1 ZINC000096106134 454283485 /nfs/dbraw/zinc/28/34/85/454283485.db2.gz VBAISRNXVALNHB-IBGZPJMESA-N 1 0 342.439 3.263 40 0 EGABRO c1coc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)c1 ZINC000096107327 454284713 /nfs/dbraw/zinc/28/47/13/454284713.db2.gz UBGXRRGJJDIDKK-MOPGFXCFSA-N 1 0 328.412 3.015 40 0 EGABRO Cc1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC000096109015 454285713 /nfs/dbraw/zinc/28/57/13/454285713.db2.gz QNGVIPRTSWIHPS-CTNGQTDRSA-N 1 0 338.451 3.055 40 0 EGABRO Cn1ccnc1CN1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096157582 454293902 /nfs/dbraw/zinc/29/39/02/454293902.db2.gz KAVDDWFPFHNSRJ-UHFFFAOYSA-N 1 0 342.462 3.047 40 0 EGABRO Cc1nn2c(nc(C)c(C)c2N2CC[NH+](C)CC2)c1-c1cccs1 ZINC000072341717 454294768 /nfs/dbraw/zinc/29/47/68/454294768.db2.gz MMGLIJWDVGZYPZ-UHFFFAOYSA-N 1 0 341.484 3.135 40 0 EGABRO COc1c(Br)cccc1C[NH2+][C@H](C)C1CCOCC1 ZINC000090230120 454296677 /nfs/dbraw/zinc/29/66/77/454296677.db2.gz YYMXLIAGJWIESU-LLVKDONJSA-N 1 0 328.250 3.362 40 0 EGABRO Fc1ccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)cc1 ZINC000096187629 454299784 /nfs/dbraw/zinc/29/97/84/454299784.db2.gz HWBDOSRUSYXBMQ-UHFFFAOYSA-N 1 0 334.398 3.279 40 0 EGABRO Cc1csc(CN2CCC3(C[C@H](COCC4CC4)[N@H+](C)C3)CC2)n1 ZINC000096207678 454303676 /nfs/dbraw/zinc/30/36/76/454303676.db2.gz LRYMHLPWEKAPLY-QGZVFWFLSA-N 1 0 349.544 3.164 40 0 EGABRO Cc1csc(CN2CCC3(C[C@@H](COCC4CC4)[N@H+](C)C3)CC2)n1 ZINC000096207679 454304486 /nfs/dbraw/zinc/30/44/86/454304486.db2.gz LRYMHLPWEKAPLY-KRWDZBQOSA-N 1 0 349.544 3.164 40 0 EGABRO Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ccc(C)nn2)C3)oc1C ZINC000096217076 454307134 /nfs/dbraw/zinc/30/71/34/454307134.db2.gz RRFROSOVIIUGDV-HXUWFJFHSA-N 1 0 340.471 3.487 40 0 EGABRO Cc1ccsc1C[N@@H+]1C[C@H]2OC[C@H](COc3ccc(C)nc3)[C@H]2C1 ZINC000096219461 454307323 /nfs/dbraw/zinc/30/73/23/454307323.db2.gz LCIYHDSDYJAICD-CGTJXYLNSA-N 1 0 344.480 3.286 40 0 EGABRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)C1 ZINC000096268569 454314972 /nfs/dbraw/zinc/31/49/72/454314972.db2.gz UTYAWJRGYFHCBP-MRXNPFEDSA-N 1 0 326.362 3.263 40 0 EGABRO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](Cc3nccs3)C[C@H]21 ZINC000096263806 454315023 /nfs/dbraw/zinc/31/50/23/454315023.db2.gz CSIBOCUDEUVKRR-CABCVRRESA-N 1 0 336.464 3.315 40 0 EGABRO c1csc(CC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)n1 ZINC000096403974 454322257 /nfs/dbraw/zinc/32/22/57/454322257.db2.gz OARHALVLGNGERR-UHFFFAOYSA-N 1 0 345.449 3.328 40 0 EGABRO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000096414432 454331129 /nfs/dbraw/zinc/33/11/29/454331129.db2.gz XUOJEJSVBJBSSH-DZGCQCFKSA-N 1 0 342.405 3.342 40 0 EGABRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3sc(C)nc3C)C2)c1 ZINC000096449342 454355561 /nfs/dbraw/zinc/35/55/61/454355561.db2.gz HRPQNBSEGPWDTB-AWEZNQCLSA-N 1 0 347.484 3.146 40 0 EGABRO O=C(c1ccccc1Br)N1CC[C@@H](Oc2ccncc2)C1 ZINC000120900835 454362554 /nfs/dbraw/zinc/36/25/54/454362554.db2.gz NSESQUIUPOKGRC-CYBMUJFWSA-N 1 0 347.212 3.138 40 0 EGABRO Cn1cc([C@](C)(O)C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000096483938 454366572 /nfs/dbraw/zinc/36/65/72/454366572.db2.gz CNWJQROVWJVNSV-CQSZACIVSA-N 1 0 347.768 3.090 40 0 EGABRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000096499570 454370539 /nfs/dbraw/zinc/37/05/39/454370539.db2.gz GJFKJVILRZEUME-SWLSCSKDSA-N 1 0 337.464 3.212 40 0 EGABRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000091060651 454374437 /nfs/dbraw/zinc/37/44/37/454374437.db2.gz XKFHEMFATZECPT-IAGOWNOFSA-N 1 0 340.471 3.045 40 0 EGABRO CC(C)OC(=O)N1CCC([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000097103767 454407277 /nfs/dbraw/zinc/40/72/77/454407277.db2.gz IPHFESHKKANYAS-QGZVFWFLSA-N 1 0 342.443 3.098 40 0 EGABRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(C2CC2)on1 ZINC000065938575 454642694 /nfs/dbraw/zinc/64/26/94/454642694.db2.gz FCDANYWNDZAVQW-UHFFFAOYSA-N 1 0 349.381 3.034 40 0 EGABRO Cc1ocnc1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106829543 454721302 /nfs/dbraw/zinc/72/13/02/454721302.db2.gz YRXHKBPULKZXJO-UHFFFAOYSA-N 1 0 347.846 3.278 40 0 EGABRO Cc1c(COC(C)C)cccc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000127080767 454936609 /nfs/dbraw/zinc/93/66/09/454936609.db2.gz REYFLPXISBQRBX-INIZCTEOSA-N 1 0 333.476 3.335 40 0 EGABRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(Cl)c[nH]2)CC1 ZINC000155398246 454996847 /nfs/dbraw/zinc/99/68/47/454996847.db2.gz AAGHPQPDZWEBNI-GFCCVEGCSA-N 1 0 332.835 3.019 40 0 EGABRO C[NH+]1CCC(CCNC(=O)CCCOc2ccc(Cl)cc2)CC1 ZINC000156464821 455121265 /nfs/dbraw/zinc/12/12/65/455121265.db2.gz PQJWVTNMJRNACO-UHFFFAOYSA-N 1 0 338.879 3.347 40 0 EGABRO Cc1cc(N2CCC(CNC(=O)NCc3ccccc3)CC2)cc[nH+]1 ZINC000244955790 455278226 /nfs/dbraw/zinc/27/82/26/455278226.db2.gz FZZSGGVTZOFCRJ-UHFFFAOYSA-N 1 0 338.455 3.106 40 0 EGABRO CCc1[nH+]cc(-c2ccccc2Cl)c2c1C=Nc1[nH]nc(C)c1N2 ZINC000265540587 455340115 /nfs/dbraw/zinc/34/01/15/455340115.db2.gz IBHPPTOHDQCQFI-UHFFFAOYSA-N 1 0 337.814 3.111 40 0 EGABRO C/C(=C\c1ccccc1)C[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000192706030 455673803 /nfs/dbraw/zinc/67/38/03/455673803.db2.gz PYADVVWJNHBIOA-NWNNTGRJSA-N 1 0 333.435 3.478 40 0 EGABRO C[C@@H]1C[N@H+](Cc2ccccn2)C[C@]12CCN(c1ccsc1)C2=O ZINC000249694934 455767842 /nfs/dbraw/zinc/76/78/42/455767842.db2.gz PXRWQMPRCGFUMF-RDTXWAMCSA-N 1 0 327.453 3.018 40 0 EGABRO CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCc2ccccc21 ZINC000252486186 455811005 /nfs/dbraw/zinc/81/10/05/455811005.db2.gz GMYMFWXGMSIVJE-RBUKOAKNSA-N 1 0 335.513 3.396 40 0 EGABRO Fc1ccc(OC[C@@H]2CCCO2)c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000253369797 455834823 /nfs/dbraw/zinc/83/48/23/455834823.db2.gz IFUSBAMEZKLWQD-IKGGRYGDSA-N 1 0 334.435 3.422 40 0 EGABRO CSc1cccc(F)c1C(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000253395344 455838546 /nfs/dbraw/zinc/83/85/46/455838546.db2.gz TUUCLZSXJBYQHM-JSGCOSHPSA-N 1 0 333.432 3.467 40 0 EGABRO Cc1cc(-c2snnc2[C@@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)on1 ZINC000253600204 455854774 /nfs/dbraw/zinc/85/47/74/455854774.db2.gz JKJYHRFGBXHNPF-ZIAGYGMSSA-N 1 0 346.456 3.374 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000253605486 455854919 /nfs/dbraw/zinc/85/49/19/455854919.db2.gz GWIKTCAIDIIMEL-YJBOKZPZSA-N 1 0 340.471 3.491 40 0 EGABRO Clc1cc(Cl)cc(CCN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000194609637 455865058 /nfs/dbraw/zinc/86/50/58/455865058.db2.gz KBRHPMCEPPKLKB-OAHLLOKOSA-N 1 0 343.298 3.190 40 0 EGABRO Cn1cncc1-c1nccnc1[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000257299963 455886247 /nfs/dbraw/zinc/88/62/47/455886247.db2.gz RSIOFDTZXOXSJW-HNNXBMFYSA-N 1 0 325.460 3.389 40 0 EGABRO CO[C@@H]1CCCOC12CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000257306674 455887409 /nfs/dbraw/zinc/88/74/09/455887409.db2.gz SVHUQMGGPSTOEF-GOSISDBHSA-N 1 0 341.455 3.237 40 0 EGABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)c1 ZINC000257309963 455889288 /nfs/dbraw/zinc/88/92/88/455889288.db2.gz UDCINRZJUBHEIA-CYBMUJFWSA-N 1 0 341.459 3.082 40 0 EGABRO CNC(=O)c1sc2nc([C@@H]3CCCC[N@@H+]3CC3CC3)ccc2c1N ZINC000257323944 455891950 /nfs/dbraw/zinc/89/19/50/455891950.db2.gz WMNIPBDDHSRQHD-AWEZNQCLSA-N 1 0 344.484 3.175 40 0 EGABRO Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000195566228 455986035 /nfs/dbraw/zinc/98/60/35/455986035.db2.gz LYZKEFOBWGMYIT-DOTOQJQBSA-N 1 0 333.863 3.328 40 0 EGABRO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCCCC1 ZINC000223213549 456055379 /nfs/dbraw/zinc/05/53/79/456055379.db2.gz KZCULQDRJICIEI-KRWDZBQOSA-N 1 0 344.499 3.325 40 0 EGABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225601926 456097484 /nfs/dbraw/zinc/09/74/84/456097484.db2.gz VSYCJKMONWZSNH-IBGZPJMESA-N 1 0 334.460 3.305 40 0 EGABRO CCc1nnc2sc(C3=CC[N@H+](Cc4ccccc4)CC3)nn12 ZINC000226250526 456107089 /nfs/dbraw/zinc/10/70/89/456107089.db2.gz IBHKWAWSSPGBEV-UHFFFAOYSA-N 1 0 325.441 3.038 40 0 EGABRO COc1ccc([C@@H]2C[C@H](C)N(C(=O)C[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000230458188 456138856 /nfs/dbraw/zinc/13/88/56/456138856.db2.gz DONGDOLUPYITIL-CVAIRZPRSA-N 1 0 338.451 3.490 40 0 EGABRO c1coc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306137404 456566616 /nfs/dbraw/zinc/56/66/16/456566616.db2.gz QVMQMPHQBCNCAV-KRWDZBQOSA-N 1 0 345.406 3.374 40 0 EGABRO Cc1ccsc1C[N@@H+]1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 ZINC000306143421 456569396 /nfs/dbraw/zinc/56/93/96/456569396.db2.gz YCAFLQQADCGACF-ARFHVFGLSA-N 1 0 329.469 3.010 40 0 EGABRO Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCF)CC2)s1 ZINC000585100586 459823332 /nfs/dbraw/zinc/82/33/32/459823332.db2.gz OUFFAQAEDOICGQ-KRWDZBQOSA-N 1 0 339.480 3.077 40 0 EGABRO Cc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000585104638 459824125 /nfs/dbraw/zinc/82/41/25/459824125.db2.gz JZWKOGUYEMXPFR-LJQANCHMSA-N 1 0 347.524 3.498 40 0 EGABRO COCC[N@@H+]1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000585113260 459826409 /nfs/dbraw/zinc/82/64/09/459826409.db2.gz XEUSDWGBIFOAGZ-IBGZPJMESA-N 1 0 348.462 3.179 40 0 EGABRO O[C@@]1(COc2ccc(Cl)cc2)COCC[N@@H+](C2CCCCC2)C1 ZINC000585282253 459832473 /nfs/dbraw/zinc/83/24/73/459832473.db2.gz ZZUHVWKQZIKUEX-GOSISDBHSA-N 1 0 339.863 3.115 40 0 EGABRO O=C(CC1CC1)N[C@H]1COCCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096217230 518198122 /nfs/dbraw/zinc/19/81/22/518198122.db2.gz ICXLVGIEARGCLV-KRWDZBQOSA-N 1 0 348.512 3.036 40 0 EGABRO O=C1[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCCN1c1cccnc1 ZINC000129673243 534844375 /nfs/dbraw/zinc/84/43/75/534844375.db2.gz BFCXCFUYBGZLRK-KCQAQPDRSA-N 1 0 341.377 3.288 40 0 EGABRO CCc1ccc([C@@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218654007 547240143 /nfs/dbraw/zinc/24/01/43/547240143.db2.gz LUHRGBTUYABIJO-KSZLIROESA-N 1 0 349.883 3.417 40 0 EGABRO O=C(NCCOCc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000224094449 547246375 /nfs/dbraw/zinc/24/63/75/547246375.db2.gz XNYGASBZHYYTNX-UHFFFAOYSA-N 1 0 338.451 3.229 40 0 EGABRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccccc1C1CC1 ZINC000584908320 548099161 /nfs/dbraw/zinc/09/91/61/548099161.db2.gz PVOUSNNXZFYMJV-AWEZNQCLSA-N 1 0 344.480 3.404 40 0 EGABRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Cc2noc3ccccc23)C1 ZINC000053304040 214176336 /nfs/dbraw/zinc/17/63/36/214176336.db2.gz WJVMMRNYHLBHFF-GJZGRUSLSA-N 1 0 343.471 3.243 40 0 EGABRO C[NH+]1CCC(NC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000153737572 530050371 /nfs/dbraw/zinc/05/03/71/530050371.db2.gz LCWVIXQRAVPXMB-ZDUSSCGKSA-N 1 0 349.784 3.337 40 0 EGABRO C[NH+](C)[C@@H](CNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1 ZINC000040157494 213275772 /nfs/dbraw/zinc/27/57/72/213275772.db2.gz FKQFCXAQIBIKNT-IBGZPJMESA-N 1 0 337.398 3.407 40 0 EGABRO FC(F)(F)c1ccccc1N1CC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000185204548 235612667 /nfs/dbraw/zinc/61/26/67/235612667.db2.gz JKOLGEYSIXSMTL-AWEZNQCLSA-N 1 0 326.362 3.220 40 0 EGABRO O=C(C[NH2+]Cc1cccs1)Nc1ccc(Br)cc1 ZINC000037466982 213149446 /nfs/dbraw/zinc/14/94/46/213149446.db2.gz UZCSDOLWGCOQGF-UHFFFAOYSA-N 1 0 325.231 3.239 40 0 EGABRO CC(=O)N1CCc2cc([C@H](O)C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)ccc21 ZINC000036719269 213113109 /nfs/dbraw/zinc/11/31/09/213113109.db2.gz VLTGLJGOXUUTIJ-LKUPVBHCSA-N 1 0 342.483 3.284 40 0 EGABRO C[C@H]1C[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)C[C@H](C)O1 ZINC000036507522 213099879 /nfs/dbraw/zinc/09/98/79/213099879.db2.gz ATYCRKJZBGDSRF-MFTZQUKCSA-N 1 0 347.499 3.410 40 0 EGABRO [NH3+][C@H]1C[C@]2(CCC(=O)N(Cc3ccccc3)CC2)Oc2ccccc21 ZINC000072327734 216152974 /nfs/dbraw/zinc/15/29/74/216152974.db2.gz CMEIMTLPZKIBHJ-GHTZIAJQSA-N 1 0 336.435 3.420 40 0 EGABRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1Br ZINC000072324725 216151092 /nfs/dbraw/zinc/15/10/92/216151092.db2.gz FHEYWCHCHCCOSJ-OCCSQVGLSA-N 1 0 339.277 3.126 40 0 EGABRO CC(C)[N@@H+]1CCC[C@@H](Cc2ccc(NCc3cccnc3)nn2)C1 ZINC000072365782 216172200 /nfs/dbraw/zinc/17/22/00/216172200.db2.gz LSYBJOBBACGCKT-INIZCTEOSA-N 1 0 325.460 3.147 40 0 EGABRO Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377887 216179684 /nfs/dbraw/zinc/17/96/84/216179684.db2.gz DMWLZFGOBCPFMI-QGZVFWFLSA-N 1 0 348.410 3.053 40 0 EGABRO Cc1cccc(/C=C/C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000023181481 212358378 /nfs/dbraw/zinc/35/83/78/212358378.db2.gz MPIAFWPMXPGLMK-VEUZHWNKSA-N 1 0 330.472 3.012 40 0 EGABRO COc1cc(C[NH2+]CCN(C)C)ccc1OCc1ccccc1F ZINC000022075286 212276942 /nfs/dbraw/zinc/27/69/42/212276942.db2.gz ZZKWSXOAUQCRPM-UHFFFAOYSA-N 1 0 332.419 3.065 40 0 EGABRO [NH3+][C@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218590407 241333032 /nfs/dbraw/zinc/33/30/32/241333032.db2.gz BMUIPYHQWSFTLI-ILXRZTDVSA-N 1 0 342.247 3.260 40 0 EGABRO CC(C)CC(=O)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2CC1CCOCC1 ZINC000257213820 244159038 /nfs/dbraw/zinc/15/90/38/244159038.db2.gz CJEUCGFRMWZKLP-RTBURBONSA-N 1 0 336.520 3.305 40 0 EGABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000020045717 212098107 /nfs/dbraw/zinc/09/81/07/212098107.db2.gz CZIWROSNLHLDSE-LJQANCHMSA-N 1 0 332.488 3.391 40 0 EGABRO Cc1cc(-c2nccn2C)nc([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000257272201 244378954 /nfs/dbraw/zinc/37/89/54/244378954.db2.gz NBLFLPUGMDNLLK-QGZVFWFLSA-N 1 0 333.439 3.175 40 0 EGABRO Cc1nc([C@@H]2CCC[NH2+]C2)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000257273514 244385123 /nfs/dbraw/zinc/38/51/23/244385123.db2.gz NGWSORPRCUERBK-MRXNPFEDSA-N 1 0 340.446 3.344 40 0 EGABRO CCCn1nccc1-c1nccnc1CC1CC[NH+](C(C)C)CC1 ZINC000257274709 244388129 /nfs/dbraw/zinc/38/81/29/244388129.db2.gz NMHKFUYNXLIXKH-UHFFFAOYSA-N 1 0 327.476 3.413 40 0 EGABRO Cc1cc2ccccc2n1CC(=O)N1CC[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000257323207 244524056 /nfs/dbraw/zinc/52/40/56/244524056.db2.gz WJEBPUSUYPPFMN-PKOBYXMFSA-N 1 0 325.456 3.083 40 0 EGABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@@H]1CCCO1 ZINC000019589068 212049179 /nfs/dbraw/zinc/04/91/79/212049179.db2.gz CDAGOIRBQFZPQK-YRPNKDGESA-N 1 0 342.483 3.034 40 0 EGABRO C[C@H]1C[C@@H]1C(=O)N(C)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000019462659 212031351 /nfs/dbraw/zinc/03/13/51/212031351.db2.gz XYXLQFRGOUIUPI-TYJOOELLSA-N 1 0 342.483 3.307 40 0 EGABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccccc4F)C[C@H]32)nc1 ZINC000019216019 212005569 /nfs/dbraw/zinc/00/55/69/212005569.db2.gz QIYLVTNGJOUKIP-VPWXQRGCSA-N 1 0 326.415 3.259 40 0 EGABRO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)s1 ZINC000080127379 217281064 /nfs/dbraw/zinc/28/10/64/217281064.db2.gz SFSLXEHEVAEUIE-MNOVXSKESA-N 1 0 345.306 3.072 40 0 EGABRO O[C@@]1(c2cccnc2)CCC[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000012337134 211351445 /nfs/dbraw/zinc/35/14/45/211351445.db2.gz GCEVUISTTAMAGY-OXFYSEKESA-N 1 0 344.405 3.480 40 0 EGABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4ccsc4)C3)cc(N)n2n1 ZINC000012185898 211313064 /nfs/dbraw/zinc/31/30/64/211313064.db2.gz WYULBGNQBYDOQU-CQSZACIVSA-N 1 0 327.457 3.061 40 0 EGABRO CCOc1ccc2[nH]c(C(=O)N(C)CC[NH+]3CCCCC3)c(C)c2c1 ZINC000012206194 211320097 /nfs/dbraw/zinc/32/00/97/211320097.db2.gz IGFIMJOYDDOURA-UHFFFAOYSA-N 1 0 343.471 3.433 40 0 EGABRO Cn1cccc1[C@@H](CNC(=O)c1cccs1)[NH+]1CCCCCC1 ZINC000011846288 211255890 /nfs/dbraw/zinc/25/58/90/211255890.db2.gz TVAABFMEJGRZLH-MRXNPFEDSA-N 1 0 331.485 3.434 40 0 EGABRO COC[C@@H]1CCC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093338016 218215254 /nfs/dbraw/zinc/21/52/54/218215254.db2.gz NTOUQEWGMRFKNF-MRXNPFEDSA-N 1 0 331.435 3.487 40 0 EGABRO CC[NH+]1CCC(NC(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000008937809 211019865 /nfs/dbraw/zinc/01/98/65/211019865.db2.gz PUVAAMQDQPEQSM-UHFFFAOYSA-N 1 0 338.451 3.480 40 0 EGABRO Cn1cc(CCC[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)cn1 ZINC000095421672 218364074 /nfs/dbraw/zinc/36/40/74/218364074.db2.gz IRFMNXDWTJVPOY-UHFFFAOYSA-N 1 0 332.879 3.265 40 0 EGABRO COc1ccsc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096432969 218808514 /nfs/dbraw/zinc/80/85/14/218808514.db2.gz FKEPDRSEXPUFSG-INIZCTEOSA-N 1 0 344.480 3.351 40 0 EGABRO Cc1cccc(-c2cc3nc4c(c(NCC[NH+](C)C)n3n2)CCC4)c1 ZINC000005001344 210356894 /nfs/dbraw/zinc/35/68/94/210356894.db2.gz KLPRJBCRTLOCMT-UHFFFAOYSA-N 1 0 335.455 3.167 40 0 EGABRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1cccc(F)c1F ZINC000097234317 219002644 /nfs/dbraw/zinc/00/26/44/219002644.db2.gz HWQMXLNTAGFVEC-ZENOOKHLSA-N 1 0 337.414 3.152 40 0 EGABRO C[C@H](CC[NH2+][C@@H](C)c1ccc(Br)cc1F)[S@](C)=O ZINC000119208989 221267796 /nfs/dbraw/zinc/26/77/96/221267796.db2.gz XRPXKFAWVUUINM-AUSHCKSDSA-N 1 0 336.270 3.396 40 0 EGABRO COc1cccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3C)CC2)c1 ZINC000012292538 274148851 /nfs/dbraw/zinc/14/88/51/274148851.db2.gz FRYSQBUWQOCPKU-FQEVSTJZSA-N 1 0 341.451 3.021 40 0 EGABRO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)C2)cn1 ZINC000249288943 274893048 /nfs/dbraw/zinc/89/30/48/274893048.db2.gz QHHUIRCEHHVTAV-IHRRRGAJSA-N 1 0 330.398 3.100 40 0 EGABRO CC[NH+](CC)C1CCN(C(=O)C[C@@H]2CCOc3ccccc32)CC1 ZINC000096410140 276092993 /nfs/dbraw/zinc/09/29/93/276092993.db2.gz ZTUAVABNUINVSH-INIZCTEOSA-N 1 0 330.472 3.276 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@@H](c1ccccc1)[C@@H](O)C1CCCC1 ZINC000001593592 276099566 /nfs/dbraw/zinc/09/95/66/276099566.db2.gz ZMMPWOWHQKYBOW-OALUTQOASA-N 1 0 333.472 3.206 40 0 EGABRO CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@@H+]2Cc1cccnc1 ZINC000019589300 277071057 /nfs/dbraw/zinc/07/10/57/277071057.db2.gz MSIFOSFSVIKHLS-VAMGGRTRSA-N 1 0 325.431 3.283 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000183527855 277184304 /nfs/dbraw/zinc/18/43/04/277184304.db2.gz UTNSQQUATZXUSP-UGUYLWEFSA-N 1 0 338.492 3.179 40 0 EGABRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1ccccc1 ZINC000096061669 279396026 /nfs/dbraw/zinc/39/60/26/279396026.db2.gz MOPZLKPOUZZBDC-MSOLQXFVSA-N 1 0 326.440 3.446 40 0 EGABRO O=C(c1cc2ccccc2o1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085473185 304510976 /nfs/dbraw/zinc/51/09/76/304510976.db2.gz BVLMTPKBDAQALJ-MRXNPFEDSA-N 1 0 344.480 3.476 40 0 EGABRO CCN1CC[C@H]([NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000414544604 309087688 /nfs/dbraw/zinc/08/76/88/309087688.db2.gz PECXYSHZTWPPPJ-INIZCTEOSA-N 1 0 332.879 3.326 40 0 EGABRO CC(=O)NC1CCC([NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)CC1 ZINC000133061562 323220540 /nfs/dbraw/zinc/22/05/40/323220540.db2.gz VCNPZRXRDLDBEX-JIZBTBOESA-N 1 0 349.544 3.168 40 0 EGABRO O=c1[nH]c2ccccc2n1C1CC[NH+](CCOc2ccccc2)CC1 ZINC000000001873 452491934 /nfs/dbraw/zinc/49/19/34/452491934.db2.gz NVDBBGBUTKLRSN-UHFFFAOYSA-N 1 0 337.423 3.046 40 0 in-man EGABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1cccc(C)c1 ZINC000001710806 452675030 /nfs/dbraw/zinc/67/50/30/452675030.db2.gz GUBYXLPUICAYLX-OAQYLSRUSA-N 1 0 341.451 3.116 40 0 EGABRO O=C(NCCc1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000001699134 452675641 /nfs/dbraw/zinc/67/56/41/452675641.db2.gz JMIQTUQSOFUWJF-UHFFFAOYSA-N 1 0 336.479 3.300 40 0 EGABRO CC(C)C(=[NH2+])N[C@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000003109664 452743658 /nfs/dbraw/zinc/74/36/58/452743658.db2.gz ATCPTPWMGFXGER-GFCCVEGCSA-N 1 0 336.650 3.336 40 0 EGABRO CC(C)c1ccc([C@@H](Cc2ccccc2)[NH+](CCO)CCO)cc1 ZINC000005963398 452913456 /nfs/dbraw/zinc/91/34/56/452913456.db2.gz BQMGLBRANBSOER-OAQYLSRUSA-N 1 0 327.468 3.380 40 0 EGABRO Cc1[nH]c2ccc(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1C ZINC000012981643 453431980 /nfs/dbraw/zinc/43/19/80/453431980.db2.gz LXFIUVVMAROKNN-OKILXGFUSA-N 1 0 343.471 3.014 40 0 EGABRO O=C(COc1ccc(Cl)cc1Cl)NCCC[NH+]1CCCCC1 ZINC000013670522 453480415 /nfs/dbraw/zinc/48/04/15/453480415.db2.gz KOWHZVAZPMOQFY-UHFFFAOYSA-N 1 0 345.270 3.364 40 0 EGABRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC000026347983 453797811 /nfs/dbraw/zinc/79/78/11/453797811.db2.gz KIZPDLCTCVFZAB-UHFFFAOYSA-N 1 0 337.345 3.092 40 0 EGABRO O=C(CCc1ccccc1F)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032399848 453869834 /nfs/dbraw/zinc/86/98/34/453869834.db2.gz LPLUBIBVKBYATG-UHFFFAOYSA-N 1 0 340.442 3.323 40 0 EGABRO CC[NH+](CC)CCCNC(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000032647915 453881524 /nfs/dbraw/zinc/88/15/24/453881524.db2.gz PVXZVLPCFARQEE-UHFFFAOYSA-N 1 0 342.487 3.010 40 0 EGABRO CCOc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1OCC ZINC000075863398 453933462 /nfs/dbraw/zinc/93/34/62/453933462.db2.gz MWYVJUJEFUEQCI-UHFFFAOYSA-N 1 0 334.460 3.090 40 0 EGABRO CC(C)([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1 ZINC000084370338 453986257 /nfs/dbraw/zinc/98/62/57/453986257.db2.gz KPFMGWQSYMVKPO-UHFFFAOYSA-N 1 0 349.862 3.029 40 0 EGABRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCn2cccc2)CC1 ZINC000084440361 453989121 /nfs/dbraw/zinc/98/91/21/453989121.db2.gz GYJQFBMOSGANGB-QGZVFWFLSA-N 1 0 340.471 3.013 40 0 EGABRO O=C(c1cc2ccccc2o1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000085473182 454030889 /nfs/dbraw/zinc/03/08/89/454030889.db2.gz BVLMTPKBDAQALJ-INIZCTEOSA-N 1 0 344.480 3.476 40 0 EGABRO Cc1noc(C)c1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044873440 454123025 /nfs/dbraw/zinc/12/30/25/454123025.db2.gz WXXOKRSFIBVYLW-UHFFFAOYSA-N 1 0 347.846 3.339 40 0 EGABRO O=C(NCc1ccco1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000057958355 454158547 /nfs/dbraw/zinc/15/85/47/454158547.db2.gz VUODCRSPRRISRA-UHFFFAOYSA-N 1 0 345.468 3.193 40 0 EGABRO CC(C)n1c2cc(C(=O)NCCC[NH+](C)C)n(C)c2c2ccccc21 ZINC000096037356 454265187 /nfs/dbraw/zinc/26/51/87/454265187.db2.gz UCYRPIDMRAJGMR-UHFFFAOYSA-N 1 0 340.471 3.395 40 0 EGABRO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cnn(C)c2)C3)s1 ZINC000096046986 454269208 /nfs/dbraw/zinc/26/92/08/454269208.db2.gz XSOSRKVNXVUZJU-LJQANCHMSA-N 1 0 344.528 3.278 40 0 EGABRO Fc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096047155 454269781 /nfs/dbraw/zinc/26/97/81/454269781.db2.gz MHPWFKDJNDAYSL-LJQANCHMSA-N 1 0 326.419 3.108 40 0 EGABRO O=C1COC2(CC[NH+](Cc3cccs3)CC2)CN1c1ccccc1 ZINC000096049226 454271781 /nfs/dbraw/zinc/27/17/81/454271781.db2.gz NPFYNKKTFDLWIR-UHFFFAOYSA-N 1 0 342.464 3.146 40 0 EGABRO c1csc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049540 454272452 /nfs/dbraw/zinc/27/24/52/454272452.db2.gz HMCBSXYMUVTODJ-LJQANCHMSA-N 1 0 343.496 3.262 40 0 EGABRO C[N@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccco1)CC2 ZINC000096051575 454272675 /nfs/dbraw/zinc/27/26/75/454272675.db2.gz JDLJSUCATREACL-KRWDZBQOSA-N 1 0 328.412 3.389 40 0 EGABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(Cc1ccc(C)o1)CCC2 ZINC000096055904 454274813 /nfs/dbraw/zinc/27/48/13/454274813.db2.gz SECWQRALNWAVQA-PXNSSMCTSA-N 1 0 348.487 3.074 40 0 EGABRO CN(Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000096056295 454275485 /nfs/dbraw/zinc/27/54/85/454275485.db2.gz SCMLNPXUYUIPOE-YTQUADARSA-N 1 0 346.496 3.310 40 0 EGABRO Fc1ccc(-c2ncnc3c2CC[N@H+](Cc2ccccn2)CC3)cc1 ZINC000096058704 454275812 /nfs/dbraw/zinc/27/58/12/454275812.db2.gz MJGGKEOKJFRPEN-UHFFFAOYSA-N 1 0 334.398 3.279 40 0 EGABRO O=C(c1ccsc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccncc2)C1 ZINC000096071494 454278822 /nfs/dbraw/zinc/27/88/22/454278822.db2.gz OCMWWQYJIYAJMA-LJQANCHMSA-N 1 0 341.480 3.414 40 0 EGABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000096106575 454284562 /nfs/dbraw/zinc/28/45/62/454284562.db2.gz WSOFABHWAMFTJD-SFHVURJKSA-N 1 0 326.440 3.395 40 0 EGABRO Cc1noc(C)c1C[NH+]1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC000096106461 454284980 /nfs/dbraw/zinc/28/49/80/454284980.db2.gz BKBDEPDOYPNZRN-SFHVURJKSA-N 1 0 348.487 3.337 40 0 EGABRO c1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(COCC3CCOCC3)C2)cc1 ZINC000096110363 454286038 /nfs/dbraw/zinc/28/60/38/454286038.db2.gz LHUVQZWEEFPDRT-RTWAWAEBSA-N 1 0 345.483 3.111 40 0 EGABRO Cc1cccc(COC[C@H]2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccoc3)O2)n1 ZINC000096186772 454298914 /nfs/dbraw/zinc/29/89/14/454298914.db2.gz GIPAFTZGVGMWPU-AABGKKOBSA-N 1 0 342.439 3.322 40 0 EGABRO Cn1cc(C[C@H]2[C@H](OCC3CC3)CC[N@@H+]2Cc2ccsc2)cn1 ZINC000096200249 454302449 /nfs/dbraw/zinc/30/24/49/454302449.db2.gz MWBVMOJMTYEPSJ-ZWKOTPCHSA-N 1 0 331.485 3.094 40 0 EGABRO c1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](Nc2ccccn2)CCO3)cs1 ZINC000096205992 454304299 /nfs/dbraw/zinc/30/42/99/454304299.db2.gz NRVPLAQTZZBDSM-SJLPKXTDSA-N 1 0 329.469 3.379 40 0 EGABRO Cc1ccoc1C(=O)N1CCC2(CC[C@H](COCC3CC3)[N@H+]2C)CC1 ZINC000096208669 454305442 /nfs/dbraw/zinc/30/54/42/454305442.db2.gz OSEROHBRIKNYJP-QGZVFWFLSA-N 1 0 346.471 3.084 40 0 EGABRO Fc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216925 454307011 /nfs/dbraw/zinc/30/70/11/454307011.db2.gz YOEIYCGQGADOPN-LJQANCHMSA-N 1 0 326.419 3.108 40 0 EGABRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccncc4)C3)CC2=O)s1 ZINC000096239337 454310510 /nfs/dbraw/zinc/31/05/10/454310510.db2.gz CUQYZOSCHGZKRV-SFHVURJKSA-N 1 0 327.453 3.081 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)o1 ZINC000096244834 454311065 /nfs/dbraw/zinc/31/10/65/454311065.db2.gz CEFVYXYBTXNHLX-NRFANRHFSA-N 1 0 336.435 3.488 40 0 EGABRO CC(C)NC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096241270 454311499 /nfs/dbraw/zinc/31/14/99/454311499.db2.gz FEEGXCIVAJOQOH-NVXWUHKLSA-N 1 0 339.480 3.102 40 0 EGABRO c1cc(C[N@H+]2CC[C@H]3OCCN(Cc4ccncc4)[C@@H]3CC2)cs1 ZINC000096249411 454311729 /nfs/dbraw/zinc/31/17/29/454311729.db2.gz HJVYVSMAVAQMAD-RTBURBONSA-N 1 0 343.496 3.009 40 0 EGABRO CCc1ocnc1C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000096420389 454335567 /nfs/dbraw/zinc/33/55/67/454335567.db2.gz CKKHVRQLKVUALX-KBXCAEBGSA-N 1 0 344.411 3.095 40 0 EGABRO Cc1cnc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000096433760 454344468 /nfs/dbraw/zinc/34/44/68/454344468.db2.gz MAYCGGIKSWPQJE-INIZCTEOSA-N 1 0 344.484 3.437 40 0 EGABRO CSc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000096461206 454359645 /nfs/dbraw/zinc/35/96/45/454359645.db2.gz ZAJALAGMSRMVLZ-ZQIUZPCESA-N 1 0 335.517 3.451 40 0 EGABRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3ccco3)CC2)cc1 ZINC000096476417 454362695 /nfs/dbraw/zinc/36/26/95/454362695.db2.gz GSAQUZANKQWIDK-HNNXBMFYSA-N 1 0 348.468 3.092 40 0 EGABRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000096479246 454363859 /nfs/dbraw/zinc/36/38/59/454363859.db2.gz ALAGLLHCBOENEU-CXAGYDPISA-N 1 0 342.418 3.109 40 0 EGABRO Cc1cc(N2CCC([NH2+][C@H](C)Cc3ccsc3)CC2)nc(C)n1 ZINC000096479072 454364174 /nfs/dbraw/zinc/36/41/74/454364174.db2.gz QPGLAMFEUWYZLG-CYBMUJFWSA-N 1 0 330.501 3.345 40 0 EGABRO CC(C)(C)OC(=O)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000096484346 454366163 /nfs/dbraw/zinc/36/61/63/454366163.db2.gz YKNYBBXOYYPXBJ-QZTJIDSGSA-N 1 0 330.472 3.358 40 0 EGABRO C[C@@H](CC[NH2+][C@@H]1CCCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000096491679 454368744 /nfs/dbraw/zinc/36/87/44/454368744.db2.gz ISVPSVXLECNTKR-SWLSCSKDSA-N 1 0 349.418 3.366 40 0 EGABRO O=S1(=O)CCC[C@@H]([NH2+]CCc2cccc(-c3ccccc3)c2)C1 ZINC000096491694 454369005 /nfs/dbraw/zinc/36/90/05/454369005.db2.gz AJBFMIOYDMTPMJ-LJQANCHMSA-N 1 0 329.465 3.063 40 0 EGABRO Cc1ccc(OCCC[NH2+][C@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000097098765 454406452 /nfs/dbraw/zinc/40/64/52/454406452.db2.gz QPLKUTSJQDQPKG-SFHVURJKSA-N 1 0 345.464 3.272 40 0 EGABRO CC(C)[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000091280671 454421902 /nfs/dbraw/zinc/42/19/02/454421902.db2.gz CVYZCHWOIQXLQD-IUODEOHRSA-N 1 0 349.418 3.427 40 0 EGABRO Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)nc12 ZINC000097228474 454427751 /nfs/dbraw/zinc/42/77/51/454427751.db2.gz CDRGUKVXCWQGQR-IZHWHUGBSA-N 1 0 341.480 3.273 40 0 EGABRO O=C(Nc1ccc(NC2CCOCC2)cc1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000097376439 454434494 /nfs/dbraw/zinc/43/44/94/454434494.db2.gz KNDUPSBQAJNUMA-LJQANCHMSA-N 1 0 343.471 3.090 40 0 EGABRO C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1nccs1 ZINC000097378824 454435976 /nfs/dbraw/zinc/43/59/76/454435976.db2.gz GFABNTBMLOOSDT-DZKIICNBSA-N 1 0 344.484 3.024 40 0 EGABRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000133534596 454436726 /nfs/dbraw/zinc/43/67/26/454436726.db2.gz MUGIYKFHIKGPRI-IMBJVDQRSA-N 1 0 338.879 3.453 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1 ZINC000049169548 454537155 /nfs/dbraw/zinc/53/71/55/454537155.db2.gz UZJGHDGWYYNUQA-INIZCTEOSA-N 1 0 336.395 3.130 40 0 biogenic,in-vitro EGABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3ccco3)C2)o1 ZINC000049170014 454537381 /nfs/dbraw/zinc/53/73/81/454537381.db2.gz ZIOBMPUEICRAJB-ZDUSSCGKSA-N 1 0 325.368 3.328 40 0 biogenic,in-vitro EGABRO C/C1=C\[C@@H](O)[C@@H]2[C@H](C[NH+]3CCCCC3)C(=O)O[C@H]2C/C(C)=C\CC1 ZINC000105364742 454637265 /nfs/dbraw/zinc/63/72/65/454637265.db2.gz PBRLWNMMGXHHMD-MIRDGYIZSA-N 1 0 333.472 3.068 40 0 EGABRO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245478340 455310622 /nfs/dbraw/zinc/31/06/22/455310622.db2.gz VIMUUAWFLLFZKG-BZSNNMDCSA-N 1 0 329.488 3.306 40 0 EGABRO Cc1ccc(C(=O)CCN2CCSC[C@H]2c2cnn(C)c2)cc1 ZINC000191221364 455466573 /nfs/dbraw/zinc/46/65/73/455466573.db2.gz FQJFGKSAAJJGKA-KRWDZBQOSA-N 1 0 329.469 3.091 40 0 EGABRO C[C@@H](c1cnccn1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000185385144 455552215 /nfs/dbraw/zinc/55/22/15/455552215.db2.gz DMFMGENROMBWFV-NSHDSACASA-N 1 0 325.338 3.090 40 0 EGABRO Fc1cccnc1OCC[C@@H]1CCOC12CC[NH+](CC1CC1)CC2 ZINC000247558616 455624802 /nfs/dbraw/zinc/62/48/02/455624802.db2.gz YADBJZSUHVTQMJ-MRXNPFEDSA-N 1 0 334.435 3.271 40 0 EGABRO COCc1cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1OC ZINC000248749747 455729704 /nfs/dbraw/zinc/72/97/04/455729704.db2.gz SXBGCKHXZBMAAF-QVSURHGTSA-N 1 0 331.456 3.450 40 0 EGABRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249840060 455777683 /nfs/dbraw/zinc/77/76/83/455777683.db2.gz WBVLCVHAYAQPDX-YPMHNXCESA-N 1 0 343.254 3.067 40 0 EGABRO COCCC1(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)CCCCC1 ZINC000249940765 455783616 /nfs/dbraw/zinc/78/36/16/455783616.db2.gz SYVKWEDGZQGWQE-RCCFBDPRSA-N 1 0 325.493 3.242 40 0 EGABRO COc1ccc([C@@H]2[C@@H](CNC(=O)C3(SC)CC3)CCC[N@@H+]2C)cc1 ZINC000252499960 455815596 /nfs/dbraw/zinc/81/55/96/455815596.db2.gz SJZJRTORYXMECC-NVXWUHKLSA-N 1 0 348.512 3.090 40 0 EGABRO CC(=O)N(c1ccccc1)[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000257320912 455890816 /nfs/dbraw/zinc/89/08/16/455890816.db2.gz VZGAFPXJIZGZTA-LJQANCHMSA-N 1 0 328.456 3.073 40 0 EGABRO Cc1cc(C(F)(F)F)nc(C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000257333196 455894517 /nfs/dbraw/zinc/89/45/17/455894517.db2.gz YAOMEIWBRFFVRH-KGLIPLIRSA-N 1 0 343.393 3.287 40 0 EGABRO CC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257342883 455895729 /nfs/dbraw/zinc/89/57/29/455895729.db2.gz ZQMJFHYOLAQVGE-HXUWFJFHSA-N 1 0 339.439 3.279 40 0 EGABRO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000261798471 455950153 /nfs/dbraw/zinc/95/01/53/455950153.db2.gz ZSLLKEYOXSZZQA-AWEZNQCLSA-N 1 0 344.377 3.022 40 0 EGABRO COc1cccc([C@H]2[C@@H](NC(=O)N(C)C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000195555474 455985090 /nfs/dbraw/zinc/98/50/90/455985090.db2.gz RONXRPOSVLNUOV-ROUUACIJSA-N 1 0 331.460 3.023 40 0 EGABRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000195562032 455985514 /nfs/dbraw/zinc/98/55/14/455985514.db2.gz CFERQOTZURSPBJ-RHSMWYFYSA-N 1 0 337.423 3.265 40 0 EGABRO Cc1cc2sc(NC(=O)NCCCn3ccnc3)nc2cc1F ZINC000280520538 455988924 /nfs/dbraw/zinc/98/89/24/455988924.db2.gz NYJWXTWGHFQHBH-UHFFFAOYSA-N 1 0 333.392 3.152 40 0 EGABRO C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H](C)N1CC[C@@H]1CCCCO1 ZINC000225411887 456081542 /nfs/dbraw/zinc/08/15/42/456081542.db2.gz UIMCRFFZMZMAPL-WCIQWLHISA-N 1 0 338.536 3.299 40 0 EGABRO COC1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC(C)CC1 ZINC000225640176 456100066 /nfs/dbraw/zinc/10/00/66/456100066.db2.gz OENMQEXNBKDQJX-UHFFFAOYSA-N 1 0 334.460 3.161 40 0 EGABRO Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)[C@H](C)C2 ZINC000230306299 456136429 /nfs/dbraw/zinc/13/64/29/456136429.db2.gz NMWRACKFUNUYRX-LLGFUMIMSA-N 1 0 328.500 3.319 40 0 EGABRO COCc1cc(F)ccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000188857853 456153601 /nfs/dbraw/zinc/15/36/01/456153601.db2.gz XEZSQTXZGLXZBS-HNNXBMFYSA-N 1 0 349.450 3.312 40 0 EGABRO Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CCF)CC2)s1 ZINC000585100587 459823124 /nfs/dbraw/zinc/82/31/24/459823124.db2.gz OUFFAQAEDOICGQ-QGZVFWFLSA-N 1 0 339.480 3.077 40 0 EGABRO c1csc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)c1 ZINC000585105370 459825007 /nfs/dbraw/zinc/82/50/07/459825007.db2.gz VLHZDGIDFQBHBV-HNNXBMFYSA-N 1 0 339.526 3.251 40 0 EGABRO O=C1OC2(CN1c1cccc(CC3CC[NH2+]CC3)n1)CCCCC2 ZINC000585178817 459831619 /nfs/dbraw/zinc/83/16/19/459831619.db2.gz ZQMUFLZTBAJFCI-UHFFFAOYSA-N 1 0 329.444 3.283 40 0 EGABRO CCCC(CCC)[N@@H+]1CCOC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585287847 459833329 /nfs/dbraw/zinc/83/33/29/459833329.db2.gz TUTMADXBZORMRE-LJQANCHMSA-N 1 0 339.451 3.237 40 0 EGABRO Cc1ccccc1OC[C@]1(O)COCC[N@@H+](C2CCC(C)(C)CC2)C1 ZINC000585287801 459833619 /nfs/dbraw/zinc/83/36/19/459833619.db2.gz SCVJYECPEHKRKU-OAQYLSRUSA-N 1 0 347.499 3.406 40 0 EGABRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000154053127 533870416 /nfs/dbraw/zinc/87/04/16/533870416.db2.gz MIESCPFGTVZLPS-UHFFFAOYSA-N 1 0 340.395 3.136 40 0 EGABRO Cc1cccc(C[N@@H+]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1 ZINC000019234951 524408395 /nfs/dbraw/zinc/40/83/95/524408395.db2.gz HXSYKEJYMWBQLF-INIZCTEOSA-N 1 0 335.411 3.133 40 0 EGABRO COc1cccc(N2CC[NH+](CCOc3ccc(F)cc3)CC2)c1 ZINC000040161516 537122862 /nfs/dbraw/zinc/12/28/62/537122862.db2.gz RIEREDOXFCFZLH-UHFFFAOYSA-N 1 0 330.403 3.035 40 0 EGABRO COc1ccc(COC[C@@H](O)C[N@@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000037458329 213148386 /nfs/dbraw/zinc/14/83/86/213148386.db2.gz JTPCBFNAABBCTR-ZBFHGGJFSA-N 1 0 347.480 3.254 40 0 EGABRO CCOc1c(Cl)cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1OC ZINC000072324689 216151426 /nfs/dbraw/zinc/15/14/26/216151426.db2.gz KZURJJCKLMCGII-UKRRQHHQSA-N 1 0 338.879 3.416 40 0 EGABRO Cc1nccn1-c1nccnc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000072350482 216161521 /nfs/dbraw/zinc/16/15/21/216161521.db2.gz XNQZFTZKKPBGHQ-UHFFFAOYSA-N 1 0 333.439 3.350 40 0 EGABRO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cc(CCC(N)=O)cc(C)n2)c1 ZINC000072367127 216172434 /nfs/dbraw/zinc/17/24/34/216172434.db2.gz KNCNEYSBCHNFAX-HXUWFJFHSA-N 1 0 337.467 3.453 40 0 EGABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072379053 216181049 /nfs/dbraw/zinc/18/10/49/216181049.db2.gz YSFTUYYNDGVBFN-QGZVFWFLSA-N 1 0 333.439 3.350 40 0 EGABRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC000072605839 216281306 /nfs/dbraw/zinc/28/13/06/216281306.db2.gz DOGAMQSUGDQFJK-UONOGXRCSA-N 1 0 344.546 3.382 40 0 EGABRO Cc1ccc(F)cc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000073573964 216397667 /nfs/dbraw/zinc/39/76/67/216397667.db2.gz RUSFYAFDGSPCFG-UHFFFAOYSA-N 1 0 330.403 3.464 40 0 EGABRO C[NH+](C)[C@@H](CNC(=O)NCCCc1ccccc1)c1ccsc1 ZINC000022679006 212316551 /nfs/dbraw/zinc/31/65/51/212316551.db2.gz MHXKZUKTQNCDAK-KRWDZBQOSA-N 1 0 331.485 3.283 40 0 EGABRO Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C[NH3+])cc1 ZINC000218620603 241335727 /nfs/dbraw/zinc/33/57/27/241335727.db2.gz FVXXPXBGEWPOEA-IKGGRYGDSA-N 1 0 335.856 3.163 40 0 EGABRO COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000230192444 242247519 /nfs/dbraw/zinc/24/75/19/242247519.db2.gz QNVQELPUXOIYMT-LZLYRXPVSA-N 1 0 345.487 3.190 40 0 EGABRO Fc1ccc(-n2nccc2C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000242302149 243014175 /nfs/dbraw/zinc/01/41/75/243014175.db2.gz YPWXKCNYUVCXJZ-YJBOKZPZSA-N 1 0 347.459 3.156 40 0 EGABRO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257200560 244116710 /nfs/dbraw/zinc/11/67/10/244116710.db2.gz ADUGZBWIGODWDW-ZDUSSCGKSA-N 1 0 340.456 3.011 40 0 EGABRO c1cc2c(cccc2C[C@H]2COCC[N@@H+](CC3CCOCC3)C2)o1 ZINC000257242008 244247602 /nfs/dbraw/zinc/24/76/02/244247602.db2.gz IAPYUQKZJNQIMX-QGZVFWFLSA-N 1 0 329.440 3.350 40 0 EGABRO Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@H]2[NH2+]CCCCC[C@H]21 ZINC000257252259 244273527 /nfs/dbraw/zinc/27/35/27/244273527.db2.gz JUDODZZHACDPPI-ZIAGYGMSSA-N 1 0 341.377 3.156 40 0 EGABRO Cn1ccnc1-c1cnc(CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000257255112 244279955 /nfs/dbraw/zinc/27/99/55/244279955.db2.gz KGDNQIHAJSJWOD-UHFFFAOYSA-N 1 0 325.460 3.074 40 0 EGABRO Cc1cc(C)nc(Nc2cncc(C3CC[NH+](CC4CC4)CC3)n2)n1 ZINC000257264552 244359632 /nfs/dbraw/zinc/35/96/32/244359632.db2.gz LUYWCELCWYTKTE-UHFFFAOYSA-N 1 0 338.459 3.216 40 0 EGABRO COc1cc(C[NH2+][C@@H]2COC[C@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000019595153 212049819 /nfs/dbraw/zinc/04/98/19/212049819.db2.gz MUNDTQQPPSVXDG-RBUKOAKNSA-N 1 0 331.387 3.115 40 0 EGABRO Cc1nn(C(C)C)c(C)c1CN(CC[NH+](C)C)Cc1cccnc1 ZINC000019577420 212045897 /nfs/dbraw/zinc/04/58/97/212045897.db2.gz UYAHSBBWRKRWGC-UHFFFAOYSA-N 1 0 329.492 3.040 40 0 EGABRO CC[NH+]1CCC(N(C(=O)c2cc(C)no2)c2ccccc2OC)CC1 ZINC000078449441 217054456 /nfs/dbraw/zinc/05/44/56/217054456.db2.gz IFIJCIXNAMFRIR-UHFFFAOYSA-N 1 0 343.427 3.123 40 0 EGABRO O=C(COc1cccc(C(F)(F)F)c1)NCCC[NH+]1CCCCC1 ZINC000078477405 217059266 /nfs/dbraw/zinc/05/92/66/217059266.db2.gz YNIDYGZTXTZDFI-UHFFFAOYSA-N 1 0 344.377 3.076 40 0 EGABRO Cn1cc(C[NH2+]Cc2cccc(OC(F)F)c2)c(-c2cccnc2)n1 ZINC000078553452 217074757 /nfs/dbraw/zinc/07/47/57/217074757.db2.gz YKNJWOKASATFTN-UHFFFAOYSA-N 1 0 344.365 3.373 40 0 EGABRO C[C@@H]([NH2+]C1(CNC(=O)c2ccsc2)CCOCC1)c1ccccc1 ZINC000079096418 217191256 /nfs/dbraw/zinc/19/12/56/217191256.db2.gz LKQRTQSKMULRMX-OAHLLOKOSA-N 1 0 344.480 3.378 40 0 EGABRO C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000080086826 217278135 /nfs/dbraw/zinc/27/81/35/217278135.db2.gz OWQNMEZCTUYOIS-GJZGRUSLSA-N 1 0 346.446 3.168 40 0 EGABRO O=C(c1cccs1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000264197869 246169918 /nfs/dbraw/zinc/16/99/18/246169918.db2.gz PSJSRCSWNWJNLC-UHFFFAOYSA-N 1 0 326.465 3.411 40 0 EGABRO Cc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1 ZINC000012292164 211335534 /nfs/dbraw/zinc/33/55/34/211335534.db2.gz CFRDMUGCMHWEEH-LJQANCHMSA-N 1 0 329.415 3.151 40 0 EGABRO COc1cccc([C@@H](O)C[NH+]2CCC(O)(c3cccc(C)c3)CC2)c1 ZINC000012292544 211335322 /nfs/dbraw/zinc/33/53/22/211335322.db2.gz YVKUUAXJNSGHPW-FQEVSTJZSA-N 1 0 341.451 3.021 40 0 EGABRO C[C@@H]([NH2+]Cc1ccc(OCCO)cc1)c1ccc2c(c1)OCCCO2 ZINC000012238319 211328328 /nfs/dbraw/zinc/32/83/28/211328328.db2.gz OQNSEWRJXJDPFQ-OAHLLOKOSA-N 1 0 343.423 3.070 40 0 EGABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000012239815 211328097 /nfs/dbraw/zinc/32/80/97/211328097.db2.gz KLMPZFQNKCLOKB-IBGZPJMESA-N 1 0 344.499 3.116 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119072 211298083 /nfs/dbraw/zinc/29/80/83/211298083.db2.gz BGUAKEYCZGWPIG-INIZCTEOSA-N 1 0 338.407 3.440 40 0 EGABRO Cc1nc2sccn2c1CN(CCC[NH+](C)C)Cc1ccco1 ZINC000012116766 211295924 /nfs/dbraw/zinc/29/59/24/211295924.db2.gz GUQPIHNZMSGDDL-UHFFFAOYSA-N 1 0 332.473 3.251 40 0 EGABRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000092101834 218119214 /nfs/dbraw/zinc/11/92/14/218119214.db2.gz RPAWJIGAGCQHJT-CYBMUJFWSA-N 1 0 346.805 3.242 40 0 EGABRO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)c1C ZINC000010340038 211167130 /nfs/dbraw/zinc/16/71/30/211167130.db2.gz GHEKDWLCNHJSDP-INIZCTEOSA-N 1 0 340.423 3.438 40 0 EGABRO CN(C)C(=O)COc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000093335255 218215171 /nfs/dbraw/zinc/21/51/71/218215171.db2.gz APIUTRYYNGYGRL-MRXNPFEDSA-N 1 0 328.412 3.084 40 0 EGABRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CC2CCSCC2)C1 ZINC000095417001 218356776 /nfs/dbraw/zinc/35/67/76/218356776.db2.gz ZYPNJWXWCYLFHU-SFHVURJKSA-N 1 0 332.513 3.253 40 0 EGABRO C[C@](O)(C[NH2+]C1CCN(CCc2ccccc2)CC1)c1ccsc1 ZINC000095423043 218364722 /nfs/dbraw/zinc/36/47/22/218364722.db2.gz AKIUXOLKOYKSIB-FQEVSTJZSA-N 1 0 344.524 3.252 40 0 EGABRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CCOCC1 ZINC000095423358 218365794 /nfs/dbraw/zinc/36/57/94/218365794.db2.gz BMBOARDOHDAIOH-FVQBIDKESA-N 1 0 326.481 3.085 40 0 EGABRO CCn1nccc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000095435687 218378667 /nfs/dbraw/zinc/37/86/67/218378667.db2.gz MVABQPQCVKVHSM-UHFFFAOYSA-N 1 0 327.428 3.233 40 0 EGABRO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1cccs1)CC2 ZINC000096051771 218542627 /nfs/dbraw/zinc/54/26/27/218542627.db2.gz FZPDXWQUJUYSKP-HNNXBMFYSA-N 1 0 336.501 3.100 40 0 EGABRO Cc1csc(CN2CCC3(CC[C@H](COCC4CC4)[N@H+]3C)CC2)n1 ZINC000096208747 218683923 /nfs/dbraw/zinc/68/39/23/218683923.db2.gz LUZUGRCUUNGPLV-QGZVFWFLSA-N 1 0 349.544 3.307 40 0 EGABRO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@H]1CCCS1 ZINC000096436395 218815415 /nfs/dbraw/zinc/81/54/15/218815415.db2.gz QQKHZCBOVXOPON-QGZVFWFLSA-N 1 0 336.476 3.050 40 0 EGABRO COc1cccc(/C=C/CC[NH+]2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000096455297 218840411 /nfs/dbraw/zinc/84/04/11/218840411.db2.gz BRLCVCKOQAJHBY-FARCUNLSSA-N 1 0 342.483 3.433 40 0 EGABRO C[C@@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)N(C)c1ccccc1 ZINC000096476619 218853306 /nfs/dbraw/zinc/85/33/06/218853306.db2.gz QJZYIABUAAAHGG-SFHVURJKSA-N 1 0 338.499 3.161 40 0 EGABRO C[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc2ccccc2c1 ZINC000129314287 533135980 /nfs/dbraw/zinc/13/59/80/533135980.db2.gz BOURVSQNQHWQSX-HZPDHXFCSA-N 1 0 325.456 3.494 40 0 EGABRO CCc1onc(C)c1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000119282647 221284429 /nfs/dbraw/zinc/28/44/29/221284429.db2.gz YUHVTNHFIVRUPX-XJKSGUPXSA-N 1 0 342.443 3.187 40 0 EGABRO COc1ccc(/C=C/C(=O)NCCC[NH+]2CCCCCC2)cc1OC ZINC000013670198 257912154 /nfs/dbraw/zinc/91/21/54/257912154.db2.gz SDMRAODUVLEPPH-PKNBQFBNSA-N 1 0 346.471 3.099 40 0 EGABRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc(CSC3CCCC3)c2)C1 ZINC000187843201 533484960 /nfs/dbraw/zinc/48/49/60/533484960.db2.gz DJQAUOFCFVSTPT-DOTOQJQBSA-N 1 0 334.485 3.178 40 0 EGABRO CC(=O)N1CCCc2cc([C@H](O)C[N@@H+](C)Cc3ccccc3)ccc21 ZINC000036741195 132392806 /nfs/dbraw/zinc/39/28/06/132392806.db2.gz BYWIDFVDPXZISY-OAQYLSRUSA-N 1 0 338.451 3.151 40 0 EGABRO C[C@@H](Oc1cccc(Cl)c1)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000261703542 274275356 /nfs/dbraw/zinc/27/53/56/274275356.db2.gz KHJODUOPQTVFKD-IUODEOHRSA-N 1 0 330.815 3.024 40 0 EGABRO c1csc(CN2CCO[C@]3(CCC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC000096074946 275074760 /nfs/dbraw/zinc/07/47/60/275074760.db2.gz ZJNGWVDGBZDTFY-IBGZPJMESA-N 1 0 343.496 3.010 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)[C@@H]1C=CCCC1 ZINC000001710997 276099608 /nfs/dbraw/zinc/09/96/08/276099608.db2.gz HECLTPBVEVCPQT-UYAOXDASSA-N 1 0 331.456 3.116 40 0 EGABRO C[NH+]1CCC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000063527795 277038382 /nfs/dbraw/zinc/03/83/82/277038382.db2.gz KWCWLNVZONRQOJ-UHFFFAOYSA-N 1 0 326.362 3.263 40 0 EGABRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1ccccc1 ZINC000096061670 279395728 /nfs/dbraw/zinc/39/57/28/279395728.db2.gz TUDPMEBJFIZJEP-MOPGFXCFSA-N 1 0 326.440 3.446 40 0 EGABRO C[NH+](C)CCN(Cc1ccccn1)Cc1cc2c(cc1Cl)OCO2 ZINC000022913947 289148873 /nfs/dbraw/zinc/14/88/73/289148873.db2.gz GWTJLWYRNMEPFE-UHFFFAOYSA-N 1 0 347.846 3.028 40 0 EGABRO C[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)CCN1c1nc2ccccc2o1 ZINC000535086068 314026038 /nfs/dbraw/zinc/02/60/38/314026038.db2.gz XVCWORQDXZUMCO-AWEZNQCLSA-N 1 0 347.422 3.415 40 0 EGABRO CCN(C(=O)Nc1ccncc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000097096232 323214690 /nfs/dbraw/zinc/21/46/90/323214690.db2.gz GBCWCJGPWLSZRV-MRXNPFEDSA-N 1 0 342.418 3.349 40 0 EGABRO O=C(CCc1cncc(F)c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000097102291 323214716 /nfs/dbraw/zinc/21/47/16/323214716.db2.gz LYHLFOMCWQWRNA-SFHVURJKSA-N 1 0 339.414 3.165 40 0 EGABRO COc1cccc([C@@H]2[C@@H](NC(=O)N(C)C(C)C)CC[N@@H+]2C2CC2)c1 ZINC000097234655 323215277 /nfs/dbraw/zinc/21/52/77/323215277.db2.gz RONXRPOSVLNUOV-ZWKOTPCHSA-N 1 0 331.460 3.023 40 0 EGABRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000119479788 323216580 /nfs/dbraw/zinc/21/65/80/323216580.db2.gz MJBWKJGZBBBVHL-RDFMZFSFSA-N 1 0 348.443 3.179 40 0 EGABRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cc2ccccc2s1 ZINC000188302476 323762862 /nfs/dbraw/zinc/76/28/62/323762862.db2.gz SPTMVSHULUINCB-AEGPPILISA-N 1 0 332.469 3.188 40 0 EGABRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)ns1 ZINC000390833508 324283256 /nfs/dbraw/zinc/28/32/56/324283256.db2.gz IOAFIWJVCFTLLU-UHFFFAOYSA-N 1 0 339.848 3.298 40 0 EGABRO COc1cc(C[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc(OC)c1OC ZINC000001612267 452669752 /nfs/dbraw/zinc/66/97/52/452669752.db2.gz AVCDJNBVMZQBOT-OAHLLOKOSA-N 1 0 340.423 3.306 40 0 EGABRO COc1cc([C@@H]([NH3+])CCc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000001669567 452672524 /nfs/dbraw/zinc/67/25/24/452672524.db2.gz JDVJPHFAXZLSNL-AWEZNQCLSA-N 1 0 345.395 3.074 40 0 EGABRO CC1(C)CCC[N@@H+]1CCOC(=O)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000002011873 452682588 /nfs/dbraw/zinc/68/25/88/452682588.db2.gz OZMLXLPGCQFBKZ-OAQYLSRUSA-N 1 0 345.483 3.482 40 0 EGABRO COc1cc(OC)c(C(=O)CCC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000002016061 452683563 /nfs/dbraw/zinc/68/35/63/452683563.db2.gz KMXVFCRYIUCLRS-CQSZACIVSA-N 1 0 335.444 3.407 40 0 in-man EGABRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000002218852 452690589 /nfs/dbraw/zinc/69/05/89/452690589.db2.gz ZDSMMZLZVFAZGS-CYBMUJFWSA-N 1 0 332.194 3.439 40 0 EGABRO COc1ccc(CC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000005335533 452861304 /nfs/dbraw/zinc/86/13/04/452861304.db2.gz LOVIMBVXYZCWBS-UHFFFAOYSA-N 1 0 344.430 3.208 40 0 EGABRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(F)cc2F)CC1 ZINC000007268397 453053599 /nfs/dbraw/zinc/05/35/99/453053599.db2.gz SXXPXCWEXAMLMD-UHFFFAOYSA-N 1 0 345.393 3.359 40 0 EGABRO COc1ccc([C@H](CNc2ncnc3sccc32)[NH+](C)C)cc1 ZINC000008063235 453155867 /nfs/dbraw/zinc/15/58/67/453155867.db2.gz NCKGMZCMILBDJA-HNNXBMFYSA-N 1 0 328.441 3.415 40 0 EGABRO CCOc1cccc(CNCCC[NH2+]C)c1OCc1ccccc1 ZINC000008325503 453191710 /nfs/dbraw/zinc/19/17/10/453191710.db2.gz UNOZXQUUHRLDLR-UHFFFAOYSA-N 1 0 328.456 3.363 40 0 EGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccccc1C ZINC000010544233 453295391 /nfs/dbraw/zinc/29/53/91/453295391.db2.gz GQCQGALMXPLVPU-SFHVURJKSA-N 1 0 338.517 3.069 40 0 EGABRO O=C1N[C@]2(CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)Nc2ccccc21 ZINC000012086058 453344462 /nfs/dbraw/zinc/34/44/62/453344462.db2.gz PURXELHQIVUYIF-MDKPJZGXSA-N 1 0 333.435 3.080 40 0 EGABRO O[C@H](C[N@@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000012251842 453352265 /nfs/dbraw/zinc/35/22/65/453352265.db2.gz FEYIPQUQFKKAGF-UXHICEINSA-N 1 0 347.405 3.372 40 0 EGABRO Cc1cccc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000013569029 453471713 /nfs/dbraw/zinc/47/17/13/453471713.db2.gz XWLWWCXOAWUIFK-UHFFFAOYSA-N 1 0 339.483 3.115 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1cccc(C)c1 ZINC000013632103 453476550 /nfs/dbraw/zinc/47/65/50/453476550.db2.gz GOBTYRVSKNMOGR-GOSISDBHSA-N 1 0 338.517 3.069 40 0 EGABRO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@@H+]2Cc1c[nH]nc1C(C)(C)C ZINC000019712327 453658976 /nfs/dbraw/zinc/65/89/76/453658976.db2.gz SBWVLPXNGSNUCH-DLBZAZTESA-N 1 0 332.492 3.073 40 0 EGABRO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+]([C@@H]1CC(=O)N(c3ccc(F)cc3)C1=O)C2 ZINC000019973446 453660788 /nfs/dbraw/zinc/66/07/88/453660788.db2.gz RDGHEVPKBFRRFQ-JXXFODFXSA-N 1 0 344.430 3.358 40 0 EGABRO CC[C@H](CNC(=O)c1cccc(OC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000029909222 453832591 /nfs/dbraw/zinc/83/25/91/453832591.db2.gz HMRSOEDWUHJEBK-LJQANCHMSA-N 1 0 338.451 3.262 40 0 EGABRO CC[C@H](CNC(=O)c1ccccc1OC)[N@@H+]1CCc2ccccc2C1 ZINC000032445808 453873190 /nfs/dbraw/zinc/87/31/90/453873190.db2.gz BMVUFHVDSSIFHR-GOSISDBHSA-N 1 0 338.451 3.262 40 0 EGABRO Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)CCOc2ccccc2C)cc1 ZINC000032806035 453891846 /nfs/dbraw/zinc/89/18/46/453891846.db2.gz IEUVBZHORBOXPQ-SFHVURJKSA-N 1 0 340.467 3.319 40 0 EGABRO COc1ccc([C@H](CO)[N@H+](C)C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000075742406 453923761 /nfs/dbraw/zinc/92/37/61/453923761.db2.gz YVOCTSKKMBDQMR-ZWKOTPCHSA-N 1 0 335.831 3.047 40 0 EGABRO Cc1cnc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)s1 ZINC000075995873 453945995 /nfs/dbraw/zinc/94/59/95/453945995.db2.gz WTHWNSOUURFBHL-UHFFFAOYSA-N 1 0 344.484 3.410 40 0 EGABRO Cc1cc(Cl)ccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000076329935 453989514 /nfs/dbraw/zinc/98/95/14/453989514.db2.gz FLWYAAQZEHSVJX-OAHLLOKOSA-N 1 0 339.867 3.007 40 0 EGABRO Clc1ccc(C2([NH2+]Cc3ccc(N4CCOCC4)nc3)CC2)cc1 ZINC000043286382 454053967 /nfs/dbraw/zinc/05/39/67/454053967.db2.gz NKAKHWMZSJLKEY-UHFFFAOYSA-N 1 0 343.858 3.351 40 0 EGABRO Cc1nc2sccn2c1CN(CCC[NH+](C)C)Cc1ccccn1 ZINC000057797212 454147302 /nfs/dbraw/zinc/14/73/02/454147302.db2.gz VHMWYVZJWOPQAI-UHFFFAOYSA-N 1 0 343.500 3.053 40 0 EGABRO CCn1c2ccccc2nc1[C@H](C)[NH2+]CCC(=O)N1CCC[C@H]1C ZINC000119403808 454193331 /nfs/dbraw/zinc/19/33/31/454193331.db2.gz VFKZVTPFEINILY-CABCVRRESA-N 1 0 328.460 3.108 40 0 EGABRO c1coc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)c1 ZINC000096039973 454266115 /nfs/dbraw/zinc/26/61/15/454266115.db2.gz PZFFVFBULXQDBU-RTBURBONSA-N 1 0 328.412 3.125 40 0 EGABRO Fc1ccc(C[N@@H+]2C[C@@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)cc1 ZINC000096042511 454268424 /nfs/dbraw/zinc/26/84/24/454268424.db2.gz JNRIQASLXWYYBN-AQNXPRMDSA-N 1 0 342.414 3.169 40 0 EGABRO Fc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047642 454270177 /nfs/dbraw/zinc/27/01/77/454270177.db2.gz VFYGVLVBNRIIJU-VQIMIIECSA-N 1 0 345.393 3.205 40 0 EGABRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4nccs4)C3)C2=O)c1 ZINC000096050567 454273035 /nfs/dbraw/zinc/27/30/35/454273035.db2.gz MBISJWLHZXUBSE-IBGZPJMESA-N 1 0 341.480 3.076 40 0 EGABRO Cc1nc(CN2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)cs1 ZINC000096053869 454274842 /nfs/dbraw/zinc/27/48/42/454274842.db2.gz KOGNKYBZULBAMP-HOTGVXAUSA-N 1 0 331.460 3.154 40 0 EGABRO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccs1)C2 ZINC000096058498 454276866 /nfs/dbraw/zinc/27/68/66/454276866.db2.gz XSVAPENLZWNIQM-BBRMVZONSA-N 1 0 330.428 3.234 40 0 EGABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)co1 ZINC000096065137 454279043 /nfs/dbraw/zinc/27/90/43/454279043.db2.gz LWRLQBVZLISGFY-VQTJNVASSA-N 1 0 342.439 3.263 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2CN(C(=O)C3CCCCC3)C[C@H]2C1 ZINC000096081451 454279426 /nfs/dbraw/zinc/27/94/26/454279426.db2.gz CDNPBMJEFFXOIG-ZWKOTPCHSA-N 1 0 345.487 3.152 40 0 EGABRO c1cc(CO[C@@H]2COC3(C2)CC[NH+](CC2CCCC2)CC3)ccn1 ZINC000096106861 454284218 /nfs/dbraw/zinc/28/42/18/454284218.db2.gz MASGZILQSSEUEI-IBGZPJMESA-N 1 0 330.472 3.412 40 0 EGABRO c1cc(C[NH+]2CCC3(C[C@@H](OCc4ccncc4)CO3)CC2)co1 ZINC000096106816 454284879 /nfs/dbraw/zinc/28/48/79/454284879.db2.gz XEQMLVJDMYHCRZ-GOSISDBHSA-N 1 0 328.412 3.015 40 0 EGABRO Cc1cc(Nc2ccccn2)nc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072360054 454294457 /nfs/dbraw/zinc/29/44/57/454294457.db2.gz KPQZNBOMGHAGRX-MRXNPFEDSA-N 1 0 339.443 3.240 40 0 EGABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc2ccc(Cl)cc2c1=O ZINC000072324639 454294959 /nfs/dbraw/zinc/29/49/59/454294959.db2.gz CLYIEFQKKICHAM-IUODEOHRSA-N 1 0 332.831 3.115 40 0 EGABRO c1csc(C[N@H+]2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC000096186159 454300222 /nfs/dbraw/zinc/30/02/22/454300222.db2.gz NUWAYRMGHUSRBV-WDSOQIARSA-N 1 0 344.480 3.482 40 0 EGABRO COCCO[C@@H]1CC[N@H+](Cc2csc(C)n2)[C@H]1Cc1ccccc1 ZINC000096200074 454302289 /nfs/dbraw/zinc/30/22/89/454302289.db2.gz ONUPKKHBLMAAQB-RBUKOAKNSA-N 1 0 346.496 3.300 40 0 EGABRO C[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(=O)c1cccs1)CC2 ZINC000096208207 454304201 /nfs/dbraw/zinc/30/42/01/454304201.db2.gz OSZQWHIPGHVDDK-INIZCTEOSA-N 1 0 348.512 3.101 40 0 EGABRO CC(C)[N@H+](C)C[C@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)CO1 ZINC000096224953 454309579 /nfs/dbraw/zinc/30/95/79/454309579.db2.gz MEKAHFGRVHXPER-LJQANCHMSA-N 1 0 344.499 3.428 40 0 EGABRO FC1(F)CC[N@H+](Cc2ccncc2)C[C@]12CCN(c1cccnc1)C2 ZINC000096239578 454309900 /nfs/dbraw/zinc/30/99/00/454309900.db2.gz CGPTZCOOEZDYAZ-SFHVURJKSA-N 1 0 344.409 3.214 40 0 EGABRO Cc1cccc(C(=O)N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)n1 ZINC000096242394 454311083 /nfs/dbraw/zinc/31/10/83/454311083.db2.gz ZLGYONXALPIIID-UHFFFAOYSA-N 1 0 335.451 3.009 40 0 EGABRO c1ccc2c(c1)C[N@@H+](CC1CC1)CC21CCN(c2cnccn2)CC1 ZINC000096242563 454311900 /nfs/dbraw/zinc/31/19/00/454311900.db2.gz ZPXDWYQIJLABKH-UHFFFAOYSA-N 1 0 334.467 3.240 40 0 EGABRO Cc1cncc(C(=O)N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)c1 ZINC000096242395 454311988 /nfs/dbraw/zinc/31/19/88/454311988.db2.gz CNEDSPHPVXARJD-UHFFFAOYSA-N 1 0 335.451 3.009 40 0 EGABRO COCC[NH+]1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 ZINC000096267261 454314364 /nfs/dbraw/zinc/31/43/64/454314364.db2.gz HTZAXXFLSYHHAC-UHFFFAOYSA-N 1 0 336.439 3.222 40 0 EGABRO c1csc(C[NH2+]C[C@H]2Cn3c(-c4ccccc4)cnc3CO2)c1 ZINC000096296451 454317423 /nfs/dbraw/zinc/31/74/23/454317423.db2.gz UWGKVTKOJWVIOB-HNNXBMFYSA-N 1 0 325.437 3.300 40 0 biogenic,in-vitro EGABRO O=c1[nH]c(CC[N@@H+](Cc2cccc(O)c2)CC2CC2)nc2ccccc21 ZINC000096405949 454324338 /nfs/dbraw/zinc/32/43/38/454324338.db2.gz VJSJSPJYLRVFEE-UHFFFAOYSA-N 1 0 349.434 3.083 40 0 EGABRO CC(C)c1nn(C)c(Cl)c1C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000096423590 454337681 /nfs/dbraw/zinc/33/76/81/454337681.db2.gz XRBVGEWNFAZWEN-CYBMUJFWSA-N 1 0 340.899 3.049 40 0 EGABRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1cccs1 ZINC000096432959 454343482 /nfs/dbraw/zinc/34/34/82/454343482.db2.gz SHCZGKCBHFTESB-KRWDZBQOSA-N 1 0 328.481 3.271 40 0 EGABRO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc(N3CCCC3)c2)CC[N@@H+]1C ZINC000096434433 454345589 /nfs/dbraw/zinc/34/55/89/454345589.db2.gz NAAWBLWANQAWPT-WMLDXEAASA-N 1 0 348.466 3.372 40 0 EGABRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1 ZINC000096479248 454363641 /nfs/dbraw/zinc/36/36/41/454363641.db2.gz ALAGLLHCBOENEU-GUYCJALGSA-N 1 0 342.418 3.109 40 0 EGABRO CS[C@@H](C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485945 454367028 /nfs/dbraw/zinc/36/70/28/454367028.db2.gz RFDGLBVFWXPHQO-JVLSTEMRSA-N 1 0 344.883 3.340 40 0 EGABRO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCc4nc(C)nn4C3)oc21 ZINC000096493383 454369983 /nfs/dbraw/zinc/36/99/83/454369983.db2.gz ZMXBBGGDQWLBON-IUODEOHRSA-N 1 0 340.427 3.397 40 0 EGABRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000096499571 454370621 /nfs/dbraw/zinc/37/06/21/454370621.db2.gz GJFKJVILRZEUME-DOMZBBRYSA-N 1 0 337.464 3.212 40 0 EGABRO OC[C@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000096497153 454370691 /nfs/dbraw/zinc/37/06/91/454370691.db2.gz FYTOSRYLOGUUKG-LBPRGKRZSA-N 1 0 335.245 3.202 40 0 EGABRO Clc1cc(Cl)cc(CN2CCC([NH2+]Cc3cc[nH]n3)CC2)c1 ZINC000096502328 454372638 /nfs/dbraw/zinc/37/26/38/454372638.db2.gz NIIHDZLXBGCFGW-UHFFFAOYSA-N 1 0 339.270 3.471 40 0 EGABRO COc1ccc(C)cc1C[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000048326071 454473967 /nfs/dbraw/zinc/47/39/67/454473967.db2.gz DKXGOOHMHZEKNW-UHFFFAOYSA-N 1 0 331.412 3.319 40 0 EGABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccco4)C3)o2)cc1 ZINC000049170112 454537191 /nfs/dbraw/zinc/53/71/91/454537191.db2.gz VANYECZHGYORLO-AWEZNQCLSA-N 1 0 325.368 3.328 40 0 biogenic,in-vitro EGABRO COCc1cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1OC ZINC000134789992 454589949 /nfs/dbraw/zinc/58/99/49/454589949.db2.gz SXBGCKHXZBMAAF-IVJVFBROSA-N 1 0 331.456 3.450 40 0 EGABRO O=C1N(CC2CCC2)CC[C@@]12CCC[N@H+](Cc1ccncc1)CC2 ZINC000108528585 454801330 /nfs/dbraw/zinc/80/13/30/454801330.db2.gz MRGNBDJYCHKBPJ-FQEVSTJZSA-N 1 0 327.472 3.086 40 0 EGABRO O=C(C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)NCc1ccccc1 ZINC000192051432 455549026 /nfs/dbraw/zinc/54/90/26/455549026.db2.gz MBMNNBCJRHSKAR-HKUYNNGSSA-N 1 0 344.842 3.076 40 0 EGABRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000247258004 455580177 /nfs/dbraw/zinc/58/01/77/455580177.db2.gz YYENXIUWGHCNDJ-MGPUTAFESA-N 1 0 345.437 3.403 40 0 EGABRO C[C@@H]1CCCCN1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000252478579 455807074 /nfs/dbraw/zinc/80/70/74/455807074.db2.gz APVCAUWQWWYFMX-MRXNPFEDSA-N 1 0 345.487 3.244 40 0 EGABRO Cc1nccnc1[C@H](C)[NH2+]C1CCN(Cc2ccccc2F)CC1 ZINC000252498532 455815223 /nfs/dbraw/zinc/81/52/23/455815223.db2.gz RECHJDNQKBOUMM-HNNXBMFYSA-N 1 0 328.435 3.239 40 0 EGABRO OCCn1nccc1C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000252511118 455818234 /nfs/dbraw/zinc/81/82/34/455818234.db2.gz ZULYPSGNGRTMHH-UHFFFAOYSA-N 1 0 337.533 3.121 40 0 EGABRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194424660 455840387 /nfs/dbraw/zinc/84/03/87/455840387.db2.gz FUCIXIUGVAQFGS-CQSZACIVSA-N 1 0 342.443 3.033 40 0 EGABRO Cc1cccc(Nc2nccnc2C2CCN(Cc3ncc[nH]3)CC2)n1 ZINC000257292993 455883973 /nfs/dbraw/zinc/88/39/73/455883973.db2.gz QNSKRORANKOCJX-UHFFFAOYSA-N 1 0 349.442 3.026 40 0 EGABRO COc1cc(CN2CCC[C@H]2c2nccc(C[NH+](C)C)n2)ccc1F ZINC000257302895 455886220 /nfs/dbraw/zinc/88/62/20/455886220.db2.gz SEWNADWCSYLPEY-KRWDZBQOSA-N 1 0 344.434 3.023 40 0 EGABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3cc(CC(C)C)no3)C2)c1 ZINC000257303471 455886266 /nfs/dbraw/zinc/88/62/66/455886266.db2.gz SHJKBRWNAUKYIC-CQSZACIVSA-N 1 0 342.443 3.248 40 0 EGABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257309343 455887506 /nfs/dbraw/zinc/88/75/06/455887506.db2.gz UAOVGCNHPINPIL-CYBMUJFWSA-N 1 0 340.456 3.011 40 0 EGABRO Cc1cccn2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@H+]4C)nc12 ZINC000257307159 455887552 /nfs/dbraw/zinc/88/75/52/455887552.db2.gz SXLMEDCWUIIEFI-PXNSSMCTSA-N 1 0 340.471 3.122 40 0 EGABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257309344 455888181 /nfs/dbraw/zinc/88/81/81/455888181.db2.gz UAOVGCNHPINPIL-ZDUSSCGKSA-N 1 0 340.456 3.011 40 0 EGABRO Cn1cc(C[NH+]2CCC3(CO[C@@H](Cc4ccccc4F)C3)CC2)cn1 ZINC000257327348 455892628 /nfs/dbraw/zinc/89/26/28/455892628.db2.gz XBAFGUCXRCJVTC-SFHVURJKSA-N 1 0 343.446 3.173 40 0 EGABRO Cn1nc(CC[NH2+][C@H](c2cccs2)c2ncc[nH]2)c2ccccc21 ZINC000195121130 455923612 /nfs/dbraw/zinc/92/36/12/455923612.db2.gz DPQQXGPWLHUCGP-QGZVFWFLSA-N 1 0 337.452 3.280 40 0 EGABRO CCC(=O)N1CC[C@H]([NH2+][C@H](CN2CCC(C)CC2)c2cccs2)C1 ZINC000195560748 455985127 /nfs/dbraw/zinc/98/51/27/455985127.db2.gz REECEDYQQWGGIK-DLBZAZTESA-N 1 0 349.544 3.122 40 0 EGABRO C[C@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000195574656 455987677 /nfs/dbraw/zinc/98/76/77/455987677.db2.gz OVBKRLBPLAVDNX-FRRDWIJNSA-N 1 0 349.456 3.074 40 0 EGABRO CCCN(C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000272565529 455995331 /nfs/dbraw/zinc/99/53/31/455995331.db2.gz SPZDANOFECWWNF-SJLPKXTDSA-N 1 0 329.488 3.481 40 0 EGABRO COCCc1ccc(Oc2ccc(NC(=O)[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000225472085 456085468 /nfs/dbraw/zinc/08/54/68/456085468.db2.gz ZCRCSWABTBMGIS-INIZCTEOSA-N 1 0 340.423 3.216 40 0 EGABRO CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc3nc(C)ccc3c2)CC1 ZINC000225481916 456087586 /nfs/dbraw/zinc/08/75/86/456087586.db2.gz UPTVHPAHYRGQQF-HNNXBMFYSA-N 1 0 325.456 3.280 40 0 EGABRO CC[N@H+]1CC=C(c2nn3c(nnc3-c3cccc(C)c3)s2)CC1 ZINC000226250246 456107310 /nfs/dbraw/zinc/10/73/10/456107310.db2.gz UCOQHGWHQRFBGR-UHFFFAOYSA-N 1 0 325.441 3.270 40 0 EGABRO c1coc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 ZINC000306142533 456566871 /nfs/dbraw/zinc/56/68/71/456566871.db2.gz XCFWTVFCTJHADM-GOSISDBHSA-N 1 0 341.436 3.380 40 0 EGABRO C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000306144663 456570287 /nfs/dbraw/zinc/57/02/87/456570287.db2.gz ZLKROWIWYVFQCQ-NOVWEMISSA-N 1 0 336.476 3.167 40 0 EGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)nn1 ZINC000283058213 456700314 /nfs/dbraw/zinc/70/03/14/456700314.db2.gz JIKBBHOWKRPQPF-ZDUSSCGKSA-N 1 0 344.484 3.200 40 0 EGABRO Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+]3C[C@H]3CCCO3)C2)c(C)c1 ZINC000585102048 459824094 /nfs/dbraw/zinc/82/40/94/459824094.db2.gz OPLGIKQLYLIBCZ-WIYYLYMNSA-N 1 0 342.483 3.163 40 0 EGABRO CC(C)CC[N@@H+]1C[C@@H]2CN(c3cc(C(F)(F)F)ncn3)CC[C@H]21 ZINC000585108047 459825080 /nfs/dbraw/zinc/82/50/80/459825080.db2.gz XULICNQAFYJWBC-CHWSQXEVSA-N 1 0 328.382 3.052 40 0 EGABRO COCC[N@@H+]1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2)CC1 ZINC000585113234 459826379 /nfs/dbraw/zinc/82/63/79/459826379.db2.gz OUKAIQQOWMPKJL-LJQANCHMSA-N 1 0 330.472 3.040 40 0 EGABRO FC(F)(F)c1ccc2ncc(-c3cncc([C@@H]4CCC[NH2+]C4)n3)n2c1 ZINC000585262916 459831988 /nfs/dbraw/zinc/83/19/88/459831988.db2.gz PEPWEWQXKPRZCF-LLVKDONJSA-N 1 0 347.344 3.277 40 0 EGABRO CC(C)n1nccc1C[N@@H+]1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 ZINC000585279873 459832378 /nfs/dbraw/zinc/83/23/78/459832378.db2.gz RTPNNQWCQOAERX-VQIMIIECSA-N 1 0 331.435 3.029 40 0 EGABRO CO[C@H]1CC[N@H+](Cc2c(C)n[nH]c2C)C[C@H]1Cc1ccccc1F ZINC000585275904 459832578 /nfs/dbraw/zinc/83/25/78/459832578.db2.gz GJZZOGDRZUWNAF-APWZRJJASA-N 1 0 331.435 3.245 40 0 EGABRO C[N@@H+]1CCCC[C@H](CNC(=O)NCc2cccc3ccsc32)C1 ZINC000624293407 460947403 /nfs/dbraw/zinc/94/74/03/460947403.db2.gz HYQKTPIWKACRIX-CQSZACIVSA-N 1 0 331.485 3.432 40 0 EGABRO CC(C)[NH2+]CC(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000659386675 461327065 /nfs/dbraw/zinc/32/70/65/461327065.db2.gz PZBVPGIFKRBGLH-HNNXBMFYSA-N 1 0 339.277 3.331 40 0 EGABRO Cc1ccc2cc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)ccc2n1 ZINC000187193453 534466770 /nfs/dbraw/zinc/46/67/70/534466770.db2.gz CCSPGGPLBMTPMO-GOSISDBHSA-N 1 0 347.466 3.461 40 0 EGABRO Cc1cccc(C[N@@H+]2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1 ZINC000019234950 524403056 /nfs/dbraw/zinc/40/30/56/524403056.db2.gz HXSYKEJYMWBQLF-MRXNPFEDSA-N 1 0 335.411 3.133 40 0 EGABRO CNc1cnc(C[C@@H]2CCC[N@H+](Cc3nccn3C(C)C)CC2)cn1 ZINC000257207229 536421385 /nfs/dbraw/zinc/42/13/85/536421385.db2.gz BGXXCFGLPBAYSS-MRXNPFEDSA-N 1 0 342.491 3.141 40 0 EGABRO c1cc(N2CCCC2)cn2nc([C@H]3CCC[N@@H+](C4CCC4)C3)nc12 ZINC000306127345 547460024 /nfs/dbraw/zinc/46/00/24/547460024.db2.gz FWKQIEPVSUOWGQ-HNNXBMFYSA-N 1 0 325.460 3.061 40 0 EGABRO Clc1ccc(CNc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228922978 575000031 /nfs/dbraw/zinc/00/00/31/575000031.db2.gz YAJCDCFIEZSOCN-UHFFFAOYSA-N 1 0 342.834 3.016 40 0 EGABRO COC[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000199419661 1296089086 /nfs/dbraw/zinc/08/90/86/1296089086.db2.gz FCZNIUKOJWSGOG-MRXNPFEDSA-N 1 0 340.467 3.203 40 0 EGABRO S=C(NCCC[NH+]1CCCCCC1)Nc1ccc2c(c1)OCCO2 ZINC000053579993 214189335 /nfs/dbraw/zinc/18/93/35/214189335.db2.gz VLGRVUMOBOKCQW-UHFFFAOYSA-N 1 0 349.500 3.010 40 0 EGABRO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102856 214272825 /nfs/dbraw/zinc/27/28/25/214272825.db2.gz ATSXHLWICJVRTQ-KXBFYZLASA-N 1 0 330.472 3.267 40 0 EGABRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000004280288 210161013 /nfs/dbraw/zinc/16/10/13/210161013.db2.gz USCUADQWCJEPOW-INIZCTEOSA-N 1 0 336.476 3.189 40 0 EGABRO C[C@@H](Oc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374721 213798202 /nfs/dbraw/zinc/79/82/02/213798202.db2.gz OVHOBKXJGLBIJH-QGZVFWFLSA-N 1 0 338.451 3.366 40 0 EGABRO COc1cc(/C=C/C(=O)NCCC[N@H+](C)C(C)C)ccc1OC(C)C ZINC000040090693 213262268 /nfs/dbraw/zinc/26/22/68/213262268.db2.gz ILTJSTKSDZLODO-PKNBQFBNSA-N 1 0 348.487 3.342 40 0 EGABRO COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@](O)(c3ccccn3)[C@@H]2C1 ZINC000036734777 213114992 /nfs/dbraw/zinc/11/49/92/213114992.db2.gz KEIJZPQCLZFUQA-YRISNDGFSA-N 1 0 338.451 3.128 40 0 EGABRO O=C(CC[N@@H+]1CCSC2(CCOCC2)C1)c1ccc(F)cc1F ZINC000187566068 236247978 /nfs/dbraw/zinc/24/79/78/236247978.db2.gz HLHLUNXQQCDKTI-UHFFFAOYSA-N 1 0 341.423 3.136 40 0 EGABRO COCCC(=O)N1CCC([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000188244299 236487913 /nfs/dbraw/zinc/48/79/13/236487913.db2.gz QJYCRVYEHRYOHW-TZIWHRDSSA-N 1 0 344.499 3.114 40 0 EGABRO CCc1ccccc1O[C@@H](C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000030866204 212714068 /nfs/dbraw/zinc/71/40/68/212714068.db2.gz VASPMUPOLHUTJS-KRWDZBQOSA-N 1 0 332.488 3.399 40 0 EGABRO CN(Cc1ccccc1)C(=O)c1cncc(C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000072369296 216176112 /nfs/dbraw/zinc/17/61/12/216176112.db2.gz HMRMMQMCTRRBNT-SFHVURJKSA-N 1 0 337.467 3.238 40 0 EGABRO Cc1ccc(C[NH+]2CCC(c3cccc(CCC(N)=O)n3)CC2)cc1 ZINC000072367116 216173266 /nfs/dbraw/zinc/17/32/66/216173266.db2.gz WQUBNOJWWVCNLF-UHFFFAOYSA-N 1 0 337.467 3.188 40 0 EGABRO Cc1cc(CCC(=O)Nc2ncccc2C)cc([C@@H]2CCC[N@H+]2C)n1 ZINC000072366965 216173433 /nfs/dbraw/zinc/17/34/33/216173433.db2.gz CJOONPBNDULMMY-SFHVURJKSA-N 1 0 338.455 3.431 40 0 EGABRO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CC[N@@H+](C(C)C)C3)n2)n1 ZINC000072382389 216182687 /nfs/dbraw/zinc/18/26/87/216182687.db2.gz XXIVXUJICBYFMZ-OAHLLOKOSA-N 1 0 326.448 3.133 40 0 EGABRO CN(C)[C@@H]1C[N@H+](Cc2ccc(O)cc2)C[C@H]1c1cn(C)c2ccccc12 ZINC000072395132 216192711 /nfs/dbraw/zinc/19/27/11/216192711.db2.gz RCTJOKCVNHTLBF-RBBKRZOGSA-N 1 0 349.478 3.414 40 0 EGABRO C[NH+](C)C[C@H]1CCN(C(=O)NCC(C)(C)c2ccccc2Cl)C1 ZINC000129877757 223100433 /nfs/dbraw/zinc/10/04/33/223100433.db2.gz MDGFQLCTQRPXRX-CQSZACIVSA-N 1 0 337.895 3.211 40 0 EGABRO O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1ccc2[nH]ccc2c1 ZINC000072859397 216318819 /nfs/dbraw/zinc/31/88/19/216318819.db2.gz HLIACPINJZRVTC-UHFFFAOYSA-N 1 0 327.428 3.142 40 0 EGABRO CCc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000072921761 216328646 /nfs/dbraw/zinc/32/86/46/216328646.db2.gz SOGLEOVOLYPRLG-HNNXBMFYSA-N 1 0 333.453 3.033 40 0 EGABRO CCn1cncc1CN(Cc1cccs1)C[C@@H]1CCC[N@@H+]1CC ZINC000023247886 212363567 /nfs/dbraw/zinc/36/35/67/212363567.db2.gz YPQOSTXSFYRXDM-INIZCTEOSA-N 1 0 332.517 3.451 40 0 EGABRO COCC[NH+]1CCC(CNC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000023127941 212352582 /nfs/dbraw/zinc/35/25/82/212352582.db2.gz PRSVYVATIBVLLZ-UHFFFAOYSA-N 1 0 332.488 3.072 40 0 EGABRO C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1nccs1 ZINC000195564744 241012529 /nfs/dbraw/zinc/01/25/29/241012529.db2.gz GFABNTBMLOOSDT-OFQRWUPVSA-N 1 0 344.484 3.024 40 0 EGABRO Cc1ccc(CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cn1 ZINC000225791055 242039104 /nfs/dbraw/zinc/03/91/04/242039104.db2.gz BFCWYKOLRLIJTG-KRWDZBQOSA-N 1 0 331.847 3.005 40 0 EGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc3c(c2)OCO3)C1 ZINC000225727814 242006718 /nfs/dbraw/zinc/00/67/18/242006718.db2.gz BMVVCMCAWLIHMB-ZIAGYGMSSA-N 1 0 349.500 3.070 40 0 EGABRO C[N@@H+]1C[C@H](CNC(=O)Nc2cccc(F)c2)[C@H](c2cccs2)C1 ZINC000230134436 242237574 /nfs/dbraw/zinc/23/75/74/242237574.db2.gz FVTHARXFFOEOLI-SWLSCSKDSA-N 1 0 333.432 3.354 40 0 EGABRO CS[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245339211 243102693 /nfs/dbraw/zinc/10/26/93/243102693.db2.gz RFDGLBVFWXPHQO-GMXABZIVSA-N 1 0 344.883 3.340 40 0 EGABRO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)nc1 ZINC000257206134 244134478 /nfs/dbraw/zinc/13/44/78/244134478.db2.gz BCAFZROKBGMOOM-INIZCTEOSA-N 1 0 337.427 3.456 40 0 EGABRO Cc1nc([C@H]2CCC[NH2+]C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000257201591 244122099 /nfs/dbraw/zinc/12/20/99/244122099.db2.gz AIGFKIXNPQCMSI-INIZCTEOSA-N 1 0 342.487 3.112 40 0 EGABRO c1ccc(CO[C@H]2CC[N@H+](Cc3ccccn3)C[C@@]23CCCO3)cc1 ZINC000257229401 244207400 /nfs/dbraw/zinc/20/74/00/244207400.db2.gz FXYTXKMSWQONPV-SFTDATJTSA-N 1 0 338.451 3.422 40 0 EGABRO Cc1ccsc1C(=O)N1CC[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257230427 244209352 /nfs/dbraw/zinc/20/93/52/244209352.db2.gz GCGRFKGHBQZANS-AWEZNQCLSA-N 1 0 329.469 3.456 40 0 EGABRO O=C(Cc1cccnc1)N1[C@H](c2ccccc2)C[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257269080 244370313 /nfs/dbraw/zinc/37/03/13/244370313.db2.gz MOMDFRSBQDAOQQ-AABGKKOBSA-N 1 0 335.451 3.108 40 0 EGABRO Cc1cccc2nc(C(=O)N3CCCC[C@@H]4[N@H+](C)CCC[C@@]43C)cn21 ZINC000257263929 244354594 /nfs/dbraw/zinc/35/45/94/244354594.db2.gz LSCHUZNLPIKQJX-PXNSSMCTSA-N 1 0 340.471 3.122 40 0 EGABRO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccccc3)C2)no1)N1CCCC1 ZINC000019371968 212022705 /nfs/dbraw/zinc/02/27/05/212022705.db2.gz RKDCRMBGEAYESI-KRWDZBQOSA-N 1 0 339.439 3.290 40 0 EGABRO Cn1nc([C@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)c2nccnc21 ZINC000019289389 212011791 /nfs/dbraw/zinc/01/17/91/212011791.db2.gz NGWSPPBADLPJNP-ZDUSSCGKSA-N 1 0 343.381 3.021 40 0 EGABRO Cn1cccc1C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019291130 212011481 /nfs/dbraw/zinc/01/14/81/212011481.db2.gz QXPFQSGTSSMXDE-OAHLLOKOSA-N 1 0 345.830 3.424 40 0 EGABRO CC1(C)Cc2cc(C[NH2+]Cc3ccc(-n4cccn4)nc3)ccc2O1 ZINC000078552312 217074112 /nfs/dbraw/zinc/07/41/12/217074112.db2.gz QPOINDQUBAGHNH-UHFFFAOYSA-N 1 0 334.423 3.271 40 0 EGABRO CC(C)[N@H+](C)CCNC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000078605017 217086073 /nfs/dbraw/zinc/08/60/73/217086073.db2.gz ZWPGBFKUCMTQRZ-GFCCVEGCSA-N 1 0 326.510 3.141 40 0 EGABRO CC(=O)Nc1ccc(C(=O)Nc2c[nH+]ccc2N2CCCCC2)cc1 ZINC000079041158 217180089 /nfs/dbraw/zinc/18/00/89/217180089.db2.gz WLHCZCXSINVZOC-UHFFFAOYSA-N 1 0 338.411 3.283 40 0 EGABRO COc1ccc(C)cc1CC(=O)N1CCCC[C@H]1C[NH+]1CCCCC1 ZINC000012360949 211356139 /nfs/dbraw/zinc/35/61/39/211356139.db2.gz IMIIOCGTCXOLLC-IBGZPJMESA-N 1 0 344.499 3.413 40 0 EGABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000012362726 211355524 /nfs/dbraw/zinc/35/55/24/211355524.db2.gz YYVVTPHSQAPNKX-HNNXBMFYSA-N 1 0 331.435 3.149 40 0 EGABRO CCn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)c(C)n1 ZINC000012325246 211349992 /nfs/dbraw/zinc/34/99/92/211349992.db2.gz OFEUCGCZESCXQV-YOFSQIOKSA-N 1 0 343.446 3.365 40 0 EGABRO COc1ccc([C@@H](O)C[NH+]2CCC(O)(c3cccc(C)c3)CC2)cc1 ZINC000012292495 211335253 /nfs/dbraw/zinc/33/52/53/211335253.db2.gz VZCNBHFQKGKKCE-FQEVSTJZSA-N 1 0 341.451 3.021 40 0 EGABRO CCn1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)c1C ZINC000012276754 211333288 /nfs/dbraw/zinc/33/32/88/211333288.db2.gz XYYIWYBBVJVDID-XEWABKELSA-N 1 0 343.446 3.365 40 0 EGABRO OC1(c2ccccn2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccccc1F)C2 ZINC000012135050 211301428 /nfs/dbraw/zinc/30/14/28/211301428.db2.gz KBHIDDWWSMMULC-XEWABKELSA-N 1 0 326.415 3.340 40 0 EGABRO COc1ccccc1C[N@@H+]1CCC[C@@H](n2c3ccccc3oc2=O)C1 ZINC000012119111 211298325 /nfs/dbraw/zinc/29/83/25/211298325.db2.gz RWLFNUALUYGTKC-MRXNPFEDSA-N 1 0 338.407 3.440 40 0 EGABRO C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@@H]1CCOC1 ZINC000093840202 218252453 /nfs/dbraw/zinc/25/24/53/218252453.db2.gz AJMFJUWBZORUFA-LBPRGKRZSA-N 1 0 338.245 3.193 40 0 EGABRO COc1cccc(/C=C/CCN2CCC[N@@H+](C3CCOCC3)CC2)c1 ZINC000095408329 218344492 /nfs/dbraw/zinc/34/44/92/218344492.db2.gz IKVIOMKCSKSXIR-QHHAFSJGSA-N 1 0 344.499 3.285 40 0 EGABRO c1ccc(C2([NH2+]Cc3ccc(N4CCCC4)nc3)CCOCC2)cc1 ZINC000095412262 218349984 /nfs/dbraw/zinc/34/99/84/218349984.db2.gz QNHIOGLFDKWVBZ-UHFFFAOYSA-N 1 0 337.467 3.477 40 0 EGABRO CCS(=O)(=O)CC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000095421754 218364075 /nfs/dbraw/zinc/36/40/75/218364075.db2.gz HAGURDXBDWGRKR-CYBMUJFWSA-N 1 0 333.906 3.291 40 0 EGABRO COC(=O)c1ccc(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)o1 ZINC000095450312 218394893 /nfs/dbraw/zinc/39/48/93/218394893.db2.gz ZVTQISUWEKDATB-UHFFFAOYSA-N 1 0 342.395 3.290 40 0 EGABRO CC[N@@H+]1CC[C@@H](SC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000005047899 210373817 /nfs/dbraw/zinc/37/38/17/210373817.db2.gz CRAZPPVOJPYVLH-GOSISDBHSA-N 1 0 341.476 3.277 40 0 EGABRO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000236652152 266210646 /nfs/dbraw/zinc/21/06/46/266210646.db2.gz SDNRIAXENXTWCM-INIZCTEOSA-N 1 0 336.863 3.135 40 0 EGABRO c1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2cnc3ccccc3c2)COC1 ZINC000096112705 275071639 /nfs/dbraw/zinc/07/16/39/275071639.db2.gz HQDSKNMUHCZHSO-KRWDZBQOSA-N 1 0 344.418 3.446 40 0 biogenic,in-vitro EGABRO Cc1csc([C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C2CC2)n1 ZINC000074667072 293062312 /nfs/dbraw/zinc/06/23/12/293062312.db2.gz CBQHJYSJRUVNLC-HZPDHXFCSA-N 1 0 348.516 3.172 40 0 EGABRO COc1ccc2c(c1OC)[C@@]1(CC[NH+](C)C)CC(=O)CC[C@@H]1C=C2 ZINC000001560174 295277837 /nfs/dbraw/zinc/27/78/37/295277837.db2.gz ZZYRTKUDKQIIKW-YWZLYKJASA-N 1 0 329.440 3.289 40 0 EGABRO COc1ccc2c(c1OC)[C@]1(CC[NH+](C)C)C[C@H](O)CC[C@@H]1C=C2 ZINC000005120736 295277875 /nfs/dbraw/zinc/27/78/75/295277875.db2.gz DZSOVMFSBOCQJV-RZQQEMMASA-N 1 0 331.456 3.081 40 0 EGABRO Cc1cc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)ccn1 ZINC000179823983 301353525 /nfs/dbraw/zinc/35/35/25/301353525.db2.gz UDBDNLUXCOQJEA-UHFFFAOYSA-N 1 0 338.455 3.348 40 0 EGABRO Cc1ccccc1[N+]1=C2SCCCN2C[C@@]1(O)c1ccc(F)cc1 ZINC000003227041 302104373 /nfs/dbraw/zinc/10/43/73/302104373.db2.gz HTJOXBZLFXWOEU-LJQANCHMSA-N 1 0 343.447 3.305 40 0 EGABRO Cn1cc(C[C@H]2CC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)cn1 ZINC000097230919 323215162 /nfs/dbraw/zinc/21/51/62/323215162.db2.gz IPSZZWAWAUJVDK-CYBMUJFWSA-N 1 0 341.484 3.071 40 0 EGABRO C[C@@H]1CC(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000165469592 323223988 /nfs/dbraw/zinc/22/39/88/323223988.db2.gz DXQZRQAIMCHDDH-IAGOWNOFSA-N 1 0 344.499 3.361 40 0 EGABRO CCN1CC[C@@H]([NH2+]Cc2ccn(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241515643 455268745 /nfs/dbraw/zinc/26/87/45/455268745.db2.gz OGSFPYBSIPRHBB-IAGOWNOFSA-N 1 0 336.842 3.138 40 0 EGABRO COc1cc([C@H]([NH3+])CCc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000006483680 452947335 /nfs/dbraw/zinc/94/73/35/452947335.db2.gz JDVJPHFAXZLSNL-CQSZACIVSA-N 1 0 345.395 3.074 40 0 EGABRO CC1CC[NH+](CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000007924924 453133938 /nfs/dbraw/zinc/13/39/38/453133938.db2.gz LSEVBWWUWPFOFM-UHFFFAOYSA-N 1 0 339.277 3.301 40 0 EGABRO Cc1cccc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000008011848 453148585 /nfs/dbraw/zinc/14/85/85/453148585.db2.gz IKZDGFSWZVBRTD-UHFFFAOYSA-N 1 0 338.451 3.286 40 0 EGABRO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000010111311 453275523 /nfs/dbraw/zinc/27/55/23/453275523.db2.gz PLSGWKOXZQKZPW-OAHLLOKOSA-N 1 0 338.879 3.490 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000019210226 453654953 /nfs/dbraw/zinc/65/49/53/453654953.db2.gz BAQGOMLNFKFLGJ-OAQYLSRUSA-N 1 0 336.435 3.152 40 0 EGABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@@H+]2Cc1ccncc1 ZINC000019712621 453658232 /nfs/dbraw/zinc/65/82/32/453658232.db2.gz XFFMVMUDVZJKOL-ZVDOUQERSA-N 1 0 335.451 3.108 40 0 EGABRO C[NH+](C)C1(CNC(=O)c2cc(-c3ccccc3)n[nH]2)CCCCCC1 ZINC000025443749 453772746 /nfs/dbraw/zinc/77/27/46/453772746.db2.gz FTTPFSPCBOYVAR-UHFFFAOYSA-N 1 0 340.471 3.461 40 0 EGABRO COc1cc(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1 ZINC000029787966 453831476 /nfs/dbraw/zinc/83/14/76/453831476.db2.gz VTHFEJUULKFFIW-UHFFFAOYSA-N 1 0 348.487 3.062 40 0 EGABRO O=C(CC[N@H+]1CCC[C@H]1CCCO)Nc1cccc(C(F)(F)F)c1 ZINC000083173956 453941509 /nfs/dbraw/zinc/94/15/09/453941509.db2.gz ZMIDOHWKYVFNRZ-HNNXBMFYSA-N 1 0 344.377 3.271 40 0 EGABRO Cc1cccc([C@@H]2CCCC[N@@H+]2CC(=O)NC2CCOCC2)c1C ZINC000075999864 453947793 /nfs/dbraw/zinc/94/77/93/453947793.db2.gz UKRJXVTXFQYQLS-IBGZPJMESA-N 1 0 330.472 3.126 40 0 EGABRO CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cc(F)ccc1F ZINC000077873295 454164930 /nfs/dbraw/zinc/16/49/30/454164930.db2.gz XESIRCUUUJEKJY-WMLDXEAASA-N 1 0 337.414 3.296 40 0 EGABRO O=C1CCOC[C@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2Cc1ccccc1 ZINC000095951718 454236213 /nfs/dbraw/zinc/23/62/13/454236213.db2.gz IBYGCEXYWLDSTD-ZJOUEHCJSA-N 1 0 339.410 3.399 40 0 EGABRO O=C1CCOC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2Cc1ccccc1 ZINC000095951719 454236545 /nfs/dbraw/zinc/23/65/45/454236545.db2.gz IBYGCEXYWLDSTD-ZVDOUQERSA-N 1 0 339.410 3.399 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)s1 ZINC000096047153 454269437 /nfs/dbraw/zinc/26/94/37/454269437.db2.gz QPHAXXMFGXZOMX-GOSISDBHSA-N 1 0 328.485 3.339 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncc(F)cn2)C3)s1 ZINC000096047180 454269594 /nfs/dbraw/zinc/26/95/94/454269594.db2.gz UTUSWPOXYLWIRB-SFHVURJKSA-N 1 0 346.475 3.478 40 0 EGABRO CC(C)NC(=O)C[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048160 454271737 /nfs/dbraw/zinc/27/17/37/454271737.db2.gz UQXOIHZQJJYHQI-MRXNPFEDSA-N 1 0 336.501 3.034 40 0 EGABRO c1csc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC000096048234 454271744 /nfs/dbraw/zinc/27/17/44/454271744.db2.gz OWTUZEKXYHYKHL-AEFFLSMTSA-N 1 0 330.453 3.346 40 0 EGABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096052729 454272263 /nfs/dbraw/zinc/27/22/63/454272263.db2.gz VXEMJTOFDHTGMX-QGZVFWFLSA-N 1 0 326.484 3.396 40 0 EGABRO O=C(c1ccsc1)N1C[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053886 454274942 /nfs/dbraw/zinc/27/49/42/454274942.db2.gz RWWHNULFKJKZRA-HOTGVXAUSA-N 1 0 330.428 3.091 40 0 EGABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)co1 ZINC000096065147 454278083 /nfs/dbraw/zinc/27/80/83/454278083.db2.gz QUVPMDXGNAYNCP-WOJBJXKFSA-N 1 0 342.439 3.263 40 0 EGABRO FC(F)(F)CC[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC000096073222 454280041 /nfs/dbraw/zinc/28/00/41/454280041.db2.gz FWJICMPWWBQFFB-CQSZACIVSA-N 1 0 330.350 3.036 40 0 EGABRO c1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cc1 ZINC000096106751 454284797 /nfs/dbraw/zinc/28/47/97/454284797.db2.gz RJBFTYGMWHVDIW-HXUWFJFHSA-N 1 0 338.451 3.422 40 0 EGABRO c1cc(C[N@H+]2CC[C@H]3OCC[C@@]3(COCc3cccnc3)C2)cs1 ZINC000096110395 454286264 /nfs/dbraw/zinc/28/62/64/454286264.db2.gz FWAMKXALOIVAQZ-MOPGFXCFSA-N 1 0 344.480 3.341 40 0 EGABRO CN(Cc1ccc(Br)s1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000096402468 454321308 /nfs/dbraw/zinc/32/13/08/454321308.db2.gz HSUPHZZGUCOKNM-CYBMUJFWSA-N 1 0 339.258 3.169 40 0 EGABRO CC(C)[N@@H+]1[C@H](CN2CCCC2)C[C@@H]2CN(Cc3ccoc3)CC[C@@H]21 ZINC000096185592 454300153 /nfs/dbraw/zinc/30/01/53/454300153.db2.gz BMPPEKBDOZYNHO-AABGKKOBSA-N 1 0 331.504 3.049 40 0 EGABRO O=C1C[C@H](c2ccccc2)C2(CC[NH+](Cc3cccs3)CC2)N1 ZINC000096199580 454301986 /nfs/dbraw/zinc/30/19/86/454301986.db2.gz NMZIDTQDQVYXCI-QGZVFWFLSA-N 1 0 326.465 3.386 40 0 EGABRO CCOC[C@H]1CCC2(CCN(Cc3cc(C)on3)CC2)[N@@H+]1CC1CC1 ZINC000096207773 454304063 /nfs/dbraw/zinc/30/40/63/454304063.db2.gz WADFZBPCSQZGBN-LJQANCHMSA-N 1 0 347.503 3.229 40 0 EGABRO CC[N@@H+]1C[C@H](COC)[C@]2(CCN(Cc3ccc4ccccc4n3)C2)C1 ZINC000096220192 454307380 /nfs/dbraw/zinc/30/73/80/454307380.db2.gz POZAFCPGXNVRHJ-WIYYLYMNSA-N 1 0 339.483 3.025 40 0 EGABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CC12CCN(Cc1nccs1)CC2 ZINC000096238318 454310105 /nfs/dbraw/zinc/31/01/05/454310105.db2.gz YFOJHPXRILZTBA-KRWDZBQOSA-N 1 0 342.512 3.272 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)o1 ZINC000096244833 454310997 /nfs/dbraw/zinc/31/09/97/454310997.db2.gz CEFVYXYBTXNHLX-OAQYLSRUSA-N 1 0 336.435 3.488 40 0 EGABRO C[NH+]1CCC2(CC1)CN(C(=O)NC1CCCC1)Cc1ccccc12 ZINC000096242404 454311109 /nfs/dbraw/zinc/31/11/09/454311109.db2.gz WOBUCNQEPIJHQY-UHFFFAOYSA-N 1 0 327.472 3.118 40 0 EGABRO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(C(=O)c1ccsc1)CC2 ZINC000096240309 454311486 /nfs/dbraw/zinc/31/14/86/454311486.db2.gz PQTPIZNALQWNTO-MRXNPFEDSA-N 1 0 336.501 3.100 40 0 EGABRO Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1Cl ZINC000096418500 454334516 /nfs/dbraw/zinc/33/45/16/454334516.db2.gz KIEHLMRZZMRART-UHFFFAOYSA-N 1 0 345.830 3.061 40 0 EGABRO CC[N@@H+]1CCCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)CC1 ZINC000096426459 454339418 /nfs/dbraw/zinc/33/94/18/454339418.db2.gz AGCRRWPSFMAPGT-UHFFFAOYSA-N 1 0 345.487 3.147 40 0 EGABRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccnc(Cl)c1 ZINC000096432967 454343171 /nfs/dbraw/zinc/34/31/71/454343171.db2.gz FLVYHXOOYNCOTP-INIZCTEOSA-N 1 0 343.858 3.329 40 0 EGABRO Cc1csc(N2CCC([NH2+]C[C@](C)(O)c3ccc(F)cc3)CC2)n1 ZINC000090891105 454349101 /nfs/dbraw/zinc/34/91/01/454349101.db2.gz YKDBVFXKEQMLFS-SFHVURJKSA-N 1 0 349.475 3.057 40 0 EGABRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)cn1 ZINC000090919066 454350011 /nfs/dbraw/zinc/35/00/11/454350011.db2.gz HZOMAHKZUGFRKN-APWZRJJASA-N 1 0 340.471 3.306 40 0 EGABRO CC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccncc3Cl)C2)CC1 ZINC000096445728 454352639 /nfs/dbraw/zinc/35/26/39/454352639.db2.gz XBFRQIYYLOXVQW-INIZCTEOSA-N 1 0 335.879 3.206 40 0 EGABRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3sc(C)nc3C)C2)c1 ZINC000096449341 454355390 /nfs/dbraw/zinc/35/53/90/454355390.db2.gz HRPQNBSEGPWDTB-CQSZACIVSA-N 1 0 347.484 3.146 40 0 EGABRO C[C@@H](Sc1ccccn1)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000096461104 454359663 /nfs/dbraw/zinc/35/96/63/454359663.db2.gz YINHQZOOPVGNOS-CVEARBPZSA-N 1 0 333.501 3.039 40 0 EGABRO CC1(C)Cc2occc2[C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000096477957 454363601 /nfs/dbraw/zinc/36/36/01/454363601.db2.gz FBLWURCRERIRCJ-QAPCUYQASA-N 1 0 332.488 3.384 40 0 EGABRO C[C@H]([NH2+]CCOC1CCCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000096477932 454364405 /nfs/dbraw/zinc/36/44/05/454364405.db2.gz AWIAJLNVNYFFHQ-HNNXBMFYSA-N 1 0 339.501 3.480 40 0 EGABRO COc1cccc2cc([C@H](C)[NH2+]CC3(N(C)C)CCOCC3)oc21 ZINC000096493399 454369929 /nfs/dbraw/zinc/36/99/29/454369929.db2.gz LBNNYCLDXONESS-AWEZNQCLSA-N 1 0 332.444 3.203 40 0 EGABRO Cc1cnccc1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000121311919 454420603 /nfs/dbraw/zinc/42/06/03/454420603.db2.gz AJHSPVGOOBBCNX-UHFFFAOYSA-N 1 0 338.455 3.348 40 0 EGABRO C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)c1cccc(-n2cnnn2)c1 ZINC000097228460 454427015 /nfs/dbraw/zinc/42/70/15/454427015.db2.gz ATDGQHULFSDCMA-OAHLLOKOSA-N 1 0 349.438 3.302 40 0 EGABRO CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccc(-c3cncnc3)nc2)no1 ZINC000049155336 454535782 /nfs/dbraw/zinc/53/57/82/454535782.db2.gz JLLLNANEFVHJKR-INIZCTEOSA-N 1 0 336.399 3.134 40 0 biogenic,in-vitro EGABRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)on1 ZINC000065514740 454580582 /nfs/dbraw/zinc/58/05/82/454580582.db2.gz DHQQBDVVVQGSMT-SFHVURJKSA-N 1 0 347.418 3.346 40 0 EGABRO Cc1n[nH]cc1C[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136194328 454727278 /nfs/dbraw/zinc/72/72/78/454727278.db2.gz FVAPJLLPGVGGRR-CXAGYDPISA-N 1 0 336.842 3.293 40 0 EGABRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2nccs2)[C@H]1c1cccs1 ZINC000110633416 454850575 /nfs/dbraw/zinc/85/05/75/454850575.db2.gz AKUGBXNTCMXDRE-AAEUAGOBSA-N 1 0 336.486 3.409 40 0 EGABRO COc1ccc(OC(F)F)c(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000151310958 454966811 /nfs/dbraw/zinc/96/68/11/454966811.db2.gz OJZOBCUZEZSERW-LLVKDONJSA-N 1 0 342.386 3.261 40 0 EGABRO Cc1cc(N2CCC(CNC(=O)c3ccc(F)cc3F)CC2)cc[nH+]1 ZINC000245187602 455278879 /nfs/dbraw/zinc/27/88/79/455278879.db2.gz ZQFXFORLZKAGCC-UHFFFAOYSA-N 1 0 345.393 3.315 40 0 EGABRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(F)cc1F ZINC000245289754 455281914 /nfs/dbraw/zinc/28/19/14/455281914.db2.gz DWTLJCHKNYFOKD-HFBAOOFYSA-N 1 0 331.428 3.014 40 0 EGABRO Cc1occc1CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245638709 455345511 /nfs/dbraw/zinc/34/55/11/455345511.db2.gz KASYQRUZOWDAJO-MSOLQXFVSA-N 1 0 327.428 3.175 40 0 EGABRO COC[C@@H]1CN(C(C)=O)CC12CC[NH+](Cc1cc(C)cc(C)c1)CC2 ZINC000247827248 455649096 /nfs/dbraw/zinc/64/90/96/455649096.db2.gz GEBZQVVDQDTELO-FQEVSTJZSA-N 1 0 344.499 3.010 40 0 EGABRO O[C@]1(c2cccnc2)CCC[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC000247849426 455649332 /nfs/dbraw/zinc/64/93/32/455649332.db2.gz GCEVUISTTAMAGY-MDYRTPRTSA-N 1 0 344.405 3.480 40 0 EGABRO O=C(CC1=CCCCC1)N1Cc2ccnn2[C@@H](C[NH+]2CCCCC2)C1 ZINC000247868301 455651009 /nfs/dbraw/zinc/65/10/09/455651009.db2.gz PMONBFPTVAELND-IBGZPJMESA-N 1 0 342.487 3.143 40 0 EGABRO O=C1N[C@]2(CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)Nc2ccccc21 ZINC000247960020 455660315 /nfs/dbraw/zinc/66/03/15/455660315.db2.gz PURXELHQIVUYIF-BLIXFSHQSA-N 1 0 333.435 3.080 40 0 EGABRO CO[C@@H]1CC[C@H]2N(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@]2(C)C1 ZINC000257214509 455879645 /nfs/dbraw/zinc/87/96/45/455879645.db2.gz CMFQPBTWWCTBQB-GGPKGHCWSA-N 1 0 330.472 3.168 40 0 EGABRO C[C@]12C[C@@H](c3ccccc3F)[N@@H+](C3CCOCC3)[C@H]1CCCC(=O)N2 ZINC000257289069 455884035 /nfs/dbraw/zinc/88/40/35/455884035.db2.gz PWVXTLVFAZIYMO-BJLQDIEVSA-N 1 0 346.446 3.179 40 0 EGABRO CN(C)c1cccc(CC[C@@H]2CCCC[N@@H+]2CC2CCOCC2)n1 ZINC000257331539 455893365 /nfs/dbraw/zinc/89/33/65/455893365.db2.gz XTHVAPRFRNQDKH-IBGZPJMESA-N 1 0 331.504 3.361 40 0 EGABRO Fc1ccc(C[NH+]2CCC3(CO[C@@H](Cc4cnccn4)C3)CC2)cc1 ZINC000257327420 455893463 /nfs/dbraw/zinc/89/34/63/455893463.db2.gz XBGKCMBFQAWWBO-IBGZPJMESA-N 1 0 341.430 3.230 40 0 EGABRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195201093 455932694 /nfs/dbraw/zinc/93/26/94/455932694.db2.gz YHYRPFNDRBNAGN-SCLBCKFNSA-N 1 0 336.480 3.026 40 0 EGABRO CCOc1ccc(C(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OCC ZINC000225064952 456073090 /nfs/dbraw/zinc/07/30/90/456073090.db2.gz WSMFIQVWROSOMM-HOTGVXAUSA-N 1 0 348.487 3.192 40 0 EGABRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccnc(NC)c1 ZINC000225556721 456092618 /nfs/dbraw/zinc/09/26/18/456092618.db2.gz HPPPTSTYDBYWSP-UHFFFAOYSA-N 1 0 342.443 3.096 40 0 EGABRO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)Nc1ccccc1F ZINC000225576511 456095312 /nfs/dbraw/zinc/09/53/12/456095312.db2.gz ZAVCRFXEVYOJJZ-AWEZNQCLSA-N 1 0 337.464 3.165 40 0 EGABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225611177 456098696 /nfs/dbraw/zinc/09/86/96/456098696.db2.gz XPYCWHQHEQHOKU-LJQANCHMSA-N 1 0 334.460 3.305 40 0 EGABRO CO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000225643613 456099831 /nfs/dbraw/zinc/09/98/31/456099831.db2.gz MSLBTDXIAQYLTG-FQEVSTJZSA-N 1 0 346.471 3.305 40 0 EGABRO c1csc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)c1 ZINC000585105543 459825283 /nfs/dbraw/zinc/82/52/83/459825283.db2.gz ZGCSTKHHPRKPCC-OAHLLOKOSA-N 1 0 332.494 3.420 40 0 EGABRO Cc1cc(C)cc(C(=O)N2CC[C@H]3C[N@H+](Cc4cccnc4)C[C@H]32)c1 ZINC000585107636 459825292 /nfs/dbraw/zinc/82/52/92/459825292.db2.gz BVOBNCZWKLZVHS-AZUAARDMSA-N 1 0 335.451 3.045 40 0 EGABRO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]21 ZINC000585109700 459825471 /nfs/dbraw/zinc/82/54/71/459825471.db2.gz JAAUNCDEYGZFIW-IRFCIJBXSA-N 1 0 342.483 3.100 40 0 EGABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cnc3ccccc3c2)cc1 ZINC000585182285 459831493 /nfs/dbraw/zinc/83/14/93/459831493.db2.gz QUPZIZZFZSEQFX-FQEVSTJZSA-N 1 0 347.418 3.030 40 0 EGABRO COc1ccccc1C[NH2+][C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289582 459833551 /nfs/dbraw/zinc/83/35/51/459833551.db2.gz RVQANXZNDKLQRQ-DFQSSKMNSA-N 1 0 327.424 3.146 40 0 EGABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCN(C)C3CCCC3)[C@H]2O)c1 ZINC000585289730 459833603 /nfs/dbraw/zinc/83/36/03/459833603.db2.gz WHXOAAUAPGHFLM-PWRODBHTSA-N 1 0 346.515 3.120 40 0 EGABRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c1 ZINC000585289713 459833741 /nfs/dbraw/zinc/83/37/41/459833741.db2.gz VTXBWGAXKXDFHQ-XUVXKRRUSA-N 1 0 327.424 3.146 40 0 EGABRO CC(C)c1cc(C(=O)N2CCCC[C@@H]3[N@H+](C)CCC[C@@]32C)n(C)n1 ZINC000257227666 535348712 /nfs/dbraw/zinc/34/87/12/535348712.db2.gz FQIPCTAORVOFER-HKUYNNGSSA-N 1 0 332.492 3.023 40 0 EGABRO O=C(c1ccsc1)N1C[C@]2(CC[N@H+](CC3CC3)C2)c2ncccc21 ZINC000306128970 547460066 /nfs/dbraw/zinc/46/00/66/547460066.db2.gz HPVHCXGEXHMSQG-LJQANCHMSA-N 1 0 339.464 3.157 40 0 EGABRO Clc1ccccc1CNc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228935820 564118156 /nfs/dbraw/zinc/11/81/56/564118156.db2.gz QJYQNRRBMFKIFA-UHFFFAOYSA-N 1 0 342.834 3.016 40 0 EGABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccccc1Br ZINC000004018232 210101917 /nfs/dbraw/zinc/10/19/17/210101917.db2.gz BPHYNPKPWOFXDN-IHRRRGAJSA-N 1 0 342.277 3.452 40 0 EGABRO CSc1ncccc1C(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038583865 213215904 /nfs/dbraw/zinc/21/59/04/213215904.db2.gz YWSJQMITJLBNEG-UHFFFAOYSA-N 1 0 345.468 3.039 40 0 EGABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cccnc1 ZINC000036740313 213115064 /nfs/dbraw/zinc/11/50/64/213115064.db2.gz ZZUDUCXGXDQZEO-UHFFFAOYSA-N 1 0 336.439 3.379 40 0 EGABRO CCc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000036398614 213097828 /nfs/dbraw/zinc/09/78/28/213097828.db2.gz NWWZYCDTGKKANH-UHFFFAOYSA-N 1 0 328.481 3.489 40 0 EGABRO Cc1nccn1-c1nccnc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072350542 216161732 /nfs/dbraw/zinc/16/17/32/216161732.db2.gz JWYDSVYREGKLJU-IBGZPJMESA-N 1 0 347.466 3.393 40 0 EGABRO Cc1cnc(NC(=O)CCc2cc(C)nc([C@H]3CCC[N@H+]3C)c2)s1 ZINC000072366845 216171494 /nfs/dbraw/zinc/17/14/94/216171494.db2.gz AQYGPWZOWCOIJE-MRXNPFEDSA-N 1 0 344.484 3.493 40 0 EGABRO CCOC(=O)c1c(C)n(C)c2ccc(OCC[NH+](CC)CC)cc21 ZINC000000049454 209390080 /nfs/dbraw/zinc/39/00/80/209390080.db2.gz YGSMDXWHUPCYMY-UHFFFAOYSA-N 1 0 332.444 3.384 40 0 EGABRO FC(F)(F)c1ccn([C@H]2CCC[N@H+](CCO[C@@H]3CCCCO3)C2)n1 ZINC000193116324 240027661 /nfs/dbraw/zinc/02/76/61/240027661.db2.gz HCGTXHGQAXPDMT-DZGCQCFKSA-N 1 0 347.381 3.082 40 0 EGABRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2c(s1)CCC2 ZINC000195555948 241003191 /nfs/dbraw/zinc/00/31/91/241003191.db2.gz DYPMITOOLSWLGO-VXGBXAGGSA-N 1 0 337.489 3.292 40 0 EGABRO Cc1ncsc1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000195556030 241003641 /nfs/dbraw/zinc/00/36/41/241003641.db2.gz LVXYSZQAECWPHA-ZDUSSCGKSA-N 1 0 325.478 3.331 40 0 EGABRO Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000195558543 241007228 /nfs/dbraw/zinc/00/72/28/241007228.db2.gz SXYFTLWLHQWLEY-CYBMUJFWSA-N 1 0 325.478 3.331 40 0 EGABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@H]2C[NH3+])cc1 ZINC000218603112 241332576 /nfs/dbraw/zinc/33/25/76/241332576.db2.gz VTEDGAUWJJZECN-QYZOEREBSA-N 1 0 329.465 3.072 40 0 EGABRO [NH3+][C@H]1[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218590265 241333189 /nfs/dbraw/zinc/33/31/89/241333189.db2.gz BMUIPYHQWSFTLI-KKUMJFAQSA-N 1 0 342.247 3.260 40 0 EGABRO Cc1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000222678313 241543367 /nfs/dbraw/zinc/54/33/67/241543367.db2.gz FUCXNIHYVCXMGL-UHFFFAOYSA-N 1 0 337.467 3.236 40 0 EGABRO CCOc1ccccc1NC(=S)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000225735729 242010127 /nfs/dbraw/zinc/01/01/27/242010127.db2.gz QGLNBUQSMYFDFK-OAHLLOKOSA-N 1 0 335.517 3.494 40 0 EGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(OC)c(C)c1 ZINC000225754536 242019360 /nfs/dbraw/zinc/01/93/60/242019360.db2.gz JQUYCJMPAYLADW-GOSISDBHSA-N 1 0 332.488 3.317 40 0 EGABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000257232587 244217319 /nfs/dbraw/zinc/21/73/19/244217319.db2.gz GLNRARLZERELAN-IBGZPJMESA-N 1 0 327.403 3.194 40 0 EGABRO Cc1ccccc1CNC(=O)c1ncccc1-c1cccc(C[NH3+])c1 ZINC000257231541 244213407 /nfs/dbraw/zinc/21/34/07/244213407.db2.gz GHEYJRNAMLCJLF-UHFFFAOYSA-N 1 0 331.419 3.446 40 0 EGABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1ccc(F)cc1 ZINC000257239157 244239553 /nfs/dbraw/zinc/23/95/53/244239553.db2.gz HOEAWOCPPDGOMU-ZNWBIBPKSA-N 1 0 346.446 3.068 40 0 EGABRO CCc1cc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)n(C)n1 ZINC000019522172 212036453 /nfs/dbraw/zinc/03/64/53/212036453.db2.gz DFBPVYUOVKMHBY-UHFFFAOYSA-N 1 0 326.444 3.221 40 0 EGABRO NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@H+](CC2CC2)C1 ZINC000019374154 212024501 /nfs/dbraw/zinc/02/45/01/212024501.db2.gz OOEJUWXMGAYCDL-QFIPXVFZSA-N 1 0 334.463 3.484 40 0 EGABRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccccn2)CC1 ZINC000078553364 217075290 /nfs/dbraw/zinc/07/52/90/217075290.db2.gz RREDJWFVTHHMPD-INIZCTEOSA-N 1 0 342.462 3.213 40 0 EGABRO CSc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000110674548 220054912 /nfs/dbraw/zinc/05/49/12/220054912.db2.gz ZAJALAGMSRMVLZ-GRDNDAEWSA-N 1 0 335.517 3.451 40 0 EGABRO Cc1ccc(NC(=O)C[NH2+]Cc2ccccc2)cc1Br ZINC000013555649 211577263 /nfs/dbraw/zinc/57/72/63/211577263.db2.gz DNYBPHAZCJWXGK-UHFFFAOYSA-N 1 0 333.229 3.486 40 0 EGABRO CN(CC[NH+](C)C)C(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000012325490 211349789 /nfs/dbraw/zinc/34/97/89/211349789.db2.gz OLHIGLJBWYAQCH-UHFFFAOYSA-N 1 0 337.876 3.026 40 0 EGABRO C[NH+](C)C[C@H]1CSCCCN1C(=O)Nc1cccc(Cl)c1 ZINC000090608915 217943829 /nfs/dbraw/zinc/94/38/29/217943829.db2.gz BKUDKPUDZYGYRP-AWEZNQCLSA-N 1 0 327.881 3.241 40 0 EGABRO Cn1cccc1[C@@H](CNC(=O)c1ccc(F)cc1Cl)[NH+]1CCCC1 ZINC000011845578 211256115 /nfs/dbraw/zinc/25/61/15/211256115.db2.gz MZCCLKIMIBVPRA-QGZVFWFLSA-N 1 0 349.837 3.385 40 0 EGABRO Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)C3CCOCC3)cc2)n1 ZINC000095420316 218360670 /nfs/dbraw/zinc/36/06/70/218360670.db2.gz BXWFHEKABXDXPU-KRWDZBQOSA-N 1 0 327.472 3.436 40 0 EGABRO C[C@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1cnn(C)c1 ZINC000095422515 218365487 /nfs/dbraw/zinc/36/54/87/218365487.db2.gz VSVUQQDORHKRLJ-WFASDCNBSA-N 1 0 338.377 3.368 40 0 EGABRO CC[NH+](CC)CCOC(=O)[C@@H](c1ccccc1)[C@H](O)[C@H]1CC=CCC1 ZINC000005572708 210492223 /nfs/dbraw/zinc/49/22/23/210492223.db2.gz HRCOKXUTLNEIOQ-SLFFLAALSA-N 1 0 345.483 3.372 40 0 EGABRO Cn1c[n+](C[C@@H](O)COc2ccc3ccccc3c2)c2ccccc21 ZINC000005015185 210362452 /nfs/dbraw/zinc/36/24/52/210362452.db2.gz BSUDJPLHPMVVNK-GOSISDBHSA-N 1 0 333.411 3.059 40 0 EGABRO C[C@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc2ccccc2c1 ZINC000129314099 533607440 /nfs/dbraw/zinc/60/74/40/533607440.db2.gz BOURVSQNQHWQSX-JKSUJKDBSA-N 1 0 325.456 3.494 40 0 EGABRO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(C)CC3)ccc21 ZINC000012291376 135693831 /nfs/dbraw/zinc/69/38/31/135693831.db2.gz XOKPAXGBPNNSFB-FQEVSTJZSA-N 1 0 344.499 3.387 40 0 EGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000195558564 277186621 /nfs/dbraw/zinc/18/66/21/277186621.db2.gz HFOOVDIVYJYHGI-HZMVEIRTSA-N 1 0 338.492 3.323 40 0 EGABRO CC(=O)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000257320911 277977539 /nfs/dbraw/zinc/97/75/39/277977539.db2.gz VZGAFPXJIZGZTA-IBGZPJMESA-N 1 0 328.456 3.073 40 0 EGABRO CS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000195531803 278146765 /nfs/dbraw/zinc/14/67/65/278146765.db2.gz PQZVUHZHPRKMHH-JHJVBQTASA-N 1 0 338.439 3.003 40 0 EGABRO CC[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)c1nccn1C ZINC000096491606 280188190 /nfs/dbraw/zinc/18/81/90/280188190.db2.gz IGKWSWXUISRLQX-CQSZACIVSA-N 1 0 335.835 3.128 40 0 EGABRO C[C@H](Oc1ccccc1F)C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019078933 290185442 /nfs/dbraw/zinc/18/54/42/290185442.db2.gz YTAJGOVMCLMKEX-DLBZAZTESA-N 1 0 348.462 3.460 40 0 EGABRO Cn1cc(C[C@@H]2CC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)cn1 ZINC000097230917 323215115 /nfs/dbraw/zinc/21/51/15/323215115.db2.gz IPSZZWAWAUJVDK-ZDUSSCGKSA-N 1 0 341.484 3.071 40 0 EGABRO O=C(Nc1ccc(-c2csnn2)cc1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000097229062 323215230 /nfs/dbraw/zinc/21/52/30/323215230.db2.gz MPRFGWFMDKHWTN-QGZVFWFLSA-N 1 0 336.420 3.031 40 0 EGABRO CCn1c[n+](C[C@H](O)COc2ccc(F)cc2)c2cc(C)c(C)cc21 ZINC000000268772 452549396 /nfs/dbraw/zinc/54/93/96/452549396.db2.gz IUQRVVBNHTWHKR-KRWDZBQOSA-N 1 0 343.422 3.145 40 0 EGABRO COc1ccc(CNc2cc([C@@H](O)C[NH2+]C(C)(C)C)ccc2O)cc1 ZINC000001567690 452668232 /nfs/dbraw/zinc/66/82/32/452668232.db2.gz CWNSARGKNRTVBY-IBGZPJMESA-N 1 0 344.455 3.434 40 0 EGABRO Cc1cc(C)c(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000006500578 452948164 /nfs/dbraw/zinc/94/81/64/452948164.db2.gz BWKFDNLKEHZJFX-FQEVSTJZSA-N 1 0 325.452 3.410 40 0 EGABRO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Br)c1OC ZINC000008253614 453182646 /nfs/dbraw/zinc/18/26/46/453182646.db2.gz QQCALNZJMHQPSX-LBPRGKRZSA-N 1 0 344.249 3.125 40 0 EGABRO CC(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CCCC(C)(C)C3)ccc21 ZINC000012291251 453354187 /nfs/dbraw/zinc/35/41/87/453354187.db2.gz MHAIGNNTCKOVOB-LJQANCHMSA-N 1 0 330.472 3.141 40 0 EGABRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCc2ccccc21 ZINC000013002412 453435492 /nfs/dbraw/zinc/43/54/92/453435492.db2.gz BEYLGMVMKIKXMS-PZJWPPBQSA-N 1 0 334.463 3.497 40 0 EGABRO O=C(NCC[NH+]1CCCCC1)c1ccccc1OCc1ccccc1 ZINC000013687453 453480331 /nfs/dbraw/zinc/48/03/31/453480331.db2.gz WYUVDIAFFTXGHC-UHFFFAOYSA-N 1 0 338.451 3.481 40 0 EGABRO COc1ccc2nc(C[N@H+](CCO)Cc3cccs3)ccc2c1 ZINC000013997494 453495865 /nfs/dbraw/zinc/49/58/65/453495865.db2.gz YCXKKCCDTHXKEN-UHFFFAOYSA-N 1 0 328.437 3.299 40 0 EGABRO CC[NH+](CC)CCNC(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000014203574 453519744 /nfs/dbraw/zinc/51/97/44/453519744.db2.gz IXKYGRANHWRQOB-UHFFFAOYSA-N 1 0 342.439 3.316 40 0 EGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000019210228 453655279 /nfs/dbraw/zinc/65/52/79/453655279.db2.gz BAQGOMLNFKFLGJ-NRFANRHFSA-N 1 0 336.435 3.152 40 0 EGABRO c1ccc(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000022462538 453692878 /nfs/dbraw/zinc/69/28/78/453692878.db2.gz VHHKQPAMKPAGAC-JOCHJYFZSA-N 1 0 335.495 3.079 40 0 EGABRO COc1cccc(COC[C@H](O)C[N@@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000032489808 453876263 /nfs/dbraw/zinc/87/62/63/453876263.db2.gz YYZCKVOFEQSCLK-GOEBONIOSA-N 1 0 347.480 3.254 40 0 EGABRO Cc1csc(C2(NCC(=O)NCc3ccc(F)cc3)CCCC2)n1 ZINC000081595910 453892527 /nfs/dbraw/zinc/89/25/27/453892527.db2.gz YKHXRYHZVMODDX-UHFFFAOYSA-N 1 0 347.459 3.266 40 0 EGABRO Cc1ccc(C)c([C@@H](O)C[NH+]2CCC(CC(=O)N(C)C(C)C)CC2)c1 ZINC000075639801 453914132 /nfs/dbraw/zinc/91/41/32/453914132.db2.gz QBHBKPMWXWKWRX-FQEVSTJZSA-N 1 0 346.515 3.306 40 0 EGABRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1 ZINC000040107539 453947455 /nfs/dbraw/zinc/94/74/55/453947455.db2.gz UKWFRUVJIVUHII-LBPRGKRZSA-N 1 0 325.250 3.053 40 0 EGABRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc3nccn3c2)CC1 ZINC000084259897 453980979 /nfs/dbraw/zinc/98/09/79/453980979.db2.gz MIROCNJPPRCDSS-UHFFFAOYSA-N 1 0 348.450 3.071 40 0 EGABRO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000077512706 454116088 /nfs/dbraw/zinc/11/60/88/454116088.db2.gz GGTBXGLAINNQON-HNNXBMFYSA-N 1 0 328.416 3.111 40 0 EGABRO O=C(CSCc1ccc(F)cc1)NCCC[NH+]1CCCCCC1 ZINC000044900238 454125477 /nfs/dbraw/zinc/12/54/77/454125477.db2.gz YKTONQIIPUCCEJ-UHFFFAOYSA-N 1 0 338.492 3.441 40 0 EGABRO O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058920185 454244963 /nfs/dbraw/zinc/24/49/63/454244963.db2.gz GFTFACAEFSWZLY-NSHDSACASA-N 1 0 328.790 3.319 40 0 EGABRO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096047034 454269577 /nfs/dbraw/zinc/26/95/77/454269577.db2.gz ZAAUWFXJWPUFIQ-IBGZPJMESA-N 1 0 341.480 3.271 40 0 EGABRO Fc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047644 454270472 /nfs/dbraw/zinc/27/04/72/454270472.db2.gz VFYGVLVBNRIIJU-APWZRJJASA-N 1 0 345.393 3.205 40 0 EGABRO c1ccc(CO[C@@H]2COC3(C2)CC[NH+](Cc2cccnc2)CC3)cc1 ZINC000096047863 454270854 /nfs/dbraw/zinc/27/08/54/454270854.db2.gz JVSRZRGLIQTNRO-FQEVSTJZSA-N 1 0 338.451 3.422 40 0 EGABRO O=C(Nc1ccccc1)[C@H]1C[N@H+](Cc2ccco2)CC12CCOCC2 ZINC000096052244 454273135 /nfs/dbraw/zinc/27/31/35/454273135.db2.gz KCHAVAARKDKCRY-GOSISDBHSA-N 1 0 340.423 3.147 40 0 EGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)o1 ZINC000096050720 454273171 /nfs/dbraw/zinc/27/31/71/454273171.db2.gz FJKKLFHXSVYERW-LJQANCHMSA-N 1 0 328.387 3.356 40 0 EGABRO CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cccs3)O2)CC1 ZINC000096057535 454274150 /nfs/dbraw/zinc/27/41/50/454274150.db2.gz NTYASOQSSYYUKF-KZNAEPCWSA-N 1 0 348.512 3.129 40 0 EGABRO Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4cccs4)CC[N@@H+]3C2)c1 ZINC000096055134 454274903 /nfs/dbraw/zinc/27/49/03/454274903.db2.gz DMCBCGNLDSUMOU-DOTOQJQBSA-N 1 0 332.444 3.225 40 0 EGABRO O=C(c1cccs1)N1C[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053898 454275230 /nfs/dbraw/zinc/27/52/30/454275230.db2.gz VZOJFFWUIFFCIS-GJZGRUSLSA-N 1 0 330.428 3.091 40 0 EGABRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](Cc1cccnc1)CC2 ZINC000096061445 454277082 /nfs/dbraw/zinc/27/70/82/454277082.db2.gz XZWCRPDZKUNCCW-IBGZPJMESA-N 1 0 335.451 3.062 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@H]2CN(C(=O)CC3CCCC3)C[C@H]2C1 ZINC000096081450 454280626 /nfs/dbraw/zinc/28/06/26/454280626.db2.gz QWWOYOLFDCAPQL-ZWKOTPCHSA-N 1 0 345.487 3.152 40 0 EGABRO FC(F)(F)CC[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC000096073223 454280683 /nfs/dbraw/zinc/28/06/83/454280683.db2.gz FWJICMPWWBQFFB-AWEZNQCLSA-N 1 0 330.350 3.036 40 0 EGABRO CCOC[C@@H]1COCCC12CC[NH+](CCOCc1ccccc1)CC2 ZINC000096106422 454284573 /nfs/dbraw/zinc/28/45/73/454284573.db2.gz SMXWOOTWBLDGAL-HXUWFJFHSA-N 1 0 347.499 3.358 40 0 EGABRO c1coc(C[NH+]2CCC3(C[C@H](OCc4ccncc4)CO3)CC2)c1 ZINC000096106812 454284745 /nfs/dbraw/zinc/28/47/45/454284745.db2.gz FAFFUCBCSLASFJ-SFHVURJKSA-N 1 0 328.412 3.015 40 0 EGABRO COc1c(Br)cccc1C[NH2+][C@@H](C)C1CCOCC1 ZINC000090230118 454296806 /nfs/dbraw/zinc/29/68/06/454296806.db2.gz YYMXLIAGJWIESU-NSHDSACASA-N 1 0 328.250 3.362 40 0 EGABRO CCOc1ccc(C(=O)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OCC ZINC000060524758 454297610 /nfs/dbraw/zinc/29/76/10/454297610.db2.gz WSMFIQVWROSOMM-IYBDPMFKSA-N 1 0 348.487 3.192 40 0 EGABRO c1c2ccccc2oc1-c1nnc2sc(CC[NH+]3CCCC3)nn21 ZINC000096194079 454301767 /nfs/dbraw/zinc/30/17/67/454301767.db2.gz QSAWYZIUKOAYLS-UHFFFAOYSA-N 1 0 339.424 3.237 40 0 EGABRO c1cc(C[N@H+]2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)co1 ZINC000096206966 454304169 /nfs/dbraw/zinc/30/41/69/454304169.db2.gz VGYJBHSXFPIUHP-OALUTQOASA-N 1 0 328.412 3.015 40 0 EGABRO O=C(CC1CC1)N[C@@H]1COCCC12CC[NH+](Cc1cccs1)CC2 ZINC000096209793 454305488 /nfs/dbraw/zinc/30/54/88/454305488.db2.gz XPMNOAWABJXXSQ-QGZVFWFLSA-N 1 0 348.512 3.036 40 0 EGABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC000096238569 454310777 /nfs/dbraw/zinc/31/07/77/454310777.db2.gz KYCFEHOLECRECM-FQEVSTJZSA-N 1 0 339.439 3.229 40 0 EGABRO Cc1cc(C)n(Cc2cccc(NC(=O)NCC[N@@H+](C)C(C)C)c2)n1 ZINC000096434769 454346774 /nfs/dbraw/zinc/34/67/74/454346774.db2.gz PYTLYSRPORHJOA-UHFFFAOYSA-N 1 0 343.475 3.010 40 0 EGABRO COc1ccc2cc([C@H](C)[N@@H+]3CCCN(C(C)=O)CC3)ccc2c1 ZINC000096443259 454351080 /nfs/dbraw/zinc/35/10/80/454351080.db2.gz OKUHUFXXVRXYKL-HNNXBMFYSA-N 1 0 326.440 3.464 40 0 EGABRO C[NH+](C)CCn1ccc2ccc(NC(=O)C3CCSCC3)cc21 ZINC000096443720 454351694 /nfs/dbraw/zinc/35/16/94/454351694.db2.gz SEPUQIHSQZBINC-UHFFFAOYSA-N 1 0 331.485 3.285 40 0 EGABRO CCc1nc(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c[nH]1 ZINC000096454215 454357284 /nfs/dbraw/zinc/35/72/84/454357284.db2.gz RXBKRUBEGBTBHF-DOTOQJQBSA-N 1 0 340.471 3.270 40 0 EGABRO Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)on1 ZINC000096483684 454366554 /nfs/dbraw/zinc/36/65/54/454366554.db2.gz JCZNHWJPYDQWQY-YIONKMFJSA-N 1 0 335.448 3.345 40 0 EGABRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000097233738 454428641 /nfs/dbraw/zinc/42/86/41/454428641.db2.gz UNXCIBYIZZOHHQ-QGZVFWFLSA-N 1 0 337.427 3.432 40 0 EGABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000049168974 454537439 /nfs/dbraw/zinc/53/74/39/454537439.db2.gz YCWFVYXSWPYGMW-AWEZNQCLSA-N 1 0 329.469 3.097 40 0 biogenic,in-vitro EGABRO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC2)OCCN3c2cccnc2)s1 ZINC000107255229 454747974 /nfs/dbraw/zinc/74/79/74/454747974.db2.gz RMXYOZYULYJJFG-MOPGFXCFSA-N 1 0 343.496 3.321 40 0 EGABRO O=C(Nc1ccccc1)N1C[C@H]2C[N@H+](CCCc3ccccc3)[C@@H]2C1 ZINC000107798599 454773261 /nfs/dbraw/zinc/77/32/61/454773261.db2.gz ODAWGHBAUACBMA-UYAOXDASSA-N 1 0 335.451 3.467 40 0 EGABRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ncncc3Cl)c2C1 ZINC000179768105 455077401 /nfs/dbraw/zinc/07/74/01/455077401.db2.gz WLTSGWKBHUTNEK-UHFFFAOYSA-N 1 0 330.819 3.354 40 0 EGABRO CCOc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCC[C@H](C)[C@H]3C)C2=O)cc1 ZINC000245380255 455282603 /nfs/dbraw/zinc/28/26/03/455282603.db2.gz UYNYFZVAQXLIGE-JFTQMJAMSA-N 1 0 344.455 3.132 40 0 EGABRO CCOc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)C2=O)cc1 ZINC000245380254 455282705 /nfs/dbraw/zinc/28/27/05/455282705.db2.gz UYNYFZVAQXLIGE-DTDBQYNISA-N 1 0 344.455 3.132 40 0 EGABRO CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](CC1CCCC1)CC2 ZINC000247932565 455655823 /nfs/dbraw/zinc/65/58/23/455655823.db2.gz KJAMHQRNFSCNRQ-FQEVSTJZSA-N 1 0 348.531 3.164 40 0 EGABRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(OCC4CC4)cc3)[C@H]2C1 ZINC000248814912 455732942 /nfs/dbraw/zinc/73/29/42/455732942.db2.gz DJYZYXDULUFRIZ-HSALFYBXSA-N 1 0 331.456 3.244 40 0 EGABRO O=C(N[C@@H](c1ccccc1)C1CCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252486574 455810360 /nfs/dbraw/zinc/81/03/60/455810360.db2.gz LRJSMPHHHRJMHW-QYZOEREBSA-N 1 0 327.472 3.454 40 0 EGABRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000252486309 455810532 /nfs/dbraw/zinc/81/05/32/455810532.db2.gz IDJKISDLUCAMFQ-XFBWCDHKSA-N 1 0 331.428 3.014 40 0 EGABRO CO[C@H](C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 ZINC000252488335 455811098 /nfs/dbraw/zinc/81/10/98/455811098.db2.gz IPIYFOPSGGSSEO-SJLPKXTDSA-N 1 0 332.488 3.248 40 0 EGABRO CCc1[nH+]c2ccccc2c(N2CCO[C@H](c3nnc(C)[nH]3)C2)c1C ZINC000252496019 455814195 /nfs/dbraw/zinc/81/41/95/455814195.db2.gz PEGTXPPYQCYYNX-KRWDZBQOSA-N 1 0 337.427 3.110 40 0 EGABRO CSc1cccc(F)c1C(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000253395351 455837853 /nfs/dbraw/zinc/83/78/53/455837853.db2.gz TUUCLZSXJBYQHM-OCCSQVGLSA-N 1 0 333.432 3.467 40 0 EGABRO CC(C)SCC[NH2+][C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000253392809 455838235 /nfs/dbraw/zinc/83/82/35/455838235.db2.gz WHCKEXOLKAMWHK-CQSZACIVSA-N 1 0 342.530 3.019 40 0 EGABRO C[N@H+](CC(=O)Nc1nccs1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000253426786 455844969 /nfs/dbraw/zinc/84/49/69/455844969.db2.gz AYKHGFVGHFGOJI-LSDHHAIUSA-N 1 0 349.431 3.073 40 0 EGABRO Cc1nc(C(=O)N2CCCCCCC2)cc(C2CC[NH+](C)CC2)n1 ZINC000257303845 455886371 /nfs/dbraw/zinc/88/63/71/455886371.db2.gz SIYWNNPASQTDEC-UHFFFAOYSA-N 1 0 330.476 3.001 40 0 EGABRO COc1ccccc1CC(=O)N1CCCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257328228 455893314 /nfs/dbraw/zinc/89/33/14/455893314.db2.gz XESRGYUWGKHPOW-ICSRJNTNSA-N 1 0 330.472 3.103 40 0 EGABRO c1ncc(C[N@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)s1 ZINC000257336652 455893860 /nfs/dbraw/zinc/89/38/60/455893860.db2.gz YPJQLUGBQMTXMT-INIZCTEOSA-N 1 0 339.464 3.382 40 0 EGABRO Cc1cccc(Nc2cc(C3CC[NH+]([C@@H]4CCOC4)CC3)ccn2)n1 ZINC000257335298 455894750 /nfs/dbraw/zinc/89/47/50/455894750.db2.gz YJOGKYPNUAXHLH-GOSISDBHSA-N 1 0 338.455 3.497 40 0 EGABRO COCCC(=O)N1CCC([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000188244243 456028892 /nfs/dbraw/zinc/02/88/92/456028892.db2.gz QJYCRVYEHRYOHW-PZJWPPBQSA-N 1 0 344.499 3.114 40 0 EGABRO O=C(CSCc1ccc(Cl)cc1F)NCCC[NH+]1CCCC1 ZINC000223165007 456053891 /nfs/dbraw/zinc/05/38/91/456053891.db2.gz MJENZOFQLWPKNH-UHFFFAOYSA-N 1 0 344.883 3.314 40 0 EGABRO O=S1(=O)CCC[C@H](C[NH2+]C2(Cc3ccccc3)CCCCC2)C1 ZINC000225468967 456085392 /nfs/dbraw/zinc/08/53/92/456085392.db2.gz PZMVUIMAURBXMN-GOSISDBHSA-N 1 0 335.513 3.346 40 0 EGABRO COc1ccc(C[N@@H+]2CC[C@H]3COC(=O)N3c3ccccc3C2)cc1 ZINC000225481893 456086831 /nfs/dbraw/zinc/08/68/31/456086831.db2.gz XQOCNZIEXKQNFG-KRWDZBQOSA-N 1 0 338.407 3.426 40 0 biogenic,in-vitro EGABRO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3CC2CC2)s1 ZINC000306140787 456567880 /nfs/dbraw/zinc/56/78/80/456567880.db2.gz VEGHYFWRUAUWIC-ZWKOTPCHSA-N 1 0 341.480 3.149 40 0 EGABRO c1nc2n(c1-c1ccccc1)C[C@H]1C[N@@H+](Cc3ccncc3)C[C@@H]1C2 ZINC000306138269 456568171 /nfs/dbraw/zinc/56/81/71/456568171.db2.gz RTVCZACNJSGRPG-RBUKOAKNSA-N 1 0 330.435 3.249 40 0 EGABRO c1coc(C[NH+]2CCC3(Cc4ncc(-c5cccnc5)n4C3)CC2)c1 ZINC000306137179 456568273 /nfs/dbraw/zinc/56/82/73/456568273.db2.gz QNVMQMFSFRDZIF-UHFFFAOYSA-N 1 0 334.423 3.377 40 0 EGABRO c1csc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)n1 ZINC000306137920 456568381 /nfs/dbraw/zinc/56/83/81/456568381.db2.gz RKCBXZLMELHCHT-JKSUJKDBSA-N 1 0 336.464 3.311 40 0 EGABRO Cc1cc(NC[C@H]2CCC[N@@H+](C(C)C)C2)nc(-c2cccnc2)n1 ZINC000299375094 456672420 /nfs/dbraw/zinc/67/24/20/456672420.db2.gz LUDHYWLNWNVGFX-MRXNPFEDSA-N 1 0 325.460 3.379 40 0 EGABRO COc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2nccc3ccccc32)cc1 ZINC000299850460 456781792 /nfs/dbraw/zinc/78/17/92/456781792.db2.gz HSMPGWVIXHOPSS-IBGZPJMESA-N 1 0 347.418 3.030 40 0 EGABRO C[C@H]1CCN(C(=O)c2c[nH]c3cccnc23)CC[N@@H+]1Cc1ccccc1 ZINC000329891224 456956984 /nfs/dbraw/zinc/95/69/84/456956984.db2.gz HNTIHDUOHLPEBV-INIZCTEOSA-N 1 0 348.450 3.300 40 0 EGABRO Fc1ccc(C[N@@H+]2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)cc1 ZINC000503716904 458722400 /nfs/dbraw/zinc/72/24/00/458722400.db2.gz JNRIQASLXWYYBN-AABGKKOBSA-N 1 0 342.414 3.169 40 0 EGABRO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@H+](CC1CC1)CC2 ZINC000585099882 459823159 /nfs/dbraw/zinc/82/31/59/459823159.db2.gz OWDFBWHGJCCBKM-LJQANCHMSA-N 1 0 331.460 3.049 40 0 EGABRO CC1CC[NH+](CCC(=O)N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)CC1 ZINC000585283752 459832172 /nfs/dbraw/zinc/83/21/72/459832172.db2.gz CHYSRLOPJSQTMD-FXAWDEMLSA-N 1 0 336.520 3.305 40 0 EGABRO COc1ccccc1C[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585284393 459832550 /nfs/dbraw/zinc/83/25/50/459832550.db2.gz HXNUCONKCBXBRM-DFQSSKMNSA-N 1 0 345.414 3.285 40 0 EGABRO CCc1ccc([C@@H]2[C@H](C[NH3+])[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000218603190 547240534 /nfs/dbraw/zinc/24/05/34/547240534.db2.gz VTEDGAUWJJZECN-OTWHNJEPSA-N 1 0 329.465 3.072 40 0 EGABRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccccc1C1CC1 ZINC000584908321 548099278 /nfs/dbraw/zinc/09/92/78/548099278.db2.gz PVOUSNNXZFYMJV-CQSZACIVSA-N 1 0 344.480 3.404 40 0 EGABRO Cc1cc(NCC2(C(N)=O)CCOCC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000952874720 1334585253 /nfs/dbraw/zinc/58/52/53/1334585253.db2.gz PWRKWTDIMLLQKH-UHFFFAOYSA-N 1 0 347.846 3.199 40 0 EGABRO