smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019499271 202008246 /nfs/dbraw/zinc/00/82/46/202008246.db2.gz ILVYYKLIYYCHFQ-RDJZCZTQSA-N 1 1 344.484 3.018 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019554923 202011801 /nfs/dbraw/zinc/01/18/01/202011801.db2.gz DIPGXDIVUVFCST-INIZCTEOSA-N 1 1 336.395 3.130 40 0 EGABMO CSc1ncc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cn1 ZINC000019574144 202012536 /nfs/dbraw/zinc/01/25/36/202012536.db2.gz HXPCBWFKNIJIMQ-HNNXBMFYSA-N 1 1 339.468 3.454 40 0 EGABMO C[N@@H+](CCc1ccccn1)Cc1c2cccnc2[nH]c1[C@H]1CCCO1 ZINC000019586256 202013647 /nfs/dbraw/zinc/01/36/47/202013647.db2.gz SJMGRIDCMXNAMA-GOSISDBHSA-N 1 1 336.439 3.484 40 0 EGABMO C[NH2+]C1CCC2(CC1)CN(Cc1ccncc1)Cc1ccccc1O2 ZINC000019591994 202014768 /nfs/dbraw/zinc/01/47/68/202014768.db2.gz FDPHQFSHVSBTAN-UHFFFAOYSA-N 1 1 337.467 3.377 40 0 EGABMO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cn(C)c2ccc(F)cc12 ZINC000019749146 202019359 /nfs/dbraw/zinc/01/93/59/202019359.db2.gz XGVWBVCNEGTPHX-QGZVFWFLSA-N 1 1 331.435 3.198 40 0 EGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccccc1C ZINC000020492821 202047031 /nfs/dbraw/zinc/04/70/31/202047031.db2.gz KUJQEGMIYYPFJG-UHFFFAOYSA-N 1 1 335.407 3.184 40 0 EGABMO OCC[NH2+]CCN[C@H](Cc1ccccc1)c1cccc2ccccc21 ZINC000022877087 202093751 /nfs/dbraw/zinc/09/37/51/202093751.db2.gz FTZCAWPQOLUZRV-JOCHJYFZSA-N 1 1 334.463 3.295 40 0 EGABMO O=C(NCc1ccccc1)C1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000029192313 202183516 /nfs/dbraw/zinc/18/35/16/202183516.db2.gz LRFABHMHWHEWMX-UHFFFAOYSA-N 1 1 349.434 3.356 40 0 EGABMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000071121920 202340312 /nfs/dbraw/zinc/34/03/12/202340312.db2.gz HKYRAPZDGHMQCE-ILXRZTDVSA-N 1 1 335.473 3.025 40 0 EGABMO C[NH+](C)Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)n[nH]1 ZINC000072258634 202360180 /nfs/dbraw/zinc/36/01/80/202360180.db2.gz GUZXQZRGPFPVRB-UHFFFAOYSA-N 1 1 334.423 3.242 40 0 EGABMO C[N@@H+](CCSc1ccc2nnc(C(F)F)n2n1)Cc1ccccc1 ZINC000193744223 240291490 /nfs/dbraw/zinc/29/14/90/240291490.db2.gz QXUQQTRKPFTBKG-UHFFFAOYSA-N 1 1 349.410 3.286 40 0 EGABMO Cc1ccc(CC(=O)NCCC[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000225790400 242038577 /nfs/dbraw/zinc/03/85/77/242038577.db2.gz BKRVNJVILITTIK-UHFFFAOYSA-N 1 1 336.479 3.411 40 0 EGABMO Cc1nn(C)c2nc([C@]3(C)CCC[N@@H+](Cc4cccnc4)C3)ccc12 ZINC000257204928 244130106 /nfs/dbraw/zinc/13/01/06/244130106.db2.gz AWWZLHBDLPFOLV-HXUWFJFHSA-N 1 1 335.455 3.225 40 0 EGABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000257209137 244142088 /nfs/dbraw/zinc/14/20/88/244142088.db2.gz BPEJPUHXXRWYIM-AWEZNQCLSA-N 1 1 332.473 3.259 40 0 EGABMO Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3n[nH]c4ccccc43)C2)[nH+]1 ZINC000257210411 244149106 /nfs/dbraw/zinc/14/91/06/244149106.db2.gz BUMMAVSAQGEONB-OAHLLOKOSA-N 1 1 349.438 3.007 40 0 EGABMO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000257231968 244216044 /nfs/dbraw/zinc/21/60/44/244216044.db2.gz GIVXRLSOLJTZJI-HNNXBMFYSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000257231968 244216048 /nfs/dbraw/zinc/21/60/48/244216048.db2.gz GIVXRLSOLJTZJI-HNNXBMFYSA-N 1 1 349.442 3.026 40 0 EGABMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000093360993 203185862 /nfs/dbraw/zinc/18/58/62/203185862.db2.gz ZYJPSCMWBXADAW-QGZVFWFLSA-N 1 1 339.439 3.140 40 0 EGABMO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2)n1 ZINC000257219108 244178898 /nfs/dbraw/zinc/17/88/98/244178898.db2.gz DFPFQGKCUCVRHZ-LJQANCHMSA-N 1 1 345.393 3.333 40 0 EGABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2)n1 ZINC000257219108 244178909 /nfs/dbraw/zinc/17/89/09/244178909.db2.gz DFPFQGKCUCVRHZ-LJQANCHMSA-N 1 1 345.393 3.333 40 0 EGABMO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3cc[nH]n3)CC2)ccn1 ZINC000257242731 244248038 /nfs/dbraw/zinc/24/80/38/244248038.db2.gz IDWJQCOUEZLODD-UHFFFAOYSA-N 1 1 337.427 3.456 40 0 EGABMO c1ncc(C[N@@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)s1 ZINC000257233669 244219479 /nfs/dbraw/zinc/21/94/79/244219479.db2.gz GQEGBQHHYREMKH-OALUTQOASA-N 1 1 344.480 3.483 40 0 EGABMO Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)n1 ZINC000257234860 244226501 /nfs/dbraw/zinc/22/65/01/244226501.db2.gz GVJTZEFCXNAJBM-PZJWPPBQSA-N 1 1 335.451 3.028 40 0 EGABMO CCOc1c(Cl)cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1OC ZINC000072324534 203201550 /nfs/dbraw/zinc/20/15/50/203201550.db2.gz KZURJJCKLMCGII-DZGCQCFKSA-N 1 1 338.879 3.416 40 0 EGABMO C[C@@H]1C[N@H+](Cc2c3cccnc3[nH]c2C2CCOCC2)C[C@H](C)O1 ZINC000072394989 203213058 /nfs/dbraw/zinc/21/30/58/203213058.db2.gz PEJHWGRRIHCAST-OKILXGFUSA-N 1 1 329.444 3.066 40 0 EGABMO CN(C)[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1c1cn(C)c2ccccc12 ZINC000072395140 203213136 /nfs/dbraw/zinc/21/31/36/203213136.db2.gz XEYKDNCTEDXKHJ-PZJWPPBQSA-N 1 1 334.467 3.103 40 0 EGABMO CN(C)[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1c1cn(C)c2ccccc12 ZINC000072395140 203213140 /nfs/dbraw/zinc/21/31/40/203213140.db2.gz XEYKDNCTEDXKHJ-PZJWPPBQSA-N 1 1 334.467 3.103 40 0 EGABMO Cc1nccc(CN2CC[N@H+](C)[C@H](c3ccc(OC(C)C)cc3)C2)n1 ZINC000257262557 244350494 /nfs/dbraw/zinc/35/04/94/244350494.db2.gz LLXGMWHMAODHMB-FQEVSTJZSA-N 1 1 340.471 3.061 40 0 EGABMO Cc1nccc(CN2CC[N@@H+](C)[C@H](c3ccc(OC(C)C)cc3)C2)n1 ZINC000257262557 244350499 /nfs/dbraw/zinc/35/04/99/244350499.db2.gz LLXGMWHMAODHMB-FQEVSTJZSA-N 1 1 340.471 3.061 40 0 EGABMO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cncc(C)n2)cc1CO ZINC000257276143 244392458 /nfs/dbraw/zinc/39/24/58/244392458.db2.gz NSMODBHRVKXFNR-SFHVURJKSA-N 1 1 327.428 3.013 40 0 EGABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cncc(C)n2)cc1CO ZINC000257276143 244392460 /nfs/dbraw/zinc/39/24/60/244392460.db2.gz NSMODBHRVKXFNR-SFHVURJKSA-N 1 1 327.428 3.013 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3O[C@H](COCc4cccnc4)CC[C@@H]32)cs1 ZINC000107205102 204228347 /nfs/dbraw/zinc/22/83/47/204228347.db2.gz ADMJLIXVQLDEEC-FHWLQOOXSA-N 1 1 344.480 3.482 40 0 EGABMO Cc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)n1 ZINC000107711953 204244456 /nfs/dbraw/zinc/24/44/56/204244456.db2.gz UVKUOMVUHHETHJ-PMACEKPBSA-N 1 1 330.472 3.188 40 0 EGABMO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3cccnc3)C2)o1 ZINC000049170040 204369420 /nfs/dbraw/zinc/36/94/20/204369420.db2.gz KIGTTYRTKRBAMV-HNNXBMFYSA-N 1 1 336.395 3.130 40 0 biogenic,in-vitro EGABMO CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[N@H+](C(C)C)CC2)n1 ZINC000095447520 218391567 /nfs/dbraw/zinc/39/15/67/218391567.db2.gz ATXBGWBHYFGFNV-UHFFFAOYSA-N 1 1 342.434 3.033 40 0 EGABMO O[C@H](C[N@H+](Cc1cn2ccsc2n1)C1CC1)c1ccc(F)cc1 ZINC000096424436 275056471 /nfs/dbraw/zinc/05/64/71/275056471.db2.gz SMUGTCWERCJJKM-MRXNPFEDSA-N 1 1 331.416 3.233 40 0 EGABMO O[C@H](C[N@@H+](Cc1cn2ccsc2n1)C1CC1)c1ccc(F)cc1 ZINC000096424436 275056472 /nfs/dbraw/zinc/05/64/72/275056472.db2.gz SMUGTCWERCJJKM-MRXNPFEDSA-N 1 1 331.416 3.233 40 0 EGABMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCOC2)cc1 ZINC000288457628 276216165 /nfs/dbraw/zinc/21/61/65/276216165.db2.gz GDCGCTFJYQPEFK-VQIMIIECSA-N 1 1 345.487 3.039 40 0 EGABMO COc1ccc([C@H](C[NH+](C)C)NCc2ccc(NC(C)=O)cc2)cc1 ZINC000241634647 455268569 /nfs/dbraw/zinc/26/85/69/455268569.db2.gz PNZXJAITYWQFHQ-FQEVSTJZSA-N 1 1 341.455 3.046 40 0 EGABMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1O ZINC000000338225 452566655 /nfs/dbraw/zinc/56/66/55/452566655.db2.gz MPYHGNAJOKCMAQ-INIZCTEOSA-N 1 1 343.423 3.190 40 0 endogenous,in-man EGABMO C[NH2+]CCCNCc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000007540220 453085238 /nfs/dbraw/zinc/08/52/38/453085238.db2.gz GKNVFIHKEIPQFX-UHFFFAOYSA-N 1 1 328.456 3.016 40 0 EGABMO COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000010311195 453286313 /nfs/dbraw/zinc/28/63/13/453286313.db2.gz SRKZRQFNLPCIDJ-GOSISDBHSA-N 1 1 338.407 3.249 40 0 EGABMO COc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c1 ZINC000012134952 453344567 /nfs/dbraw/zinc/34/45/67/453344567.db2.gz ZOTLJCDTCZQNOF-PMSBKCLSSA-N 1 1 338.451 3.210 40 0 EGABMO Cc1ccc([C@@]2(O)CCC[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@@H]32)cc1 ZINC000012186323 453346771 /nfs/dbraw/zinc/34/67/71/453346771.db2.gz LOEHXFLWUKAUCB-JBACZVJFSA-N 1 1 337.467 3.213 40 0 EGABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4ccsc4)C3)cc(N)n2n1 ZINC000012185899 453347576 /nfs/dbraw/zinc/34/75/76/453347576.db2.gz WYULBGNQBYDOQU-AWEZNQCLSA-N 1 1 327.457 3.061 40 0 EGABMO C=Cn1ncc(C[N@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)c1C ZINC000012188838 453349595 /nfs/dbraw/zinc/34/95/95/453349595.db2.gz UOCOACRGKUMYSB-IBGZPJMESA-N 1 1 329.419 3.305 40 0 EGABMO C=Cn1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c1C ZINC000012345070 453356043 /nfs/dbraw/zinc/35/60/43/453356043.db2.gz UQKSNQARIQHXFV-YOFSQIOKSA-N 1 1 341.430 3.446 40 0 EGABMO Cc1ncc2c(n1)C1(CC[NH+](Cc3ccc(F)c(F)c3)CC1)OCC2 ZINC000012337913 453357680 /nfs/dbraw/zinc/35/76/80/453357680.db2.gz AITXSRXFJGOESD-UHFFFAOYSA-N 1 1 345.393 3.127 40 0 EGABMO COc1cc(NC(=O)C[N@H+](Cc2ccccc2)C2CC2)cc(OC)c1 ZINC000025120604 453759721 /nfs/dbraw/zinc/75/97/21/453759721.db2.gz YHCDSNJZEMRBFF-UHFFFAOYSA-N 1 1 340.423 3.307 40 0 EGABMO COc1cc(NC(=O)C[N@@H+](Cc2ccccc2)C2CC2)cc(OC)c1 ZINC000025120604 453759723 /nfs/dbraw/zinc/75/97/23/453759723.db2.gz YHCDSNJZEMRBFF-UHFFFAOYSA-N 1 1 340.423 3.307 40 0 EGABMO Cc1csc2nc(C[N@H+]3CCC[C@H]3Cc3ccccc3)cc(=O)n12 ZINC000025440491 453773006 /nfs/dbraw/zinc/77/30/06/453773006.db2.gz DRCNYXUFZAARHI-KRWDZBQOSA-N 1 1 339.464 3.272 40 0 EGABMO C[C@H]([C@@H](O)c1cc2c(c3ccccc31)CCCC2)[NH+]1CCOCC1 ZINC000031912065 453858114 /nfs/dbraw/zinc/85/81/14/453858114.db2.gz QIPKXIYOBUBCAW-QVKFZJNVSA-N 1 1 325.452 3.473 40 0 EGABMO CCOc1cc([C@@H]([NH3+])c2nnc(-c3cccc(C)c3)[nH]2)ccc1OC ZINC000095534459 454229935 /nfs/dbraw/zinc/22/99/35/454229935.db2.gz IHHZKKLSMUVKKK-QGZVFWFLSA-N 1 1 338.411 3.236 40 0 EGABMO c1csc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096041710 454266547 /nfs/dbraw/zinc/26/65/47/454266547.db2.gz WCWGGFRSJMYLRX-RCCFBDPRSA-N 1 1 330.453 3.092 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096041710 454266551 /nfs/dbraw/zinc/26/65/51/454266551.db2.gz WCWGGFRSJMYLRX-RCCFBDPRSA-N 1 1 330.453 3.092 40 0 EGABMO c1csc(C[N@H+]2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)c1 ZINC000096045977 454268251 /nfs/dbraw/zinc/26/82/51/454268251.db2.gz KISYTDYPESSDAH-AEGPPILISA-N 1 1 331.441 3.361 40 0 EGABMO O=C(c1cccnc1)N1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC000096046661 454269490 /nfs/dbraw/zinc/26/94/90/454269490.db2.gz NORQWKUIJFYTDU-UHFFFAOYSA-N 1 1 341.480 3.271 40 0 EGABMO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096048652 454271526 /nfs/dbraw/zinc/27/15/26/454271526.db2.gz LUBVFVJPRNIBIE-IBGZPJMESA-N 1 1 341.480 3.158 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)o1 ZINC000096048249 454271775 /nfs/dbraw/zinc/27/17/75/454271775.db2.gz PABVQIWQFIOTEN-RBUKOAKNSA-N 1 1 328.412 3.186 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096050724 454272227 /nfs/dbraw/zinc/27/22/27/454272227.db2.gz LHSVGRLEFAVCRZ-LJQANCHMSA-N 1 1 343.402 3.060 40 0 EGABMO Cc1nc(CN2C[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]3C2)cs1 ZINC000096053867 454272906 /nfs/dbraw/zinc/27/29/06/454272906.db2.gz KOGNKYBZULBAMP-IYBDPMFKSA-N 1 1 331.460 3.154 40 0 EGABMO COc1cccc([C@@H]2[C@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)c1 ZINC000072227514 454275053 /nfs/dbraw/zinc/27/50/53/454275053.db2.gz LKQZRPIPUCPULM-LSDHHAIUSA-N 1 1 336.313 3.129 40 0 EGABMO CNc1cc(C)c([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072219049 454275741 /nfs/dbraw/zinc/27/57/41/454275741.db2.gz MMDUXSULQHNOFO-QGZVFWFLSA-N 1 1 345.468 3.266 40 0 EGABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000072227921 454276223 /nfs/dbraw/zinc/27/62/23/454276223.db2.gz MWNLUKWEXPQSBC-CABCVRRESA-N 1 1 337.206 3.417 40 0 EGABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000072227925 454276348 /nfs/dbraw/zinc/27/63/48/454276348.db2.gz MZOHOFIWGRDEFC-CABCVRRESA-N 1 1 337.206 3.417 40 0 EGABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000072227918 454276535 /nfs/dbraw/zinc/27/65/35/454276535.db2.gz MWNLUKWEXPQSBC-LSDHHAIUSA-N 1 1 337.206 3.417 40 0 EGABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000072227923 454276774 /nfs/dbraw/zinc/27/67/74/454276774.db2.gz MZOHOFIWGRDEFC-GJZGRUSLSA-N 1 1 337.206 3.417 40 0 EGABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Br)cc2)cc1 ZINC000072228016 454276824 /nfs/dbraw/zinc/27/68/24/454276824.db2.gz NMEQOPGLCFICEN-HZPDHXFCSA-N 1 1 345.240 3.427 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)o1 ZINC000096061686 454276859 /nfs/dbraw/zinc/27/68/59/454276859.db2.gz IALCRPHUYBNZKN-RTWAWAEBSA-N 1 1 340.467 3.106 40 0 EGABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1ccc(F)cc1)[C@H]2C ZINC000096061979 454278970 /nfs/dbraw/zinc/27/89/70/454278970.db2.gz SSGDQXGGAPFGCC-HNNXBMFYSA-N 1 1 330.451 3.439 40 0 EGABMO Cc1nc[nH]c1CN1CCC2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000096090119 454281404 /nfs/dbraw/zinc/28/14/04/454281404.db2.gz VKLOBESQTBCJEV-UHFFFAOYSA-N 1 1 342.462 3.488 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)s1 ZINC000096108868 454285390 /nfs/dbraw/zinc/28/53/90/454285390.db2.gz WWOLCKFNQZFBPR-IEBWSBKVSA-N 1 1 344.480 3.117 40 0 EGABMO Fc1cccnc1O[C@H]1CO[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096107856 454285652 /nfs/dbraw/zinc/28/56/52/454285652.db2.gz AWBHUGMPHIJDDR-PBHICJAKSA-N 1 1 334.416 3.095 40 0 EGABMO O=C(c1cccnc1)N1CCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC000096158166 454295188 /nfs/dbraw/zinc/29/51/88/454295188.db2.gz AWRBJIGKOWJWGV-HXUWFJFHSA-N 1 1 327.472 3.200 40 0 EGABMO CN(Cc1cccnc1)[C@@H]1C[N@@H+](Cc2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096185997 454299270 /nfs/dbraw/zinc/29/92/70/454299270.db2.gz NPTOZEKDICTOTD-QRVBRYPASA-N 1 1 343.496 3.007 40 0 EGABMO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](Cc1nccs1)CC2 ZINC000096199642 454302965 /nfs/dbraw/zinc/30/29/65/454302965.db2.gz QSUDMBSCWBGAGH-INIZCTEOSA-N 1 1 341.480 3.124 40 0 EGABMO Cc1cccc(C[N@@H+]2CCN(Cc3cccnc3)c3ncccc3C2)n1 ZINC000096198943 454303060 /nfs/dbraw/zinc/30/30/60/454303060.db2.gz LNOUDCPAPMEHOB-UHFFFAOYSA-N 1 1 345.450 3.202 40 0 EGABMO Cc1cccc(C[N@H+]2CCN(Cc3cccnc3)c3ncccc3C2)n1 ZINC000096198943 454303062 /nfs/dbraw/zinc/30/30/62/454303062.db2.gz LNOUDCPAPMEHOB-UHFFFAOYSA-N 1 1 345.450 3.202 40 0 EGABMO O=C(CC1CC1)N1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216460 454306829 /nfs/dbraw/zinc/30/68/29/454306829.db2.gz JBDFTOBZAFVNLU-NRFANRHFSA-N 1 1 342.483 3.180 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3CNc2cccnc2)c1 ZINC000096250152 454312085 /nfs/dbraw/zinc/31/20/85/454312085.db2.gz XUQQWUWQNBINAV-BMGDILEWSA-N 1 1 329.469 3.235 40 0 EGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1Cl ZINC000047227893 454343175 /nfs/dbraw/zinc/34/31/75/454343175.db2.gz KSVWRNUPXKPJNH-UHFFFAOYSA-N 1 1 344.842 3.102 40 0 EGABMO Cc1ccc(C)c(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000047227820 454343354 /nfs/dbraw/zinc/34/33/54/454343354.db2.gz DAAHBCVBARIVDV-UHFFFAOYSA-N 1 1 338.451 3.066 40 0 EGABMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000096445619 454352867 /nfs/dbraw/zinc/35/28/67/454352867.db2.gz WRAJMOWYQWEXMX-KRWDZBQOSA-N 1 1 343.402 3.223 40 0 EGABMO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000096445619 454352869 /nfs/dbraw/zinc/35/28/69/454352869.db2.gz WRAJMOWYQWEXMX-KRWDZBQOSA-N 1 1 343.402 3.223 40 0 EGABMO O=C(CCc1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000047339772 454360115 /nfs/dbraw/zinc/36/01/15/454360115.db2.gz MQEPKBMDIODJJP-UHFFFAOYSA-N 1 1 326.415 3.103 40 0 EGABMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1NCc1cccc(F)c1F ZINC000096482846 454365242 /nfs/dbraw/zinc/36/52/42/454365242.db2.gz SDIRDSLNOHEGFH-QGZVFWFLSA-N 1 1 345.393 3.027 40 0 EGABMO COc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2C)c(Br)c1 ZINC000096493499 454369969 /nfs/dbraw/zinc/36/99/69/454369969.db2.gz KQDMMXWTXAJZAC-SNVBAGLBSA-N 1 1 338.249 3.350 40 0 EGABMO C[C@H](CO)[N@@H+]1Cc2cccc(NC(=O)c3cccc4ncccc43)c2C1 ZINC000096502604 454372952 /nfs/dbraw/zinc/37/29/52/454372952.db2.gz NMKAJUMDMOJIQE-CQSZACIVSA-N 1 1 347.418 3.184 40 0 EGABMO C[C@H](CO)[N@H+]1Cc2cccc(NC(=O)c3cccc4ncccc43)c2C1 ZINC000096502604 454372957 /nfs/dbraw/zinc/37/29/57/454372957.db2.gz NMKAJUMDMOJIQE-CQSZACIVSA-N 1 1 347.418 3.184 40 0 EGABMO COc1cccc(-c2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)c1 ZINC000097103462 454407153 /nfs/dbraw/zinc/40/71/53/454407153.db2.gz JCVKPNXTJPRGAV-INIZCTEOSA-N 1 1 329.400 3.061 40 0 EGABMO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccccn1 ZINC000097231550 454427769 /nfs/dbraw/zinc/42/77/69/454427769.db2.gz MIRSCLNRESJXPM-ZBEGNZNMSA-N 1 1 333.794 3.330 40 0 EGABMO CCc1noc([C@@H](C)N2CC[NH+](C/C(C)=C/c3ccccc3)CC2)n1 ZINC000121393950 454429548 /nfs/dbraw/zinc/42/95/48/454429548.db2.gz RCJAWTICUGBYTE-FYPAKXHLSA-N 1 1 340.471 3.414 40 0 EGABMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)C[C@H]2C=CCC2)C1 ZINC000097372880 454434595 /nfs/dbraw/zinc/43/45/95/454434595.db2.gz NSNNDSHERLTDDG-HNNXBMFYSA-N 1 1 328.456 3.110 40 0 EGABMO Cc1nc(-c2ccccn2)sc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000065402424 454560266 /nfs/dbraw/zinc/56/02/66/454560266.db2.gz DDTPRKJOWQQMTR-CYBMUJFWSA-N 1 1 344.484 3.118 40 0 EGABMO Cc1cnc([C@@H]([NH2+]Cc2cccc(C(=O)N(C)C)c2)C2CC2)s1 ZINC000185357105 455547305 /nfs/dbraw/zinc/54/73/05/455547305.db2.gz WNCHCLUOEOSNNH-INIZCTEOSA-N 1 1 329.469 3.394 40 0 EGABMO c1csc(C[N@H+]2CCO[C@@H]3[C@H]2CC[C@H]3COCc2cccnc2)c1 ZINC000247905448 455653526 /nfs/dbraw/zinc/65/35/26/455653526.db2.gz WZXVJEOOMLPWFT-UHOSZYNNSA-N 1 1 344.480 3.339 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@@H]3[C@H]2CC[C@H]3COCc2cccnc2)c1 ZINC000247905448 455653532 /nfs/dbraw/zinc/65/35/32/455653532.db2.gz WZXVJEOOMLPWFT-UHOSZYNNSA-N 1 1 344.480 3.339 40 0 EGABMO c1cc(C[N@H+]2CCO[C@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cs1 ZINC000247915805 455654564 /nfs/dbraw/zinc/65/45/64/455654564.db2.gz ZJPAPYSHJOXXQW-FHWLQOOXSA-N 1 1 344.480 3.339 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cs1 ZINC000247915805 455654575 /nfs/dbraw/zinc/65/45/75/455654575.db2.gz ZJPAPYSHJOXXQW-FHWLQOOXSA-N 1 1 344.480 3.339 40 0 EGABMO c1cc2c(cccc2C[NH+]2CC3(C2)OCC[C@H]3COc2ccccn2)[nH]1 ZINC000248073979 455678494 /nfs/dbraw/zinc/67/84/94/455678494.db2.gz HUUUTZYLAOWKCA-KRWDZBQOSA-N 1 1 349.434 3.233 40 0 EGABMO CCn1cncc1C[N@H+]1C[C@@H]2CCC[C@](O)(c3ccc(C)cc3)[C@H]2C1 ZINC000248095582 455680412 /nfs/dbraw/zinc/68/04/12/455680412.db2.gz NXAYDVCQUNHBFR-YYWHXJBOSA-N 1 1 339.483 3.331 40 0 EGABMO Cc1ccc([C@]2(O)CCC[C@@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@H]32)cc1 ZINC000248088024 455680699 /nfs/dbraw/zinc/68/06/99/455680699.db2.gz LOEHXFLWUKAUCB-HMXCVIKNSA-N 1 1 337.467 3.213 40 0 EGABMO CC(C)(C)n1ncnc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000253392402 455836838 /nfs/dbraw/zinc/83/68/38/455836838.db2.gz SVMWKCIUZXUFLZ-HOTGVXAUSA-N 1 1 346.475 3.494 40 0 EGABMO CC(C)(C)n1ncnc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000253392402 455836845 /nfs/dbraw/zinc/83/68/45/455836845.db2.gz SVMWKCIUZXUFLZ-HOTGVXAUSA-N 1 1 346.475 3.494 40 0 EGABMO CC(=O)NC[C@H]1CCC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000194439929 455842417 /nfs/dbraw/zinc/84/24/17/455842417.db2.gz GRLXNWHCTPSIDR-CQSZACIVSA-N 1 1 329.271 3.384 40 0 EGABMO Cc1c[nH]c(-c2cc(C[C@H]3CCC[N@@H+](Cc4cccnc4)C3)ncn2)n1 ZINC000257297487 455885602 /nfs/dbraw/zinc/88/56/02/455885602.db2.gz RHLCEXUOMSKBBS-MRXNPFEDSA-N 1 1 348.454 3.025 40 0 EGABMO CC(=O)NCc1cc([C@H]2CCC[N@H+]2CCc2ccc(F)cc2)ccn1 ZINC000257330531 455892490 /nfs/dbraw/zinc/89/24/90/455892490.db2.gz XOTQTXUVSPHHPO-HXUWFJFHSA-N 1 1 341.430 3.236 40 0 EGABMO Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)c2ccccc2n1 ZINC000195557777 455984936 /nfs/dbraw/zinc/98/49/36/455984936.db2.gz ZNWDAMFYUZIYRK-LJQANCHMSA-N 1 1 339.439 3.125 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ncccc1OC ZINC000225585244 456094922 /nfs/dbraw/zinc/09/49/22/456094922.db2.gz SLVJZSDLIZYVEG-AWEZNQCLSA-N 1 1 336.505 3.031 40 0 EGABMO O=C(c1ccccc1F)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408611514 457584296 /nfs/dbraw/zinc/58/42/96/457584296.db2.gz SSAIWROSAVTOKG-GOSISDBHSA-N 1 1 338.426 3.489 40 0 EGABMO O=C(c1ccc(F)cc1)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408610654 457584395 /nfs/dbraw/zinc/58/43/95/457584395.db2.gz QZJVULCSQAERLO-HXUWFJFHSA-N 1 1 338.426 3.489 40 0 EGABMO O=C(C[C@@H]1Cn2cccc2C[N@H+](C2CCCC2)C1)NCc1ccco1 ZINC000585099144 459822641 /nfs/dbraw/zinc/82/26/41/459822641.db2.gz POLLNTHJYWFTQE-MRXNPFEDSA-N 1 1 341.455 3.162 40 0 EGABMO c1cc2n(c1)C[C@H](CCNc1ccccn1)C[N@H+](Cc1ccccn1)C2 ZINC000585095519 459823366 /nfs/dbraw/zinc/82/33/66/459823366.db2.gz VCCAYZFOWPTPGM-GOSISDBHSA-N 1 1 347.466 3.412 40 0 EGABMO COc1ccc(OC)c(C(=O)N2CCC[C@@]3(CC[N@H+]3CC(C)C)C2)c1 ZINC000585101797 459823876 /nfs/dbraw/zinc/82/38/76/459823876.db2.gz HBUMAJDEKHPLGZ-HXUWFJFHSA-N 1 1 346.471 3.040 40 0 EGABMO CC[C@H](C)[N@H+]1CCOC[C@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585103643 459824352 /nfs/dbraw/zinc/82/43/52/459824352.db2.gz DZDZEJYYNNLVES-SQGPQFPESA-N 1 1 330.472 3.097 40 0 EGABMO COC[C@@H]1CN(Cc2csc(C)n2)CC12CC[NH+](C1CCC1)CC2 ZINC000585102738 459824380 /nfs/dbraw/zinc/82/43/80/459824380.db2.gz CPAUKTVCCDWDCL-INIZCTEOSA-N 1 1 349.544 3.164 40 0 EGABMO CC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 ZINC000585109809 459825234 /nfs/dbraw/zinc/82/52/34/459825234.db2.gz WMLQUPNRUUOMOA-QRKUABHPSA-N 1 1 335.451 3.380 40 0 EGABMO CCc1nc(C)c(C[N@H+]2CC[C@H](OC)[C@H](Cc3ccccc3)C2)[nH]1 ZINC000585279523 459832103 /nfs/dbraw/zinc/83/21/03/459832103.db2.gz ZIKDTIARMWSLSN-MJGOQNOKSA-N 1 1 327.472 3.360 40 0 EGABMO C[N@H+](C(c1ccccc1)c1ccccc1)[C@]1(C)CCS(=O)(=O)C1 ZINC000575419588 459974401 /nfs/dbraw/zinc/97/44/01/459974401.db2.gz VZILMSXEIXVPGN-LJQANCHMSA-N 1 1 329.465 3.285 40 0 EGABMO C[N@@H+](C(c1ccccc1)c1ccccc1)[C@]1(C)CCS(=O)(=O)C1 ZINC000575419588 459974406 /nfs/dbraw/zinc/97/44/06/459974406.db2.gz VZILMSXEIXVPGN-LJQANCHMSA-N 1 1 329.465 3.285 40 0 EGABMO COc1cccc(C(=O)N2CCCCC[C@@H]3[N@@H+](C)CC[C@@]32C)c1OC ZINC000257254620 537080423 /nfs/dbraw/zinc/08/04/23/537080423.db2.gz KDYTTYXCQBMVME-PXNSSMCTSA-N 1 1 346.471 3.183 40 0 EGABMO c1cc(N2CCCC2)cn2nc([C@@H]3CCC[N@H+](C4CCC4)C3)nc12 ZINC000306127346 547459997 /nfs/dbraw/zinc/45/99/97/547459997.db2.gz FWKQIEPVSUOWGQ-OAHLLOKOSA-N 1 1 325.460 3.061 40 0 EGABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1OCc1ccccn1 ZINC000019575798 202013055 /nfs/dbraw/zinc/01/30/55/202013055.db2.gz PSALXLDQUOSPMJ-FXAWDEMLSA-N 1 1 337.467 3.329 40 0 EGABMO COCCc1ncc(C[NH+]2CCC(Oc3ccccc3C)CC2)cn1 ZINC000019658678 202015512 /nfs/dbraw/zinc/01/55/12/202015512.db2.gz NFSFCZITXBRWBL-UHFFFAOYSA-N 1 1 341.455 3.017 40 0 EGABMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)nc2)CC1 ZINC000023638580 202106984 /nfs/dbraw/zinc/10/69/84/202106984.db2.gz FNHKBHHDVSNIPR-UHFFFAOYSA-N 1 1 329.831 3.001 40 0 EGABMO O=C(CCc1ccc(F)cc1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029839708 202191625 /nfs/dbraw/zinc/19/16/25/202191625.db2.gz ZCQAZIUZFHSHJS-UHFFFAOYSA-N 1 1 340.442 3.323 40 0 EGABMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1csc2c1CCCC2 ZINC000031337579 202204766 /nfs/dbraw/zinc/20/47/66/202204766.db2.gz YAWMYFQGUWDVRF-UHFFFAOYSA-N 1 1 340.492 3.415 40 0 EGABMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1csc2c1CCCC2 ZINC000031337579 202204769 /nfs/dbraw/zinc/20/47/69/202204769.db2.gz YAWMYFQGUWDVRF-UHFFFAOYSA-N 1 1 340.492 3.415 40 0 EGABMO CNC(=O)c1ccc(C[N@@H+]2CCSC[C@@H]2c2ccc(C)o2)cc1 ZINC000076011808 202379442 /nfs/dbraw/zinc/37/94/42/202379442.db2.gz KVHMNFWFMSOXRZ-MRXNPFEDSA-N 1 1 330.453 3.238 40 0 EGABMO CNC(=O)c1ccc(C[N@H+]2CCSC[C@@H]2c2ccc(C)o2)cc1 ZINC000076011808 202379445 /nfs/dbraw/zinc/37/94/45/202379445.db2.gz KVHMNFWFMSOXRZ-MRXNPFEDSA-N 1 1 330.453 3.238 40 0 EGABMO CC(C)(C)OC(=O)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252487481 201183408 /nfs/dbraw/zinc/18/34/08/201183408.db2.gz YKNYBBXOYYPXBJ-ROUUACIJSA-N 1 1 330.472 3.358 40 0 EGABMO C[C@@H](NC(=O)Nc1ccccc1OCC(F)F)C1=CC[N@@H+](C)CC1 ZINC000272664459 201252400 /nfs/dbraw/zinc/25/24/00/201252400.db2.gz IUUYYFGENGDCEC-GFCCVEGCSA-N 1 1 339.386 3.102 40 0 EGABMO C[C@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000225586747 241938149 /nfs/dbraw/zinc/93/81/49/241938149.db2.gz CBIBFDFGJREGDU-LBPRGKRZSA-N 1 1 330.350 3.298 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(OC)c(C)c1 ZINC000225754559 242019371 /nfs/dbraw/zinc/01/93/71/242019371.db2.gz JQUYCJMPAYLADW-SFHVURJKSA-N 1 1 332.488 3.317 40 0 EGABMO CC[N@H+](CCSC(C)C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000252489577 243794435 /nfs/dbraw/zinc/79/44/35/243794435.db2.gz JUGGNRWIKPXABM-UHFFFAOYSA-N 1 1 337.489 3.047 40 0 EGABMO CC[N@@H+](CCSC(C)C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000252489577 243794438 /nfs/dbraw/zinc/79/44/38/243794438.db2.gz JUGGNRWIKPXABM-UHFFFAOYSA-N 1 1 337.489 3.047 40 0 EGABMO c1csc(C[N@H+]2Cc3ccnn3C[C@H](CNc3ccccn3)C2)c1 ZINC000253588814 244024353 /nfs/dbraw/zinc/02/43/53/244024353.db2.gz UANJHQDFWZZSGJ-OAHLLOKOSA-N 1 1 339.468 3.084 40 0 EGABMO c1csc(C[N@@H+]2Cc3ccnn3C[C@H](CNc3ccccn3)C2)c1 ZINC000253588814 244024359 /nfs/dbraw/zinc/02/43/59/244024359.db2.gz UANJHQDFWZZSGJ-OAHLLOKOSA-N 1 1 339.468 3.084 40 0 EGABMO CC[N@H+]1CCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCOC ZINC000072370375 203209270 /nfs/dbraw/zinc/20/92/70/203209270.db2.gz FQPKOQBOFJQBQZ-CQSZACIVSA-N 1 1 346.496 3.304 40 0 EGABMO CCn1cncc1C[N@H+]1C[C@@H]2CCC[C@](O)(c3ccc(C)cc3)[C@@H]2C1 ZINC000072340453 203202968 /nfs/dbraw/zinc/20/29/68/203202968.db2.gz NXAYDVCQUNHBFR-WMQCIHAUSA-N 1 1 339.483 3.331 40 0 EGABMO Cc1cc(CCC(=O)Nc2ncccc2C)cc([C@H]2CCC[N@@H+]2C)n1 ZINC000072366966 203208315 /nfs/dbraw/zinc/20/83/15/203208315.db2.gz CJOONPBNDULMMY-GOSISDBHSA-N 1 1 338.455 3.431 40 0 EGABMO COc1cccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072369869 203208490 /nfs/dbraw/zinc/20/84/90/203208490.db2.gz FCEIHYIEJPABSQ-MRXNPFEDSA-N 1 1 336.395 3.130 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(CNC(C)=O)c2)cc1 ZINC000257250656 244269078 /nfs/dbraw/zinc/26/90/78/244269078.db2.gz JNLJHLPONJITHU-FQEVSTJZSA-N 1 1 339.439 3.063 40 0 EGABMO Cc1cc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cscn3)C2)on1 ZINC000072389428 203214179 /nfs/dbraw/zinc/21/41/79/203214179.db2.gz PQMAEFAVUKUSAT-GFCCVEGCSA-N 1 1 329.429 3.209 40 0 EGABMO Cc1cc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cscn3)C2)on1 ZINC000072389428 203214183 /nfs/dbraw/zinc/21/41/83/203214183.db2.gz PQMAEFAVUKUSAT-GFCCVEGCSA-N 1 1 329.429 3.209 40 0 EGABMO c1ccc2nc(C[N@@H+]3C[C@@H]4[C@H](Nc5cccnn5)CC[C@@H]4C3)ccc2c1 ZINC000257258398 244289348 /nfs/dbraw/zinc/28/93/48/244289348.db2.gz KTSAAPYPBDOWBD-IMFGXOCKSA-N 1 1 345.450 3.347 40 0 EGABMO COc1cccc(C[N@H+]2CCC[C@H]2c2ccnc(CNC(C)=O)c2)c1 ZINC000257270047 244373276 /nfs/dbraw/zinc/37/32/76/244373276.db2.gz MSOKRFTVEMXIGY-FQEVSTJZSA-N 1 1 339.439 3.063 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)cs1 ZINC000107205046 204228712 /nfs/dbraw/zinc/22/87/12/204228712.db2.gz DNFJIWHKEWFAND-BZSNNMDCSA-N 1 1 330.453 3.344 40 0 EGABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccco4)C3)o2)cc1 ZINC000049170206 204369510 /nfs/dbraw/zinc/36/95/10/204369510.db2.gz UFYUJCLHIAFSKJ-HNNXBMFYSA-N 1 1 338.411 3.385 40 0 biogenic,in-vitro EGABMO Cn1c2ccccc2nc1[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000049171192 204370268 /nfs/dbraw/zinc/37/02/68/204370268.db2.gz DIRCCPTZFPRNEX-HNNXBMFYSA-N 1 1 335.407 3.292 40 0 biogenic,in-vitro EGABMO Cc1cc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000052723646 206078699 /nfs/dbraw/zinc/07/86/99/206078699.db2.gz LZGJAAGRSGIJBW-UHFFFAOYSA-N 1 1 339.361 3.320 40 0 EGABMO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096224317 218699846 /nfs/dbraw/zinc/69/98/46/218699846.db2.gz ASEREPJIONKQMT-LJQANCHMSA-N 1 1 341.480 3.158 40 0 EGABMO Cc1ncccc1C[N@H+](C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000096490027 218866513 /nfs/dbraw/zinc/86/65/13/218866513.db2.gz OGELUYCUHFVOAV-UHFFFAOYSA-N 1 1 347.466 3.434 40 0 EGABMO CC(C)CC(=O)N[C@@H]1CC2(CC[NH+](CCF)CC2)Oc2ccccc21 ZINC000096242743 278719953 /nfs/dbraw/zinc/71/99/53/278719953.db2.gz XZOWQDPSQYIVHO-QGZVFWFLSA-N 1 1 348.462 3.477 40 0 EGABMO COc1ccccc1[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCCCCC1 ZINC000004968369 295386284 /nfs/dbraw/zinc/38/62/84/295386284.db2.gz ORHDJIHMVXRYQO-KRWDZBQOSA-N 1 1 343.475 3.402 40 0 EGABMO NC(=O)CC[C@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000096451988 454356322 /nfs/dbraw/zinc/35/63/22/454356322.db2.gz AUXYBIUVMATAKF-LLVKDONJSA-N 1 1 343.240 3.066 40 0 EGABMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000096451988 454356326 /nfs/dbraw/zinc/35/63/26/454356326.db2.gz AUXYBIUVMATAKF-LLVKDONJSA-N 1 1 343.240 3.066 40 0 EGABMO O=C(CCc1cncc(F)c1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000097102290 323214636 /nfs/dbraw/zinc/21/46/36/323214636.db2.gz LYHLFOMCWQWRNA-GOSISDBHSA-N 1 1 339.414 3.165 40 0 EGABMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000097230913 323215266 /nfs/dbraw/zinc/21/52/66/323215266.db2.gz OAJOQUIFTPQXQU-MRXNPFEDSA-N 1 1 349.906 3.240 40 0 EGABMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccoc1C1CC1 ZINC000241170995 455266258 /nfs/dbraw/zinc/26/62/58/455266258.db2.gz KDJZVIGYJRSXAQ-KSSFIOAISA-N 1 1 339.439 3.192 40 0 EGABMO Cc1cccc(NCn2c3ccc(Br)cc3oc2=O)[nH+]1 ZINC000001435707 452665443 /nfs/dbraw/zinc/66/54/43/452665443.db2.gz XFMNQCYXEACOTG-UHFFFAOYSA-N 1 1 334.173 3.130 40 0 EGABMO CC(C)c1ncc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cn1 ZINC000012240522 453351607 /nfs/dbraw/zinc/35/16/07/453351607.db2.gz URAPLUCGYQCAHF-UHFFFAOYSA-N 1 1 329.419 3.223 40 0 EGABMO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CCC[C@@H](C)C3)ccc21 ZINC000012291370 453354425 /nfs/dbraw/zinc/35/44/25/453354425.db2.gz OPSKSEGKNBSNDR-UZLBHIALSA-N 1 1 344.499 3.387 40 0 EGABMO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000012763526 453401500 /nfs/dbraw/zinc/40/15/00/453401500.db2.gz SAJVXEOQRVZGIS-WMLDXEAASA-N 1 1 338.879 3.346 40 0 EGABMO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000012763526 453401507 /nfs/dbraw/zinc/40/15/07/453401507.db2.gz SAJVXEOQRVZGIS-WMLDXEAASA-N 1 1 338.879 3.346 40 0 EGABMO C[N@H+]1CCc2cc(Br)c(O)cc2[C@@H](c2ccc(N)cc2)C1 ZINC000013446577 453465334 /nfs/dbraw/zinc/46/53/34/453465334.db2.gz JJKVHQGSRGJOOG-OAHLLOKOSA-N 1 1 347.256 3.357 40 0 EGABMO C[C@H](NC(=O)C[N@H+](C)CCOc1ccccc1F)c1ccccc1 ZINC000014135388 453508871 /nfs/dbraw/zinc/50/88/71/453508871.db2.gz GQDIUXDNHZOMRT-HNNXBMFYSA-N 1 1 330.403 3.014 40 0 EGABMO C[C@H](NC(=O)C[N@@H+](C)CCOc1ccccc1F)c1ccccc1 ZINC000014135388 453508877 /nfs/dbraw/zinc/50/88/77/453508877.db2.gz GQDIUXDNHZOMRT-HNNXBMFYSA-N 1 1 330.403 3.014 40 0 EGABMO C[C@H]1C[NH+](Cc2ccc(C(=O)NC(C3CC3)C3CC3)cc2)C[C@H](C)O1 ZINC000025093693 453758244 /nfs/dbraw/zinc/75/82/44/453758244.db2.gz LLVAVKZDBOZQLL-GJZGRUSLSA-N 1 1 342.483 3.214 40 0 EGABMO COc1cc(C[N@@H+](C)C[C@@H](O)c2ccccc2)ccc1OC(F)F ZINC000025702280 453782930 /nfs/dbraw/zinc/78/29/30/453782930.db2.gz XEZVHACTMHITCR-OAHLLOKOSA-N 1 1 337.366 3.462 40 0 EGABMO O=C(COc1ccc(-c2ccccc2)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000028233481 453822759 /nfs/dbraw/zinc/82/27/59/453822759.db2.gz JXXOAVBUUJIRHP-LJQANCHMSA-N 1 1 336.435 3.039 40 0 EGABMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccccc1)c1ccsc1 ZINC000030435267 453835876 /nfs/dbraw/zinc/83/58/76/453835876.db2.gz UPDPZDDOCYYHQB-MRXNPFEDSA-N 1 1 338.498 3.110 40 0 EGABMO Cc1ccc(C(=O)N2CC[NH+](CCCc3ccccc3)CC2)s1 ZINC000055929497 454026347 /nfs/dbraw/zinc/02/63/47/454026347.db2.gz AWTGSOWRNQYSIK-UHFFFAOYSA-N 1 1 328.481 3.447 40 0 EGABMO OCC[N@H+](Cc1cccnc1)Cc1ccc2cccc(Cl)c2n1 ZINC000056695904 454074959 /nfs/dbraw/zinc/07/49/59/454074959.db2.gz VBLOBDNLYPHRNQ-UHFFFAOYSA-N 1 1 327.815 3.278 40 0 EGABMO OCC[N@@H+](Cc1cccnc1)Cc1ccc2cccc(Cl)c2n1 ZINC000056695904 454074961 /nfs/dbraw/zinc/07/49/61/454074961.db2.gz VBLOBDNLYPHRNQ-UHFFFAOYSA-N 1 1 327.815 3.278 40 0 EGABMO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000096039141 454265540 /nfs/dbraw/zinc/26/55/40/454265540.db2.gz CIKOGMGUTKCFOG-WOJBJXKFSA-N 1 1 326.440 3.252 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)s1 ZINC000096041717 454266813 /nfs/dbraw/zinc/26/68/13/454266813.db2.gz FASLJPYCPPGTNK-IPMKNSEASA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)s1 ZINC000096041717 454266818 /nfs/dbraw/zinc/26/68/18/454266818.db2.gz FASLJPYCPPGTNK-IPMKNSEASA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](COCC3CC3)C2)s1 ZINC000096044197 454268486 /nfs/dbraw/zinc/26/84/86/454268486.db2.gz RHLBQDVUDYWEIC-MRXNPFEDSA-N 1 1 331.485 3.312 40 0 EGABMO Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2ccccc2)CCO3)o1 ZINC000096048951 454271375 /nfs/dbraw/zinc/27/13/75/454271375.db2.gz PPLOTFIRAADNNL-UHFFFAOYSA-N 1 1 340.467 3.455 40 0 EGABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccccn1)CC2 ZINC000096051590 454272763 /nfs/dbraw/zinc/27/27/63/454272763.db2.gz SSKOPQGXDIYBBZ-GOSISDBHSA-N 1 1 339.439 3.191 40 0 EGABMO CC[C@@H]1[N@@H+](Cc2ccsc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052435 454272875 /nfs/dbraw/zinc/27/28/75/454272875.db2.gz JBFOSICVZPLISV-WMZOPIPTSA-N 1 1 336.501 3.130 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)s1 ZINC000096058082 454274244 /nfs/dbraw/zinc/27/42/44/454274244.db2.gz HAPFYSLCMVTPIO-BZSNNMDCSA-N 1 1 330.453 3.262 40 0 EGABMO Cc1[nH+]c(N2CCOCC2)ccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072219623 454274868 /nfs/dbraw/zinc/27/48/68/454274868.db2.gz VCRHPWVBOREKGS-MRXNPFEDSA-N 1 1 347.459 3.299 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)s1 ZINC000096054186 454275107 /nfs/dbraw/zinc/27/51/07/454275107.db2.gz SSUQFGWNRSOTPN-ZBFHGGJFSA-N 1 1 330.453 3.386 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)cc1 ZINC000096057003 454275217 /nfs/dbraw/zinc/27/52/17/454275217.db2.gz BSSPCZNYZFNVOZ-NHCUHLMSSA-N 1 1 345.483 3.493 40 0 EGABMO Cc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000072227273 454275571 /nfs/dbraw/zinc/27/55/71/454275571.db2.gz WMQMBOIESGTOOL-CABCVRRESA-N 1 1 331.213 3.173 40 0 EGABMO COc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000072227498 454275679 /nfs/dbraw/zinc/27/56/79/454275679.db2.gz PGBCKQVVCPMWNH-LSDHHAIUSA-N 1 1 336.313 3.129 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC000096077397 454280373 /nfs/dbraw/zinc/28/03/73/454280373.db2.gz ARYFIXFPDLVYBQ-HXUWFJFHSA-N 1 1 339.439 3.229 40 0 EGABMO Cc1ccsc1C[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096107757 454285583 /nfs/dbraw/zinc/28/55/83/454285583.db2.gz SUMYWSDMHSVCDH-AEFFLSMTSA-N 1 1 330.453 3.264 40 0 EGABMO Cc1occc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096158088 454294617 /nfs/dbraw/zinc/29/46/17/454294617.db2.gz AAAWNMVUUBFAGB-SFHVURJKSA-N 1 1 345.468 3.173 40 0 EGABMO Cc1occc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096158088 454294619 /nfs/dbraw/zinc/29/46/19/454294619.db2.gz AAAWNMVUUBFAGB-SFHVURJKSA-N 1 1 345.468 3.173 40 0 EGABMO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccsc2)n1 ZINC000096186526 454300365 /nfs/dbraw/zinc/30/03/65/454300365.db2.gz SNCOQKILUQRCML-QZTJIDSGSA-N 1 1 341.480 3.217 40 0 EGABMO Cc1ccc(CN2CCn3cc(C[NH+]4CCCCC4)nc3C2)s1 ZINC000096197256 454300849 /nfs/dbraw/zinc/30/08/49/454300849.db2.gz HYBSPNOIZJADPE-UHFFFAOYSA-N 1 1 330.501 3.255 40 0 EGABMO CCOC[C@@H]1CCC2(CCN(C(=O)c3ccc(C)s3)CC2)[N@H+]1C ZINC000096207228 454304144 /nfs/dbraw/zinc/30/41/44/454304144.db2.gz KWVTZLVIPTVART-HNNXBMFYSA-N 1 1 336.501 3.162 40 0 EGABMO C[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(=O)C1=CCCCC1)CC2 ZINC000096209454 454305379 /nfs/dbraw/zinc/30/53/79/454305379.db2.gz LBRBQRAQCJQHPM-IBGZPJMESA-N 1 1 346.515 3.226 40 0 EGABMO Cc1ccc(CN2CCO[C@H]3C[N@@H+](Cc4cc(C)cc(C)c4)C[C@H]32)o1 ZINC000096248791 454311523 /nfs/dbraw/zinc/31/15/23/454311523.db2.gz CRUYJIFDJCMDEH-RTWAWAEBSA-N 1 1 340.467 3.290 40 0 EGABMO Cc1ncsc1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000096413838 454330546 /nfs/dbraw/zinc/33/05/46/454330546.db2.gz BUGMNSLWTHGHEY-CHWSQXEVSA-N 1 1 345.468 3.313 40 0 EGABMO C[C@H](c1cccnc1)N1CC[NH+](C[C@H]2OCCc3ccccc32)CC1 ZINC000096424299 454337404 /nfs/dbraw/zinc/33/74/04/454337404.db2.gz NZSOVVZNEIOMTQ-DYESRHJHSA-N 1 1 337.467 3.074 40 0 EGABMO C[C@@H](c1ccco1)N(C)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096427123 454340425 /nfs/dbraw/zinc/34/04/25/454340425.db2.gz SVRGBMDXUZJOFI-FUHWJXTLSA-N 1 1 342.439 3.090 40 0 EGABMO C[C@@H](c1ccco1)N(C)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096427123 454340430 /nfs/dbraw/zinc/34/04/30/454340430.db2.gz SVRGBMDXUZJOFI-FUHWJXTLSA-N 1 1 342.439 3.090 40 0 EGABMO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000096430903 454342129 /nfs/dbraw/zinc/34/21/29/454342129.db2.gz PISPJYXFQMROOO-QWRGUYRKSA-N 1 1 345.306 3.024 40 0 EGABMO CCc1cnc([C@H](C)NC2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000096479068 454364266 /nfs/dbraw/zinc/36/42/66/454364266.db2.gz XCQSYRQEIXMOCO-AWEZNQCLSA-N 1 1 330.501 3.416 40 0 EGABMO COc1ccccc1CC[N@@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000079090653 454366848 /nfs/dbraw/zinc/36/68/48/454366848.db2.gz IKMAQZLWORQPNO-AWEZNQCLSA-N 1 1 338.411 3.376 40 0 EGABMO Cc1ccnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cn3)CC2)c1 ZINC000096496420 454371055 /nfs/dbraw/zinc/37/10/55/454371055.db2.gz GIXWQBDDBOSQLG-UHFFFAOYSA-N 1 1 344.846 3.289 40 0 EGABMO OC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000096497154 454371242 /nfs/dbraw/zinc/37/12/42/454371242.db2.gz FYTOSRYLOGUUKG-GFCCVEGCSA-N 1 1 335.245 3.202 40 0 EGABMO COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000096499688 454372060 /nfs/dbraw/zinc/37/20/60/454372060.db2.gz QNVQELPUXOIYMT-JZXOWHBKSA-N 1 1 345.487 3.190 40 0 EGABMO O=C1CCCN1C1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000079353949 454401755 /nfs/dbraw/zinc/40/17/55/454401755.db2.gz IVDINXSABVAHFS-UHFFFAOYSA-N 1 1 329.831 3.479 40 0 EGABMO CC(C)(C)OC(=O)N1CCC2(C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000091302802 454422703 /nfs/dbraw/zinc/42/27/03/454422703.db2.gz MGDREBKYHGSSGI-KRWDZBQOSA-N 1 1 346.471 3.023 40 0 EGABMO COc1ccc(COC[C@H](O)C[N@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000245237332 455280769 /nfs/dbraw/zinc/28/07/69/455280769.db2.gz JTPCBFNAABBCTR-GDBMZVCRSA-N 1 1 347.480 3.254 40 0 EGABMO CC[C@H](Cc1ccccc1Br)[N@H+](C)Cc1ncnn1C ZINC000185927665 455653409 /nfs/dbraw/zinc/65/34/09/455653409.db2.gz BUUNWGRVVBXUPI-CYBMUJFWSA-N 1 1 337.265 3.031 40 0 EGABMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)Cc1ncnn1C ZINC000185927665 455653411 /nfs/dbraw/zinc/65/34/11/455653411.db2.gz BUUNWGRVVBXUPI-CYBMUJFWSA-N 1 1 337.265 3.031 40 0 EGABMO C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(C(=O)C1CCCCC1)CC2 ZINC000247965666 455661451 /nfs/dbraw/zinc/66/14/51/455661451.db2.gz ICVCSJHVTNDVIH-IBGZPJMESA-N 1 1 348.531 3.164 40 0 EGABMO Cc1ccc(C[N@H+]2Cc3cccn3C[C@@H](OCc3cccnc3)C2)o1 ZINC000248125323 455684303 /nfs/dbraw/zinc/68/43/03/455684303.db2.gz WQBGIIDPWWBKBD-FQEVSTJZSA-N 1 1 337.423 3.386 40 0 EGABMO Cc1ccc(C[N@@H+]2Cc3cccn3C[C@@H](OCc3cccnc3)C2)o1 ZINC000248125323 455684309 /nfs/dbraw/zinc/68/43/09/455684309.db2.gz WQBGIIDPWWBKBD-FQEVSTJZSA-N 1 1 337.423 3.386 40 0 EGABMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000252537484 455821775 /nfs/dbraw/zinc/82/17/75/455821775.db2.gz LIWIJINDHCTMOK-HOTGVXAUSA-N 1 1 347.503 3.141 40 0 EGABMO CC1(C)C[C@@H]([NH2+]Cc2cc(C(N)=O)cs2)c2ccc(F)cc2O1 ZINC000253423870 455843852 /nfs/dbraw/zinc/84/38/52/455843852.db2.gz JOUARHLBPZXSAP-CQSZACIVSA-N 1 1 334.416 3.378 40 0 EGABMO O=c1cc([C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)nc(-c2ccccn2)[nH]1 ZINC000253614855 455855872 /nfs/dbraw/zinc/85/58/72/455855872.db2.gz KWSCHPBLUXFIHA-CVEARBPZSA-N 1 1 336.439 3.390 40 0 EGABMO c1coc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306137405 456567929 /nfs/dbraw/zinc/56/79/29/456567929.db2.gz QVMQMPHQBCNCAV-QGZVFWFLSA-N 1 1 345.406 3.374 40 0 EGABMO c1nc2n(c1-c1ccccc1)C[C@H]1C[N@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306134844 456568063 /nfs/dbraw/zinc/56/80/63/456568063.db2.gz NZLKKQREBNZUGH-RTBURBONSA-N 1 1 330.435 3.249 40 0 EGABMO C[N@H+]1CCC[C@@]12CCCN(C(=O)COc1cccc(Cl)c1)CC2 ZINC000585100206 459822760 /nfs/dbraw/zinc/82/27/60/459822760.db2.gz HMUHYZJZFNXOTP-SFHVURJKSA-N 1 1 336.863 3.196 40 0 EGABMO CNC(=O)C[C@H]1Cn2cccc2C[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000585099010 459823397 /nfs/dbraw/zinc/82/33/97/459823397.db2.gz AUSSZAQEOLBLMC-CQSZACIVSA-N 1 1 349.837 3.049 40 0 EGABMO CNC(=O)C[C@H]1Cn2cccc2C[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000585099010 459823401 /nfs/dbraw/zinc/82/34/01/459823401.db2.gz AUSSZAQEOLBLMC-CQSZACIVSA-N 1 1 349.837 3.049 40 0 EGABMO C[N@@H+]1CC[C@H](COc2ccccn2)CC12CN(CC1CCCC1)C2 ZINC000585103489 459824407 /nfs/dbraw/zinc/82/44/07/459824407.db2.gz XHXBBTNTTXRYKH-SFHVURJKSA-N 1 1 329.488 3.047 40 0 EGABMO C[N@H+]1CC[C@H](COc2ccccn2)CC12CN(CC1CCCC1)C2 ZINC000585103489 459824410 /nfs/dbraw/zinc/82/44/10/459824410.db2.gz XHXBBTNTTXRYKH-SFHVURJKSA-N 1 1 329.488 3.047 40 0 EGABMO c1cc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)cs1 ZINC000585104708 459825046 /nfs/dbraw/zinc/82/50/46/459825046.db2.gz LFYKPZPRVUKAOL-MRXNPFEDSA-N 1 1 339.526 3.251 40 0 EGABMO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](CC(C)C)C[C@@H]32)no1 ZINC000585109621 459825187 /nfs/dbraw/zinc/82/51/87/459825187.db2.gz FQXUOXNZPOZXJQ-JENIJYKNSA-N 1 1 339.439 3.139 40 0 EGABMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000193975916 536814689 /nfs/dbraw/zinc/81/46/89/536814689.db2.gz ORCSFXHMEXVXFA-RDJZCZTQSA-N 1 1 330.428 3.099 40 0 EGABMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000193975916 536814695 /nfs/dbraw/zinc/81/46/95/536814695.db2.gz ORCSFXHMEXVXFA-RDJZCZTQSA-N 1 1 330.428 3.099 40 0 EGABMO O=c1cc(-c2ccccn2)nc([C@H]2CCC[N@H+]2C[C@H]2CC=CCC2)[nH]1 ZINC000019402502 202007430 /nfs/dbraw/zinc/00/74/30/202007430.db2.gz NIUJZZGJGGKOQR-MAUKXSAKSA-N 1 1 336.439 3.325 40 0 EGABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccc(O)c1)Cc1ccccn1 ZINC000019527138 202010104 /nfs/dbraw/zinc/01/01/04/202010104.db2.gz WVXJNUTXIMZSQV-IBGZPJMESA-N 1 1 325.456 3.274 40 0 EGABMO CSCC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(C)c(O)c(C)c1 ZINC000019570046 202011191 /nfs/dbraw/zinc/01/11/91/202011191.db2.gz BMUAWSUDXDFHGB-ROUUACIJSA-N 1 1 334.529 3.411 40 0 EGABMO COc1ccc(F)c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CCSC)c1 ZINC000019551685 202011742 /nfs/dbraw/zinc/01/17/42/202011742.db2.gz WMSGUDCYXJKLHL-HOTGVXAUSA-N 1 1 338.492 3.236 40 0 EGABMO Cn1cc(C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cn1 ZINC000019657647 202015504 /nfs/dbraw/zinc/01/55/04/202015504.db2.gz SIPHUURWJKCVEY-UHFFFAOYSA-N 1 1 332.407 3.188 40 0 EGABMO Cn1cc(C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cn1 ZINC000019657647 202015506 /nfs/dbraw/zinc/01/55/06/202015506.db2.gz SIPHUURWJKCVEY-UHFFFAOYSA-N 1 1 332.407 3.188 40 0 EGABMO C[C@@H](CNC(=O)c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000040108047 202168926 /nfs/dbraw/zinc/16/89/26/202168926.db2.gz LLAZDTFCIPMRPW-OLZOCXBDSA-N 1 1 339.277 3.299 40 0 EGABMO C[C@@H]([C@@H](O)c1cc2c(c3ccccc31)CCCC2)[NH+]1CCOCC1 ZINC000031912062 202211565 /nfs/dbraw/zinc/21/15/65/202211565.db2.gz QIPKXIYOBUBCAW-YCRPNKLZSA-N 1 1 325.452 3.473 40 0 EGABMO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cnn(C)c2)s1 ZINC000036740407 202330404 /nfs/dbraw/zinc/33/04/04/202330404.db2.gz WBOUSMZQVVKHQQ-UHFFFAOYSA-N 1 1 329.473 3.079 40 0 EGABMO O=c1[nH]c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)nc2ccccc21 ZINC000072867347 202368366 /nfs/dbraw/zinc/36/83/66/202368366.db2.gz HSCKKUPTCVRQFB-APWZRJJASA-N 1 1 349.434 3.011 40 0 EGABMO O=c1[nH]c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)nc2ccccc21 ZINC000072867347 202368368 /nfs/dbraw/zinc/36/83/68/202368368.db2.gz HSCKKUPTCVRQFB-APWZRJJASA-N 1 1 349.434 3.011 40 0 EGABMO Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000077547212 202392500 /nfs/dbraw/zinc/39/25/00/202392500.db2.gz RNYNJFLDWADMMG-HZPDHXFCSA-N 1 1 332.835 3.090 40 0 EGABMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccoc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252486327 201184413 /nfs/dbraw/zinc/18/44/13/201184413.db2.gz IMFXJHKTMHWXMM-BLLLJJGKSA-N 1 1 336.794 3.495 40 0 EGABMO C[N@H+]1CC[C@@H](CNC(=O)c2ccoc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252486327 201184416 /nfs/dbraw/zinc/18/44/16/201184416.db2.gz IMFXJHKTMHWXMM-BLLLJJGKSA-N 1 1 336.794 3.495 40 0 EGABMO CS(=O)(=O)[C@H]1CCC[N@@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000283272352 201329119 /nfs/dbraw/zinc/32/91/19/201329119.db2.gz WRZUGQKRJQYIHS-SFHVURJKSA-N 1 1 329.465 3.285 40 0 EGABMO CS(=O)(=O)[C@H]1CCC[N@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000283272352 201329121 /nfs/dbraw/zinc/32/91/21/201329121.db2.gz WRZUGQKRJQYIHS-SFHVURJKSA-N 1 1 329.465 3.285 40 0 EGABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(F)c(F)c2)C1 ZINC000225736892 242012407 /nfs/dbraw/zinc/01/24/07/242012407.db2.gz UPNANXRQXSWBAL-LBPRGKRZSA-N 1 1 327.444 3.373 40 0 EGABMO c1cc2c(cccc2C[NH+]2CC3(C2)OCC[C@@H]3COc2cccnc2)[nH]1 ZINC000248070472 243519149 /nfs/dbraw/zinc/51/91/49/243519149.db2.gz GQECRGFSDJYTRH-QGZVFWFLSA-N 1 1 349.434 3.233 40 0 EGABMO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000257209094 244144219 /nfs/dbraw/zinc/14/42/19/244144219.db2.gz BOXNXVGOZUCRAN-OAHLLOKOSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000257209094 244144229 /nfs/dbraw/zinc/14/42/29/244144229.db2.gz BOXNXVGOZUCRAN-OAHLLOKOSA-N 1 1 349.442 3.026 40 0 EGABMO C[C@]12C[C@@H](c3ccccc3)[N@@H+](Cc3cccnc3)[C@H]1CCCC(=O)N2 ZINC000257210720 244150581 /nfs/dbraw/zinc/15/05/81/244150581.db2.gz BVVVXYJWUOHUFX-ZJOUEHCJSA-N 1 1 335.451 3.456 40 0 EGABMO Cc1nn(C)c2nc([C@]3(C)CCC[N@@H+](Cc4ccccn4)C3)ccc12 ZINC000257211908 244153939 /nfs/dbraw/zinc/15/39/39/244153939.db2.gz CAZYASNACIGGGL-HXUWFJFHSA-N 1 1 335.455 3.225 40 0 EGABMO Cc1ncccc1Oc1cncc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072384254 203210772 /nfs/dbraw/zinc/21/07/72/203210772.db2.gz DBINZHSLNFJLJU-QGZVFWFLSA-N 1 1 340.427 3.288 40 0 EGABMO COc1ccc(C[N@H+]2CCOC[C@@H](Cc3cccc(C)n3)C2)cc1 ZINC000072388192 203211576 /nfs/dbraw/zinc/21/15/76/203211576.db2.gz ASYYJQICAANLQD-SFHVURJKSA-N 1 1 326.440 3.090 40 0 EGABMO CCc1nccn1-c1cncc([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072355513 203205119 /nfs/dbraw/zinc/20/51/19/203205119.db2.gz MRIIMLWERGELSV-HNNXBMFYSA-N 1 1 325.460 3.347 40 0 EGABMO COc1cccc(C[N@H+]2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)c1 ZINC000257270048 244373228 /nfs/dbraw/zinc/37/32/28/244373228.db2.gz MSOKRFTVEMXIGY-HXUWFJFHSA-N 1 1 339.439 3.063 40 0 EGABMO COc1ccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccc(C)o4)C3)C2)cc1 ZINC000107728469 204245569 /nfs/dbraw/zinc/24/55/69/204245569.db2.gz RYDSDZICONIUEZ-XLIONFOSSA-N 1 1 342.439 3.442 40 0 EGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(OC(F)F)cc2)C1 ZINC000048326106 204345121 /nfs/dbraw/zinc/34/51/21/204345121.db2.gz UMLPTEMGZMHTSD-OKILXGFUSA-N 1 1 340.414 3.386 40 0 EGABMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccccc2OC(F)F)C1 ZINC000378275951 169094992 /nfs/dbraw/zinc/09/49/92/169094992.db2.gz IIMRYGOYPBTEHC-OAHLLOKOSA-N 1 1 332.350 3.205 40 0 EGABMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccccc2OC(F)F)C1 ZINC000378275951 169094994 /nfs/dbraw/zinc/09/49/94/169094994.db2.gz IIMRYGOYPBTEHC-OAHLLOKOSA-N 1 1 332.350 3.205 40 0 EGABMO c1cc(C[N@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)co1 ZINC000306140511 257923861 /nfs/dbraw/zinc/92/38/61/257923861.db2.gz UVXAXFZRNSPOCV-SFHVURJKSA-N 1 1 345.406 3.374 40 0 EGABMO Cc1cc2nc(CC(=O)N[C@H](C)C[NH+]3CCCCCC3)[nH]c2c(C)c1 ZINC000019568369 292022802 /nfs/dbraw/zinc/02/28/02/292022802.db2.gz ORJHIEMZPQDNFA-MRXNPFEDSA-N 1 1 342.487 3.103 40 0 EGABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000072227501 262490781 /nfs/dbraw/zinc/49/07/81/262490781.db2.gz PGBCKQVVCPMWNH-CABCVRRESA-N 1 1 336.313 3.129 40 0 EGABMO Cc1csc2nc(C)nc(NC3CCN(c4[nH+]ccn4C)CC3)c12 ZINC000239654431 455261816 /nfs/dbraw/zinc/26/18/16/455261816.db2.gz BNLLXYHNPXNOGL-UHFFFAOYSA-N 1 1 342.472 3.123 40 0 EGABMO Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000012185038 453347912 /nfs/dbraw/zinc/34/79/12/453347912.db2.gz AKCUSCCYYSZZSB-UHFFFAOYSA-N 1 1 347.418 3.429 40 0 EGABMO CCSc1ncc(C[N@H+](C)Cc2cc(=O)[nH]c3ccccc23)cn1 ZINC000012188459 453348764 /nfs/dbraw/zinc/34/87/64/453348764.db2.gz SBDHFPAPGKUHDA-UHFFFAOYSA-N 1 1 340.452 3.474 40 0 EGABMO CCSc1ncc(C[N@@H+](C)Cc2cc(=O)[nH]c3ccccc23)cn1 ZINC000012188459 453348779 /nfs/dbraw/zinc/34/87/79/453348779.db2.gz SBDHFPAPGKUHDA-UHFFFAOYSA-N 1 1 340.452 3.474 40 0 EGABMO COc1ccc(C2([NH2+]Cc3cc4c(cc3OC)OCO4)CC2)cc1 ZINC000012361893 453357601 /nfs/dbraw/zinc/35/76/01/453357601.db2.gz GYLTUOFGYACOSF-UHFFFAOYSA-N 1 1 327.380 3.211 40 0 EGABMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc1OC ZINC000013265236 453456368 /nfs/dbraw/zinc/45/63/68/453456368.db2.gz RUNYPSHULQZNRH-WMLDXEAASA-N 1 1 325.412 3.064 40 0 EGABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc1OC ZINC000013265236 453456373 /nfs/dbraw/zinc/45/63/73/453456373.db2.gz RUNYPSHULQZNRH-WMLDXEAASA-N 1 1 325.412 3.064 40 0 EGABMO O[C@H](CO[C@H]1CCCc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000014138619 453510918 /nfs/dbraw/zinc/51/09/18/453510918.db2.gz TVLVXPUNKAWTML-UNMCSNQZSA-N 1 1 337.463 3.500 40 0 EGABMO Cc1cc([C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c(C)s1 ZINC000019567916 453657131 /nfs/dbraw/zinc/65/71/31/453657131.db2.gz BUJCWTWOELDKGB-GOSISDBHSA-N 1 1 334.460 3.360 40 0 EGABMO CC[C@H](NC(=O)NCCCn1cc[nH+]c1C)c1cc(F)ccc1F ZINC000077547203 454121053 /nfs/dbraw/zinc/12/10/53/454121053.db2.gz HVVIQEMFUIPUAR-INIZCTEOSA-N 1 1 336.386 3.310 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccccc2C)cc1 ZINC000044880495 454123742 /nfs/dbraw/zinc/12/37/42/454123742.db2.gz FBPIBVRDSAEEBA-UHFFFAOYSA-N 1 1 335.407 3.184 40 0 EGABMO COc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2)ccc1OC1CCCC1 ZINC000057811514 454147857 /nfs/dbraw/zinc/14/78/57/454147857.db2.gz HMUHTKQPTVOTGX-QGZVFWFLSA-N 1 1 332.488 3.400 40 0 EGABMO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(F)cc3)[nH]2)cc1OC ZINC000095534208 454230519 /nfs/dbraw/zinc/23/05/19/454230519.db2.gz JKCNNUDTQWEGSC-INIZCTEOSA-N 1 1 342.374 3.066 40 0 EGABMO O=C1CCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)C[N@H+]2Cc1ccccc1 ZINC000095951722 454237176 /nfs/dbraw/zinc/23/71/76/454237176.db2.gz HYBMYOKAHFTXBI-ZVDOUQERSA-N 1 1 338.426 3.462 40 0 biogenic EGABMO Cc1ccsc1C[N@H+]1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096041827 454266295 /nfs/dbraw/zinc/26/62/95/454266295.db2.gz JCQHFCOLHBSMOV-YQVWRLOYSA-N 1 1 344.480 3.400 40 0 EGABMO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccccc2)cs1 ZINC000096041756 454267049 /nfs/dbraw/zinc/26/70/49/454267049.db2.gz ORPHYNYBACLYLV-IPMKNSEASA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)s1 ZINC000096042234 454268030 /nfs/dbraw/zinc/26/80/30/454268030.db2.gz IMYKJZSDJTYULX-GBESFXJTSA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)s1 ZINC000096042234 454268034 /nfs/dbraw/zinc/26/80/34/454268034.db2.gz IMYKJZSDJTYULX-GBESFXJTSA-N 1 1 344.480 3.400 40 0 EGABMO Fc1ccc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cc1 ZINC000096042462 454268411 /nfs/dbraw/zinc/26/84/11/454268411.db2.gz ZRIQIERUIDHNBE-AQNXPRMDSA-N 1 1 342.414 3.169 40 0 EGABMO O=C(c1cccs1)N1CCC[C@@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096047014 454270368 /nfs/dbraw/zinc/27/03/68/454270368.db2.gz BMSJUPBLHHJIEP-KRWDZBQOSA-N 1 1 347.509 3.333 40 0 EGABMO O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096047014 454270371 /nfs/dbraw/zinc/27/03/71/454270371.db2.gz BMSJUPBLHHJIEP-KRWDZBQOSA-N 1 1 347.509 3.333 40 0 EGABMO O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](Cc1nccs1)C2 ZINC000096048739 454271561 /nfs/dbraw/zinc/27/15/61/454271561.db2.gz TXICVYKMQDJBOH-MRXNPFEDSA-N 1 1 333.482 3.224 40 0 EGABMO Fc1ccc(-c2ncnc3c2CC[N@@H+](Cc2ccncc2)CC3)cc1 ZINC000096058706 454276113 /nfs/dbraw/zinc/27/61/13/454276113.db2.gz UFEQNBJEXIOXMM-UHFFFAOYSA-N 1 1 334.398 3.279 40 0 EGABMO c1coc(CN2CCOC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1 ZINC000096062389 454278911 /nfs/dbraw/zinc/27/89/11/454278911.db2.gz JSGOUAJZUALSDE-GOSISDBHSA-N 1 1 332.469 3.066 40 0 EGABMO CC(C)n1c2cc(C(=O)N3CC[NH+](C)CC3)n(C)c2c2ccccc21 ZINC000096087864 454280096 /nfs/dbraw/zinc/28/00/96/454280096.db2.gz KWSPNCKRRKNRGW-UHFFFAOYSA-N 1 1 338.455 3.102 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)cs1 ZINC000096186755 454300215 /nfs/dbraw/zinc/30/02/15/454300215.db2.gz ADMJLIXVQLDEEC-QYZOEREBSA-N 1 1 344.480 3.482 40 0 EGABMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(Cc1ccccn1)C2 ZINC000096189514 454301081 /nfs/dbraw/zinc/30/10/81/454301081.db2.gz RNUQZJZTSBRRRV-UHFFFAOYSA-N 1 1 348.450 3.260 40 0 EGABMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(Cc1ccccn1)C2 ZINC000096189514 454301088 /nfs/dbraw/zinc/30/10/88/454301088.db2.gz RNUQZJZTSBRRRV-UHFFFAOYSA-N 1 1 348.450 3.260 40 0 EGABMO CC(C)[N@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000096201908 454303034 /nfs/dbraw/zinc/30/30/34/454303034.db2.gz JDICGMGOOUMHIE-RBBKRZOGSA-N 1 1 349.478 3.308 40 0 EGABMO c1csc(CN2CCC[C@]3(CC[N@H+](Cc4nccs4)C3)C2)n1 ZINC000096215714 454306169 /nfs/dbraw/zinc/30/61/69/454306169.db2.gz YZZSJCQBSSQJAB-INIZCTEOSA-N 1 1 334.514 3.088 40 0 EGABMO c1csc(CN2CCC[C@]3(CC[N@@H+](Cc4nccs4)C3)C2)n1 ZINC000096215714 454306173 /nfs/dbraw/zinc/30/61/73/454306173.db2.gz YZZSJCQBSSQJAB-INIZCTEOSA-N 1 1 334.514 3.088 40 0 EGABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1F)C2 ZINC000096219375 454307584 /nfs/dbraw/zinc/30/75/84/454307584.db2.gz TYWHUOHLMFKQSF-QUCCMNQESA-N 1 1 332.463 3.006 40 0 EGABMO O=C(Cc1ccccc1)N1CC[C@@]2(CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000096228693 454308563 /nfs/dbraw/zinc/30/85/63/454308563.db2.gz PPDIWNINHPFNGU-OAQYLSRUSA-N 1 1 338.426 3.245 40 0 EGABMO O=C(Cc1ccccc1)N1CC[C@@]2(CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000096228693 454308565 /nfs/dbraw/zinc/30/85/65/454308565.db2.gz PPDIWNINHPFNGU-OAQYLSRUSA-N 1 1 338.426 3.245 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@@]3(C[C@H](Nc4cccnc4)CO3)C2)n1 ZINC000096222835 454309431 /nfs/dbraw/zinc/30/94/31/454309431.db2.gz IPUZESSZBBOFLB-VQTJNVASSA-N 1 1 338.455 3.021 40 0 EGABMO Cc1nc(CN2CCC3(CC2)C[N@@H+](C)Cc2ccccc23)cs1 ZINC000096242373 454311264 /nfs/dbraw/zinc/31/12/64/454311264.db2.gz FOVKPVIUQQSTBC-UHFFFAOYSA-N 1 1 327.497 3.431 40 0 EGABMO CCc1nc(C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c[nH]1 ZINC000096454216 454357308 /nfs/dbraw/zinc/35/73/08/454357308.db2.gz RXBKRUBEGBTBHF-RDJZCZTQSA-N 1 1 340.471 3.270 40 0 EGABMO CCc1ncc(C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[nH]1 ZINC000096454216 454357310 /nfs/dbraw/zinc/35/73/10/454357310.db2.gz RXBKRUBEGBTBHF-RDJZCZTQSA-N 1 1 340.471 3.270 40 0 EGABMO CCc1ncc(C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[nH]1 ZINC000096454216 454357312 /nfs/dbraw/zinc/35/73/12/454357312.db2.gz RXBKRUBEGBTBHF-RDJZCZTQSA-N 1 1 340.471 3.270 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ncccc2OC(C)C)cn1 ZINC000096456558 454358530 /nfs/dbraw/zinc/35/85/30/454358530.db2.gz KEASCBSFIKKPAO-UHFFFAOYSA-N 1 1 337.383 3.010 40 0 EGABMO C[C@@H]([NH2+]Cc1ccncc1Cl)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096492000 454369938 /nfs/dbraw/zinc/36/99/38/454369938.db2.gz YOTHJWGJAJUXKG-SNVBAGLBSA-N 1 1 342.823 3.128 40 0 EGABMO COc1cccc(-c2noc([C@H]3CCC[N@H+]3C3CCOCC3)n2)c1 ZINC000097103463 454407602 /nfs/dbraw/zinc/40/76/02/454407602.db2.gz JCVKPNXTJPRGAV-MRXNPFEDSA-N 1 1 329.400 3.061 40 0 EGABMO CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000063527676 454421511 /nfs/dbraw/zinc/42/15/11/454421511.db2.gz AOZYYXRQMMYHLE-MRXNPFEDSA-N 1 1 326.362 3.150 40 0 EGABMO CCC[N@H+]1CCCN(C(=O)c2nc(C)oc2-c2ccccc2)CC1 ZINC000097376270 454434573 /nfs/dbraw/zinc/43/45/73/454434573.db2.gz DGMYTLGXCOZHSM-UHFFFAOYSA-N 1 1 327.428 3.208 40 0 EGABMO Cc1ccccc1[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CCO1 ZINC000073988663 454513824 /nfs/dbraw/zinc/51/38/24/454513824.db2.gz QJNZOPKBDYGPEK-SFHVURJKSA-N 1 1 341.455 3.305 40 0 EGABMO Clc1ccc(-c2nnc([C@H]3CC[N@H+](C4CCOCC4)C3)o2)cc1 ZINC000049169442 454537116 /nfs/dbraw/zinc/53/71/16/454537116.db2.gz ZONNEOZKBGILIY-ZDUSSCGKSA-N 1 1 333.819 3.358 40 0 biogenic,in-vitro EGABMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCc2c3ccccc3[nH]c21 ZINC000137586977 454783226 /nfs/dbraw/zinc/78/32/26/454783226.db2.gz BLROAGZNDOJDHY-GOSISDBHSA-N 1 1 334.419 3.483 40 0 EGABMO C[C@H](CC(=O)c1ccco1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000155353814 454990728 /nfs/dbraw/zinc/99/07/28/454990728.db2.gz TUJPXSYSSWZVQH-CABCVRRESA-N 1 1 332.444 3.012 40 0 EGABMO Cn1ccnc1[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000180642174 455215962 /nfs/dbraw/zinc/21/59/62/455215962.db2.gz FNSNBNVMNHCBNB-PBHICJAKSA-N 1 1 332.879 3.094 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1cnc2ncccn12 ZINC000245316736 455281680 /nfs/dbraw/zinc/28/16/80/455281680.db2.gz KLRXURUBQSOWPT-YLJYHZDGSA-N 1 1 349.482 3.072 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)o1 ZINC000248115991 455681386 /nfs/dbraw/zinc/68/13/86/455681386.db2.gz SMJXVEQPQVOAOC-YSIASYRMSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)o1 ZINC000248115991 455681389 /nfs/dbraw/zinc/68/13/89/455681389.db2.gz SMJXVEQPQVOAOC-YSIASYRMSA-N 1 1 342.439 3.179 40 0 EGABMO CCn1cncc1C[N@H+]1C[C@@H]2CCC[C@](O)(c3ccc(F)cc3)[C@H]2C1 ZINC000249701603 455767899 /nfs/dbraw/zinc/76/78/99/455767899.db2.gz YQYYLUYPHMUQTK-YSSFQJQWSA-N 1 1 343.446 3.162 40 0 EGABMO C[N@@H+](CCSCc1cc(=O)n2ccccc2n1)Cc1ccccc1 ZINC000193629783 455768580 /nfs/dbraw/zinc/76/85/80/455768580.db2.gz FVQOBJLOKAJDFD-UHFFFAOYSA-N 1 1 339.464 3.060 40 0 EGABMO Cc1cc(CC[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)cc(C)c1O ZINC000252536800 455820811 /nfs/dbraw/zinc/82/08/11/455820811.db2.gz JPDFASFMXVBQCQ-DFQSSKMNSA-N 1 1 346.515 3.031 40 0 EGABMO C[C@@H](C[S@](C)=O)[N@@H+](C)C1CC(c2ccc(Br)cc2)C1 ZINC000194482703 455848341 /nfs/dbraw/zinc/84/83/41/455848341.db2.gz CJCPVIKUBMXCIW-OPSAXKSESA-N 1 1 344.318 3.394 40 0 EGABMO C[C@@H]1Cc2cc([C@H](O)C[N@H+]3CCC[C@@H](C)C3)ccc2N1C(=O)C1CC1 ZINC000253600954 455854886 /nfs/dbraw/zinc/85/48/86/455854886.db2.gz FDLHJHJBOZDUPA-STXHMFSFSA-N 1 1 342.483 3.140 40 0 EGABMO CCCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)C3)[nH]n1 ZINC000257324036 455892044 /nfs/dbraw/zinc/89/20/44/455892044.db2.gz WMWQIURLSPJPMG-ZNWBIBPKSA-N 1 1 344.503 3.230 40 0 EGABMO CCCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)n[nH]1 ZINC000257324036 455892051 /nfs/dbraw/zinc/89/20/51/455892051.db2.gz WMWQIURLSPJPMG-ZNWBIBPKSA-N 1 1 344.503 3.230 40 0 EGABMO CCCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)C3)n[nH]1 ZINC000257324036 455892056 /nfs/dbraw/zinc/89/20/56/455892056.db2.gz WMWQIURLSPJPMG-ZNWBIBPKSA-N 1 1 344.503 3.230 40 0 EGABMO Cc1cnc(C[N@H+]2CCOC[C@H](Cc3cccc4occc43)C2)cn1 ZINC000257335862 455894591 /nfs/dbraw/zinc/89/45/91/455894591.db2.gz YMFQFEPDMHMFSR-MRXNPFEDSA-N 1 1 337.423 3.222 40 0 EGABMO CN(C)c1c(Cl)cccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000195532167 455981519 /nfs/dbraw/zinc/98/15/19/455981519.db2.gz ALRWJEQXQKPAGG-OLZOCXBDSA-N 1 1 336.867 3.106 40 0 EGABMO C[C@@H]([NH2+]Cc1cnn(C)c1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000195553499 455983846 /nfs/dbraw/zinc/98/38/46/455983846.db2.gz HXJXMMZQPFFLPU-SNVBAGLBSA-N 1 1 337.349 3.176 40 0 EGABMO O=S1(=O)CC[C@H]([N@H+](CCCc2c(F)cccc2Cl)C2CC2)C1 ZINC000225579042 456094450 /nfs/dbraw/zinc/09/44/50/456094450.db2.gz ZDUOOZGTGUDKDV-ZDUSSCGKSA-N 1 1 345.867 3.063 40 0 EGABMO O=S1(=O)CC[C@H]([N@@H+](CCCc2c(F)cccc2Cl)C2CC2)C1 ZINC000225579042 456094456 /nfs/dbraw/zinc/09/44/56/456094456.db2.gz ZDUOOZGTGUDKDV-ZDUSSCGKSA-N 1 1 345.867 3.063 40 0 EGABMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2noc(C(C)(C)C)n2)C1 ZINC000225604051 456097096 /nfs/dbraw/zinc/09/70/96/456097096.db2.gz RBFSUYAIJKNJNW-ZDUSSCGKSA-N 1 1 349.504 3.090 40 0 EGABMO Cc1nc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccc(C)n2)cs1 ZINC000306135985 456566765 /nfs/dbraw/zinc/56/67/65/456566765.db2.gz PFTPJMUKBMQMGZ-MSOLQXFVSA-N 1 1 328.485 3.004 40 0 EGABMO Cc1cc(NC(=O)CC[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)no1 ZINC000329084024 456831331 /nfs/dbraw/zinc/83/13/31/456831331.db2.gz SZFUSWQLGQVIBL-KZNAEPCWSA-N 1 1 339.439 3.002 40 0 EGABMO CC1(C)C=C(C[NH+]2CCCCC2)c2cc(F)cc3c2N1C(=O)C3=O ZINC000409418262 457599334 /nfs/dbraw/zinc/59/93/34/457599334.db2.gz WQRWYVBZQGMBOE-UHFFFAOYSA-N 1 1 328.387 3.017 40 0 EGABMO CCCC(CCC)[N@H+]1CC[C@H](O)[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585281870 459832628 /nfs/dbraw/zinc/83/26/28/459832628.db2.gz DCYSGJCQMOOJRT-PMACEKPBSA-N 1 1 335.488 3.140 40 0 EGABMO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCCN3CCCCC3)[C@H]2O)c1 ZINC000585289988 459833832 /nfs/dbraw/zinc/83/38/32/459833832.db2.gz YOQYYALNRAZMTR-PWRODBHTSA-N 1 1 346.515 3.121 40 0 EGABMO CNc1cnc(C[C@H]2CCC[N@@H+](Cc3nccn3C(C)C)CC2)cn1 ZINC000257207228 536421663 /nfs/dbraw/zinc/42/16/63/536421663.db2.gz BGXXCFGLPBAYSS-INIZCTEOSA-N 1 1 342.491 3.141 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H](C)Cn2cc(Cl)cn2)cc1 ZINC000028239695 1291304161 /nfs/dbraw/zinc/30/41/61/1291304161.db2.gz UGJSHBDHNODKGX-LBPRGKRZSA-N 1 1 343.818 3.305 40 0 EGABMO COc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000028306059 1291305929 /nfs/dbraw/zinc/30/59/29/1291305929.db2.gz SILDHXJTAXACMQ-UHFFFAOYSA-N 1 1 337.379 3.450 40 0 EGABMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](CC(C)C)C2CC2)c1 ZINC000027110468 202153179 /nfs/dbraw/zinc/15/31/79/202153179.db2.gz YNSXITYDSVONQS-AWEZNQCLSA-N 1 1 334.460 3.001 40 0 EGABMO Cc1cc(F)ccc1C[NH2+][C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000069170955 202271221 /nfs/dbraw/zinc/27/12/21/202271221.db2.gz NZKIQBMPGIYSSE-NRFANRHFSA-N 1 1 341.474 3.212 40 0 EGABMO CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nnc(C2CCC2)o1 ZINC000075918275 202379166 /nfs/dbraw/zinc/37/91/66/202379166.db2.gz NWTYPBPQMJZOOQ-SFHVURJKSA-N 1 1 340.471 3.434 40 0 EGABMO O=C1c2ccccc2NC2(CC[NH+](Cc3ccccn3)CC2)N1C1CC1 ZINC000077472072 202392454 /nfs/dbraw/zinc/39/24/54/202392454.db2.gz SMYJRAQWEZKHRQ-UHFFFAOYSA-N 1 1 348.450 3.104 40 0 EGABMO C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H](C)N1CC[C@H]1CCCCO1 ZINC000253397069 201186732 /nfs/dbraw/zinc/18/67/32/201186732.db2.gz UIMCRFFZMZMAPL-IYWMVGAKSA-N 1 1 338.536 3.299 40 0 EGABMO C[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H](C)[N@H+]1CC[C@H]1CCCCO1 ZINC000253397069 201186735 /nfs/dbraw/zinc/18/67/35/201186735.db2.gz UIMCRFFZMZMAPL-IYWMVGAKSA-N 1 1 338.536 3.299 40 0 EGABMO C[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H](C)[N@@H+]1CC[C@H]1CCCCO1 ZINC000253397069 201186739 /nfs/dbraw/zinc/18/67/39/201186739.db2.gz UIMCRFFZMZMAPL-IYWMVGAKSA-N 1 1 338.536 3.299 40 0 EGABMO CC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)C1 ZINC000195566062 241014164 /nfs/dbraw/zinc/01/41/64/241014164.db2.gz VYIUCDWHFXKMMK-QMTMVMCOSA-N 1 1 335.492 3.203 40 0 EGABMO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000257202650 244123836 /nfs/dbraw/zinc/12/38/36/244123836.db2.gz AMSSJTQQJNSZSS-SFHVURJKSA-N 1 1 335.411 3.481 40 0 EGABMO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000257202650 244123840 /nfs/dbraw/zinc/12/38/40/244123840.db2.gz AMSSJTQQJNSZSS-SFHVURJKSA-N 1 1 335.411 3.481 40 0 EGABMO Cc1ncc(CN(C)C)c([C@H]2CCC[N@H+]2CCOc2ccccc2)n1 ZINC000257202820 244123918 /nfs/dbraw/zinc/12/39/18/244123918.db2.gz ANOPCTOSGDBELV-LJQANCHMSA-N 1 1 340.471 3.063 40 0 EGABMO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000257209093 244142231 /nfs/dbraw/zinc/14/22/31/244142231.db2.gz BOXNXVGOZUCRAN-HNNXBMFYSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000257209093 244142237 /nfs/dbraw/zinc/14/22/37/244142237.db2.gz BOXNXVGOZUCRAN-HNNXBMFYSA-N 1 1 349.442 3.026 40 0 EGABMO CNc1cc(C)[nH+]c([C@@H]2CN(Cc3ccc(Cl)cn3)CCO2)c1 ZINC000257220028 244180607 /nfs/dbraw/zinc/18/06/07/244180607.db2.gz DJFPFAUBQVHHRB-KRWDZBQOSA-N 1 1 332.835 3.054 40 0 EGABMO c1ccc(Nc2nccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)nc1 ZINC000072377632 203209708 /nfs/dbraw/zinc/20/97/08/203209708.db2.gz VQUMMDOISDLQLU-QGZVFWFLSA-N 1 1 346.438 3.390 40 0 EGABMO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257234355 244223304 /nfs/dbraw/zinc/22/33/04/244223304.db2.gz GTDWKRHDNQNSTG-OAHLLOKOSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257234355 244223311 /nfs/dbraw/zinc/22/33/11/244223311.db2.gz GTDWKRHDNQNSTG-OAHLLOKOSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cc(NC(=O)CCc2cc(C)nc([C@@H]3CCC[N@@H+]3C)c2)no1 ZINC000072360548 203205718 /nfs/dbraw/zinc/20/57/18/203205718.db2.gz JVBSCYVVGXSQML-INIZCTEOSA-N 1 1 328.416 3.024 40 0 EGABMO O=c1cc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392892 203213285 /nfs/dbraw/zinc/21/32/85/203213285.db2.gz UDMLNLGQZYQFOB-SFHVURJKSA-N 1 1 346.434 3.212 40 0 EGABMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(Br)cc2F)C1 ZINC000046878906 204336624 /nfs/dbraw/zinc/33/66/24/204336624.db2.gz UTQGSUXHNXZKJW-LLVKDONJSA-N 1 1 343.240 3.050 40 0 EGABMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(F)cc2Br)C1 ZINC000046878548 204336877 /nfs/dbraw/zinc/33/68/77/204336877.db2.gz OATBFQVOUFNOMA-NSHDSACASA-N 1 1 343.240 3.050 40 0 EGABMO C[S@@](=O)Cc1cccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000177724359 207383437 /nfs/dbraw/zinc/38/34/37/207383437.db2.gz IQROQMFFYTUFCQ-VOIUYBSRSA-N 1 1 348.512 3.158 40 0 EGABMO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccccn1 ZINC000097231551 219000248 /nfs/dbraw/zinc/00/02/48/219000248.db2.gz MIRSCLNRESJXPM-BZNIZROVSA-N 1 1 333.794 3.330 40 0 EGABMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(OCC4CC4)cc3)[C@@H]2C1 ZINC000191451246 533431967 /nfs/dbraw/zinc/43/19/67/533431967.db2.gz DJYZYXDULUFRIZ-AQNXPRMDSA-N 1 1 331.456 3.244 40 0 EGABMO CC(C)CC(=O)N1CC[C@@H]2[C@H](C1)CCCC[N@H+]2CC1CCOCC1 ZINC000257332600 277343442 /nfs/dbraw/zinc/34/34/42/277343442.db2.gz XXZCTSDFKDRGLP-RBUKOAKNSA-N 1 1 336.520 3.162 40 0 EGABMO CCC(=O)N(Cc1ccc(OC)c(OC)c1)[C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000002273485 452691800 /nfs/dbraw/zinc/69/18/00/452691800.db2.gz PLOYJZJBKMLKKY-UXLLHSPISA-N 1 1 348.487 3.171 40 0 EGABMO Cc1cc(Cl)ccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000006501104 452948500 /nfs/dbraw/zinc/94/85/00/452948500.db2.gz LUVDTOQNWMQDCD-SFHVURJKSA-N 1 1 331.843 3.446 40 0 EGABMO C[NH+](C)[C@@H](CNc1nnnn1-c1ccccc1)c1ccccc1Cl ZINC000007981750 453144523 /nfs/dbraw/zinc/14/45/23/453144523.db2.gz KDCQGVWAOSTBNG-INIZCTEOSA-N 1 1 342.834 3.031 40 0 EGABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2)n1 ZINC000012185921 453347146 /nfs/dbraw/zinc/34/71/46/453347146.db2.gz XDDWGZKCMFJOEC-LJQANCHMSA-N 1 1 339.439 3.156 40 0 EGABMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1CO ZINC000012186923 453347872 /nfs/dbraw/zinc/34/78/72/453347872.db2.gz VTCBHWXSVKPTLJ-HXUWFJFHSA-N 1 1 341.451 3.369 40 0 EGABMO COc1ccc(C[N@H+](Cc2sccc2C)C[C@@H](C)O)cc1OC ZINC000013991427 453495218 /nfs/dbraw/zinc/49/52/18/453495218.db2.gz UYCGZSQJIJPWHI-CQSZACIVSA-N 1 1 335.469 3.457 40 0 EGABMO O[C@@H](CO[C@@H]1CCCc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000014138613 453510834 /nfs/dbraw/zinc/51/08/34/453510834.db2.gz TVLVXPUNKAWTML-IFMALSPDSA-N 1 1 337.463 3.500 40 0 EGABMO CC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000014242183 453524097 /nfs/dbraw/zinc/52/40/97/453524097.db2.gz ZHIFIHIACTXESU-BJLQDIEVSA-N 1 1 331.456 3.284 40 0 EGABMO Cc1ccc([C@H](CNC(=O)COc2c(C)cccc2C)[NH+](C)C)o1 ZINC000015860123 453587359 /nfs/dbraw/zinc/58/73/59/453587359.db2.gz WUINHKIVIMPRFX-INIZCTEOSA-N 1 1 330.428 3.003 40 0 EGABMO O=C1CCCC[C@@H]2[C@H](CC[N@H+]2Cc2ccc(-c3ccccn3)cc2)N1 ZINC000019713219 453658276 /nfs/dbraw/zinc/65/82/76/453658276.db2.gz DQPCCTOOXXTJCV-VQTJNVASSA-N 1 1 335.451 3.382 40 0 EGABMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NC(C3CC3)C3CC3)cc2)C[C@@H](C)O1 ZINC000025093686 453758331 /nfs/dbraw/zinc/75/83/31/453758331.db2.gz LLVAVKZDBOZQLL-HUUCEWRRSA-N 1 1 342.483 3.214 40 0 EGABMO COc1cc(C[N@@H+](C)C[C@H](O)c2ccccc2)ccc1OC(F)F ZINC000025702285 453783396 /nfs/dbraw/zinc/78/33/96/453783396.db2.gz XEZVHACTMHITCR-HNNXBMFYSA-N 1 1 337.366 3.462 40 0 EGABMO CCC[N@H+]1C[C@H](C[S@@](C)=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000031456825 453847740 /nfs/dbraw/zinc/84/77/40/453847740.db2.gz WOIHSNDTPKFAJW-NBNYRAQESA-N 1 1 330.497 3.287 40 0 EGABMO CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000044787038 454119360 /nfs/dbraw/zinc/11/93/60/454119360.db2.gz XOFHHYIMCCLSGD-UHFFFAOYSA-N 1 1 348.406 3.451 40 0 EGABMO Fc1ccc(C[N@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC000096058083 454274950 /nfs/dbraw/zinc/27/49/50/454274950.db2.gz IQPQLPZKEJYTSC-FHWLQOOXSA-N 1 1 328.387 3.032 40 0 EGABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072227187 454275595 /nfs/dbraw/zinc/27/55/95/454275595.db2.gz ROVLGZOCKWPRGR-GJZGRUSLSA-N 1 1 337.206 3.417 40 0 EGABMO CCc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000072227931 454276081 /nfs/dbraw/zinc/27/60/81/454276081.db2.gz PHKCMROFDPQHPW-IRXDYDNUSA-N 1 1 330.815 3.326 40 0 EGABMO Cn1ccnc1C[N@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC000096069923 454277889 /nfs/dbraw/zinc/27/78/89/454277889.db2.gz KALDKSJZLUDKIU-OALUTQOASA-N 1 1 325.456 3.032 40 0 EGABMO c1sc([C@H]2C[C@@H]3CC[N@H+](C4CCOCC4)C[C@H]3O2)nc1C1CC1 ZINC000096070613 454278274 /nfs/dbraw/zinc/27/82/74/454278274.db2.gz PAILLNUVCSKOJP-IAOVAPTHSA-N 1 1 334.485 3.351 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)o1 ZINC000096064798 454278766 /nfs/dbraw/zinc/27/87/66/454278766.db2.gz RWWAZNRHVGVUKQ-AABGKKOBSA-N 1 1 342.439 3.322 40 0 EGABMO Cc1ccsc1C[N@H+]1Cc2c(cnn2C)[C@H](COCC2CC2)C1 ZINC000096068276 454278948 /nfs/dbraw/zinc/27/89/48/454278948.db2.gz PXVWIJMSJRZZIZ-HNNXBMFYSA-N 1 1 331.485 3.316 40 0 EGABMO Cc1ccsc1C[N@@H+]1Cc2c(cnn2C)[C@H](COCC2CC2)C1 ZINC000096068276 454278951 /nfs/dbraw/zinc/27/89/51/454278951.db2.gz PXVWIJMSJRZZIZ-HNNXBMFYSA-N 1 1 331.485 3.316 40 0 EGABMO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2ccccn2)n(C)n1 ZINC000096081933 454280521 /nfs/dbraw/zinc/28/05/21/454280521.db2.gz UGLYUNRBHCRXEI-YQVWRLOYSA-N 1 1 339.487 3.084 40 0 EGABMO Cc1ccc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)cc1 ZINC000096187628 454299972 /nfs/dbraw/zinc/29/99/72/454299972.db2.gz VYXYWXPQVPOWEJ-UHFFFAOYSA-N 1 1 330.435 3.448 40 0 EGABMO CCOC[C@H]1CCC2(CCN(C(=O)C3CC=CC3)CC2)[N@H+]1CC1CC1 ZINC000096206669 454304526 /nfs/dbraw/zinc/30/45/26/454304526.db2.gz LFSBWHHBIAWWPC-LJQANCHMSA-N 1 1 346.515 3.225 40 0 EGABMO Cc1nc(CN2C[C@@]3(CC[N@@H+](Cc4cccs4)C3)CC2=O)cs1 ZINC000096239363 454310888 /nfs/dbraw/zinc/31/08/88/454310888.db2.gz GDOLMMFKDZAJLY-KRWDZBQOSA-N 1 1 347.509 3.138 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H](F)[C@]3(CCN(C(=O)c4ccco4)C3)C2)o1 ZINC000096241223 454311677 /nfs/dbraw/zinc/31/16/77/454311677.db2.gz CXBOOBAJAYUFNG-PKOBYXMFSA-N 1 1 346.402 3.257 40 0 EGABMO C[N@H+]1CCC[C@@]2(CN(Cc3ccc(C(F)(F)F)cc3)CCO2)C1 ZINC000096268595 454314901 /nfs/dbraw/zinc/31/49/01/454314901.db2.gz QCBSLZJODUVFDU-INIZCTEOSA-N 1 1 328.378 3.002 40 0 EGABMO COc1ccc2c3c1O[C@]1(C)C=C(Cl)C=C4[C@@H](C2)[N@@H+](C)CC[C@@]341 ZINC000096316377 454318504 /nfs/dbraw/zinc/31/85/04/454318504.db2.gz ZOKWVYUPBVGDOC-ZMYBRWDISA-N 1 1 329.827 3.407 40 0 biogenic,in-vitro EGABMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Nc1c(F)cc(F)cc1Cl ZINC000096487575 454367569 /nfs/dbraw/zinc/36/75/69/454367569.db2.gz FDJVTCHRMWLIHS-ZANVPECISA-N 1 1 331.794 3.422 40 0 EGABMO O=c1[nH]c2ccccc2cc1C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000079311575 454395832 /nfs/dbraw/zinc/39/58/32/454395832.db2.gz KCTIKPOGLMSODE-NRFANRHFSA-N 1 1 348.446 3.400 40 0 EGABMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000097096690 454405424 /nfs/dbraw/zinc/40/54/24/454405424.db2.gz MZYIAWNOXPEFBI-CYBMUJFWSA-N 1 1 329.366 3.017 40 0 EGABMO Cc1[nH+]ccn1-c1cncc(NCc2cc(-c3ccccc3)on2)n1 ZINC000097104578 454408486 /nfs/dbraw/zinc/40/84/86/454408486.db2.gz JBIOLOFOBANMEA-UHFFFAOYSA-N 1 1 332.367 3.238 40 0 EGABMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccco2)[C@@H]1c1cccs1 ZINC000080564622 454598929 /nfs/dbraw/zinc/59/89/29/454598929.db2.gz IBICKUORQFEJNB-XJKSGUPXSA-N 1 1 333.457 3.223 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3[C@H](CNc4cccnc4)CC[C@@H]32)c1 ZINC000247856779 455650095 /nfs/dbraw/zinc/65/00/95/455650095.db2.gz XUQQWUWQNBINAV-WBAXXEDZSA-N 1 1 329.469 3.235 40 0 EGABMO COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@](O)(c3ccccn3)[C@H]2C1 ZINC000247906336 455653798 /nfs/dbraw/zinc/65/37/98/455653798.db2.gz KEIJZPQCLZFUQA-DJPFJPOOSA-N 1 1 338.451 3.128 40 0 EGABMO C[N@H+](Cc1ncc(C(C)(C)C)s1)[C@H]1CCCN(c2cccnn2)C1 ZINC000253429395 455847536 /nfs/dbraw/zinc/84/75/36/455847536.db2.gz SZEVEMQMLRLXDY-AWEZNQCLSA-N 1 1 345.516 3.331 40 0 EGABMO C[N@@H+](Cc1ncc(C(C)(C)C)s1)[C@H]1CCCN(c2cccnn2)C1 ZINC000253429395 455847541 /nfs/dbraw/zinc/84/75/41/455847541.db2.gz SZEVEMQMLRLXDY-AWEZNQCLSA-N 1 1 345.516 3.331 40 0 EGABMO Cc1cnc(C[N@H+]2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)cn1 ZINC000257285011 455882400 /nfs/dbraw/zinc/88/24/00/455882400.db2.gz PFGDECPZMGNOBI-KRWDZBQOSA-N 1 1 337.423 3.222 40 0 EGABMO Cc1cccc(Nc2cnc([C@H]3CCC[N@@H+](Cc4c[nH]cn4)C3)cn2)n1 ZINC000257305318 455886687 /nfs/dbraw/zinc/88/66/87/455886687.db2.gz SPKDBHUXGDVDOA-HNNXBMFYSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cccc(Nc2cnc([C@H]3CCC[N@H+](Cc4cnc[nH]4)C3)cn2)n1 ZINC000257305318 455886691 /nfs/dbraw/zinc/88/66/91/455886691.db2.gz SPKDBHUXGDVDOA-HNNXBMFYSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cccc(Nc2cnc([C@H]3CCC[N@@H+](Cc4cnc[nH]4)C3)cn2)n1 ZINC000257305318 455886696 /nfs/dbraw/zinc/88/66/96/455886696.db2.gz SPKDBHUXGDVDOA-HNNXBMFYSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cnc([C@@H]2CCC[N@@H+](Cc3cnn4c3nc(C)cc4C)C2)s1 ZINC000257307968 455888178 /nfs/dbraw/zinc/88/81/78/455888178.db2.gz TUXDRKZEEIFXPM-OAHLLOKOSA-N 1 1 341.484 3.491 40 0 EGABMO CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H]2c2cncc(NC)n2)s1 ZINC000257321618 455891886 /nfs/dbraw/zinc/89/18/86/455891886.db2.gz WCKFLSJFEYTFTJ-OAHLLOKOSA-N 1 1 346.504 3.158 40 0 EGABMO CCN(CC)c1ncc(C[N@H+]2CCC[C@@H]2c2cncc(NC)n2)s1 ZINC000257321618 455891890 /nfs/dbraw/zinc/89/18/90/455891890.db2.gz WCKFLSJFEYTFTJ-OAHLLOKOSA-N 1 1 346.504 3.158 40 0 EGABMO Cc1nc(C(=O)N2CCCC[C@H]3[C@@H]2[C@H](c2ccccc2)C[N@@H+]3C)co1 ZINC000257328125 455892757 /nfs/dbraw/zinc/89/27/57/455892757.db2.gz XEGTWCVXOAVGBJ-WDSOQIARSA-N 1 1 339.439 3.076 40 0 EGABMO Fc1ccc(Nc2cccc([C@H]3C[N@H+](CC4CC4)CCO3)n2)nc1 ZINC000257330317 455893394 /nfs/dbraw/zinc/89/33/94/455893394.db2.gz XNWAXOJMHSTZKD-MRXNPFEDSA-N 1 1 328.391 3.143 40 0 EGABMO Fc1ccc(Nc2cccc([C@H]3C[N@@H+](CC4CC4)CCO3)n2)nc1 ZINC000257330317 455893396 /nfs/dbraw/zinc/89/33/96/455893396.db2.gz XNWAXOJMHSTZKD-MRXNPFEDSA-N 1 1 328.391 3.143 40 0 EGABMO COc1ccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1S(C)(=O)=O ZINC000230154826 456134138 /nfs/dbraw/zinc/13/41/38/456134138.db2.gz FMVVAXJPDSBDJY-VNQPRFMTSA-N 1 1 337.485 3.252 40 0 EGABMO COc1ccc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1S(C)(=O)=O ZINC000230154826 456134147 /nfs/dbraw/zinc/13/41/47/456134147.db2.gz FMVVAXJPDSBDJY-VNQPRFMTSA-N 1 1 337.485 3.252 40 0 EGABMO COc1cc(C)c(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1F ZINC000585101428 459823458 /nfs/dbraw/zinc/82/34/58/459823458.db2.gz MRYZVZROKXDTQB-CYBMUJFWSA-N 1 1 337.439 3.385 40 0 EGABMO COc1ccc2c(c1OC)C[C@H]1c3c(cc4c(c3-2)OCO4)CC[N@H+]1C ZINC000005966897 560204116 /nfs/dbraw/zinc/20/41/16/560204116.db2.gz UVDQDNQWGQFIAO-AWEZNQCLSA-N 1 1 339.391 3.185 40 0 biogenic,in-vitro EGABMO COc1ccc2c(c1OC)C[C@H]1c3c(cc4c(c3-2)OCO4)CC[N@@H+]1C ZINC000005966897 560204118 /nfs/dbraw/zinc/20/41/18/560204118.db2.gz UVDQDNQWGQFIAO-AWEZNQCLSA-N 1 1 339.391 3.185 40 0 biogenic,in-vitro EGABMO OCC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(Cl)c(Cl)c1 ZINC000019292832 202003164 /nfs/dbraw/zinc/00/31/64/202003164.db2.gz LJMPDSPPBXDVBE-KBPBESRZSA-N 1 1 329.271 3.024 40 0 EGABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)[nH]c(=O)c1C ZINC000019555375 202011065 /nfs/dbraw/zinc/01/10/65/202011065.db2.gz CYFCEWZIPWHXKF-SFHVURJKSA-N 1 1 348.450 3.315 40 0 EGABMO CSc1ncc(C[N@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cn1 ZINC000019574141 202014022 /nfs/dbraw/zinc/01/40/22/202014022.db2.gz HXPCBWFKNIJIMQ-OAHLLOKOSA-N 1 1 339.468 3.454 40 0 EGABMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)c1 ZINC000040013642 213249764 /nfs/dbraw/zinc/24/97/64/213249764.db2.gz JFSGYWHPLLUQSZ-KUHUBIRLSA-N 1 1 345.414 3.461 40 0 EGABMO Cc1ccccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022925493 202096139 /nfs/dbraw/zinc/09/61/39/202096139.db2.gz OPURZESRCSKQEI-SFHVURJKSA-N 1 1 337.467 3.140 40 0 EGABMO O=C(NCc1ccco1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220982 202167192 /nfs/dbraw/zinc/16/71/92/202167192.db2.gz NLZRUFGOXITTKK-HNNXBMFYSA-N 1 1 332.831 3.461 40 0 EGABMO C[C@@H](c1nccs1)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000072203890 216070302 /nfs/dbraw/zinc/07/03/02/216070302.db2.gz IAIBPFGIVWSVBH-QWHCGFSZSA-N 1 1 325.478 3.441 40 0 EGABMO C[C@@H](c1nccs1)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000072203890 216070305 /nfs/dbraw/zinc/07/03/05/216070305.db2.gz IAIBPFGIVWSVBH-QWHCGFSZSA-N 1 1 325.478 3.441 40 0 EGABMO c1cc(-c2noc([C@@H]3CCC[N@@H+]3CC3CC3)n2)cc(N2CCCC2)n1 ZINC000035426347 202302914 /nfs/dbraw/zinc/30/29/14/202302914.db2.gz WMBIGUPHOCFGDS-INIZCTEOSA-N 1 1 339.443 3.279 40 0 biogenic,in-vitro EGABMO COc1ccc(C[NH2+]Cc2ccc(C)nc2OC)c(Cl)c1OC ZINC000078656907 202399074 /nfs/dbraw/zinc/39/90/74/202399074.db2.gz ZPJGQQUHMNASKC-UHFFFAOYSA-N 1 1 336.819 3.359 40 0 EGABMO CC[C@@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc21 ZINC000003872852 201360631 /nfs/dbraw/zinc/36/06/31/201360631.db2.gz LJOQGZACKSYWCH-UYVJDWJCSA-N 1 1 326.440 3.397 40 0 EGABMO CCc1ccc(CC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000225877295 242067715 /nfs/dbraw/zinc/06/77/15/242067715.db2.gz FTTCCGGUAAHMTD-UHFFFAOYSA-N 1 1 336.479 3.356 40 0 EGABMO CC(C)(C)[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(O)c(CO)c1 ZINC000005352568 201648899 /nfs/dbraw/zinc/64/88/99/201648899.db2.gz NZBXAYHLQSMNQS-LJQANCHMSA-N 1 1 329.440 3.219 40 0 EGABMO Cc1c[nH]c(-c2cc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc(C)n2)n1 ZINC000257218670 244174654 /nfs/dbraw/zinc/17/46/54/244174654.db2.gz DEAXEOZFDGXLGS-QGZVFWFLSA-N 1 1 333.439 3.473 40 0 EGABMO c1cc2ccc(C[C@H]3COCC[N@H+](CC4CCOCC4)C3)cc2o1 ZINC000257236144 244228352 /nfs/dbraw/zinc/22/83/52/244228352.db2.gz HAYUHTRDXAKSDB-GOSISDBHSA-N 1 1 329.440 3.350 40 0 EGABMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357955 203204655 /nfs/dbraw/zinc/20/46/55/203204655.db2.gz YZOCKHFAGDTBLS-IBGZPJMESA-N 1 1 341.430 3.037 40 0 EGABMO CN(C)C(=O)C[N@H+]1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357955 203204658 /nfs/dbraw/zinc/20/46/58/203204658.db2.gz YZOCKHFAGDTBLS-IBGZPJMESA-N 1 1 341.430 3.037 40 0 EGABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392893 203214084 /nfs/dbraw/zinc/21/40/84/203214084.db2.gz UDMLNLGQZYQFOB-GOSISDBHSA-N 1 1 346.434 3.212 40 0 EGABMO Cn1cncc1-c1cncc([C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000257332735 244553854 /nfs/dbraw/zinc/55/38/54/244553854.db2.gz XYLRQQGSOMSCLT-HNNXBMFYSA-N 1 1 325.460 3.389 40 0 EGABMO CCOC[C@H](O)C[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000095431992 218375273 /nfs/dbraw/zinc/37/52/73/218375273.db2.gz ONIHBFNKQYVQDW-NVXWUHKLSA-N 1 1 349.862 3.264 40 0 EGABMO C[S@@](=O)Cc1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000177724387 207384805 /nfs/dbraw/zinc/38/48/05/207384805.db2.gz IQROQMFFYTUFCQ-UPCLLVRISA-N 1 1 348.512 3.158 40 0 EGABMO CC1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000096511754 275941388 /nfs/dbraw/zinc/94/13/88/275941388.db2.gz UPTRAYSRHZHPSA-UHFFFAOYSA-N 1 1 326.234 3.452 40 0 EGABMO CCc1ccc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)s1 ZINC000570833393 317114761 /nfs/dbraw/zinc/11/47/61/317114761.db2.gz WKNIFFQLCOBSMO-GOSISDBHSA-N 1 1 328.481 3.244 40 0 EGABMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000119479642 323216635 /nfs/dbraw/zinc/21/66/35/323216635.db2.gz MJBWKJGZBBBVHL-XGACYXMMSA-N 1 1 348.443 3.179 40 0 EGABMO O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CC[C@@H](Nc3ccccc3)C2)C1 ZINC000239762145 455262348 /nfs/dbraw/zinc/26/23/48/455262348.db2.gz CKYQPZIJXBUFOO-GHTZIAJQSA-N 1 1 349.478 3.335 40 0 EGABMO C[N@H+]1CC[C@H](CSC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000001710800 452673987 /nfs/dbraw/zinc/67/39/87/452673987.db2.gz WVGFMVMRLGYKNG-INIZCTEOSA-N 1 1 341.476 3.134 40 0 EGABMO C[N@H+]1CCC[C@H](OC(=O)[C@@H](c2ccccc2)C2(O)CCCCC2)C1 ZINC000005119315 452838000 /nfs/dbraw/zinc/83/80/00/452838000.db2.gz PPTLBEHNSNNAFL-ZWKOTPCHSA-N 1 1 331.456 3.103 40 0 EGABMO COc1cc(C[NH2+]CCCN(C)C)ccc1OCc1cccs1 ZINC000007523886 453083249 /nfs/dbraw/zinc/08/32/49/453083249.db2.gz JUNHUDYRPPKAKX-UHFFFAOYSA-N 1 1 334.485 3.377 40 0 EGABMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000007579527 453087525 /nfs/dbraw/zinc/08/75/25/453087525.db2.gz VFQIOGRXSHSNAP-PBHICJAKSA-N 1 1 338.879 3.346 40 0 EGABMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000007579527 453087534 /nfs/dbraw/zinc/08/75/34/453087534.db2.gz VFQIOGRXSHSNAP-PBHICJAKSA-N 1 1 338.879 3.346 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119070 453345546 /nfs/dbraw/zinc/34/55/46/453345546.db2.gz BGUAKEYCZGWPIG-MRXNPFEDSA-N 1 1 338.407 3.440 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)cc1Cc1c(C)noc1C ZINC000012188264 453350699 /nfs/dbraw/zinc/35/06/99/453350699.db2.gz IBMUQVSENUPZIY-ORAYPTAESA-N 1 1 344.455 3.094 40 0 EGABMO OCC[N@H+](Cc1cccnc1)Cc1cccc(OC2CCCC2)c1 ZINC000013569660 453472575 /nfs/dbraw/zinc/47/25/75/453472575.db2.gz DVYZROLVMZMWKF-UHFFFAOYSA-N 1 1 326.440 3.398 40 0 EGABMO OCC[N@@H+](Cc1cccnc1)Cc1cccc(OC2CCCC2)c1 ZINC000013569660 453472583 /nfs/dbraw/zinc/47/25/83/453472583.db2.gz DVYZROLVMZMWKF-UHFFFAOYSA-N 1 1 326.440 3.398 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1cccc(C)c1 ZINC000013632105 453477078 /nfs/dbraw/zinc/47/70/78/453477078.db2.gz GOBTYRVSKNMOGR-SFHVURJKSA-N 1 1 338.517 3.069 40 0 EGABMO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038850085 453943030 /nfs/dbraw/zinc/94/30/30/453943030.db2.gz PNKURSDFVDUQTC-LLVKDONJSA-N 1 1 327.255 3.484 40 0 EGABMO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038850085 453943033 /nfs/dbraw/zinc/94/30/33/453943033.db2.gz PNKURSDFVDUQTC-LLVKDONJSA-N 1 1 327.255 3.484 40 0 EGABMO C[C@H]1C[C@@H](OC[C@H](O)C[N@@H+](CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000095532672 454230812 /nfs/dbraw/zinc/23/08/12/454230812.db2.gz FKQLTXLKHRPMII-DFQSSKMNSA-N 1 1 349.515 3.073 40 0 EGABMO CCOC[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2c1cnn2C ZINC000096044618 454268380 /nfs/dbraw/zinc/26/83/80/454268380.db2.gz ORLYRTBSKAEVIZ-AWEZNQCLSA-N 1 1 349.862 3.088 40 0 EGABMO CCOC[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2c1cnn2C ZINC000096044618 454268381 /nfs/dbraw/zinc/26/83/81/454268381.db2.gz ORLYRTBSKAEVIZ-AWEZNQCLSA-N 1 1 349.862 3.088 40 0 EGABMO Fc1ccc(C[N@H+]2CC[C@]3(C[C@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047645 454270232 /nfs/dbraw/zinc/27/02/32/454270232.db2.gz VFYGVLVBNRIIJU-LPHOPBHVSA-N 1 1 345.393 3.205 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)s1 ZINC000096047154 454270453 /nfs/dbraw/zinc/27/04/53/454270453.db2.gz QPHAXXMFGXZOMX-SFHVURJKSA-N 1 1 328.485 3.339 40 0 EGABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccoc1)CC2 ZINC000096051576 454272879 /nfs/dbraw/zinc/27/28/79/454272879.db2.gz JETXWKFNGLGHRN-QGZVFWFLSA-N 1 1 328.412 3.389 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)o1 ZINC000096055437 454274077 /nfs/dbraw/zinc/27/40/77/454274077.db2.gz NOKMGFWWPQZDEH-RYQLBKOJSA-N 1 1 328.412 3.041 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)o1 ZINC000096055437 454274080 /nfs/dbraw/zinc/27/40/80/454274080.db2.gz NOKMGFWWPQZDEH-RYQLBKOJSA-N 1 1 328.412 3.041 40 0 EGABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000072227455 454275367 /nfs/dbraw/zinc/27/53/67/454275367.db2.gz PCIIFDBHQDVFBZ-GJZGRUSLSA-N 1 1 331.213 3.173 40 0 EGABMO COc1cccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)c1 ZINC000072227516 454275752 /nfs/dbraw/zinc/27/57/52/454275752.db2.gz LKQZRPIPUCPULM-HUUCEWRRSA-N 1 1 336.313 3.129 40 0 EGABMO COC[C@H]1C[N@@H+](CC2CCOCC2)Cc2cn(CC3CCCC3)nc21 ZINC000096059999 454275821 /nfs/dbraw/zinc/27/58/21/454275821.db2.gz OTIFKQXQXCEPTF-LJQANCHMSA-N 1 1 347.503 3.046 40 0 EGABMO Cn1cc(C[N@H+]2CCCC23CCN(c2ccccc2F)CC3)cn1 ZINC000096075334 454280205 /nfs/dbraw/zinc/28/02/05/454280205.db2.gz FIERFYNURIGOBS-UHFFFAOYSA-N 1 1 328.435 3.194 40 0 EGABMO c1[nH+]c([C@@H]2CN(Cc3cccnc3)CCO2)c2cccc(C3CC3)n12 ZINC000096155858 454294007 /nfs/dbraw/zinc/29/40/07/454294007.db2.gz RCUJXEYPFFBDNP-IBGZPJMESA-N 1 1 334.423 3.180 40 0 EGABMO Cc1cnc(N2CCC3(CC([N@@H+](C)Cc4ccccn4)C3)CC2)nc1 ZINC000096159264 454295705 /nfs/dbraw/zinc/29/57/05/454295705.db2.gz LDMGIICPVSAYMG-UHFFFAOYSA-N 1 1 337.471 3.061 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)o1 ZINC000096186115 454299291 /nfs/dbraw/zinc/29/92/91/454299291.db2.gz SKUBXAAHNKPYCJ-FHWLQOOXSA-N 1 1 328.412 3.184 40 0 EGABMO Cc1nc(CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccc(C)n2)cs1 ZINC000096184741 454300034 /nfs/dbraw/zinc/30/00/34/454300034.db2.gz PFTPJMUKBMQMGZ-ZWKOTPCHSA-N 1 1 328.485 3.004 40 0 EGABMO c1coc(C[N@@H+]2CCC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)c1 ZINC000096206204 454304162 /nfs/dbraw/zinc/30/41/62/454304162.db2.gz HOLGKOVVJFXDBI-OALUTQOASA-N 1 1 328.412 3.015 40 0 EGABMO Cc1ncsc1C[N@H+]1CC[C@]2(C1)C[C@H](Nc1ccccn1)CCO2 ZINC000096205966 454304276 /nfs/dbraw/zinc/30/42/76/454304276.db2.gz QFUJNZILBSMKKM-CRAIPNDOSA-N 1 1 344.484 3.082 40 0 EGABMO COC[C@@H]1CCC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)[N@H+]1C ZINC000096215844 454305358 /nfs/dbraw/zinc/30/53/58/454305358.db2.gz JIHFXEYEIZUMTE-INIZCTEOSA-N 1 1 336.863 3.055 40 0 EGABMO C[N@@H+](CCOc1ccccc1F)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000078736580 454309625 /nfs/dbraw/zinc/30/96/25/454309625.db2.gz ATKJRVYSHWFKSK-GOSISDBHSA-N 1 1 342.414 3.332 40 0 EGABMO C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](F)[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096241263 454311868 /nfs/dbraw/zinc/31/18/68/454311868.db2.gz ZLKROWIWYVFQCQ-VKZRIFJHSA-N 1 1 336.476 3.167 40 0 EGABMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1 ZINC000096453144 454356280 /nfs/dbraw/zinc/35/62/80/454356280.db2.gz QONWZPGPJARJKS-INIZCTEOSA-N 1 1 332.492 3.337 40 0 EGABMO O=C(CCc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000062089456 454367029 /nfs/dbraw/zinc/36/70/29/454367029.db2.gz ZGKXPYPIXVTCMY-UHFFFAOYSA-N 1 1 326.415 3.103 40 0 EGABMO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000079090629 454367193 /nfs/dbraw/zinc/36/71/93/454367193.db2.gz WEECBVSBPMXEMA-AWEZNQCLSA-N 1 1 335.411 3.145 40 0 EGABMO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000079090629 454367198 /nfs/dbraw/zinc/36/71/98/454367198.db2.gz WEECBVSBPMXEMA-AWEZNQCLSA-N 1 1 335.411 3.145 40 0 EGABMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@H](O)COC(C)(C)C)C3)nc2c1 ZINC000096490644 454368460 /nfs/dbraw/zinc/36/84/60/454368460.db2.gz XKOYWPCBIOFVOA-CVEARBPZSA-N 1 1 345.487 3.227 40 0 EGABMO Cc1ccc2nc([C@@H]3CCC[N@H+](C[C@H](O)COC(C)(C)C)C3)[nH]c2c1 ZINC000096490644 454368466 /nfs/dbraw/zinc/36/84/66/454368466.db2.gz XKOYWPCBIOFVOA-CVEARBPZSA-N 1 1 345.487 3.227 40 0 EGABMO Cc1ccc2nc([C@@H]3CCC[N@@H+](C[C@H](O)COC(C)(C)C)C3)[nH]c2c1 ZINC000096490644 454368472 /nfs/dbraw/zinc/36/84/72/454368472.db2.gz XKOYWPCBIOFVOA-CVEARBPZSA-N 1 1 345.487 3.227 40 0 EGABMO COc1ccccc1N1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cn2)C1=O ZINC000096490237 454368968 /nfs/dbraw/zinc/36/89/68/454368968.db2.gz DKEFOMJGIYSATH-CZUORRHYSA-N 1 1 343.402 3.076 40 0 EGABMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)C[C@@H]2C=CCC2)C1 ZINC000097372881 454434927 /nfs/dbraw/zinc/43/49/27/454434927.db2.gz NSNNDSHERLTDDG-OAHLLOKOSA-N 1 1 328.456 3.110 40 0 EGABMO COc1ccc([C@@H]2CC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1 ZINC000181196260 455301061 /nfs/dbraw/zinc/30/10/61/455301061.db2.gz VKHUQIBJYLAYHA-MRXNPFEDSA-N 1 1 338.455 3.489 40 0 EGABMO COc1ccc([C@@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1 ZINC000181196260 455301066 /nfs/dbraw/zinc/30/10/66/455301066.db2.gz VKHUQIBJYLAYHA-MRXNPFEDSA-N 1 1 338.455 3.489 40 0 EGABMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2C)C1 ZINC000191082731 455439237 /nfs/dbraw/zinc/43/92/37/455439237.db2.gz SUOJZCWQIQNWLK-CQSZACIVSA-N 1 1 328.378 3.314 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3[C@H](CC2)OCCN3c2cccnc2)cs1 ZINC000247952279 455658908 /nfs/dbraw/zinc/65/89/08/455658908.db2.gz KNYGNVSNACRDIW-MSOLQXFVSA-N 1 1 329.469 3.013 40 0 EGABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccsc3)C[C@@H]12 ZINC000248161857 455690600 /nfs/dbraw/zinc/69/06/00/455690600.db2.gz XYEYHYGWKWWJAF-MJGOQNOKSA-N 1 1 326.465 3.236 40 0 EGABMO C[N@@H+]1CC=C(CNC(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 ZINC000272041481 455829366 /nfs/dbraw/zinc/82/93/66/455829366.db2.gz OSTYVAIATOGRLF-UHFFFAOYSA-N 1 1 326.400 3.089 40 0 EGABMO C(C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1)SC1CCCCC1 ZINC000253396850 455839072 /nfs/dbraw/zinc/83/90/72/455839072.db2.gz KBGKHKLBRBZTGH-HNNXBMFYSA-N 1 1 334.533 3.470 40 0 EGABMO Cc1nnc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)s1 ZINC000253420250 455843003 /nfs/dbraw/zinc/84/30/03/455843003.db2.gz JUULFHSQFOADKD-AWEZNQCLSA-N 1 1 340.456 3.011 40 0 EGABMO Cc1nnc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)s1 ZINC000253420250 455843007 /nfs/dbraw/zinc/84/30/07/455843007.db2.gz JUULFHSQFOADKD-AWEZNQCLSA-N 1 1 340.456 3.011 40 0 EGABMO CC(C)n1nccc1C[N@@H+]1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 ZINC000257324857 455892413 /nfs/dbraw/zinc/89/24/13/455892413.db2.gz WQMKNMOVOWCZCH-RTBURBONSA-N 1 1 347.434 3.007 40 0 EGABMO CC(C)n1nccc1C[N@H+]1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 ZINC000257324857 455892416 /nfs/dbraw/zinc/89/24/16/455892416.db2.gz WQMKNMOVOWCZCH-RTBURBONSA-N 1 1 347.434 3.007 40 0 EGABMO c1ncc(C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)s1 ZINC000257328595 455893433 /nfs/dbraw/zinc/89/34/33/455893433.db2.gz XGIWHKNNEQEHGT-ROUUACIJSA-N 1 1 330.453 3.093 40 0 EGABMO c1ncc(C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)s1 ZINC000257328595 455893436 /nfs/dbraw/zinc/89/34/36/455893436.db2.gz XGIWHKNNEQEHGT-ROUUACIJSA-N 1 1 330.453 3.093 40 0 EGABMO Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+]3C[C@@H]3CCCO3)C2)c(C)c1 ZINC000585102047 459824237 /nfs/dbraw/zinc/82/42/37/459824237.db2.gz OPLGIKQLYLIBCZ-RXVVDRJESA-N 1 1 342.483 3.163 40 0 EGABMO C[C@@H]1C[C@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)CCN1Cc1ccccc1 ZINC000585141367 459830143 /nfs/dbraw/zinc/83/01/43/459830143.db2.gz UNSFVKAQYZODTA-VQIMIIECSA-N 1 1 325.456 3.272 40 0 EGABMO Cc1cnc(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)s1 ZINC000618882008 460206208 /nfs/dbraw/zinc/20/62/08/460206208.db2.gz PPBSDOZHFPFDAQ-HIFRSBDPSA-N 1 1 330.457 3.409 40 0 EGABMO CC(C)C[N@@H+]1CCO[C@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1 ZINC000257254487 535127992 /nfs/dbraw/zinc/12/79/92/535127992.db2.gz KDGLPBRHBLYWPA-IBGZPJMESA-N 1 1 347.434 3.200 40 0 EGABMO CC(C)C[N@H+]1CCO[C@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1 ZINC000257254487 535127997 /nfs/dbraw/zinc/12/79/97/535127997.db2.gz KDGLPBRHBLYWPA-IBGZPJMESA-N 1 1 347.434 3.200 40 0 EGABMO CC(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1cc3ccccc3o1)CCO2 ZINC000306125562 547459762 /nfs/dbraw/zinc/45/97/62/547459762.db2.gz CUAXIOAGDQJIFP-UXHICEINSA-N 1 1 342.439 3.083 40 0 EGABMO CC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1cc3ccccc3o1)CCO2 ZINC000306125562 547459766 /nfs/dbraw/zinc/45/97/66/547459766.db2.gz CUAXIOAGDQJIFP-UXHICEINSA-N 1 1 342.439 3.083 40 0 EGABMO Fc1ccc(C[N@H+]2C[C@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)cc1 ZINC000306129615 547460019 /nfs/dbraw/zinc/46/00/19/547460019.db2.gz IIGCIKXSOAARGS-FUHWJXTLSA-N 1 1 334.398 3.313 40 0 EGABMO OCC[NH2+]CCN[C@@H](Cc1ccccc1)c1cccc2ccccc21 ZINC000019365956 202005243 /nfs/dbraw/zinc/00/52/43/202005243.db2.gz FTZCAWPQOLUZRV-QFIPXVFZSA-N 1 1 334.463 3.295 40 0 EGABMO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)[nH]c(=O)c1C ZINC000019555397 202011852 /nfs/dbraw/zinc/01/18/52/202011852.db2.gz VSUOLXNMFRNOHY-CQSZACIVSA-N 1 1 333.382 3.045 40 0 EGABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)[nH]c(=O)c1C ZINC000019555397 202011856 /nfs/dbraw/zinc/01/18/56/202011856.db2.gz VSUOLXNMFRNOHY-CQSZACIVSA-N 1 1 333.382 3.045 40 0 EGABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000019575928 202013926 /nfs/dbraw/zinc/01/39/26/202013926.db2.gz XNIGATOWDBZRCB-RRFJBIMHSA-N 1 1 346.858 3.239 40 0 EGABMO CCOCc1ccccc1NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000078611597 202398139 /nfs/dbraw/zinc/39/81/39/202398139.db2.gz FKQMWRRZCCSKJK-INIZCTEOSA-N 1 1 331.460 3.362 40 0 EGABMO Cc1[nH+]ccn1CCCNC(=O)c1ccccc1OC1CCCC1 ZINC000078883167 202403543 /nfs/dbraw/zinc/40/35/43/202403543.db2.gz YTUCJKRXEGZGGZ-UHFFFAOYSA-N 1 1 327.428 3.333 40 0 EGABMO O=C(C1CCC1)N1C[C@@H]2CCCC[N@@H+](CCc3ccccc3)[C@@H]2C1 ZINC000072330627 203202697 /nfs/dbraw/zinc/20/26/97/203202697.db2.gz ZHZCGTGEXACKRL-VQTJNVASSA-N 1 1 326.484 3.342 40 0 EGABMO Fc1cccc(-c2ncnc3c2CC[N@@H+](Cc2cccnc2)CC3)c1 ZINC000096187647 203856064 /nfs/dbraw/zinc/85/60/64/203856064.db2.gz YTUDBSXUZOQOHC-UHFFFAOYSA-N 1 1 334.398 3.279 40 0 EGABMO Cc1nnc([C@@]23CCO[C@@H]2CC[N@@H+](Cc2cccc4ccccc42)C3)o1 ZINC000107710507 204245266 /nfs/dbraw/zinc/24/52/66/204245266.db2.gz YIYVQBGXGQGTSS-TZIWHRDSSA-N 1 1 349.434 3.464 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2C=CCC2)C[C@H](C)O1 ZINC000048325805 204346011 /nfs/dbraw/zinc/34/60/11/204346011.db2.gz JWTXGYMGENZXQG-KSZLIROESA-N 1 1 342.483 3.268 40 0 EGABMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C[C@H]2C=CCC2)C[C@H](C)O1 ZINC000048325805 204346015 /nfs/dbraw/zinc/34/60/15/204346015.db2.gz JWTXGYMGENZXQG-KSZLIROESA-N 1 1 342.483 3.268 40 0 EGABMO C[S@](=O)Cc1cccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000177724374 207384484 /nfs/dbraw/zinc/38/44/84/207384484.db2.gz IQROQMFFYTUFCQ-GYCJOSAFSA-N 1 1 348.512 3.158 40 0 EGABMO C[N@H+]1CCC[C@@H]1COC(=O)[C@@H](c1ccccc1)C1(O)CCCCC1 ZINC000004962058 452827230 /nfs/dbraw/zinc/82/72/30/452827230.db2.gz UNEGQFUYGINFAB-QZTJIDSGSA-N 1 1 331.456 3.103 40 0 EGABMO COc1cccc(C[N@H+](C)CC(=O)Nc2cc(C)ccc2OC)c1 ZINC000006583801 452955873 /nfs/dbraw/zinc/95/58/73/452955873.db2.gz LKGXEACSTCOFRL-UHFFFAOYSA-N 1 1 328.412 3.083 40 0 EGABMO COc1cccc(C[N@@H+](C)CC(=O)Nc2cc(C)ccc2OC)c1 ZINC000006583801 452955896 /nfs/dbraw/zinc/95/58/96/452955896.db2.gz LKGXEACSTCOFRL-UHFFFAOYSA-N 1 1 328.412 3.083 40 0 EGABMO O=S(=O)(CC[N@@H+]1CC=C(c2ccccc2)CC1)Oc1ccccc1 ZINC000007650893 453097921 /nfs/dbraw/zinc/09/79/21/453097921.db2.gz JCKYVASWRFEQME-UHFFFAOYSA-N 1 1 343.448 3.185 40 0 EGABMO COc1ccc(C[N@@H+](Cc2cccnc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012118234 453346299 /nfs/dbraw/zinc/34/62/99/453346299.db2.gz YLCHZAGNTLULBW-IBGZPJMESA-N 1 1 342.439 3.280 40 0 EGABMO COc1ccc(C[N@H+](Cc2cccnc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012118234 453346305 /nfs/dbraw/zinc/34/63/05/453346305.db2.gz YLCHZAGNTLULBW-IBGZPJMESA-N 1 1 342.439 3.280 40 0 EGABMO CCCc1ncc(C[NH+]2CCC(O)(c3ccccc3C)CC2)cn1 ZINC000012188744 453350014 /nfs/dbraw/zinc/35/00/14/453350014.db2.gz UCDOLHJHKGPGEE-UHFFFAOYSA-N 1 1 325.456 3.221 40 0 EGABMO CCn1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c1C ZINC000012276750 453354267 /nfs/dbraw/zinc/35/42/67/453354267.db2.gz NTPGRBZWAYBJHP-YOFSQIOKSA-N 1 1 343.446 3.365 40 0 EGABMO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)CCOc1ccccc1Cl ZINC000012763563 453401036 /nfs/dbraw/zinc/40/10/36/453401036.db2.gz HISDOIWJGSBAAQ-AWEZNQCLSA-N 1 1 338.879 3.488 40 0 EGABMO C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)CCOc1ccccc1Cl ZINC000012763563 453401042 /nfs/dbraw/zinc/40/10/42/453401042.db2.gz HISDOIWJGSBAAQ-AWEZNQCLSA-N 1 1 338.879 3.488 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1c(OC)cccc1OC ZINC000013647426 453478771 /nfs/dbraw/zinc/47/87/71/453478771.db2.gz KZNNJIPITKJPJU-HNNXBMFYSA-N 1 1 334.460 3.088 40 0 EGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)cc(N)n2n1 ZINC000019129321 453654506 /nfs/dbraw/zinc/65/45/06/453654506.db2.gz BLVQRZJTILOHOJ-OAHLLOKOSA-N 1 1 339.418 3.139 40 0 EGABMO Cc1nc([C@@H]2CCCC[N@H+]2C(C)C)nc2c1CCC(=O)N2CC1CC1 ZINC000019741233 453658313 /nfs/dbraw/zinc/65/83/13/453658313.db2.gz NGNFXECWASRYAV-KRWDZBQOSA-N 1 1 342.487 3.410 40 0 EGABMO Cc1nc([C@@H]2CCCC[N@@H+]2C(C)C)nc2c1CCC(=O)N2CC1CC1 ZINC000019741233 453658315 /nfs/dbraw/zinc/65/83/15/453658315.db2.gz NGNFXECWASRYAV-KRWDZBQOSA-N 1 1 342.487 3.410 40 0 EGABMO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@H+]2Cc1c(C)nc2ccccn21 ZINC000019712329 453658459 /nfs/dbraw/zinc/65/84/59/453658459.db2.gz QAKNAOGXDYZKDM-ZWKOTPCHSA-N 1 1 340.471 3.008 40 0 EGABMO C[N@H+]1CCCC[C@H]1C1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000019746573 453659509 /nfs/dbraw/zinc/65/95/09/453659509.db2.gz DLSKXDZYAPGJJG-KRWDZBQOSA-N 1 1 344.484 3.028 40 0 EGABMO C[C@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000085468201 454030101 /nfs/dbraw/zinc/03/01/01/454030101.db2.gz YSHFTKXIEHZZJP-SFHVURJKSA-N 1 1 349.563 3.221 40 0 EGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1cc(C)ccc1C ZINC000044945827 454128029 /nfs/dbraw/zinc/12/80/29/454128029.db2.gz HANBRBBLLLHAPE-UHFFFAOYSA-N 1 1 349.434 3.493 40 0 EGABMO CS(=O)(=O)CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCc2ccccc21 ZINC000095413943 454205746 /nfs/dbraw/zinc/20/57/46/454205746.db2.gz GMYMFWXGMSIVJE-RTBURBONSA-N 1 1 335.513 3.396 40 0 EGABMO c1coc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)c1 ZINC000096040170 454267107 /nfs/dbraw/zinc/26/71/07/454267107.db2.gz ISHJGZWJLXIHDY-WOJBJXKFSA-N 1 1 342.439 3.263 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)s1 ZINC000096048348 454270841 /nfs/dbraw/zinc/27/08/41/454270841.db2.gz FUAIWKUUBZCLAW-YJBOKZPZSA-N 1 1 344.484 3.082 40 0 EGABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]2CCCO[C@H]12 ZINC000096057141 454274302 /nfs/dbraw/zinc/27/43/02/454274302.db2.gz OFSBZZDIWYTSBN-UHOSZYNNSA-N 1 1 346.496 3.453 40 0 EGABMO COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cc1 ZINC000096055732 454275323 /nfs/dbraw/zinc/27/53/23/454275323.db2.gz CIXMUVFUNJSZLI-DLBZAZTESA-N 1 1 328.437 3.137 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cc1 ZINC000096055732 454275326 /nfs/dbraw/zinc/27/53/26/454275326.db2.gz CIXMUVFUNJSZLI-DLBZAZTESA-N 1 1 328.437 3.137 40 0 EGABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072227114 454275404 /nfs/dbraw/zinc/27/54/04/454275404.db2.gz JENCVKKJMGENGU-HUUCEWRRSA-N 1 1 336.313 3.129 40 0 EGABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Br)cc2)cc1C ZINC000072227846 454276180 /nfs/dbraw/zinc/27/61/80/454276180.db2.gz ADIYVTWVBNPUSW-JKSUJKDBSA-N 1 1 345.240 3.481 40 0 EGABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccccn3)C[C@@H]21 ZINC000096058331 454276573 /nfs/dbraw/zinc/27/65/73/454276573.db2.gz ZFPVESFRVKPGBP-BJLQDIEVSA-N 1 1 335.451 3.332 40 0 EGABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccsc3)C[C@H]12 ZINC000096058430 454277042 /nfs/dbraw/zinc/27/70/42/454277042.db2.gz XYEYHYGWKWWJAF-PKOBYXMFSA-N 1 1 326.465 3.236 40 0 EGABMO Cc1ccc(C[N@H+]2CCOC[C@]3(CCN(c4ccccn4)C3)C2)s1 ZINC000096062464 454278526 /nfs/dbraw/zinc/27/85/26/454278526.db2.gz RNBRFSVBWVBMBL-LJQANCHMSA-N 1 1 343.496 3.180 40 0 EGABMO CN(Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1)Cc1ccncc1 ZINC000072394696 454293862 /nfs/dbraw/zinc/29/38/62/454293862.db2.gz FRZRYAYPHXTSRJ-UHFFFAOYSA-N 1 1 335.455 3.057 40 0 EGABMO Cc1nc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)cs1 ZINC000096186416 454300436 /nfs/dbraw/zinc/30/04/36/454300436.db2.gz QSIIJQPIAFJQBL-IRXDYDNUSA-N 1 1 327.453 3.221 40 0 EGABMO Cc1nc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)cs1 ZINC000096186416 454300440 /nfs/dbraw/zinc/30/04/40/454300440.db2.gz QSIIJQPIAFJQBL-IRXDYDNUSA-N 1 1 327.453 3.221 40 0 EGABMO c1csc(C[N@@H+]2CCc3ncc(CNc4ccccn4)n3CC2)c1 ZINC000096197103 454301738 /nfs/dbraw/zinc/30/17/38/454301738.db2.gz QWZIBFAFNIEOCY-UHFFFAOYSA-N 1 1 339.468 3.010 40 0 EGABMO COC[C@H]1C[N@H+](Cc2cccnc2)Cc2cn(CC3CCCC3)nc21 ZINC000096198180 454302896 /nfs/dbraw/zinc/30/28/96/454302896.db2.gz HIIMLJTZLSEBKG-LJQANCHMSA-N 1 1 340.471 3.214 40 0 EGABMO COC[C@H]1C[N@@H+](Cc2cccnc2)Cc2cn(CC3CCCC3)nc21 ZINC000096198180 454302901 /nfs/dbraw/zinc/30/29/01/454302901.db2.gz HIIMLJTZLSEBKG-LJQANCHMSA-N 1 1 340.471 3.214 40 0 EGABMO Cc1cc(C)cc(C[N@H+]2CC[C@]3(C2)C[C@@H](N2CCCC2=O)CCO3)c1 ZINC000096208706 454305365 /nfs/dbraw/zinc/30/53/65/454305365.db2.gz UVVMTLVBMLMBHX-PZJWPPBQSA-N 1 1 342.483 3.049 40 0 EGABMO c1ncn2c1C[N@@H+](CCc1ccccc1)C[C@H](COc1cccnc1)C2 ZINC000096209345 454305604 /nfs/dbraw/zinc/30/56/04/454305604.db2.gz ZJMGXAZFTVAGDT-IBGZPJMESA-N 1 1 348.450 3.032 40 0 EGABMO Cc1csc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)n1 ZINC000096208572 454305882 /nfs/dbraw/zinc/30/58/82/454305882.db2.gz ONARCAFQJWQDHY-MRXNPFEDSA-N 1 1 345.468 3.049 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@]3(CCCN(c4ccccn4)C3)C2)c1 ZINC000096226373 454308433 /nfs/dbraw/zinc/30/84/33/454308433.db2.gz UTJPCEZKOSTZEA-GOSISDBHSA-N 1 1 329.469 3.015 40 0 EGABMO c1csc(C[N@H+]2CCO[C@]3(CCCN(c4ccccn4)C3)C2)c1 ZINC000096226373 454308438 /nfs/dbraw/zinc/30/84/38/454308438.db2.gz UTJPCEZKOSTZEA-GOSISDBHSA-N 1 1 329.469 3.015 40 0 EGABMO c1csc(C[N@@H+]2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3CC2)c1 ZINC000096249414 454311807 /nfs/dbraw/zinc/31/18/07/454311807.db2.gz IBNKLVUTHRZENJ-OALUTQOASA-N 1 1 343.496 3.009 40 0 EGABMO CCc1ccc(C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)o1 ZINC000078919079 454337895 /nfs/dbraw/zinc/33/78/95/454337895.db2.gz FNBOSJYTKYPMJP-UHFFFAOYSA-N 1 1 345.443 3.089 40 0 EGABMO CC(C)[C@H](C(=O)N1CCC[N@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000096431176 454342268 /nfs/dbraw/zinc/34/22/68/454342268.db2.gz HTOGRIHNTALESU-FQEVSTJZSA-N 1 1 344.499 3.140 40 0 EGABMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000096443554 454351531 /nfs/dbraw/zinc/35/15/31/454351531.db2.gz RHKXBQKADZSMCO-KGLIPLIRSA-N 1 1 331.485 3.072 40 0 EGABMO C[N@H+](Cc1cscn1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000096455322 454357503 /nfs/dbraw/zinc/35/75/03/454357503.db2.gz WTWHWWDWDACDMM-UHFFFAOYSA-N 1 1 325.478 3.411 40 0 EGABMO C[N@@H+](Cc1cscn1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000096455322 454357507 /nfs/dbraw/zinc/35/75/07/454357507.db2.gz WTWHWWDWDACDMM-UHFFFAOYSA-N 1 1 325.478 3.411 40 0 EGABMO COc1ccc(CC[N@@H+](C)Cc2cnc3ccccn23)cc1OC ZINC000096468406 454360079 /nfs/dbraw/zinc/36/00/79/454360079.db2.gz LKTOJJMAAQAERU-UHFFFAOYSA-N 1 1 325.412 3.026 40 0 EGABMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1C(F)(F)F)C2 ZINC000063527623 454421689 /nfs/dbraw/zinc/42/16/89/454421689.db2.gz DSUASNYEKBIOLK-MRXNPFEDSA-N 1 1 326.362 3.263 40 0 EGABMO C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000080086829 454531163 /nfs/dbraw/zinc/53/11/63/454531163.db2.gz OWQNMEZCTUYOIS-CABCVRRESA-N 1 1 346.446 3.168 40 0 EGABMO C[C@@H](CC(=O)c1ccco1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000155353717 454990310 /nfs/dbraw/zinc/99/03/10/454990310.db2.gz TUJPXSYSSWZVQH-GJZGRUSLSA-N 1 1 332.444 3.012 40 0 EGABMO O[C@@H](COCc1ccco1)C[N@H+]1CCc2sccc2[C@H]1C1CC1 ZINC000245237584 455281756 /nfs/dbraw/zinc/28/17/56/455281756.db2.gz OPXFGKBQAYKWLB-RDTXWAMCSA-N 1 1 333.453 3.228 40 0 EGABMO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(OCc3ccc(F)cc3)CC2)n1 ZINC000192718106 455677282 /nfs/dbraw/zinc/67/72/82/455677282.db2.gz MQFGSCRLCGLBOU-AWEZNQCLSA-N 1 1 345.418 3.372 40 0 EGABMO O[C@]1(c2cccnc2)CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC000248071517 455677823 /nfs/dbraw/zinc/67/78/23/455677823.db2.gz YHQYVBJFVDONSK-DJKXOVBDSA-N 1 1 344.405 3.480 40 0 EGABMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(C)s2)[C@H]1Cc1ccncc1 ZINC000248104329 455681738 /nfs/dbraw/zinc/68/17/38/455681738.db2.gz OQYRSPVOYNWELP-RBUKOAKNSA-N 1 1 346.496 3.300 40 0 EGABMO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(Br)cs1 ZINC000194071898 455798934 /nfs/dbraw/zinc/79/89/34/455798934.db2.gz NNZHCIGRMSOXCV-WCBMZHEXSA-N 1 1 327.251 3.288 40 0 EGABMO C[C@H](NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)c1ccc(F)c(F)c1 ZINC000252477201 455806367 /nfs/dbraw/zinc/80/63/67/455806367.db2.gz JYVBIANUDPQQSD-ADOMEBDSSA-N 1 1 349.425 3.152 40 0 EGABMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)no1 ZINC000253370788 455836291 /nfs/dbraw/zinc/83/62/91/455836291.db2.gz WDVHZDNIFVSSJT-RDJZCZTQSA-N 1 1 349.381 3.215 40 0 EGABMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)no1 ZINC000253370788 455836294 /nfs/dbraw/zinc/83/62/94/455836294.db2.gz WDVHZDNIFVSSJT-RDJZCZTQSA-N 1 1 349.381 3.215 40 0 EGABMO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000253392414 455838673 /nfs/dbraw/zinc/83/86/73/455838673.db2.gz CHKFCAQBEWVRHP-KGLIPLIRSA-N 1 1 334.489 3.183 40 0 EGABMO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000253392414 455838675 /nfs/dbraw/zinc/83/86/75/455838675.db2.gz CHKFCAQBEWVRHP-KGLIPLIRSA-N 1 1 334.489 3.183 40 0 EGABMO CC(=O)NC[C@@H]1CCC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000194439916 455842476 /nfs/dbraw/zinc/84/24/76/455842476.db2.gz GRLXNWHCTPSIDR-AWEZNQCLSA-N 1 1 329.271 3.384 40 0 EGABMO Cc1nc(C[N@@H+]2CCC[C@@H](Cc3cnc(N(C)C)cn3)CC2)cs1 ZINC000257312595 455889232 /nfs/dbraw/zinc/88/92/32/455889232.db2.gz UOSMMRRHNWMMJS-OAHLLOKOSA-N 1 1 345.516 3.152 40 0 EGABMO CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCC[N@H+]2Cc1cccnc1 ZINC000257333254 455894728 /nfs/dbraw/zinc/89/47/28/455894728.db2.gz YAVQNDSJOYCAFV-FKBYEOEOSA-N 1 1 349.478 3.451 40 0 EGABMO CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c(O)c1 ZINC000195546788 455982733 /nfs/dbraw/zinc/98/27/33/455982733.db2.gz YROCVBBXKXSISH-MAUKXSAKSA-N 1 1 347.503 3.041 40 0 EGABMO COc1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000225315259 456077221 /nfs/dbraw/zinc/07/72/21/456077221.db2.gz PLQDVOUUSGALCG-UHFFFAOYSA-N 1 1 349.434 3.438 40 0 EGABMO O=S1(=O)CC[C@@H]([N@H+](CCCc2c(F)cccc2Cl)C2CC2)C1 ZINC000225579008 456095356 /nfs/dbraw/zinc/09/53/56/456095356.db2.gz ZDUOOZGTGUDKDV-CYBMUJFWSA-N 1 1 345.867 3.063 40 0 EGABMO O=S1(=O)CC[C@@H]([N@@H+](CCCc2c(F)cccc2Cl)C2CC2)C1 ZINC000225579008 456095359 /nfs/dbraw/zinc/09/53/59/456095359.db2.gz ZDUOOZGTGUDKDV-CYBMUJFWSA-N 1 1 345.867 3.063 40 0 EGABMO Cc1nc2ccc(C[NH+]3CCN(c4ccc(F)cn4)CC3)cc2s1 ZINC000349420749 456967054 /nfs/dbraw/zinc/96/70/54/456967054.db2.gz RMQVSAUJZOMELE-UHFFFAOYSA-N 1 1 342.443 3.461 40 0 EGABMO O=C(c1ccc(F)cc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000352713317 457551483 /nfs/dbraw/zinc/55/14/83/457551483.db2.gz SKXBUQXBOOTQHR-UHFFFAOYSA-N 1 1 338.426 3.489 40 0 EGABMO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)o1 ZINC000585105523 459824977 /nfs/dbraw/zinc/82/49/77/459824977.db2.gz YTNCOCYGFKXBKR-QGZVFWFLSA-N 1 1 337.485 3.091 40 0 EGABMO C[C@H]1C[C@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)CCN1Cc1ccccc1 ZINC000585141366 459829656 /nfs/dbraw/zinc/82/96/56/459829656.db2.gz UNSFVKAQYZODTA-QFBILLFUSA-N 1 1 325.456 3.272 40 0 EGABMO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCC[N@@H+]2Cc2ccccn2)n1 ZINC000585178869 459831479 /nfs/dbraw/zinc/83/14/79/459831479.db2.gz WDXZJGKUGDPRKN-SFHVURJKSA-N 1 1 334.427 3.297 40 0 EGABMO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCC[N@H+]2Cc2ccccn2)n1 ZINC000585178869 459831482 /nfs/dbraw/zinc/83/14/82/459831482.db2.gz WDXZJGKUGDPRKN-SFHVURJKSA-N 1 1 334.427 3.297 40 0 EGABMO Cc1cc(C)c(C)c(OC[C@]2(O)COCC[N@H+](C3CCCCC3)C2)c1 ZINC000585283572 459832071 /nfs/dbraw/zinc/83/20/71/459832071.db2.gz RYNBGRNVLRJFIZ-OAQYLSRUSA-N 1 1 347.499 3.387 40 0 EGABMO Cn1cc([C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)c2ccc(F)cc2)cn1 ZINC000187511645 534752553 /nfs/dbraw/zinc/75/25/53/534752553.db2.gz NCXXZQCXRMEVJA-IBGZPJMESA-N 1 1 335.386 3.315 40 0 EGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]2N1Cc1ccccc1 ZINC000306128915 547459773 /nfs/dbraw/zinc/45/97/73/547459773.db2.gz HOHVNQPPGQKCTE-PMACEKPBSA-N 1 1 347.418 3.163 40 0 EGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccco3)C[C@@H]2N1Cc1ccccc1 ZINC000306128915 547459775 /nfs/dbraw/zinc/45/97/75/547459775.db2.gz HOHVNQPPGQKCTE-PMACEKPBSA-N 1 1 347.418 3.163 40 0 EGABMO Oc1cc(Cl)cc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000894570042 1308960863 /nfs/dbraw/zinc/96/08/63/1308960863.db2.gz RNFCRWMIVQOKED-KRWDZBQOSA-N 1 1 332.831 3.224 40 0 EGABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000019338220 202004544 /nfs/dbraw/zinc/00/45/44/202004544.db2.gz ONEVOPJSFCATFY-XEWABKELSA-N 1 1 344.405 3.480 40 0 EGABMO C[C@]1(C(=O)NC2CCCC2)CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019746697 202018116 /nfs/dbraw/zinc/01/81/16/202018116.db2.gz RPUZRLDQZUDUCU-FQEVSTJZSA-N 1 1 340.471 3.224 40 0 EGABMO CCC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1COC[C@H]1Cc1cc(C)no1 ZINC000019502483 202009551 /nfs/dbraw/zinc/00/95/51/202009551.db2.gz IRVNPAJISSMHRE-YLJYHZDGSA-N 1 1 344.455 3.461 40 0 EGABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc(Oc2ccccc2)c1 ZINC000019575949 202013602 /nfs/dbraw/zinc/01/36/02/202013602.db2.gz LJDBOVSRUAMIBV-YTQUADARSA-N 1 1 338.451 3.118 40 0 EGABMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000071121915 202340782 /nfs/dbraw/zinc/34/07/82/202340782.db2.gz HKYRAPZDGHMQCE-KFWWJZLASA-N 1 1 335.473 3.025 40 0 EGABMO COc1ccc([C@H](CO)[N@@H+](C)C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000075742404 202382801 /nfs/dbraw/zinc/38/28/01/202382801.db2.gz YVOCTSKKMBDQMR-ROUUACIJSA-N 1 1 335.831 3.047 40 0 EGABMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccncc2)CC1 ZINC000078553375 202395941 /nfs/dbraw/zinc/39/59/41/202395941.db2.gz NXVGVTODMVUNBE-MRXNPFEDSA-N 1 1 342.462 3.213 40 0 EGABMO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000252581602 201183317 /nfs/dbraw/zinc/18/33/17/201183317.db2.gz CEMMMONWLYPBFP-HUUCEWRRSA-N 1 1 347.427 3.076 40 0 EGABMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000252581602 201183321 /nfs/dbraw/zinc/18/33/21/201183321.db2.gz CEMMMONWLYPBFP-HUUCEWRRSA-N 1 1 347.427 3.076 40 0 EGABMO COc1cccc([C@@H]2[C@H]([NH2+]Cc3nc(C)c(C)o3)CCN2C2CC2)c1 ZINC000253392851 201186812 /nfs/dbraw/zinc/18/68/12/201186812.db2.gz GYCKVJVBGWYXBT-UYAOXDASSA-N 1 1 341.455 3.368 40 0 EGABMO COc1cccc([C@@H]2[C@H](NCc3nc(C)c(C)o3)CC[N@@H+]2C2CC2)c1 ZINC000253392851 201186814 /nfs/dbraw/zinc/18/68/14/201186814.db2.gz GYCKVJVBGWYXBT-UYAOXDASSA-N 1 1 341.455 3.368 40 0 EGABMO COc1cccc([C@@H]2[C@H](NCc3nc(C)c(C)o3)CC[N@H+]2C2CC2)c1 ZINC000253392851 201186817 /nfs/dbraw/zinc/18/68/17/201186817.db2.gz GYCKVJVBGWYXBT-UYAOXDASSA-N 1 1 341.455 3.368 40 0 EGABMO O=C(CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccccc1 ZINC000023186554 212358569 /nfs/dbraw/zinc/35/85/69/212358569.db2.gz RVHOLKAULJUTFS-SFHVURJKSA-N 1 1 328.387 3.228 40 0 EGABMO O=C(CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccccc1 ZINC000023186554 212358570 /nfs/dbraw/zinc/35/85/70/212358570.db2.gz RVHOLKAULJUTFS-SFHVURJKSA-N 1 1 328.387 3.228 40 0 EGABMO COc1ccccc1[C@H](CNC(=O)/C=C/c1sccc1C)[NH+](C)C ZINC000023077676 212346542 /nfs/dbraw/zinc/34/65/42/212346542.db2.gz HVNVUTZOBJKABF-SCOAYWHSSA-N 1 1 344.480 3.497 40 0 EGABMO Nc1nccnc1C[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000257213417 244155978 /nfs/dbraw/zinc/15/59/78/244155978.db2.gz CHMTWRQHXXNPEJ-HNNXBMFYSA-N 1 1 333.439 3.062 40 0 EGABMO c1cc2nccc(C[C@@H]3CCC[N@H+](C4CCOCC4)CC3)c2cn1 ZINC000257217402 244169858 /nfs/dbraw/zinc/16/98/58/244169858.db2.gz CYTVVHVSVABXRD-MRXNPFEDSA-N 1 1 325.456 3.453 40 0 EGABMO Cc1cc(C[C@H]2COCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)ncn1 ZINC000257227930 244208430 /nfs/dbraw/zinc/20/84/30/244208430.db2.gz FRPAVBJKZLTXDL-OAHLLOKOSA-N 1 1 349.837 3.269 40 0 EGABMO Cc1cc(C[C@H]2COCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)ncn1 ZINC000257227930 244208437 /nfs/dbraw/zinc/20/84/37/244208437.db2.gz FRPAVBJKZLTXDL-OAHLLOKOSA-N 1 1 349.837 3.269 40 0 EGABMO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@@H+]3CC(C)C)n2)n1 ZINC000072376203 203208894 /nfs/dbraw/zinc/20/88/94/203208894.db2.gz AGUNBFNAHAIOPS-INIZCTEOSA-N 1 1 326.448 3.420 40 0 EGABMO Cc1cn(C)c([C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257234510 244222028 /nfs/dbraw/zinc/22/20/28/244222028.db2.gz GTVFQBQCPVFPHP-SFHVURJKSA-N 1 1 333.439 3.175 40 0 EGABMO Cn1c2ccccc2nc1C[N@@H+](C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257239460 244237719 /nfs/dbraw/zinc/23/77/19/244237719.db2.gz HPIQLIQTYPMESY-INIZCTEOSA-N 1 1 335.455 3.069 40 0 EGABMO O[C@@]1(c2ccccn2)CC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC000072392549 203214026 /nfs/dbraw/zinc/21/40/26/203214026.db2.gz LNIHGASZHSZQFS-KHYOSLBOSA-N 1 1 330.378 3.089 40 0 EGABMO O=C(N[C@H]1CC2(CC[NH+](CCF)CC2)Oc2ccccc21)C1CCC1 ZINC000096242742 284165255 /nfs/dbraw/zinc/16/52/55/284165255.db2.gz DOSNVSBYBXSUNZ-KRWDZBQOSA-N 1 1 346.446 3.231 40 0 EGABMO Cc1cccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)n1 ZINC000107711951 204245333 /nfs/dbraw/zinc/24/53/33/204245333.db2.gz UVKUOMVUHHETHJ-UXHICEINSA-N 1 1 330.472 3.188 40 0 EGABMO Cc1csc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)n1 ZINC000107712060 204246135 /nfs/dbraw/zinc/24/61/35/204246135.db2.gz IVNQIJBEZJPDBE-AEFFLSMTSA-N 1 1 336.501 3.249 40 0 EGABMO O=C1N(CC2CCC2)CC[C@]12CCC[N@@H+](Cc1ccncc1)CC2 ZINC000108528582 204266151 /nfs/dbraw/zinc/26/61/51/204266151.db2.gz MRGNBDJYCHKBPJ-HXUWFJFHSA-N 1 1 327.472 3.086 40 0 EGABMO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000249417406 285311057 /nfs/dbraw/zinc/31/10/57/285311057.db2.gz ZTAFZZONAOHQQS-BSWAZPDLSA-N 1 1 348.453 3.465 40 0 EGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Br)cc2)cc1 ZINC000072227456 454274853 /nfs/dbraw/zinc/27/48/53/454274853.db2.gz PCIIFDBHQDVFBZ-HUUCEWRRSA-N 1 1 331.213 3.173 40 0 EGABMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NC(=O)NC1CCCCC1 ZINC000008075711 453158995 /nfs/dbraw/zinc/15/89/95/453158995.db2.gz NNMWQCMURSEAHJ-CQSZACIVSA-N 1 1 335.473 3.044 40 0 EGABMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)NC(=O)NC1CCCCC1 ZINC000008075711 453159003 /nfs/dbraw/zinc/15/90/03/453159003.db2.gz NNMWQCMURSEAHJ-CQSZACIVSA-N 1 1 335.473 3.044 40 0 EGABMO OCC1CCC2(CC1)C[N@@H+](Cc1ccccn1)Cc1ccccc1O2 ZINC000012088444 453346049 /nfs/dbraw/zinc/34/60/49/453346049.db2.gz XHODGBVYZJFPBC-UHFFFAOYSA-N 1 1 338.451 3.398 40 0 EGABMO C[C@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2cnccn2)cc1 ZINC000012182116 453346530 /nfs/dbraw/zinc/34/65/30/453346530.db2.gz AXTHRHCEIFJGDH-RDJZCZTQSA-N 1 1 338.455 3.249 40 0 EGABMO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc(OC)c1 ZINC000013265226 453454919 /nfs/dbraw/zinc/45/49/19/453454919.db2.gz DUWINFDRTPEGEJ-IFXJQAMLSA-N 1 1 325.412 3.064 40 0 EGABMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc(OC)c1 ZINC000013265226 453454927 /nfs/dbraw/zinc/45/49/27/453454927.db2.gz DUWINFDRTPEGEJ-IFXJQAMLSA-N 1 1 325.412 3.064 40 0 EGABMO CCC[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)n1nc(C)cc1C ZINC000019501822 453656410 /nfs/dbraw/zinc/65/64/10/453656410.db2.gz FBLRHEWWDRBUNR-SFHVURJKSA-N 1 1 334.508 3.222 40 0 EGABMO CCN1C(=O)CCC[C@@H]2[C@H]1CC[N@H+]2CCCCOCc1ccccc1 ZINC000019711655 453659022 /nfs/dbraw/zinc/65/90/22/453659022.db2.gz NKXWBSBYJZBDHR-WOJBJXKFSA-N 1 1 344.499 3.459 40 0 EGABMO CCCC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@@H](C)CC ZINC000026650603 453803845 /nfs/dbraw/zinc/80/38/45/453803845.db2.gz RQJGONUMUVXSCF-HNNXBMFYSA-N 1 1 333.476 3.228 40 0 EGABMO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccccc1 ZINC000035312105 453923589 /nfs/dbraw/zinc/92/35/89/453923589.db2.gz MQMAYLYRJOUAKP-KRWDZBQOSA-N 1 1 337.467 3.268 40 0 EGABMO Cc1cnc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)s1 ZINC000054379887 453926580 /nfs/dbraw/zinc/92/65/80/453926580.db2.gz PPBSDOZHFPFDAQ-DZGCQCFKSA-N 1 1 330.457 3.409 40 0 EGABMO COC(=O)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000038835159 453941727 /nfs/dbraw/zinc/94/17/27/453941727.db2.gz QFLHGRAOAIDPIB-UHFFFAOYSA-N 1 1 349.390 3.279 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000044903065 454125986 /nfs/dbraw/zinc/12/59/86/454125986.db2.gz ZOTQZAWBKZIJPJ-UHFFFAOYSA-N 1 1 349.434 3.493 40 0 EGABMO O=C(CCC1CCCC1)N1CC[N@@H+](Cc2ccccc2)CCC1=O ZINC000057773340 454145559 /nfs/dbraw/zinc/14/55/59/454145559.db2.gz GQHAWIRTQCNBHO-UHFFFAOYSA-N 1 1 328.456 3.218 40 0 EGABMO Cc1ccc(CN(CCC[NH+](C)C)Cc2nc(C)n3ccccc23)o1 ZINC000057810853 454147722 /nfs/dbraw/zinc/14/77/22/454147722.db2.gz YXMYILBVFVDTPU-UHFFFAOYSA-N 1 1 340.471 3.498 40 0 EGABMO C[C@H]1C[C@H](OC[C@H](O)C[N@@H+](CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000095532668 454229436 /nfs/dbraw/zinc/22/94/36/454229436.db2.gz FKQLTXLKHRPMII-SXLOBPIMSA-N 1 1 349.515 3.073 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)co1 ZINC000096040091 454267038 /nfs/dbraw/zinc/26/70/38/454267038.db2.gz CNHUYGNMIJEEPX-VQTJNVASSA-N 1 1 342.439 3.263 40 0 EGABMO CCOC[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2cn(C)nc21 ZINC000096044699 454268527 /nfs/dbraw/zinc/26/85/27/454268527.db2.gz ZSLSEGJNCHAAEO-OAHLLOKOSA-N 1 1 349.862 3.088 40 0 EGABMO O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](Cc3ccncc3)C2)C1 ZINC000096047028 454270110 /nfs/dbraw/zinc/27/01/10/454270110.db2.gz RDRXPHQEIMIUSO-IBGZPJMESA-N 1 1 341.480 3.271 40 0 EGABMO c1cc(C[NH+]2CCC3(CC2)CN(Cc2ccccc2)CCO3)co1 ZINC000096048948 454271894 /nfs/dbraw/zinc/27/18/94/454271894.db2.gz XJHCBZDIYUSRMH-UHFFFAOYSA-N 1 1 326.440 3.147 40 0 EGABMO c1coc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC000096057057 454274538 /nfs/dbraw/zinc/27/45/38/454274538.db2.gz BUNNGOZKQABPMI-HKUYNNGSSA-N 1 1 328.412 3.125 40 0 EGABMO [NH3+][C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1F ZINC000072227317 454274819 /nfs/dbraw/zinc/27/48/19/454274819.db2.gz APKJQAKURPCHJC-KGLIPLIRSA-N 1 1 335.176 3.003 40 0 EGABMO [NH3+][C@@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1F ZINC000072227314 454275563 /nfs/dbraw/zinc/27/55/63/454275563.db2.gz APKJQAKURPCHJC-UONOGXRCSA-N 1 1 335.176 3.003 40 0 EGABMO Cc1cccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Br)cc2)c1 ZINC000072227412 454275621 /nfs/dbraw/zinc/27/56/21/454275621.db2.gz CAQDNOQPAMOWBN-HUUCEWRRSA-N 1 1 331.213 3.173 40 0 EGABMO c1cc(C[N@H+]2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)cs1 ZINC000096065724 454279074 /nfs/dbraw/zinc/27/90/74/454279074.db2.gz MVNVOPJIEXMGQY-BZSNNMDCSA-N 1 1 330.453 3.092 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)cs1 ZINC000096065724 454279076 /nfs/dbraw/zinc/27/90/76/454279076.db2.gz MVNVOPJIEXMGQY-BZSNNMDCSA-N 1 1 330.453 3.092 40 0 EGABMO c1csc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCC3CCOCC3)C2)n1 ZINC000096109192 454286258 /nfs/dbraw/zinc/28/62/58/454286258.db2.gz IGPZDABBFUFXIX-AEFFLSMTSA-N 1 1 336.501 3.188 40 0 EGABMO O=C1NC2(C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Nc2ccccc21 ZINC000072342613 454293805 /nfs/dbraw/zinc/29/38/05/454293805.db2.gz GCDQDEGRKPDDRC-QRTHJKPMSA-N 1 1 333.435 3.365 40 0 EGABMO Cc1ccsc1C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccc(C)n1 ZINC000096184759 454299444 /nfs/dbraw/zinc/29/94/44/454299444.db2.gz BNYZDFQUNBBMKO-DLBZAZTESA-N 1 1 341.480 3.249 40 0 EGABMO Cc1ccsc1C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccc(C)n1 ZINC000096184759 454299448 /nfs/dbraw/zinc/29/94/48/454299448.db2.gz BNYZDFQUNBBMKO-DLBZAZTESA-N 1 1 341.480 3.249 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C(=O)[O-])C[NH+](CC4CC4)C[C@@H]3C2)s1 ZINC000096185194 454299901 /nfs/dbraw/zinc/29/99/01/454299901.db2.gz KDUWDCMKHCPTQR-LPHOPBHVSA-N 1 1 348.512 3.065 40 0 EGABMO Cc1ccc(C[NH+]2CCC[C@]3(C(=O)[O-])C[N@H+](CC4CC4)C[C@@H]3C2)s1 ZINC000096185194 454299905 /nfs/dbraw/zinc/29/99/05/454299905.db2.gz KDUWDCMKHCPTQR-LPHOPBHVSA-N 1 1 348.512 3.065 40 0 EGABMO Cc1ccc(C[NH+]2CCC[C@]3(C(=O)[O-])C[N@@H+](CC4CC4)C[C@@H]3C2)s1 ZINC000096185194 454299908 /nfs/dbraw/zinc/29/99/08/454299908.db2.gz KDUWDCMKHCPTQR-LPHOPBHVSA-N 1 1 348.512 3.065 40 0 EGABMO C[N@H+](Cc1cccnc1)Cc1cncc2c1CCN(c1ccccn1)C2 ZINC000096189525 454301643 /nfs/dbraw/zinc/30/16/43/454301643.db2.gz GSPLFFZAFARMPD-UHFFFAOYSA-N 1 1 345.450 3.066 40 0 EGABMO C[N@@H+](Cc1cccnc1)Cc1cncc2c1CCN(c1ccccn1)C2 ZINC000096189525 454301649 /nfs/dbraw/zinc/30/16/49/454301649.db2.gz GSPLFFZAFARMPD-UHFFFAOYSA-N 1 1 345.450 3.066 40 0 EGABMO c1cc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)cs1 ZINC000096208306 454304556 /nfs/dbraw/zinc/30/45/56/454304556.db2.gz IRJQSHRLDAYBEN-OAGGEKHMSA-N 1 1 345.468 3.088 40 0 EGABMO c1ccc(CC[N@H+]2CC[C@]3(C2)C[C@H](Nc2ccccn2)CCO3)cc1 ZINC000096206235 454304573 /nfs/dbraw/zinc/30/45/73/454304573.db2.gz QBAZLPMSPIWKNQ-TZIWHRDSSA-N 1 1 337.467 3.360 40 0 EGABMO COC[C@H]1CCC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)[N@H+]1C ZINC000096215846 454305482 /nfs/dbraw/zinc/30/54/82/454305482.db2.gz JIHFXEYEIZUMTE-MRXNPFEDSA-N 1 1 336.863 3.055 40 0 EGABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)CC1=CCCCC1)C2 ZINC000096209871 454305774 /nfs/dbraw/zinc/30/57/74/454305774.db2.gz LLACGEDGIBOREM-TZIWHRDSSA-N 1 1 346.515 3.084 40 0 EGABMO c1csc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000096208573 454306151 /nfs/dbraw/zinc/30/61/51/454306151.db2.gz RIWVNUKATQMCEP-MOPGFXCFSA-N 1 1 344.480 3.341 40 0 EGABMO Cc1cc(C[N@H+]2CC[C@]3(C2)CCCN(c2ccc(C)nn2)C3)oc1C ZINC000096217079 454307869 /nfs/dbraw/zinc/30/78/69/454307869.db2.gz RRFROSOVIIUGDV-FQEVSTJZSA-N 1 1 340.471 3.487 40 0 EGABMO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000096244868 454311029 /nfs/dbraw/zinc/31/10/29/454311029.db2.gz AFNXCDIAIYIGBI-MJGOQNOKSA-N 1 1 340.854 3.225 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3OCCN(c4cccnc4)[C@@H]3CC2)s1 ZINC000096249433 454312022 /nfs/dbraw/zinc/31/20/22/454312022.db2.gz RMXYOZYULYJJFG-RTBURBONSA-N 1 1 343.496 3.321 40 0 EGABMO Cc1cccc(C[N@@H+]2CCCc3c(n(C)nc3-c3cccnc3)C2)n1 ZINC000096254443 454313147 /nfs/dbraw/zinc/31/31/47/454313147.db2.gz AHFGNXPMQUBPNF-UHFFFAOYSA-N 1 1 333.439 3.134 40 0 EGABMO Cc1cccc(C[N@H+]2CCCc3c(n(C)nc3-c3cccnc3)C2)n1 ZINC000096254443 454313150 /nfs/dbraw/zinc/31/31/50/454313150.db2.gz AHFGNXPMQUBPNF-UHFFFAOYSA-N 1 1 333.439 3.134 40 0 EGABMO Cc1ccc(C[N@@H+]2CCc3onc(CNc4ncccn4)c3C2)s1 ZINC000096259740 454313327 /nfs/dbraw/zinc/31/33/27/454313327.db2.gz VIEQAERRLOMJTJ-UHFFFAOYSA-N 1 1 341.440 3.005 40 0 EGABMO Cc1ccc(C[N@H+]2CCc3onc(CNc4ncccn4)c3C2)s1 ZINC000096259740 454313331 /nfs/dbraw/zinc/31/33/31/454313331.db2.gz VIEQAERRLOMJTJ-UHFFFAOYSA-N 1 1 341.440 3.005 40 0 EGABMO Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2c(C)nn(C)c2C)o1 ZINC000096415005 454331401 /nfs/dbraw/zinc/33/14/01/454331401.db2.gz CGKZAJCPWCZLTB-INIZCTEOSA-N 1 1 344.459 3.494 40 0 EGABMO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2c(C)nn(C)c2C)o1 ZINC000096415005 454331404 /nfs/dbraw/zinc/33/14/04/454331404.db2.gz CGKZAJCPWCZLTB-INIZCTEOSA-N 1 1 344.459 3.494 40 0 EGABMO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000096414431 454331809 /nfs/dbraw/zinc/33/18/09/454331809.db2.gz XUOJEJSVBJBSSH-HIFRSBDPSA-N 1 1 342.405 3.342 40 0 EGABMO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000191086258 455439762 /nfs/dbraw/zinc/43/97/62/455439762.db2.gz LEJBIZCMXJDTRE-HNNXBMFYSA-N 1 1 340.320 3.469 40 0 EGABMO C[C@@H](c1cccnc1)N1CC[NH+](C[C@@H]2OCCc3ccccc32)CC1 ZINC000096424300 454337879 /nfs/dbraw/zinc/33/78/79/454337879.db2.gz NZSOVVZNEIOMTQ-UWJYYQICSA-N 1 1 337.467 3.074 40 0 EGABMO CC(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)c2nc(C)c(C)s2)c1 ZINC000096443577 454351554 /nfs/dbraw/zinc/35/15/54/454351554.db2.gz ATDCPXGFKMAGFU-UHFFFAOYSA-N 1 1 345.468 3.426 40 0 EGABMO CCc1noc(C)c1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000096466172 454360435 /nfs/dbraw/zinc/36/04/35/454360435.db2.gz ICDRLPCEPKQSRJ-UHFFFAOYSA-N 1 1 329.444 3.014 40 0 EGABMO CCc1noc(C)c1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000096466172 454360437 /nfs/dbraw/zinc/36/04/37/454360437.db2.gz ICDRLPCEPKQSRJ-UHFFFAOYSA-N 1 1 329.444 3.014 40 0 EGABMO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000096478609 454363845 /nfs/dbraw/zinc/36/38/45/454363845.db2.gz GCNWWQDKSCLWCN-CHWSQXEVSA-N 1 1 341.390 3.222 40 0 EGABMO O=C(C[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1)NCc1cccnc1 ZINC000096481044 454364079 /nfs/dbraw/zinc/36/40/79/454364079.db2.gz UDWPDENOQWXMBO-FPOVZHCZSA-N 1 1 335.451 3.099 40 0 EGABMO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@H](CO)C1 ZINC000096483159 454364752 /nfs/dbraw/zinc/36/47/52/454364752.db2.gz QQCQLJWBIRIREL-UWVGGRQHSA-N 1 1 342.226 3.419 40 0 EGABMO COc1cc(N[C@@H]2CCC[N@H+](Cc3cc(C)on3)C2)cc(OC)c1 ZINC000096481208 454364795 /nfs/dbraw/zinc/36/47/95/454364795.db2.gz RROJIBXHOPVNGY-CQSZACIVSA-N 1 1 331.416 3.077 40 0 EGABMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3cc(C)on3)C2)cc(OC)c1 ZINC000096481208 454364800 /nfs/dbraw/zinc/36/48/00/454364800.db2.gz RROJIBXHOPVNGY-CQSZACIVSA-N 1 1 331.416 3.077 40 0 EGABMO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)n(C)n1 ZINC000096491901 454369834 /nfs/dbraw/zinc/36/98/34/454369834.db2.gz QOPYWDGJMGAYRO-JTQLQIEISA-N 1 1 341.242 3.325 40 0 EGABMO Fc1ccc(OC[C@@H]2CCCO2)c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000097232139 454427650 /nfs/dbraw/zinc/42/76/50/454427650.db2.gz IFUSBAMEZKLWQD-BBWFWOEESA-N 1 1 334.435 3.422 40 0 EGABMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000080127380 454538120 /nfs/dbraw/zinc/53/81/20/454538120.db2.gz SFSLXEHEVAEUIE-WDEREUQCSA-N 1 1 345.306 3.072 40 0 EGABMO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000136495919 454744896 /nfs/dbraw/zinc/74/48/96/454744896.db2.gz OFPGUFMZCDPUAK-HBGVWJBISA-N 1 1 346.515 3.071 40 0 EGABMO C[N@@H+](CCOC[C@@H]1CCCO1)[C@H](c1ccccc1)c1ccccn1 ZINC000110617874 454849703 /nfs/dbraw/zinc/84/97/03/454849703.db2.gz NFDUSHVADZQGKA-AZUAARDMSA-N 1 1 326.440 3.298 40 0 EGABMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC1(Cl)Cl ZINC000110632663 454850275 /nfs/dbraw/zinc/85/02/75/454850275.db2.gz BGFZCIWJHPROPP-LSDHHAIUSA-N 1 1 341.282 3.161 40 0 EGABMO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H](C)c1ncc(C(C)(C)C)o1)CC2 ZINC000110657195 454850746 /nfs/dbraw/zinc/85/07/46/454850746.db2.gz LSVFZPRTOAOCCZ-RBSFLKMASA-N 1 1 336.476 3.285 40 0 EGABMO Cn1cc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c(-c2ccccc2)n1 ZINC000179987511 455111355 /nfs/dbraw/zinc/11/13/55/455111355.db2.gz LUESZUASKSVRPC-QGZVFWFLSA-N 1 1 347.466 3.416 40 0 EGABMO C[N@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000245339163 455282728 /nfs/dbraw/zinc/28/27/28/455282728.db2.gz QZCHMVSFUOCTTA-ZIAGYGMSSA-N 1 1 335.391 3.103 40 0 EGABMO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000245339163 455282729 /nfs/dbraw/zinc/28/27/29/455282729.db2.gz QZCHMVSFUOCTTA-ZIAGYGMSSA-N 1 1 335.391 3.103 40 0 EGABMO Cc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2COCc1ccncc1 ZINC000248131812 455685014 /nfs/dbraw/zinc/68/50/14/455685014.db2.gz BFPODVMZNURSTM-FQEVSTJZSA-N 1 1 338.451 3.198 40 0 EGABMO CCCC[C@@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000252537411 455819996 /nfs/dbraw/zinc/81/99/96/455819996.db2.gz LBPGTGXYRCEKLJ-NVXWUHKLSA-N 1 1 345.487 3.149 40 0 EGABMO Cc1nnc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000253418491 455842749 /nfs/dbraw/zinc/84/27/49/455842749.db2.gz QYXBSRYVHXQKCR-YOEHRIQHSA-N 1 1 330.501 3.331 40 0 EGABMO O=C(Cc1ccccc1)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CC1 ZINC000257278424 455882039 /nfs/dbraw/zinc/88/20/39/455882039.db2.gz OCFGMNDVUXYHJO-WOJBJXKFSA-N 1 1 326.484 3.485 40 0 EGABMO Cc1nn(C)c2nc([C@]3(C)CCC[N@@H+](Cc4cncs4)C3)ccc12 ZINC000257307047 455887653 /nfs/dbraw/zinc/88/76/53/455887653.db2.gz SWZSVRGHOTZCFC-GOSISDBHSA-N 1 1 341.484 3.287 40 0 EGABMO c1ccc(CC[N@H+]2CC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000257307659 455888059 /nfs/dbraw/zinc/88/80/59/455888059.db2.gz SZSIPAMLZQIJMG-QGZVFWFLSA-N 1 1 346.438 3.042 40 0 EGABMO Cc1cnc([C@H]2CCC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)s1 ZINC000257340643 455896054 /nfs/dbraw/zinc/89/60/54/455896054.db2.gz ZHAFHPKVWBQXAL-HNNXBMFYSA-N 1 1 343.500 3.221 40 0 EGABMO Cc1cc(Br)cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000195565610 455985901 /nfs/dbraw/zinc/98/59/01/455985901.db2.gz IUHKUBUZPWRXPR-WFASDCNBSA-N 1 1 339.277 3.312 40 0 EGABMO Cc1ccc(C(=O)N2CC[C@@H]([N@H+]3CCc4ccccc4C3)C2)s1 ZINC000225687345 456104419 /nfs/dbraw/zinc/10/44/19/456104419.db2.gz QXNOUHMOVSCDHH-QGZVFWFLSA-N 1 1 326.465 3.329 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)s1 ZINC000306134499 456567396 /nfs/dbraw/zinc/56/73/96/456567396.db2.gz NPISUZIGOSGJJX-USXIJHARSA-N 1 1 329.469 3.010 40 0 EGABMO CC[C@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2Cc2c(C)noc2C)CC1 ZINC000585099896 459823355 /nfs/dbraw/zinc/82/33/55/459823355.db2.gz VBTZSIZKKYLBQH-LIRRHRJNSA-N 1 1 333.476 3.437 40 0 EGABMO CCC(CC)C[N@H+]1CCC[C@]2(CN(Cc3c(C)noc3C)C2=O)C1 ZINC000585099590 459823469 /nfs/dbraw/zinc/82/34/69/459823469.db2.gz RTPUQAIJYKSSAT-LJQANCHMSA-N 1 1 333.476 3.152 40 0 EGABMO CC(C)CC[N@H+]1C[C@H]2CN(c3cc(C(F)(F)F)ncn3)CC[C@@H]21 ZINC000585108052 459825568 /nfs/dbraw/zinc/82/55/68/459825568.db2.gz XULICNQAFYJWBC-STQMWFEESA-N 1 1 328.382 3.052 40 0 EGABMO c1cc2ccc(C[N@H+]3CCC4(CC(Nc5ccncn5)C4)C3)cc2[nH]1 ZINC000585261368 459831113 /nfs/dbraw/zinc/83/11/13/459831113.db2.gz ZNTNXLJNIPJSPQ-UHFFFAOYSA-N 1 1 333.439 3.425 40 0 EGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1Cc1ccccc1 ZINC000306128918 547459927 /nfs/dbraw/zinc/45/99/27/547459927.db2.gz HOHVNQPPGQKCTE-WOJBJXKFSA-N 1 1 347.418 3.163 40 0 EGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccco3)C[C@H]2N1Cc1ccccc1 ZINC000306128918 547459928 /nfs/dbraw/zinc/45/99/28/547459928.db2.gz HOHVNQPPGQKCTE-WOJBJXKFSA-N 1 1 347.418 3.163 40 0 EGABMO Cn1nc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)c2nccnc21 ZINC000019289377 202002186 /nfs/dbraw/zinc/00/21/86/202002186.db2.gz JLPKGHKCPKLURG-LBPRGKRZSA-N 1 1 343.381 3.021 40 0 EGABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1F ZINC000019292847 202002971 /nfs/dbraw/zinc/00/29/71/202002971.db2.gz AAWCGOGNCNQTFA-AWEZNQCLSA-N 1 1 342.349 3.399 40 0 EGABMO O=c1oc2ccc(Cl)cc2n1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019346009 202005757 /nfs/dbraw/zinc/00/57/57/202005757.db2.gz ODJVUHUWHIKHRL-HNNXBMFYSA-N 1 1 343.814 3.480 40 0 EGABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccccc3)C[C@H]2c2cccnc2)N1 ZINC000019372618 202006094 /nfs/dbraw/zinc/00/60/94/202006094.db2.gz NXLDKTDMYLECEV-PZJWPPBQSA-N 1 1 335.451 3.110 40 0 EGABMO O=C1N[C@]2(CC[N@@H+](Cc3cccc(F)c3F)C2)CCc2ccccc21 ZINC000019375254 202006999 /nfs/dbraw/zinc/00/69/99/202006999.db2.gz QEJVVOFHIUPOAC-FQEVSTJZSA-N 1 1 342.389 3.286 40 0 EGABMO O=C1N[C@]2(CC[N@H+](Cc3cccc(F)c3F)C2)CCc2ccccc21 ZINC000019375254 202007002 /nfs/dbraw/zinc/00/70/02/202007002.db2.gz QEJVVOFHIUPOAC-FQEVSTJZSA-N 1 1 342.389 3.286 40 0 EGABMO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCC[C@@H](Cn2ccnc2C)C1 ZINC000019659013 202014667 /nfs/dbraw/zinc/01/46/67/202014667.db2.gz UYJOLYAYVHWBQF-GOSISDBHSA-N 1 1 337.471 3.368 40 0 EGABMO CNc1ncccc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000022915960 202094893 /nfs/dbraw/zinc/09/48/93/202094893.db2.gz PNUPCGUREBMULP-PMACEKPBSA-N 1 1 336.483 3.015 40 0 EGABMO C[C@H]1C[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000035031615 202285426 /nfs/dbraw/zinc/28/54/26/202285426.db2.gz AOJZWBFZAWYLFD-ZWOKBUDYSA-N 1 1 341.451 3.203 40 0 EGABMO Cc1ccsc1C[N@@H+](CCCN1CCOCC1)Cc1ccccn1 ZINC000036741269 202330047 /nfs/dbraw/zinc/33/00/47/202330047.db2.gz PBHIHYNLRXTMSO-UHFFFAOYSA-N 1 1 345.512 3.176 40 0 EGABMO Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000076330231 202387155 /nfs/dbraw/zinc/38/71/55/202387155.db2.gz JLPTXEAUMNOSPG-CQSZACIVSA-N 1 1 339.867 3.007 40 0 EGABMO Cc1nc(C2CC[NH+](Cn3ccc(-c4ccc(F)cc4)n3)CC2)no1 ZINC000078404902 202389765 /nfs/dbraw/zinc/38/97/65/202389765.db2.gz UWSFXHYFRVAVJO-UHFFFAOYSA-N 1 1 341.390 3.218 40 0 EGABMO CS(=O)(=O)[C@@H]1CCC[N@@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000283272346 201330263 /nfs/dbraw/zinc/33/02/63/201330263.db2.gz WRZUGQKRJQYIHS-GOSISDBHSA-N 1 1 329.465 3.285 40 0 EGABMO CS(=O)(=O)[C@@H]1CCC[N@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000283272346 201330265 /nfs/dbraw/zinc/33/02/65/201330265.db2.gz WRZUGQKRJQYIHS-GOSISDBHSA-N 1 1 329.465 3.285 40 0 EGABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2c(F)cccc2F)C1 ZINC000225736815 242012722 /nfs/dbraw/zinc/01/27/22/242012722.db2.gz MGMMJYHQDRAGKU-GFCCVEGCSA-N 1 1 327.444 3.373 40 0 EGABMO c1cc2n(c1)[C@@H](CCOc1ccccn1)C[N@@H+](CC1CCOCC1)C2 ZINC000253588696 244026743 /nfs/dbraw/zinc/02/67/43/244026743.db2.gz OVMDOAFXWSENPJ-IBGZPJMESA-N 1 1 341.455 3.136 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)Cc1cnc2ncccn12 ZINC000093318756 203185012 /nfs/dbraw/zinc/18/50/12/203185012.db2.gz KLRXURUBQSOWPT-XLIONFOSSA-N 1 1 349.482 3.072 40 0 EGABMO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000072372065 203209262 /nfs/dbraw/zinc/20/92/62/203209262.db2.gz QPOXUWAYFUSXCN-LLVKDONJSA-N 1 1 325.334 3.127 40 0 EGABMO CSc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)cc1 ZINC000072372995 203209428 /nfs/dbraw/zinc/20/94/28/203209428.db2.gz HNLGFJPBYMKRCE-LSDHHAIUSA-N 1 1 341.480 3.344 40 0 EGABMO Cc1ccccc1CNC(=O)c1ccccc1-n1cnc(C[NH+](C)C)c1 ZINC000257244647 244253444 /nfs/dbraw/zinc/25/34/44/244253444.db2.gz IMEVLEAKHCGCDY-UHFFFAOYSA-N 1 1 348.450 3.172 40 0 EGABMO c1cc2ccc(C[C@@H]3COCC[N@H+](CC4CCOCC4)C3)cc2o1 ZINC000257236145 244230308 /nfs/dbraw/zinc/23/03/08/244230308.db2.gz HAYUHTRDXAKSDB-SFHVURJKSA-N 1 1 329.440 3.350 40 0 EGABMO Cc1nc(C)c(CC(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@@H+]3C)s1 ZINC000257239740 244237809 /nfs/dbraw/zinc/23/78/09/244237809.db2.gz HQPMRCHEQZBBKJ-WMZOPIPTSA-N 1 1 335.517 3.168 40 0 EGABMO O=C(C1CCC1)N1CC[N@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355147 203204835 /nfs/dbraw/zinc/20/48/35/203204835.db2.gz DHSQUWOJKQTKEZ-QGZVFWFLSA-N 1 1 341.499 3.127 40 0 EGABMO Cc1nc(Nc2cnccn2)cc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072360205 203205331 /nfs/dbraw/zinc/20/53/31/203205331.db2.gz MLEGDOORSCUIIC-KRWDZBQOSA-N 1 1 347.426 3.051 40 0 EGABMO Cc1nc(Nc2cnccn2)cc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072360205 203205335 /nfs/dbraw/zinc/20/53/35/203205335.db2.gz MLEGDOORSCUIIC-KRWDZBQOSA-N 1 1 347.426 3.051 40 0 EGABMO Cc1cc(CCC(=O)Nc2ccon2)cc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072366889 203208135 /nfs/dbraw/zinc/20/81/35/203208135.db2.gz CMQBTSAAJJCQQU-QGZVFWFLSA-N 1 1 342.443 3.495 40 0 EGABMO c1ccc(Nc2nccc([C@H]3CCC[N@H+]3Cc3cccnc3)n2)nc1 ZINC000072377631 203208502 /nfs/dbraw/zinc/20/85/02/203208502.db2.gz PQNJRFAWKVTDIH-QGZVFWFLSA-N 1 1 332.411 3.347 40 0 EGABMO c1ccc(Nc2nccc([C@H]3CCC[N@@H+]3Cc3cccnc3)n2)nc1 ZINC000072377631 203208506 /nfs/dbraw/zinc/20/85/06/203208506.db2.gz PQNJRFAWKVTDIH-QGZVFWFLSA-N 1 1 332.411 3.347 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389905 203213227 /nfs/dbraw/zinc/21/32/27/203213227.db2.gz CNGHYAQGIRIKFZ-INIZCTEOSA-N 1 1 336.395 3.130 40 0 EGABMO Cc1cc(-c2nccn2C)nc([C@H]2CC[N@@H+](Cc3ccsc3)C2)n1 ZINC000257271800 244379466 /nfs/dbraw/zinc/37/94/66/244379466.db2.gz MZVVBMGWFCRLTK-HNNXBMFYSA-N 1 1 339.468 3.237 40 0 EGABMO Cc1nc(C[N@@H+]2CCC[C@]3(C[C@@H](Nc4ccccn4)CO3)C2)cs1 ZINC000107228417 204228279 /nfs/dbraw/zinc/22/82/79/204228279.db2.gz QVHISMZMIDJTDG-QAPCUYQASA-N 1 1 344.484 3.082 40 0 EGABMO Cc1nc(C[N@H+]2CCC[C@]3(C[C@@H](Nc4ccccn4)CO3)C2)cs1 ZINC000107228417 204228283 /nfs/dbraw/zinc/22/82/83/204228283.db2.gz QVHISMZMIDJTDG-QAPCUYQASA-N 1 1 344.484 3.082 40 0 EGABMO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)NC(=O)Nc1ccccc1 ZINC000048368268 204350687 /nfs/dbraw/zinc/35/06/87/204350687.db2.gz WDEDKFMCVIBFIW-HNNXBMFYSA-N 1 1 329.425 3.233 40 0 EGABMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)NC(=O)Nc1ccccc1 ZINC000048368268 204350692 /nfs/dbraw/zinc/35/06/92/204350692.db2.gz WDEDKFMCVIBFIW-HNNXBMFYSA-N 1 1 329.425 3.233 40 0 EGABMO CC[N@@H+](C)[C@@H]1CN(C(=O)COc2ccccc2)C2(C1)CCCCC2 ZINC000257275271 284367898 /nfs/dbraw/zinc/36/78/98/284367898.db2.gz NOQMNWLELPWVGH-KRWDZBQOSA-N 1 1 330.472 3.321 40 0 EGABMO Cc1noc(C)c1C[NH2+]Cc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000095410394 218347442 /nfs/dbraw/zinc/34/74/42/218347442.db2.gz YZURNTVCKKIJGP-OKILXGFUSA-N 1 1 329.444 3.195 40 0 EGABMO C[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@@H]1CCCOC1 ZINC000097099686 323214857 /nfs/dbraw/zinc/21/48/57/323214857.db2.gz BKBOJRUOBCLKKY-NSHDSACASA-N 1 1 338.249 3.184 40 0 EGABMO C[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)C[C@@H]1CCCOC1 ZINC000097099686 323214861 /nfs/dbraw/zinc/21/48/61/323214861.db2.gz BKBOJRUOBCLKKY-NSHDSACASA-N 1 1 338.249 3.184 40 0 EGABMO C[N@H+](Cc1nc2ccc(Br)cc2[nH]1)C[C@@H]1CCCOC1 ZINC000097099686 323214863 /nfs/dbraw/zinc/21/48/63/323214863.db2.gz BKBOJRUOBCLKKY-NSHDSACASA-N 1 1 338.249 3.184 40 0 EGABMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000113266097 323216272 /nfs/dbraw/zinc/21/62/72/323216272.db2.gz WKULRCIQXPXTAM-CQSZACIVSA-N 1 1 348.878 3.192 40 0 EGABMO CCOc1ccc2nc(NC(=O)C[NH+]3CCC(C)CC3)sc2c1 ZINC000008570130 453216084 /nfs/dbraw/zinc/21/60/84/453216084.db2.gz RQCAHLQQNWYQRG-UHFFFAOYSA-N 1 1 333.457 3.365 40 0 EGABMO COc1cccc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc(C)on2)c1 ZINC000009980187 453269692 /nfs/dbraw/zinc/26/96/92/453269692.db2.gz HOOAKZSKMXCEGQ-MRXNPFEDSA-N 1 1 329.400 3.157 40 0 EGABMO C[NH+]1CCN(c2ncc(-c3ccccn3)c(-c3cccs3)n2)CC1 ZINC000012222478 453349319 /nfs/dbraw/zinc/34/93/19/453349319.db2.gz RGSDKYHUWXEDBV-UHFFFAOYSA-N 1 1 337.452 3.019 40 0 EGABMO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)n2)c1 ZINC000015674365 453581735 /nfs/dbraw/zinc/58/17/35/453581735.db2.gz GHDJLKQFTDXCKU-MSOLQXFVSA-N 1 1 335.407 3.353 40 0 biogenic,in-vitro EGABMO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)n2)c1 ZINC000015674365 453581740 /nfs/dbraw/zinc/58/17/40/453581740.db2.gz GHDJLKQFTDXCKU-MSOLQXFVSA-N 1 1 335.407 3.353 40 0 biogenic,in-vitro EGABMO COc1ccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+](C)C)cc1Cl ZINC000015860365 453587666 /nfs/dbraw/zinc/58/76/66/453587666.db2.gz NEIUXXKTHQMLKP-CQSZACIVSA-N 1 1 336.819 3.283 40 0 EGABMO CC(=O)c1ccc(N2CC[NH+](Cn3cnc4ccccc43)CC2)cc1 ZINC000019356998 453656863 /nfs/dbraw/zinc/65/68/63/453656863.db2.gz UCXXAQYAYDDJOY-UHFFFAOYSA-N 1 1 334.423 3.019 40 0 EGABMO COc1ccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4ccoc4)C3)C2)cc1 ZINC000096047606 454270493 /nfs/dbraw/zinc/27/04/93/454270493.db2.gz ALNHPADQVLGLED-IEBWSBKVSA-N 1 1 328.412 3.134 40 0 EGABMO O=C(c1ccsc1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096046657 454270526 /nfs/dbraw/zinc/27/05/26/454270526.db2.gz TYQKBMKOBYEFGR-UHFFFAOYSA-N 1 1 341.480 3.271 40 0 EGABMO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccccn1)CC2 ZINC000096051591 454272281 /nfs/dbraw/zinc/27/22/81/454272281.db2.gz SSKOPQGXDIYBBZ-SFHVURJKSA-N 1 1 339.439 3.191 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccoc2)C[C@]12CCN(c1ccccn1)C2 ZINC000096051141 454272887 /nfs/dbraw/zinc/27/28/87/454272887.db2.gz HKTBKJUXFGVCAM-KRWDZBQOSA-N 1 1 333.382 3.412 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccoc2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096051124 454273078 /nfs/dbraw/zinc/27/30/78/454273078.db2.gz ASTQOGNBZWPPLS-QGZVFWFLSA-N 1 1 333.382 3.412 40 0 EGABMO Fc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)cc1 ZINC000096055442 454274746 /nfs/dbraw/zinc/27/47/46/454274746.db2.gz URGYCQMESLOYOG-NZSAHSFTSA-N 1 1 342.414 3.279 40 0 EGABMO Fc1ccc(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)cc1 ZINC000096055442 454274752 /nfs/dbraw/zinc/27/47/52/454274752.db2.gz URGYCQMESLOYOG-NZSAHSFTSA-N 1 1 342.414 3.279 40 0 EGABMO COc1cccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000072227768 454276169 /nfs/dbraw/zinc/27/61/69/454276169.db2.gz SUXURGATXKYYCX-HUUCEWRRSA-N 1 1 336.313 3.129 40 0 EGABMO c1cc(C[N@H+]2CCO[C@H]3C[C@@H](COCc4cccnc4)C[C@@H]32)cs1 ZINC000096082866 454279411 /nfs/dbraw/zinc/27/94/11/454279411.db2.gz CXZNTOXUFZSLSA-FHWLQOOXSA-N 1 1 344.480 3.339 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@H]3C[C@@H](COCc4cccnc4)C[C@@H]32)cs1 ZINC000096082866 454279417 /nfs/dbraw/zinc/27/94/17/454279417.db2.gz CXZNTOXUFZSLSA-FHWLQOOXSA-N 1 1 344.480 3.339 40 0 EGABMO COc1ccc2c(c1)C1(CCN(Cc3cccnc3)CC1)[N@H+](C)CC2 ZINC000096100217 454282425 /nfs/dbraw/zinc/28/24/25/454282425.db2.gz OOSXHDDZVHDTBG-UHFFFAOYSA-N 1 1 337.467 3.069 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](Cc3nccs3)CC[C@H]2OC)cc1 ZINC000096110234 454285375 /nfs/dbraw/zinc/28/53/75/454285375.db2.gz OUZOPJAAKZHYDM-DOTOQJQBSA-N 1 1 332.469 3.231 40 0 EGABMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)[C@@H](C)OCCC(C)C)c1 ZINC000096134032 454290637 /nfs/dbraw/zinc/29/06/37/454290637.db2.gz ZOJGAMUNRQVMJU-MRXNPFEDSA-N 1 1 343.471 3.307 40 0 EGABMO Fc1ccc(C[N@H+]2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cc1 ZINC000096187124 454299652 /nfs/dbraw/zinc/29/96/52/454299652.db2.gz ZRIQIERUIDHNBE-AABGKKOBSA-N 1 1 342.414 3.169 40 0 EGABMO CCc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3Cc2cccnc2)o1 ZINC000096186345 454300449 /nfs/dbraw/zinc/30/04/49/454300449.db2.gz GPUAFJRULIKSGX-OALUTQOASA-N 1 1 339.439 3.003 40 0 EGABMO Cc1nc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)cs1 ZINC000096200547 454302583 /nfs/dbraw/zinc/30/25/83/454302583.db2.gz NTZAUROWJBHCHH-OALUTQOASA-N 1 1 343.496 3.459 40 0 EGABMO Cc1nc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)cs1 ZINC000096200547 454302589 /nfs/dbraw/zinc/30/25/89/454302589.db2.gz NTZAUROWJBHCHH-OALUTQOASA-N 1 1 343.496 3.459 40 0 EGABMO CCOC[C@@H]1CCC2(CCN(C(=O)C3CC=CC3)CC2)[N@H+]1CC1CC1 ZINC000096206668 454303981 /nfs/dbraw/zinc/30/39/81/454303981.db2.gz LFSBWHHBIAWWPC-IBGZPJMESA-N 1 1 346.515 3.225 40 0 EGABMO COC[C@@H]1CCC2(CCN(C(=O)c3cccc(Cl)c3)CC2)[N@H+]1C ZINC000096206515 454304406 /nfs/dbraw/zinc/30/44/06/454304406.db2.gz NTQMBBCRFBFMSL-INIZCTEOSA-N 1 1 336.863 3.055 40 0 EGABMO C[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(=O)C1=CCCCC1)CC2 ZINC000096209453 454305788 /nfs/dbraw/zinc/30/57/88/454305788.db2.gz LBRBQRAQCJQHPM-LJQANCHMSA-N 1 1 346.515 3.226 40 0 EGABMO Cc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC000096216138 454306074 /nfs/dbraw/zinc/30/60/74/454306074.db2.gz OKOXZNXKKKMTLC-OAQYLSRUSA-N 1 1 336.483 3.273 40 0 EGABMO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC000096216138 454306079 /nfs/dbraw/zinc/30/60/79/454306079.db2.gz OKOXZNXKKKMTLC-OAQYLSRUSA-N 1 1 336.483 3.273 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC000096216138 454306083 /nfs/dbraw/zinc/30/60/83/454306083.db2.gz OKOXZNXKKKMTLC-OAQYLSRUSA-N 1 1 336.483 3.273 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccccn2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096239608 454310591 /nfs/dbraw/zinc/31/05/91/454310591.db2.gz KAHDZXUOMSPHTH-GOSISDBHSA-N 1 1 344.409 3.214 40 0 EGABMO c1cc(C[N@H+]2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)cs1 ZINC000096249426 454311754 /nfs/dbraw/zinc/31/17/54/454311754.db2.gz KNYGNVSNACRDIW-ROUUACIJSA-N 1 1 329.469 3.013 40 0 EGABMO CNC(=O)CC[N@@H+](C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000096424556 454338617 /nfs/dbraw/zinc/33/86/17/454338617.db2.gz SBFZGPWHTQPOAK-HNNXBMFYSA-N 1 1 326.440 3.491 40 0 EGABMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CCCOc2ccccc21 ZINC000096427185 454340231 /nfs/dbraw/zinc/34/02/31/454340231.db2.gz LLGKMYQHWSHCOT-MRXNPFEDSA-N 1 1 327.428 3.427 40 0 EGABMO CCCC(=O)Nc1cccc(NC(=O)N2CCC[N@H+](CCC)CC2)c1 ZINC000079028683 454357952 /nfs/dbraw/zinc/35/79/52/454357952.db2.gz YWOYOUPDJDUGFN-UHFFFAOYSA-N 1 1 346.475 3.375 40 0 EGABMO CN(C(=O)CCc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000080504346 454591676 /nfs/dbraw/zinc/59/16/76/454591676.db2.gz WFSGJFLJXMFTRS-FQEVSTJZSA-N 1 1 337.467 3.137 40 0 EGABMO COCc1c(Cl)cccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000092929078 454655293 /nfs/dbraw/zinc/65/52/93/454655293.db2.gz BZQVIIYBNCHSHD-QWHCGFSZSA-N 1 1 337.851 3.187 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](Oc4ncccn4)CO3)C2)s1 ZINC000107228209 454747271 /nfs/dbraw/zinc/74/72/71/454747271.db2.gz HECZIZUNNFBAFD-CRAIPNDOSA-N 1 1 345.468 3.049 40 0 EGABMO CC(C)n1c2ccccc2nc1[C@H](C)[NH2+]CC(=O)Nc1ccncc1 ZINC000162280475 454764135 /nfs/dbraw/zinc/76/41/35/454764135.db2.gz MMWJTQKKBSURQF-AWEZNQCLSA-N 1 1 337.427 3.302 40 0 EGABMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000108907052 454816100 /nfs/dbraw/zinc/81/61/00/454816100.db2.gz ADKQBIMUXYEMLN-AAEUAGOBSA-N 1 1 345.270 3.361 40 0 EGABMO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126889654 454925096 /nfs/dbraw/zinc/92/50/96/454925096.db2.gz SJNLUQAHIHTRMA-HZPDHXFCSA-N 1 1 342.443 3.098 40 0 EGABMO Cc1c([C@H](C)[NH2+][C@H](C)c2nccn2C)cnn1-c1ccc(F)cc1 ZINC000182671822 455566111 /nfs/dbraw/zinc/56/61/11/455566111.db2.gz BJKIWNCTJVCHQA-QWHCGFSZSA-N 1 1 327.407 3.465 40 0 EGABMO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000248029660 455671770 /nfs/dbraw/zinc/67/17/70/455671770.db2.gz LLWIZLBKLBCCPJ-HNNXBMFYSA-N 1 1 347.509 3.123 40 0 EGABMO c1cc2c(cccc2C[NH+]2CC3(C2)C[C@@H](Oc2ccccn2)CCO3)[nH]1 ZINC000248087908 455680643 /nfs/dbraw/zinc/68/06/43/455680643.db2.gz LKXHMIZHBKFXLP-KRWDZBQOSA-N 1 1 349.434 3.375 40 0 EGABMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12Cc1ccccc1C2=O ZINC000248322756 455703780 /nfs/dbraw/zinc/70/37/80/455703780.db2.gz WWALFQLIWFZCOO-SIKLNZKXSA-N 1 1 349.430 3.107 40 0 EGABMO COC1(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CCOCC1 ZINC000253415274 455841394 /nfs/dbraw/zinc/84/13/94/455841394.db2.gz HPVRMZDMNWRUKC-MRXNPFEDSA-N 1 1 346.471 3.053 40 0 EGABMO O[C@@H]1C[C@H](c2ccccc2C(F)(F)F)[N@@H+](CC2=CCCOC2)C1 ZINC000253417067 455841944 /nfs/dbraw/zinc/84/19/44/455841944.db2.gz CMNZBURXCCECBS-CZUORRHYSA-N 1 1 327.346 3.160 40 0 EGABMO Cn1cncc1C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2ccccn2)c1 ZINC000257326987 455891911 /nfs/dbraw/zinc/89/19/11/455891911.db2.gz WZJIHDPLEYJPGU-QGZVFWFLSA-N 1 1 334.427 3.291 40 0 EGABMO Cn1cncc1C[N@H+]1CCC[C@@H]1c1ccnc(Nc2ccccn2)c1 ZINC000257326987 455891917 /nfs/dbraw/zinc/89/19/17/455891917.db2.gz WZJIHDPLEYJPGU-QGZVFWFLSA-N 1 1 334.427 3.291 40 0 EGABMO C[C@H](Cc1ccccc1)C[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000195569265 455985992 /nfs/dbraw/zinc/98/59/92/455985992.db2.gz IDUGHYPRXVNPLH-GOSISDBHSA-N 1 1 337.467 3.108 40 0 EGABMO C[C@@H](Cc1ccccc1)C[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000195569263 455986173 /nfs/dbraw/zinc/98/61/73/455986173.db2.gz IDUGHYPRXVNPLH-SFHVURJKSA-N 1 1 337.467 3.108 40 0 EGABMO C[C@@H](O)[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CN(Cc1ccccc1)CC2 ZINC000219773655 456036713 /nfs/dbraw/zinc/03/67/13/456036713.db2.gz VYLVOHNDVSEGOP-CIQXWFTPSA-N 1 1 336.479 3.220 40 0 EGABMO CCCCOCc1cc(C(=O)N2CC[NH+](CC)CC2)ccc1OCC ZINC000224731339 456070089 /nfs/dbraw/zinc/07/00/89/456070089.db2.gz NBZAFGHPJBJHOS-UHFFFAOYSA-N 1 1 348.487 3.180 40 0 EGABMO COc1cc(C)c(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1F ZINC000585101429 459823030 /nfs/dbraw/zinc/82/30/30/459823030.db2.gz MRYZVZROKXDTQB-ZDUSSCGKSA-N 1 1 337.439 3.385 40 0 EGABMO C[N@@H+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@@H]1c1ccccc1 ZINC000585182483 459831582 /nfs/dbraw/zinc/83/15/82/459831582.db2.gz SQPBPTBUEKHCCQ-LJQANCHMSA-N 1 1 348.450 3.011 40 0 EGABMO C[N@H+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@@H]1c1ccccc1 ZINC000585182483 459831587 /nfs/dbraw/zinc/83/15/87/459831587.db2.gz SQPBPTBUEKHCCQ-LJQANCHMSA-N 1 1 348.450 3.011 40 0 EGABMO Cc1cccc(OC[C@]2(O)COCC[N@H+](C3CCC(C)(C)CC3)C2)c1 ZINC000585285187 459832438 /nfs/dbraw/zinc/83/24/38/459832438.db2.gz CROLUMUOZAYBLE-OAQYLSRUSA-N 1 1 347.499 3.406 40 0 EGABMO COc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)C[C@@H]2c2cccs2)cc1 ZINC000227150469 536798267 /nfs/dbraw/zinc/79/82/67/536798267.db2.gz XBOVYNUCTICSID-BBRMVZONSA-N 1 1 345.468 3.224 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H](F)[C@@]3(CCN(C(=O)c4ccco4)C3)C2)o1 ZINC000306125654 547459612 /nfs/dbraw/zinc/45/96/12/547459612.db2.gz CXBOOBAJAYUFNG-HKUYNNGSSA-N 1 1 346.402 3.257 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1 ZINC000028239541 1291303349 /nfs/dbraw/zinc/30/33/49/1291303349.db2.gz GHJWQKMIYZJYLO-UHFFFAOYSA-N 1 1 349.316 3.185 40 0 EGABMO Oc1cc(Cl)cc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000894570043 1308960322 /nfs/dbraw/zinc/96/03/22/1308960322.db2.gz RNFCRWMIVQOKED-QGZVFWFLSA-N 1 1 332.831 3.224 40 0 EGABMO C[N@H+]1CCCN(C(=O)c2cccnc2Sc2ccccc2)CC1 ZINC000039264319 213232789 /nfs/dbraw/zinc/23/27/89/213232789.db2.gz CAAYHVXFPCMEGF-UHFFFAOYSA-N 1 1 327.453 3.011 40 0 EGABMO [NH2+]=C1CN(C(=O)c2ccc(Br)cc2)Cc2ccccc21 ZINC000028527110 283269443 /nfs/dbraw/zinc/26/94/43/283269443.db2.gz RVXUPAAPNPNYKF-UHFFFAOYSA-N 1 1 329.197 3.473 40 0 EGABMO CCOc1c(Cl)cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1OC ZINC000072324688 216151121 /nfs/dbraw/zinc/15/11/21/216151121.db2.gz KZURJJCKLMCGII-HIFRSBDPSA-N 1 1 338.879 3.416 40 0 EGABMO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357954 216165415 /nfs/dbraw/zinc/16/54/15/216165415.db2.gz YZOCKHFAGDTBLS-LJQANCHMSA-N 1 1 341.430 3.037 40 0 EGABMO CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357954 216165418 /nfs/dbraw/zinc/16/54/18/216165418.db2.gz YZOCKHFAGDTBLS-LJQANCHMSA-N 1 1 341.430 3.037 40 0 EGABMO Cc1cnc(NC(=O)CCc2cc(C)nc([C@@H]3CCC[N@@H+]3C)c2)s1 ZINC000072366844 216171642 /nfs/dbraw/zinc/17/16/42/216171642.db2.gz AQYGPWZOWCOIJE-INIZCTEOSA-N 1 1 344.484 3.493 40 0 EGABMO c1ccc(CC[N@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377572 216179976 /nfs/dbraw/zinc/17/99/76/216179976.db2.gz PTOVMDNXRSCZJI-SFHVURJKSA-N 1 1 346.438 3.390 40 0 EGABMO COc1ccccc1COC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000073368804 216381890 /nfs/dbraw/zinc/38/18/90/216381890.db2.gz KKFLYCQTSJXWSB-WOJBJXKFSA-N 1 1 341.451 3.410 40 0 EGABMO O[C@](CC[NH+]1CCOCC1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000020806254 212173551 /nfs/dbraw/zinc/17/35/51/212173551.db2.gz LHWCWUJAYYNBCH-LJQANCHMSA-N 1 1 331.843 3.298 40 0 EGABMO c1nc(C[NH+]2CCC(c3ccnc(Nc4ccccn4)c3)CC2)c[nH]1 ZINC000257218412 244173637 /nfs/dbraw/zinc/17/36/37/244173637.db2.gz DDBFEXYXYMIECM-UHFFFAOYSA-N 1 1 334.427 3.323 40 0 EGABMO Cc1ncsc1C[N@H+]1CCC[C@H]1c1cc(-c2ncc[nH]2)nc(C)n1 ZINC000257233201 244220103 /nfs/dbraw/zinc/22/01/03/244220103.db2.gz GOFROWLXVKDFOQ-HNNXBMFYSA-N 1 1 340.456 3.277 40 0 EGABMO C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)C1CC1 ZINC000019590801 212048001 /nfs/dbraw/zinc/04/80/01/212048001.db2.gz NMEDAYODZYVFBG-OTWHNJEPSA-N 1 1 330.447 3.405 40 0 EGABMO C[NH+](C)CCN(Cc1cccs1)Cc1[nH]nnc1-c1ccccc1 ZINC000019582663 212047622 /nfs/dbraw/zinc/04/76/22/212047622.db2.gz JNAMTTAICOYQSV-UHFFFAOYSA-N 1 1 341.484 3.097 40 0 EGABMO CCc1ccc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)o1 ZINC000019522920 212036839 /nfs/dbraw/zinc/03/68/39/212036839.db2.gz MNORGWWSWVOCMK-AWEZNQCLSA-N 1 1 339.443 3.155 40 0 EGABMO C[C@H](C[N@@H+]1CCc2nc([C@@H]3CCCCN3)ncc2C1)c1ccccc1 ZINC000019456387 212029755 /nfs/dbraw/zinc/02/97/55/212029755.db2.gz QFPMVKDOFNKWCF-UZLBHIALSA-N 1 1 336.483 3.453 40 0 EGABMO C[C@H](C[N@H+]1CCc2nc([C@@H]3CCCCN3)ncc2C1)c1ccccc1 ZINC000019456387 212029758 /nfs/dbraw/zinc/02/97/58/212029758.db2.gz QFPMVKDOFNKWCF-UZLBHIALSA-N 1 1 336.483 3.453 40 0 EGABMO O=C(Nc1cccc2[nH]ccc21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078102409 217022163 /nfs/dbraw/zinc/02/21/63/217022163.db2.gz UYOSREDPOICHOO-LJQANCHMSA-N 1 1 335.407 3.007 40 0 EGABMO O=C(Nc1cccc2[nH]ccc21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078102409 217022164 /nfs/dbraw/zinc/02/21/64/217022164.db2.gz UYOSREDPOICHOO-LJQANCHMSA-N 1 1 335.407 3.007 40 0 EGABMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000079333636 217210261 /nfs/dbraw/zinc/21/02/61/217210261.db2.gz QIXKIQCDYRSKHS-DOTOQJQBSA-N 1 1 341.455 3.408 40 0 EGABMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccccc2OC(F)F)C1 ZINC000378275949 169094856 /nfs/dbraw/zinc/09/48/56/169094856.db2.gz IIMRYGOYPBTEHC-HNNXBMFYSA-N 1 1 332.350 3.205 40 0 EGABMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccccc2OC(F)F)C1 ZINC000378275949 169094857 /nfs/dbraw/zinc/09/48/57/169094857.db2.gz IIMRYGOYPBTEHC-HNNXBMFYSA-N 1 1 332.350 3.205 40 0 EGABMO CC(C)CC(=O)N1C[C@H]2CCC[N@H+](Cc3cc(F)ccc3F)[C@H]2C1 ZINC000012188240 211313836 /nfs/dbraw/zinc/31/38/36/211313836.db2.gz CTFOXSJTLAWKMZ-KDOFPFPSSA-N 1 1 336.426 3.434 40 0 EGABMO CC(C)CC(=O)N1C[C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)[C@H]2C1 ZINC000012188240 211313839 /nfs/dbraw/zinc/31/38/39/211313839.db2.gz CTFOXSJTLAWKMZ-KDOFPFPSSA-N 1 1 336.426 3.434 40 0 EGABMO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)n1cnc2ccccc21 ZINC000012148559 211308125 /nfs/dbraw/zinc/30/81/25/211308125.db2.gz SGFVFIPOMBHZGP-AEFFLSMTSA-N 1 1 342.487 3.224 40 0 EGABMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCc2cccs2)c1 ZINC000009902934 211131728 /nfs/dbraw/zinc/13/17/28/211131728.db2.gz TYHWQAMFTDMYAS-QGZVFWFLSA-N 1 1 330.453 3.210 40 0 EGABMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)NCc2cccs2)c1 ZINC000009902934 211131732 /nfs/dbraw/zinc/13/17/32/211131732.db2.gz TYHWQAMFTDMYAS-QGZVFWFLSA-N 1 1 330.453 3.210 40 0 EGABMO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114425221 162231449 /nfs/dbraw/zinc/23/14/49/162231449.db2.gz PGQPCSVQHUHEHL-DFBGVHRSSA-N 1 1 326.362 3.052 40 0 EGABMO CNC(=O)c1sc2nc([C@H]3CCCC[N@H+]3CC3CC3)ccc2c1N ZINC000257323945 277262496 /nfs/dbraw/zinc/26/24/96/277262496.db2.gz WMNIPBDDHSRQHD-CQSZACIVSA-N 1 1 344.484 3.175 40 0 EGABMO OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccncc1 ZINC000241301087 455266473 /nfs/dbraw/zinc/26/64/73/455266473.db2.gz LQGXZETUVHFAIK-UFRUDQCGSA-N 1 1 344.405 3.460 40 0 EGABMO Cc1cc2nc([C@H]3CCC[N@@H+](CCCc4ccccc4)C3)cc(N)n2n1 ZINC000012667422 453391329 /nfs/dbraw/zinc/39/13/29/453391329.db2.gz JMPQJZMZFPOLBB-SFHVURJKSA-N 1 1 349.482 3.432 40 0 EGABMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000012763512 453400418 /nfs/dbraw/zinc/40/04/18/453400418.db2.gz SAJVXEOQRVZGIS-PBHICJAKSA-N 1 1 338.879 3.346 40 0 EGABMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000012763512 453400425 /nfs/dbraw/zinc/40/04/25/453400425.db2.gz SAJVXEOQRVZGIS-PBHICJAKSA-N 1 1 338.879 3.346 40 0 EGABMO Cc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)s1 ZINC000013569046 453472773 /nfs/dbraw/zinc/47/27/73/453472773.db2.gz DXYUNPFITSPGIZ-UHFFFAOYSA-N 1 1 345.512 3.176 40 0 EGABMO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014809094 453544682 /nfs/dbraw/zinc/54/46/82/453544682.db2.gz HRKGBASZZGXHGY-INIZCTEOSA-N 1 1 342.483 3.419 40 0 EGABMO Cc1ccc(O[C@H](C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1C ZINC000015831476 453586329 /nfs/dbraw/zinc/58/63/29/453586329.db2.gz LMFVJPSUEMCQAI-NVXWUHKLSA-N 1 1 330.428 3.083 40 0 EGABMO CC[N@H+](CCOc1ccc(C)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016554853 453611777 /nfs/dbraw/zinc/61/17/77/453611777.db2.gz GQRWEOBXJXABCR-UHFFFAOYSA-N 1 1 337.423 3.132 40 0 EGABMO CC[N@@H+](CCOc1ccc(C)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016554853 453611786 /nfs/dbraw/zinc/61/17/86/453611786.db2.gz GQRWEOBXJXABCR-UHFFFAOYSA-N 1 1 337.423 3.132 40 0 EGABMO COCc1ccccc1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000029666344 453830570 /nfs/dbraw/zinc/83/05/70/453830570.db2.gz NQCBMVAZHHHELP-INIZCTEOSA-N 1 1 338.451 3.010 40 0 EGABMO C[N@@H+](CCCNC(=O)N1CCc2ccccc2C1)Cc1ccccc1 ZINC000032795512 453891420 /nfs/dbraw/zinc/89/14/20/453891420.db2.gz RHXZYDLTUHRBRP-UHFFFAOYSA-N 1 1 337.467 3.276 40 0 EGABMO CCOC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000081746398 453907480 /nfs/dbraw/zinc/90/74/80/453907480.db2.gz DKTZYONPLPETIL-MJGOQNOKSA-N 1 1 348.462 3.065 40 0 EGABMO CCOC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000081746398 453907481 /nfs/dbraw/zinc/90/74/81/453907481.db2.gz DKTZYONPLPETIL-MJGOQNOKSA-N 1 1 348.462 3.065 40 0 EGABMO CC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000042757928 454024460 /nfs/dbraw/zinc/02/44/60/454024460.db2.gz PKWONUHYOSGDKP-LJQANCHMSA-N 1 1 337.423 3.410 40 0 EGABMO CC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000042757928 454024464 /nfs/dbraw/zinc/02/44/64/454024464.db2.gz PKWONUHYOSGDKP-LJQANCHMSA-N 1 1 337.423 3.410 40 0 EGABMO COc1cc(CN(C)C[C@H]2CC[N@@H+](C)C2)ccc1OC1CCCC1 ZINC000057811511 454148057 /nfs/dbraw/zinc/14/80/57/454148057.db2.gz HMUHTKQPTVOTGX-KRWDZBQOSA-N 1 1 332.488 3.400 40 0 EGABMO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000071873507 454238304 /nfs/dbraw/zinc/23/83/04/454238304.db2.gz OZONDJGFGFIMQN-YLJYHZDGSA-N 1 1 344.499 3.363 40 0 EGABMO O=C(c1cccs1)N1CCC[C@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096047013 454269880 /nfs/dbraw/zinc/26/98/80/454269880.db2.gz BMSJUPBLHHJIEP-QGZVFWFLSA-N 1 1 347.509 3.333 40 0 EGABMO O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096047013 454269887 /nfs/dbraw/zinc/26/98/87/454269887.db2.gz BMSJUPBLHHJIEP-QGZVFWFLSA-N 1 1 347.509 3.333 40 0 EGABMO O=C(c1ccsc1)N1CCC2(CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC000096046659 454270515 /nfs/dbraw/zinc/27/05/15/454270515.db2.gz JORBTIDJYLTDMO-UHFFFAOYSA-N 1 1 348.512 3.103 40 0 EGABMO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4c(C)noc4C)C3)CC2=O)s1 ZINC000096050867 454273053 /nfs/dbraw/zinc/27/30/53/454273053.db2.gz KTGCCOVSLHNXKI-SFHVURJKSA-N 1 1 345.468 3.290 40 0 EGABMO Fc1cccc(O[C@@H]2C[C@@H]3CN(Cc4ccsc4)CC[N@H+]3C2)c1 ZINC000096055140 454273777 /nfs/dbraw/zinc/27/37/77/454273777.db2.gz AYIWWODBHTWUJB-SJLPKXTDSA-N 1 1 332.444 3.225 40 0 EGABMO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@H+](Cc4ccoc4)[C@H]3C2)n1 ZINC000096055535 454274125 /nfs/dbraw/zinc/27/41/25/454274125.db2.gz CZWQYHYUTLZTIG-YSIASYRMSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@@H+](Cc4ccoc4)[C@H]3C2)n1 ZINC000096055535 454274128 /nfs/dbraw/zinc/27/41/28/454274128.db2.gz CZWQYHYUTLZTIG-YSIASYRMSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1ccc(C[N@@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)o1 ZINC000096057142 454274724 /nfs/dbraw/zinc/27/47/24/454274724.db2.gz PFGPWXVFYQXBSC-DBVUQKKJSA-N 1 1 344.455 3.292 40 0 EGABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 ZINC000072227207 454275195 /nfs/dbraw/zinc/27/51/95/454275195.db2.gz VHXSPYHBLSWLKL-KBPBESRZSA-N 1 1 335.176 3.003 40 0 EGABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072227188 454275757 /nfs/dbraw/zinc/27/57/57/454275757.db2.gz ROVLGZOCKWPRGR-HUUCEWRRSA-N 1 1 337.206 3.417 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CCC2(C1)CCN(Cc1nccs1)CC2 ZINC000096062883 454279025 /nfs/dbraw/zinc/27/90/25/454279025.db2.gz DJGFFDHTIBPSDF-UHFFFAOYSA-N 1 1 346.500 3.236 40 0 EGABMO Fc1cccnc1O[C@@H]1CO[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096107677 454286187 /nfs/dbraw/zinc/28/61/87/454286187.db2.gz AWBHUGMPHIJDDR-YOEHRIQHSA-N 1 1 334.416 3.095 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](Cc3ccccn3)CC[C@@H]2OC)cc1 ZINC000096110549 454287460 /nfs/dbraw/zinc/28/74/60/454287460.db2.gz PURDKRVCQXBQII-PXNSSMCTSA-N 1 1 326.440 3.170 40 0 EGABMO CC[N@H+]1CCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCOC ZINC000072370376 454294705 /nfs/dbraw/zinc/29/47/05/454294705.db2.gz FQPKOQBOFJQBQZ-AWEZNQCLSA-N 1 1 346.496 3.304 40 0 EGABMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(F)cc2Br)C1 ZINC000046878546 454296777 /nfs/dbraw/zinc/29/67/77/454296777.db2.gz OATBFQVOUFNOMA-LLVKDONJSA-N 1 1 343.240 3.050 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@@]23CCN(Cc2nccs2)C3)n1 ZINC000096203072 454302115 /nfs/dbraw/zinc/30/21/15/454302115.db2.gz OEMLXNUMAUYEAD-SFHVURJKSA-N 1 1 328.485 3.087 40 0 EGABMO Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNc2ccccn2)O3)no1 ZINC000096218173 454306964 /nfs/dbraw/zinc/30/69/64/454306964.db2.gz KQPHXZPUCPCRGP-PKOBYXMFSA-N 1 1 342.443 3.004 40 0 EGABMO Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CNc2ccccn2)O3)no1 ZINC000096218173 454306965 /nfs/dbraw/zinc/30/69/65/454306965.db2.gz KQPHXZPUCPCRGP-PKOBYXMFSA-N 1 1 342.443 3.004 40 0 EGABMO Cc1ccc(N2CCC[C@@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2)nn1 ZINC000096216992 454307420 /nfs/dbraw/zinc/30/74/20/454307420.db2.gz DBUNFDGAQHGFJG-FQEVSTJZSA-N 1 1 340.446 3.417 40 0 EGABMO Cc1nc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccco2)C3)cs1 ZINC000096216650 454307851 /nfs/dbraw/zinc/30/78/51/454307851.db2.gz VBAWUBWIJUOTSS-SFHVURJKSA-N 1 1 345.468 3.173 40 0 EGABMO Cc1nc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccco2)C3)cs1 ZINC000096216650 454307854 /nfs/dbraw/zinc/30/78/54/454307854.db2.gz VBAWUBWIJUOTSS-SFHVURJKSA-N 1 1 345.468 3.173 40 0 EGABMO c1csc(C[N@H+]2CC[C@H]3OCCN(c4cccnc4)[C@H]3CC2)c1 ZINC000096249430 454312013 /nfs/dbraw/zinc/31/20/13/454312013.db2.gz XUCSKECROGLCQN-ZWKOTPCHSA-N 1 1 329.469 3.013 40 0 EGABMO O=C(N[C@@H](c1ccccc1)C1CCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096404097 454323362 /nfs/dbraw/zinc/32/33/62/454323362.db2.gz LRJSMPHHHRJMHW-QRVBRYPASA-N 1 1 327.472 3.454 40 0 EGABMO CCc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000096432956 454343687 /nfs/dbraw/zinc/34/36/87/454343687.db2.gz AZVYVHZIFMTEEM-QGZVFWFLSA-N 1 1 326.440 3.436 40 0 EGABMO O=C(NCc1csc(C2CC2)n1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000096440144 454349639 /nfs/dbraw/zinc/34/96/39/454349639.db2.gz RCISWOUTAJRNKO-HNNXBMFYSA-N 1 1 348.516 3.084 40 0 EGABMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@H](O)COC(C)(C)C)C3)nc2c1 ZINC000096490646 454368596 /nfs/dbraw/zinc/36/85/96/454368596.db2.gz XKOYWPCBIOFVOA-HOTGVXAUSA-N 1 1 345.487 3.227 40 0 EGABMO Cc1ccc2nc([C@H]3CCC[N@H+](C[C@H](O)COC(C)(C)C)C3)[nH]c2c1 ZINC000096490646 454368598 /nfs/dbraw/zinc/36/85/98/454368598.db2.gz XKOYWPCBIOFVOA-HOTGVXAUSA-N 1 1 345.487 3.227 40 0 EGABMO Cc1ccc2nc([C@H]3CCC[N@@H+](C[C@H](O)COC(C)(C)C)C3)[nH]c2c1 ZINC000096490646 454368603 /nfs/dbraw/zinc/36/86/03/454368603.db2.gz XKOYWPCBIOFVOA-HOTGVXAUSA-N 1 1 345.487 3.227 40 0 EGABMO Cc1cccc(C[N@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)n1 ZINC000108534703 454802571 /nfs/dbraw/zinc/80/25/71/454802571.db2.gz FVIFZRNMZLMNAK-UYAOXDASSA-N 1 1 327.472 3.005 40 0 EGABMO C[NH+](C)[C@H](C(=O)NCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000144240793 454847601 /nfs/dbraw/zinc/84/76/01/454847601.db2.gz DLNYWTGVADSRPM-KRWDZBQOSA-N 1 1 332.831 3.138 40 0 EGABMO Cn1cc(-c2cc(C[N@@H+]3CCSC[C@H]3c3ccccc3)on2)cn1 ZINC000185005663 455485194 /nfs/dbraw/zinc/48/51/94/455485194.db2.gz HWWHKVQZSKCYGH-SFHVURJKSA-N 1 1 340.452 3.365 40 0 EGABMO Cn1cc(-c2cc(C[N@H+]3CCSC[C@H]3c3ccccc3)on2)cn1 ZINC000185005663 455485200 /nfs/dbraw/zinc/48/52/00/455485200.db2.gz HWWHKVQZSKCYGH-SFHVURJKSA-N 1 1 340.452 3.365 40 0 EGABMO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000118916138 455116405 /nfs/dbraw/zinc/11/64/05/455116405.db2.gz DHLGTTUFAHBXDS-FAWMDMTCSA-N 1 1 345.527 3.357 40 0 EGABMO O[C@]1(c2cccnc2)CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@H]21 ZINC000248071522 455677761 /nfs/dbraw/zinc/67/77/61/455677761.db2.gz YHQYVBJFVDONSK-QMIHWGKISA-N 1 1 344.405 3.480 40 0 EGABMO COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc2c1CC[N@@H+](C)C2 ZINC000252494423 455813463 /nfs/dbraw/zinc/81/34/63/455813463.db2.gz NUYIOMALZSOSKS-ZWKOTPCHSA-N 1 1 336.435 3.425 40 0 EGABMO C[C@H](C[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000252536724 455820977 /nfs/dbraw/zinc/82/09/77/455820977.db2.gz JHEJKAQFHFQIMK-WBMJQRKESA-N 1 1 327.877 3.095 40 0 EGABMO C[C@H](C[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000252536724 455820978 /nfs/dbraw/zinc/82/09/78/455820978.db2.gz JHEJKAQFHFQIMK-WBMJQRKESA-N 1 1 327.877 3.095 40 0 EGABMO O[C@@H]1C[C@@H](c2ccccc2C(F)(F)F)[N@@H+](CC2=CCCOC2)C1 ZINC000253417064 455841794 /nfs/dbraw/zinc/84/17/94/455841794.db2.gz CMNZBURXCCECBS-CJNGLKHVSA-N 1 1 327.346 3.160 40 0 EGABMO Cc1c[nH]c(-c2cc(C[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)ncn2)n1 ZINC000257297486 455885346 /nfs/dbraw/zinc/88/53/46/455885346.db2.gz RHLCEXUOMSKBBS-INIZCTEOSA-N 1 1 348.454 3.025 40 0 EGABMO Cc1cccc(C)c1OCC(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@@H+]2C ZINC000257341689 455895514 /nfs/dbraw/zinc/89/55/14/455895514.db2.gz ZLKVLRONZKTTBT-PXNSSMCTSA-N 1 1 330.472 3.158 40 0 EGABMO Cc1nc[nH]c1C[N@H+]1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257341914 455895812 /nfs/dbraw/zinc/89/58/12/455895812.db2.gz ZMKMELQOESZFHH-PMACEKPBSA-N 1 1 341.455 3.058 40 0 EGABMO CN(C)C(=O)C[N@@H+]1CCCC[C@H]1c1ccc(Cc2ccccc2)nc1 ZINC000257343942 455896229 /nfs/dbraw/zinc/89/62/29/455896229.db2.gz ZVBOCGCOHUTFPK-FQEVSTJZSA-N 1 1 337.467 3.288 40 0 EGABMO CN(C)C(=O)C[N@H+]1CCCC[C@H]1c1ccc(Cc2ccccc2)nc1 ZINC000257343942 455896233 /nfs/dbraw/zinc/89/62/33/455896233.db2.gz ZVBOCGCOHUTFPK-FQEVSTJZSA-N 1 1 337.467 3.288 40 0 EGABMO CCOc1ccc(/C=C/C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000195529033 455980249 /nfs/dbraw/zinc/98/02/49/455980249.db2.gz FRFZDVQIRQFWMO-FPRCLYBRSA-N 1 1 330.472 3.335 40 0 EGABMO Cc1ccc(OCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000225169786 456074227 /nfs/dbraw/zinc/07/42/27/456074227.db2.gz QFMNVURJAWBSSD-LJQANCHMSA-N 1 1 326.440 3.101 40 0 EGABMO Cc1nc(C(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)co1 ZINC000225890844 456108075 /nfs/dbraw/zinc/10/80/75/456108075.db2.gz TVJAODCGHYMFHV-UHFFFAOYSA-N 1 1 344.802 3.417 40 0 EGABMO Fc1cccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)c1 ZINC000585105463 459825273 /nfs/dbraw/zinc/82/52/73/459825273.db2.gz XANKDDWZSJUOGO-GOSISDBHSA-N 1 1 344.455 3.497 40 0 EGABMO CN(C)c1nc(N2CCCC2)nc2c1C[N@@H+](CC1CCCCC1)CC2 ZINC000096253988 282313444 /nfs/dbraw/zinc/31/34/44/282313444.db2.gz LUMLCVIJLUAJCX-UHFFFAOYSA-N 1 1 343.519 3.081 40 0 EGABMO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038850081 213228707 /nfs/dbraw/zinc/22/87/07/213228707.db2.gz QZQGFHOKNHJRIZ-GFCCVEGCSA-N 1 1 327.255 3.484 40 0 EGABMO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038850081 213228711 /nfs/dbraw/zinc/22/87/11/213228711.db2.gz QZQGFHOKNHJRIZ-GFCCVEGCSA-N 1 1 327.255 3.484 40 0 EGABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccccn1 ZINC000036740320 213115127 /nfs/dbraw/zinc/11/51/27/213115127.db2.gz JPFPRFKHPBGMHB-UHFFFAOYSA-N 1 1 336.439 3.379 40 0 EGABMO Cc1cc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)oc1C ZINC000072339825 216157326 /nfs/dbraw/zinc/15/73/26/216157326.db2.gz HMEPGVARECTGAG-UHFFFAOYSA-N 1 1 336.395 3.012 40 0 EGABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(c3nc(C)cc(C)n3)C2)n1 ZINC000072369173 216175820 /nfs/dbraw/zinc/17/58/20/216175820.db2.gz JGFLFCDVZYNXAP-QGZVFWFLSA-N 1 1 348.454 3.367 40 0 EGABMO c1ccc(Nc2nccc([C@H]3CCC[N@H+]3Cc3ccncc3)n2)nc1 ZINC000072377617 216179150 /nfs/dbraw/zinc/17/91/50/216179150.db2.gz USFIJUBQJCCXFN-QGZVFWFLSA-N 1 1 332.411 3.347 40 0 EGABMO c1ccc(Nc2nccc([C@H]3CCC[N@@H+]3Cc3ccncc3)n2)nc1 ZINC000072377617 216179151 /nfs/dbraw/zinc/17/91/51/216179151.db2.gz USFIJUBQJCCXFN-QGZVFWFLSA-N 1 1 332.411 3.347 40 0 EGABMO c1ccc(C[N@H+]2CCC[C@@H](c3nccnc3Oc3cccnc3)C2)nc1 ZINC000072383641 216183770 /nfs/dbraw/zinc/18/37/70/216183770.db2.gz SQXFKTJPHNGIJS-MRXNPFEDSA-N 1 1 347.422 3.439 40 0 EGABMO CCn1ccc2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc21 ZINC000072541546 216270227 /nfs/dbraw/zinc/27/02/27/216270227.db2.gz LXMWRWVSILGSKO-SJORKVTESA-N 1 1 326.444 3.362 40 0 EGABMO O=c1[nH]c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)nc2ccccc21 ZINC000072867340 216323241 /nfs/dbraw/zinc/32/32/41/216323241.db2.gz HSCKKUPTCVRQFB-QFBILLFUSA-N 1 1 349.434 3.011 40 0 EGABMO O=c1[nH]c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)nc2ccccc21 ZINC000072867340 216323243 /nfs/dbraw/zinc/32/32/43/216323243.db2.gz HSCKKUPTCVRQFB-QFBILLFUSA-N 1 1 349.434 3.011 40 0 EGABMO Cc1nc2sccn2c1C[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000257212547 244158271 /nfs/dbraw/zinc/15/82/71/244158271.db2.gz CDXVHKPROVHFSE-AWEZNQCLSA-N 1 1 327.457 3.182 40 0 EGABMO CC(C)n1nccc1C[N@H+]1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000257221778 244188463 /nfs/dbraw/zinc/18/84/63/244188463.db2.gz DQLMTTKQWZCDHF-QGZVFWFLSA-N 1 1 327.476 3.305 40 0 EGABMO CNc1cc(C)[nH+]c([C@H]2CN(Cc3ccc(Cl)cn3)CCO2)c1 ZINC000257220029 244179864 /nfs/dbraw/zinc/17/98/64/244179864.db2.gz DJFPFAUBQVHHRB-QGZVFWFLSA-N 1 1 332.835 3.054 40 0 EGABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)COc1cccc(F)c1)C2 ZINC000257253070 244272091 /nfs/dbraw/zinc/27/20/91/244272091.db2.gz JXLRGLJBQWTREO-BOLBYERCSA-N 1 1 346.446 3.068 40 0 EGABMO CN(C)c1nc([C@H]2CCC[N@H+](Cc3cscn3)C2)cn2cccc12 ZINC000257260793 244346372 /nfs/dbraw/zinc/34/63/72/244346372.db2.gz LEKKRYBLYXUHKM-AWEZNQCLSA-N 1 1 341.484 3.236 40 0 EGABMO CN(C)c1nc([C@H]2CCC[N@@H+](Cc3cscn3)C2)cn2cccc12 ZINC000257260793 244346375 /nfs/dbraw/zinc/34/63/75/244346375.db2.gz LEKKRYBLYXUHKM-AWEZNQCLSA-N 1 1 341.484 3.236 40 0 EGABMO Fc1ccc(CNc2[nH]nc3nc([C@H]4CCC[NH2+]C4)ccc32)cc1 ZINC000257276741 244394183 /nfs/dbraw/zinc/39/41/83/244394183.db2.gz NUXVRSLPJPQWPF-ZDUSSCGKSA-N 1 1 325.391 3.176 40 0 EGABMO Clc1cccc(C[NH+]2CC(c3nc(-c4cccnc4)no3)C2)c1 ZINC000049483720 214013190 /nfs/dbraw/zinc/01/31/90/214013190.db2.gz ANIZTBWIBIJSLK-UHFFFAOYSA-N 1 1 326.787 3.384 40 0 EGABMO O=C(c1cccc(F)c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000264237014 246225355 /nfs/dbraw/zinc/22/53/55/246225355.db2.gz YTISJOGWBJNHGD-UHFFFAOYSA-N 1 1 338.426 3.489 40 0 EGABMO CNc1ncccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000012326624 211349653 /nfs/dbraw/zinc/34/96/53/211349653.db2.gz SPLNDOLVPMWLCX-NYTJIUQPSA-N 1 1 341.430 3.277 40 0 EGABMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1Br ZINC000011024153 211200992 /nfs/dbraw/zinc/20/09/92/211200992.db2.gz NVTVIELDMOSXEN-CHWSQXEVSA-N 1 1 328.250 3.063 40 0 EGABMO COc1ccc2cc(C[N@@H+](C)C[C@@H]3CCN(C(C)=O)C3)ccc2c1 ZINC000092100471 218120117 /nfs/dbraw/zinc/12/01/17/218120117.db2.gz SDTUZYJNCJLRHJ-KRWDZBQOSA-N 1 1 326.440 3.149 40 0 EGABMO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(N2CCCC2=O)cc1 ZINC000095423559 218365991 /nfs/dbraw/zinc/36/59/91/218365991.db2.gz BVXZFQDYLNRGDZ-CYBMUJFWSA-N 1 1 344.484 3.187 40 0 EGABMO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CC2(CC[NH+](CCF)CC2)Oc2ccccc21 ZINC000306140773 257924643 /nfs/dbraw/zinc/92/46/43/257924643.db2.gz VDNRKVMLQCIPPQ-PVAVHDDUSA-N 1 1 346.446 3.087 40 0 EGABMO O[C@@H](C[N@H+]1CCC[C@](O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000072343227 275051539 /nfs/dbraw/zinc/05/15/39/275051539.db2.gz FEYIPQUQFKKAGF-VQTJNVASSA-N 1 1 347.405 3.372 40 0 EGABMO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000090723578 323214625 /nfs/dbraw/zinc/21/46/25/323214625.db2.gz DRGLEBUWCZBKTR-LLGFUMIMSA-N 1 1 346.515 3.201 40 0 EGABMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000090723578 323214628 /nfs/dbraw/zinc/21/46/28/323214628.db2.gz DRGLEBUWCZBKTR-LLGFUMIMSA-N 1 1 346.515 3.201 40 0 EGABMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000090723578 323214630 /nfs/dbraw/zinc/21/46/30/323214630.db2.gz DRGLEBUWCZBKTR-LLGFUMIMSA-N 1 1 346.515 3.201 40 0 EGABMO Cc1cnc2[nH]c(C(F)(F)F)c(C[N@H+]3CCC[C@H](CO)C3)c2c1 ZINC000012223074 453349904 /nfs/dbraw/zinc/34/99/04/453349904.db2.gz NUAPISDAFLGIFR-NSHDSACASA-N 1 1 327.350 3.094 40 0 EGABMO COc1cccc2ccc(C[N@@H+](CCO)Cc3cccs3)nc21 ZINC000013997498 453496396 /nfs/dbraw/zinc/49/63/96/453496396.db2.gz CMZJRHKIHDGMAC-UHFFFAOYSA-N 1 1 328.437 3.299 40 0 EGABMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)CCOc1ccccc1 ZINC000014124346 453509064 /nfs/dbraw/zinc/50/90/64/453509064.db2.gz QDEROKRWSNPUNV-ZDUSSCGKSA-N 1 1 333.819 3.073 40 0 EGABMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)CCOc1ccccc1 ZINC000014124346 453509069 /nfs/dbraw/zinc/50/90/69/453509069.db2.gz QDEROKRWSNPUNV-ZDUSSCGKSA-N 1 1 333.819 3.073 40 0 EGABMO Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+](C)C)o1 ZINC000015860137 453587824 /nfs/dbraw/zinc/58/78/24/453587824.db2.gz NHCNGCWCERCKLE-QGZVFWFLSA-N 1 1 330.428 3.003 40 0 EGABMO Cc1csc2nc(C[N@H+]3CC=C(c4ccccc4)CC3)cc(=O)n12 ZINC000016551157 453610427 /nfs/dbraw/zinc/61/04/27/453610427.db2.gz WTZFRRDVVMLMSY-UHFFFAOYSA-N 1 1 337.448 3.354 40 0 EGABMO Cc1csc2nc(C[N@@H+]3CC=C(c4ccccc4)CC3)cc(=O)n12 ZINC000016551157 453610429 /nfs/dbraw/zinc/61/04/29/453610429.db2.gz WTZFRRDVVMLMSY-UHFFFAOYSA-N 1 1 337.448 3.354 40 0 EGABMO COc1cccc(C[N@H+]2CC[C@H](c3nc(C(C)(C)C)no3)C2)c1OC ZINC000019084641 453653516 /nfs/dbraw/zinc/65/35/16/453653516.db2.gz KULWHAUJSUQAKA-AWEZNQCLSA-N 1 1 345.443 3.374 40 0 EGABMO Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2cccc(C)n2)o1 ZINC000019236101 453655213 /nfs/dbraw/zinc/65/52/13/453655213.db2.gz AFCVYTRWUHVLQV-UHFFFAOYSA-N 1 1 343.471 3.016 40 0 EGABMO Cc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2cccc(C)n2)o1 ZINC000019236101 453655217 /nfs/dbraw/zinc/65/52/17/453655217.db2.gz AFCVYTRWUHVLQV-UHFFFAOYSA-N 1 1 343.471 3.016 40 0 EGABMO Cc1ccc(CN(CCC[NH+]2CCOCC2)Cc2cccc(C)n2)o1 ZINC000019236101 453655220 /nfs/dbraw/zinc/65/52/20/453655220.db2.gz AFCVYTRWUHVLQV-UHFFFAOYSA-N 1 1 343.471 3.016 40 0 EGABMO CCOC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000081746409 453907423 /nfs/dbraw/zinc/90/74/23/453907423.db2.gz DKTZYONPLPETIL-PKOBYXMFSA-N 1 1 348.462 3.065 40 0 EGABMO CCOC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000081746409 453907424 /nfs/dbraw/zinc/90/74/24/453907424.db2.gz DKTZYONPLPETIL-PKOBYXMFSA-N 1 1 348.462 3.065 40 0 EGABMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC000075680374 453918084 /nfs/dbraw/zinc/91/80/84/453918084.db2.gz AKTJVUMWCNIFFO-LBPRGKRZSA-N 1 1 325.840 3.082 40 0 EGABMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000075680374 453918086 /nfs/dbraw/zinc/91/80/86/453918086.db2.gz AKTJVUMWCNIFFO-LBPRGKRZSA-N 1 1 325.840 3.082 40 0 EGABMO C[C@@H](Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000076317069 453988853 /nfs/dbraw/zinc/98/88/53/453988853.db2.gz PKLIBIDQPBGCJJ-QGZVFWFLSA-N 1 1 337.467 3.176 40 0 EGABMO COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000245921152 455399684 /nfs/dbraw/zinc/39/96/84/455399684.db2.gz GZCPEZKKRYGDDM-SQWLQELKSA-N 1 1 349.450 3.021 40 0 EGABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(Cl)cc3)[nH]2)cc1OC ZINC000095533813 454230875 /nfs/dbraw/zinc/23/08/75/454230875.db2.gz QCFLFNMRMQZOQD-OAHLLOKOSA-N 1 1 344.802 3.190 40 0 EGABMO CN(Cc1cccnc1)[C@@H]1C[N@@H+](Cc2ccsc2)[C@@H]2CCCO[C@H]12 ZINC000096038665 454265576 /nfs/dbraw/zinc/26/55/76/454265576.db2.gz CWONMQMJSGMCBN-QRVBRYPASA-N 1 1 343.496 3.007 40 0 EGABMO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](c4ccnc(C)n4)O[C@@H]3C2)oc1C ZINC000096046167 454268003 /nfs/dbraw/zinc/26/80/03/454268003.db2.gz TVQDUODILVUSTM-KFKAGJAMSA-N 1 1 327.428 3.347 40 0 EGABMO c1csc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3O2)n1 ZINC000096046260 454268168 /nfs/dbraw/zinc/26/81/68/454268168.db2.gz OGJOCZXSJAGHPB-RRQGHBQHSA-N 1 1 344.436 3.224 40 0 EGABMO c1csc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3O2)n1 ZINC000096046260 454268171 /nfs/dbraw/zinc/26/81/71/454268171.db2.gz OGJOCZXSJAGHPB-RRQGHBQHSA-N 1 1 344.436 3.224 40 0 EGABMO Fc1cccnc1N[C@@H]1CO[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096047635 454269567 /nfs/dbraw/zinc/26/95/67/454269567.db2.gz OSNRCXSBVAZSAT-WMLDXEAASA-N 1 1 333.432 3.128 40 0 EGABMO O=C(c1cccs1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096046964 454270576 /nfs/dbraw/zinc/27/05/76/454270576.db2.gz YSHHDNCVYCXYSV-LJQANCHMSA-N 1 1 341.480 3.271 40 0 EGABMO Cc1nc(CN2C[C@@]3(CC[N@@H+](Cc4ccsc4)C3)CC2=O)cs1 ZINC000096050900 454272581 /nfs/dbraw/zinc/27/25/81/454272581.db2.gz XGQZDSITFLDCJM-KRWDZBQOSA-N 1 1 347.509 3.138 40 0 EGABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000072227318 454275077 /nfs/dbraw/zinc/27/50/77/454275077.db2.gz UFTCAVAACXWUNJ-JKSUJKDBSA-N 1 1 345.240 3.427 40 0 EGABMO Fc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)cc1 ZINC000096055440 454275364 /nfs/dbraw/zinc/27/53/64/454275364.db2.gz URGYCQMESLOYOG-BHIYHBOVSA-N 1 1 342.414 3.279 40 0 EGABMO Fc1ccc(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)cc1 ZINC000096055440 454275372 /nfs/dbraw/zinc/27/53/72/454275372.db2.gz URGYCQMESLOYOG-BHIYHBOVSA-N 1 1 342.414 3.279 40 0 EGABMO c1csc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@@H]3OCCC[C@@H]32)c1 ZINC000096058146 454276908 /nfs/dbraw/zinc/27/69/08/454276908.db2.gz YYVVEEDLOBYTEM-RCCFBDPRSA-N 1 1 330.453 3.092 40 0 EGABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)c1ccsc1)[C@@H]2C ZINC000096061988 454277753 /nfs/dbraw/zinc/27/77/53/454277753.db2.gz OZWLNWAPOUWILK-CYBMUJFWSA-N 1 1 332.473 3.002 40 0 EGABMO Cc1cc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)oc1C ZINC000096065881 454277966 /nfs/dbraw/zinc/27/79/66/454277966.db2.gz FKMSSKDJHZBIRV-SLFFLAALSA-N 1 1 342.439 3.240 40 0 EGABMO Cc1cc(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)oc1C ZINC000096065881 454277969 /nfs/dbraw/zinc/27/79/69/454277969.db2.gz FKMSSKDJHZBIRV-SLFFLAALSA-N 1 1 342.439 3.240 40 0 EGABMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(Br)c1 ZINC000046858930 454293138 /nfs/dbraw/zinc/29/31/38/454293138.db2.gz OUPARDCYGUDRBB-GFCCVEGCSA-N 1 1 325.250 3.053 40 0 EGABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072379229 454294978 /nfs/dbraw/zinc/29/49/78/454294978.db2.gz PTLKIGJTKOBXBL-KRWDZBQOSA-N 1 1 326.444 3.146 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)co1 ZINC000096186791 454299566 /nfs/dbraw/zinc/29/95/66/454299566.db2.gz XBMFUVGVUYIUCW-QYZOEREBSA-N 1 1 328.412 3.013 40 0 EGABMO Fc1ccc(C[N@H+]2C[C@H](OCC3CCOCC3)[C@H]3OCCC[C@H]32)cc1 ZINC000096187080 454300402 /nfs/dbraw/zinc/30/04/02/454300402.db2.gz CHOHODGIGACFKL-AABGKKOBSA-N 1 1 349.446 3.001 40 0 EGABMO COC[C@H]1C[N@H+](Cc2ccncc2)Cc2cn(CC3CCCC3)nc21 ZINC000096198182 454302567 /nfs/dbraw/zinc/30/25/67/454302567.db2.gz VKEPSTNVYNKEBE-LJQANCHMSA-N 1 1 340.471 3.214 40 0 EGABMO COC[C@H]1C[N@@H+](Cc2ccncc2)Cc2cn(CC3CCCC3)nc21 ZINC000096198182 454302571 /nfs/dbraw/zinc/30/25/71/454302571.db2.gz VKEPSTNVYNKEBE-LJQANCHMSA-N 1 1 340.471 3.214 40 0 EGABMO Cc1ncsc1C[N@H+]1CC[C@]2(C1)C[C@@H](Nc1ccccn1)CCO2 ZINC000096207479 454304314 /nfs/dbraw/zinc/30/43/14/454304314.db2.gz QFUJNZILBSMKKM-MAUKXSAKSA-N 1 1 344.484 3.082 40 0 EGABMO Cc1ncsc1CN1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCCC1)O2 ZINC000096209528 454305726 /nfs/dbraw/zinc/30/57/26/454305726.db2.gz GGMSCOSQFXAOGL-FUHWJXTLSA-N 1 1 335.517 3.061 40 0 EGABMO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096224315 454308607 /nfs/dbraw/zinc/30/86/07/454308607.db2.gz ASEREPJIONKQMT-IBGZPJMESA-N 1 1 341.480 3.158 40 0 EGABMO Cc1nc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)cs1 ZINC000096221694 454309039 /nfs/dbraw/zinc/30/90/39/454309039.db2.gz HULOLCNRYDWNGM-KRWDZBQOSA-N 1 1 345.468 3.049 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC000096226334 454309397 /nfs/dbraw/zinc/30/93/97/454309397.db2.gz RGEGLUMQYUBDQR-SFHVURJKSA-N 1 1 329.469 3.015 40 0 EGABMO c1csc(C[N@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC000096226334 454309404 /nfs/dbraw/zinc/30/94/04/454309404.db2.gz RGEGLUMQYUBDQR-SFHVURJKSA-N 1 1 329.469 3.015 40 0 EGABMO Cc1cc(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)on1 ZINC000096423832 454337286 /nfs/dbraw/zinc/33/72/86/454337286.db2.gz QSXSLNWLPOEMSO-UHFFFAOYSA-N 1 1 339.395 3.138 40 0 EGABMO Cc1cc(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)on1 ZINC000096423832 454337289 /nfs/dbraw/zinc/33/72/89/454337289.db2.gz QSXSLNWLPOEMSO-UHFFFAOYSA-N 1 1 339.395 3.138 40 0 EGABMO Cc1csc(C(C)(C)[NH2+]CC(=O)N(C)Cc2ccccc2C)n1 ZINC000096443396 454351969 /nfs/dbraw/zinc/35/19/69/454351969.db2.gz QXAOUFTXZFZXIM-UHFFFAOYSA-N 1 1 331.485 3.243 40 0 EGABMO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H](C)c1ncc(C(C)(C)C)o1)CC2 ZINC000096447053 454354230 /nfs/dbraw/zinc/35/42/30/454354230.db2.gz LSVFZPRTOAOCCZ-RRFJBIMHSA-N 1 1 336.476 3.285 40 0 EGABMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCSC2(CCCCC2)C1 ZINC000096456634 454358569 /nfs/dbraw/zinc/35/85/69/454358569.db2.gz NUFHMODMPVMVIE-JKSUJKDBSA-N 1 1 337.533 3.075 40 0 EGABMO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCc2ccncc2)C1 ZINC000096483687 454366192 /nfs/dbraw/zinc/36/61/92/454366192.db2.gz AESKDEZQMFYFSU-DLBZAZTESA-N 1 1 336.357 3.451 40 0 EGABMO C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCSC1 ZINC000096486743 454367062 /nfs/dbraw/zinc/36/70/62/454367062.db2.gz QTJAYFVBAJEUDB-CJNGLKHVSA-N 1 1 340.439 3.066 40 0 EGABMO C[C@@H](NC(=O)N(c1ccccc1)c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000096501220 454371865 /nfs/dbraw/zinc/37/18/65/454371865.db2.gz VDRREARQFKBANC-VQIMIIECSA-N 1 1 339.439 3.253 40 0 EGABMO C[C@@H](NC(=O)N(c1ccccc1)c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000096501220 454371867 /nfs/dbraw/zinc/37/18/67/454371867.db2.gz VDRREARQFKBANC-VQIMIIECSA-N 1 1 339.439 3.253 40 0 EGABMO C[C@@H]1C[C@@H](CNC(=O)c2ccc(O)cc2F)C[N@H+]1Cc1ccccc1 ZINC000097100846 454406462 /nfs/dbraw/zinc/40/64/62/454406462.db2.gz ADKJFEHFRDJDMB-ZBFHGGJFSA-N 1 1 342.414 3.172 40 0 EGABMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1 ZINC000063527591 454421977 /nfs/dbraw/zinc/42/19/77/454421977.db2.gz QYCOQVRCOHYQEE-HNNXBMFYSA-N 1 1 330.325 3.012 40 0 EGABMO CC(=O)c1ccccc1C(=O)N1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000073767547 454480232 /nfs/dbraw/zinc/48/02/32/454480232.db2.gz PWPZCNVMCJRNGW-UHFFFAOYSA-N 1 1 337.423 3.309 40 0 EGABMO O[C@H](C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)c1ccccc1 ZINC000182802938 455167185 /nfs/dbraw/zinc/16/71/85/455167185.db2.gz XGSSOBXZAQRMTC-LSDHHAIUSA-N 1 1 339.361 3.272 40 0 EGABMO CCN(C)c1ccccc1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000245344119 455282521 /nfs/dbraw/zinc/28/25/21/455282521.db2.gz XQGYULIXHHVNID-BQFCYCMXSA-N 1 1 342.487 3.091 40 0 EGABMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000175336945 455439277 /nfs/dbraw/zinc/43/92/77/455439277.db2.gz DRVSYJOUTSNECA-WBMJQRKESA-N 1 1 340.389 3.442 40 0 EGABMO Cc1cccc(CO[C@@H]2CSC3(C[NH+](Cc4cccnc4)C3)C2)n1 ZINC000247869882 455651069 /nfs/dbraw/zinc/65/10/69/455651069.db2.gz KQXZBFOGIOFOJS-SFHVURJKSA-N 1 1 341.480 3.062 40 0 EGABMO c1cc2c(cccc2C[NH+]2CC3(C2)C[C@H](Oc2ccccn2)CCO3)[nH]1 ZINC000248087914 455680369 /nfs/dbraw/zinc/68/03/69/455680369.db2.gz LKXHMIZHBKFXLP-QGZVFWFLSA-N 1 1 349.434 3.375 40 0 EGABMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cn[nH]c(=O)c1Cl ZINC000253398325 455839757 /nfs/dbraw/zinc/83/97/57/455839757.db2.gz SHEMBXHJMPEUGX-OAHLLOKOSA-N 1 1 346.862 3.136 40 0 EGABMO Cn1cncc1-c1nccnc1[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000257299964 455886285 /nfs/dbraw/zinc/88/62/85/455886285.db2.gz RSIOFDTZXOXSJW-OAHLLOKOSA-N 1 1 325.460 3.389 40 0 EGABMO Cc1cc(N)cc([C@H]2CN(Cc3ccc4ccccc4n3)CCO2)[nH+]1 ZINC000257325183 455891745 /nfs/dbraw/zinc/89/17/45/455891745.db2.gz WRVXNZZMHUQSLG-HXUWFJFHSA-N 1 1 334.423 3.094 40 0 EGABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](Cc2cccc(C)n2)C1 ZINC000257330411 455892971 /nfs/dbraw/zinc/89/29/71/455892971.db2.gz XOGXGVMHJSHDTE-KRWDZBQOSA-N 1 1 340.471 3.020 40 0 EGABMO Cc1cccc(N2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)[nH+]1 ZINC000257337901 455896026 /nfs/dbraw/zinc/89/60/26/455896026.db2.gz YUYGTDOOFHDWKH-CQSZACIVSA-N 1 1 329.831 3.442 40 0 EGABMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000195529736 455980062 /nfs/dbraw/zinc/98/00/62/455980062.db2.gz QIXKIQCDYRSKHS-NVXWUHKLSA-N 1 1 341.455 3.408 40 0 EGABMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000211262744 456022190 /nfs/dbraw/zinc/02/21/90/456022190.db2.gz BEODXIGPQVXJIN-OTURYTIQSA-N 1 1 329.465 3.248 40 0 EGABMO C[C@H](NC(=O)Nc1ccccc1OCC(F)F)C1=CC[N@@H+](C)CC1 ZINC000272664460 456031461 /nfs/dbraw/zinc/03/14/61/456031461.db2.gz IUUYYFGENGDCEC-LBPRGKRZSA-N 1 1 339.386 3.102 40 0 EGABMO COCCC1(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)CCCCC1 ZINC000225478464 456085527 /nfs/dbraw/zinc/08/55/27/456085527.db2.gz SYVKWEDGZQGWQE-OKZBNKHCSA-N 1 1 325.493 3.242 40 0 EGABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000225493516 456087019 /nfs/dbraw/zinc/08/70/19/456087019.db2.gz JZNCGHAOUKZPII-SFHVURJKSA-N 1 1 345.874 3.246 40 0 biogenic,in-vitro EGABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000225493516 456087023 /nfs/dbraw/zinc/08/70/23/456087023.db2.gz JZNCGHAOUKZPII-SFHVURJKSA-N 1 1 345.874 3.246 40 0 biogenic,in-vitro EGABMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CCOc3c(Cl)cccc31)C2 ZINC000289942744 456189589 /nfs/dbraw/zinc/18/95/89/456189589.db2.gz LPQOFFKIHWSLPE-LRDDRELGSA-N 1 1 345.830 3.047 40 0 EGABMO c1cc2n(c1)C[C@@H](CCNc1ccccn1)C[N@@H+](Cc1cccnc1)C2 ZINC000585095444 459822180 /nfs/dbraw/zinc/82/21/80/459822180.db2.gz QSPXZGYHBNHBRL-IBGZPJMESA-N 1 1 347.466 3.412 40 0 EGABMO c1cc2n(c1)C[C@@H](CCNc1ccccn1)C[N@H+](Cc1cccnc1)C2 ZINC000585095444 459822183 /nfs/dbraw/zinc/82/21/83/459822183.db2.gz QSPXZGYHBNHBRL-IBGZPJMESA-N 1 1 347.466 3.412 40 0 EGABMO O=C(C[C@H]1Cn2cccc2C[N@H+](C2CCCC2)C1)NCc1ccco1 ZINC000585099143 459823258 /nfs/dbraw/zinc/82/32/58/459823258.db2.gz POLLNTHJYWFTQE-INIZCTEOSA-N 1 1 341.455 3.162 40 0 EGABMO CC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 ZINC000585109808 459825255 /nfs/dbraw/zinc/82/52/55/459825255.db2.gz WMLQUPNRUUOMOA-DILOTOHQSA-N 1 1 335.451 3.380 40 0 EGABMO O=c1cc(-c2noc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)cc[nH]1 ZINC000585141763 459830112 /nfs/dbraw/zinc/83/01/12/459830112.db2.gz XRBKHBRKHAQMBX-INIZCTEOSA-N 1 1 336.395 3.217 40 0 EGABMO CC(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2C)[C@H]1Cc1ccccc1 ZINC000585274837 459832541 /nfs/dbraw/zinc/83/25/41/459832541.db2.gz PCTJDWHYKFTYNC-SFTDATJTSA-N 1 1 337.467 3.102 40 0 EGABMO CC(C)O[C@@H]1CCCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000624349374 460972018 /nfs/dbraw/zinc/97/20/18/460972018.db2.gz KIBORKFWKZDQLL-GOSISDBHSA-N 1 1 338.455 3.391 40 0 EGABMO COC(=O)c1cccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000058087674 214477354 /nfs/dbraw/zinc/47/73/54/214477354.db2.gz YUOWCUPKAUKEJY-HNNXBMFYSA-N 1 1 347.459 3.249 40 0 EGABMO c1csc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000097953754 219064867 /nfs/dbraw/zinc/06/48/67/219064867.db2.gz PAFKJMCBRJMNTF-OKZBNKHCSA-N 1 1 330.453 3.092 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000097953754 219064869 /nfs/dbraw/zinc/06/48/69/219064869.db2.gz PAFKJMCBRJMNTF-OKZBNKHCSA-N 1 1 330.453 3.092 40 0 EGABMO C[NH+](C)Cc1cc(C[C@@H]2C[C@H](NC(=O)CC(C)(C)C)C2(C)C)no1 ZINC000067889772 215242247 /nfs/dbraw/zinc/24/22/47/215242247.db2.gz SJFGZYGDMXOYIO-CJNGLKHVSA-N 1 1 335.492 3.246 40 0 biogenic,in-vitro EGABMO COc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C)C2)c(C(C)(C)C)c1 ZINC000103532127 219311934 /nfs/dbraw/zinc/31/19/34/219311934.db2.gz SGTHNUUVQVXDIQ-JKSUJKDBSA-N 1 1 335.488 3.464 40 0 EGABMO CNc1ncccc1C[N@H+]1CCC[C@@H]1c1cccc(-n2ccnc2C)n1 ZINC000072355635 216164179 /nfs/dbraw/zinc/16/41/79/216164179.db2.gz VCBBTXIYMKUZHF-GOSISDBHSA-N 1 1 348.454 3.350 40 0 EGABMO FC(F)(F)c1cccc(OCCc2cc([C@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000072372066 216177154 /nfs/dbraw/zinc/17/71/54/216177154.db2.gz QPOXUWAYFUSXCN-NSHDSACASA-N 1 1 325.334 3.127 40 0 EGABMO c1cn(-c2cncc([C@@H]3CCC[N@@H+]3CCCc3ccccc3)n2)cn1 ZINC000072378675 216182081 /nfs/dbraw/zinc/18/20/81/216182081.db2.gz GKWHWPSHQQWGHL-IBGZPJMESA-N 1 1 333.439 3.432 40 0 EGABMO COc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000021659741 212237910 /nfs/dbraw/zinc/23/79/10/212237910.db2.gz JLYZCKXGNNJCQJ-KRWDZBQOSA-N 1 1 328.412 3.245 40 0 EGABMO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257203556 244126573 /nfs/dbraw/zinc/12/65/73/244126573.db2.gz AQQLTRSMTBLWRK-CYBMUJFWSA-N 1 1 340.456 3.011 40 0 EGABMO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257203556 244126586 /nfs/dbraw/zinc/12/65/86/244126586.db2.gz AQQLTRSMTBLWRK-CYBMUJFWSA-N 1 1 340.456 3.011 40 0 EGABMO Cn1cncc1-c1cccc([C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257214333 244160044 /nfs/dbraw/zinc/16/00/44/244160044.db2.gz CLPYEBBAHFLUGU-CQSZACIVSA-N 1 1 339.468 3.318 40 0 EGABMO Cn1cncc1-c1cccc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257214333 244160049 /nfs/dbraw/zinc/16/00/49/244160049.db2.gz CLPYEBBAHFLUGU-CQSZACIVSA-N 1 1 339.468 3.318 40 0 EGABMO COCC(=O)N1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@H+]2C ZINC000257242339 244246892 /nfs/dbraw/zinc/24/68/92/244246892.db2.gz IBZMVZUJKXSYSA-BJLQDIEVSA-N 1 1 330.472 3.240 40 0 EGABMO CCCc1cc(C(=O)N(C)[C@H]2CCCN(c3cccc(C)[nH+]3)C2)no1 ZINC000257260021 244293146 /nfs/dbraw/zinc/29/31/46/244293146.db2.gz LBAOBCMZSSRMHK-HNNXBMFYSA-N 1 1 342.443 3.072 40 0 EGABMO c1ncc(C[N@H+]2CCC[C@H](c3ccnc(Nc4ccccn4)c3)C2)[nH]1 ZINC000257265439 244361083 /nfs/dbraw/zinc/36/10/83/244361083.db2.gz LYQWMSIWFKVYPQ-INIZCTEOSA-N 1 1 334.427 3.323 40 0 EGABMO c1nc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4ccccn4)c3)C2)c[nH]1 ZINC000257265439 244361087 /nfs/dbraw/zinc/36/10/87/244361087.db2.gz LYQWMSIWFKVYPQ-INIZCTEOSA-N 1 1 334.427 3.323 40 0 EGABMO c1nc(C[N@H+]2CCC[C@H](c3ccnc(Nc4ccccn4)c3)C2)c[nH]1 ZINC000257265439 244361094 /nfs/dbraw/zinc/36/10/94/244361094.db2.gz LYQWMSIWFKVYPQ-INIZCTEOSA-N 1 1 334.427 3.323 40 0 EGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@H]1CCCO1 ZINC000019589070 212048841 /nfs/dbraw/zinc/04/88/41/212048841.db2.gz CDAGOIRBQFZPQK-NMLBUPMWSA-N 1 1 342.483 3.034 40 0 EGABMO COc1cc(C[N@@H+](C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000019586390 212048342 /nfs/dbraw/zinc/04/83/42/212048342.db2.gz RJFILVSJAVXPAW-VQTJNVASSA-N 1 1 345.414 3.457 40 0 EGABMO C[C@@H]([NH2+]Cc1ccsc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000078553329 217074721 /nfs/dbraw/zinc/07/47/21/217074721.db2.gz CENACLUGCMNJGZ-CQSZACIVSA-N 1 1 333.476 3.490 40 0 EGABMO OC1CC[NH+](Cc2ccc(CNCc3cc(F)ccc3F)cc2)CC1 ZINC000078553927 217075660 /nfs/dbraw/zinc/07/56/60/217075660.db2.gz QAWFFGMSLLKKRU-UHFFFAOYSA-N 1 1 346.421 3.211 40 0 EGABMO CCOc1ccccc1C[NH+]1CCC(O)(c2cccnc2F)CC1 ZINC000012276009 211332883 /nfs/dbraw/zinc/33/28/83/211332883.db2.gz XXPDLKXHKIHOAK-UHFFFAOYSA-N 1 1 330.403 3.103 40 0 EGABMO Cc1nc2sccn2c1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012147691 211308452 /nfs/dbraw/zinc/30/84/52/211308452.db2.gz ONDGQTXFVRKTPH-UHFFFAOYSA-N 1 1 345.443 3.327 40 0 EGABMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000012147703 211308044 /nfs/dbraw/zinc/30/80/44/211308044.db2.gz GHVUBRAKWHMGKO-NRFANRHFSA-N 1 1 333.435 3.025 40 0 EGABMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(Oc2cnccn2)cc1 ZINC000091892943 218084528 /nfs/dbraw/zinc/08/45/28/218084528.db2.gz QYAZVMFVTWCHDZ-MSOLQXFVSA-N 1 1 338.455 3.328 40 0 EGABMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Oc2cnccn2)cc1 ZINC000091892943 218084532 /nfs/dbraw/zinc/08/45/32/218084532.db2.gz QYAZVMFVTWCHDZ-MSOLQXFVSA-N 1 1 338.455 3.328 40 0 EGABMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Oc2cnccn2)cc1 ZINC000091892943 218084535 /nfs/dbraw/zinc/08/45/35/218084535.db2.gz QYAZVMFVTWCHDZ-MSOLQXFVSA-N 1 1 338.455 3.328 40 0 EGABMO COc1ccc2cc(C[N@@H+](C)C[C@H]3CCN(C(C)=O)C3)ccc2c1 ZINC000092100470 218120207 /nfs/dbraw/zinc/12/02/07/218120207.db2.gz SDTUZYJNCJLRHJ-QGZVFWFLSA-N 1 1 326.440 3.149 40 0 EGABMO CC1CCC([N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C[C@@H]2CCCO2)CC1 ZINC000093666320 218239747 /nfs/dbraw/zinc/23/97/47/218239747.db2.gz JPNXGZINKGWZIM-VJFUWPCTSA-N 1 1 347.503 3.276 40 0 EGABMO O=c1cc(-c2ccccn2)nc([C@@H]2CCC[N@H+]2C[C@H]2CC=CCC2)[nH]1 ZINC000019402499 275043318 /nfs/dbraw/zinc/04/33/18/275043318.db2.gz NIUJZZGJGGKOQR-YJBOKZPZSA-N 1 1 336.439 3.325 40 0 EGABMO O[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)C1 ZINC000195560977 275053501 /nfs/dbraw/zinc/05/35/01/275053501.db2.gz KWEIHEXHQOGGOY-QUCCMNQESA-N 1 1 343.398 3.390 40 0 EGABMO O[C@@H]1CCC[N@@H+](Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)C1 ZINC000195560977 275053502 /nfs/dbraw/zinc/05/35/02/275053502.db2.gz KWEIHEXHQOGGOY-QUCCMNQESA-N 1 1 343.398 3.390 40 0 EGABMO Cc1cc(CCC(=O)Nc2ccon2)cc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072366888 301269382 /nfs/dbraw/zinc/26/93/82/301269382.db2.gz CMQBTSAAJJCQQU-KRWDZBQOSA-N 1 1 342.443 3.495 40 0 EGABMO Clc1cccnc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000528376577 313078066 /nfs/dbraw/zinc/07/80/66/313078066.db2.gz BOQKYXVHPHPPNI-UHFFFAOYSA-N 1 1 327.819 3.157 40 0 EGABMO Cc1nc(C[NH+]2CCC(CNc3ncc(C)c(C)n3)CC2)oc1C ZINC000239654270 455261648 /nfs/dbraw/zinc/26/16/48/455261648.db2.gz BNDDZMLZHYMICS-UHFFFAOYSA-N 1 1 329.448 3.022 40 0 EGABMO C[N@H+](Cc1ccccc1)C[C@@H](O)COCC1=CC[C@@H]2C[C@H]1C2(C)C ZINC000007063411 453027763 /nfs/dbraw/zinc/02/77/63/453027763.db2.gz JGQVYNOGQITPDG-VAMGGRTRSA-N 1 1 329.484 3.488 40 0 EGABMO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000012807908 453409027 /nfs/dbraw/zinc/40/90/27/453409027.db2.gz YRQGLKPADYIERU-GOSISDBHSA-N 1 1 338.382 3.259 40 0 EGABMO OCC[N@H+](Cc1cccnc1)Cc1ccccc1OC1CCCC1 ZINC000013569675 453472989 /nfs/dbraw/zinc/47/29/89/453472989.db2.gz BUOYAXLJERMDES-UHFFFAOYSA-N 1 1 326.440 3.398 40 0 EGABMO OCC[N@@H+](Cc1cccnc1)Cc1ccccc1OC1CCCC1 ZINC000013569675 453472997 /nfs/dbraw/zinc/47/29/97/453472997.db2.gz BUOYAXLJERMDES-UHFFFAOYSA-N 1 1 326.440 3.398 40 0 EGABMO O=C1NC[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3)C2)Oc2ccccc21 ZINC000019371938 453656776 /nfs/dbraw/zinc/65/67/76/453656776.db2.gz GGNONQJFXASSTJ-FXAWDEMLSA-N 1 1 336.435 3.090 40 0 EGABMO CC[N@@H+](C)[C@H]1CN(C(=O)Cc2ccc(OC)cc2)C2(C1)CCCCC2 ZINC000019704923 453658963 /nfs/dbraw/zinc/65/89/63/453658963.db2.gz XBTDVPSMJXZQFD-GOSISDBHSA-N 1 1 344.499 3.493 40 0 EGABMO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCO[C@H](C)C3)cc2)cc1 ZINC000024014578 453721760 /nfs/dbraw/zinc/72/17/60/453721760.db2.gz LGYJMRIVGMCTBT-OAHLLOKOSA-N 1 1 340.423 3.168 40 0 EGABMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CCO[C@H](C)C3)cc2)cc1 ZINC000024014578 453721761 /nfs/dbraw/zinc/72/17/61/453721761.db2.gz LGYJMRIVGMCTBT-OAHLLOKOSA-N 1 1 340.423 3.168 40 0 EGABMO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3csc(C)n3)C2)c1 ZINC000081571106 453890201 /nfs/dbraw/zinc/89/02/01/453890201.db2.gz HGXKTLAQLOZDEI-OAHLLOKOSA-N 1 1 347.484 3.179 40 0 EGABMO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3csc(C)n3)C2)c1 ZINC000081571106 453890203 /nfs/dbraw/zinc/89/02/03/453890203.db2.gz HGXKTLAQLOZDEI-OAHLLOKOSA-N 1 1 347.484 3.179 40 0 EGABMO Cc1cccc([C@H]2CCCC[N@H+]2CC(=O)NC2CCOCC2)c1C ZINC000075999870 453948039 /nfs/dbraw/zinc/94/80/39/453948039.db2.gz UKRJXVTXFQYQLS-LJQANCHMSA-N 1 1 330.472 3.126 40 0 EGABMO CCOc1ccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000044080796 454088178 /nfs/dbraw/zinc/08/81/78/454088178.db2.gz UGNAMKKJFLQNHS-HNNXBMFYSA-N 1 1 335.517 3.494 40 0 EGABMO CC1CCC([N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 ZINC000058017041 454160598 /nfs/dbraw/zinc/16/05/98/454160598.db2.gz QXPFMRDNXAMFBZ-HWOWSKLDSA-N 1 1 343.471 3.261 40 0 EGABMO CC1(C)[C@H]2C[C@@H]1C(COC[C@H](O)C[N@H+]1CCc3ccccc3C1)=CC2 ZINC000058407787 454200634 /nfs/dbraw/zinc/20/06/34/454200634.db2.gz DCHBVYQEDRWVSH-NJDAHSKKSA-N 1 1 341.495 3.415 40 0 EGABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccoc3C)n[nH]2)cc1OCC ZINC000095534534 454230545 /nfs/dbraw/zinc/23/05/45/454230545.db2.gz MTNWATBVMUHZOE-INIZCTEOSA-N 1 1 342.399 3.219 40 0 EGABMO CCOc1cc([C@H]([NH3+])c2nnc(-c3cccc(C)c3)[nH]2)ccc1OC ZINC000095534458 454231019 /nfs/dbraw/zinc/23/10/19/454231019.db2.gz IHHZKKLSMUVKKK-KRWDZBQOSA-N 1 1 338.411 3.236 40 0 EGABMO c1cc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)cs1 ZINC000096042536 454268357 /nfs/dbraw/zinc/26/83/57/454268357.db2.gz GSELNYPECBOYFO-KURKYZTESA-N 1 1 330.453 3.092 40 0 EGABMO c1cc(C[N@H+]2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)cs1 ZINC000096045978 454268418 /nfs/dbraw/zinc/26/84/18/454268418.db2.gz BUIHCOLPTRDFPW-SOUVJXGZSA-N 1 1 331.441 3.361 40 0 EGABMO O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096047005 454270269 /nfs/dbraw/zinc/27/02/69/454270269.db2.gz JQJWHWAMQRBVPZ-GOSISDBHSA-N 1 1 330.453 3.469 40 0 EGABMO Cc1ccc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2cccs2)C3)nn1 ZINC000096048434 454271733 /nfs/dbraw/zinc/27/17/33/454271733.db2.gz AWXCJRFHAIIYDH-CRAIPNDOSA-N 1 1 344.484 3.082 40 0 EGABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096056368 454274870 /nfs/dbraw/zinc/27/48/70/454274870.db2.gz IKZBQGBUDYQSMQ-KURKYZTESA-N 1 1 332.469 3.205 40 0 EGABMO CNc1cc(C)c([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072219050 454275671 /nfs/dbraw/zinc/27/56/71/454275671.db2.gz MMDUXSULQHNOFO-KRWDZBQOSA-N 1 1 345.468 3.266 40 0 EGABMO Cc1ccc(C[N@@H+]2Cc3cn(C)nc3[C@H](COCC3CC3)C2)s1 ZINC000096059856 454276604 /nfs/dbraw/zinc/27/66/04/454276604.db2.gz IDCAAGVPAIDZPY-INIZCTEOSA-N 1 1 331.485 3.316 40 0 EGABMO Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccc(C)n2)c(C)o1 ZINC000096064036 454279013 /nfs/dbraw/zinc/27/90/13/454279013.db2.gz HAKIUALDHHFNTK-RBUKOAKNSA-N 1 1 339.439 3.089 40 0 EGABMO COc1ccc2c(c1)C1(CCN(Cc3ccco3)CC1)[N@H+](C)CC2 ZINC000096100208 454282752 /nfs/dbraw/zinc/28/27/52/454282752.db2.gz MLDZVFJPUIKYQP-UHFFFAOYSA-N 1 1 326.440 3.267 40 0 EGABMO COc1ccc2c(c1)C1(CC[NH+](Cc3ccco3)CC1)N(C)CC2 ZINC000096100208 454282757 /nfs/dbraw/zinc/28/27/57/454282757.db2.gz MLDZVFJPUIKYQP-UHFFFAOYSA-N 1 1 326.440 3.267 40 0 EGABMO Cn1cccc1C(=O)N1CCC2(CC([N@@H+](C)Cc3ccco3)C2)CC1 ZINC000096159256 454295275 /nfs/dbraw/zinc/29/52/75/454295275.db2.gz AIKHPMZZRVXPML-UHFFFAOYSA-N 1 1 341.455 3.135 40 0 EGABMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(C(C)C)on2)CC1 ZINC000096181202 454298040 /nfs/dbraw/zinc/29/80/40/454298040.db2.gz IQDWGUNHNLYVKF-UHFFFAOYSA-N 1 1 327.428 3.064 40 0 EGABMO Fc1cccc(C[N@H+]2Cc3ccnn3C[C@@H](COCC3CC3)C2)c1 ZINC000096189125 454299749 /nfs/dbraw/zinc/29/97/49/454299749.db2.gz SLJMVTWWEUYIKT-KRWDZBQOSA-N 1 1 329.419 3.081 40 0 EGABMO Fc1cccc(C[N@@H+]2Cc3ccnn3C[C@@H](COCC3CC3)C2)c1 ZINC000096189125 454299752 /nfs/dbraw/zinc/29/97/52/454299752.db2.gz SLJMVTWWEUYIKT-KRWDZBQOSA-N 1 1 329.419 3.081 40 0 EGABMO c1csc(C[N@@H+]2CC[C@@H]3O[C@H](COCc4ccncc4)CC[C@@H]32)c1 ZINC000096186151 454299983 /nfs/dbraw/zinc/29/99/83/454299983.db2.gz PJCISBWYHOHDJT-WDSOQIARSA-N 1 1 344.480 3.482 40 0 EGABMO CCOC[C@@H]1CCC2(CCN(Cc3ccccc3OC)CC2)[N@H+]1C ZINC000096206779 454303739 /nfs/dbraw/zinc/30/37/39/454303739.db2.gz WYSSDXQQGHGDPF-SFHVURJKSA-N 1 1 332.488 3.161 40 0 EGABMO Cc1ncsc1C[N@H+]1Cc2cncn2C[C@H](COCC2CCC2)C1 ZINC000096207734 454303816 /nfs/dbraw/zinc/30/38/16/454303816.db2.gz ZXFBXIKWHDGFEJ-MRXNPFEDSA-N 1 1 346.500 3.097 40 0 EGABMO Cc1ncsc1C[N@@H+]1Cc2cncn2C[C@H](COCC2CCC2)C1 ZINC000096207734 454303819 /nfs/dbraw/zinc/30/38/19/454303819.db2.gz ZXFBXIKWHDGFEJ-MRXNPFEDSA-N 1 1 346.500 3.097 40 0 EGABMO Cc1cccc(C[N@H+]2CCCC[C@]23CCN(Cc2cccnc2)C3)n1 ZINC000096203149 454304226 /nfs/dbraw/zinc/30/42/26/454304226.db2.gz LQJQOSKRJGBEON-OAQYLSRUSA-N 1 1 336.483 3.416 40 0 EGABMO Cc1cccc(CN2CCCC[C@]23CC[N@H+](Cc2cccnc2)C3)n1 ZINC000096203149 454304229 /nfs/dbraw/zinc/30/42/29/454304229.db2.gz LQJQOSKRJGBEON-OAQYLSRUSA-N 1 1 336.483 3.416 40 0 EGABMO Cc1cccc(CN2CCCC[C@]23CC[N@@H+](Cc2cccnc2)C3)n1 ZINC000096203149 454304231 /nfs/dbraw/zinc/30/42/31/454304231.db2.gz LQJQOSKRJGBEON-OAQYLSRUSA-N 1 1 336.483 3.416 40 0 EGABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(F)cc1)C2 ZINC000096220679 454307105 /nfs/dbraw/zinc/30/71/05/454307105.db2.gz NRYBZBZOROOALJ-QUCCMNQESA-N 1 1 332.463 3.006 40 0 EGABMO Cc1nc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)cs1 ZINC000096221696 454308973 /nfs/dbraw/zinc/30/89/73/454308973.db2.gz HULOLCNRYDWNGM-QGZVFWFLSA-N 1 1 345.468 3.049 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](Oc4ncccn4)CO3)C2)s1 ZINC000096222576 454309220 /nfs/dbraw/zinc/30/92/20/454309220.db2.gz HECZIZUNNFBAFD-YJBOKZPZSA-N 1 1 345.468 3.049 40 0 EGABMO FC1(F)CC[N@@H+](Cc2cccnc2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096239574 454310570 /nfs/dbraw/zinc/31/05/70/454310570.db2.gz PXUSBBMMXNOSFU-GOSISDBHSA-N 1 1 344.409 3.214 40 0 EGABMO CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cccs1)CC2 ZINC000096259820 454313269 /nfs/dbraw/zinc/31/32/69/454313269.db2.gz IDOBDRYOINVJRJ-UHFFFAOYSA-N 1 1 331.485 3.449 40 0 EGABMO CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cccs1)CC2 ZINC000096259820 454313272 /nfs/dbraw/zinc/31/32/72/454313272.db2.gz IDOBDRYOINVJRJ-UHFFFAOYSA-N 1 1 331.485 3.449 40 0 EGABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@@H]32)C(=O)N1C ZINC000096261587 454315049 /nfs/dbraw/zinc/31/50/49/454315049.db2.gz KAKKINHLJHZXHJ-SIXWZSSISA-N 1 1 345.874 3.201 40 0 EGABMO Cc1nnc(C[N@@H+](C)CC2(c3ccc(Br)cc3)CC2)o1 ZINC000096421183 454336588 /nfs/dbraw/zinc/33/65/88/454336588.db2.gz CWPCVXUSRZGKEH-UHFFFAOYSA-N 1 1 336.233 3.304 40 0 EGABMO Cc1nnc(C[N@H+](C)CC2(c3ccc(Br)cc3)CC2)o1 ZINC000096421183 454336594 /nfs/dbraw/zinc/33/65/94/454336594.db2.gz CWPCVXUSRZGKEH-UHFFFAOYSA-N 1 1 336.233 3.304 40 0 EGABMO C[C@@H]([NH2+]CC(=O)Nc1ccncc1)c1ccccc1Br ZINC000096490713 454368839 /nfs/dbraw/zinc/36/88/39/454368839.db2.gz RBONAYPGSPSNMF-LLVKDONJSA-N 1 1 334.217 3.133 40 0 EGABMO Cc1cc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)ccc1Cl ZINC000096500136 454371687 /nfs/dbraw/zinc/37/16/87/454371687.db2.gz ZGVHFJZKWHUUEH-CYBMUJFWSA-N 1 1 346.822 3.303 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C2CCCCC2)C[C@H](C)O1 ZINC000048314222 454471576 /nfs/dbraw/zinc/47/15/76/454471576.db2.gz ZPVVDJDRGAOSRD-CALCHBBNSA-N 1 1 344.499 3.492 40 0 EGABMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C2CCCCC2)C[C@H](C)O1 ZINC000048314222 454471583 /nfs/dbraw/zinc/47/15/83/454471583.db2.gz ZPVVDJDRGAOSRD-CALCHBBNSA-N 1 1 344.499 3.492 40 0 EGABMO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)CC1CC1 ZINC000048355075 454478228 /nfs/dbraw/zinc/47/82/28/454478228.db2.gz LAAPAEZVIPXFLV-UHFFFAOYSA-N 1 1 337.423 3.219 40 0 EGABMO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000245228727 455280912 /nfs/dbraw/zinc/28/09/12/455280912.db2.gz DHLGTTUFAHBXDS-OTHWRCMBSA-N 1 1 345.527 3.357 40 0 EGABMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1cnc2ncccn12 ZINC000245316735 455281812 /nfs/dbraw/zinc/28/18/12/455281812.db2.gz KLRXURUBQSOWPT-FXAWDEMLSA-N 1 1 349.482 3.072 40 0 EGABMO CCOC[C@H](O)C[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000245338781 455282417 /nfs/dbraw/zinc/28/24/17/455282417.db2.gz ONIHBFNKQYVQDW-WBVHZDCISA-N 1 1 349.862 3.264 40 0 EGABMO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1csc(C)n1)CC2 ZINC000253416134 455841132 /nfs/dbraw/zinc/84/11/32/455841132.db2.gz WJYOVCOEFMGISQ-UHFFFAOYSA-N 1 1 348.468 3.078 40 0 EGABMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1csc(C)n1)CC2 ZINC000253416134 455841136 /nfs/dbraw/zinc/84/11/36/455841136.db2.gz WJYOVCOEFMGISQ-UHFFFAOYSA-N 1 1 348.468 3.078 40 0 EGABMO C[N@@H+](CC(=O)Nc1nccs1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000253426783 455845560 /nfs/dbraw/zinc/84/55/60/455845560.db2.gz AYKHGFVGHFGOJI-HUUCEWRRSA-N 1 1 349.431 3.073 40 0 EGABMO Cc1cc(-c2snnc2[C@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)on1 ZINC000253600203 455854397 /nfs/dbraw/zinc/85/43/97/455854397.db2.gz JKJYHRFGBXHNPF-UONOGXRCSA-N 1 1 346.456 3.374 40 0 EGABMO CC(C)[N@H+]1CCC[C@@H]1c1cccc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257212580 455880005 /nfs/dbraw/zinc/88/00/05/455880005.db2.gz CEARBWSZRHKRRK-MRXNPFEDSA-N 1 1 345.443 3.133 40 0 EGABMO COc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(CNC(C)=O)n2)c1 ZINC000257287518 455882249 /nfs/dbraw/zinc/88/22/49/455882249.db2.gz PQHVQYDZWRTSBF-HXUWFJFHSA-N 1 1 339.439 3.063 40 0 EGABMO Cc1cccc(Nc2cnc([C@@H]3CCC[N@H+](Cc4c[nH]cn4)C3)cn2)n1 ZINC000257305319 455887740 /nfs/dbraw/zinc/88/77/40/455887740.db2.gz SPKDBHUXGDVDOA-OAHLLOKOSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cccc(Nc2cnc([C@@H]3CCC[N@@H+](Cc4c[nH]cn4)C3)cn2)n1 ZINC000257305319 455887745 /nfs/dbraw/zinc/88/77/45/455887745.db2.gz SPKDBHUXGDVDOA-OAHLLOKOSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cccc(Nc2cnc([C@@H]3CCC[N@H+](Cc4cnc[nH]4)C3)cn2)n1 ZINC000257305319 455887751 /nfs/dbraw/zinc/88/77/51/455887751.db2.gz SPKDBHUXGDVDOA-OAHLLOKOSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cccc(Nc2cnc([C@@H]3CCC[N@@H+](Cc4cnc[nH]4)C3)cn2)n1 ZINC000257305319 455887753 /nfs/dbraw/zinc/88/77/53/455887753.db2.gz SPKDBHUXGDVDOA-OAHLLOKOSA-N 1 1 349.442 3.026 40 0 EGABMO COc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1C ZINC000223180823 456054179 /nfs/dbraw/zinc/05/41/79/456054179.db2.gz IXZPXTKGQWPCET-UHFFFAOYSA-N 1 1 335.407 3.428 40 0 EGABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)COc2ccc3c(c2)CCCC3)C1 ZINC000223396854 456056299 /nfs/dbraw/zinc/05/62/99/456056299.db2.gz WILBCOJTUNZZED-QGZVFWFLSA-N 1 1 344.499 3.182 40 0 EGABMO COCCn1ccnc1[C@H]1C[N@@H+](Cc2ccccn2)Cc2ccccc21 ZINC000306144568 456569317 /nfs/dbraw/zinc/56/93/17/456569317.db2.gz ZIYOMRAFFJBAEC-FQEVSTJZSA-N 1 1 348.450 3.072 40 0 EGABMO COCC[C@H]1Cn2cccc2C[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000585095411 459822274 /nfs/dbraw/zinc/82/22/74/459822274.db2.gz QBANWQCQYHBTAV-MRXNPFEDSA-N 1 1 344.455 3.174 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3CCF)CC2)cc1 ZINC000585100808 459822994 /nfs/dbraw/zinc/82/29/94/459822994.db2.gz XHFGVTIGMBYCKZ-IBGZPJMESA-N 1 1 334.435 3.012 40 0 EGABMO CC(C)[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 ZINC000585109692 459825441 /nfs/dbraw/zinc/82/54/41/459825441.db2.gz IWZICNKFXXJCHM-IRFCIJBXSA-N 1 1 342.483 3.098 40 0 EGABMO Cc1ccc(C)c(OC[C@@]2(O)C[N@H+](C3CCCCC3)CC[C@@H]2O)c1C ZINC000585287867 459833490 /nfs/dbraw/zinc/83/34/90/459833490.db2.gz UELNNDAPWHECDX-FPOVZHCZSA-N 1 1 347.499 3.121 40 0 EGABMO Cc1cnc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)s1 ZINC000618882009 460205991 /nfs/dbraw/zinc/20/59/91/460205991.db2.gz PPBSDOZHFPFDAQ-UKRRQHHQSA-N 1 1 330.457 3.409 40 0 EGABMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(Cc3ccccc3)CCC1)C2 ZINC000615610933 460357751 /nfs/dbraw/zinc/35/77/51/460357751.db2.gz DGBJDVLDQFWDDM-FQEVSTJZSA-N 1 1 326.484 3.344 40 0 EGABMO CC(C)n1nccc1C[N@H+]1CCC[C@H](c2ccnc(N(C)C)c2)C1 ZINC000257221777 535146759 /nfs/dbraw/zinc/14/67/59/535146759.db2.gz DQLMTTKQWZCDHF-KRWDZBQOSA-N 1 1 327.476 3.305 40 0 EGABMO C[NH+]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000052929075 214155036 /nfs/dbraw/zinc/15/50/36/214155036.db2.gz UMPQUZKYLAIZQT-UHFFFAOYSA-N 1 1 347.418 3.396 40 0 EGABMO CCc1ccc(C[N@H+]2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)o1 ZINC000097953890 219064809 /nfs/dbraw/zinc/06/48/09/219064809.db2.gz RXDINKOKOHENOX-RRQGHBQHSA-N 1 1 343.427 3.455 40 0 EGABMO COc1cccc(COC[C@@H](O)C[N@H+]2CCc3sccc3[C@H]2C)c1 ZINC000040007552 213249741 /nfs/dbraw/zinc/24/97/41/213249741.db2.gz YYZCKVOFEQSCLK-ZBFHGGJFSA-N 1 1 347.480 3.254 40 0 EGABMO COc1ccccc1CNC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038848852 213228661 /nfs/dbraw/zinc/22/86/61/213228661.db2.gz ZFLHNEOVUKLUPC-UHFFFAOYSA-N 1 1 335.407 3.178 40 0 EGABMO Cc1ccccc1O[C@@H](C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000036067602 213059248 /nfs/dbraw/zinc/05/92/48/213059248.db2.gz UCOFJZFXETWPBD-JZXOWHBKSA-N 1 1 332.488 3.247 40 0 EGABMO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072360360 216167635 /nfs/dbraw/zinc/16/76/35/216167635.db2.gz WSDNBXYQZPNLIX-QGZVFWFLSA-N 1 1 339.443 3.240 40 0 EGABMO CC(C)(C)C[N@H+]1CCC[C@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000072361894 216168325 /nfs/dbraw/zinc/16/83/25/216168325.db2.gz YKEJVWOGJKNQLL-AWEZNQCLSA-N 1 1 326.448 3.236 40 0 EGABMO O[C@@H]1C[C@H](C2CCCCC2)[N@@H+](Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000072634623 216285529 /nfs/dbraw/zinc/28/55/29/216285529.db2.gz QVUWMUQYNWYQRJ-IAGOWNOFSA-N 1 1 345.418 3.391 40 0 EGABMO C[S@](=O)C[C@H]([NH2+]Cc1ccc(Br)o1)c1ccccc1 ZINC000191464658 239127785 /nfs/dbraw/zinc/12/77/85/239127785.db2.gz WDOBFLMDKUFXHI-DJJJIMSYSA-N 1 1 342.258 3.252 40 0 EGABMO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)nc1 ZINC000257206135 244134035 /nfs/dbraw/zinc/13/40/35/244134035.db2.gz BCAFZROKBGMOOM-MRXNPFEDSA-N 1 1 337.427 3.456 40 0 EGABMO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)nc1 ZINC000257206135 244134039 /nfs/dbraw/zinc/13/40/39/244134039.db2.gz BCAFZROKBGMOOM-MRXNPFEDSA-N 1 1 337.427 3.456 40 0 EGABMO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)nc1 ZINC000257206135 244134044 /nfs/dbraw/zinc/13/40/44/244134044.db2.gz BCAFZROKBGMOOM-MRXNPFEDSA-N 1 1 337.427 3.456 40 0 EGABMO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000257210431 244148936 /nfs/dbraw/zinc/14/89/36/244148936.db2.gz BUNXBFTWRXRXMD-OAHLLOKOSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000257210431 244148943 /nfs/dbraw/zinc/14/89/43/244148943.db2.gz BUNXBFTWRXRXMD-OAHLLOKOSA-N 1 1 349.442 3.026 40 0 EGABMO c1nc(C[N@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)cs1 ZINC000257211526 244151832 /nfs/dbraw/zinc/15/18/32/244151832.db2.gz BZFHAHYIBKPJRS-INIZCTEOSA-N 1 1 339.464 3.382 40 0 EGABMO c1nc(C[N@@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)cs1 ZINC000257211526 244151837 /nfs/dbraw/zinc/15/18/37/244151837.db2.gz BZFHAHYIBKPJRS-INIZCTEOSA-N 1 1 339.464 3.382 40 0 EGABMO c1c[nH]c(C[NH+]2CCC(c3ccnc(Nc4ccccn4)c3)CC2)n1 ZINC000257224350 244195690 /nfs/dbraw/zinc/19/56/90/244195690.db2.gz FBLMIVIPNWDNBT-UHFFFAOYSA-N 1 1 334.427 3.323 40 0 EGABMO CN(CCOc1ccccc1)CC[N@@H+](C)CCOc1ccccc1 ZINC000019365952 212023189 /nfs/dbraw/zinc/02/31/89/212023189.db2.gz KXWPZVZHGBFMFO-UHFFFAOYSA-N 1 1 328.456 3.008 40 0 EGABMO C[C@H]([NH2+]Cc1cccs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000078553303 217075626 /nfs/dbraw/zinc/07/56/26/217075626.db2.gz PWUUBTKCOXEFGD-AWEZNQCLSA-N 1 1 333.476 3.490 40 0 EGABMO Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000079289691 217204170 /nfs/dbraw/zinc/20/41/70/217204170.db2.gz WBJLMMKVVYHXDN-KRWDZBQOSA-N 1 1 341.430 3.058 40 0 EGABMO OC1(c2ccccn2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012135103 211301753 /nfs/dbraw/zinc/30/17/53/211301753.db2.gz HZCOZLFAMQZVDA-NYTJIUQPSA-N 1 1 344.405 3.480 40 0 EGABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc1 ZINC000012135068 211300930 /nfs/dbraw/zinc/30/09/30/211300930.db2.gz IVHMOSKBUHYOLU-HTZLVSCSSA-N 1 1 338.451 3.210 40 0 EGABMO Cc1ccc([C@H]2C[N@H+](Cc3ccc(-n4cncn4)c(C)c3)CCO2)o1 ZINC000093864622 218254646 /nfs/dbraw/zinc/25/46/46/218254646.db2.gz KWVILAAWQYVTBR-LJQANCHMSA-N 1 1 338.411 3.051 40 0 EGABMO Cc1ccc([C@H]2C[N@@H+](Cc3ccc(-n4cncn4)c(C)c3)CCO2)o1 ZINC000093864622 218254649 /nfs/dbraw/zinc/25/46/49/218254649.db2.gz KWVILAAWQYVTBR-LJQANCHMSA-N 1 1 338.411 3.051 40 0 EGABMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000096443551 218824772 /nfs/dbraw/zinc/82/47/72/218824772.db2.gz RHKXBQKADZSMCO-UONOGXRCSA-N 1 1 331.485 3.072 40 0 EGABMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccsc1 ZINC000096439081 218818401 /nfs/dbraw/zinc/81/84/01/218818401.db2.gz HLHUTXSHBMMWOA-SFHVURJKSA-N 1 1 343.496 3.412 40 0 EGABMO CCC(=O)N1CCCc2cc([C@H](O)C[N@H+]3CCC[C@H](C)C3)ccc21 ZINC000036741240 132393375 /nfs/dbraw/zinc/39/33/75/132393375.db2.gz RJWUXZLTVUFXQN-HNAYVOBHSA-N 1 1 330.472 3.141 40 0 EGABMO CCOc1ccc(Br)c([C@@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000004339495 276372129 /nfs/dbraw/zinc/37/21/29/276372129.db2.gz KTZNNKANCYRNTA-MQIPJXDCSA-N 1 1 342.277 3.396 40 0 EGABMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C(F)(F)F)C2 ZINC000063527624 277184646 /nfs/dbraw/zinc/18/46/46/277184646.db2.gz DSUASNYEKBIOLK-INIZCTEOSA-N 1 1 326.362 3.263 40 0 EGABMO C[NH+]1CCN(c2nc(-c3ccc(Br)s3)cs2)CC1 ZINC000008392942 453200582 /nfs/dbraw/zinc/20/05/82/453200582.db2.gz VAWSEURZXRXSPU-UHFFFAOYSA-N 1 1 344.303 3.386 40 0 EGABMO COc1cccc(C=O)c1OCCC[N@H+]1CCc2ccccc2C1 ZINC000008731585 453229037 /nfs/dbraw/zinc/22/90/37/453229037.db2.gz IFMDSRUSXWUOPO-UHFFFAOYSA-N 1 1 325.408 3.335 40 0 EGABMO C=Cc1ccc(C[N@H+]2CCC[C@@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000012087300 453346319 /nfs/dbraw/zinc/34/63/19/453346319.db2.gz BAGWNUBCHFBKCC-QFIPXVFZSA-N 1 1 348.446 3.487 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)cc1Cc1c(C)noc1C ZINC000012188267 453350581 /nfs/dbraw/zinc/35/05/81/453350581.db2.gz IBMUQVSENUPZIY-DJJJIMSYSA-N 1 1 344.455 3.094 40 0 EGABMO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)CCOc1ccccc1Cl ZINC000012763558 453400324 /nfs/dbraw/zinc/40/03/24/453400324.db2.gz HISDOIWJGSBAAQ-CQSZACIVSA-N 1 1 338.879 3.488 40 0 EGABMO C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)CCOc1ccccc1Cl ZINC000012763558 453400333 /nfs/dbraw/zinc/40/03/33/453400333.db2.gz HISDOIWJGSBAAQ-CQSZACIVSA-N 1 1 338.879 3.488 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC(O)(c2cccc(C)c2)CC1 ZINC000013996259 453496106 /nfs/dbraw/zinc/49/61/06/453496106.db2.gz ZDDIRYNJMXEDFD-LJQANCHMSA-N 1 1 344.499 3.070 40 0 EGABMO Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)Nc2ccccc2)c1C ZINC000014139214 453510825 /nfs/dbraw/zinc/51/08/25/453510825.db2.gz MUKJOFWICMKOGU-UHFFFAOYSA-N 1 1 339.439 3.203 40 0 EGABMO Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccccc2)c1C ZINC000014139214 453510828 /nfs/dbraw/zinc/51/08/28/453510828.db2.gz MUKJOFWICMKOGU-UHFFFAOYSA-N 1 1 339.439 3.203 40 0 EGABMO COc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCCCCN3C(C)=O)c1OC ZINC000019712162 453658501 /nfs/dbraw/zinc/65/85/01/453658501.db2.gz OHTXZCKUYGPGPV-MSOLQXFVSA-N 1 1 346.471 3.069 40 0 EGABMO CCOc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCC3)C2=O)cc1 ZINC000059457410 454260238 /nfs/dbraw/zinc/26/02/38/454260238.db2.gz NLYBKEPKMXFIGE-RVDMUPIBSA-N 1 1 332.425 3.175 40 0 EGABMO Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CCC3)C2)no1 ZINC000096040328 454266870 /nfs/dbraw/zinc/26/68/70/454266870.db2.gz PPFGYKQFKWYHOX-RTBURBONSA-N 1 1 334.460 3.171 40 0 EGABMO Cc1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCC3CCC3)C2)no1 ZINC000096040328 454266877 /nfs/dbraw/zinc/26/68/77/454266877.db2.gz PPFGYKQFKWYHOX-RTBURBONSA-N 1 1 334.460 3.171 40 0 EGABMO c1csc(CN2CCC3(CC2)CC[NH+](Cc2cccnc2)CC3)n1 ZINC000096047219 454269835 /nfs/dbraw/zinc/26/98/35/454269835.db2.gz HPRXDHLLZGTUKK-UHFFFAOYSA-N 1 1 342.512 3.416 40 0 EGABMO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1ccco1)C2 ZINC000096050610 454273185 /nfs/dbraw/zinc/27/31/85/454273185.db2.gz UEFDSVFJEHKYKE-LJQANCHMSA-N 1 1 328.387 3.043 40 0 EGABMO Cc1cc(N2CCOCC2)[nH+]cc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072219397 454275526 /nfs/dbraw/zinc/27/55/26/454275526.db2.gz ZGVKKPWACLXHJQ-INIZCTEOSA-N 1 1 347.459 3.299 40 0 EGABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072227189 454275604 /nfs/dbraw/zinc/27/56/04/454275604.db2.gz ROVLGZOCKWPRGR-CABCVRRESA-N 1 1 337.206 3.417 40 0 EGABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 ZINC000072227209 454275764 /nfs/dbraw/zinc/27/57/64/454275764.db2.gz VHXSPYHBLSWLKL-KGLIPLIRSA-N 1 1 335.176 3.003 40 0 EGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Br)cc2)cc1C ZINC000072227848 454275973 /nfs/dbraw/zinc/27/59/73/454275973.db2.gz ADIYVTWVBNPUSW-HZPDHXFCSA-N 1 1 345.240 3.481 40 0 EGABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccccc2Cl)cc1Cl ZINC000072227916 454276068 /nfs/dbraw/zinc/27/60/68/454276068.db2.gz RJBVXHFTRPTXGY-HUUCEWRRSA-N 1 1 337.206 3.417 40 0 EGABMO Cc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC000096216135 454305449 /nfs/dbraw/zinc/30/54/49/454305449.db2.gz OKOXZNXKKKMTLC-NRFANRHFSA-N 1 1 336.483 3.273 40 0 EGABMO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC000096216135 454305452 /nfs/dbraw/zinc/30/54/52/454305452.db2.gz OKOXZNXKKKMTLC-NRFANRHFSA-N 1 1 336.483 3.273 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC000096216135 454305453 /nfs/dbraw/zinc/30/54/53/454305453.db2.gz OKOXZNXKKKMTLC-NRFANRHFSA-N 1 1 336.483 3.273 40 0 EGABMO COC[C@@H]1CCC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)[N@H+]1C ZINC000096209278 454305848 /nfs/dbraw/zinc/30/58/48/454305848.db2.gz MHWJRGPVYZGZRB-HNNXBMFYSA-N 1 1 336.501 3.080 40 0 EGABMO COCCC[N@H+]1CCCC12CCN(C(=O)c1cccc(C)c1)CC2 ZINC000096227933 454308913 /nfs/dbraw/zinc/30/89/13/454308913.db2.gz FKQVRQZPDYEOGF-UHFFFAOYSA-N 1 1 330.472 3.102 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccccn2)C[C@]12CCN(c1cccnc1)C2 ZINC000096239565 454310746 /nfs/dbraw/zinc/31/07/46/454310746.db2.gz PHXAJJIIGUWXIB-SFHVURJKSA-N 1 1 344.409 3.214 40 0 EGABMO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC2(CC[NH+](CCF)CC2)Oc2ccccc21 ZINC000096242747 454311411 /nfs/dbraw/zinc/31/14/11/454311411.db2.gz VDNRKVMLQCIPPQ-HYVNUMGLSA-N 1 1 346.446 3.087 40 0 EGABMO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000096424517 454338539 /nfs/dbraw/zinc/33/85/39/454338539.db2.gz STGOPCOAFXHJKT-QGZVFWFLSA-N 1 1 326.444 3.419 40 0 EGABMO Cc1cc(C)c(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000176477065 454750577 /nfs/dbraw/zinc/75/05/77/454750577.db2.gz BJHLXFCPOSZYMY-SFHVURJKSA-N 1 1 326.440 3.191 40 0 EGABMO O=C1N(CC2CC2)CC[C@@]12CCC[N@H+](Cc1cncc(Cl)c1)CC2 ZINC000108533826 454802384 /nfs/dbraw/zinc/80/23/84/454802384.db2.gz FCJDSZJIQCNZRO-IBGZPJMESA-N 1 1 347.890 3.350 40 0 EGABMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2C)C1 ZINC000191082715 455439109 /nfs/dbraw/zinc/43/91/09/455439109.db2.gz SUOJZCWQIQNWLK-AWEZNQCLSA-N 1 1 328.378 3.314 40 0 EGABMO O=c1cc([C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)nc(-c2ccncc2)[nH]1 ZINC000247813178 455648036 /nfs/dbraw/zinc/64/80/36/455648036.db2.gz CAYHPOHBXLBIEM-NVXWUHKLSA-N 1 1 336.439 3.390 40 0 EGABMO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(OCc3ccc(F)cc3)CC2)n1 ZINC000192718087 455676942 /nfs/dbraw/zinc/67/69/42/455676942.db2.gz MQFGSCRLCGLBOU-CQSZACIVSA-N 1 1 345.418 3.372 40 0 EGABMO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(Br)cs1 ZINC000194071946 455799299 /nfs/dbraw/zinc/79/92/99/455799299.db2.gz NNZHCIGRMSOXCV-SCZZXKLOSA-N 1 1 327.251 3.288 40 0 EGABMO CC(=O)Nc1ccc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000252586766 455822397 /nfs/dbraw/zinc/82/23/97/455822397.db2.gz SJBMPBACTOFJLE-FOIQADDNSA-N 1 1 338.455 3.363 40 0 EGABMO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000252581603 455822706 /nfs/dbraw/zinc/82/27/06/455822706.db2.gz CEMMMONWLYPBFP-LSDHHAIUSA-N 1 1 347.427 3.076 40 0 EGABMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000252581603 455822713 /nfs/dbraw/zinc/82/27/13/455822713.db2.gz CEMMMONWLYPBFP-LSDHHAIUSA-N 1 1 347.427 3.076 40 0 EGABMO COc1cccc(C[N@H+]2CCC[C@H]2c2cccc(CNC(C)=O)n2)c1 ZINC000257287517 455883000 /nfs/dbraw/zinc/88/30/00/455883000.db2.gz PQHVQYDZWRTSBF-FQEVSTJZSA-N 1 1 339.439 3.063 40 0 EGABMO Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@H+]3C)s1 ZINC000257288685 455884119 /nfs/dbraw/zinc/88/41/19/455884119.db2.gz PVDZPXDIKKNZAM-AFIMGQEJSA-N 1 1 333.501 3.237 40 0 EGABMO Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@@H+]2C ZINC000257302288 455886820 /nfs/dbraw/zinc/88/68/20/455886820.db2.gz SCIRPYRZYPAFAI-WOJBJXKFSA-N 1 1 339.483 3.412 40 0 EGABMO Cc1cc(N)cc([C@@H]2CN(Cc3ccnc4ccccc34)CCO2)[nH+]1 ZINC000257310184 455889269 /nfs/dbraw/zinc/88/92/69/455889269.db2.gz UEAXGLQZEMUGAL-FQEVSTJZSA-N 1 1 334.423 3.094 40 0 EGABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257321224 455891108 /nfs/dbraw/zinc/89/11/08/455891108.db2.gz WAQUDGGUQYHLCM-SFHVURJKSA-N 1 1 331.423 3.232 40 0 EGABMO Cc1cc(N)cc([C@@H]2CN(Cc3ccc4ccccc4n3)CCO2)[nH+]1 ZINC000257325182 455891800 /nfs/dbraw/zinc/89/18/00/455891800.db2.gz WRVXNZZMHUQSLG-FQEVSTJZSA-N 1 1 334.423 3.094 40 0 EGABMO COc1cccc(C[N@H+]2CC[C@H]3COC(=O)N3c3ccccc3C2)c1 ZINC000225483256 456087223 /nfs/dbraw/zinc/08/72/23/456087223.db2.gz JUEXGGGKHSNRPT-KRWDZBQOSA-N 1 1 338.407 3.426 40 0 biogenic,in-vitro EGABMO CC1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCCC1 ZINC000225597250 456095695 /nfs/dbraw/zinc/09/56/95/456095695.db2.gz FKDJSDUTMAERSI-UHFFFAOYSA-N 1 1 346.471 3.307 40 0 EGABMO CCC[N@@H+]1C[C@H]2c3cc(-c4ccccc4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306142398 456567449 /nfs/dbraw/zinc/56/74/49/456567449.db2.gz WYQGOAYLALGFET-HKUYNNGSSA-N 1 1 327.449 3.319 40 0 EGABMO CCC[N@H+]1C[C@H]2c3cc(-c4ccccc4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306142398 456567457 /nfs/dbraw/zinc/56/74/57/456567457.db2.gz WYQGOAYLALGFET-HKUYNNGSSA-N 1 1 327.449 3.319 40 0 EGABMO c1csc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)n1 ZINC000306137919 456567716 /nfs/dbraw/zinc/56/77/16/456567716.db2.gz RKCBXZLMELHCHT-HZPDHXFCSA-N 1 1 336.464 3.311 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)nn1 ZINC000283058209 456701034 /nfs/dbraw/zinc/70/10/34/456701034.db2.gz JIKBBHOWKRPQPF-CYBMUJFWSA-N 1 1 344.484 3.200 40 0 EGABMO COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000585095410 459821908 /nfs/dbraw/zinc/82/19/08/459821908.db2.gz QBANWQCQYHBTAV-INIZCTEOSA-N 1 1 344.455 3.174 40 0 EGABMO C[C@H](c1ccccc1)[N@H+]1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099667 459823010 /nfs/dbraw/zinc/82/30/10/459823010.db2.gz WATWQQIJTNYWIC-DNVCBOLYSA-N 1 1 341.480 3.329 40 0 EGABMO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)o1 ZINC000585103937 459824358 /nfs/dbraw/zinc/82/43/58/459824358.db2.gz DYVHICJNJMNQQH-KRWDZBQOSA-N 1 1 330.453 3.260 40 0 EGABMO c1cc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)cs1 ZINC000585104752 459825290 /nfs/dbraw/zinc/82/52/90/459825290.db2.gz LZHJJQZFNPFPQC-MRXNPFEDSA-N 1 1 332.494 3.420 40 0 EGABMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cc2noc3ccccc23)C1 ZINC000053304039 214176016 /nfs/dbraw/zinc/17/60/16/214176016.db2.gz WJVMMRNYHLBHFF-GASCZTMLSA-N 1 1 343.471 3.243 40 0 EGABMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccncc1Cl ZINC000174428933 529955213 /nfs/dbraw/zinc/95/52/13/529955213.db2.gz SMGAXQXGVGIIJL-INIZCTEOSA-N 1 1 343.858 3.329 40 0 EGABMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cccs3)cc2)C[C@H](C)O1 ZINC000040087473 213260341 /nfs/dbraw/zinc/26/03/41/213260341.db2.gz SLTRMEYALJIQTC-GASCZTMLSA-N 1 1 344.480 3.287 40 0 EGABMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)CC[C@H]2N1C1CC1 ZINC000189737292 237203858 /nfs/dbraw/zinc/20/38/58/237203858.db2.gz VQBIFUIXXIUVEY-CXAGYDPISA-N 1 1 336.838 3.454 40 0 EGABMO Fc1ccc(C[N@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cc1 ZINC000072355443 216163494 /nfs/dbraw/zinc/16/34/94/216163494.db2.gz DYLDDWCYTGEHCU-INIZCTEOSA-N 1 1 337.402 3.181 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cncc(-n3ccnc3)n2)cc1 ZINC000072378687 216180804 /nfs/dbraw/zinc/18/08/04/216180804.db2.gz VCPOLHCHMUVOAO-GOSISDBHSA-N 1 1 335.411 3.008 40 0 EGABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000072378951 216181026 /nfs/dbraw/zinc/18/10/26/216181026.db2.gz MVGHZEJRLQRHKP-KRWDZBQOSA-N 1 1 338.455 3.472 40 0 EGABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072379230 216181100 /nfs/dbraw/zinc/18/11/00/216181100.db2.gz PTLKIGJTKOBXBL-QGZVFWFLSA-N 1 1 326.444 3.146 40 0 EGABMO CN(C)c1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000022610936 212310999 /nfs/dbraw/zinc/31/09/99/212310999.db2.gz LWCPIZXRTYOVQT-UHFFFAOYSA-N 1 1 337.467 3.101 40 0 EGABMO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000225804761 242044653 /nfs/dbraw/zinc/04/46/53/242044653.db2.gz CZUHJYVSZLKYSQ-GOSISDBHSA-N 1 1 341.455 3.307 40 0 EGABMO Cc1ccc(C)c(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020512040 212142134 /nfs/dbraw/zinc/14/21/34/212142134.db2.gz QCCYNTKULSZZLS-UHFFFAOYSA-N 1 1 338.451 3.027 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)Oc1cccc(OC)c1 ZINC000020491802 212139408 /nfs/dbraw/zinc/13/94/08/212139408.db2.gz TYASKSAOCALWHG-SJORKVTESA-N 1 1 348.487 3.233 40 0 EGABMO c1csc(C[N@H+]2CCO[C@H]3C[C@@H](COCc4ccccn4)C[C@@H]32)c1 ZINC000253588878 244029439 /nfs/dbraw/zinc/02/94/39/244029439.db2.gz XHELEDPQKOSEAG-SNRMKQJTSA-N 1 1 344.480 3.339 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3C[C@@H](COCc4ccccn4)C[C@@H]32)c1 ZINC000253588878 244029445 /nfs/dbraw/zinc/02/94/45/244029445.db2.gz XHELEDPQKOSEAG-SNRMKQJTSA-N 1 1 344.480 3.339 40 0 EGABMO Cc1cccc(N2CCC[C@H](N(C)C(=O)Cc3ccsc3)C2)[nH+]1 ZINC000257214318 244160514 /nfs/dbraw/zinc/16/05/14/244160514.db2.gz CLOVOOKRRPQJIL-INIZCTEOSA-N 1 1 329.469 3.121 40 0 EGABMO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3)[N@H+]2Cc2ccncc2)N1 ZINC000257220130 244180711 /nfs/dbraw/zinc/18/07/11/244180711.db2.gz DJQUWBYDKSUXRE-AABGKKOBSA-N 1 1 335.451 3.456 40 0 EGABMO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2F)ccn1 ZINC000257245155 244256696 /nfs/dbraw/zinc/25/66/96/244256696.db2.gz IOGKJVSYCCSUBT-IBGZPJMESA-N 1 1 345.393 3.333 40 0 EGABMO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2F)ccn1 ZINC000257245155 244256705 /nfs/dbraw/zinc/25/67/05/244256705.db2.gz IOGKJVSYCCSUBT-IBGZPJMESA-N 1 1 345.393 3.333 40 0 EGABMO CNc1cc([C@@H]2CCC[N@@H+]2Cc2c(C)nc3sccn23)ccn1 ZINC000257252935 244273238 /nfs/dbraw/zinc/27/32/38/244273238.db2.gz JWTRLIWWFRYXEH-AWEZNQCLSA-N 1 1 327.457 3.478 40 0 EGABMO CNc1cc([C@@H]2CCC[N@H+]2Cc2c(C)nc3sccn23)ccn1 ZINC000257252935 244273241 /nfs/dbraw/zinc/27/32/41/244273241.db2.gz JWTRLIWWFRYXEH-AWEZNQCLSA-N 1 1 327.457 3.478 40 0 EGABMO CCOc1cc(C=O)ccc1OCC[N@@H+]1CCc2ccccc2C1 ZINC000020131595 212103916 /nfs/dbraw/zinc/10/39/16/212103916.db2.gz OHZFXITZHYXYGK-UHFFFAOYSA-N 1 1 325.408 3.335 40 0 EGABMO CCOc1cc(C=O)ccc1OCC[N@H+]1CCc2ccccc2C1 ZINC000020131595 212103920 /nfs/dbraw/zinc/10/39/20/212103920.db2.gz OHZFXITZHYXYGK-UHFFFAOYSA-N 1 1 325.408 3.335 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019554920 212040852 /nfs/dbraw/zinc/04/08/52/212040852.db2.gz DIPGXDIVUVFCST-MRXNPFEDSA-N 1 1 336.395 3.130 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cnn(Cc2ccc(F)cc2)c1 ZINC000019500969 212034188 /nfs/dbraw/zinc/03/41/88/212034188.db2.gz PZUMMVAOJBKZEQ-GOSISDBHSA-N 1 1 344.434 3.274 40 0 EGABMO Fc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)c1F ZINC000019292700 212012840 /nfs/dbraw/zinc/01/28/40/212012840.db2.gz CSUQIKDATUFUDA-CQSZACIVSA-N 1 1 342.349 3.399 40 0 EGABMO Nc1nc(C[NH+]2CCC(c3nccs3)CC2)nc2ccccc12 ZINC000078440873 217051917 /nfs/dbraw/zinc/05/19/17/217051917.db2.gz CODQYKZVCKHDLB-UHFFFAOYSA-N 1 1 325.441 3.048 40 0 EGABMO CCc1ncc(C[N@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012188836 211315435 /nfs/dbraw/zinc/31/54/35/211315435.db2.gz PBPMIVPPFLXIDI-IBGZPJMESA-N 1 1 329.419 3.052 40 0 EGABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc(N)n2n1 ZINC000012185885 211312938 /nfs/dbraw/zinc/31/29/38/211312938.db2.gz YHHQYRVLRKXMQZ-HNNXBMFYSA-N 1 1 339.418 3.139 40 0 EGABMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CC2CCSCC2)C1 ZINC000095417000 218356955 /nfs/dbraw/zinc/35/69/55/218356955.db2.gz ZYPNJWXWCYLFHU-GOSISDBHSA-N 1 1 332.513 3.253 40 0 EGABMO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000257324849 277038114 /nfs/dbraw/zinc/03/81/14/277038114.db2.gz WQLHNTRUEATMHM-SFHVURJKSA-N 1 1 330.476 3.138 40 0 EGABMO CN(C(=O)Cc1nc(-c2ccc(F)cc2)cs1)[C@H]1CCC[N@@H+](C)C1 ZINC000097097374 323214610 /nfs/dbraw/zinc/21/46/10/323214610.db2.gz NLSULLGZQMZDIC-HNNXBMFYSA-N 1 1 347.459 3.044 40 0 EGABMO [NH3+]Cc1nc(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)cs1 ZINC000238078495 455251976 /nfs/dbraw/zinc/25/19/76/455251976.db2.gz OCOZMPNLYOIULO-UHFFFAOYSA-N 1 1 339.420 3.060 40 0 EGABMO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3nc(C)c(C)o3)CCN2C2CC2)c1 ZINC000240555912 455264687 /nfs/dbraw/zinc/26/46/87/455264687.db2.gz GYCKVJVBGWYXBT-AZUAARDMSA-N 1 1 341.455 3.368 40 0 EGABMO COc1cccc([C@@H]2[C@@H](NCc3nc(C)c(C)o3)CC[N@@H+]2C2CC2)c1 ZINC000240555912 455264690 /nfs/dbraw/zinc/26/46/90/455264690.db2.gz GYCKVJVBGWYXBT-AZUAARDMSA-N 1 1 341.455 3.368 40 0 EGABMO COc1cccc([C@@H]2[C@@H](NCc3nc(C)c(C)o3)CC[N@H+]2C2CC2)c1 ZINC000240555912 455264692 /nfs/dbraw/zinc/26/46/92/455264692.db2.gz GYCKVJVBGWYXBT-AZUAARDMSA-N 1 1 341.455 3.368 40 0 EGABMO CC(=O)N1CC[N@@H+](Cc2cn(C(C)C)nc2C)CC12CCCCC2 ZINC000240912298 455265640 /nfs/dbraw/zinc/26/56/40/455265640.db2.gz IXETVZDJKBSGKO-UHFFFAOYSA-N 1 1 332.492 3.139 40 0 EGABMO CC(=O)N1CC[N@H+](Cc2cn(C(C)C)nc2C)CC12CCCCC2 ZINC000240912298 455265643 /nfs/dbraw/zinc/26/56/43/455265643.db2.gz IXETVZDJKBSGKO-UHFFFAOYSA-N 1 1 332.492 3.139 40 0 EGABMO C[N@H+]1CCC[C@H]1COC(=O)[C@@H](c1ccccc1)C1(O)CCCCC1 ZINC000004962060 452827208 /nfs/dbraw/zinc/82/72/08/452827208.db2.gz UNEGQFUYGINFAB-ZWKOTPCHSA-N 1 1 331.456 3.103 40 0 EGABMO CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1 ZINC000005959320 452914367 /nfs/dbraw/zinc/91/43/67/452914367.db2.gz DFTJGGTUHBQNFE-SFHVURJKSA-N 1 1 330.472 3.310 40 0 EGABMO CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1c[nH]c2c(Cl)cccc2c1=O ZINC000013565995 453469949 /nfs/dbraw/zinc/46/99/49/453469949.db2.gz VLABRWPKKLAJHH-LLVKDONJSA-N 1 1 348.834 3.200 40 0 EGABMO CC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000014242184 453523919 /nfs/dbraw/zinc/52/39/19/453523919.db2.gz ZHIFIHIACTXESU-NSHGMRRFSA-N 1 1 331.456 3.284 40 0 EGABMO Cc1ccc([C@H](CNC(=O)COc2cc(C)cc(C)c2)[NH+](C)C)o1 ZINC000015860134 453587839 /nfs/dbraw/zinc/58/78/39/453587839.db2.gz NCFFRLNRKILVCX-KRWDZBQOSA-N 1 1 330.428 3.003 40 0 EGABMO CC(=O)N1CCc2cc([C@H](O)C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)ccc21 ZINC000019019180 453653559 /nfs/dbraw/zinc/65/35/59/453653559.db2.gz VLTGLJGOXUUTIJ-NBHGPNQESA-N 1 1 342.483 3.284 40 0 EGABMO Cn1cccc1[C@H](CNC(=O)C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000021151555 453672578 /nfs/dbraw/zinc/67/25/78/453672578.db2.gz URKZLZQUMFDMML-IBGZPJMESA-N 1 1 339.483 3.287 40 0 EGABMO Cn1cccc1[C@H](CNC(=O)C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000021151555 453672584 /nfs/dbraw/zinc/67/25/84/453672584.db2.gz URKZLZQUMFDMML-IBGZPJMESA-N 1 1 339.483 3.287 40 0 EGABMO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932253 453821478 /nfs/dbraw/zinc/82/14/78/453821478.db2.gz WBVLCVHAYAQPDX-WCQYABFASA-N 1 1 343.254 3.067 40 0 EGABMO COCc1ccccc1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000029666340 453830573 /nfs/dbraw/zinc/83/05/73/453830573.db2.gz NQCBMVAZHHHELP-MRXNPFEDSA-N 1 1 338.451 3.010 40 0 EGABMO c1csc(C2([NH2+]Cc3ccc(-n4ccnc4)nc3)CCCC2)n1 ZINC000083225752 453944089 /nfs/dbraw/zinc/94/40/89/453944089.db2.gz BOJIBIWHOPNOFF-UHFFFAOYSA-N 1 1 325.441 3.283 40 0 EGABMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)/C=C/c1cscn1 ZINC000076389828 453996546 /nfs/dbraw/zinc/99/65/46/453996546.db2.gz PHGKEJYLISEYIU-FDMDGMSGSA-N 1 1 341.480 3.279 40 0 EGABMO CCOc1cc([C@@H]([NH3+])c2nnc(-c3ccc(F)cc3)[nH]2)ccc1OC ZINC000095534353 454230765 /nfs/dbraw/zinc/23/07/65/454230765.db2.gz QHUJCHFIYGWNRD-MRXNPFEDSA-N 1 1 342.374 3.066 40 0 EGABMO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccccc3C)[nH]2)cc1OC ZINC000095534286 454230982 /nfs/dbraw/zinc/23/09/82/454230982.db2.gz SWIQPFZCWOEBNK-KRWDZBQOSA-N 1 1 338.411 3.236 40 0 EGABMO COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000096039143 454265396 /nfs/dbraw/zinc/26/53/96/454265396.db2.gz CIKOGMGUTKCFOG-VQTJNVASSA-N 1 1 326.440 3.252 40 0 EGABMO Cc1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)oc1C ZINC000096041656 454266770 /nfs/dbraw/zinc/26/67/70/454266770.db2.gz YHZJPBYWHVRBFG-XUVXKRRUSA-N 1 1 349.471 3.071 40 0 EGABMO Cc1cc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)oc1C ZINC000096041656 454266776 /nfs/dbraw/zinc/26/67/76/454266776.db2.gz YHZJPBYWHVRBFG-XUVXKRRUSA-N 1 1 349.471 3.071 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)co1 ZINC000096039976 454266936 /nfs/dbraw/zinc/26/69/36/454266936.db2.gz OAFDTTLQWVUFQE-MOPGFXCFSA-N 1 1 328.412 3.125 40 0 EGABMO COCCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C)s1)CC2 ZINC000096047523 454269282 /nfs/dbraw/zinc/26/92/82/454269282.db2.gz KBFXHTCQQGKQSZ-SFHVURJKSA-N 1 1 336.501 3.050 40 0 EGABMO c1csc(CN2CCC3(CC[N@@H+](Cc4nccs4)C3)CC2)n1 ZINC000096046615 454269732 /nfs/dbraw/zinc/26/97/32/454269732.db2.gz DUQHWLROKCAZKA-UHFFFAOYSA-N 1 1 334.514 3.088 40 0 EGABMO O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](Cc1ccncc1)C2 ZINC000096048750 454271721 /nfs/dbraw/zinc/27/17/21/454271721.db2.gz YFJNZGRRUHFXTM-SFHVURJKSA-N 1 1 327.453 3.162 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)o1 ZINC000096051903 454273287 /nfs/dbraw/zinc/27/32/87/454273287.db2.gz WRFYNTFPUMWZPZ-FXAWDEMLSA-N 1 1 342.439 3.433 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)o1 ZINC000096051903 454273294 /nfs/dbraw/zinc/27/32/94/454273294.db2.gz WRFYNTFPUMWZPZ-FXAWDEMLSA-N 1 1 342.439 3.433 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)o1 ZINC000096055297 454274112 /nfs/dbraw/zinc/27/41/12/454274112.db2.gz SMJXVEQPQVOAOC-YZGWKJHDSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)o1 ZINC000096055297 454274114 /nfs/dbraw/zinc/27/41/14/454274114.db2.gz SMJXVEQPQVOAOC-YZGWKJHDSA-N 1 1 342.439 3.179 40 0 EGABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Br)s1 ZINC000072227212 454274911 /nfs/dbraw/zinc/27/49/11/454274911.db2.gz DAHNTPKVQCCKJP-VXGBXAGGSA-N 1 1 341.205 3.065 40 0 EGABMO Cc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000072227271 454275663 /nfs/dbraw/zinc/27/56/63/454275663.db2.gz WMQMBOIESGTOOL-GJZGRUSLSA-N 1 1 331.213 3.173 40 0 EGABMO COc1cccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)c1 ZINC000072227795 454276739 /nfs/dbraw/zinc/27/67/39/454276739.db2.gz MGIXLOJDMLCGNH-GJZGRUSLSA-N 1 1 337.206 3.417 40 0 EGABMO Cc1cc(C[N@H+]2C[C@H]3CCC[C@@]3(COCC3CCOCC3)C2)no1 ZINC000096109202 454285690 /nfs/dbraw/zinc/28/56/90/454285690.db2.gz CSVLROUKBUZMSO-MJGOQNOKSA-N 1 1 334.460 3.028 40 0 EGABMO COc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1C ZINC000096125664 454289588 /nfs/dbraw/zinc/28/95/88/454289588.db2.gz NPCSKROGDNFYQF-UHFFFAOYSA-N 1 1 338.451 3.182 40 0 EGABMO CCOC[C@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)[N@H+]1CC1CC1 ZINC000096208002 454304600 /nfs/dbraw/zinc/30/46/00/454304600.db2.gz HZUUCYAGGBLXEM-GOSISDBHSA-N 1 1 346.471 3.165 40 0 EGABMO Cc1ccoc1C(=O)N1CCC2(CC[C@@H](COCC3CC3)[N@@H+]2C)CC1 ZINC000096208670 454305002 /nfs/dbraw/zinc/30/50/02/454305002.db2.gz OSEROHBRIKNYJP-KRWDZBQOSA-N 1 1 346.471 3.084 40 0 EGABMO Cc1ccc(N2CCC[C@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2)nn1 ZINC000096216988 454307698 /nfs/dbraw/zinc/30/76/98/454307698.db2.gz DBUNFDGAQHGFJG-HXUWFJFHSA-N 1 1 340.446 3.417 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@]3(C[C@H](Nc4cccnc4)CO3)C2)n1 ZINC000096222833 454308943 /nfs/dbraw/zinc/30/89/43/454308943.db2.gz IPUZESSZBBOFLB-PMACEKPBSA-N 1 1 338.455 3.021 40 0 EGABMO Fc1cccnc1N[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccco1)C2 ZINC000096222995 454309201 /nfs/dbraw/zinc/30/92/01/454309201.db2.gz OZDGSDVDQYQUEW-KDOFPFPSSA-N 1 1 331.391 3.049 40 0 EGABMO c1cc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)cs1 ZINC000096250032 454311663 /nfs/dbraw/zinc/31/16/63/454311663.db2.gz ZJPAPYSHJOXXQW-IPMKNSEASA-N 1 1 344.480 3.339 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)cs1 ZINC000096250032 454311669 /nfs/dbraw/zinc/31/16/69/454311669.db2.gz ZJPAPYSHJOXXQW-IPMKNSEASA-N 1 1 344.480 3.339 40 0 EGABMO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1ccsc1)CC2 ZINC000096240310 454311699 /nfs/dbraw/zinc/31/16/99/454311699.db2.gz PQTPIZNALQWNTO-INIZCTEOSA-N 1 1 336.501 3.100 40 0 EGABMO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)Nc4ccccc4)[C@@H](C2)O3)cc1 ZINC000096253385 454312867 /nfs/dbraw/zinc/31/28/67/454312867.db2.gz KKKDRBFGWOQFDY-HSALFYBXSA-N 1 1 336.435 3.223 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)Nc4ccccc4)[C@@H](C2)O3)cc1 ZINC000096253385 454312874 /nfs/dbraw/zinc/31/28/74/454312874.db2.gz KKKDRBFGWOQFDY-HSALFYBXSA-N 1 1 336.435 3.223 40 0 EGABMO O[C@@H](C[N@H+](Cc1cn2ccsc2n1)C1CC1)c1ccc(F)cc1 ZINC000096424437 454338634 /nfs/dbraw/zinc/33/86/34/454338634.db2.gz SMUGTCWERCJJKM-INIZCTEOSA-N 1 1 331.416 3.233 40 0 EGABMO O[C@@H](C[N@@H+](Cc1cn2ccsc2n1)C1CC1)c1ccc(F)cc1 ZINC000096424437 454338638 /nfs/dbraw/zinc/33/86/38/454338638.db2.gz SMUGTCWERCJJKM-INIZCTEOSA-N 1 1 331.416 3.233 40 0 EGABMO Cc1nccn1Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC000096427196 454340659 /nfs/dbraw/zinc/34/06/59/454340659.db2.gz UICMZCRIEZLHII-IBGZPJMESA-N 1 1 340.471 3.441 40 0 EGABMO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000096445691 454353149 /nfs/dbraw/zinc/35/31/49/454353149.db2.gz LPCZJHSOMZTKOV-UHFFFAOYSA-N 1 1 339.867 3.472 40 0 EGABMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000048309285 454472171 /nfs/dbraw/zinc/47/21/71/454472171.db2.gz UUXICRUWFHABRZ-ZDUSSCGKSA-N 1 1 346.862 3.254 40 0 EGABMO c1coc(-c2nnc([C@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C3)o2)c1 ZINC000049169508 454536971 /nfs/dbraw/zinc/53/69/71/454536971.db2.gz OCQBXSZQAJFGHW-ZDUSSCGKSA-N 1 1 339.351 3.048 40 0 biogenic,in-vitro EGABMO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000249840057 455778401 /nfs/dbraw/zinc/77/84/01/455778401.db2.gz WBVLCVHAYAQPDX-AAEUAGOBSA-N 1 1 343.254 3.067 40 0 EGABMO CS(=O)(=O)CCCC[N@H+]1CCC[C@H]1[C@H]1CCCc2ccccc21 ZINC000252486184 455811255 /nfs/dbraw/zinc/81/12/55/455811255.db2.gz GMYMFWXGMSIVJE-OALUTQOASA-N 1 1 335.513 3.396 40 0 EGABMO COc1cccc([C@H]2[C@@H]([NH2+]Cc3nc(C)c(C)o3)CCN2C2CC2)c1 ZINC000253392845 455838386 /nfs/dbraw/zinc/83/83/86/455838386.db2.gz GYCKVJVBGWYXBT-ICSRJNTNSA-N 1 1 341.455 3.368 40 0 EGABMO COc1cccc([C@H]2[C@@H](NCc3nc(C)c(C)o3)CC[N@@H+]2C2CC2)c1 ZINC000253392845 455838394 /nfs/dbraw/zinc/83/83/94/455838394.db2.gz GYCKVJVBGWYXBT-ICSRJNTNSA-N 1 1 341.455 3.368 40 0 EGABMO COc1cccc([C@H]2[C@@H](NCc3nc(C)c(C)o3)CC[N@H+]2C2CC2)c1 ZINC000253392845 455838399 /nfs/dbraw/zinc/83/83/99/455838399.db2.gz GYCKVJVBGWYXBT-ICSRJNTNSA-N 1 1 341.455 3.368 40 0 EGABMO CCc1[nH+]ccn1[C@@H]1CCCN([C@@H](C(=O)OC)c2ccsc2)C1 ZINC000253396840 455839597 /nfs/dbraw/zinc/83/95/97/455839597.db2.gz RKYLEWBNGAJUQG-GDBMZVCRSA-N 1 1 333.457 3.058 40 0 EGABMO C[C@@H]1CN(c2nccc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)n2)C[C@H](C)O1 ZINC000253603293 455854974 /nfs/dbraw/zinc/85/49/74/455854974.db2.gz JSRKLFWAMGIZPM-MJQMVNBJSA-N 1 1 344.503 3.245 40 0 EGABMO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2cc3cc(OC)ccc3[nH]2)n1 ZINC000257338242 455896140 /nfs/dbraw/zinc/89/61/40/455896140.db2.gz YWOSQDALMWJARC-SFHVURJKSA-N 1 1 337.427 3.345 40 0 EGABMO CNc1cncc([C@@H]2CCC[N@H+]2Cc2cc3cc(OC)ccc3[nH]2)n1 ZINC000257338242 455896146 /nfs/dbraw/zinc/89/61/46/455896146.db2.gz YWOSQDALMWJARC-SFHVURJKSA-N 1 1 337.427 3.345 40 0 EGABMO Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3c(C)nc4sccn34)C2)n1 ZINC000257338628 455896304 /nfs/dbraw/zinc/89/63/04/455896304.db2.gz YYGIHTFJUOCLIZ-AWEZNQCLSA-N 1 1 329.473 3.126 40 0 EGABMO Cc1ccc(OCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000225169822 456073798 /nfs/dbraw/zinc/07/37/98/456073798.db2.gz QFMNVURJAWBSSD-IBGZPJMESA-N 1 1 326.440 3.101 40 0 EGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](C)COc2ccccc2)cc1 ZINC000225299202 456076960 /nfs/dbraw/zinc/07/69/60/456076960.db2.gz ODJLKARIBXSJHG-INIZCTEOSA-N 1 1 349.434 3.437 40 0 EGABMO Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc[nH]3)n2)s1 ZINC000225399812 456079972 /nfs/dbraw/zinc/07/99/72/456079972.db2.gz XLBLYKAIHQWBHX-LBPRGKRZSA-N 1 1 349.847 3.088 40 0 biogenic,in-vitro EGABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000225586789 456094359 /nfs/dbraw/zinc/09/43/59/456094359.db2.gz GGRCZJZUTKJZPA-GFCCVEGCSA-N 1 1 330.350 3.441 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc2c(c1)OCO2 ZINC000225581450 456095305 /nfs/dbraw/zinc/09/53/05/456095305.db2.gz VMRUQJQJIVMAEJ-OAHLLOKOSA-N 1 1 349.500 3.356 40 0 EGABMO c1nc2n(c1-c1ccccc1)C[C@@H]1C[N@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306138267 456567143 /nfs/dbraw/zinc/56/71/43/456567143.db2.gz RTVCZACNJSGRPG-MOPGFXCFSA-N 1 1 330.435 3.249 40 0 EGABMO Cc1nc(CN2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccc(C)n2)cs1 ZINC000306135986 456568143 /nfs/dbraw/zinc/56/81/43/456568143.db2.gz PFTPJMUKBMQMGZ-QZTJIDSGSA-N 1 1 328.485 3.004 40 0 EGABMO C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](F)[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000306144662 456569160 /nfs/dbraw/zinc/56/91/60/456569160.db2.gz ZLKROWIWYVFQCQ-GRZALLJUSA-N 1 1 336.476 3.167 40 0 EGABMO Cc1nc(C[N@@H+]2CCC[C@@]3(CN(CC4CCCCC4)C3=O)C2)cs1 ZINC000585099583 459823322 /nfs/dbraw/zinc/82/33/22/459823322.db2.gz RLZMZCYKMBYWHT-IBGZPJMESA-N 1 1 347.528 3.456 40 0 EGABMO Cc1nc(C[N@H+]2CCC[C@@]3(CN(CC4CCCCC4)C3=O)C2)cs1 ZINC000585099583 459823325 /nfs/dbraw/zinc/82/33/25/459823325.db2.gz RLZMZCYKMBYWHT-IBGZPJMESA-N 1 1 347.528 3.456 40 0 EGABMO C[C@@H](c1ccccc1)[N@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099669 459823411 /nfs/dbraw/zinc/82/34/11/459823411.db2.gz WATWQQIJTNYWIC-KXBFYZLASA-N 1 1 341.480 3.329 40 0 EGABMO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCC[N@@H+]2Cc2ccccn2)n1 ZINC000585178868 459831087 /nfs/dbraw/zinc/83/10/87/459831087.db2.gz WDXZJGKUGDPRKN-GOSISDBHSA-N 1 1 334.427 3.297 40 0 EGABMO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCC[N@H+]2Cc2ccccn2)n1 ZINC000585178868 459831092 /nfs/dbraw/zinc/83/10/92/459831092.db2.gz WDXZJGKUGDPRKN-GOSISDBHSA-N 1 1 334.427 3.297 40 0 EGABMO CC(=O)N[C@H]1CCC[N@@H+](Cc2ncccc2C)[C@H]1Cc1ccccc1 ZINC000585268901 459832370 /nfs/dbraw/zinc/83/23/70/459832370.db2.gz CZSREKQWYJKKFU-FPOVZHCZSA-N 1 1 337.467 3.102 40 0 EGABMO CCOCCOc1ccc(C[N@@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000585269622 459832651 /nfs/dbraw/zinc/83/26/51/459832651.db2.gz CNBIIDWSNSSUHO-HXUWFJFHSA-N 1 1 329.440 3.267 40 0 EGABMO CCCC(CCC)[N@H+]1CCOC[C@@](O)(COc2cccc(C)c2)C1 ZINC000585288116 459833870 /nfs/dbraw/zinc/83/38/70/459833870.db2.gz WOGDQMVGDMHTMW-HXUWFJFHSA-N 1 1 335.488 3.406 40 0 EGABMO CC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1cc3ccccc3o1)CCO2 ZINC000306125564 547459933 /nfs/dbraw/zinc/45/99/33/547459933.db2.gz CUAXIOAGDQJIFP-WOJBJXKFSA-N 1 1 342.439 3.083 40 0 EGABMO CC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1cc3ccccc3o1)CCO2 ZINC000306125564 547459936 /nfs/dbraw/zinc/45/99/36/547459936.db2.gz CUAXIOAGDQJIFP-WOJBJXKFSA-N 1 1 342.439 3.083 40 0 EGABMO CC[C@@H]1CN(CCn2cccn2)CC[N@H+]1C/C(C)=C/c1ccccc1 ZINC000678250402 549443662 /nfs/dbraw/zinc/44/36/62/549443662.db2.gz BMRRZDFLHCCNHB-WEIUTZTHSA-N 1 1 338.499 3.383 40 0 EGABMO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1C/C(C)=C/c1ccccc1 ZINC000678250402 549443664 /nfs/dbraw/zinc/44/36/64/549443664.db2.gz BMRRZDFLHCCNHB-WEIUTZTHSA-N 1 1 338.499 3.383 40 0 EGABMO CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1C/C(C)=C/c1ccccc1 ZINC000678250402 549443667 /nfs/dbraw/zinc/44/36/67/549443667.db2.gz BMRRZDFLHCCNHB-WEIUTZTHSA-N 1 1 338.499 3.383 40 0 EGABMO O[C@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)C1 ZINC000049609543 214022280 /nfs/dbraw/zinc/02/22/80/214022280.db2.gz KWEIHEXHQOGGOY-ICSRJNTNSA-N 1 1 343.398 3.390 40 0 EGABMO O[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)C1 ZINC000049609543 214022283 /nfs/dbraw/zinc/02/22/83/214022283.db2.gz KWEIHEXHQOGGOY-ICSRJNTNSA-N 1 1 343.398 3.390 40 0 EGABMO C[N@H+](Cc1ccc(F)cc1)C[C@H](O)COCc1ccccc1Cl ZINC000068045959 215271867 /nfs/dbraw/zinc/27/18/67/215271867.db2.gz WEGQYKZIDMHISK-KRWDZBQOSA-N 1 1 337.822 3.489 40 0 EGABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cccn1C ZINC000036740333 213114454 /nfs/dbraw/zinc/11/44/54/213114454.db2.gz BPIBFSLOCMJVGV-UHFFFAOYSA-N 1 1 338.455 3.323 40 0 EGABMO Cc1cc(NC(=O)CCc2cc(C)nc([C@H]3CCC[N@@H+]3C)c2)no1 ZINC000072360549 216167668 /nfs/dbraw/zinc/16/76/68/216167668.db2.gz JVBSCYVVGXSQML-MRXNPFEDSA-N 1 1 328.416 3.024 40 0 EGABMO CNc1ncccc1C[N@H+]1CCC[C@H]1c1cccc(-n2ccnc2C)n1 ZINC000072355634 216163966 /nfs/dbraw/zinc/16/39/66/216163966.db2.gz VCBBTXIYMKUZHF-SFHVURJKSA-N 1 1 348.454 3.350 40 0 EGABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(c3nc(C)cc(C)n3)C2)n1 ZINC000072369172 216175958 /nfs/dbraw/zinc/17/59/58/216175958.db2.gz JGFLFCDVZYNXAP-KRWDZBQOSA-N 1 1 348.454 3.367 40 0 EGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1cnc(C)n1C ZINC000022913596 212332857 /nfs/dbraw/zinc/33/28/57/212332857.db2.gz LMWNYAWYCYVLJM-MRXNPFEDSA-N 1 1 332.517 3.277 40 0 EGABMO O=C(COc1cc[nH+]c2c1CCCC2)NCc1ccccc1Cl ZINC000207011979 241060779 /nfs/dbraw/zinc/06/07/79/241060779.db2.gz HJUKNGNPUOVXQD-UHFFFAOYSA-N 1 1 330.815 3.309 40 0 EGABMO CCn1nc(C)c2nc(C(C)C)nc(NCCCn3cc[nH+]c3C)c21 ZINC000226688422 242109340 /nfs/dbraw/zinc/10/93/40/242109340.db2.gz QXSQTWAFZMXBAV-UHFFFAOYSA-N 1 1 341.463 3.285 40 0 EGABMO C[C@H]1CN(C(=O)Nc2ccc(C3CCC3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000253433589 243992440 /nfs/dbraw/zinc/99/24/40/243992440.db2.gz YYIXGVCVMZXCCP-KXBFYZLASA-N 1 1 343.471 3.139 40 0 EGABMO Cn1cncc1C[N@H+]1CCC[C@@H](c2ccnc(Nc3ccccn3)c2)C1 ZINC000257206759 244135721 /nfs/dbraw/zinc/13/57/21/244135721.db2.gz BEUQNPJOSHKPIK-QGZVFWFLSA-N 1 1 348.454 3.333 40 0 EGABMO c1ccc(CO[C@H]2C[N@@H+](Cc3ccccn3)CC[C@@]23CCCO3)cc1 ZINC000257225119 244198346 /nfs/dbraw/zinc/19/83/46/244198346.db2.gz FEXIFRKRXFJZPL-SFTDATJTSA-N 1 1 338.451 3.422 40 0 EGABMO Cn1c(C[N@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)nc2ccccc21 ZINC000257250219 244267879 /nfs/dbraw/zinc/26/78/79/244267879.db2.gz JLOULRBRNIERKX-HNNXBMFYSA-N 1 1 346.438 3.224 40 0 EGABMO CCCn1ccnc1C[N@H+]1C[C@@H]2[C@H](Oc3cccnc3C)CC[C@@H]2C1 ZINC000257278174 244399511 /nfs/dbraw/zinc/39/95/11/244399511.db2.gz OBDJNCPYAACXRC-ZIFCJYIRSA-N 1 1 340.471 3.286 40 0 EGABMO CCCn1ccnc1C[N@@H+]1C[C@@H]2[C@H](Oc3cccnc3C)CC[C@@H]2C1 ZINC000257278174 244399514 /nfs/dbraw/zinc/39/95/14/244399514.db2.gz OBDJNCPYAACXRC-ZIFCJYIRSA-N 1 1 340.471 3.286 40 0 EGABMO O=C(Cn1cccn1)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000019656458 212053002 /nfs/dbraw/zinc/05/30/02/212053002.db2.gz TXJBEIDQLGBUMC-UHFFFAOYSA-N 1 1 332.407 3.038 40 0 EGABMO O=C(Cn1cccn1)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000019656458 212053004 /nfs/dbraw/zinc/05/30/04/212053004.db2.gz TXJBEIDQLGBUMC-UHFFFAOYSA-N 1 1 332.407 3.038 40 0 EGABMO CN1CC[N@@H+](CC2CC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019589487 212049498 /nfs/dbraw/zinc/04/94/98/212049498.db2.gz SGJNVLLRZRUWMK-OAQYLSRUSA-N 1 1 349.478 3.091 40 0 EGABMO CCCn1ncc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2CCSC)c1C ZINC000019525959 212037885 /nfs/dbraw/zinc/03/78/85/212037885.db2.gz JGPRZYUHPUAYDD-ZWKOTPCHSA-N 1 1 336.549 3.003 40 0 EGABMO Fc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1F ZINC000019340973 212018131 /nfs/dbraw/zinc/01/81/31/212018131.db2.gz MUJSLXBKECCLSA-CQSZACIVSA-N 1 1 342.349 3.399 40 0 EGABMO Cn1nc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)c2nccnc21 ZINC000019289388 212011663 /nfs/dbraw/zinc/01/16/63/212011663.db2.gz NGWSPPBADLPJNP-CYBMUJFWSA-N 1 1 343.381 3.021 40 0 EGABMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)/C=C/C(C)(C)C)CC1 ZINC000079309538 217206917 /nfs/dbraw/zinc/20/69/17/217206917.db2.gz AVWFGVHVWSAIQB-ZHACJKMWSA-N 1 1 343.471 3.005 40 0 EGABMO COc1ccc([C@@H]2[C@H](CNC(=O)c3ccoc3)CCC[N@H+]2C)cc1 ZINC000110595899 220046482 /nfs/dbraw/zinc/04/64/82/220046482.db2.gz KHUKBMRDWWBWLO-MAUKXSAKSA-N 1 1 328.412 3.101 40 0 EGABMO O[C@@H]1C[C@@H](C2CCCCC2)[N@@H+](Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000110645464 220051190 /nfs/dbraw/zinc/05/11/90/220051190.db2.gz QVUWMUQYNWYQRJ-SJORKVTESA-N 1 1 345.418 3.391 40 0 EGABMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@@H](CO)C1 ZINC000110691348 220056771 /nfs/dbraw/zinc/05/67/71/220056771.db2.gz QQCQLJWBIRIREL-NXEZZACHSA-N 1 1 342.226 3.419 40 0 EGABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1cccc(F)c1F)C2 ZINC000012135002 211301026 /nfs/dbraw/zinc/30/10/26/211301026.db2.gz LXQUQNFLHOOQRU-XEWABKELSA-N 1 1 344.405 3.480 40 0 EGABMO CCn1cncc1C[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000012147105 211305891 /nfs/dbraw/zinc/30/58/91/211305891.db2.gz SOGRHLZSWTVBNQ-LJQANCHMSA-N 1 1 329.444 3.093 40 0 EGABMO CCn1cncc1C[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000012147105 211305893 /nfs/dbraw/zinc/30/58/93/211305893.db2.gz SOGRHLZSWTVBNQ-LJQANCHMSA-N 1 1 329.444 3.093 40 0 EGABMO Cc1cccc(N2CCC(NC(=O)N3CCC[C@@H]4CCC[C@H]43)CC2)[nH+]1 ZINC000096440387 218821027 /nfs/dbraw/zinc/82/10/27/218821027.db2.gz WLZVPXNYUMVEEN-FUHWJXTLSA-N 1 1 342.487 3.333 40 0 EGABMO c1csc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccoc4)C2)OC3)c1 ZINC000306142707 257925757 /nfs/dbraw/zinc/92/57/57/257925757.db2.gz XGXZIHRSYXAMFW-SFHVURJKSA-N 1 1 341.436 3.380 40 0 EGABMO FC(F)(F)c1ccc(CN2CCC[N@@H+](C[C@@H]3CCOC3)CC2)cc1 ZINC000330033285 258002270 /nfs/dbraw/zinc/00/22/70/258002270.db2.gz YQPPKPJTNYWJCP-INIZCTEOSA-N 1 1 342.405 3.250 40 0 EGABMO CCC[N@@H+](Cc1ccccc1)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000016350843 276256238 /nfs/dbraw/zinc/25/62/38/276256238.db2.gz UCIWTOXYDBJSSM-UHFFFAOYSA-N 1 1 343.471 3.357 40 0 EGABMO CCC[N@H+](Cc1ccccc1)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000016350843 276256239 /nfs/dbraw/zinc/25/62/39/276256239.db2.gz UCIWTOXYDBJSSM-UHFFFAOYSA-N 1 1 343.471 3.357 40 0 EGABMO CC(C)(C)n1ncnc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000253392401 277291213 /nfs/dbraw/zinc/29/12/13/277291213.db2.gz SVMWKCIUZXUFLZ-CVEARBPZSA-N 1 1 346.475 3.494 40 0 EGABMO CC(C)(C)n1ncnc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000253392401 277291214 /nfs/dbraw/zinc/29/12/14/277291214.db2.gz SVMWKCIUZXUFLZ-CVEARBPZSA-N 1 1 346.475 3.494 40 0 EGABMO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cn(C)nc3C3CCCCC3)[C@H]2C1 ZINC000097372994 323215603 /nfs/dbraw/zinc/21/56/03/323215603.db2.gz CMVOLGWXUAMPKQ-CEXWTWQISA-N 1 1 347.503 3.236 40 0 EGABMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cn(C)nc3C3CCCCC3)[C@H]2C1 ZINC000097372994 323215607 /nfs/dbraw/zinc/21/56/07/323215607.db2.gz CMVOLGWXUAMPKQ-CEXWTWQISA-N 1 1 347.503 3.236 40 0 EGABMO CCC1(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCOCC1 ZINC000240786138 455265656 /nfs/dbraw/zinc/26/56/56/455265656.db2.gz IAUYWAGXHZJYCD-UHFFFAOYSA-N 1 1 348.462 3.067 40 0 EGABMO CCC1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCOCC1 ZINC000240786138 455265659 /nfs/dbraw/zinc/26/56/59/455265659.db2.gz IAUYWAGXHZJYCD-UHFFFAOYSA-N 1 1 348.462 3.067 40 0 EGABMO COc1ccc2c(c1OC)-c1c3c(cc4c1[C@H](C2)[N@H+](C)CC4)OCO3 ZINC000005599937 452887255 /nfs/dbraw/zinc/88/72/55/452887255.db2.gz GDVPELGSXTWKDA-ZDUSSCGKSA-N 1 1 339.391 3.185 40 0 EGABMO COc1ccc2c(c1OC)-c1c3c(cc4c1[C@H](C2)[N@@H+](C)CC4)OCO3 ZINC000005599937 452887261 /nfs/dbraw/zinc/88/72/61/452887261.db2.gz GDVPELGSXTWKDA-ZDUSSCGKSA-N 1 1 339.391 3.185 40 0 EGABMO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000012992980 453434135 /nfs/dbraw/zinc/43/41/35/453434135.db2.gz GNEGHIXGBRKPAP-UHFFFAOYSA-N 1 1 338.451 3.066 40 0 EGABMO C[NH2+]CCCNCc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000016349310 453602128 /nfs/dbraw/zinc/60/21/28/453602128.db2.gz LEZNFJKEGLFLSL-UHFFFAOYSA-N 1 1 328.456 3.282 40 0 EGABMO CC[N@@H+](C)[C@@H]1CN(C(=O)Cc2c(C)noc2C)C2(C1)CCCCC2 ZINC000019704844 453658847 /nfs/dbraw/zinc/65/88/47/453658847.db2.gz HVQJFNRZMNOEGT-INIZCTEOSA-N 1 1 333.476 3.089 40 0 EGABMO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cncn2C)s1 ZINC000043277894 454052920 /nfs/dbraw/zinc/05/29/20/454052920.db2.gz OZWRPODPRSMGQH-UHFFFAOYSA-N 1 1 329.473 3.079 40 0 EGABMO OCC[N@@H+](Cc1cccnc1)Cc1ccnc2ccc(Cl)cc12 ZINC000057796973 454147179 /nfs/dbraw/zinc/14/71/79/454147179.db2.gz YPFFZLQOVPWPRY-UHFFFAOYSA-N 1 1 327.815 3.278 40 0 EGABMO CC(C)CNC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089840225 454214156 /nfs/dbraw/zinc/21/41/56/454214156.db2.gz BBGBYZXSXPHFRV-HNNXBMFYSA-N 1 1 325.456 3.418 40 0 EGABMO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089840225 454214159 /nfs/dbraw/zinc/21/41/59/454214159.db2.gz BBGBYZXSXPHFRV-HNNXBMFYSA-N 1 1 325.456 3.418 40 0 EGABMO Cc1csc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)n1 ZINC000096039917 454266895 /nfs/dbraw/zinc/26/68/95/454266895.db2.gz IVNQIJBEZJPDBE-FUHWJXTLSA-N 1 1 336.501 3.249 40 0 EGABMO Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2=O)c1 ZINC000096050578 454272438 /nfs/dbraw/zinc/27/24/38/454272438.db2.gz DNXQCBLDYYXZMZ-OAQYLSRUSA-N 1 1 335.451 3.015 40 0 EGABMO FC1(F)CC[N@@H+](Cc2cccnc2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096051158 454272536 /nfs/dbraw/zinc/27/25/36/454272536.db2.gz FLJQMBPRQVQEOG-GOSISDBHSA-N 1 1 344.409 3.214 40 0 EGABMO Cc1nc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cs1 ZINC000096050726 454272861 /nfs/dbraw/zinc/27/28/61/454272861.db2.gz XDTFCHOIAWSZFZ-GOSISDBHSA-N 1 1 345.443 3.220 40 0 EGABMO Cc1nc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cs1 ZINC000096050726 454272862 /nfs/dbraw/zinc/27/28/62/454272862.db2.gz XDTFCHOIAWSZFZ-GOSISDBHSA-N 1 1 345.443 3.220 40 0 EGABMO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccsc2)cs1 ZINC000096056575 454274318 /nfs/dbraw/zinc/27/43/18/454274318.db2.gz CTKHSQNYGWIILR-HZPDHXFCSA-N 1 1 347.509 3.279 40 0 EGABMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2c[nH+]c(N)cc2C)cc1 ZINC000072218538 454274895 /nfs/dbraw/zinc/27/48/95/454274895.db2.gz MSPVGRMXIVVNKG-QGZVFWFLSA-N 1 1 345.468 3.197 40 0 EGABMO Fc1cccc(O[C@H]2C[C@H]3CN(Cc4cccs4)CC[N@H+]3C2)c1 ZINC000096055135 454275127 /nfs/dbraw/zinc/27/51/27/454275127.db2.gz DMCBCGNLDSUMOU-RDJZCZTQSA-N 1 1 332.444 3.225 40 0 EGABMO Fc1cccc(O[C@H]2C[C@H]3C[N@H+](Cc4cccs4)CCN3C2)c1 ZINC000096055135 454275131 /nfs/dbraw/zinc/27/51/31/454275131.db2.gz DMCBCGNLDSUMOU-RDJZCZTQSA-N 1 1 332.444 3.225 40 0 EGABMO Fc1cccc(O[C@H]2C[C@H]3C[N@@H+](Cc4cccs4)CCN3C2)c1 ZINC000096055135 454275139 /nfs/dbraw/zinc/27/51/39/454275139.db2.gz DMCBCGNLDSUMOU-RDJZCZTQSA-N 1 1 332.444 3.225 40 0 EGABMO [NH3+][C@@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Br)cc1 ZINC000072227622 454275653 /nfs/dbraw/zinc/27/56/53/454275653.db2.gz ZAGMJNQAJBQSOX-UONOGXRCSA-N 1 1 335.176 3.003 40 0 EGABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000072227780 454276830 /nfs/dbraw/zinc/27/68/30/454276830.db2.gz CJJZHUWIUZMGDX-HUUCEWRRSA-N 1 1 337.206 3.417 40 0 EGABMO Cc1nc(C[N@H+]2CCCC23CCN(c2cccnc2)CC3)cs1 ZINC000096075303 454279806 /nfs/dbraw/zinc/27/98/06/454279806.db2.gz LBVOODLIBPAXFN-UHFFFAOYSA-N 1 1 328.485 3.482 40 0 EGABMO O=C1N(c2cccnc2)CC[C@@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096074035 454279925 /nfs/dbraw/zinc/27/99/25/454279925.db2.gz JHRAGYGRNBWUOI-GOSISDBHSA-N 1 1 327.453 3.162 40 0 EGABMO O=C(c1ccsc1)N1CC[C@@]2(CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000096076095 454280104 /nfs/dbraw/zinc/28/01/04/454280104.db2.gz FGESYARHZDZZQJ-GOSISDBHSA-N 1 1 330.428 3.378 40 0 EGABMO O=C(c1ccsc1)N1CC[C@@]2(CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000096076095 454280107 /nfs/dbraw/zinc/28/01/07/454280107.db2.gz FGESYARHZDZZQJ-GOSISDBHSA-N 1 1 330.428 3.378 40 0 EGABMO O=C(c1ccsc1)N1CC[C@]2(CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000096076096 454280280 /nfs/dbraw/zinc/28/02/80/454280280.db2.gz FGESYARHZDZZQJ-SFHVURJKSA-N 1 1 330.428 3.378 40 0 EGABMO O=C(c1ccsc1)N1CC[C@]2(CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000096076096 454280283 /nfs/dbraw/zinc/28/02/83/454280283.db2.gz FGESYARHZDZZQJ-SFHVURJKSA-N 1 1 330.428 3.378 40 0 EGABMO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096100324 454282693 /nfs/dbraw/zinc/28/26/93/454282693.db2.gz HKNKRDKLEXCDCA-IBGZPJMESA-N 1 1 339.464 3.043 40 0 EGABMO CC1(C)C[C@H](Nc2ccc(CC(N)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000090170396 454290089 /nfs/dbraw/zinc/29/00/89/454290089.db2.gz LESHVYKCKZEZHU-IBGZPJMESA-N 1 1 337.467 3.179 40 0 EGABMO c1[nH+]c([C@@H]2CN(Cc3ccncc3)CCO2)c2cccc(C3CC3)n12 ZINC000096155860 454294042 /nfs/dbraw/zinc/29/40/42/454294042.db2.gz WJMHSDHPAQCYDH-IBGZPJMESA-N 1 1 334.423 3.180 40 0 EGABMO Cc1nc(COC[C@@H]2CC[C@H]3[C@H](CC[N@H+]3CC3CCC3)O2)cs1 ZINC000096186144 454300251 /nfs/dbraw/zinc/30/02/51/454300251.db2.gz WJIPNEXLARRKTI-BZSNNMDCSA-N 1 1 336.501 3.390 40 0 EGABMO COc1ccc(C[N@H+]2CCc3ncnc(-c4cccnc4)c3CC2)cc1 ZINC000096187604 454300281 /nfs/dbraw/zinc/30/02/81/454300281.db2.gz MBAWJKKBGFNRSM-UHFFFAOYSA-N 1 1 346.434 3.148 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)co1 ZINC000096208143 454304359 /nfs/dbraw/zinc/30/43/59/454304359.db2.gz CPRJWJKJCJQGBC-MJGOQNOKSA-N 1 1 327.428 3.158 40 0 EGABMO c1ccc(CC[N@H+]2CC[C@]3(C2)C[C@@H](Nc2ccccn2)CCO3)cc1 ZINC000096206572 454304387 /nfs/dbraw/zinc/30/43/87/454304387.db2.gz QBAZLPMSPIWKNQ-PZJWPPBQSA-N 1 1 337.467 3.360 40 0 EGABMO Fc1ccc(-c2ncnc3c2CC[N@H+](Cc2nccs2)CC3)cc1 ZINC000096255274 454312562 /nfs/dbraw/zinc/31/25/62/454312562.db2.gz KHADIURMJCUCEL-UHFFFAOYSA-N 1 1 340.427 3.340 40 0 EGABMO Fc1ccc(-c2ncnc3c2CC[N@@H+](Cc2nccs2)CC3)cc1 ZINC000096255274 454312568 /nfs/dbraw/zinc/31/25/68/454312568.db2.gz KHADIURMJCUCEL-UHFFFAOYSA-N 1 1 340.427 3.340 40 0 EGABMO C[C@H](NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000096421382 454336921 /nfs/dbraw/zinc/33/69/21/454336921.db2.gz JYVBIANUDPQQSD-CTNYNGJSSA-N 1 1 349.425 3.152 40 0 EGABMO Cc1[nH+]ccn1CCCCNC(=O)NC1CC(c2ccccc2)C1 ZINC000096439816 454349840 /nfs/dbraw/zinc/34/98/40/454349840.db2.gz SQAULNSSEWMGGI-UHFFFAOYSA-N 1 1 326.444 3.217 40 0 EGABMO COc1ccc2cc([C@@H](C)[N@H+]3CCCN(C(C)=O)CC3)ccc2c1 ZINC000096443260 454350995 /nfs/dbraw/zinc/35/09/95/454350995.db2.gz OKUHUFXXVRXYKL-OAHLLOKOSA-N 1 1 326.440 3.464 40 0 EGABMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)n1C ZINC000096441179 454351017 /nfs/dbraw/zinc/35/10/17/454351017.db2.gz YSGRKJFYMWSYFT-LJQANCHMSA-N 1 1 339.483 3.318 40 0 EGABMO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C)c1ncc(C(C)(C)C)o1)CC2 ZINC000096447051 454354044 /nfs/dbraw/zinc/35/40/44/454354044.db2.gz LSVFZPRTOAOCCZ-SOUVJXGZSA-N 1 1 336.476 3.285 40 0 EGABMO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)NC(=O)Nc1ccccc1 ZINC000048368266 454481436 /nfs/dbraw/zinc/48/14/36/454481436.db2.gz WDEDKFMCVIBFIW-OAHLLOKOSA-N 1 1 329.425 3.233 40 0 EGABMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)NC(=O)Nc1ccccc1 ZINC000048368266 454481441 /nfs/dbraw/zinc/48/14/41/454481441.db2.gz WDEDKFMCVIBFIW-OAHLLOKOSA-N 1 1 329.425 3.233 40 0 EGABMO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000107249345 454748190 /nfs/dbraw/zinc/74/81/90/454748190.db2.gz AFNXCDIAIYIGBI-PKOBYXMFSA-N 1 1 340.854 3.225 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2C=CCC2)C[C@H](C)O1 ZINC000109037360 454820369 /nfs/dbraw/zinc/82/03/69/454820369.db2.gz JWTXGYMGENZXQG-FGTMMUONSA-N 1 1 342.483 3.268 40 0 EGABMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2C=CCC2)C[C@H](C)O1 ZINC000109037360 454820372 /nfs/dbraw/zinc/82/03/72/454820372.db2.gz JWTXGYMGENZXQG-FGTMMUONSA-N 1 1 342.483 3.268 40 0 EGABMO Cc1c([C@@H](C)[NH2+][C@H](C)c2nccn2C)cnn1-c1ccc(F)cc1 ZINC000182671681 455565520 /nfs/dbraw/zinc/56/55/20/455565520.db2.gz BJKIWNCTJVCHQA-CHWSQXEVSA-N 1 1 327.407 3.465 40 0 EGABMO c1csc(C[N@H+]2CCO[C@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000247905453 455653272 /nfs/dbraw/zinc/65/32/72/455653272.db2.gz WZXVJEOOMLPWFT-WDSOQIARSA-N 1 1 344.480 3.339 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000247905453 455653279 /nfs/dbraw/zinc/65/32/79/455653279.db2.gz WZXVJEOOMLPWFT-WDSOQIARSA-N 1 1 344.480 3.339 40 0 EGABMO c1cc2n(n1)C[C@@H](CNc1ccccn1)C[N@H+](Cc1ccccc1)C2 ZINC000248133476 455686050 /nfs/dbraw/zinc/68/60/50/455686050.db2.gz YGJIZHVVHQRZGF-SFHVURJKSA-N 1 1 333.439 3.022 40 0 EGABMO C[N@H+]1CCc2c(cccc2NC(=O)c2ncccc2Br)C1 ZINC000252490081 455811983 /nfs/dbraw/zinc/81/19/83/455811983.db2.gz KIQPPFCCEZTOIJ-UHFFFAOYSA-N 1 1 346.228 3.084 40 0 EGABMO Cc1nnc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)o1 ZINC000253392690 455838332 /nfs/dbraw/zinc/83/83/32/455838332.db2.gz UCGOLJLZUKEFKF-VQTJNVASSA-N 1 1 348.450 3.136 40 0 EGABMO CCOC(=O)c1csc(C2CCN(c3cccc(C)[nH+]3)CC2)n1 ZINC000253432228 455849073 /nfs/dbraw/zinc/84/90/73/455849073.db2.gz JKKIYJMXHCLVCT-UHFFFAOYSA-N 1 1 331.441 3.407 40 0 EGABMO CO[C@H]1C[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)CC[C@]12CCCO2 ZINC000257237151 455879854 /nfs/dbraw/zinc/87/98/54/455879854.db2.gz HFISYHIYSSTHRW-AZUAARDMSA-N 1 1 346.471 3.018 40 0 EGABMO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(C(C)C)cc2)CC[C@]12CCCO2 ZINC000257237151 455879862 /nfs/dbraw/zinc/87/98/62/455879862.db2.gz HFISYHIYSSTHRW-AZUAARDMSA-N 1 1 346.471 3.018 40 0 EGABMO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@@H+](Cc3ccncc3)C2)ncn1 ZINC000257288688 455884342 /nfs/dbraw/zinc/88/43/42/455884342.db2.gz PVEIBDWQRQJGBS-QGZVFWFLSA-N 1 1 349.438 3.208 40 0 EGABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000257299532 455886475 /nfs/dbraw/zinc/88/64/75/455886475.db2.gz RQKZJOOOIFAFKE-OAQYLSRUSA-N 1 1 337.467 3.487 40 0 EGABMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000195562029 455985490 /nfs/dbraw/zinc/98/54/90/455985490.db2.gz CFERQOTZURSPBJ-WMLDXEAASA-N 1 1 337.423 3.265 40 0 EGABMO Cc1cccc(N2CCC(C(=O)N(C)Cc3ccsc3)CC2)[nH+]1 ZINC000225393850 456079840 /nfs/dbraw/zinc/07/98/40/456079840.db2.gz WYADVUASDPFTTL-UHFFFAOYSA-N 1 1 329.469 3.327 40 0 EGABMO Cc1nc2c(c(N3CCC(Oc4cc[nH+]cc4C)CC3)n1)CCCC2 ZINC000333347453 456204464 /nfs/dbraw/zinc/20/44/64/456204464.db2.gz VAPWUIHNAQIBRI-UHFFFAOYSA-N 1 1 338.455 3.415 40 0 EGABMO c1cc(C[N@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)co1 ZINC000306138325 456568118 /nfs/dbraw/zinc/56/81/18/456568118.db2.gz RUWBVOBHKUCRTA-SFHVURJKSA-N 1 1 345.406 3.374 40 0 EGABMO Cc1cc(NC(=O)CC[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)no1 ZINC000329084022 456830885 /nfs/dbraw/zinc/83/08/85/456830885.db2.gz SZFUSWQLGQVIBL-KSZLIROESA-N 1 1 339.439 3.002 40 0 EGABMO Cn1nccc1-c1csc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000585090710 459822198 /nfs/dbraw/zinc/82/21/98/459822198.db2.gz XNQQWOQQWOAQTC-QGZVFWFLSA-N 1 1 340.452 3.117 40 0 EGABMO Cn1nccc1-c1csc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000585090710 459822201 /nfs/dbraw/zinc/82/22/01/459822201.db2.gz XNQQWOQQWOAQTC-QGZVFWFLSA-N 1 1 340.452 3.117 40 0 EGABMO Fc1cccc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)c1 ZINC000585103898 459824389 /nfs/dbraw/zinc/82/43/89/459824389.db2.gz DNMPVHJVBUBHSE-SFHVURJKSA-N 1 1 344.455 3.497 40 0 EGABMO c1cc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)cs1 ZINC000585104704 459825171 /nfs/dbraw/zinc/82/51/71/459825171.db2.gz LFYKPZPRVUKAOL-INIZCTEOSA-N 1 1 339.526 3.251 40 0 EGABMO c1cc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)cs1 ZINC000585105508 459825316 /nfs/dbraw/zinc/82/53/16/459825316.db2.gz YPCFTZVWEQZBBF-INIZCTEOSA-N 1 1 332.494 3.420 40 0 EGABMO Cc1cccc(OC[C@@]2(O)COCC[N@H+](C3CCCCCC3)C2)c1 ZINC000585276017 459832181 /nfs/dbraw/zinc/83/21/81/459832181.db2.gz LBJXFTZCJLAOLJ-FQEVSTJZSA-N 1 1 333.472 3.160 40 0 EGABMO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@H+](C3CCCCC3)CC[C@@H]2O)c1 ZINC000585288225 459833805 /nfs/dbraw/zinc/83/38/05/459833805.db2.gz YTVSKXHZNSJYEF-SFTDATJTSA-N 1 1 347.499 3.121 40 0 EGABMO C[N@H+]1CCCC[C@@H](CNC(=O)NCc2ccc(C3CC3)cc2F)C1 ZINC000624099290 460859430 /nfs/dbraw/zinc/85/94/30/460859430.db2.gz KZEKEECCQAQNNC-AWEZNQCLSA-N 1 1 333.451 3.234 40 0 EGABMO CCOc1cc2c(cc1C[NH2+][C@H](C)c1nccnc1C)O[C@@H](C)C2 ZINC000187709125 528342324 /nfs/dbraw/zinc/34/23/24/528342324.db2.gz AQKLROLCJXWWNY-GXTWGEPZSA-N 1 1 327.428 3.358 40 0 EGABMO CC[C@H](C)[NH2+]C1=C2C=C([C@@H]3COc4ccccc4O3)S[C@H]2N=CN1 ZINC000225742347 1296137198 /nfs/dbraw/zinc/13/71/98/1296137198.db2.gz PPXWTWAXMMMNJH-NZRMSGFPSA-N 1 1 343.452 3.228 40 0 EGABMO O=C1N[C@]2(C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Nc2ccccc21 ZINC000100208127 219094433 /nfs/dbraw/zinc/09/44/33/219094433.db2.gz GCDQDEGRKPDDRC-LFUKPOHLSA-N 1 1 333.435 3.365 40 0 EGABMO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000040159643 213276309 /nfs/dbraw/zinc/27/63/09/213276309.db2.gz LTJRGSLSFSRUNK-IUODEOHRSA-N 1 1 336.819 3.119 40 0 EGABMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038832951 213226586 /nfs/dbraw/zinc/22/65/86/213226586.db2.gz MNWQSRWGKHYJHJ-LJQANCHMSA-N 1 1 340.442 3.397 40 0 EGABMO COc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000072389918 216189544 /nfs/dbraw/zinc/18/95/44/216189544.db2.gz KPBUCCPPRRGKAB-MRXNPFEDSA-N 1 1 336.395 3.130 40 0 EGABMO CC[C@@H]1C[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CCS1 ZINC000072861792 216320337 /nfs/dbraw/zinc/32/03/37/216320337.db2.gz SGCJGFYIWPBSAY-OAHLLOKOSA-N 1 1 347.509 3.236 40 0 EGABMO CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CCS1 ZINC000072861792 216320340 /nfs/dbraw/zinc/32/03/40/216320340.db2.gz SGCJGFYIWPBSAY-OAHLLOKOSA-N 1 1 347.509 3.236 40 0 EGABMO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Br)o1)c1ccccc1 ZINC000191464644 239127916 /nfs/dbraw/zinc/12/79/16/239127916.db2.gz WDOBFLMDKUFXHI-ORAYPTAESA-N 1 1 342.258 3.252 40 0 EGABMO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000023701361 212391248 /nfs/dbraw/zinc/39/12/48/212391248.db2.gz ZXCDWZNEMRNRJY-UHFFFAOYSA-N 1 1 338.451 3.066 40 0 EGABMO C[N@@H+]1C[C@H](c2cccs2)[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000227150485 242120924 /nfs/dbraw/zinc/12/09/24/242120924.db2.gz FVTHARXFFOEOLI-WFASDCNBSA-N 1 1 333.432 3.354 40 0 EGABMO O=S1(=O)CC[C@@H](C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)C1 ZINC000242140886 243010950 /nfs/dbraw/zinc/01/09/50/243010950.db2.gz WQCQHIBYDKKFMX-KSSFIOAISA-N 1 1 332.469 3.130 40 0 EGABMO O=S1(=O)CC[C@@H](C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)C1 ZINC000242140886 243010953 /nfs/dbraw/zinc/01/09/53/243010953.db2.gz WQCQHIBYDKKFMX-KSSFIOAISA-N 1 1 332.469 3.130 40 0 EGABMO C[N@@H+]1CC[C@H](CNC(=O)c2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245343818 243104069 /nfs/dbraw/zinc/10/40/69/243104069.db2.gz VVDGXOFOBHDJBH-CXAGYDPISA-N 1 1 347.821 3.297 40 0 EGABMO C[N@H+]1CC[C@H](CNC(=O)c2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245343818 243104073 /nfs/dbraw/zinc/10/40/73/243104073.db2.gz VVDGXOFOBHDJBH-CXAGYDPISA-N 1 1 347.821 3.297 40 0 EGABMO c1cnc2ccc(C[N@H+]3CCC4(CC(Nc5ccncn5)C4)C3)cc2c1 ZINC000257203048 244124902 /nfs/dbraw/zinc/12/49/02/244124902.db2.gz AOLBJAWMXCAHGZ-UHFFFAOYSA-N 1 1 345.450 3.491 40 0 EGABMO Cc1nc([C@@H]2CCCC[NH2+]2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000257241893 244245821 /nfs/dbraw/zinc/24/58/21/244245821.db2.gz IACMDJLVVUKFQL-KRWDZBQOSA-N 1 1 336.439 3.079 40 0 EGABMO C[C@]12C[C@@H](c3ccccc3)[N@@H+](Cc3ccccn3)[C@H]1CCCC(=O)N2 ZINC000257267024 244362886 /nfs/dbraw/zinc/36/28/86/244362886.db2.gz MFQOIHPTKWSSLH-ZJOUEHCJSA-N 1 1 335.451 3.456 40 0 EGABMO COc1ccc(C[N@@H+]2CCO[C@@H](c3nc(C)c[nH]3)C2)c2ccccc12 ZINC000257259379 244346040 /nfs/dbraw/zinc/34/60/40/244346040.db2.gz KYCVHFNNAHOSDT-LJQANCHMSA-N 1 1 337.423 3.453 40 0 EGABMO COc1ccc(C[N@H+]2CCO[C@@H](c3nc(C)c[nH]3)C2)c2ccccc12 ZINC000257259379 244346048 /nfs/dbraw/zinc/34/60/48/244346048.db2.gz KYCVHFNNAHOSDT-LJQANCHMSA-N 1 1 337.423 3.453 40 0 EGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccc(O)c1)Cc1ccccn1 ZINC000019527137 212038529 /nfs/dbraw/zinc/03/85/29/212038529.db2.gz WVXJNUTXIMZSQV-LJQANCHMSA-N 1 1 325.456 3.274 40 0 EGABMO CCC[N@H+]1C[C@H](NC(=O)c2cccs2)[C@@H](c2ccc(OC)cc2)C1 ZINC000019503507 212035630 /nfs/dbraw/zinc/03/56/30/212035630.db2.gz LOQCKKOGWACVOQ-SJORKVTESA-N 1 1 344.480 3.365 40 0 EGABMO Cn1nc([C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)c2nccnc21 ZINC000019289370 212011948 /nfs/dbraw/zinc/01/19/48/212011948.db2.gz JLSLFPAUNXZFSY-CYBMUJFWSA-N 1 1 343.381 3.021 40 0 EGABMO Cc1[nH+]c(CN2CCC(c3cc4nccnc4[nH]3)CC2)c2ccccn12 ZINC000019240712 212008513 /nfs/dbraw/zinc/00/85/13/212008513.db2.gz QUIYIMIBSFOTCW-UHFFFAOYSA-N 1 1 346.438 3.294 40 0 EGABMO C[NH+]1CCN(C(=O)c2ccccc2SCc2ccccc2)CC1 ZINC000010690980 211185296 /nfs/dbraw/zinc/18/52/96/211185296.db2.gz FXOUYSMIXFRJIG-UHFFFAOYSA-N 1 1 326.465 3.367 40 0 EGABMO CC(C)Oc1ncccc1C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000095420388 218360533 /nfs/dbraw/zinc/36/05/33/218360533.db2.gz IDBFDOIBLCBLPC-QKFKETGDSA-N 1 1 332.469 3.457 40 0 EGABMO COc1ccccc1N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)cn2)C1=O ZINC000096490234 278052036 /nfs/dbraw/zinc/05/20/36/278052036.db2.gz DKEFOMJGIYSATH-XJKSGUPXSA-N 1 1 343.402 3.076 40 0 EGABMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCCC(=O)N3)n1 ZINC000019236371 302028291 /nfs/dbraw/zinc/02/82/91/302028291.db2.gz SBKGYAZTPJJQNS-GHTZIAJQSA-N 1 1 335.451 3.028 40 0 EGABMO Cn1ccnc1[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000180642123 303004296 /nfs/dbraw/zinc/00/42/96/303004296.db2.gz FNSNBNVMNHCBNB-WMLDXEAASA-N 1 1 332.879 3.094 40 0 EGABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cccc2ncccc21 ZINC000572331706 317320982 /nfs/dbraw/zinc/32/09/82/317320982.db2.gz QPPFNQHUTMBKHP-LJQANCHMSA-N 1 1 347.418 3.030 40 0 EGABMO Cc1nc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)oc1C ZINC000183203146 455250555 /nfs/dbraw/zinc/25/05/55/455250555.db2.gz FNGVVMQOFVFYRD-UHFFFAOYSA-N 1 1 328.338 3.344 40 0 EGABMO O[C@@H](C[N@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000012251837 453352794 /nfs/dbraw/zinc/35/27/94/453352794.db2.gz FEYIPQUQFKKAGF-PMACEKPBSA-N 1 1 347.405 3.372 40 0 EGABMO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCOc1ccccc1Cl ZINC000012798781 453405803 /nfs/dbraw/zinc/40/58/03/453405803.db2.gz FMCQZKMHRPYTNY-HOCLYGCPSA-N 1 1 338.879 3.346 40 0 EGABMO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCOc1ccccc1Cl ZINC000012798781 453405810 /nfs/dbraw/zinc/40/58/10/453405810.db2.gz FMCQZKMHRPYTNY-HOCLYGCPSA-N 1 1 338.879 3.346 40 0 EGABMO C[C@H]1C[C@@](O)(CC(O)(c2ccccc2)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC000013122907 453446315 /nfs/dbraw/zinc/44/63/15/453446315.db2.gz RICXMDIFJNHTOE-BBTUJRGHSA-N 1 1 339.479 3.404 40 0 EGABMO Fc1ccc(C[NH+]2CCN(c3nccs3)CC2)c2ncccc12 ZINC000024680384 453742091 /nfs/dbraw/zinc/74/20/91/453742091.db2.gz XZTQOAWOVPZZSN-UHFFFAOYSA-N 1 1 328.416 3.153 40 0 EGABMO COC(=O)c1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c1 ZINC000030946551 453842220 /nfs/dbraw/zinc/84/22/20/453842220.db2.gz AARNMEZMIJTVFK-UHFFFAOYSA-N 1 1 349.390 3.279 40 0 EGABMO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccccc1 ZINC000089141009 454123903 /nfs/dbraw/zinc/12/39/03/454123903.db2.gz NJXXEJZFQDKZBG-AUUYWEPGSA-N 1 1 337.423 3.213 40 0 EGABMO c1ccc(CC[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC000096041735 454266854 /nfs/dbraw/zinc/26/68/54/454266854.db2.gz WMOPEWHJQIXUGM-PWRODBHTSA-N 1 1 338.451 3.073 40 0 EGABMO Cc1ncsc1C[N@H+]1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039918 454267023 /nfs/dbraw/zinc/26/70/23/454267023.db2.gz SEWYPOTXDYBQCO-QZTJIDSGSA-N 1 1 336.501 3.249 40 0 EGABMO CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096048000 454271792 /nfs/dbraw/zinc/27/17/92/454271792.db2.gz RHNJGEROFFUWCM-QGZVFWFLSA-N 1 1 330.428 3.128 40 0 EGABMO COc1cccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000072227769 454276002 /nfs/dbraw/zinc/27/60/02/454276002.db2.gz SUXURGATXKYYCX-CABCVRRESA-N 1 1 336.313 3.129 40 0 EGABMO Cn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096059858 454277077 /nfs/dbraw/zinc/27/70/77/454277077.db2.gz ILMGZBNVQLTEQC-KRWDZBQOSA-N 1 1 329.419 3.085 40 0 EGABMO Cn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](Cc1ccc(F)cc1)C2 ZINC000096059858 454277079 /nfs/dbraw/zinc/27/70/79/454277079.db2.gz ILMGZBNVQLTEQC-KRWDZBQOSA-N 1 1 329.419 3.085 40 0 EGABMO Cc1nc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2cnn(C)c2)C3)cs1 ZINC000096109268 454286316 /nfs/dbraw/zinc/28/63/16/454286316.db2.gz LVXOAOXRPSUISR-AEFFLSMTSA-N 1 1 346.500 3.004 40 0 EGABMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccncc2)[C@H]1Cc1ccccc1 ZINC000096200806 454302136 /nfs/dbraw/zinc/30/21/36/454302136.db2.gz WXRBZKZVRMFSCJ-UXHICEINSA-N 1 1 337.467 3.248 40 0 EGABMO CN(Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC000096220899 454309248 /nfs/dbraw/zinc/30/92/48/454309248.db2.gz KJSFYPNDNXZLHY-HXUWFJFHSA-N 1 1 343.515 3.327 40 0 EGABMO Fc1cccnc1N1CCC[C@@]2(C1)C[N@H+](Cc1cccs1)CCO2 ZINC000096226404 454309371 /nfs/dbraw/zinc/30/93/71/454309371.db2.gz JWZLAODGEXBDKZ-SFHVURJKSA-N 1 1 347.459 3.154 40 0 EGABMO Fc1cccnc1N1CCC[C@@]2(C1)C[N@@H+](Cc1cccs1)CCO2 ZINC000096226404 454309377 /nfs/dbraw/zinc/30/93/77/454309377.db2.gz JWZLAODGEXBDKZ-SFHVURJKSA-N 1 1 347.459 3.154 40 0 EGABMO O=C(c1cscn1)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC000096239482 454309890 /nfs/dbraw/zinc/30/98/90/454309890.db2.gz UMJRQTDYOQJPQO-GOSISDBHSA-N 1 1 345.443 3.163 40 0 EGABMO O=C(c1cscn1)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC000096239482 454309897 /nfs/dbraw/zinc/30/98/97/454309897.db2.gz UMJRQTDYOQJPQO-GOSISDBHSA-N 1 1 345.443 3.163 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccccn2)C[C@]12CCN(c1ccccn1)C2 ZINC000096239609 454310218 /nfs/dbraw/zinc/31/02/18/454310218.db2.gz KAHDZXUOMSPHTH-SFHVURJKSA-N 1 1 344.409 3.214 40 0 EGABMO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000096451989 454356187 /nfs/dbraw/zinc/35/61/87/454356187.db2.gz AUXYBIUVMATAKF-NSHDSACASA-N 1 1 343.240 3.066 40 0 EGABMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000096451989 454356191 /nfs/dbraw/zinc/35/61/91/454356191.db2.gz AUXYBIUVMATAKF-NSHDSACASA-N 1 1 343.240 3.066 40 0 EGABMO O[C@@H](C[C@H]1CCCCC[N@H+]1CCC1OCCO1)c1cccs1 ZINC000097094916 454404943 /nfs/dbraw/zinc/40/49/43/454404943.db2.gz RSJQWERZEXESLK-CABCVRRESA-N 1 1 325.474 3.179 40 0 EGABMO COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)cc1C ZINC000091555622 454446403 /nfs/dbraw/zinc/44/64/03/454446403.db2.gz RHMDAVBACKNSHU-GXTWGEPZSA-N 1 1 347.415 3.082 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)s1 ZINC000107785614 454773367 /nfs/dbraw/zinc/77/33/67/454773367.db2.gz LTLFTHGJBMNQKT-AEFFLSMTSA-N 1 1 330.453 3.264 40 0 EGABMO COC(=O)c1ccc2[nH]cc(C(=O)Cn3cc[nH+]c3C(C)C)c2c1 ZINC000127911004 455008799 /nfs/dbraw/zinc/00/87/99/455008799.db2.gz XFOYULNGWSFEMS-UHFFFAOYSA-N 1 1 325.368 3.157 40 0 EGABMO C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)[C@H]1CCSC1 ZINC000245339138 455282507 /nfs/dbraw/zinc/28/25/07/455282507.db2.gz QTJAYFVBAJEUDB-BBRMVZONSA-N 1 1 340.439 3.066 40 0 EGABMO Cc1cccc(COC[C@@H]2C[C@@H]3OCC[N@H+](Cc4ccoc4)[C@H]3C2)n1 ZINC000247856599 455650280 /nfs/dbraw/zinc/65/02/80/455650280.db2.gz CZWQYHYUTLZTIG-IHPCNDPISA-N 1 1 342.439 3.179 40 0 EGABMO Cc1cccc(COC[C@@H]2C[C@@H]3OCC[N@@H+](Cc4ccoc4)[C@H]3C2)n1 ZINC000247856599 455650284 /nfs/dbraw/zinc/65/02/84/455650284.db2.gz CZWQYHYUTLZTIG-IHPCNDPISA-N 1 1 342.439 3.179 40 0 EGABMO C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248096338 455680011 /nfs/dbraw/zinc/68/00/11/455680011.db2.gz ZGBSZRDOCKVGBN-IAGOWNOFSA-N 1 1 332.469 3.022 40 0 EGABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccsc3)C[C@@H]12 ZINC000248161855 455690872 /nfs/dbraw/zinc/69/08/72/455690872.db2.gz XYEYHYGWKWWJAF-IEBWSBKVSA-N 1 1 326.465 3.236 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)n1 ZINC000257314313 455888621 /nfs/dbraw/zinc/88/86/21/455888621.db2.gz UWJRVUBUMXPENO-INIZCTEOSA-N 1 1 348.454 3.025 40 0 EGABMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257321223 455890347 /nfs/dbraw/zinc/89/03/47/455890347.db2.gz WAQUDGGUQYHLCM-GOSISDBHSA-N 1 1 331.423 3.232 40 0 EGABMO Cc1nc(C[NH+]2CCC(c3cncc(-c4ncc[nH]4)n3)CC2)cs1 ZINC000257336304 455894512 /nfs/dbraw/zinc/89/45/12/455894512.db2.gz YNVOLHROHPINGR-UHFFFAOYSA-N 1 1 340.456 3.011 40 0 EGABMO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@@H+](C)C3)nn2c1 ZINC000306139416 456568053 /nfs/dbraw/zinc/56/80/53/456568053.db2.gz SWSWCXVAGLJNLB-AWEZNQCLSA-N 1 1 340.402 3.353 40 0 EGABMO c1cc2n(c1)C[C@H](CCNc1ccccn1)C[N@@H+](Cc1cccnc1)C2 ZINC000585095445 459822258 /nfs/dbraw/zinc/82/22/58/459822258.db2.gz QSPXZGYHBNHBRL-LJQANCHMSA-N 1 1 347.466 3.412 40 0 EGABMO c1cc2n(c1)C[C@H](CCNc1ccccn1)C[N@H+](Cc1cccnc1)C2 ZINC000585095445 459822260 /nfs/dbraw/zinc/82/22/60/459822260.db2.gz QSPXZGYHBNHBRL-LJQANCHMSA-N 1 1 347.466 3.412 40 0 EGABMO CCn1cc(C[N@H+]2Cc3cccn3C[C@H](CCOCC3CC3)C2)cn1 ZINC000585095573 459823209 /nfs/dbraw/zinc/82/32/09/459823209.db2.gz XYEGWPMYEUAUCJ-GOSISDBHSA-N 1 1 342.487 3.153 40 0 EGABMO CCn1cc(C[N@@H+]2Cc3cccn3C[C@H](CCOCC3CC3)C2)cn1 ZINC000585095573 459823214 /nfs/dbraw/zinc/82/32/14/459823214.db2.gz XYEGWPMYEUAUCJ-GOSISDBHSA-N 1 1 342.487 3.153 40 0 EGABMO COc1ccc(OC)c(C(=O)N2CCC[C@]3(CC[N@H+]3CC(C)C)C2)c1 ZINC000585101796 459823429 /nfs/dbraw/zinc/82/34/29/459823429.db2.gz HBUMAJDEKHPLGZ-FQEVSTJZSA-N 1 1 346.471 3.040 40 0 EGABMO CCCC[N@H+]1CCOC[C@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585104175 459823923 /nfs/dbraw/zinc/82/39/23/459823923.db2.gz KARFDFLZSABCRA-YLJYHZDGSA-N 1 1 330.472 3.099 40 0 EGABMO CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C)n2)[C@H]1Cc1ccccc1 ZINC000585268805 459832820 /nfs/dbraw/zinc/83/28/20/459832820.db2.gz AAIUVGWCBINZNC-SFTDATJTSA-N 1 1 337.467 3.102 40 0 EGABMO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(C)cc2)cc(OC)c1 ZINC000003346822 210015203 /nfs/dbraw/zinc/01/52/03/210015203.db2.gz GYMNARBVGOYADY-UHFFFAOYSA-N 1 1 328.412 3.083 40 0 EGABMO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C)cc2)cc(OC)c1 ZINC000003346822 210015206 /nfs/dbraw/zinc/01/52/06/210015206.db2.gz GYMNARBVGOYADY-UHFFFAOYSA-N 1 1 328.412 3.083 40 0 EGABMO CCC(CC)C(=O)N[C@H]1C[C@@H](Cc2cc(C[NH+](C)C)on2)C1(C)C ZINC000067889771 215242200 /nfs/dbraw/zinc/24/22/00/215242200.db2.gz GWEZUGSVWWZYHL-PBHICJAKSA-N 1 1 335.492 3.246 40 0 biogenic,in-vitro EGABMO CCCC[N@@H+](CC)CC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000040067006 213256122 /nfs/dbraw/zinc/25/61/22/213256122.db2.gz MZSZQDKYRZZFRJ-UHFFFAOYSA-N 1 1 326.824 3.172 40 0 EGABMO CCCc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(C)cc3)CC2)[nH]n1 ZINC000036741150 213116239 /nfs/dbraw/zinc/11/62/39/213116239.db2.gz PFXIOPMLBVZWAN-INIZCTEOSA-N 1 1 340.471 3.190 40 0 EGABMO O=C(NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1cccs1 ZINC000036700073 213111488 /nfs/dbraw/zinc/11/14/88/213111488.db2.gz XRBYPEYIQXRNLE-KRWDZBQOSA-N 1 1 344.480 3.332 40 0 EGABMO O=C(NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1cccs1 ZINC000036700073 213111493 /nfs/dbraw/zinc/11/14/93/213111493.db2.gz XRBYPEYIQXRNLE-KRWDZBQOSA-N 1 1 344.480 3.332 40 0 EGABMO COc1ccccc1[C@H](CNC(=O)CCCc1ccccc1)[NH+](C)C ZINC000036396562 213097386 /nfs/dbraw/zinc/09/73/86/213097386.db2.gz IGPNZQUSSLEPNU-IBGZPJMESA-N 1 1 340.467 3.437 40 0 EGABMO Cc1ncccc1Oc1cncc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072384253 216185170 /nfs/dbraw/zinc/18/51/70/216185170.db2.gz DBINZHSLNFJLJU-KRWDZBQOSA-N 1 1 340.427 3.288 40 0 EGABMO C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)cn3nnnc23)C1 ZINC000072392332 216190697 /nfs/dbraw/zinc/19/06/97/216190697.db2.gz FIHYSXHRGAYYAZ-ZDUSSCGKSA-N 1 1 325.391 3.162 40 0 EGABMO Cc1nc(C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)co1 ZINC000225890824 242072151 /nfs/dbraw/zinc/07/21/51/242072151.db2.gz SBXCKCJHSZIJNH-UHFFFAOYSA-N 1 1 330.775 3.027 40 0 EGABMO Cc1cccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)n1 ZINC000225744327 242014815 /nfs/dbraw/zinc/01/48/15/242014815.db2.gz QCFHAJVSEDSXOU-UHFFFAOYSA-N 1 1 340.496 3.125 40 0 EGABMO O[C@@](CC[NH+]1CCOCC1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000020806250 212174003 /nfs/dbraw/zinc/17/40/03/212174003.db2.gz LHWCWUJAYYNBCH-IBGZPJMESA-N 1 1 331.843 3.298 40 0 EGABMO CC[NH+]1CCN(C(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 ZINC000020481576 212137120 /nfs/dbraw/zinc/13/71/20/212137120.db2.gz KBSIZTAIZAPPMZ-UHFFFAOYSA-N 1 1 347.311 3.391 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2cccs2)CC[C@@]12CC[C@@H](C(=O)N1CCCC1)O2 ZINC000253604167 244037793 /nfs/dbraw/zinc/03/77/93/244037793.db2.gz VLRRGWVMGZTWDZ-AYBZRNKSSA-N 1 1 348.512 3.130 40 0 EGABMO Clc1ccc(C[N@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)nc1 ZINC000257230513 244209834 /nfs/dbraw/zinc/20/98/34/244209834.db2.gz GCRCJIFDRXRFAK-ZDUSSCGKSA-N 1 1 327.819 3.386 40 0 EGABMO Cn1cc(CCC(=O)N2CCCC[C@@H]3[C@H]2CC[N@H+]3C)c2ccccc21 ZINC000257230773 244212092 /nfs/dbraw/zinc/21/20/92/244212092.db2.gz GDWDIMGWIYEXHT-WOJBJXKFSA-N 1 1 339.483 3.196 40 0 EGABMO Cc1cccc(N2CCC[C@H](N(C)C(=O)c3ccc4[nH]cnc4c3)C2)[nH+]1 ZINC000257241069 244244234 /nfs/dbraw/zinc/24/42/34/244244234.db2.gz HWLKEPBTQGSFCE-INIZCTEOSA-N 1 1 349.438 3.007 40 0 EGABMO COCC[N@H+]1CCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000257247842 244261068 /nfs/dbraw/zinc/26/10/68/244261068.db2.gz JAUUQIVLCQNDFI-HNNXBMFYSA-N 1 1 332.835 3.163 40 0 EGABMO Cc1nn(C)c2nc([C@H]3CCC[N@@H+](Cc4ncccc4F)C3)ccc12 ZINC000257257136 244285392 /nfs/dbraw/zinc/28/53/92/244285392.db2.gz KOFGDWKVLZPAEL-AWEZNQCLSA-N 1 1 339.418 3.190 40 0 EGABMO Cc1nc([C@@H]2CCC[N@@H+]2C)cc(N2CC3(CCCCC3)OC2=O)n1 ZINC000257268957 244370472 /nfs/dbraw/zinc/37/04/72/244370472.db2.gz MNYCGTLLQGJNGX-HNNXBMFYSA-N 1 1 330.432 3.211 40 0 EGABMO CN(C)c1nc([C@@H]2CCC[N@H+](Cc3cscn3)C2)cn2cccc12 ZINC000257260794 244346978 /nfs/dbraw/zinc/34/69/78/244346978.db2.gz LEKKRYBLYXUHKM-CQSZACIVSA-N 1 1 341.484 3.236 40 0 EGABMO CN(C)c1nc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)cn2cccc12 ZINC000257260794 244346984 /nfs/dbraw/zinc/34/69/84/244346984.db2.gz LEKKRYBLYXUHKM-CQSZACIVSA-N 1 1 341.484 3.236 40 0 EGABMO CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)c1 ZINC000257263626 244355580 /nfs/dbraw/zinc/35/55/80/244355580.db2.gz LQUPOFMJLOXSFC-INIZCTEOSA-N 1 1 325.412 3.119 40 0 EGABMO CN(C)c1ncccc1C[N@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019719786 212057293 /nfs/dbraw/zinc/05/72/93/212057293.db2.gz JWWTVFSZZVAWLY-INIZCTEOSA-N 1 1 349.482 3.479 40 0 EGABMO C[NH2+]C1CCC2(CC1)CN(Cc1cccnc1)Cc1ccccc1O2 ZINC000019591993 212048689 /nfs/dbraw/zinc/04/86/89/212048689.db2.gz RYBQTQLKSATEFE-UHFFFAOYSA-N 1 1 337.467 3.377 40 0 EGABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc(Oc2ccccc2)c1 ZINC000019575288 212045996 /nfs/dbraw/zinc/04/59/96/212045996.db2.gz LJDBOVSRUAMIBV-BHIYHBOVSA-N 1 1 338.451 3.118 40 0 EGABMO CCc1[nH+]ccn1CCC(=O)N[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000019523647 212038084 /nfs/dbraw/zinc/03/80/84/212038084.db2.gz JMGKQADBLGLKNC-OAQYLSRUSA-N 1 1 348.450 3.445 40 0 EGABMO Cn1nc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)c2nccnc21 ZINC000019289375 212011333 /nfs/dbraw/zinc/01/13/33/212011333.db2.gz JLPKGHKCPKLURG-GFCCVEGCSA-N 1 1 343.381 3.021 40 0 EGABMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)N(C)Cc1ccco1)CCC2 ZINC000079354253 217214065 /nfs/dbraw/zinc/21/40/65/217214065.db2.gz KOUCSBUNBOYJLW-OAHLLOKOSA-N 1 1 333.457 3.012 40 0 EGABMO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)N(C)Cc1ccco1)CCC2 ZINC000079354253 217214069 /nfs/dbraw/zinc/21/40/69/217214069.db2.gz KOUCSBUNBOYJLW-OAHLLOKOSA-N 1 1 333.457 3.012 40 0 EGABMO O[C@H]1C[C@@H](C2CCCCC2)[N@@H+](Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000110645461 220051483 /nfs/dbraw/zinc/05/14/83/220051483.db2.gz QVUWMUQYNWYQRJ-IRXDYDNUSA-N 1 1 345.418 3.391 40 0 EGABMO C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000080086821 217278068 /nfs/dbraw/zinc/27/80/68/217278068.db2.gz OWQNMEZCTUYOIS-HUUCEWRRSA-N 1 1 346.446 3.168 40 0 EGABMO CCc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 ZINC000012276702 211333891 /nfs/dbraw/zinc/33/38/91/211333891.db2.gz VJAIIFRIAWVYKC-UFRUDQCGSA-N 1 1 341.430 3.193 40 0 EGABMO CSCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181492724 533516902 /nfs/dbraw/zinc/51/69/02/533516902.db2.gz OPCYNDDDRFLOKY-UHFFFAOYSA-N 1 1 347.311 3.437 40 0 EGABMO O=C(c1ccco1)N1C[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000096054187 275014487 /nfs/dbraw/zinc/01/44/87/275014487.db2.gz UDBIVBPDVKJABW-WBVHZDCISA-N 1 1 328.387 3.155 40 0 EGABMO O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000096054187 275014488 /nfs/dbraw/zinc/01/44/88/275014488.db2.gz UDBIVBPDVKJABW-WBVHZDCISA-N 1 1 328.387 3.155 40 0 EGABMO CC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)C[C@@H]1C(=O)c1ccccc1 ZINC000004720806 278221513 /nfs/dbraw/zinc/22/15/13/278221513.db2.gz NFJIYNMGCOTJRP-TZIWHRDSSA-N 1 1 337.419 3.280 40 0 EGABMO C[N@H+]1CCc2ncnc(Sc3nc4ccccc4n3C(F)F)c2C1 ZINC000239869324 455262673 /nfs/dbraw/zinc/26/26/73/455262673.db2.gz CYGSOIHYEQTLBF-UHFFFAOYSA-N 1 1 347.394 3.361 40 0 EGABMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccoc1C1CC1 ZINC000241170993 455266968 /nfs/dbraw/zinc/26/69/68/455266968.db2.gz KDJZVIGYJRSXAQ-KBXCAEBGSA-N 1 1 339.439 3.192 40 0 EGABMO C=Cc1ccc(C[N@H+]2CCC[C@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000012087299 453346282 /nfs/dbraw/zinc/34/62/82/453346282.db2.gz BAGWNUBCHFBKCC-JOCHJYFZSA-N 1 1 348.446 3.487 40 0 EGABMO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](CC2CCCCC2)C1 ZINC000015674081 453582335 /nfs/dbraw/zinc/58/23/35/453582335.db2.gz RFAKQAGKHUYGPY-SJORKVTESA-N 1 1 327.428 3.425 40 0 biogenic,in-vitro EGABMO COc1cccc(C[N@H+]2CC[C@@H](c3nc(C(C)(C)C)no3)C2)c1OC ZINC000019084639 453653478 /nfs/dbraw/zinc/65/34/78/453653478.db2.gz KULWHAUJSUQAKA-CQSZACIVSA-N 1 1 345.443 3.374 40 0 EGABMO c1cc(-c2ccc([C@H]3C[N@H+](CCc4ccccc4)CCO3)nc2)n[nH]1 ZINC000019692561 453658632 /nfs/dbraw/zinc/65/86/32/453658632.db2.gz UQFSRYHOPUZRRV-HXUWFJFHSA-N 1 1 334.423 3.088 40 0 EGABMO c1cc(-c2ccc([C@H]3C[N@@H+](CCc4ccccc4)CCO3)nc2)n[nH]1 ZINC000019692561 453658638 /nfs/dbraw/zinc/65/86/38/453658638.db2.gz UQFSRYHOPUZRRV-HXUWFJFHSA-N 1 1 334.423 3.088 40 0 EGABMO C[N@@H+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)[C@@H](c2ccccc2)C1 ZINC000030030290 453833649 /nfs/dbraw/zinc/83/36/49/453833649.db2.gz OMUKFVSANQJYLX-LJQANCHMSA-N 1 1 348.450 3.011 40 0 EGABMO C[N@H+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)[C@@H](c2ccccc2)C1 ZINC000030030290 453833650 /nfs/dbraw/zinc/83/36/50/453833650.db2.gz OMUKFVSANQJYLX-LJQANCHMSA-N 1 1 348.450 3.011 40 0 EGABMO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)CCOc2ccccc2C)cc1 ZINC000032806033 453892078 /nfs/dbraw/zinc/89/20/78/453892078.db2.gz IEUVBZHORBOXPQ-GOSISDBHSA-N 1 1 340.467 3.319 40 0 EGABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccccc3F)n[nH]2)cc1OC ZINC000095534280 454230473 /nfs/dbraw/zinc/23/04/73/454230473.db2.gz RIDBEAAFMLDTIE-INIZCTEOSA-N 1 1 342.374 3.066 40 0 EGABMO COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000096039140 454265334 /nfs/dbraw/zinc/26/53/34/454265334.db2.gz CIKOGMGUTKCFOG-UXHICEINSA-N 1 1 326.440 3.252 40 0 EGABMO c1cc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)cs1 ZINC000096041812 454267145 /nfs/dbraw/zinc/26/71/45/454267145.db2.gz BLMGHFBLBNTNKR-RCCFBDPRSA-N 1 1 330.453 3.092 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)cs1 ZINC000096041812 454267149 /nfs/dbraw/zinc/26/71/49/454267149.db2.gz BLMGHFBLBNTNKR-RCCFBDPRSA-N 1 1 330.453 3.092 40 0 EGABMO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096047038 454270084 /nfs/dbraw/zinc/27/00/84/454270084.db2.gz FOOKPZAUJICEBT-IBGZPJMESA-N 1 1 341.480 3.271 40 0 EGABMO c1csc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC000096046621 454270210 /nfs/dbraw/zinc/27/02/10/454270210.db2.gz UVVGJLWFNPJBOF-UHFFFAOYSA-N 1 1 328.485 3.026 40 0 EGABMO c1csc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 ZINC000096048233 454271223 /nfs/dbraw/zinc/27/12/23/454271223.db2.gz OWTUZEKXYHYKHL-FUHWJXTLSA-N 1 1 330.453 3.346 40 0 EGABMO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccncc1)CC2 ZINC000096051585 454272642 /nfs/dbraw/zinc/27/26/42/454272642.db2.gz GUFRILJGXZFMLA-SFHVURJKSA-N 1 1 339.439 3.191 40 0 EGABMO Cn1cc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)cn1 ZINC000096051101 454273030 /nfs/dbraw/zinc/27/30/30/454273030.db2.gz BEQUKDFONJKZBW-GOSISDBHSA-N 1 1 346.425 3.158 40 0 EGABMO CN(Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000096056293 454274178 /nfs/dbraw/zinc/27/41/78/454274178.db2.gz SWBADJJFMJTEKB-ZYSHUDEJSA-N 1 1 346.496 3.310 40 0 EGABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Br)cc2)cc1 ZINC000072227454 454275337 /nfs/dbraw/zinc/27/53/37/454275337.db2.gz PCIIFDBHQDVFBZ-LSDHHAIUSA-N 1 1 331.213 3.173 40 0 EGABMO COc1cccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000072227773 454276397 /nfs/dbraw/zinc/27/63/97/454276397.db2.gz WCJYOGMQYJECQY-CABCVRRESA-N 1 1 337.206 3.417 40 0 EGABMO Fc1ccc(C[N@H+]2C[C@@H](OCc3ccccn3)[C@@H]3OCCC[C@@H]32)cc1 ZINC000096058150 454277221 /nfs/dbraw/zinc/27/72/21/454277221.db2.gz BFEDZNVGUKAVPE-XUVXKRRUSA-N 1 1 342.414 3.169 40 0 EGABMO Cc1nc(CN2CCC3(C2)CC[NH+](Cc2cccn2C)CC3)cs1 ZINC000096062853 454277928 /nfs/dbraw/zinc/27/79/28/454277928.db2.gz YBGDBEINNGSSSP-UHFFFAOYSA-N 1 1 344.528 3.278 40 0 EGABMO CC(C)n1c(C(=O)N2CC[NH+](C)CC2)cc2c1c1ccccc1n2C ZINC000096146287 454292764 /nfs/dbraw/zinc/29/27/64/454292764.db2.gz UMEWUVCZGWGROC-UHFFFAOYSA-N 1 1 338.455 3.102 40 0 EGABMO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC000096158167 454295892 /nfs/dbraw/zinc/29/58/92/454295892.db2.gz AWRBJIGKOWJWGV-FQEVSTJZSA-N 1 1 327.472 3.200 40 0 EGABMO Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3Cc2cccnc2)oc1C ZINC000096186354 454299759 /nfs/dbraw/zinc/29/97/59/454299759.db2.gz GNUMKDAYVGAZDV-OALUTQOASA-N 1 1 339.439 3.057 40 0 EGABMO C[N@H+](Cc1cccnc1)Cc1cncc2c1CCN(Cc1ccoc1)C2 ZINC000096189524 454300902 /nfs/dbraw/zinc/30/09/02/454300902.db2.gz NMQYUFQRMNMEQU-UHFFFAOYSA-N 1 1 348.450 3.260 40 0 EGABMO C[N@@H+](Cc1cccnc1)Cc1cncc2c1CCN(Cc1ccoc1)C2 ZINC000096189524 454300904 /nfs/dbraw/zinc/30/09/04/454300904.db2.gz NMQYUFQRMNMEQU-UHFFFAOYSA-N 1 1 348.450 3.260 40 0 EGABMO CCOC[C@@H]1C[N@H+](Cc2cn(C)c3ccccc23)Cc2cn(C)nc21 ZINC000096198005 454302617 /nfs/dbraw/zinc/30/26/17/454302617.db2.gz UCRQSISMKAAXFD-KRWDZBQOSA-N 1 1 338.455 3.048 40 0 EGABMO CCOC[C@@H]1C[N@@H+](Cc2cn(C)c3ccccc23)Cc2cn(C)nc21 ZINC000096198005 454302625 /nfs/dbraw/zinc/30/26/25/454302625.db2.gz UCRQSISMKAAXFD-KRWDZBQOSA-N 1 1 338.455 3.048 40 0 EGABMO CCOC[C@H]1C[N@H+](Cc2cccs2)Cc2cn(CC3CC3)nc21 ZINC000096198156 454302770 /nfs/dbraw/zinc/30/27/70/454302770.db2.gz XBODRHZCYUVYLS-MRXNPFEDSA-N 1 1 331.485 3.491 40 0 EGABMO CCOC[C@H]1C[N@@H+](Cc2cccs2)Cc2cn(CC3CC3)nc21 ZINC000096198156 454302772 /nfs/dbraw/zinc/30/27/72/454302772.db2.gz XBODRHZCYUVYLS-MRXNPFEDSA-N 1 1 331.485 3.491 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)o1 ZINC000096215878 454305107 /nfs/dbraw/zinc/30/51/07/454305107.db2.gz SRPXCCVLRWNTKE-FQEVSTJZSA-N 1 1 325.456 3.471 40 0 EGABMO Cc1ccc(CN2CCC[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)o1 ZINC000096215878 454305111 /nfs/dbraw/zinc/30/51/11/454305111.db2.gz SRPXCCVLRWNTKE-FQEVSTJZSA-N 1 1 325.456 3.471 40 0 EGABMO Cc1ccc(CN2CCC[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)o1 ZINC000096215878 454305117 /nfs/dbraw/zinc/30/51/17/454305117.db2.gz SRPXCCVLRWNTKE-FQEVSTJZSA-N 1 1 325.456 3.471 40 0 EGABMO COc1cccc(CN2CCC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096215680 454305415 /nfs/dbraw/zinc/30/54/15/454305415.db2.gz DOMCWLGWBUQYER-OAQYLSRUSA-N 1 1 344.499 3.162 40 0 EGABMO Fc1cccnc1N[C@@H]1CO[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096219189 454307297 /nfs/dbraw/zinc/30/72/97/454307297.db2.gz GVKSBLLBBYSCGJ-GUYCJALGSA-N 1 1 333.432 3.128 40 0 EGABMO Cc1nc(CN2C[C@]3(CC[N@@H+](Cc4cccs4)C3)CC2=O)cs1 ZINC000096239364 454310811 /nfs/dbraw/zinc/31/08/11/454310811.db2.gz GDOLMMFKDZAJLY-QGZVFWFLSA-N 1 1 347.509 3.138 40 0 EGABMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccsc1 ZINC000096439082 454348703 /nfs/dbraw/zinc/34/87/03/454348703.db2.gz HLHUTXSHBMMWOA-GOSISDBHSA-N 1 1 343.496 3.412 40 0 EGABMO O=C(C[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1)NCc1cccnc1 ZINC000096481040 454363685 /nfs/dbraw/zinc/36/36/85/454363685.db2.gz UDWPDENOQWXMBO-CTNGQTDRSA-N 1 1 335.451 3.099 40 0 EGABMO CCc1[nH+]ccn1CC1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000062129796 454368503 /nfs/dbraw/zinc/36/85/03/454368503.db2.gz MFBAJXFUZVIJQQ-UHFFFAOYSA-N 1 1 333.382 3.276 40 0 EGABMO CCOC(=O)N1CCC([NH2+][C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000096494316 454371205 /nfs/dbraw/zinc/37/12/05/454371205.db2.gz VEQGTWNNNURFEI-ZDUSSCGKSA-N 1 1 344.415 3.008 40 0 EGABMO CO[C@@H]1CCCCC[C@@H]1[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000097212901 454424734 /nfs/dbraw/zinc/42/47/34/454424734.db2.gz VHHBXTIROFSOPE-JKSUJKDBSA-N 1 1 337.489 3.096 40 0 EGABMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccn4)C3)o2)cc1 ZINC000049170138 454537039 /nfs/dbraw/zinc/53/70/39/454537039.db2.gz VWKIROLJDNLKCO-HNNXBMFYSA-N 1 1 336.395 3.130 40 0 biogenic,in-vitro EGABMO c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C3)o2)cc1 ZINC000049169346 454537071 /nfs/dbraw/zinc/53/70/71/454537071.db2.gz IZOMNAIHHXXGCR-INIZCTEOSA-N 1 1 349.390 3.455 40 0 biogenic,in-vitro EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)s1 ZINC000107730870 454771422 /nfs/dbraw/zinc/77/14/22/454771422.db2.gz FUAIWKUUBZCLAW-QAPCUYQASA-N 1 1 344.484 3.082 40 0 EGABMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccco2)[C@H]1c1cccs1 ZINC000110630299 454849727 /nfs/dbraw/zinc/84/97/27/454849727.db2.gz IBICKUORQFEJNB-BBRMVZONSA-N 1 1 333.457 3.223 40 0 EGABMO COc1cccc2cc([C@@H](C)NC(=O)C[N@@H+](C)[C@H]3CCSC3)oc21 ZINC000110698182 454851435 /nfs/dbraw/zinc/85/14/35/454851435.db2.gz LXYSXCZQYPDRSW-OCCSQVGLSA-N 1 1 348.468 3.056 40 0 EGABMO Cn1cc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c(-c2ccccc2)n1 ZINC000179987529 455111001 /nfs/dbraw/zinc/11/10/01/455111001.db2.gz LUESZUASKSVRPC-KRWDZBQOSA-N 1 1 347.466 3.416 40 0 EGABMO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000245228728 455281273 /nfs/dbraw/zinc/28/12/73/455281273.db2.gz DHLGTTUFAHBXDS-QXDZREBPSA-N 1 1 345.527 3.357 40 0 EGABMO Fc1ccccc1C[NH+]1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000247521181 455616672 /nfs/dbraw/zinc/61/66/72/455616672.db2.gz LOZOEKSKFCBRET-KRWDZBQOSA-N 1 1 344.455 3.497 40 0 EGABMO Cc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3COCc2ccccn2)c1 ZINC000247891179 455652762 /nfs/dbraw/zinc/65/27/62/455652762.db2.gz FTNVGJPNRYYNRK-LJQANCHMSA-N 1 1 338.451 3.198 40 0 EGABMO C[N@@H+](Cc1csc(-c2ccccn2)n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000248116012 455681472 /nfs/dbraw/zinc/68/14/72/455681472.db2.gz LMHLJPDKPLJGFO-NUEKZKHPSA-N 1 1 329.469 3.450 40 0 EGABMO C[C@H](NC(=O)N1CCSCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000250976522 455789528 /nfs/dbraw/zinc/78/95/28/455789528.db2.gz VBHPEOIHMOPGNC-PMPSAXMXSA-N 1 1 339.549 3.176 40 0 EGABMO C[C@H](NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)c1ccc(F)c(F)c1 ZINC000252477203 455806135 /nfs/dbraw/zinc/80/61/35/455806135.db2.gz JYVBIANUDPQQSD-OWCBBSPXSA-N 1 1 349.425 3.152 40 0 EGABMO Cc1cc(CC[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)cc(C)c1O ZINC000252536801 455820982 /nfs/dbraw/zinc/82/09/82/455820982.db2.gz JPDFASFMXVBQCQ-MISYRCLQSA-N 1 1 346.515 3.031 40 0 EGABMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3cccs3)[C@@H](C)C2)s1 ZINC000253419208 455842982 /nfs/dbraw/zinc/84/29/82/455842982.db2.gz KNUSFRODRIGBHN-SMDDNHRTSA-N 1 1 335.498 3.153 40 0 EGABMO O[C@H](C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1)c1ccccc1 ZINC000253420760 455844308 /nfs/dbraw/zinc/84/43/08/455844308.db2.gz LMNXNOYCKNMGJU-ZIAGYGMSSA-N 1 1 339.361 3.342 40 0 EGABMO O[C@H](C[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1)c1ccccc1 ZINC000253420760 455844313 /nfs/dbraw/zinc/84/43/13/455844313.db2.gz LMNXNOYCKNMGJU-ZIAGYGMSSA-N 1 1 339.361 3.342 40 0 EGABMO O[C@H](C[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1)c1ccccc1 ZINC000253420760 455844317 /nfs/dbraw/zinc/84/43/17/455844317.db2.gz LMNXNOYCKNMGJU-ZIAGYGMSSA-N 1 1 339.361 3.342 40 0 EGABMO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@H](Cc4ccccn4)C3)c2n1 ZINC000257305096 455886912 /nfs/dbraw/zinc/88/69/12/455886912.db2.gz SOKROGMFSGKATC-QGZVFWFLSA-N 1 1 335.455 3.196 40 0 EGABMO Cn1cncc1-c1cccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000257307281 455887343 /nfs/dbraw/zinc/88/73/43/455887343.db2.gz SYAMZQOCQBAMOI-INIZCTEOSA-N 1 1 333.439 3.257 40 0 EGABMO Cc1nc(C(=O)N2[C@@H](c3ccccc3)C[C@H]3[C@H]2CCCC[N@@H+]3C)co1 ZINC000257311216 455889426 /nfs/dbraw/zinc/88/94/26/455889426.db2.gz UILDCCSBHFPEJB-QRVBRYPASA-N 1 1 339.439 3.423 40 0 EGABMO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CCc2ccncc2)cc1 ZINC000257319782 455890623 /nfs/dbraw/zinc/89/06/23/455890623.db2.gz VUAHBJUZCGFFPT-GOSISDBHSA-N 1 1 344.480 3.082 40 0 EGABMO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]2CCc2ccncc2)cc1 ZINC000257319782 455890630 /nfs/dbraw/zinc/89/06/30/455890630.db2.gz VUAHBJUZCGFFPT-GOSISDBHSA-N 1 1 344.480 3.082 40 0 EGABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(NC)c2)cc1CO ZINC000257323488 455891271 /nfs/dbraw/zinc/89/12/71/455891271.db2.gz WKKGYEUJIVDCRU-SFHVURJKSA-N 1 1 341.455 3.351 40 0 EGABMO c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257329902 455892715 /nfs/dbraw/zinc/89/27/15/455892715.db2.gz XLYWZJSMGCWQMG-CYBMUJFWSA-N 1 1 325.441 3.308 40 0 EGABMO Cc1ccc(OCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1C ZINC000225178913 456074433 /nfs/dbraw/zinc/07/44/33/456074433.db2.gz NCKLYIKJYFTVCF-LJQANCHMSA-N 1 1 326.440 3.101 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2cc(C)ccn2)cc1 ZINC000225459030 456083957 /nfs/dbraw/zinc/08/39/57/456083957.db2.gz PEBVGKLPXBILJI-UHFFFAOYSA-N 1 1 337.452 3.371 40 0 EGABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1ccccc1Cl)C2 ZINC000225493414 456087562 /nfs/dbraw/zinc/08/75/62/456087562.db2.gz GKPIHAZSWJMLCV-KRWDZBQOSA-N 1 1 345.874 3.246 40 0 biogenic,in-vitro EGABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000225493414 456087567 /nfs/dbraw/zinc/08/75/67/456087567.db2.gz GKPIHAZSWJMLCV-KRWDZBQOSA-N 1 1 345.874 3.246 40 0 biogenic,in-vitro EGABMO COC(C)(C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225599214 456097761 /nfs/dbraw/zinc/09/77/61/456097761.db2.gz YAXHWRACWMRLSQ-OAHLLOKOSA-N 1 1 334.460 3.161 40 0 EGABMO CSc1ccccc1C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000272901227 456106419 /nfs/dbraw/zinc/10/64/19/456106419.db2.gz JQZFJFIIPFYDMM-GFCCVEGCSA-N 1 1 332.391 3.004 40 0 EGABMO CSc1ccccc1C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000272901227 456106422 /nfs/dbraw/zinc/10/64/22/456106422.db2.gz JQZFJFIIPFYDMM-GFCCVEGCSA-N 1 1 332.391 3.004 40 0 EGABMO CC(=O)c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)o1 ZINC000582165492 459319623 /nfs/dbraw/zinc/31/96/23/459319623.db2.gz GUCZJZPIEYUAIV-OAHLLOKOSA-N 1 1 340.423 3.076 40 0 EGABMO CC(=O)c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)o1 ZINC000582165492 459319633 /nfs/dbraw/zinc/31/96/33/459319633.db2.gz GUCZJZPIEYUAIV-OAHLLOKOSA-N 1 1 340.423 3.076 40 0 EGABMO Cc1ccc(Cc2cccc([C@@H]3CCC[N@H+]3CC(=O)N(C)C)n2)cc1 ZINC000072357950 216166173 /nfs/dbraw/zinc/16/61/73/216166173.db2.gz RPGRTWLXGDLWBK-FQEVSTJZSA-N 1 1 337.467 3.206 40 0 EGABMO Cc1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3CC(=O)N(C)C)n2)cc1 ZINC000072357950 216166176 /nfs/dbraw/zinc/16/61/76/216166176.db2.gz RPGRTWLXGDLWBK-FQEVSTJZSA-N 1 1 337.467 3.206 40 0 EGABMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2)n1)N1CCCC1 ZINC000072357645 216163811 /nfs/dbraw/zinc/16/38/11/216163811.db2.gz AUEACICIJPWAQU-NRFANRHFSA-N 1 1 349.478 3.432 40 0 EGABMO O=C(C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2)n1)N1CCCC1 ZINC000072357645 216163813 /nfs/dbraw/zinc/16/38/13/216163813.db2.gz AUEACICIJPWAQU-NRFANRHFSA-N 1 1 349.478 3.432 40 0 EGABMO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cnc(C)nc2)n1 ZINC000072366767 216171473 /nfs/dbraw/zinc/17/14/73/216171473.db2.gz JPZGYFNAPIVDOE-GOSISDBHSA-N 1 1 348.454 3.265 40 0 EGABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cnc(C)nc2)n1 ZINC000072366767 216171478 /nfs/dbraw/zinc/17/14/78/216171478.db2.gz JPZGYFNAPIVDOE-GOSISDBHSA-N 1 1 348.454 3.265 40 0 EGABMO c1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377360 216178901 /nfs/dbraw/zinc/17/89/01/216178901.db2.gz WUQMAYOIKQRDIA-QGZVFWFLSA-N 1 1 332.411 3.347 40 0 EGABMO COc1ccc(C[N@H+]2CCOC[C@H](Cc3cccc(C)n3)C2)cc1 ZINC000072388191 216187679 /nfs/dbraw/zinc/18/76/79/216187679.db2.gz ASYYJQICAANLQD-GOSISDBHSA-N 1 1 326.440 3.090 40 0 EGABMO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC000193795032 240313531 /nfs/dbraw/zinc/31/35/31/240313531.db2.gz LSUJXAXSPSADQJ-QGZVFWFLSA-N 1 1 334.847 3.181 40 0 EGABMO COc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000021659739 212237600 /nfs/dbraw/zinc/23/76/00/212237600.db2.gz JLYZCKXGNNJCQJ-QGZVFWFLSA-N 1 1 328.412 3.245 40 0 EGABMO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000257222055 244188217 /nfs/dbraw/zinc/18/82/17/244188217.db2.gz DRRRGSRHBHZSMK-OAHLLOKOSA-N 1 1 337.427 3.141 40 0 EGABMO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1cc(-c2ncc[nH]2)nc(C)n1 ZINC000257233202 244219369 /nfs/dbraw/zinc/21/93/69/244219369.db2.gz GOFROWLXVKDFOQ-OAHLLOKOSA-N 1 1 340.456 3.277 40 0 EGABMO CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)c1 ZINC000257263627 244354559 /nfs/dbraw/zinc/35/45/59/244354559.db2.gz LQUPOFMJLOXSFC-MRXNPFEDSA-N 1 1 325.412 3.119 40 0 EGABMO Cc1noc(C)c1-c1ccnc(C2CC[NH+](Cc3ncc[nH]3)CC2)c1 ZINC000257278182 244399597 /nfs/dbraw/zinc/39/95/97/244399597.db2.gz OBEQYEPIYHUBQL-UHFFFAOYSA-N 1 1 337.427 3.456 40 0 EGABMO CNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2F)nc1C ZINC000019709312 212055717 /nfs/dbraw/zinc/05/57/17/212055717.db2.gz YCYQIMRFQZEQOV-GOSISDBHSA-N 1 1 327.403 3.226 40 0 EGABMO CNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2F)nc1C ZINC000019709312 212055720 /nfs/dbraw/zinc/05/57/20/212055720.db2.gz YCYQIMRFQZEQOV-GOSISDBHSA-N 1 1 327.403 3.226 40 0 EGABMO C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccc(F)cc1)C2 ZINC000019589008 212048960 /nfs/dbraw/zinc/04/89/60/212048960.db2.gz VXSDTEPEPHFGFW-LJQANCHMSA-N 1 1 340.446 3.331 40 0 EGABMO C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccc(F)cc1)C2 ZINC000019589008 212048962 /nfs/dbraw/zinc/04/89/62/212048962.db2.gz VXSDTEPEPHFGFW-LJQANCHMSA-N 1 1 340.446 3.331 40 0 EGABMO CN1CC[N@@H+](CC2CC2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589538 212048407 /nfs/dbraw/zinc/04/84/07/212048407.db2.gz ARBBWOWPBUEPTF-NRFANRHFSA-N 1 1 349.478 3.091 40 0 EGABMO CCc1[nH+]ccn1CCC(=O)N[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000019523646 212038102 /nfs/dbraw/zinc/03/81/02/212038102.db2.gz JMGKQADBLGLKNC-NRFANRHFSA-N 1 1 348.450 3.445 40 0 EGABMO CCc1[nH+]ccn1CC(=O)N[C@@H](Cc1ccsc1)c1nccs1 ZINC000019523520 212036339 /nfs/dbraw/zinc/03/63/39/212036339.db2.gz TUPKHNUIQWPFFS-ZDUSSCGKSA-N 1 1 346.481 3.064 40 0 EGABMO NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@@H+](CC2CC2)C1 ZINC000019374153 212024776 /nfs/dbraw/zinc/02/47/76/212024776.db2.gz OOEJUWXMGAYCDL-JOCHJYFZSA-N 1 1 334.463 3.484 40 0 EGABMO O[C@@H](C[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000019369323 212022204 /nfs/dbraw/zinc/02/22/04/212022204.db2.gz XBIUJADNHMADBP-IBGZPJMESA-N 1 1 330.859 3.191 40 0 EGABMO Cc1ncccc1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000078152639 217026383 /nfs/dbraw/zinc/02/63/83/217026383.db2.gz FLYQQHIWEMBVTA-GASCZTMLSA-N 1 1 339.439 3.252 40 0 EGABMO Cc1ncccc1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000078152639 217026386 /nfs/dbraw/zinc/02/63/86/217026386.db2.gz FLYQQHIWEMBVTA-GASCZTMLSA-N 1 1 339.439 3.252 40 0 EGABMO CCOCCCC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000078152403 217026758 /nfs/dbraw/zinc/02/67/58/217026758.db2.gz VWWPWKVDWMIFOC-IYBDPMFKSA-N 1 1 334.460 3.051 40 0 EGABMO CCOCCCC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000078152403 217026759 /nfs/dbraw/zinc/02/67/59/217026759.db2.gz VWWPWKVDWMIFOC-IYBDPMFKSA-N 1 1 334.460 3.051 40 0 EGABMO C[C@H]([NH2+]Cc1ccsc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000078553322 217075445 /nfs/dbraw/zinc/07/54/45/217075445.db2.gz CENACLUGCMNJGZ-AWEZNQCLSA-N 1 1 333.476 3.490 40 0 EGABMO CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CC=CCC2)[C@@H](c2ccc(OC)cc2)C1 ZINC000012241811 211327906 /nfs/dbraw/zinc/32/79/06/211327906.db2.gz DXNLEZMLMFJLPC-RLLQIKCJSA-N 1 1 342.483 3.346 40 0 EGABMO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2cccs2)c1 ZINC000009902931 211132196 /nfs/dbraw/zinc/13/21/96/211132196.db2.gz TYHWQAMFTDMYAS-KRWDZBQOSA-N 1 1 330.453 3.210 40 0 EGABMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)NCc2cccs2)c1 ZINC000009902931 211132202 /nfs/dbraw/zinc/13/22/02/211132202.db2.gz TYHWQAMFTDMYAS-KRWDZBQOSA-N 1 1 330.453 3.210 40 0 EGABMO CC1CCC([N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C[C@H]2CCCO2)CC1 ZINC000093666321 218240425 /nfs/dbraw/zinc/24/04/25/218240425.db2.gz JPNXGZINKGWZIM-VMWRSERWSA-N 1 1 347.503 3.276 40 0 EGABMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)C3=COCCC3)n2)C1 ZINC000095393239 218325033 /nfs/dbraw/zinc/32/50/33/218325033.db2.gz ZKYXDXZZKKBUTQ-BETUJISGSA-N 1 1 335.473 3.254 40 0 EGABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)C3=COCCC3)n2)C1 ZINC000095393239 218325034 /nfs/dbraw/zinc/32/50/34/218325034.db2.gz ZKYXDXZZKKBUTQ-BETUJISGSA-N 1 1 335.473 3.254 40 0 EGABMO C[C@@](O)(CNC1CC[NH+](CCc2ccccc2)CC1)c1ccsc1 ZINC000095423042 218365068 /nfs/dbraw/zinc/36/50/68/218365068.db2.gz AKIUXOLKOYKSIB-HXUWFJFHSA-N 1 1 344.524 3.252 40 0 EGABMO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000095422417 218365134 /nfs/dbraw/zinc/36/51/34/218365134.db2.gz CSBNZNDBMCHDNB-UWVGGRQHSA-N 1 1 340.420 3.246 40 0 EGABMO COCC[N@H+]1CCCC[C@@H]1c1cc(Nc2nccs2)nc(C)n1 ZINC000072382689 285014828 /nfs/dbraw/zinc/01/48/28/285014828.db2.gz VVPAYZIVBMTUFI-CQSZACIVSA-N 1 1 333.461 3.159 40 0 EGABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1ccc2ccccc2n1 ZINC000337175285 278063172 /nfs/dbraw/zinc/06/31/72/278063172.db2.gz HWCWLOIYPFHLAV-LJQANCHMSA-N 1 1 347.418 3.030 40 0 EGABMO Cn1c2ccccc2nc1[C@H]([NH2+]CCn1ccnc1)c1ccccc1 ZINC000125983065 323218030 /nfs/dbraw/zinc/21/80/30/323218030.db2.gz GLRPKXFQWIEWPP-LJQANCHMSA-N 1 1 331.423 3.149 40 0 EGABMO CC[C@H](C)n1ncc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC000390834269 324284103 /nfs/dbraw/zinc/28/41/03/324284103.db2.gz VNEACOCNSYRALB-WWTUQBGBSA-N 1 1 333.480 3.299 40 0 EGABMO OCc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000241634616 455268425 /nfs/dbraw/zinc/26/84/25/455268425.db2.gz PNVBZAOQMGVEQD-PMACEKPBSA-N 1 1 329.415 3.406 40 0 EGABMO CC(C)CC(=O)N1C[C@H]2CCC[N@H+](Cc3cnc(C(C)C)nc3)[C@H]2C1 ZINC000012188230 453349382 /nfs/dbraw/zinc/34/93/82/453349382.db2.gz IFUQHGSNPBJOCM-MSOLQXFVSA-N 1 1 344.503 3.069 40 0 EGABMO CC(C)CC(=O)N1C[C@H]2CCC[N@@H+](Cc3cnc(C(C)C)nc3)[C@H]2C1 ZINC000012188230 453349391 /nfs/dbraw/zinc/34/93/91/453349391.db2.gz IFUQHGSNPBJOCM-MSOLQXFVSA-N 1 1 344.503 3.069 40 0 EGABMO O=C(NC1CC[NH+](Cc2nc3ccccc3o2)CC1)c1ccccc1 ZINC000014708302 453542200 /nfs/dbraw/zinc/54/22/00/453542200.db2.gz JBFYPTVSQMTJIL-UHFFFAOYSA-N 1 1 335.407 3.222 40 0 EGABMO Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)[NH+](C)C)o1 ZINC000015860138 453587881 /nfs/dbraw/zinc/58/78/81/453587881.db2.gz BRPZTQOZRROYKS-INIZCTEOSA-N 1 1 330.428 3.003 40 0 EGABMO COc1ccc(C)cc1C[N@H+](C)[C@H](C)C(=O)NCc1cccs1 ZINC000016356067 453602457 /nfs/dbraw/zinc/60/24/57/453602457.db2.gz NXKDURQANRJDQT-CQSZACIVSA-N 1 1 332.469 3.202 40 0 EGABMO COc1ccc(C)cc1C[N@@H+](C)[C@H](C)C(=O)NCc1cccs1 ZINC000016356067 453602461 /nfs/dbraw/zinc/60/24/61/453602461.db2.gz NXKDURQANRJDQT-CQSZACIVSA-N 1 1 332.469 3.202 40 0 EGABMO COCC(=O)N1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@H+]2C ZINC000019711727 453658283 /nfs/dbraw/zinc/65/82/83/453658283.db2.gz ZJQLIXIHOLSRFR-DYXWJJEUSA-N 1 1 344.499 3.110 40 0 EGABMO CC[N@@H+](C)[C@H]1CN(C(=O)Cc2c(C)noc2C)C2(C1)CCCCC2 ZINC000019704845 453658776 /nfs/dbraw/zinc/65/87/76/453658776.db2.gz HVQJFNRZMNOEGT-MRXNPFEDSA-N 1 1 333.476 3.089 40 0 EGABMO c1ccc(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000022462544 453692750 /nfs/dbraw/zinc/69/27/50/453692750.db2.gz VHHKQPAMKPAGAC-QFIPXVFZSA-N 1 1 335.495 3.079 40 0 EGABMO COc1ccc(COC[C@@H](O)C[N@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000024829664 453749194 /nfs/dbraw/zinc/74/91/94/453749194.db2.gz JTPCBFNAABBCTR-HOCLYGCPSA-N 1 1 347.480 3.254 40 0 EGABMO COc1ccc(COC[C@H](O)C[N@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000024829667 453749213 /nfs/dbraw/zinc/74/92/13/453749213.db2.gz JTPCBFNAABBCTR-GOEBONIOSA-N 1 1 347.480 3.254 40 0 EGABMO Cc1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c(C(C)(C)C)c1 ZINC000026781093 453805693 /nfs/dbraw/zinc/80/56/93/453805693.db2.gz WQULKHFGSILLEC-ZACQAIPSSA-N 1 1 335.488 3.141 40 0 EGABMO COCC[N@@H+](CC1(c2ccc(Cl)cc2)CC1)C1CCN(C)CC1 ZINC000036743657 453931113 /nfs/dbraw/zinc/93/11/13/453931113.db2.gz FTXXQQXUFWOBOS-UHFFFAOYSA-N 1 1 336.907 3.414 40 0 EGABMO COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000245921147 455399540 /nfs/dbraw/zinc/39/95/40/455399540.db2.gz GZCPEZKKRYGDDM-OFQRWUPVSA-N 1 1 349.450 3.021 40 0 EGABMO Fc1cnc(N2CCC[C@]3(CC[N@@H+](Cc4ccsc4)C3)C2)nc1 ZINC000096047177 454269179 /nfs/dbraw/zinc/26/91/79/454269179.db2.gz SDZFJYWQEJANQT-QGZVFWFLSA-N 1 1 332.448 3.170 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)s1 ZINC000096048349 454270934 /nfs/dbraw/zinc/27/09/34/454270934.db2.gz FUAIWKUUBZCLAW-MAUKXSAKSA-N 1 1 344.484 3.082 40 0 EGABMO Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2cccs2)C3)nn1 ZINC000096048435 454271292 /nfs/dbraw/zinc/27/12/92/454271292.db2.gz AWXCJRFHAIIYDH-MAUKXSAKSA-N 1 1 344.484 3.082 40 0 EGABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccncc1)CC2 ZINC000096051584 454273046 /nfs/dbraw/zinc/27/30/46/454273046.db2.gz GUFRILJGXZFMLA-GOSISDBHSA-N 1 1 339.439 3.191 40 0 EGABMO Fc1ccc(CN2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096055151 454274353 /nfs/dbraw/zinc/27/43/53/454274353.db2.gz SKEOIBJYTBPYOI-QUCCMNQESA-N 1 1 344.405 3.302 40 0 EGABMO COc1cccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000072227767 454275692 /nfs/dbraw/zinc/27/56/92/454275692.db2.gz SUXURGATXKYYCX-GJZGRUSLSA-N 1 1 336.313 3.129 40 0 EGABMO Cn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096059859 454277011 /nfs/dbraw/zinc/27/70/11/454277011.db2.gz ILMGZBNVQLTEQC-QGZVFWFLSA-N 1 1 329.419 3.085 40 0 EGABMO Cn1cc2c(n1)[C@@H](COCC1CC1)C[N@H+](Cc1ccc(F)cc1)C2 ZINC000096059859 454277012 /nfs/dbraw/zinc/27/70/12/454277012.db2.gz ILMGZBNVQLTEQC-QGZVFWFLSA-N 1 1 329.419 3.085 40 0 EGABMO Cc1ccsc1C[N@H+]1Cc2c(cnn2C)[C@@H](COCC2CC2)C1 ZINC000096068277 454279089 /nfs/dbraw/zinc/27/90/89/454279089.db2.gz PXVWIJMSJRZZIZ-OAHLLOKOSA-N 1 1 331.485 3.316 40 0 EGABMO Cc1ccsc1C[N@@H+]1Cc2c(cnn2C)[C@@H](COCC2CC2)C1 ZINC000096068277 454279093 /nfs/dbraw/zinc/27/90/93/454279093.db2.gz PXVWIJMSJRZZIZ-OAHLLOKOSA-N 1 1 331.485 3.316 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]2OC)cc1 ZINC000096110236 454285563 /nfs/dbraw/zinc/28/55/63/454285563.db2.gz RYEDQNVICSMVBU-AZUAARDMSA-N 1 1 326.440 3.170 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)o1 ZINC000096110372 454285870 /nfs/dbraw/zinc/28/58/70/454285870.db2.gz MKFDHWQKFZFQNB-MOPGFXCFSA-N 1 1 328.412 3.043 40 0 EGABMO Cc1nc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccc(C)n2)cs1 ZINC000096184742 454299242 /nfs/dbraw/zinc/29/92/42/454299242.db2.gz PFTPJMUKBMQMGZ-ROUUACIJSA-N 1 1 328.485 3.004 40 0 EGABMO COC[C@@H]1C[N@H+](Cc2ccncc2)Cc2cn(CC3CCCC3)nc21 ZINC000096198181 454302598 /nfs/dbraw/zinc/30/25/98/454302598.db2.gz VKEPSTNVYNKEBE-IBGZPJMESA-N 1 1 340.471 3.214 40 0 EGABMO COC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2cn(CC3CCCC3)nc21 ZINC000096198181 454302604 /nfs/dbraw/zinc/30/26/04/454302604.db2.gz VKEPSTNVYNKEBE-IBGZPJMESA-N 1 1 340.471 3.214 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2cccs2)C[C@]12CCN(c1cccnc1)C2=O ZINC000096201738 454302972 /nfs/dbraw/zinc/30/29/72/454302972.db2.gz HZXBYNZMHKGJJZ-RDTXWAMCSA-N 1 1 327.453 3.018 40 0 EGABMO O=C1CCCN1[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccc(Cl)cc3)C2)C1 ZINC000096209553 454305387 /nfs/dbraw/zinc/30/53/87/454305387.db2.gz YMCAZBNQCWLKLZ-IEBWSBKVSA-N 1 1 348.874 3.086 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC000096226335 454308757 /nfs/dbraw/zinc/30/87/57/454308757.db2.gz RGEGLUMQYUBDQR-GOSISDBHSA-N 1 1 329.469 3.015 40 0 EGABMO c1csc(C[N@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC000096226335 454308762 /nfs/dbraw/zinc/30/87/62/454308762.db2.gz RGEGLUMQYUBDQR-GOSISDBHSA-N 1 1 329.469 3.015 40 0 EGABMO Cc1cccc(C[N@@H+]2CC[C@]23CCCN(Cc2nccs2)C3)n1 ZINC000096239477 454310063 /nfs/dbraw/zinc/31/00/63/454310063.db2.gz JTZKEDLVGAABQS-SFHVURJKSA-N 1 1 328.485 3.087 40 0 EGABMO Cc1cccc(C[N@H+]2CC[C@]23CCCN(Cc2nccs2)C3)n1 ZINC000096239477 454310068 /nfs/dbraw/zinc/31/00/68/454310068.db2.gz JTZKEDLVGAABQS-SFHVURJKSA-N 1 1 328.485 3.087 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC000096238570 454310621 /nfs/dbraw/zinc/31/06/21/454310621.db2.gz KYCFEHOLECRECM-HXUWFJFHSA-N 1 1 339.439 3.229 40 0 EGABMO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4ccccn4)C3)CC2=O)s1 ZINC000096239329 454310829 /nfs/dbraw/zinc/31/08/29/454310829.db2.gz LMBUHRUMMLSLSD-SFHVURJKSA-N 1 1 327.453 3.081 40 0 EGABMO Cc1cccc(C[N@@H+]2CC[C@@]23CCCN(Cc2nccs2)C3)n1 ZINC000096239476 454310869 /nfs/dbraw/zinc/31/08/69/454310869.db2.gz JTZKEDLVGAABQS-GOSISDBHSA-N 1 1 328.485 3.087 40 0 EGABMO Cc1cccc(C[N@H+]2CC[C@@]23CCCN(Cc2nccs2)C3)n1 ZINC000096239476 454310870 /nfs/dbraw/zinc/31/08/70/454310870.db2.gz JTZKEDLVGAABQS-GOSISDBHSA-N 1 1 328.485 3.087 40 0 EGABMO Cc1ccccc1C[N@H+]1C[C@H]2C[C@H](C(=O)Nc3ccccc3)[C@@H](C1)O2 ZINC000096253397 454313063 /nfs/dbraw/zinc/31/30/63/454313063.db2.gz MFMBUMXRSTZSOS-HSALFYBXSA-N 1 1 336.435 3.223 40 0 EGABMO CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NC2CCOCC2)o1 ZINC000096417456 454333405 /nfs/dbraw/zinc/33/34/05/454333405.db2.gz KKXGXNMWJRUVSR-KRWDZBQOSA-N 1 1 334.460 3.054 40 0 EGABMO CCc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NC2CCOCC2)o1 ZINC000096417456 454333408 /nfs/dbraw/zinc/33/34/08/454333408.db2.gz KKXGXNMWJRUVSR-KRWDZBQOSA-N 1 1 334.460 3.054 40 0 EGABMO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(=O)n3ccsc3n2)s1 ZINC000096424501 454338350 /nfs/dbraw/zinc/33/83/50/454338350.db2.gz IHVYAEADTULUIE-NSHDSACASA-N 1 1 348.497 3.276 40 0 EGABMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(=O)n3ccsc3n2)s1 ZINC000096424501 454338353 /nfs/dbraw/zinc/33/83/53/454338353.db2.gz IHVYAEADTULUIE-NSHDSACASA-N 1 1 348.497 3.276 40 0 EGABMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1(Cl)Cl ZINC000096432965 454343270 /nfs/dbraw/zinc/34/32/70/454343270.db2.gz BGFZCIWJHPROPP-GJZGRUSLSA-N 1 1 341.282 3.161 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CC=CCC2)C[C@H](C)O1 ZINC000061644675 454351628 /nfs/dbraw/zinc/35/16/28/454351628.db2.gz PSJNSYUHWJLTFE-FGTMMUONSA-N 1 1 342.483 3.268 40 0 EGABMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CC=CCC2)C[C@H](C)O1 ZINC000061644675 454351631 /nfs/dbraw/zinc/35/16/31/454351631.db2.gz PSJNSYUHWJLTFE-FGTMMUONSA-N 1 1 342.483 3.268 40 0 EGABMO C[N@H+](CC(=O)Nc1nncs1)C1c2ccccc2-c2ccccc21 ZINC000096448429 454354099 /nfs/dbraw/zinc/35/40/99/454354099.db2.gz PHUHQUMDEKRTTC-UHFFFAOYSA-N 1 1 336.420 3.178 40 0 EGABMO C[N@@H+](CC(=O)Nc1nncs1)C1c2ccccc2-c2ccccc21 ZINC000096448429 454354101 /nfs/dbraw/zinc/35/41/01/454354101.db2.gz PHUHQUMDEKRTTC-UHFFFAOYSA-N 1 1 336.420 3.178 40 0 EGABMO COc1ccc(CNc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1O ZINC000096482872 454365615 /nfs/dbraw/zinc/36/56/15/454365615.db2.gz BPYCHCVXCGMVFU-OAHLLOKOSA-N 1 1 342.439 3.406 40 0 EGABMO Cc1ncc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)s1 ZINC000096487665 454367284 /nfs/dbraw/zinc/36/72/84/454367284.db2.gz QRQGSWURJGRWAG-CQSZACIVSA-N 1 1 341.274 3.379 40 0 EGABMO Cc1ncc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)s1 ZINC000096487665 454367288 /nfs/dbraw/zinc/36/72/88/454367288.db2.gz QRQGSWURJGRWAG-CQSZACIVSA-N 1 1 341.274 3.379 40 0 EGABMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccco1 ZINC000097232239 454428963 /nfs/dbraw/zinc/42/89/63/454428963.db2.gz NFZAZTFUNYIKFF-ZBFHGGJFSA-N 1 1 327.428 3.150 40 0 EGABMO C[S@](=O)Cc1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000177724397 454896959 /nfs/dbraw/zinc/89/69/59/454896959.db2.gz IQROQMFFYTUFCQ-FYSMJZIKSA-N 1 1 348.512 3.158 40 0 EGABMO Cc1occc1CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179205627 455019633 /nfs/dbraw/zinc/01/96/33/455019633.db2.gz KASYQRUZOWDAJO-ZWKOTPCHSA-N 1 1 327.428 3.175 40 0 EGABMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000175336925 455439345 /nfs/dbraw/zinc/43/93/45/455439345.db2.gz DRVSYJOUTSNECA-LRDDRELGSA-N 1 1 340.389 3.442 40 0 EGABMO O=C(NCC[C@H]1C[N@H+](C2CCCC2)Cc2ccnn21)c1ccsc1 ZINC000247522544 455618220 /nfs/dbraw/zinc/61/82/20/455618220.db2.gz YBDIUDJQBLAKDM-INIZCTEOSA-N 1 1 344.484 3.064 40 0 EGABMO COc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2cccs2)cc1 ZINC000252516819 455819300 /nfs/dbraw/zinc/81/93/00/455819300.db2.gz XBOVYNUCTICSID-CZUORRHYSA-N 1 1 345.468 3.224 40 0 EGABMO CCCC[C@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000252537410 455820920 /nfs/dbraw/zinc/82/09/20/455820920.db2.gz LBPGTGXYRCEKLJ-DOTOQJQBSA-N 1 1 345.487 3.149 40 0 EGABMO O[C@H](C[C@H]1CCC[N@@H+]1Cc1ncnn1-c1ccccc1)c1ccccc1 ZINC000253396493 455838968 /nfs/dbraw/zinc/83/89/68/455838968.db2.gz HVDZCRJBEOHLHJ-WOJBJXKFSA-N 1 1 348.450 3.355 40 0 EGABMO O[C@H](C[C@H]1CCC[N@H+]1Cc1ncnn1-c1ccccc1)c1ccccc1 ZINC000253396493 455838974 /nfs/dbraw/zinc/83/89/74/455838974.db2.gz HVDZCRJBEOHLHJ-WOJBJXKFSA-N 1 1 348.450 3.355 40 0 EGABMO COc1ccc([C@H]2C[N@H+](Cc3cccs3)CCN2C(C)=O)cc1 ZINC000257281544 455881560 /nfs/dbraw/zinc/88/15/60/455881560.db2.gz OPSINGMFIIXHPB-GOSISDBHSA-N 1 1 330.453 3.162 40 0 EGABMO COc1ccc([C@H]2C[N@@H+](Cc3cccs3)CCN2C(C)=O)cc1 ZINC000257281544 455881564 /nfs/dbraw/zinc/88/15/64/455881564.db2.gz OPSINGMFIIXHPB-GOSISDBHSA-N 1 1 330.453 3.162 40 0 EGABMO c1cc(CC[C@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)ccn1 ZINC000257314364 455888745 /nfs/dbraw/zinc/88/87/45/455888745.db2.gz UWQCBSZTRZLFBI-LJQANCHMSA-N 1 1 337.471 3.069 40 0 EGABMO CNc1cc([C@H]2CCCN2C(=O)CCn2cc[nH+]c2C(C)C)ccn1 ZINC000257329687 455893641 /nfs/dbraw/zinc/89/36/41/455893641.db2.gz XLAXVIUPODAXLV-MRXNPFEDSA-N 1 1 341.459 3.197 40 0 EGABMO Cn1cncc1-c1cncc([C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000257332736 455894605 /nfs/dbraw/zinc/89/46/05/455894605.db2.gz XYLRQQGSOMSCLT-OAHLLOKOSA-N 1 1 325.460 3.389 40 0 EGABMO CCCN(C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000272565523 455996075 /nfs/dbraw/zinc/99/60/75/455996075.db2.gz SPZDANOFECWWNF-FUHWJXTLSA-N 1 1 329.488 3.481 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(C)cn2)cc1 ZINC000225458927 456084814 /nfs/dbraw/zinc/08/48/14/456084814.db2.gz FDDYDKXKBSEEPH-UHFFFAOYSA-N 1 1 337.452 3.371 40 0 EGABMO O=C1N(Cc2cncs2)C[C@@]12CCC[N@@H+](CC1CCCCC1)C2 ZINC000585099429 459822680 /nfs/dbraw/zinc/82/26/80/459822680.db2.gz IXCWJFIYBDIQLD-SFHVURJKSA-N 1 1 333.501 3.148 40 0 EGABMO Cc1noc(C)c1CN1C[C@]2(CCC[N@@H+](CC3CCCCC3)C2)C1=O ZINC000585099452 459823138 /nfs/dbraw/zinc/82/31/38/459823138.db2.gz KRQYETFKACPTCY-HXUWFJFHSA-N 1 1 345.487 3.296 40 0 EGABMO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@@H+](CC2CC2)CC3)cs1 ZINC000585100590 459823271 /nfs/dbraw/zinc/82/32/71/459823271.db2.gz OWCQZGSVVMNAIV-GOSISDBHSA-N 1 1 333.501 3.209 40 0 EGABMO C[C@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@@H+]1C1CCCC1 ZINC000585097161 459823310 /nfs/dbraw/zinc/82/33/10/459823310.db2.gz IDDBSYGTTNNDEA-LBPRGKRZSA-N 1 1 347.850 3.225 40 0 EGABMO C[C@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@H+]1C1CCCC1 ZINC000585097161 459823314 /nfs/dbraw/zinc/82/33/14/459823314.db2.gz IDDBSYGTTNNDEA-LBPRGKRZSA-N 1 1 347.850 3.225 40 0 EGABMO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@@H+](CC1CC1)CC2 ZINC000585099881 459823446 /nfs/dbraw/zinc/82/34/46/459823446.db2.gz OWDFBWHGJCCBKM-IBGZPJMESA-N 1 1 331.460 3.049 40 0 EGABMO CCCC[N@H+]1CCOC[C@@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585104174 459823753 /nfs/dbraw/zinc/82/37/53/459823753.db2.gz KARFDFLZSABCRA-XLIONFOSSA-N 1 1 330.472 3.099 40 0 EGABMO CCCC(CCC)[N@H+]1CCOC[C@](O)(COc2cccc(C)c2)C1 ZINC000585288115 459833413 /nfs/dbraw/zinc/83/34/13/459833413.db2.gz WOGDQMVGDMHTMW-FQEVSTJZSA-N 1 1 335.488 3.406 40 0 EGABMO O=C(c1ccc(Cl)s1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575607710 459980884 /nfs/dbraw/zinc/98/08/84/459980884.db2.gz ORZTXBMMQGVVTE-UHFFFAOYSA-N 1 1 344.933 3.445 40 0 EGABMO COCCn1ccnc1[C@H]1C[N@@H+](Cc2cccnc2)Cc2ccccc21 ZINC000306128488 547459814 /nfs/dbraw/zinc/45/98/14/547459814.db2.gz HBNDUEMRHWWPOW-FQEVSTJZSA-N 1 1 348.450 3.072 40 0 EGABMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(Br)cc1 ZINC000040107538 213266163 /nfs/dbraw/zinc/26/61/63/213266163.db2.gz UKWFRUVJIVUHII-GFCCVEGCSA-N 1 1 325.250 3.053 40 0 EGABMO C[C@H]1C[NH+](C[C@H](O)COc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000035052967 213005515 /nfs/dbraw/zinc/00/55/15/213005515.db2.gz DTGMJUIAYYICOP-LNLFQRSKSA-N 1 1 341.451 3.203 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)c1 ZINC000072355457 216164240 /nfs/dbraw/zinc/16/42/40/216164240.db2.gz UWECRXQFGCUGNT-SFHVURJKSA-N 1 1 333.439 3.350 40 0 EGABMO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](c2ccccc2C)C2CC2)C1 ZINC000230121486 242234151 /nfs/dbraw/zinc/23/41/51/242234151.db2.gz DKPQSDKITIUUOI-APWZRJJASA-N 1 1 329.488 3.429 40 0 EGABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)COc1ccc(Cl)cc1Cl)C2 ZINC000020607709 212153623 /nfs/dbraw/zinc/15/36/23/212153623.db2.gz CNHHVAAZAAYORM-YHWZYXNKSA-N 1 1 343.254 3.114 40 0 EGABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2sccc2C)n1 ZINC000257235511 244227329 /nfs/dbraw/zinc/22/73/29/244227329.db2.gz GYDYUOCRZIRACF-KRWDZBQOSA-N 1 1 329.469 3.425 40 0 EGABMO c1ncc(C[N@@H+]2CCC[C@@H](Cc3cccc(Nc4ccccn4)n3)C2)[nH]1 ZINC000257247996 244260531 /nfs/dbraw/zinc/26/05/31/244260531.db2.gz JBOSIGAWUTWZCX-INIZCTEOSA-N 1 1 348.454 3.398 40 0 EGABMO c1nc(C[N@H+]2CCC[C@@H](Cc3cccc(Nc4ccccn4)n3)C2)c[nH]1 ZINC000257247996 244260537 /nfs/dbraw/zinc/26/05/37/244260537.db2.gz JBOSIGAWUTWZCX-INIZCTEOSA-N 1 1 348.454 3.398 40 0 EGABMO c1nc(C[N@@H+]2CCC[C@@H](Cc3cccc(Nc4ccccn4)n3)C2)c[nH]1 ZINC000257247996 244260543 /nfs/dbraw/zinc/26/05/43/244260543.db2.gz JBOSIGAWUTWZCX-INIZCTEOSA-N 1 1 348.454 3.398 40 0 EGABMO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)no1 ZINC000019503683 212035068 /nfs/dbraw/zinc/03/50/68/212035068.db2.gz VTVSHGHHCBZGDF-OAHLLOKOSA-N 1 1 345.418 3.333 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cnn(Cc2ccc(F)cc2)c1 ZINC000019500970 212033746 /nfs/dbraw/zinc/03/37/46/212033746.db2.gz PZUMMVAOJBKZEQ-SFHVURJKSA-N 1 1 344.434 3.274 40 0 EGABMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2cccnc2)CC1 ZINC000078553367 217075555 /nfs/dbraw/zinc/07/55/55/217075555.db2.gz YEOKPVFJLSAFMU-MRXNPFEDSA-N 1 1 342.462 3.213 40 0 EGABMO CCO[C@H]1CCCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000079336495 217211259 /nfs/dbraw/zinc/21/12/59/217211259.db2.gz BMRRNBUDNBKPHC-IBGZPJMESA-N 1 1 330.472 3.312 40 0 EGABMO CCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000079354175 217214103 /nfs/dbraw/zinc/21/41/03/217214103.db2.gz FBPLIBPHGBXQDU-HOTGVXAUSA-N 1 1 338.517 3.076 40 0 EGABMO Cc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1-c1ncco1 ZINC000110702536 220058338 /nfs/dbraw/zinc/05/83/38/220058338.db2.gz XWBXTFFWTFBVKN-GDBMZVCRSA-N 1 1 340.427 3.350 40 0 EGABMO O=C(CC[N@@H+]1CCC[C@@H]1CCCO)Nc1cccc(C(F)(F)F)c1 ZINC000083173955 217521061 /nfs/dbraw/zinc/52/10/61/217521061.db2.gz ZMIDOHWKYVFNRZ-OAHLLOKOSA-N 1 1 344.377 3.271 40 0 EGABMO Brc1cccc(CSC2=NN/C(=C3\C=CC=[NH+]3)O2)c1 ZINC000009477853 211089182 /nfs/dbraw/zinc/08/91/82/211089182.db2.gz OACIIKZSIRFEQL-QXMHVHEDSA-N 1 1 336.214 3.383 40 0 EGABMO CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000008938779 211020214 /nfs/dbraw/zinc/02/02/14/211020214.db2.gz BQDFTDQDRJLVSK-UHFFFAOYSA-N 1 1 339.439 3.148 40 0 EGABMO [NH3+]Cc1nc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cs1 ZINC000095403591 218338310 /nfs/dbraw/zinc/33/83/10/218338310.db2.gz XIGFUUDIOBKOGV-UHFFFAOYSA-N 1 1 337.448 3.444 40 0 EGABMO CS(=O)(=O)CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCc2ccccc21 ZINC000095413944 218352032 /nfs/dbraw/zinc/35/20/32/218352032.db2.gz GMYMFWXGMSIVJE-MOPGFXCFSA-N 1 1 335.513 3.396 40 0 EGABMO CC(C)(C)c1ncc(/C=C/C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000096430655 218804431 /nfs/dbraw/zinc/80/44/31/218804431.db2.gz UFXKICQJXXQLDU-KTRBRXNASA-N 1 1 333.501 3.054 40 0 EGABMO COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC(C)C)cc1 ZINC000004886560 210311843 /nfs/dbraw/zinc/31/18/43/210311843.db2.gz PLZATTPCONYGHF-AYHJJNSGSA-N 1 1 330.472 3.467 40 0 EGABMO CC[C@H](C)[NH2+]C1=C2C=C([C@@H]3COc4ccccc4O3)S[C@H]2N=CN1 ZINC000004867402 210306195 /nfs/dbraw/zinc/30/61/95/210306195.db2.gz PPXWTWAXMMMNJH-ZQUVKOLYSA-N 1 1 343.452 3.228 40 0 EGABMO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1c1cc(C)[nH+]c(C)n1 ZINC000132818604 533400934 /nfs/dbraw/zinc/40/09/34/533400934.db2.gz QXQAOWYVAVUULN-INIZCTEOSA-N 1 1 340.427 3.018 40 0 EGABMO O=C1CC2(c3ccccc3-c3ccccc32)C(=O)N1C[NH+]1CCCCC1 ZINC000001866090 275016652 /nfs/dbraw/zinc/01/66/52/275016652.db2.gz MABXOFPLEZYJDA-UHFFFAOYSA-N 1 1 346.430 3.155 40 0 EGABMO O=C1N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)Nc2ccccc21 ZINC000072326853 275024517 /nfs/dbraw/zinc/02/45/17/275024517.db2.gz PURXELHQIVUYIF-HGHGUNKESA-N 1 1 333.435 3.080 40 0 EGABMO Cc1cc(Br)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000128188716 323218896 /nfs/dbraw/zinc/21/88/96/323218896.db2.gz IUHKUBUZPWRXPR-IUODEOHRSA-N 1 1 339.277 3.312 40 0 EGABMO CC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)C[C@@H]1C(=O)c1ccccc1 ZINC000001681672 452675302 /nfs/dbraw/zinc/67/53/02/452675302.db2.gz NFJIYNMGCOTJRP-CTNGQTDRSA-N 1 1 337.419 3.280 40 0 EGABMO O=CN1CCC[C@@H]2[C@H]3CC[C@@H]([C@@H]21)[C@H]1c2[nH]c4ccccc4c2CC[N@H+]31 ZINC000004026991 452790808 /nfs/dbraw/zinc/79/08/08/452790808.db2.gz VKPFCELVPNZDPK-VFNKJPDQSA-N 1 1 335.451 3.096 40 0 EGABMO O=CN1CCC[C@@H]2[C@H]3CC[C@@H]([C@@H]21)[C@H]1c2[nH]c4ccccc4c2CC[N@@H+]31 ZINC000004026991 452790813 /nfs/dbraw/zinc/79/08/13/452790813.db2.gz VKPFCELVPNZDPK-VFNKJPDQSA-N 1 1 335.451 3.096 40 0 EGABMO Cc1csc2nc(C[N@H+]3CCC[C@H]3c3cccs3)cc(=O)n12 ZINC000008036338 453152758 /nfs/dbraw/zinc/15/27/58/453152758.db2.gz HIQDNSKHYMPRPF-ZDUSSCGKSA-N 1 1 331.466 3.463 40 0 EGABMO Fc1cccc(C2([NH2+]Cc3cnc(N4CCCCC4)nc3)CC2)c1 ZINC000012238746 453351164 /nfs/dbraw/zinc/35/11/64/453351164.db2.gz AQANWMZEHLRTSS-UHFFFAOYSA-N 1 1 326.419 3.385 40 0 EGABMO C[N@H+]1CCc2cc(Br)c(O)cc2[C@H](c2ccc(N)cc2)C1 ZINC000013446580 453465230 /nfs/dbraw/zinc/46/52/30/453465230.db2.gz JJKVHQGSRGJOOG-HNNXBMFYSA-N 1 1 347.256 3.357 40 0 EGABMO COc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013547463 453470939 /nfs/dbraw/zinc/47/09/39/453470939.db2.gz YBYRZAMHBZDXOF-UHFFFAOYSA-N 1 1 326.465 3.189 40 0 EGABMO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3C3CCCCC3)n2)cc1 ZINC000015674683 453582394 /nfs/dbraw/zinc/58/23/94/453582394.db2.gz SSXNQUZLAXSEPW-WBVHZDCISA-N 1 1 343.427 3.186 40 0 biogenic,in-vitro EGABMO C[C@@H](Oc1ccccc1F)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000019079184 453653434 /nfs/dbraw/zinc/65/34/34/453653434.db2.gz WBKJLZWOACODHV-CRAIPNDOSA-N 1 1 342.414 3.108 40 0 EGABMO C[C@@H](Oc1ccccc1F)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000019079184 453653435 /nfs/dbraw/zinc/65/34/35/453653435.db2.gz WBKJLZWOACODHV-CRAIPNDOSA-N 1 1 342.414 3.108 40 0 EGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)cc(N)n2n1 ZINC000019129171 453654380 /nfs/dbraw/zinc/65/43/80/453654380.db2.gz PMVGHCOUYVTJGO-QGZVFWFLSA-N 1 1 335.455 3.042 40 0 EGABMO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000019237573 453655620 /nfs/dbraw/zinc/65/56/20/453655620.db2.gz PRBXNFMDAVTLIY-SFHVURJKSA-N 1 1 326.488 3.181 40 0 EGABMO CN(C)c1ccccc1C[N@@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000075720489 453922359 /nfs/dbraw/zinc/92/23/59/453922359.db2.gz OTZBVINEOVIXAW-SFHVURJKSA-N 1 1 339.487 3.408 40 0 EGABMO CN(C)c1ccccc1C[N@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000075720489 453922361 /nfs/dbraw/zinc/92/23/61/453922361.db2.gz OTZBVINEOVIXAW-SFHVURJKSA-N 1 1 339.487 3.408 40 0 EGABMO Cc1cccc(OCC[N@@H+](C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000057281407 454117572 /nfs/dbraw/zinc/11/75/72/454117572.db2.gz JOBGOMAVNAHMNA-HNNXBMFYSA-N 1 1 337.423 3.303 40 0 EGABMO Cc1cccc(OCC[N@H+](C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000057281407 454117575 /nfs/dbraw/zinc/11/75/75/454117575.db2.gz JOBGOMAVNAHMNA-HNNXBMFYSA-N 1 1 337.423 3.303 40 0 EGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCCOC2CCCC2)cc1 ZINC000044851331 454122348 /nfs/dbraw/zinc/12/23/48/454122348.db2.gz DLBGKCKSCUXUIJ-UHFFFAOYSA-N 1 1 341.455 3.319 40 0 EGABMO COc1ccc(CNC(=O)C[N@H+](C)[C@H](C)c2cccs2)cc1OC ZINC000044891781 454124434 /nfs/dbraw/zinc/12/44/34/454124434.db2.gz WQWRQQPEZLMBJY-CYBMUJFWSA-N 1 1 348.468 3.075 40 0 EGABMO COc1ccc(CNC(=O)C[N@@H+](C)[C@H](C)c2cccs2)cc1OC ZINC000044891781 454124436 /nfs/dbraw/zinc/12/44/36/454124436.db2.gz WQWRQQPEZLMBJY-CYBMUJFWSA-N 1 1 348.468 3.075 40 0 EGABMO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccccc3)[nH]2)cc1OCC ZINC000095534606 454230353 /nfs/dbraw/zinc/23/03/53/454230353.db2.gz ZDBRQMUZSKWHHJ-KRWDZBQOSA-N 1 1 338.411 3.317 40 0 EGABMO CCOc1cc([C@H]([NH3+])c2nnc(-c3ccccc3C)[nH]2)ccc1OC ZINC000095534430 454230612 /nfs/dbraw/zinc/23/06/12/454230612.db2.gz NVZNFYUFWKCBIS-KRWDZBQOSA-N 1 1 338.411 3.236 40 0 EGABMO Fc1cccnc1N[C@H]1CO[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096047636 454269851 /nfs/dbraw/zinc/26/98/51/454269851.db2.gz OSNRCXSBVAZSAT-PBHICJAKSA-N 1 1 333.432 3.128 40 0 EGABMO Cc1ccc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cccs2)C3)nn1 ZINC000096048436 454271716 /nfs/dbraw/zinc/27/17/16/454271716.db2.gz AWXCJRFHAIIYDH-QAPCUYQASA-N 1 1 344.484 3.082 40 0 EGABMO Fc1cccc(O[C@@H]2C[C@@H]3CN(Cc4cccs4)CC[N@H+]3C2)c1 ZINC000096055132 454273983 /nfs/dbraw/zinc/27/39/83/454273983.db2.gz DMCBCGNLDSUMOU-NVXWUHKLSA-N 1 1 332.444 3.225 40 0 EGABMO Fc1cccc(O[C@@H]2C[C@@H]3C[N@H+](Cc4cccs4)CCN3C2)c1 ZINC000096055132 454273987 /nfs/dbraw/zinc/27/39/87/454273987.db2.gz DMCBCGNLDSUMOU-NVXWUHKLSA-N 1 1 332.444 3.225 40 0 EGABMO Fc1cccc(O[C@@H]2C[C@@H]3C[N@@H+](Cc4cccs4)CCN3C2)c1 ZINC000096055132 454273989 /nfs/dbraw/zinc/27/39/89/454273989.db2.gz DMCBCGNLDSUMOU-NVXWUHKLSA-N 1 1 332.444 3.225 40 0 EGABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 ZINC000096056371 454274508 /nfs/dbraw/zinc/27/45/08/454274508.db2.gz HLNIKLLWBFJUPU-AQNXPRMDSA-N 1 1 344.430 3.283 40 0 EGABMO O=C(c1cccs1)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053897 454274960 /nfs/dbraw/zinc/27/49/60/454274960.db2.gz VZOJFFWUIFFCIS-GASCZTMLSA-N 1 1 330.428 3.091 40 0 EGABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Br)s1 ZINC000072227210 454275393 /nfs/dbraw/zinc/27/53/93/454275393.db2.gz DAHNTPKVQCCKJP-NWDGAFQWSA-N 1 1 341.205 3.065 40 0 EGABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]2CCCO[C@H]12 ZINC000096057139 454275424 /nfs/dbraw/zinc/27/54/24/454275424.db2.gz VVSWOLXPCYABEM-IPELMVKDSA-N 1 1 346.496 3.453 40 0 EGABMO Cc1cccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Br)cc2)c1 ZINC000072227413 454275705 /nfs/dbraw/zinc/27/57/05/454275705.db2.gz CAQDNOQPAMOWBN-CABCVRRESA-N 1 1 331.213 3.173 40 0 EGABMO COc1ccc(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)cc1 ZINC000096059022 454276740 /nfs/dbraw/zinc/27/67/40/454276740.db2.gz ZYBLTUFMJQXXKE-UHFFFAOYSA-N 1 1 341.455 3.224 40 0 EGABMO COc1ccc(C[N@H+]2CCCn3cnc(COCC4CC4)c3C2)cc1 ZINC000096059022 454276741 /nfs/dbraw/zinc/27/67/41/454276741.db2.gz ZYBLTUFMJQXXKE-UHFFFAOYSA-N 1 1 341.455 3.224 40 0 EGABMO Cc1ccsc1C[N@H+]1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096065958 454278375 /nfs/dbraw/zinc/27/83/75/454278375.db2.gz YTQDTYSOKXCLBZ-LMMKCTJWSA-N 1 1 344.480 3.400 40 0 EGABMO Cc1nc(COCc2cnc3n2CC[N@H+](C2CCC2)[C@@H]3C)cs1 ZINC000096109876 454286296 /nfs/dbraw/zinc/28/62/96/454286296.db2.gz SAHSHNFODACYOZ-GFCCVEGCSA-N 1 1 332.473 3.294 40 0 EGABMO Cc1nc(COCc2cnc3n2CC[N@@H+](C2CCC2)[C@@H]3C)cs1 ZINC000096109876 454286298 /nfs/dbraw/zinc/28/62/98/454286298.db2.gz SAHSHNFODACYOZ-GFCCVEGCSA-N 1 1 332.473 3.294 40 0 EGABMO FC(F)(F)c1[nH]c2ncccc2c1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000072393710 454294931 /nfs/dbraw/zinc/29/49/31/454294931.db2.gz HSECZTVICRJWBE-GFCCVEGCSA-N 1 1 338.377 3.252 40 0 EGABMO O=C(C1CC1)N1CCC2(CC[C@@H](COCC3CC3)[N@H+]2CC2CC2)CC1 ZINC000096207333 454303951 /nfs/dbraw/zinc/30/39/51/454303951.db2.gz NGZJBLHLYKWNRA-IBGZPJMESA-N 1 1 346.515 3.059 40 0 EGABMO CCOC[C@H]1CCC2(CCN(C(=O)c3ccc(C)s3)CC2)[N@H+]1C ZINC000096207229 454304268 /nfs/dbraw/zinc/30/42/68/454304268.db2.gz KWVTZLVIPTVART-OAHLLOKOSA-N 1 1 336.501 3.162 40 0 EGABMO CCOC[C@@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)[N@H+]1CC1CC1 ZINC000096208001 454304515 /nfs/dbraw/zinc/30/45/15/454304515.db2.gz HZUUCYAGGBLXEM-SFHVURJKSA-N 1 1 346.471 3.165 40 0 EGABMO COC[C@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)[N@H+]1CC1CC1 ZINC000096207189 454304602 /nfs/dbraw/zinc/30/46/02/454304602.db2.gz XURDFFNVSCRFHX-LJQANCHMSA-N 1 1 342.483 3.182 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccnc4)C3)C2)s1 ZINC000096239104 454310092 /nfs/dbraw/zinc/31/00/92/454310092.db2.gz RKMMRKHODKCLFT-GOSISDBHSA-N 1 1 327.453 3.081 40 0 EGABMO CC(C)[N@H+]1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC000096259834 454314680 /nfs/dbraw/zinc/31/46/80/454314680.db2.gz NXYPNWGJDOWSJU-UHFFFAOYSA-N 1 1 326.444 3.034 40 0 EGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC000047276230 454352320 /nfs/dbraw/zinc/35/23/20/454352320.db2.gz DCHSAMZKMXUJLS-UHFFFAOYSA-N 1 1 344.842 3.102 40 0 EGABMO C[C@@H]1C[C@H](CNC(=O)c2ccc(O)cc2F)C[N@H+]1Cc1ccccc1 ZINC000097100842 454406136 /nfs/dbraw/zinc/40/61/36/454406136.db2.gz ADKJFEHFRDJDMB-GDBMZVCRSA-N 1 1 342.414 3.172 40 0 EGABMO C/C(=C\c1ccccc1)C[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000121302981 454417736 /nfs/dbraw/zinc/41/77/36/454417736.db2.gz KNNMLICNXUXKLA-QJPKHSJYSA-N 1 1 326.444 3.160 40 0 EGABMO C/C(=C\c1ccccc1)C[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000121303139 454418369 /nfs/dbraw/zinc/41/83/69/454418369.db2.gz KNNMLICNXUXKLA-MDJJKAFGSA-N 1 1 326.444 3.160 40 0 EGABMO CC(C)S(=O)(=O)CCC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000097227777 454427176 /nfs/dbraw/zinc/42/71/76/454427176.db2.gz MQYOUZGSMFGFOA-UHFFFAOYSA-N 1 1 327.465 3.218 40 0 EGABMO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000118916137 455116114 /nfs/dbraw/zinc/11/61/14/455116114.db2.gz DHLGTTUFAHBXDS-QYLGYJGISA-N 1 1 345.527 3.357 40 0 EGABMO Cc1ccc(N2CCCN(c3cc[nH+]c4ccsc43)CC2)nn1 ZINC000192141877 455563558 /nfs/dbraw/zinc/56/35/58/455563558.db2.gz MNKUAGKPEGDUBX-UHFFFAOYSA-N 1 1 325.441 3.111 40 0 EGABMO Cc1cccc(CO[C@@H]2CSC3(C[NH+](Cc4ccncc4)C3)C2)n1 ZINC000247857563 455649743 /nfs/dbraw/zinc/64/97/43/455649743.db2.gz DLTPEQYOAVBWKK-SFHVURJKSA-N 1 1 341.480 3.062 40 0 EGABMO Cc1cccc(C[NH+]2CC3(C2)OCC[C@H]3COCc2ccccn2)c1 ZINC000247891176 455652837 /nfs/dbraw/zinc/65/28/37/455652837.db2.gz FTNVGJPNRYYNRK-IBGZPJMESA-N 1 1 338.451 3.198 40 0 EGABMO C[N@@H+](CCOC[C@H]1CCCO1)[C@H](c1ccccc1)c1ccccn1 ZINC000247999090 455668251 /nfs/dbraw/zinc/66/82/51/455668251.db2.gz NFDUSHVADZQGKA-UYAOXDASSA-N 1 1 326.440 3.298 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COCC2CCC2)C1 ZINC000251975329 455801208 /nfs/dbraw/zinc/80/12/08/455801208.db2.gz DGJMIOUXNXTKSN-UXHICEINSA-N 1 1 348.487 3.479 40 0 EGABMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3cccs3)[C@H](C)C2)s1 ZINC000253419198 455843139 /nfs/dbraw/zinc/84/31/39/455843139.db2.gz KNUSFRODRIGBHN-BXUZGUMPSA-N 1 1 335.498 3.153 40 0 EGABMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3cccs3)[C@H](C)C2)s1 ZINC000253419205 455843591 /nfs/dbraw/zinc/84/35/91/455843591.db2.gz KNUSFRODRIGBHN-RISCZKNCSA-N 1 1 335.498 3.153 40 0 EGABMO CCCn1nccc1-c1nccnc1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000257315391 455889174 /nfs/dbraw/zinc/88/91/74/455889174.db2.gz VBCSTIJJWHJSAU-MRXNPFEDSA-N 1 1 327.476 3.413 40 0 EGABMO CCC(=O)N1CC[C@H](N[C@@H](C[NH+]2CCC(C)CC2)c2cccs2)C1 ZINC000195560742 455984581 /nfs/dbraw/zinc/98/45/81/455984581.db2.gz REECEDYQQWGGIK-IRXDYDNUSA-N 1 1 349.544 3.122 40 0 EGABMO CC(=O)c1ccc(N2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)nc1 ZINC000225603858 456097011 /nfs/dbraw/zinc/09/70/11/456097011.db2.gz TZXUTZGUHGSCQN-OAHLLOKOSA-N 1 1 344.484 3.007 40 0 EGABMO c1cncc(-c2ccc3nc([C@@H]4CCC[N@H+](CC5CC5)C4)nn3c2)c1 ZINC000306135952 456567102 /nfs/dbraw/zinc/56/71/02/456567102.db2.gz PFBTYHUAGIAKTM-GOSISDBHSA-N 1 1 333.439 3.381 40 0 EGABMO c1coc(C[N@H+]2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 ZINC000306142534 456567938 /nfs/dbraw/zinc/56/79/38/456567938.db2.gz XCFWTVFCTJHADM-SFHVURJKSA-N 1 1 341.436 3.380 40 0 EGABMO Cc1cc(NC(=O)CC[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)no1 ZINC000329084023 456830168 /nfs/dbraw/zinc/83/01/68/456830168.db2.gz SZFUSWQLGQVIBL-KURKYZTESA-N 1 1 339.439 3.002 40 0 EGABMO O=C(c1cccc(F)c1)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408609781 457583507 /nfs/dbraw/zinc/58/35/07/457583507.db2.gz ORPMJTGUCZTKRA-HXUWFJFHSA-N 1 1 338.426 3.489 40 0 EGABMO CNC(=O)C[C@@H]1Cn2cccc2C[N@H+](Cc2cccc3ccccc32)C1 ZINC000585099127 459822665 /nfs/dbraw/zinc/82/26/65/459822665.db2.gz OCJRSNCGEDFZDR-KRWDZBQOSA-N 1 1 347.462 3.409 40 0 EGABMO CNC(=O)C[C@@H]1Cn2cccc2C[N@@H+](Cc2cccc3ccccc32)C1 ZINC000585099127 459822670 /nfs/dbraw/zinc/82/26/70/459822670.db2.gz OCJRSNCGEDFZDR-KRWDZBQOSA-N 1 1 347.462 3.409 40 0 EGABMO CC[C@@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2c(C)noc2C)CC1 ZINC000585099893 459822844 /nfs/dbraw/zinc/82/28/44/459822844.db2.gz VBTZSIZKKYLBQH-AUUYWEPGSA-N 1 1 333.476 3.437 40 0 EGABMO Cc1cccc(CO[C@H]2CSC3(C[NH+](Cc4ccoc4)C3)C2)n1 ZINC000585105323 459824898 /nfs/dbraw/zinc/82/48/98/459824898.db2.gz TXTVGFNAPUPXRL-QGZVFWFLSA-N 1 1 330.453 3.260 40 0 EGABMO Cc1ccccc1O[C@@H]1CCC[C@H](NCC[N@@H+](C)C2CCCC2)[C@H]1O ZINC000585289901 459833890 /nfs/dbraw/zinc/83/38/90/459833890.db2.gz WTXPJZHYKWOUFX-CEWLAPEOSA-N 1 1 346.515 3.120 40 0 EGABMO Cc1ccccc1O[C@@H]1CCC[C@H](NCC[N@H+](C)C2CCCC2)[C@H]1O ZINC000585289901 459833894 /nfs/dbraw/zinc/83/38/94/459833894.db2.gz WTXPJZHYKWOUFX-CEWLAPEOSA-N 1 1 346.515 3.120 40 0 EGABMO CCN1CC[NH+](Cc2ccc(CNC(=O)C3CCCCC3)cc2)CC1 ZINC000040115263 213268311 /nfs/dbraw/zinc/26/83/11/213268311.db2.gz UBOYOLYZXBJFQE-UHFFFAOYSA-N 1 1 343.515 3.021 40 0 EGABMO Cc1[nH+]ccn1-c1cccc(C2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000072378956 216180612 /nfs/dbraw/zinc/18/06/12/216180612.db2.gz BRNPXVXWHADFAQ-UHFFFAOYSA-N 1 1 338.455 3.472 40 0 EGABMO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CC[N@H+](C(C)C)C3)n2)n1 ZINC000072382390 216182461 /nfs/dbraw/zinc/18/24/61/216182461.db2.gz XXIVXUJICBYFMZ-HNNXBMFYSA-N 1 1 326.448 3.133 40 0 EGABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1cnc(C)n1C ZINC000022913602 212332299 /nfs/dbraw/zinc/33/22/99/212332299.db2.gz LMWNYAWYCYVLJM-INIZCTEOSA-N 1 1 332.517 3.277 40 0 EGABMO Cc1cccnc1NC(=S)NCCC[N@H+]1CCc2ccccc2C1 ZINC000225744247 242015455 /nfs/dbraw/zinc/01/54/55/242015455.db2.gz LTVVLYXHBBENTJ-UHFFFAOYSA-N 1 1 340.496 3.125 40 0 EGABMO COc1cccc(COC[C@H](O)C[N@H+]2CCc3sccc3[C@H]2C)c1 ZINC000245237838 243099782 /nfs/dbraw/zinc/09/97/82/243099782.db2.gz YYZCKVOFEQSCLK-GDBMZVCRSA-N 1 1 347.480 3.254 40 0 EGABMO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1-c1ncco1 ZINC000245344152 243103136 /nfs/dbraw/zinc/10/31/36/243103136.db2.gz XWBXTFFWTFBVKN-ZBFHGGJFSA-N 1 1 340.427 3.350 40 0 EGABMO Cc1ccsc1C[NH+]1CC2(C1)OCC[C@@H]2COCc1ccncc1 ZINC000253598775 244030971 /nfs/dbraw/zinc/03/09/71/244030971.db2.gz GYJFSJZQIOKPEB-QGZVFWFLSA-N 1 1 344.480 3.259 40 0 EGABMO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2F)ccn1 ZINC000257207188 244135432 /nfs/dbraw/zinc/13/54/32/244135432.db2.gz BGRZXCABHNOEQC-SFHVURJKSA-N 1 1 345.393 3.333 40 0 EGABMO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2F)ccn1 ZINC000257207188 244135440 /nfs/dbraw/zinc/13/54/40/244135440.db2.gz BGRZXCABHNOEQC-SFHVURJKSA-N 1 1 345.393 3.333 40 0 EGABMO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)ccn1 ZINC000257207611 244140197 /nfs/dbraw/zinc/14/01/97/244140197.db2.gz BIMDBGYENHMYRZ-LJQANCHMSA-N 1 1 345.393 3.333 40 0 EGABMO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)ccn1 ZINC000257207611 244140203 /nfs/dbraw/zinc/14/02/03/244140203.db2.gz BIMDBGYENHMYRZ-LJQANCHMSA-N 1 1 345.393 3.333 40 0 EGABMO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2n[nH]cc2C)cc1CO ZINC000257217489 244170366 /nfs/dbraw/zinc/17/03/66/244170366.db2.gz CZEGZQYWEJYOQC-QGZVFWFLSA-N 1 1 329.444 3.336 40 0 EGABMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2n[nH]cc2C)cc1CO ZINC000257217489 244170373 /nfs/dbraw/zinc/17/03/73/244170373.db2.gz CZEGZQYWEJYOQC-QGZVFWFLSA-N 1 1 329.444 3.336 40 0 EGABMO Cc1noc(C)c1-c1ccnc(C2CC[NH+](Cc3c[nH]cn3)CC2)c1 ZINC000257246803 244258139 /nfs/dbraw/zinc/25/81/39/244258139.db2.gz IVWWKRKZNLTAGY-UHFFFAOYSA-N 1 1 337.427 3.456 40 0 EGABMO c1ncc(C[N@@H+]2CCC[C@H](Cc3cccc(Nc4ccccn4)n3)C2)[nH]1 ZINC000257247997 244261217 /nfs/dbraw/zinc/26/12/17/244261217.db2.gz JBOSIGAWUTWZCX-MRXNPFEDSA-N 1 1 348.454 3.398 40 0 EGABMO c1nc(C[N@H+]2CCC[C@H](Cc3cccc(Nc4ccccn4)n3)C2)c[nH]1 ZINC000257247997 244261221 /nfs/dbraw/zinc/26/12/21/244261221.db2.gz JBOSIGAWUTWZCX-MRXNPFEDSA-N 1 1 348.454 3.398 40 0 EGABMO c1nc(C[N@@H+]2CCC[C@H](Cc3cccc(Nc4ccccn4)n3)C2)c[nH]1 ZINC000257247997 244261225 /nfs/dbraw/zinc/26/12/25/244261225.db2.gz JBOSIGAWUTWZCX-MRXNPFEDSA-N 1 1 348.454 3.398 40 0 EGABMO Cc1cc(N(C)C)cc([C@H]2CN(Cc3ccc(Cl)cn3)CCO2)[nH+]1 ZINC000257266081 244360516 /nfs/dbraw/zinc/36/05/16/244360516.db2.gz MBLSVTIYRFPIJR-GOSISDBHSA-N 1 1 346.862 3.078 40 0 EGABMO c1ncc(C[N@H+]2CCC[C@@H](c3ccnc(Nc4ccccn4)c3)C2)[nH]1 ZINC000257265440 244360788 /nfs/dbraw/zinc/36/07/88/244360788.db2.gz LYQWMSIWFKVYPQ-MRXNPFEDSA-N 1 1 334.427 3.323 40 0 EGABMO c1nc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4ccccn4)c3)C2)c[nH]1 ZINC000257265440 244360797 /nfs/dbraw/zinc/36/07/97/244360797.db2.gz LYQWMSIWFKVYPQ-MRXNPFEDSA-N 1 1 334.427 3.323 40 0 EGABMO c1nc(C[N@H+]2CCC[C@@H](c3ccnc(Nc4ccccn4)c3)C2)c[nH]1 ZINC000257265440 244360803 /nfs/dbraw/zinc/36/08/03/244360803.db2.gz LYQWMSIWFKVYPQ-MRXNPFEDSA-N 1 1 334.427 3.323 40 0 EGABMO C[N@@H+](Cc1ccnc(N2CCCC2)n1)Cc1cccc2ncccc12 ZINC000019586471 212048880 /nfs/dbraw/zinc/04/88/80/212048880.db2.gz YIHRUOAAKHRMLS-UHFFFAOYSA-N 1 1 333.439 3.257 40 0 EGABMO Cn1cccc1C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019291131 212012082 /nfs/dbraw/zinc/01/20/82/212012082.db2.gz QXPFQSGTSSMXDE-HNNXBMFYSA-N 1 1 345.830 3.424 40 0 EGABMO Cc1ncccc1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000078152641 217026582 /nfs/dbraw/zinc/02/65/82/217026582.db2.gz FLYQQHIWEMBVTA-HUUCEWRRSA-N 1 1 339.439 3.252 40 0 EGABMO Cc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2ccc(O)cc2)o1 ZINC000019216434 212005129 /nfs/dbraw/zinc/00/51/29/212005129.db2.gz BMGOXFKFULEJGC-UHFFFAOYSA-N 1 1 344.455 3.018 40 0 EGABMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000080127374 217281017 /nfs/dbraw/zinc/28/10/17/217281017.db2.gz SFSLXEHEVAEUIE-QWRGUYRKSA-N 1 1 345.306 3.072 40 0 EGABMO Cc1[nH+]ccn1Cc1ccc(NC(=O)c2ccc3c(c2)COCO3)cc1 ZINC000081339062 217385157 /nfs/dbraw/zinc/38/51/57/217385157.db2.gz BYUVWIAZTVPYLZ-UHFFFAOYSA-N 1 1 349.390 3.359 40 0 EGABMO O[C@]1(c2cccnc2)CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@@H]21 ZINC000012337145 211351128 /nfs/dbraw/zinc/35/11/28/211351128.db2.gz YHQYVBJFVDONSK-DCPHZVHLSA-N 1 1 344.405 3.480 40 0 EGABMO CCc1ncc(C[N@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012188837 211315592 /nfs/dbraw/zinc/31/55/92/211315592.db2.gz PBPMIVPPFLXIDI-LJQANCHMSA-N 1 1 329.419 3.052 40 0 EGABMO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CCC(C)CC2)CC1 ZINC000012113264 211292461 /nfs/dbraw/zinc/29/24/61/211292461.db2.gz SBPHWEOJGVEEMD-GOSISDBHSA-N 1 1 343.515 3.060 40 0 EGABMO CCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000005141808 210397657 /nfs/dbraw/zinc/39/76/57/210397657.db2.gz YYQWSSHRVKGXIT-HOJAQTOUSA-N 1 1 348.462 3.020 40 0 EGABMO CCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000005141808 210397660 /nfs/dbraw/zinc/39/76/60/210397660.db2.gz YYQWSSHRVKGXIT-HOJAQTOUSA-N 1 1 348.462 3.020 40 0 EGABMO CN1CC[N@H+](C2CCCCC2)C[C@@H](Cc2ccnc3cccnc23)C1 ZINC000257203459 277103719 /nfs/dbraw/zinc/10/37/19/277103719.db2.gz AQDIUEVXWJDGBS-KRWDZBQOSA-N 1 1 338.499 3.369 40 0 EGABMO C[C@H](O)[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CN(Cc1ccccc1)CC2 ZINC000219773584 278301151 /nfs/dbraw/zinc/30/11/51/278301151.db2.gz VYLVOHNDVSEGOP-UPZYVNNASA-N 1 1 336.479 3.220 40 0 EGABMO COc1cccc([C@@H](O)C(CN2CCCCC2)C[NH+]2CCCCC2)c1 ZINC000001689366 295315081 /nfs/dbraw/zinc/31/50/81/295315081.db2.gz SPYJJRZJIRIEIX-OAQYLSRUSA-N 1 1 346.515 3.317 40 0 EGABMO Cc1cc(NC(=O)N2CCC(OC3CCC3)CC2)cn2cc[nH+]c12 ZINC000333938348 308871566 /nfs/dbraw/zinc/87/15/66/308871566.db2.gz MHQUYUHYNIRXOM-UHFFFAOYSA-N 1 1 328.416 3.208 40 0 EGABMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)Cc1ncnn1C ZINC000185927646 455653998 /nfs/dbraw/zinc/65/39/98/455653998.db2.gz BUUNWGRVVBXUPI-ZDUSSCGKSA-N 1 1 337.265 3.031 40 0 EGABMO COc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OC ZINC000007274852 453053806 /nfs/dbraw/zinc/05/38/06/453053806.db2.gz QNDGKHZJXQCAFG-UHFFFAOYSA-N 1 1 337.217 3.151 40 0 EGABMO Cc1csc2nc(C[N@H+]3CCC[C@@H]3c3cccs3)cc(=O)n12 ZINC000008036337 453152632 /nfs/dbraw/zinc/15/26/32/453152632.db2.gz HIQDNSKHYMPRPF-CYBMUJFWSA-N 1 1 331.466 3.463 40 0 EGABMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1CO ZINC000012186921 453347779 /nfs/dbraw/zinc/34/77/79/453347779.db2.gz VTCBHWXSVKPTLJ-FQEVSTJZSA-N 1 1 341.451 3.369 40 0 EGABMO Cc1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1Cl ZINC000013965146 453496205 /nfs/dbraw/zinc/49/62/05/453496205.db2.gz YXSKZFMLSFQHLL-MRXNPFEDSA-N 1 1 339.867 3.127 40 0 EGABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@H+](C2CCCCC2)C1 ZINC000015674910 453581972 /nfs/dbraw/zinc/58/19/72/453581972.db2.gz MWYSCTIORWCNBL-CVEARBPZSA-N 1 1 331.391 3.316 40 0 biogenic,in-vitro EGABMO Cc1ccc(O[C@@H](C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC000015831484 453586404 /nfs/dbraw/zinc/58/64/04/453586404.db2.gz LMFVJPSUEMCQAI-RDJZCZTQSA-N 1 1 330.428 3.083 40 0 EGABMO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)[NH+](C)C)o1 ZINC000015860139 453587873 /nfs/dbraw/zinc/58/78/73/453587873.db2.gz BRPZTQOZRROYKS-MRXNPFEDSA-N 1 1 330.428 3.003 40 0 EGABMO Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)n1 ZINC000019712593 453659033 /nfs/dbraw/zinc/65/90/33/453659033.db2.gz URNANDJJANKHNZ-VWPQPMDRSA-N 1 1 349.478 3.417 40 0 EGABMO Cc1nc2ccc(Cl)cc2cc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000025137357 453760383 /nfs/dbraw/zinc/76/03/83/453760383.db2.gz FUNPKGQRBKANPX-UHFFFAOYSA-N 1 1 331.847 3.363 40 0 EGABMO CC[C@@H](CNC(=O)c1cccc(OC)c1)[N@H+]1CCc2ccccc2C1 ZINC000029909219 453832589 /nfs/dbraw/zinc/83/25/89/453832589.db2.gz HMRSOEDWUHJEBK-IBGZPJMESA-N 1 1 338.451 3.262 40 0 EGABMO O=c1c(C(F)(F)F)cccn1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000031814038 453855496 /nfs/dbraw/zinc/85/54/96/453855496.db2.gz VBORXNHMBJVLEZ-UHFFFAOYSA-N 1 1 327.693 3.217 40 0 EGABMO C[N@@H+](CC(=O)NCc1ccccn1)C1c2ccccc2-c2ccccc21 ZINC000081613606 453896259 /nfs/dbraw/zinc/89/62/59/453896259.db2.gz WQSIQCSJZZXOMN-UHFFFAOYSA-N 1 1 343.430 3.400 40 0 EGABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccncc3Cl)CC2)nc1 ZINC000081667411 453902705 /nfs/dbraw/zinc/90/27/05/453902705.db2.gz AKMYPGUMDVYLDL-UHFFFAOYSA-N 1 1 344.846 3.289 40 0 EGABMO COc1ccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1S(C)(=O)=O ZINC000075838100 453930514 /nfs/dbraw/zinc/93/05/14/453930514.db2.gz FMVVAXJPDSBDJY-KBMXLJTQSA-N 1 1 337.485 3.252 40 0 EGABMO COc1ccc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1S(C)(=O)=O ZINC000075838100 453930517 /nfs/dbraw/zinc/93/05/17/453930517.db2.gz FMVVAXJPDSBDJY-KBMXLJTQSA-N 1 1 337.485 3.252 40 0 EGABMO Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000076330235 453989541 /nfs/dbraw/zinc/98/95/41/453989541.db2.gz JLPTXEAUMNOSPG-AWEZNQCLSA-N 1 1 339.867 3.007 40 0 EGABMO COc1ccc(C[N@H+]2CCOC[C@H](OCc3ccccc3)C2)cc1 ZINC000085436026 454029039 /nfs/dbraw/zinc/02/90/39/454029039.db2.gz QSZSWTOFCYZUEZ-HXUWFJFHSA-N 1 1 327.424 3.113 40 0 biogenic,in-vitro EGABMO C[C@@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000085468199 454030008 /nfs/dbraw/zinc/03/00/08/454030008.db2.gz YSHFTKXIEHZZJP-GOSISDBHSA-N 1 1 349.563 3.221 40 0 EGABMO COc1ccc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044140411 454089833 /nfs/dbraw/zinc/08/98/33/454089833.db2.gz ZSHBSGJWZPFGLX-GASCZTMLSA-N 1 1 335.517 3.350 40 0 EGABMO COc1ccccc1C[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000057557924 454135571 /nfs/dbraw/zinc/13/55/71/454135571.db2.gz UZLHBRHJQKAQOQ-UHFFFAOYSA-N 1 1 338.329 3.442 40 0 EGABMO O=C(NCCC[NH+]1CCOCC1)Nc1ccc(-c2ccccc2)cc1 ZINC000071899267 454247922 /nfs/dbraw/zinc/24/79/22/454247922.db2.gz NRJGEVWOWVUGBT-UHFFFAOYSA-N 1 1 339.439 3.197 40 0 EGABMO Cc1ccsc1C[N@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041739 454266107 /nfs/dbraw/zinc/26/61/07/454266107.db2.gz QUAGYYYOCXMJKL-YQVWRLOYSA-N 1 1 344.480 3.400 40 0 EGABMO c1cc(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cs1 ZINC000096042154 454266370 /nfs/dbraw/zinc/26/63/70/454266370.db2.gz AKALTYJEWUODLN-OKZBNKHCSA-N 1 1 330.453 3.092 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cs1 ZINC000096042154 454266374 /nfs/dbraw/zinc/26/63/74/454266374.db2.gz AKALTYJEWUODLN-OKZBNKHCSA-N 1 1 330.453 3.092 40 0 EGABMO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](c4nnc(C)o4)[C@H]3C2)s1 ZINC000096043517 454267826 /nfs/dbraw/zinc/26/78/26/454267826.db2.gz AWBOMUKHNDCGEB-BZUAXINKSA-N 1 1 333.457 3.143 40 0 EGABMO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccco4)C3)C2)cc1 ZINC000096047601 454269471 /nfs/dbraw/zinc/26/94/71/454269471.db2.gz PLQCHCGIHJJJDF-LPHOPBHVSA-N 1 1 328.412 3.134 40 0 EGABMO O=C(c1cccnc1)N1CCC2(CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC000096046663 454269772 /nfs/dbraw/zinc/26/97/72/454269772.db2.gz LVCKURVREZOXCH-UHFFFAOYSA-N 1 1 341.480 3.271 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)o1 ZINC000096048248 454270987 /nfs/dbraw/zinc/27/09/87/454270987.db2.gz PABVQIWQFIOTEN-OALUTQOASA-N 1 1 328.412 3.186 40 0 EGABMO c1cc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cs1 ZINC000096055429 454274141 /nfs/dbraw/zinc/27/41/41/454274141.db2.gz QHWOBKKISRRGJY-YESZJQIVSA-N 1 1 330.453 3.202 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cs1 ZINC000096055429 454274145 /nfs/dbraw/zinc/27/41/45/454274145.db2.gz QHWOBKKISRRGJY-YESZJQIVSA-N 1 1 330.453 3.202 40 0 EGABMO COc1cccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000072227771 454276379 /nfs/dbraw/zinc/27/63/79/454276379.db2.gz WCJYOGMQYJECQY-GJZGRUSLSA-N 1 1 337.206 3.417 40 0 EGABMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cccnc2)[C@H]1Cc1ccccc1 ZINC000096061672 454276496 /nfs/dbraw/zinc/27/64/96/454276496.db2.gz FLKSYZBQQLQTDF-UXHICEINSA-N 1 1 337.467 3.248 40 0 EGABMO Fc1ccc(CN2CCn3cc(C[NH+]4CCCCC4)nc3C2)cc1 ZINC000096059404 454277198 /nfs/dbraw/zinc/27/71/98/454277198.db2.gz DTNCMRODEXDVCE-UHFFFAOYSA-N 1 1 328.435 3.024 40 0 EGABMO CC[NH+](CC)Cc1nc2c(o1)CN(C(=O)c1ccc3[nH]ccc3c1)C2 ZINC000096086749 454279949 /nfs/dbraw/zinc/27/99/49/454279949.db2.gz RBLKAXIBCOAJCL-UHFFFAOYSA-N 1 1 338.411 3.154 40 0 EGABMO Fc1cccnc1O[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccoc1)C2 ZINC000096107561 454284676 /nfs/dbraw/zinc/28/46/76/454284676.db2.gz LAGDVCHHNFDEHH-YJBOKZPZSA-N 1 1 332.375 3.016 40 0 EGABMO CCC(=O)N1CCC[C@@H]([N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C)C1 ZINC000072342505 454294829 /nfs/dbraw/zinc/29/48/29/454294829.db2.gz WZZBILPILIBLTG-GOEBONIOSA-N 1 1 346.471 3.024 40 0 EGABMO c1csc(C[N@@H+]2CC[C@@H]3O[C@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000096186125 454299037 /nfs/dbraw/zinc/29/90/37/454299037.db2.gz GDSUOLZXADNFFL-WDSOQIARSA-N 1 1 344.480 3.482 40 0 EGABMO c1c2ccccc2oc1-c1nnc2sc(C[NH+]3CCCC3)nn21 ZINC000096194069 454301355 /nfs/dbraw/zinc/30/13/55/454301355.db2.gz YGYZLMNPTMIOEZ-UHFFFAOYSA-N 1 1 325.397 3.195 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)s1 ZINC000096207723 454304329 /nfs/dbraw/zinc/30/43/29/454304329.db2.gz CJQWFPVXXVGBAI-KDOFPFPSSA-N 1 1 345.468 3.008 40 0 EGABMO Cc1noc(C)c1CN1CCC[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096215979 454305401 /nfs/dbraw/zinc/30/54/01/454305401.db2.gz NLQWLXFOUMHJBC-IBGZPJMESA-N 1 1 329.444 3.373 40 0 EGABMO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096215979 454305402 /nfs/dbraw/zinc/30/54/02/454305402.db2.gz NLQWLXFOUMHJBC-IBGZPJMESA-N 1 1 329.444 3.373 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096215979 454305404 /nfs/dbraw/zinc/30/54/04/454305404.db2.gz NLQWLXFOUMHJBC-IBGZPJMESA-N 1 1 329.444 3.373 40 0 EGABMO Cc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccncc4)C3)C2)n1 ZINC000096216146 454306017 /nfs/dbraw/zinc/30/60/17/454306017.db2.gz PDWXTBQEVLEPIE-OAQYLSRUSA-N 1 1 336.483 3.273 40 0 EGABMO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2)n1 ZINC000096216146 454306020 /nfs/dbraw/zinc/30/60/20/454306020.db2.gz PDWXTBQEVLEPIE-OAQYLSRUSA-N 1 1 336.483 3.273 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2)n1 ZINC000096216146 454306024 /nfs/dbraw/zinc/30/60/24/454306024.db2.gz PDWXTBQEVLEPIE-OAQYLSRUSA-N 1 1 336.483 3.273 40 0 EGABMO C[N@H+]1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)CC3=CCCCC3)C2)C1 ZINC000096215823 454306213 /nfs/dbraw/zinc/30/62/13/454306213.db2.gz RGEIHHGGNZAPQU-PZJWPPBQSA-N 1 1 346.515 3.084 40 0 EGABMO O=C(CC1CC1)N1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216463 454307488 /nfs/dbraw/zinc/30/74/88/454307488.db2.gz JBDFTOBZAFVNLU-OAQYLSRUSA-N 1 1 342.483 3.180 40 0 EGABMO FC1(F)CC[N@@H+](Cc2cccnc2)C[C@]12CCN(c1cccnc1)C2 ZINC000096239575 454309872 /nfs/dbraw/zinc/30/98/72/454309872.db2.gz PXUSBBMMXNOSFU-SFHVURJKSA-N 1 1 344.409 3.214 40 0 EGABMO O=C(c1cscn1)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC000096239483 454310892 /nfs/dbraw/zinc/31/08/92/454310892.db2.gz UMJRQTDYOQJPQO-SFHVURJKSA-N 1 1 345.443 3.163 40 0 EGABMO O=C(c1cscn1)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC000096239483 454310894 /nfs/dbraw/zinc/31/08/94/454310894.db2.gz UMJRQTDYOQJPQO-SFHVURJKSA-N 1 1 345.443 3.163 40 0 EGABMO CC(C)NC(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096241268 454312042 /nfs/dbraw/zinc/31/20/42/454312042.db2.gz FEEGXCIVAJOQOH-WBVHZDCISA-N 1 1 339.480 3.102 40 0 EGABMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)Nc1ccccc1)CCC2 ZINC000096259248 454312535 /nfs/dbraw/zinc/31/25/35/454312535.db2.gz IQWYVSJKEBWSKY-UHFFFAOYSA-N 1 1 341.459 3.161 40 0 EGABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)Nc1ccccc1)CCC2 ZINC000096259248 454312544 /nfs/dbraw/zinc/31/25/44/454312544.db2.gz IQWYVSJKEBWSKY-UHFFFAOYSA-N 1 1 341.459 3.161 40 0 EGABMO Cc1ccc(C(=O)N2CCN(c3cc[nH+]c4ccsc43)CC2)o1 ZINC000096429356 454341000 /nfs/dbraw/zinc/34/10/00/454341000.db2.gz ROHDVESKLCNRMW-UHFFFAOYSA-N 1 1 327.409 3.160 40 0 EGABMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3nn(C(C)C)cc3c2)C1 ZINC000096453151 454356309 /nfs/dbraw/zinc/35/63/09/454356309.db2.gz CAVONAIUTXODMQ-OAHLLOKOSA-N 1 1 343.475 3.423 40 0 EGABMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3nn(C(C)C)cc3c2)C1 ZINC000096453150 454356393 /nfs/dbraw/zinc/35/63/93/454356393.db2.gz CAVONAIUTXODMQ-HNNXBMFYSA-N 1 1 343.475 3.423 40 0 EGABMO O=C(NCc1ccccc1)C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000096453991 454357420 /nfs/dbraw/zinc/35/74/20/454357420.db2.gz MREDKXAVXKFCNI-UHFFFAOYSA-N 1 1 329.831 3.268 40 0 EGABMO CC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2COC)CC1 ZINC000091180741 454401427 /nfs/dbraw/zinc/40/14/27/454401427.db2.gz PYJPMGQBVJLHTI-UHFFFAOYSA-N 1 1 325.840 3.046 40 0 EGABMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C[C@H]2C=CCC2)C[C@H](C)O1 ZINC000048325806 454474366 /nfs/dbraw/zinc/47/43/66/454474366.db2.gz JWTXGYMGENZXQG-BZSNNMDCSA-N 1 1 342.483 3.268 40 0 EGABMO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000074314101 454561601 /nfs/dbraw/zinc/56/16/01/454561601.db2.gz SNWYGCSYIMNSDC-HNNXBMFYSA-N 1 1 338.436 3.294 40 0 EGABMO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1Cc1cccc2cccnc21 ZINC000074314101 454561606 /nfs/dbraw/zinc/56/16/06/454561606.db2.gz SNWYGCSYIMNSDC-HNNXBMFYSA-N 1 1 338.436 3.294 40 0 EGABMO COc1ccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4ccc(C)o4)C3)C2)cc1 ZINC000107728464 454770873 /nfs/dbraw/zinc/77/08/73/454770873.db2.gz RYDSDZICONIUEZ-YLJYHZDGSA-N 1 1 342.439 3.442 40 0 EGABMO Cc1cccc(COC[C@H]2C[N@@H+](CC3CCCC3)Cc3cncn32)n1 ZINC000247901820 455653773 /nfs/dbraw/zinc/65/37/73/455653773.db2.gz ZKIUXKWVYCGYQU-HXUWFJFHSA-N 1 1 340.471 3.350 40 0 EGABMO CC[C@@H](Cc1ccccc1Br)[N@H+](C)Cc1ncnn1C ZINC000185927646 455653992 /nfs/dbraw/zinc/65/39/92/455653992.db2.gz BUUNWGRVVBXUPI-ZDUSSCGKSA-N 1 1 337.265 3.031 40 0 EGABMO Cc1cccc(COC[C@@H]2C[N@@H+](CC3CCCC3)Cc3cncn32)n1 ZINC000247901815 455653986 /nfs/dbraw/zinc/65/39/86/455653986.db2.gz ZKIUXKWVYCGYQU-FQEVSTJZSA-N 1 1 340.471 3.350 40 0 EGABMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccccc1 ZINC000248341778 455705988 /nfs/dbraw/zinc/70/59/88/455705988.db2.gz ZTZWBICGABZDQN-MOPGFXCFSA-N 1 1 337.419 3.181 40 0 EGABMO OCC[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000248763063 455729245 /nfs/dbraw/zinc/72/92/45/455729245.db2.gz DWCYDJFNLYTUQD-YRPNKDGESA-N 1 1 340.467 3.488 40 0 EGABMO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](CCO[C@H]3CCCCO3)C2)n1 ZINC000248751856 455729712 /nfs/dbraw/zinc/72/97/12/455729712.db2.gz HCGTXHGQAXPDMT-HIFRSBDPSA-N 1 1 347.381 3.082 40 0 EGABMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000248995393 455741023 /nfs/dbraw/zinc/74/10/23/455741023.db2.gz ORCSFXHMEXVXFA-WBVHZDCISA-N 1 1 330.428 3.099 40 0 EGABMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CCC=CO1 ZINC000248995393 455741027 /nfs/dbraw/zinc/74/10/27/455741027.db2.gz ORCSFXHMEXVXFA-WBVHZDCISA-N 1 1 330.428 3.099 40 0 EGABMO CCn1cncc1C[N@H+]1C[C@@H]2CCC[C@@](O)(c3ccc(F)cc3)[C@H]2C1 ZINC000249701601 455768257 /nfs/dbraw/zinc/76/82/57/455768257.db2.gz YQYYLUYPHMUQTK-RYGJVYDSSA-N 1 1 343.446 3.162 40 0 EGABMO Cc1nnc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)s1 ZINC000253420252 455843322 /nfs/dbraw/zinc/84/33/22/455843322.db2.gz JUULFHSQFOADKD-CQSZACIVSA-N 1 1 340.456 3.011 40 0 EGABMO Cc1nnc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)s1 ZINC000253420252 455843326 /nfs/dbraw/zinc/84/33/26/455843326.db2.gz JUULFHSQFOADKD-CQSZACIVSA-N 1 1 340.456 3.011 40 0 EGABMO Cc1cccc(N2CCC(NC(=O)c3cc4ccccn4c3)CC2)[nH+]1 ZINC000253426194 455844998 /nfs/dbraw/zinc/84/49/98/455844998.db2.gz CZNXFAFKOFIMNX-UHFFFAOYSA-N 1 1 334.423 3.042 40 0 EGABMO C[C@H](C[S@](C)=O)[N@@H+](C)C1CC(c2ccc(Br)cc2)C1 ZINC000194482718 455848657 /nfs/dbraw/zinc/84/86/57/455848657.db2.gz CJCPVIKUBMXCIW-PBGHYWOFSA-N 1 1 344.318 3.394 40 0 EGABMO CCC(=O)N1CCC[C@H]([N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C)C1 ZINC000253589233 455853631 /nfs/dbraw/zinc/85/36/31/455853631.db2.gz WZZBILPILIBLTG-ZBFHGGJFSA-N 1 1 346.471 3.024 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@H](Cc3cnc(-c4ncc[nH]4)cn3)C2)n1 ZINC000257311697 455888730 /nfs/dbraw/zinc/88/87/30/455888730.db2.gz UKQRHTJNYNXITD-MRXNPFEDSA-N 1 1 348.454 3.025 40 0 EGABMO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@@H+](Cc3cnccn3)C2)n1 ZINC000257315821 455890574 /nfs/dbraw/zinc/89/05/74/455890574.db2.gz VCXFDIXJURHUBE-MRXNPFEDSA-N 1 1 349.438 3.208 40 0 EGABMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C)s2)nc1 ZINC000257316758 455891014 /nfs/dbraw/zinc/89/10/14/455891014.db2.gz VGVXCYPTJQPRPU-SFHVURJKSA-N 1 1 329.469 3.425 40 0 EGABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(NC)c2)cc1CO ZINC000257323487 455891286 /nfs/dbraw/zinc/89/12/86/455891286.db2.gz WKKGYEUJIVDCRU-GOSISDBHSA-N 1 1 341.455 3.351 40 0 EGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](C)COc2ccccc2)cc1 ZINC000225299237 456077311 /nfs/dbraw/zinc/07/73/11/456077311.db2.gz ODJLKARIBXSJHG-MRXNPFEDSA-N 1 1 349.434 3.437 40 0 EGABMO COc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1F ZINC000225390564 456080332 /nfs/dbraw/zinc/08/03/32/456080332.db2.gz KOQQDWCFPSRFQH-UHFFFAOYSA-N 1 1 339.370 3.258 40 0 EGABMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2noc(C(C)(C)C)n2)C1 ZINC000225604080 456097687 /nfs/dbraw/zinc/09/76/87/456097687.db2.gz RBFSUYAIJKNJNW-CYBMUJFWSA-N 1 1 349.504 3.090 40 0 EGABMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@H](C)C(C)(C)C)CC2)oc1C ZINC000363140863 457235998 /nfs/dbraw/zinc/23/59/98/457235998.db2.gz NWBIZEZINHOGJL-ZDUSSCGKSA-N 1 1 335.492 3.302 40 0 EGABMO FC(F)Oc1ccc([C@@H]2CN(c3[nH+]cnc4[nH]ccc43)CCO2)cc1 ZINC000369767031 457388784 /nfs/dbraw/zinc/38/87/84/457388784.db2.gz PNJVYEODGQHKQT-AWEZNQCLSA-N 1 1 346.337 3.137 40 0 EGABMO COCC[C@H]1Cn2cccc2C[N@@H+](CCOCc2ccccc2)C1 ZINC000585095280 459822421 /nfs/dbraw/zinc/82/24/21/459822421.db2.gz NEHAJNZZFINCEP-LJQANCHMSA-N 1 1 328.456 3.173 40 0 EGABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)CCC4)CC2)N1CCF ZINC000585100638 459822869 /nfs/dbraw/zinc/82/28/69/459822869.db2.gz RISMOFCEDNMNBB-NRFANRHFSA-N 1 1 344.474 3.492 40 0 EGABMO CCCC[N@H+]1CCOC[C@@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585104173 459823687 /nfs/dbraw/zinc/82/36/87/459823687.db2.gz KARFDFLZSABCRA-PXNSSMCTSA-N 1 1 330.472 3.099 40 0 EGABMO C[C@@H]1CCCN(C(=O)c2nc3c(o2)CC[N@H+](CC2CCCCC2)C3)C1 ZINC000585112179 459826365 /nfs/dbraw/zinc/82/63/65/459826365.db2.gz MMCPDSGRRJSAOJ-OAHLLOKOSA-N 1 1 345.487 3.485 40 0 EGABMO C[C@@H]1CCCN(C(=O)c2nc3c(o2)CC[N@@H+](CC2CCCCC2)C3)C1 ZINC000585112179 459826368 /nfs/dbraw/zinc/82/63/68/459826368.db2.gz MMCPDSGRRJSAOJ-OAHLLOKOSA-N 1 1 345.487 3.485 40 0 EGABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2CC[C@@H]3NC(=O)CCCC[C@H]32)CC1 ZINC000585284470 459832715 /nfs/dbraw/zinc/83/27/15/459832715.db2.gz SNGKCANXQPDIOO-MIALQEHNSA-N 1 1 336.520 3.087 40 0 EGABMO COc1ccc2ccccc2c1C[N@@H+]1CCO[C@H](c2nc(C)c[nH]2)C1 ZINC000257262710 537043054 /nfs/dbraw/zinc/04/30/54/537043054.db2.gz LMNCKUCFGMIHFL-IBGZPJMESA-N 1 1 337.423 3.453 40 0 EGABMO COc1ccc2ccccc2c1C[N@H+]1CCO[C@H](c2nc(C)c[nH]2)C1 ZINC000257262710 537043058 /nfs/dbraw/zinc/04/30/58/537043058.db2.gz LMNCKUCFGMIHFL-IBGZPJMESA-N 1 1 337.423 3.453 40 0 EGABMO Cc1ccnc(NC(=O)[C@]23CCC[C@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000901758904 1317472735 /nfs/dbraw/zinc/47/27/35/1317472735.db2.gz PNVYZINNTZLZOD-PXNSSMCTSA-N 1 1 336.439 3.026 40 0 EGABMO C[C@H](c1nccs1)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100191389 219094052 /nfs/dbraw/zinc/09/40/52/219094052.db2.gz IAIBPFGIVWSVBH-OLZOCXBDSA-N 1 1 325.478 3.441 40 0 EGABMO C[C@H](c1nccs1)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100191389 219094053 /nfs/dbraw/zinc/09/40/53/219094053.db2.gz IAIBPFGIVWSVBH-OLZOCXBDSA-N 1 1 325.478 3.441 40 0 EGABMO CC(C)c1ccc(OCCOC[C@@H](O)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000040373397 213293260 /nfs/dbraw/zinc/29/32/60/213293260.db2.gz BOHSPJRSQSIMAL-HKUYNNGSSA-N 1 1 335.488 3.298 40 0 EGABMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849961 213228856 /nfs/dbraw/zinc/22/88/56/213228856.db2.gz ZZCFEGLTZUPWMI-QGZVFWFLSA-N 1 1 343.858 3.263 40 0 EGABMO COC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038834557 213228937 /nfs/dbraw/zinc/22/89/37/213228937.db2.gz WRFIMHRLYCRKAK-UHFFFAOYSA-N 1 1 349.390 3.279 40 0 EGABMO Fc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)nc2c1 ZINC000035446606 213028078 /nfs/dbraw/zinc/02/80/78/213028078.db2.gz GTBXBMOUSKGGFW-ZDUSSCGKSA-N 1 1 339.370 3.420 40 0 biogenic,in-vitro EGABMO Fc1ccc2nc([C@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C3)[nH]c2c1 ZINC000035446606 213028081 /nfs/dbraw/zinc/02/80/81/213028081.db2.gz GTBXBMOUSKGGFW-ZDUSSCGKSA-N 1 1 339.370 3.420 40 0 biogenic,in-vitro EGABMO Fc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)[nH]c2c1 ZINC000035446606 213028083 /nfs/dbraw/zinc/02/80/83/213028083.db2.gz GTBXBMOUSKGGFW-ZDUSSCGKSA-N 1 1 339.370 3.420 40 0 biogenic,in-vitro EGABMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357953 216165905 /nfs/dbraw/zinc/16/59/05/216165905.db2.gz FOGZDHZAAFKKMW-IBGZPJMESA-N 1 1 341.430 3.037 40 0 EGABMO CN(C)C(=O)C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357953 216165908 /nfs/dbraw/zinc/16/59/08/216165908.db2.gz FOGZDHZAAFKKMW-IBGZPJMESA-N 1 1 341.430 3.037 40 0 EGABMO Cn1cncc1C[N@@H+]1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072363159 216170180 /nfs/dbraw/zinc/17/01/80/216170180.db2.gz HFIORAGFTLPXHM-INIZCTEOSA-N 1 1 349.438 3.382 40 0 EGABMO Cn1cncc1C[N@H+]1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072363159 216170184 /nfs/dbraw/zinc/17/01/84/216170184.db2.gz HFIORAGFTLPXHM-INIZCTEOSA-N 1 1 349.438 3.382 40 0 EGABMO CC(C)[N@H+]1CCC[C@@H](Cc2ccc(NCCc3ccncc3)nn2)C1 ZINC000072387418 216186652 /nfs/dbraw/zinc/18/66/52/216186652.db2.gz GEGZRBSURQTVPR-SFHVURJKSA-N 1 1 339.487 3.189 40 0 EGABMO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC000193795019 240312462 /nfs/dbraw/zinc/31/24/62/240312462.db2.gz LSUJXAXSPSADQJ-KRWDZBQOSA-N 1 1 334.847 3.181 40 0 EGABMO COc1cccc(C[N@@H+](C)CCC(=O)Nc2ccccc2OC)c1 ZINC000022198374 212281521 /nfs/dbraw/zinc/28/15/21/212281521.db2.gz XUWAJKJWGSGTDN-UHFFFAOYSA-N 1 1 328.412 3.164 40 0 EGABMO Cc1ncccc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000195562157 241012208 /nfs/dbraw/zinc/01/22/08/241012208.db2.gz GRQXVFIOODIXBH-GVDBMIGSSA-N 1 1 331.460 3.125 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000020489730 212138626 /nfs/dbraw/zinc/13/86/26/212138626.db2.gz USWJASOKKIYLJK-UHFFFAOYSA-N 1 1 349.434 3.493 40 0 EGABMO COc1ccccc1CNc1[nH]nc2nc([C@@H]3CCC[NH2+]C3)ccc21 ZINC000257202197 244121243 /nfs/dbraw/zinc/12/12/43/244121243.db2.gz AKVVGDUBWCBSNP-CYBMUJFWSA-N 1 1 337.427 3.046 40 0 EGABMO c1ccc(C[N@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000257209712 244146640 /nfs/dbraw/zinc/14/66/40/244146640.db2.gz BRPGTPNCEMQONR-KRWDZBQOSA-N 1 1 346.438 3.390 40 0 EGABMO Cc1cc(C[C@H]2COCC[N@H+](Cc3ccc(F)cc3Cl)C2)ncn1 ZINC000257222337 244189837 /nfs/dbraw/zinc/18/98/37/244189837.db2.gz DSWZFZQFQIFMNI-CQSZACIVSA-N 1 1 349.837 3.269 40 0 EGABMO Cc1cc(C[C@H]2COCC[N@@H+](Cc3ccc(F)cc3Cl)C2)ncn1 ZINC000257222337 244189844 /nfs/dbraw/zinc/18/98/44/244189844.db2.gz DSWZFZQFQIFMNI-CQSZACIVSA-N 1 1 349.837 3.269 40 0 EGABMO Cc1nc([C@]2(C)CCC[N@H+](C3CCN(C)CC3)C2)c2sccn12 ZINC000257243758 244250990 /nfs/dbraw/zinc/25/09/90/244250990.db2.gz IILHUFJRAIOJNO-GOSISDBHSA-N 1 1 332.517 3.152 40 0 EGABMO Cc1nc([C@]2(C)CCCN(C3CC[NH+](C)CC3)C2)c2sccn12 ZINC000257243758 244250997 /nfs/dbraw/zinc/25/09/97/244250997.db2.gz IILHUFJRAIOJNO-GOSISDBHSA-N 1 1 332.517 3.152 40 0 EGABMO Cn1c2ccccc2nc1C[N@@H+](C)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257239461 244237960 /nfs/dbraw/zinc/23/79/60/244237960.db2.gz HPIQLIQTYPMESY-MRXNPFEDSA-N 1 1 335.455 3.069 40 0 EGABMO C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccc(F)cc1)C2 ZINC000019589010 212049508 /nfs/dbraw/zinc/04/95/08/212049508.db2.gz VXSDTEPEPHFGFW-IBGZPJMESA-N 1 1 340.446 3.331 40 0 EGABMO C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccc(F)cc1)C2 ZINC000019589010 212049512 /nfs/dbraw/zinc/04/95/12/212049512.db2.gz VXSDTEPEPHFGFW-IBGZPJMESA-N 1 1 340.446 3.331 40 0 EGABMO C[N@@H+](CCc1ccccn1)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019586254 212048870 /nfs/dbraw/zinc/04/88/70/212048870.db2.gz SJMGRIDCMXNAMA-SFHVURJKSA-N 1 1 336.439 3.484 40 0 EGABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000019575272 212044904 /nfs/dbraw/zinc/04/49/04/212044904.db2.gz XNIGATOWDBZRCB-RBSFLKMASA-N 1 1 346.858 3.239 40 0 EGABMO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@H+](CC(C)(C)C)C[C@@H]12 ZINC000019528280 212039911 /nfs/dbraw/zinc/03/99/11/212039911.db2.gz GBCKXGHCOZSKOZ-UZLBHIALSA-N 1 1 328.456 3.082 40 0 EGABMO Fc1ccccc1C[N@H+]1C[C@H]2CCc3nnc(-c4cccnc4)n3[C@H]2C1 ZINC000019349477 212019923 /nfs/dbraw/zinc/01/99/23/212019923.db2.gz JQXHBNFCFXIBTH-AEFFLSMTSA-N 1 1 349.413 3.099 40 0 EGABMO O=C(NC1CC1)C1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000079353738 217213159 /nfs/dbraw/zinc/21/31/59/217213159.db2.gz NOUNJVUGYXZEBF-UHFFFAOYSA-N 1 1 329.831 3.383 40 0 EGABMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000092101837 218119485 /nfs/dbraw/zinc/11/94/85/218119485.db2.gz RPAWJIGAGCQHJT-ZDUSSCGKSA-N 1 1 346.805 3.242 40 0 EGABMO Cc1noc(C)c1C[NH2+]Cc1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000095410396 218347329 /nfs/dbraw/zinc/34/73/29/218347329.db2.gz YZURNTVCKKIJGP-KBPBESRZSA-N 1 1 329.444 3.195 40 0 EGABMO C[N@@H+]1CC[C@H](CNC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447595 218391963 /nfs/dbraw/zinc/39/19/63/218391963.db2.gz IMFXJHKTMHWXMM-WBMJQRKESA-N 1 1 336.794 3.495 40 0 EGABMO C[N@H+]1CC[C@H](CNC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447595 218391966 /nfs/dbraw/zinc/39/19/66/218391966.db2.gz IMFXJHKTMHWXMM-WBMJQRKESA-N 1 1 336.794 3.495 40 0 EGABMO O=C1N[C@@]2(CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)Nc2ccccc21 ZINC000072326852 275024558 /nfs/dbraw/zinc/02/45/58/275024558.db2.gz PURXELHQIVUYIF-YRISNDGFSA-N 1 1 333.435 3.080 40 0 EGABMO CCc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)s1 ZINC000570833394 317114773 /nfs/dbraw/zinc/11/47/73/317114773.db2.gz WKNIFFQLCOBSMO-SFHVURJKSA-N 1 1 328.481 3.244 40 0 EGABMO CS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000195531805 455980716 /nfs/dbraw/zinc/98/07/16/455980716.db2.gz PQZVUHZHPRKMHH-FRRDWIJNSA-N 1 1 338.439 3.003 40 0 EGABMO C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)C1 ZINC000012239986 453351755 /nfs/dbraw/zinc/35/17/55/453351755.db2.gz VTPOIGCASOIQLF-MGPUTAFESA-N 1 1 342.483 3.141 40 0 EGABMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCOc1ccccc1Cl ZINC000012798786 453406757 /nfs/dbraw/zinc/40/67/57/453406757.db2.gz FMCQZKMHRPYTNY-GDBMZVCRSA-N 1 1 338.879 3.346 40 0 EGABMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCOc1ccccc1Cl ZINC000012798786 453406763 /nfs/dbraw/zinc/40/67/63/453406763.db2.gz FMCQZKMHRPYTNY-GDBMZVCRSA-N 1 1 338.879 3.346 40 0 EGABMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)C1CCCCC1 ZINC000015256846 453563861 /nfs/dbraw/zinc/56/38/61/453563861.db2.gz JZKMUDOUBSGEQA-AWEZNQCLSA-N 1 1 329.444 3.015 40 0 EGABMO Cc1[nH+]ccn1CCCNC(=O)c1cccc(N2CCCCC2)c1 ZINC000019288153 453655486 /nfs/dbraw/zinc/65/54/86/453655486.db2.gz NCIUAWDWGPPIFF-UHFFFAOYSA-N 1 1 326.444 3.002 40 0 EGABMO CC(C)[C@@H](CNC(=O)c1ccccc1O)[N@H+]1CCc2ccccc2C1 ZINC000025535954 453777124 /nfs/dbraw/zinc/77/71/24/453777124.db2.gz LQQVUQKZXPVABE-LJQANCHMSA-N 1 1 338.451 3.205 40 0 EGABMO CC(C)[C@H](CNC(=O)c1ccccc1O)[N@H+]1CCc2ccccc2C1 ZINC000025535961 453777344 /nfs/dbraw/zinc/77/73/44/453777344.db2.gz LQQVUQKZXPVABE-IBGZPJMESA-N 1 1 338.451 3.205 40 0 EGABMO Cc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c(C(C)(C)C)c1 ZINC000026781090 453805568 /nfs/dbraw/zinc/80/55/68/453805568.db2.gz WQULKHFGSILLEC-BRWVUGGUSA-N 1 1 335.488 3.141 40 0 EGABMO CN(C)C(=O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000026882570 453807359 /nfs/dbraw/zinc/80/73/59/453807359.db2.gz LZLPVTAWLIBTIJ-UHFFFAOYSA-N 1 1 348.450 3.059 40 0 EGABMO CN(C)C(=O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000026882570 453807362 /nfs/dbraw/zinc/80/73/62/453807362.db2.gz LZLPVTAWLIBTIJ-UHFFFAOYSA-N 1 1 348.450 3.059 40 0 EGABMO O=C(Cc1ccccc1Cl)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029837822 453831893 /nfs/dbraw/zinc/83/18/93/453831893.db2.gz ZMRBYQFMMBDCHM-UHFFFAOYSA-N 1 1 342.870 3.447 40 0 EGABMO COc1ccccc1/C=C/C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000032902650 453895834 /nfs/dbraw/zinc/89/58/34/453895834.db2.gz YBGIARAHTFCMJO-BUHFOSPRSA-N 1 1 338.451 3.347 40 0 EGABMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3Cl)CC2)s1 ZINC000081669242 453902923 /nfs/dbraw/zinc/90/29/23/453902923.db2.gz JZUFQMZULDZDLF-UHFFFAOYSA-N 1 1 349.887 3.499 40 0 EGABMO Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000077547216 454120821 /nfs/dbraw/zinc/12/08/21/454120821.db2.gz RNYNJFLDWADMMG-JKSUJKDBSA-N 1 1 332.835 3.090 40 0 EGABMO Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCC3)C2)no1 ZINC000096040329 454266713 /nfs/dbraw/zinc/26/67/13/454266713.db2.gz PPFGYKQFKWYHOX-RBUKOAKNSA-N 1 1 334.460 3.171 40 0 EGABMO Cc1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCC3)C2)no1 ZINC000096040329 454266718 /nfs/dbraw/zinc/26/67/18/454266718.db2.gz PPFGYKQFKWYHOX-RBUKOAKNSA-N 1 1 334.460 3.171 40 0 EGABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cnn(C)c2)C3)s1 ZINC000096046985 454270499 /nfs/dbraw/zinc/27/04/99/454270499.db2.gz XSOSRKVNXVUZJU-IBGZPJMESA-N 1 1 344.528 3.278 40 0 EGABMO Cc1nc(CN2C[C@]3(CC[N@@H+](Cc4ccsc4)C3)CC2=O)cs1 ZINC000096050901 454273148 /nfs/dbraw/zinc/27/31/48/454273148.db2.gz XGQZDSITFLDCJM-QGZVFWFLSA-N 1 1 347.509 3.138 40 0 EGABMO CC[NH+]1CCN(C(=O)c2cc(C(C)(C)C)cc(Cl)c2OC)CC1 ZINC000072206604 454274036 /nfs/dbraw/zinc/27/40/36/454274036.db2.gz CNPYXQKYLMYANC-UHFFFAOYSA-N 1 1 338.879 3.424 40 0 EGABMO COc1ccc(CN2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053874 454274066 /nfs/dbraw/zinc/27/40/66/454274066.db2.gz LIKPMNUTMQLPQJ-OALUTQOASA-N 1 1 340.442 3.398 40 0 EGABMO CCc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000072227319 454275168 /nfs/dbraw/zinc/27/51/68/454275168.db2.gz UFTCAVAACXWUNJ-HOTGVXAUSA-N 1 1 345.240 3.427 40 0 EGABMO [NH3+][C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1F ZINC000072227316 454275381 /nfs/dbraw/zinc/27/53/81/454275381.db2.gz APKJQAKURPCHJC-ZIAGYGMSSA-N 1 1 335.176 3.003 40 0 EGABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000072227321 454275472 /nfs/dbraw/zinc/27/54/72/454275472.db2.gz UFTCAVAACXWUNJ-CVEARBPZSA-N 1 1 345.240 3.427 40 0 EGABMO C[C@H]1C[N@@H+](Cc2cccs2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061276 454277231 /nfs/dbraw/zinc/27/72/31/454277231.db2.gz XAOWZDGOHRQSMX-POZUXBRTSA-N 1 1 348.512 3.034 40 0 EGABMO Cc1ccsc1C[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096107598 454284822 /nfs/dbraw/zinc/28/48/22/454284822.db2.gz SUMYWSDMHSVCDH-WMZOPIPTSA-N 1 1 330.453 3.264 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3O[C@H](COCc4ccncc4)CC[C@@H]32)co1 ZINC000096186152 454299427 /nfs/dbraw/zinc/29/94/27/454299427.db2.gz ZXKGSZSEHGEIEV-FHWLQOOXSA-N 1 1 328.412 3.013 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3O[C@H](COCc4ccncc4)CC[C@@H]32)cs1 ZINC000096186153 454299554 /nfs/dbraw/zinc/29/95/54/454299554.db2.gz JBADOEOVJJLYAY-FHWLQOOXSA-N 1 1 344.480 3.482 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4ccncc4)CC[C@@H]32)cs1 ZINC000096186778 454300143 /nfs/dbraw/zinc/30/01/43/454300143.db2.gz JBADOEOVJJLYAY-QYZOEREBSA-N 1 1 344.480 3.482 40 0 EGABMO Cc1cccc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)n1 ZINC000096200783 454302730 /nfs/dbraw/zinc/30/27/30/454302730.db2.gz IAQNIIYCRLVKOE-SFTDATJTSA-N 1 1 337.467 3.397 40 0 EGABMO Cc1nc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)cs1 ZINC000096199593 454302949 /nfs/dbraw/zinc/30/29/49/454302949.db2.gz MHHPCDIROYXKRJ-KRWDZBQOSA-N 1 1 341.480 3.090 40 0 EGABMO Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(c2nncs2)C3)cc1 ZINC000096217159 454307002 /nfs/dbraw/zinc/30/70/02/454307002.db2.gz KTEWRSQAFFUMLU-QGZVFWFLSA-N 1 1 332.448 3.170 40 0 EGABMO CSC[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000096413102 454330722 /nfs/dbraw/zinc/33/07/22/454330722.db2.gz VYGMZARSVNQRPU-MIGBEJBISA-N 1 1 347.528 3.233 40 0 EGABMO Cc1[nH+]ccn1CCCC(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000096417127 454333534 /nfs/dbraw/zinc/33/35/34/454333534.db2.gz JYHRCAROZNYTFZ-UHFFFAOYSA-N 1 1 331.847 3.473 40 0 EGABMO Cc1n[nH]c(C)c1NC(=O)C[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000096424535 454338527 /nfs/dbraw/zinc/33/85/27/454338527.db2.gz WMDMAJYNGQALOV-UHFFFAOYSA-N 1 1 330.432 3.393 40 0 EGABMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000096424535 454338531 /nfs/dbraw/zinc/33/85/31/454338531.db2.gz WMDMAJYNGQALOV-UHFFFAOYSA-N 1 1 330.432 3.393 40 0 EGABMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1 ZINC000096453145 454356224 /nfs/dbraw/zinc/35/62/24/454356224.db2.gz QONWZPGPJARJKS-MRXNPFEDSA-N 1 1 332.492 3.337 40 0 EGABMO c1cnn(-c2ccccc2CNc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000096482760 454365301 /nfs/dbraw/zinc/36/53/01/454365301.db2.gz YFYSQVONXZPVPK-UHFFFAOYSA-N 1 1 348.450 3.317 40 0 EGABMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Nc1c(F)cc(F)cc1Cl ZINC000096487574 454367517 /nfs/dbraw/zinc/36/75/17/454367517.db2.gz FDJVTCHRMWLIHS-RNCFNFMXSA-N 1 1 331.794 3.422 40 0 EGABMO COc1ccccc1N1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cn2)C1=O ZINC000096490242 454368711 /nfs/dbraw/zinc/36/87/11/454368711.db2.gz DKEFOMJGIYSATH-CJNGLKHVSA-N 1 1 343.402 3.076 40 0 EGABMO Cc1cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n[nH]1 ZINC000096496346 454370468 /nfs/dbraw/zinc/37/04/68/454370468.db2.gz SMDVHYZFFMIAQH-JATKITJMSA-N 1 1 348.491 3.169 40 0 EGABMO CC[N@H+](CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O)C1CC1 ZINC000097120146 454413302 /nfs/dbraw/zinc/41/33/02/454413302.db2.gz OBVYAKPPUZNLEJ-UHFFFAOYSA-N 1 1 335.492 3.345 40 0 EGABMO CC[N@@H+](CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O)C1CC1 ZINC000097120146 454413305 /nfs/dbraw/zinc/41/33/05/454413305.db2.gz OBVYAKPPUZNLEJ-UHFFFAOYSA-N 1 1 335.492 3.345 40 0 EGABMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC1(Cl)Cl ZINC000110632666 454850285 /nfs/dbraw/zinc/85/02/85/454850285.db2.gz BGFZCIWJHPROPP-HUUCEWRRSA-N 1 1 341.282 3.161 40 0 EGABMO O[C@H](COCc1ccco1)C[N@H+]1CCc2sccc2[C@H]1C1CC1 ZINC000245237583 455281619 /nfs/dbraw/zinc/28/16/19/455281619.db2.gz OPXFGKBQAYKWLB-KBXCAEBGSA-N 1 1 333.453 3.228 40 0 EGABMO COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@@](O)(c3ccccn3)[C@H]2C1 ZINC000247906338 455653898 /nfs/dbraw/zinc/65/38/98/455653898.db2.gz KEIJZPQCLZFUQA-MDKPJZGXSA-N 1 1 338.451 3.128 40 0 EGABMO Cc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2COCc1ccncc1 ZINC000248131817 455685684 /nfs/dbraw/zinc/68/56/84/455685684.db2.gz BFPODVMZNURSTM-HXUWFJFHSA-N 1 1 338.451 3.198 40 0 EGABMO Cc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2COCc1ccccn1 ZINC000248156065 455689935 /nfs/dbraw/zinc/68/99/35/455689935.db2.gz MAYGPDQQTSZWIM-LJQANCHMSA-N 1 1 338.451 3.198 40 0 EGABMO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(Br)cs1 ZINC000194071931 455799479 /nfs/dbraw/zinc/79/94/79/455799479.db2.gz NNZHCIGRMSOXCV-WPRPVWTQSA-N 1 1 327.251 3.288 40 0 EGABMO O=C(N[C@H](c1ccccc1)C1CCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252486573 455810645 /nfs/dbraw/zinc/81/06/45/455810645.db2.gz LRJSMPHHHRJMHW-CEXWTWQISA-N 1 1 327.472 3.454 40 0 EGABMO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000253392362 455837130 /nfs/dbraw/zinc/83/71/30/455837130.db2.gz HIDAAGLTELPLOI-IRXDYDNUSA-N 1 1 346.450 3.260 40 0 EGABMO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000253392362 455837135 /nfs/dbraw/zinc/83/71/35/455837135.db2.gz HIDAAGLTELPLOI-IRXDYDNUSA-N 1 1 346.450 3.260 40 0 EGABMO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000253392359 455837432 /nfs/dbraw/zinc/83/74/32/455837432.db2.gz HIDAAGLTELPLOI-DLBZAZTESA-N 1 1 346.450 3.260 40 0 EGABMO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000253392359 455837437 /nfs/dbraw/zinc/83/74/37/455837437.db2.gz HIDAAGLTELPLOI-DLBZAZTESA-N 1 1 346.450 3.260 40 0 EGABMO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ncnn1-c1ccccc1)c1ccccc1 ZINC000253396490 455839177 /nfs/dbraw/zinc/83/91/77/455839177.db2.gz HVDZCRJBEOHLHJ-VQTJNVASSA-N 1 1 348.450 3.355 40 0 EGABMO O[C@H](C[C@@H]1CCC[N@H+]1Cc1ncnn1-c1ccccc1)c1ccccc1 ZINC000253396490 455839178 /nfs/dbraw/zinc/83/91/78/455839178.db2.gz HVDZCRJBEOHLHJ-VQTJNVASSA-N 1 1 348.450 3.355 40 0 EGABMO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000253418515 455843058 /nfs/dbraw/zinc/84/30/58/455843058.db2.gz SISXWYHCAQGLEF-GSEOLPGOSA-N 1 1 344.499 3.097 40 0 EGABMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccsc3)[C@H](C)C2)s1 ZINC000253420350 455843380 /nfs/dbraw/zinc/84/33/80/455843380.db2.gz WMAIVLFPQZWZTA-ABAIWWIYSA-N 1 1 335.498 3.153 40 0 EGABMO C[N@@H+](CC(=O)Nc1nccs1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000253426779 455845619 /nfs/dbraw/zinc/84/56/19/455845619.db2.gz AYKHGFVGHFGOJI-GJZGRUSLSA-N 1 1 349.431 3.073 40 0 EGABMO Cc1ccc(C(=O)N2CCCC[C@H]3[C@@H]2[C@H](c2ccccc2)C[N@@H+]3C)cn1 ZINC000257261934 455880853 /nfs/dbraw/zinc/88/08/53/455880853.db2.gz LJJBYEOCZWVPOG-ACRUOGEOSA-N 1 1 349.478 3.483 40 0 EGABMO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2CCc2ccncc2)cc1 ZINC000257319783 455890835 /nfs/dbraw/zinc/89/08/35/455890835.db2.gz VUAHBJUZCGFFPT-SFHVURJKSA-N 1 1 344.480 3.082 40 0 EGABMO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]2CCc2ccncc2)cc1 ZINC000257319783 455890839 /nfs/dbraw/zinc/89/08/39/455890839.db2.gz VUAHBJUZCGFFPT-SFHVURJKSA-N 1 1 344.480 3.082 40 0 EGABMO Cc1cc2ccccc2n1CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@@H+]2C ZINC000257332071 455894691 /nfs/dbraw/zinc/89/46/91/455894691.db2.gz XVQKLMVFTARWIP-RTBURBONSA-N 1 1 325.456 3.035 40 0 EGABMO c1cncc(-c2ccc3nc([C@H]4CCC[N@H+](CC5CC5)C4)nn3c2)c1 ZINC000306135953 456568342 /nfs/dbraw/zinc/56/83/42/456568342.db2.gz PFBTYHUAGIAKTM-SFHVURJKSA-N 1 1 333.439 3.381 40 0 EGABMO CCOc1ccccc1C(=O)N1CCC[C@]2(CC[N@H+]2CC(C)C)C1 ZINC000585101856 459824168 /nfs/dbraw/zinc/82/41/68/459824168.db2.gz JGHPGRVUPHISOI-FQEVSTJZSA-N 1 1 330.472 3.422 40 0 EGABMO Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)s1 ZINC000648055799 461962111 /nfs/dbraw/zinc/96/21/11/461962111.db2.gz YGARPOQNDCWWPQ-SFHVURJKSA-N 1 1 326.465 3.262 40 0 EGABMO Cc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)s1 ZINC000648055799 461962114 /nfs/dbraw/zinc/96/21/14/461962114.db2.gz YGARPOQNDCWWPQ-SFHVURJKSA-N 1 1 326.465 3.262 40 0 EGABMO CC(=O)N[C@H]1CCCC[C@]12C[N@@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CCO2 ZINC000306132258 547460705 /nfs/dbraw/zinc/46/07/05/547460705.db2.gz LDAAOGODECCYJB-IWFBPKFRSA-N 1 1 346.515 3.129 40 0 EGABMO C[C@H](NC(=O)N1CCSCC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189866697 299115774 /nfs/dbraw/zinc/11/57/74/299115774.db2.gz VBHPEOIHMOPGNC-HRCADAONSA-N 1 1 339.549 3.176 40 0 EGABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000072324603 216151513 /nfs/dbraw/zinc/15/15/13/216151513.db2.gz YCFCRGCODZFDGT-SUMWQHHRSA-N 1 1 330.863 3.399 40 0 EGABMO CC(C)[N@H+]1CCC[C@H](Cc2ccc(NCc3cccnc3)nn2)C1 ZINC000072365781 216172174 /nfs/dbraw/zinc/17/21/74/216172174.db2.gz LSYBJOBBACGCKT-MRXNPFEDSA-N 1 1 325.460 3.147 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(F)cc1CNC(=O)c1ccncc1Cl ZINC000072912876 216327014 /nfs/dbraw/zinc/32/70/14/216327014.db2.gz VKUXMHDDQSHKER-UHFFFAOYSA-N 1 1 344.777 3.298 40 0 EGABMO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000257200559 244118308 /nfs/dbraw/zinc/11/83/08/244118308.db2.gz ADUGZBWIGODWDW-CYBMUJFWSA-N 1 1 340.456 3.011 40 0 EGABMO C[N@H+](CCOc1ccccc1)Cc1cnc([C@H]2CCCCO2)nc1 ZINC000257209048 244142911 /nfs/dbraw/zinc/14/29/11/244142911.db2.gz BOTJDBVRXJDCMT-GOSISDBHSA-N 1 1 327.428 3.229 40 0 EGABMO C[N@@H+](CCOc1ccccc1)Cc1cnc([C@H]2CCCCO2)nc1 ZINC000257209048 244142916 /nfs/dbraw/zinc/14/29/16/244142916.db2.gz BOTJDBVRXJDCMT-GOSISDBHSA-N 1 1 327.428 3.229 40 0 EGABMO COc1ccccc1[C@H]1C[N@H+](Cc2cccs2)CCN1C(C)=O ZINC000257215428 244164181 /nfs/dbraw/zinc/16/41/81/244164181.db2.gz CQBDWVDNHNBQSB-QGZVFWFLSA-N 1 1 330.453 3.162 40 0 EGABMO COc1ccccc1[C@H]1C[N@@H+](Cc2cccs2)CCN1C(C)=O ZINC000257215428 244164190 /nfs/dbraw/zinc/16/41/90/244164190.db2.gz CQBDWVDNHNBQSB-QGZVFWFLSA-N 1 1 330.453 3.162 40 0 EGABMO C[N@H+]1CCCC[C@@H]2N(C(=O)COc3ccc(F)cc3)CCC[C@@]21C ZINC000257214847 244164718 /nfs/dbraw/zinc/16/47/18/244164718.db2.gz CNRFKKOKSRINGG-HKUYNNGSSA-N 1 1 334.435 3.070 40 0 EGABMO COc1ccc2cc(C[N@@H+]3CCO[C@H](c4nc(C)c[nH]4)C3)ccc2c1 ZINC000257247683 244261612 /nfs/dbraw/zinc/26/16/12/244261612.db2.gz JAAUYQKDZBWWKO-IBGZPJMESA-N 1 1 337.423 3.453 40 0 EGABMO COc1ccc2cc(C[N@H+]3CCO[C@H](c4nc(C)c[nH]4)C3)ccc2c1 ZINC000257247683 244261615 /nfs/dbraw/zinc/26/16/15/244261615.db2.gz JAAUYQKDZBWWKO-IBGZPJMESA-N 1 1 337.423 3.453 40 0 EGABMO C[C@]12C[C@@H](Cc3ccccc3)[N@@H+](Cc3ccccn3)[C@H]1CCCC(=O)N2 ZINC000257250746 244268089 /nfs/dbraw/zinc/26/80/89/244268089.db2.gz JNWGWHRIISGQOE-URVUXULASA-N 1 1 349.478 3.326 40 0 EGABMO CNc1ncccc1C[N@@H+]1CCCC[C@H]1c1cc(C)n2nccc2n1 ZINC000257273857 244385684 /nfs/dbraw/zinc/38/56/84/244385684.db2.gz NINHXZGWGXKIIV-KRWDZBQOSA-N 1 1 336.443 3.202 40 0 EGABMO CNc1ncccc1C[N@H+]1CCCC[C@H]1c1cc(C)n2nccc2n1 ZINC000257273857 244385690 /nfs/dbraw/zinc/38/56/90/244385690.db2.gz NINHXZGWGXKIIV-KRWDZBQOSA-N 1 1 336.443 3.202 40 0 EGABMO c1nn(C2CCCCC2)cc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000019658121 212054935 /nfs/dbraw/zinc/05/49/35/212054935.db2.gz CBHBKRJIVSPYAS-UHFFFAOYSA-N 1 1 341.459 3.222 40 0 EGABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000019575060 212045550 /nfs/dbraw/zinc/04/55/50/212045550.db2.gz YCFCRGCODZFDGT-CXAGYDPISA-N 1 1 330.863 3.399 40 0 EGABMO COc1ccc(F)c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2CCSC)c1 ZINC000019551689 212041092 /nfs/dbraw/zinc/04/10/92/212041092.db2.gz WMSGUDCYXJKLHL-JKSUJKDBSA-N 1 1 338.492 3.236 40 0 EGABMO CCc1ccc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)o1 ZINC000019522919 212037193 /nfs/dbraw/zinc/03/71/93/212037193.db2.gz MNORGWWSWVOCMK-CQSZACIVSA-N 1 1 339.443 3.155 40 0 EGABMO CCc1[nH+]ccn1CC(=O)N[C@H](Cc1ccsc1)c1nccs1 ZINC000019523521 212036510 /nfs/dbraw/zinc/03/65/10/212036510.db2.gz TUPKHNUIQWPFFS-CYBMUJFWSA-N 1 1 346.481 3.064 40 0 EGABMO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000019503706 212035838 /nfs/dbraw/zinc/03/58/38/212035838.db2.gz JCJLIKIFQALMAC-MRXNPFEDSA-N 1 1 327.428 3.194 40 0 EGABMO CCc1ccc(C(=O)NCC2CC[NH+](Cc3csc(C)n3)CC2)o1 ZINC000078917433 217147115 /nfs/dbraw/zinc/14/71/15/217147115.db2.gz BEXMNTSJRMNJFL-UHFFFAOYSA-N 1 1 347.484 3.249 40 0 EGABMO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000080127384 217280322 /nfs/dbraw/zinc/28/03/22/217280322.db2.gz SFSLXEHEVAEUIE-GHMZBOCLSA-N 1 1 345.306 3.072 40 0 EGABMO CCNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1 ZINC000012481432 211392375 /nfs/dbraw/zinc/39/23/75/211392375.db2.gz BPTSFPVJQRVUEH-AYHJJNSGSA-N 1 1 331.529 3.365 40 0 EGABMO c1cnc(OC2CCCCC2)c(-c2noc(C[NH+]3CCCC3)n2)c1 ZINC000012365409 211357847 /nfs/dbraw/zinc/35/78/47/211357847.db2.gz QMXJAMKXHCKLDT-UHFFFAOYSA-N 1 1 328.416 3.439 40 0 EGABMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000010413543 211170752 /nfs/dbraw/zinc/17/07/52/211170752.db2.gz IICZFXWZERQZIS-UHFFFAOYSA-N 1 1 339.439 3.435 40 0 EGABMO O=C(NC[C@H]1OCCc2sccc21)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000096452106 218835019 /nfs/dbraw/zinc/83/50/19/218835019.db2.gz KSSKTVGDDGZSGT-WMLDXEAASA-N 1 1 348.512 3.133 40 0 EGABMO COc1ccc([C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1 ZINC000181196282 533208676 /nfs/dbraw/zinc/20/86/76/533208676.db2.gz VKHUQIBJYLAYHA-INIZCTEOSA-N 1 1 338.455 3.489 40 0 EGABMO COc1ccc([C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)cc1 ZINC000181196282 533208684 /nfs/dbraw/zinc/20/86/84/533208684.db2.gz VKHUQIBJYLAYHA-INIZCTEOSA-N 1 1 338.455 3.489 40 0 EGABMO CC[C@@H]1[N@@H+](Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052439 287312736 /nfs/dbraw/zinc/31/27/36/287312736.db2.gz HLKKPSKENTXJCE-ICSRJNTNSA-N 1 1 348.462 3.208 40 0 EGABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000072227500 262491498 /nfs/dbraw/zinc/49/14/98/262491498.db2.gz PGBCKQVVCPMWNH-HUUCEWRRSA-N 1 1 336.313 3.129 40 0 EGABMO CCN1CC[NH+](C[C@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000019369639 276385111 /nfs/dbraw/zinc/38/51/11/276385111.db2.gz OONGEXVPSRLMAY-FQEVSTJZSA-N 1 1 346.515 3.112 40 0 EGABMO COc1cc2c(cc1OC)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)[NH2+]1 ZINC000025691716 295041408 /nfs/dbraw/zinc/04/14/08/295041408.db2.gz SRSPZLZVGPJHJH-HOTGVXAUSA-N 1 1 341.407 3.205 40 0 in-vitro EGABMO COc1cc(C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)ccc1Cl ZINC000330609324 308796794 /nfs/dbraw/zinc/79/67/94/308796794.db2.gz LYOKMZWWMUTLON-UHFFFAOYSA-N 1 1 333.819 3.167 40 0 EGABMO C[NH+]1CCN(C(=S)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000000573513 452628111 /nfs/dbraw/zinc/62/81/11/452628111.db2.gz BTSBOMTWSLACHC-UHFFFAOYSA-N 1 1 326.465 3.189 40 0 EGABMO C[NH+](C)[C@H](CNc1nnnn1-c1ccccc1)c1ccccc1Cl ZINC000007981751 453143943 /nfs/dbraw/zinc/14/39/43/453143943.db2.gz KDCQGVWAOSTBNG-MRXNPFEDSA-N 1 1 342.834 3.031 40 0 EGABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000012992111 453433959 /nfs/dbraw/zinc/43/39/59/453433959.db2.gz KNUSLMNIGNZJSR-UHFFFAOYSA-N 1 1 344.842 3.102 40 0 EGABMO CCOc1ccccc1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](C)O ZINC000013991832 453495008 /nfs/dbraw/zinc/49/50/08/453495008.db2.gz PSWAWCCJJQIRMK-OAHLLOKOSA-N 1 1 343.423 3.197 40 0 EGABMO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2Cl)CC1 ZINC000014258616 453528552 /nfs/dbraw/zinc/52/85/52/453528552.db2.gz YCQHTQHKKHVZAU-FNORWQNLSA-N 1 1 345.830 3.337 40 0 EGABMO C[N@H+]1CCCCC[C@@H]2N(C(=O)COc3ccc(F)cc3)CC[C@@]21C ZINC000019713331 453659000 /nfs/dbraw/zinc/65/90/00/453659000.db2.gz YJKNBVAYNLAUEQ-HKUYNNGSSA-N 1 1 334.435 3.070 40 0 EGABMO CNC(=O)c1ccc(C[N@@H+]2CCSC[C@H]2c2ccc(C)o2)cc1 ZINC000076011804 453948857 /nfs/dbraw/zinc/94/88/57/453948857.db2.gz KVHMNFWFMSOXRZ-INIZCTEOSA-N 1 1 330.453 3.238 40 0 EGABMO CNC(=O)c1ccc(C[N@H+]2CCSC[C@H]2c2ccc(C)o2)cc1 ZINC000076011804 453948859 /nfs/dbraw/zinc/94/88/59/453948859.db2.gz KVHMNFWFMSOXRZ-INIZCTEOSA-N 1 1 330.453 3.238 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)/C=C/c1cscn1 ZINC000076389825 453996350 /nfs/dbraw/zinc/99/63/50/453996350.db2.gz PHGKEJYLISEYIU-ROJDOSBLSA-N 1 1 341.480 3.279 40 0 EGABMO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccccc1 ZINC000089141004 454124112 /nfs/dbraw/zinc/12/41/12/454124112.db2.gz NJXXEJZFQDKZBG-LIRRHRJNSA-N 1 1 337.423 3.213 40 0 EGABMO COC(=O)c1cccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000058087670 454163582 /nfs/dbraw/zinc/16/35/82/454163582.db2.gz YUOWCUPKAUKEJY-OAHLLOKOSA-N 1 1 347.459 3.249 40 0 EGABMO CCOc1cc(-c2nnc([C@@H]([NH3+])c3ccc(C)cc3)[nH]2)ccc1OC ZINC000095534199 454230207 /nfs/dbraw/zinc/23/02/07/454230207.db2.gz UEMRPIOMDCFEEH-KRWDZBQOSA-N 1 1 338.411 3.236 40 0 EGABMO c1coc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC000096040221 454266798 /nfs/dbraw/zinc/26/67/98/454266798.db2.gz JJXWLGXJZZLBOO-VQTJNVASSA-N 1 1 342.439 3.263 40 0 EGABMO Cc1nc(COC[C@H]2C[N@@H+](CC3CCC3)Cc3ncn(C)c32)cs1 ZINC000096045041 454268273 /nfs/dbraw/zinc/26/82/73/454268273.db2.gz YLNDUEFXUSFFAM-OAHLLOKOSA-N 1 1 346.500 3.101 40 0 EGABMO COc1ccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccoc4)C3)C2)cc1 ZINC000096047608 454270605 /nfs/dbraw/zinc/27/06/05/454270605.db2.gz ALNHPADQVLGLED-MJGOQNOKSA-N 1 1 328.412 3.134 40 0 EGABMO c1cc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)cs1 ZINC000096049544 454272949 /nfs/dbraw/zinc/27/29/49/454272949.db2.gz SSFJSEBYPSUXEG-LJQANCHMSA-N 1 1 343.496 3.262 40 0 EGABMO Fc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)cc1 ZINC000096055441 454274261 /nfs/dbraw/zinc/27/42/61/454274261.db2.gz URGYCQMESLOYOG-QXAKKESOSA-N 1 1 342.414 3.279 40 0 EGABMO Fc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)cc1 ZINC000096055441 454274265 /nfs/dbraw/zinc/27/42/65/454274265.db2.gz URGYCQMESLOYOG-QXAKKESOSA-N 1 1 342.414 3.279 40 0 EGABMO [NH3+][C@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Br)cc1 ZINC000072227624 454275492 /nfs/dbraw/zinc/27/54/92/454275492.db2.gz ZAGMJNQAJBQSOX-ZIAGYGMSSA-N 1 1 335.176 3.003 40 0 EGABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072227183 454275630 /nfs/dbraw/zinc/27/56/30/454275630.db2.gz BZQVIAOEIKRZBI-GJZGRUSLSA-N 1 1 336.313 3.129 40 0 EGABMO COCCC[N@H+]1CCCC12CCN(C(=O)c1ccccc1C)CC2 ZINC000096075285 454279708 /nfs/dbraw/zinc/27/97/08/454279708.db2.gz KXBLJSILLBMKIQ-UHFFFAOYSA-N 1 1 330.472 3.102 40 0 EGABMO Cc1nc(C[N@@H+]2CCCC23CCN(Cc2ccccn2)CC3)cs1 ZINC000096075300 454279995 /nfs/dbraw/zinc/27/99/95/454279995.db2.gz RHVUJKZTAZWANF-UHFFFAOYSA-N 1 1 342.512 3.477 40 0 EGABMO Cc1nc(C[N@H+]2CCCC23CCN(Cc2ccccn2)CC3)cs1 ZINC000096075300 454279999 /nfs/dbraw/zinc/27/99/99/454279999.db2.gz RHVUJKZTAZWANF-UHFFFAOYSA-N 1 1 342.512 3.477 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CCCC12CCN(C(=O)c1ccco1)CC2 ZINC000096075297 454280299 /nfs/dbraw/zinc/28/02/99/454280299.db2.gz RKYPFTSORFEGMF-UHFFFAOYSA-N 1 1 343.427 3.155 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)s1 ZINC000096072510 454280501 /nfs/dbraw/zinc/28/05/01/454280501.db2.gz LTLFTHGJBMNQKT-WMZOPIPTSA-N 1 1 330.453 3.264 40 0 EGABMO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096090679 454281173 /nfs/dbraw/zinc/28/11/73/454281173.db2.gz ZNBFXUDSUUKNJS-CALCHBBNSA-N 1 1 339.414 3.421 40 0 EGABMO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096183042 454298418 /nfs/dbraw/zinc/29/84/18/454298418.db2.gz OQPMANAZTODYKP-HLAWJBBLSA-N 1 1 336.483 3.209 40 0 EGABMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096183042 454298421 /nfs/dbraw/zinc/29/84/21/454298421.db2.gz OQPMANAZTODYKP-HLAWJBBLSA-N 1 1 336.483 3.209 40 0 EGABMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096183042 454298427 /nfs/dbraw/zinc/29/84/27/454298427.db2.gz OQPMANAZTODYKP-HLAWJBBLSA-N 1 1 336.483 3.209 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)o1 ZINC000096184697 454299699 /nfs/dbraw/zinc/29/96/99/454299699.db2.gz LJPYBERTDVZNED-DLBZAZTESA-N 1 1 330.453 3.067 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)cs1 ZINC000096186792 454300345 /nfs/dbraw/zinc/30/03/45/454300345.db2.gz SFIUSEKCAGOJSH-QYZOEREBSA-N 1 1 344.480 3.482 40 0 EGABMO C[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(=O)c1cccs1)CC2 ZINC000096208206 454304377 /nfs/dbraw/zinc/30/43/77/454304377.db2.gz OSZQWHIPGHVDDK-MRXNPFEDSA-N 1 1 348.512 3.101 40 0 EGABMO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNC(=O)C(C)C)C2)cc1 ZINC000096215385 454305703 /nfs/dbraw/zinc/30/57/03/454305703.db2.gz LTCITJNXIALGSN-CTNGQTDRSA-N 1 1 344.499 3.138 40 0 EGABMO Cc1csc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)n1 ZINC000096208571 454306120 /nfs/dbraw/zinc/30/61/20/454306120.db2.gz ONARCAFQJWQDHY-INIZCTEOSA-N 1 1 345.468 3.049 40 0 EGABMO Cc1ccsc1C[N@H+]1C[C@H]2OC[C@@H](COc3ccc(C)nc3)[C@H]2C1 ZINC000096219581 454307457 /nfs/dbraw/zinc/30/74/57/454307457.db2.gz LCIYHDSDYJAICD-KBAYOESNSA-N 1 1 344.480 3.286 40 0 EGABMO Cc1nc(CN2CC[C@@]3(CCC[N@@H+](Cc4ccoc4)C3)C2=O)cs1 ZINC000096224371 454309473 /nfs/dbraw/zinc/30/94/73/454309473.db2.gz QGJANOZGHWRSTP-GOSISDBHSA-N 1 1 345.468 3.059 40 0 EGABMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000096436346 454347941 /nfs/dbraw/zinc/34/79/41/454347941.db2.gz USFBGUURQAIFEA-QGZVFWFLSA-N 1 1 329.444 3.163 40 0 EGABMO O=C(NCc1csc(C2CC2)n1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000096440143 454349786 /nfs/dbraw/zinc/34/97/86/454349786.db2.gz RCISWOUTAJRNKO-OAHLLOKOSA-N 1 1 348.516 3.084 40 0 EGABMO COc1csc(C(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)c1 ZINC000096446318 454352816 /nfs/dbraw/zinc/35/28/16/454352816.db2.gz KIANEMXFFBSWRI-UHFFFAOYSA-N 1 1 331.441 3.177 40 0 EGABMO COC(=O)c1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000048333616 454475172 /nfs/dbraw/zinc/47/51/72/454475172.db2.gz VZHZEDVKCHUDDE-HNNXBMFYSA-N 1 1 347.459 3.249 40 0 EGABMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C2CCCC2)C[C@@H](C)O1 ZINC000048333586 454475326 /nfs/dbraw/zinc/47/53/26/454475326.db2.gz BJCFSUWECDVDTK-HZPDHXFCSA-N 1 1 330.472 3.102 40 0 EGABMO Cn1cncc1-c1nnc([C@H]2CC[N@@H+](Cc3cc4ccccc4o3)C2)o1 ZINC000049170499 454537327 /nfs/dbraw/zinc/53/73/27/454537327.db2.gz JGOXMIHEAPMPFT-AWEZNQCLSA-N 1 1 349.394 3.206 40 0 biogenic,in-vitro EGABMO c1coc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000107712379 454770234 /nfs/dbraw/zinc/77/02/34/454770234.db2.gz ISHJGZWJLXIHDY-PMACEKPBSA-N 1 1 342.439 3.263 40 0 EGABMO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccco1)C2 ZINC000108525032 454801546 /nfs/dbraw/zinc/80/15/46/454801546.db2.gz YBJIHEIWDGJRLF-NVXWUHKLSA-N 1 1 338.398 3.186 40 0 EGABMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCSC1 ZINC000110698703 454851178 /nfs/dbraw/zinc/85/11/78/454851178.db2.gz QTJAYFVBAJEUDB-XJKSGUPXSA-N 1 1 340.439 3.066 40 0 EGABMO Cc1cccc(COC[C@@H]2C[C@@H]3OCC[N@H+](Cc4ccco4)[C@H]3C2)n1 ZINC000247897957 455653318 /nfs/dbraw/zinc/65/33/18/455653318.db2.gz YBZOZHFMGKVKTQ-VDGAXYAQSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1cccc(COC[C@@H]2C[C@@H]3OCC[N@@H+](Cc4ccco4)[C@H]3C2)n1 ZINC000247897957 455653325 /nfs/dbraw/zinc/65/33/25/455653325.db2.gz YBZOZHFMGKVKTQ-VDGAXYAQSA-N 1 1 342.439 3.179 40 0 EGABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC000248140302 455687248 /nfs/dbraw/zinc/68/72/48/455687248.db2.gz TVANRJKGPVDAOX-KVSKMBFKSA-N 1 1 339.439 3.047 40 0 EGABMO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248633717 455723398 /nfs/dbraw/zinc/72/33/98/455723398.db2.gz UDCZPTRWZMOKLD-VXGBXAGGSA-N 1 1 325.338 3.090 40 0 EGABMO C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248633717 455723404 /nfs/dbraw/zinc/72/34/04/455723404.db2.gz UDCZPTRWZMOKLD-VXGBXAGGSA-N 1 1 325.338 3.090 40 0 EGABMO CO[C@H](C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 ZINC000252488334 455811092 /nfs/dbraw/zinc/81/10/92/455811092.db2.gz IPIYFOPSGGSSEO-FUHWJXTLSA-N 1 1 332.488 3.248 40 0 EGABMO CC(C)(C)n1ncnc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000253392409 455838481 /nfs/dbraw/zinc/83/84/81/455838481.db2.gz SVMWKCIUZXUFLZ-JKSUJKDBSA-N 1 1 346.475 3.494 40 0 EGABMO CC(C)(C)n1ncnc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000253392409 455838485 /nfs/dbraw/zinc/83/84/85/455838485.db2.gz SVMWKCIUZXUFLZ-JKSUJKDBSA-N 1 1 346.475 3.494 40 0 EGABMO CC(=O)c1ccc2c(c1)CC[N@H+](CC1CCC3(CC1)OCCO3)CC2 ZINC000253428223 455846342 /nfs/dbraw/zinc/84/63/42/455846342.db2.gz CFZZEWQVSDLXTB-UHFFFAOYSA-N 1 1 343.467 3.223 40 0 EGABMO COc1ccc([C@@H]2C[N@H+](Cc3cccs3)CCN2C(C)=O)cc1 ZINC000257281545 455881582 /nfs/dbraw/zinc/88/15/82/455881582.db2.gz OPSINGMFIIXHPB-SFHVURJKSA-N 1 1 330.453 3.162 40 0 EGABMO COc1ccc([C@@H]2C[N@@H+](Cc3cccs3)CCN2C(C)=O)cc1 ZINC000257281545 455881583 /nfs/dbraw/zinc/88/15/83/455881583.db2.gz OPSINGMFIIXHPB-SFHVURJKSA-N 1 1 330.453 3.162 40 0 EGABMO CCCn1cc(C[N@H+]2CCCC[C@@]3(C)[C@@H]2CCC(=O)N3CC)cn1 ZINC000257300637 455887021 /nfs/dbraw/zinc/88/70/21/455887021.db2.gz RVDIYZVOPQQRSE-HKUYNNGSSA-N 1 1 332.492 3.049 40 0 EGABMO Cn1cncc1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000257307282 455887596 /nfs/dbraw/zinc/88/75/96/455887596.db2.gz SYAMZQOCQBAMOI-MRXNPFEDSA-N 1 1 333.439 3.257 40 0 EGABMO CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@H+]2C1CCOCC1 ZINC000257331009 455893519 /nfs/dbraw/zinc/89/35/19/455893519.db2.gz XQZMMTPIKZSPIY-ACRUOGEOSA-N 1 1 342.483 3.034 40 0 EGABMO c1c[nH]c(C[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)n1 ZINC000257341575 455895403 /nfs/dbraw/zinc/89/54/03/455895403.db2.gz ZKYAJZVFTPMFJS-UHFFFAOYSA-N 1 1 334.427 3.323 40 0 EGABMO c1csc(C[N@@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306137917 456567861 /nfs/dbraw/zinc/56/78/61/456567861.db2.gz RKCBXZLMELHCHT-CVEARBPZSA-N 1 1 336.464 3.311 40 0 EGABMO Cc1cc(NC(=O)CC[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)no1 ZINC000329084025 456830026 /nfs/dbraw/zinc/83/00/26/456830026.db2.gz SZFUSWQLGQVIBL-RCCFBDPRSA-N 1 1 339.439 3.002 40 0 EGABMO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@H+](CC(C)C)CC3)cs1 ZINC000585100026 459823348 /nfs/dbraw/zinc/82/33/48/459823348.db2.gz CPUKEBNPVZKHPC-GOSISDBHSA-N 1 1 335.517 3.455 40 0 EGABMO Cc1noc(C)c1CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2CC1CCCCC1 ZINC000585108918 459824912 /nfs/dbraw/zinc/82/49/12/459824912.db2.gz DIJNLKATUOAFLB-ROUUACIJSA-N 1 1 331.460 3.047 40 0 EGABMO Cc1nc(NC[C@H]2[N@@H+](C)CCCC2(C)C)cc(-c2cccnc2)n1 ZINC000684091588 550290102 /nfs/dbraw/zinc/29/01/02/550290102.db2.gz VQQRWONYQCKGHM-QGZVFWFLSA-N 1 1 325.460 3.379 40 0 EGABMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000054227382 214226099 /nfs/dbraw/zinc/22/60/99/214226099.db2.gz DNFWKBCUWWXBNC-KRWDZBQOSA-N 1 1 336.435 3.132 40 0 EGABMO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)cn1 ZINC000035425818 213027624 /nfs/dbraw/zinc/02/76/24/213027624.db2.gz RPCYNDJWTYLNDQ-INIZCTEOSA-N 1 1 336.395 3.477 40 0 biogenic,in-vitro EGABMO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)cn1 ZINC000035425818 213027627 /nfs/dbraw/zinc/02/76/27/213027627.db2.gz RPCYNDJWTYLNDQ-INIZCTEOSA-N 1 1 336.395 3.477 40 0 biogenic,in-vitro EGABMO COCC[N@H+]1CCC[C@H](c2cc(Nc3cccc(C)n3)nc(C)n2)C1 ZINC000072360196 216166430 /nfs/dbraw/zinc/16/64/30/216166430.db2.gz DFHOSCWZEZYEPR-INIZCTEOSA-N 1 1 341.459 3.058 40 0 EGABMO CCCn1cc(C[N@H+]2CCC[C@@H]2c2cccc(-n3ccnc3)n2)cn1 ZINC000072366772 216172122 /nfs/dbraw/zinc/17/21/22/216172122.db2.gz QNTAMOGMCLZEFS-GOSISDBHSA-N 1 1 336.443 3.211 40 0 EGABMO Cc1n[nH]c(C)c1NC(=O)CCc1cc(C)nc([C@@H]2CCC[N@@H+]2C)c1 ZINC000072366901 216172965 /nfs/dbraw/zinc/17/29/65/216172965.db2.gz VELDVJGYBGARMP-KRWDZBQOSA-N 1 1 341.459 3.068 40 0 EGABMO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@@H+]3CC(C)C)n2)n1 ZINC000072376204 216178828 /nfs/dbraw/zinc/17/88/28/216178828.db2.gz AGUNBFNAHAIOPS-MRXNPFEDSA-N 1 1 326.448 3.420 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@H]2c2cncc(-n3ccnc3)n2)cc1 ZINC000072378688 216181719 /nfs/dbraw/zinc/18/17/19/216181719.db2.gz VCPOLHCHMUVOAO-SFHVURJKSA-N 1 1 335.411 3.008 40 0 EGABMO CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)cc1 ZINC000072373026 216177519 /nfs/dbraw/zinc/17/75/19/216177519.db2.gz FJTVJHXCTOVNSX-JKSUJKDBSA-N 1 1 339.439 3.021 40 0 EGABMO Cc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000226459362 242104384 /nfs/dbraw/zinc/10/43/84/242104384.db2.gz WQULKHFGSILLEC-YESZJQIVSA-N 1 1 335.488 3.141 40 0 EGABMO c1nn([C@@H]2CC[N@H+](CC3CCC4(CC3)OCCO4)C2)c2ccccc12 ZINC000253427741 243969443 /nfs/dbraw/zinc/96/94/43/243969443.db2.gz AMSUOSULIBVEOU-GOSISDBHSA-N 1 1 341.455 3.216 40 0 EGABMO Cc1nc2sccn2c1C[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000257212548 244156483 /nfs/dbraw/zinc/15/64/83/244156483.db2.gz CDXVHKPROVHFSE-CQSZACIVSA-N 1 1 327.457 3.182 40 0 EGABMO Cc1nc(C[NH+]2CCC(c3cc(C)n4nccc4n3)CC2)cs1 ZINC000257224365 244195283 /nfs/dbraw/zinc/19/52/83/244195283.db2.gz FBNKUTXITZWECC-UHFFFAOYSA-N 1 1 327.457 3.182 40 0 EGABMO CC(C)c1ncc(C[NH+]2CC3(C2)CO[C@@H](Cc2ccccc2)C3)cn1 ZINC000257270854 244377385 /nfs/dbraw/zinc/37/73/85/244377385.db2.gz MVXLQFMVAFLRNW-IBGZPJMESA-N 1 1 337.467 3.434 40 0 EGABMO Cn1ccc2cc(C[C@@H]3COCC[N@@H+](Cc4ccncc4)C3)ccc21 ZINC000257277646 244397018 /nfs/dbraw/zinc/39/70/18/244397018.db2.gz NYVNCSRNFXILTB-IBGZPJMESA-N 1 1 335.451 3.264 40 0 EGABMO COc1ccc2[nH]c(C[N@H+]3CC[C@@H]4[C@@H](C3)CCCC(=O)N4C)cc2c1 ZINC000257293051 244441015 /nfs/dbraw/zinc/44/10/15/244441015.db2.gz QNYBJVADANUPHO-AUUYWEPGSA-N 1 1 341.455 3.009 40 0 EGABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)[nH]c(=O)c1C ZINC000019555372 212040460 /nfs/dbraw/zinc/04/04/60/212040460.db2.gz CYFCEWZIPWHXKF-GOSISDBHSA-N 1 1 348.450 3.315 40 0 EGABMO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000019237572 212008404 /nfs/dbraw/zinc/00/84/04/212008404.db2.gz PRBXNFMDAVTLIY-GOSISDBHSA-N 1 1 326.488 3.181 40 0 EGABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cccc(F)c4F)C[C@H]32)nc1 ZINC000019216017 212005788 /nfs/dbraw/zinc/00/57/88/212005788.db2.gz RJGHFRQPKFAXPQ-NBQZKYEYSA-N 1 1 344.405 3.398 40 0 EGABMO CS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000110646099 220051769 /nfs/dbraw/zinc/05/17/69/220051769.db2.gz PQZVUHZHPRKMHH-RWMBFGLXSA-N 1 1 338.439 3.003 40 0 EGABMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@@H](O)COC(C)(C)C)C3)nc2c1 ZINC000110705895 220059518 /nfs/dbraw/zinc/05/95/18/220059518.db2.gz XKOYWPCBIOFVOA-JKSUJKDBSA-N 1 1 345.487 3.227 40 0 EGABMO Cc1ccc2nc([C@H]3CCC[N@H+](C[C@@H](O)COC(C)(C)C)C3)[nH]c2c1 ZINC000110705895 220059520 /nfs/dbraw/zinc/05/95/20/220059520.db2.gz XKOYWPCBIOFVOA-JKSUJKDBSA-N 1 1 345.487 3.227 40 0 EGABMO Cc1ccc2nc([C@H]3CCC[N@@H+](C[C@@H](O)COC(C)(C)C)C3)[nH]c2c1 ZINC000110705895 220059523 /nfs/dbraw/zinc/05/95/23/220059523.db2.gz XKOYWPCBIOFVOA-JKSUJKDBSA-N 1 1 345.487 3.227 40 0 EGABMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1coc2ccccc12 ZINC000092585443 218151348 /nfs/dbraw/zinc/15/13/48/218151348.db2.gz MUZQIRJRVNQBRA-ZDUSSCGKSA-N 1 1 344.436 3.273 40 0 EGABMO COC[C@@H]1CCC[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093337332 218216004 /nfs/dbraw/zinc/21/60/04/218216004.db2.gz LVCAMNIOPOWGCM-LJQANCHMSA-N 1 1 327.472 3.407 40 0 EGABMO O=S1(=O)CC[C@H](C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)C1 ZINC000242140887 285068809 /nfs/dbraw/zinc/06/88/09/285068809.db2.gz WQCQHIBYDKKFMX-RDTXWAMCSA-N 1 1 332.469 3.130 40 0 EGABMO O=S1(=O)CC[C@H](C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)C1 ZINC000242140887 285068813 /nfs/dbraw/zinc/06/88/13/285068813.db2.gz WQCQHIBYDKKFMX-RDTXWAMCSA-N 1 1 332.469 3.130 40 0 EGABMO Cc1cc2nc(CC(=O)N[C@@H](C)C[NH+]3CCCCCC3)[nH]c2c(C)c1 ZINC000019568366 292022744 /nfs/dbraw/zinc/02/27/44/292022744.db2.gz ORJHIEMZPQDNFA-INIZCTEOSA-N 1 1 342.487 3.103 40 0 EGABMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ccc(OC(F)(F)F)cn1 ZINC000225712522 274862222 /nfs/dbraw/zinc/86/22/22/274862222.db2.gz FDZDOUHJIXXVOY-LBPRGKRZSA-N 1 1 326.322 3.154 40 0 EGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](CCCc4ccccc4)C3)cc(N)n2n1 ZINC000012667416 453391505 /nfs/dbraw/zinc/39/15/05/453391505.db2.gz JMPQJZMZFPOLBB-GOSISDBHSA-N 1 1 349.482 3.432 40 0 EGABMO COc1ccc(C[N@@H+](Cc2ccoc2)C[C@H]2CCCO2)cc1OC ZINC000013994168 453496331 /nfs/dbraw/zinc/49/63/31/453496331.db2.gz APVNXUJDRFUKMF-QGZVFWFLSA-N 1 1 331.412 3.478 40 0 EGABMO COc1ccc(C[N@H+](Cc2ccoc2)C[C@H]2CCCO2)cc1OC ZINC000013994168 453496341 /nfs/dbraw/zinc/49/63/41/453496341.db2.gz APVNXUJDRFUKMF-QGZVFWFLSA-N 1 1 331.412 3.478 40 0 EGABMO O=C(CC1CCCC1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000029665940 453830529 /nfs/dbraw/zinc/83/05/29/453830529.db2.gz RBYWUCHSQAEFCT-UHFFFAOYSA-N 1 1 337.467 3.459 40 0 EGABMO Cc1cc(C)c(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(C)c1 ZINC000030499359 453836122 /nfs/dbraw/zinc/83/61/22/453836122.db2.gz DOMHYZNTOYRDJN-SFHVURJKSA-N 1 1 346.496 3.193 40 0 EGABMO CCOC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000081746400 453906998 /nfs/dbraw/zinc/90/69/98/453906998.db2.gz DKTZYONPLPETIL-HKUYNNGSSA-N 1 1 348.462 3.065 40 0 EGABMO CCOC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000081746400 453907002 /nfs/dbraw/zinc/90/70/02/453907002.db2.gz DKTZYONPLPETIL-HKUYNNGSSA-N 1 1 348.462 3.065 40 0 EGABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(F)cc2F)C1 ZINC000044080818 454088112 /nfs/dbraw/zinc/08/81/12/454088112.db2.gz VLSMKMJEIRKFJE-LBPRGKRZSA-N 1 1 327.444 3.373 40 0 EGABMO CCn1cc(C[N@@H+](Cc2ccccc2OC)C[C@H]2CCCO2)c(C)n1 ZINC000057811365 454147969 /nfs/dbraw/zinc/14/79/69/454147969.db2.gz GXYBMXOWPJFVDR-LJQANCHMSA-N 1 1 343.471 3.401 40 0 EGABMO CCn1cc(C[N@H+](Cc2ccccc2OC)C[C@H]2CCCO2)c(C)n1 ZINC000057811365 454147973 /nfs/dbraw/zinc/14/79/73/454147973.db2.gz GXYBMXOWPJFVDR-LJQANCHMSA-N 1 1 343.471 3.401 40 0 EGABMO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccccc3C)[nH]2)cc1OC ZINC000095534287 454230072 /nfs/dbraw/zinc/23/00/72/454230072.db2.gz SWIQPFZCWOEBNK-QGZVFWFLSA-N 1 1 338.411 3.236 40 0 EGABMO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000071873508 454238312 /nfs/dbraw/zinc/23/83/12/454238312.db2.gz OZONDJGFGFIMQN-FXAWDEMLSA-N 1 1 344.499 3.363 40 0 EGABMO CN1CC[C@@]23c4ccccc4N[C@@H]1[C@@]21CC[N@H+](C)[C@@H]3Nc2ccccc21 ZINC000059364467 454257909 /nfs/dbraw/zinc/25/79/09/454257909.db2.gz XSYCDVWYEVUDKQ-CMOCDZPBSA-N 1 1 346.478 3.037 40 0 in-man EGABMO CN1CC[C@@]23c4ccccc4N[C@@H]1[C@@]21CC[N@@H+](C)[C@@H]3Nc2ccccc21 ZINC000059364467 454257917 /nfs/dbraw/zinc/25/79/17/454257917.db2.gz XSYCDVWYEVUDKQ-CMOCDZPBSA-N 1 1 346.478 3.037 40 0 in-man EGABMO O=C(NC1CCCC1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000096043340 454267574 /nfs/dbraw/zinc/26/75/74/454267574.db2.gz BNIBCCIAIJKPIU-FGTMMUONSA-N 1 1 348.512 3.034 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)s1 ZINC000096042203 454268750 /nfs/dbraw/zinc/26/87/50/454268750.db2.gz YFYJADCTCMUZQE-GBESFXJTSA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)s1 ZINC000096042203 454268754 /nfs/dbraw/zinc/26/87/54/454268754.db2.gz YFYJADCTCMUZQE-GBESFXJTSA-N 1 1 344.480 3.400 40 0 EGABMO O=C(c1cccnc1)N1CCC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096047037 454269378 /nfs/dbraw/zinc/26/93/78/454269378.db2.gz FOOKPZAUJICEBT-LJQANCHMSA-N 1 1 341.480 3.271 40 0 EGABMO c1csc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049539 454273089 /nfs/dbraw/zinc/27/30/89/454273089.db2.gz HMCBSXYMUVTODJ-IBGZPJMESA-N 1 1 343.496 3.262 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)o1 ZINC000096056577 454274039 /nfs/dbraw/zinc/27/40/39/454274039.db2.gz BSRSDRYPNQZIKC-IAGOWNOFSA-N 1 1 345.468 3.118 40 0 EGABMO c1csc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1 ZINC000096055425 454274044 /nfs/dbraw/zinc/27/40/44/454274044.db2.gz HTFXWPNKDZRIQQ-BHYGNILZSA-N 1 1 330.453 3.202 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1 ZINC000096055425 454274045 /nfs/dbraw/zinc/27/40/45/454274045.db2.gz HTFXWPNKDZRIQQ-BHYGNILZSA-N 1 1 330.453 3.202 40 0 EGABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072227184 454274743 /nfs/dbraw/zinc/27/47/43/454274743.db2.gz BZQVIAOEIKRZBI-HUUCEWRRSA-N 1 1 336.313 3.129 40 0 EGABMO c1cc(C[N@@H+]2CCc3ncc(CNc4ccccn4)n3CC2)cs1 ZINC000096067937 454278129 /nfs/dbraw/zinc/27/81/29/454278129.db2.gz UCOREIBVHVKDES-UHFFFAOYSA-N 1 1 339.468 3.010 40 0 EGABMO O=C(CCc1cccnc1)N1CC[C@@]2(CCC[N@H+]2CC2CCCC2)C1 ZINC000096071077 454278979 /nfs/dbraw/zinc/27/89/79/454278979.db2.gz FRQVIBWTJKZJRE-NRFANRHFSA-N 1 1 341.499 3.271 40 0 EGABMO COc1ccc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)cc1 ZINC000096187630 454299842 /nfs/dbraw/zinc/29/98/42/454299842.db2.gz SAUPEKNPOMHONS-UHFFFAOYSA-N 1 1 346.434 3.148 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2cccs2)o1 ZINC000096184696 454300117 /nfs/dbraw/zinc/30/01/17/454300117.db2.gz ISCQBIWANLADMG-DLBZAZTESA-N 1 1 330.453 3.067 40 0 EGABMO CCOC[C@H]1Cn2cncc2C[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000096206482 454304727 /nfs/dbraw/zinc/30/47/27/454304727.db2.gz RNYBTKBKOWZDCK-MRXNPFEDSA-N 1 1 336.439 3.100 40 0 EGABMO CCOC[C@H]1Cn2cncc2C[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000096206482 454304732 /nfs/dbraw/zinc/30/47/32/454304732.db2.gz RNYBTKBKOWZDCK-MRXNPFEDSA-N 1 1 336.439 3.100 40 0 EGABMO Cc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4ccncc4)C3)C2)n1 ZINC000096216141 454304922 /nfs/dbraw/zinc/30/49/22/454304922.db2.gz PDWXTBQEVLEPIE-NRFANRHFSA-N 1 1 336.483 3.273 40 0 EGABMO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3)C2)n1 ZINC000096216141 454304930 /nfs/dbraw/zinc/30/49/30/454304930.db2.gz PDWXTBQEVLEPIE-NRFANRHFSA-N 1 1 336.483 3.273 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3)C2)n1 ZINC000096216141 454304934 /nfs/dbraw/zinc/30/49/34/454304934.db2.gz PDWXTBQEVLEPIE-NRFANRHFSA-N 1 1 336.483 3.273 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238797 454310970 /nfs/dbraw/zinc/31/09/70/454310970.db2.gz NJRRRHABNRMZIC-IBGZPJMESA-N 1 1 343.402 3.060 40 0 EGABMO Cc1nc[nH]c1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1ccccn1 ZINC000096249017 454312004 /nfs/dbraw/zinc/31/20/04/454312004.db2.gz AOTDVSKOAHMPFS-GVDBMIGSSA-N 1 1 325.460 3.073 40 0 EGABMO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000096424516 454338511 /nfs/dbraw/zinc/33/85/11/454338511.db2.gz STGOPCOAFXHJKT-KRWDZBQOSA-N 1 1 326.444 3.419 40 0 EGABMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccnc(Cl)c1 ZINC000096432968 454343327 /nfs/dbraw/zinc/34/33/27/454343327.db2.gz FLVYHXOOYNCOTP-MRXNPFEDSA-N 1 1 343.858 3.329 40 0 EGABMO Cc1ccc(CC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000096444853 454351826 /nfs/dbraw/zinc/35/18/26/454351826.db2.gz CQMYRDIJXVGLMJ-HXUWFJFHSA-N 1 1 337.467 3.056 40 0 EGABMO Cc1cc(CNc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)o1 ZINC000096489070 454368509 /nfs/dbraw/zinc/36/85/09/454368509.db2.gz KZBRVBVWBSHNDE-QGZVFWFLSA-N 1 1 341.455 3.206 40 0 EGABMO C[C@@H](CO)[N@@H+]1Cc2cccc(NC(=O)c3cccc4ncccc43)c2C1 ZINC000096502603 454372842 /nfs/dbraw/zinc/37/28/42/454372842.db2.gz NMKAJUMDMOJIQE-AWEZNQCLSA-N 1 1 347.418 3.184 40 0 EGABMO C[C@@H](CO)[N@H+]1Cc2cccc(NC(=O)c3cccc4ncccc43)c2C1 ZINC000096502603 454372847 /nfs/dbraw/zinc/37/28/47/454372847.db2.gz NMKAJUMDMOJIQE-AWEZNQCLSA-N 1 1 347.418 3.184 40 0 EGABMO COC(=O)c1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000048353876 454477169 /nfs/dbraw/zinc/47/71/69/454477169.db2.gz LXPJDRSQXBWTPO-OAHLLOKOSA-N 1 1 347.459 3.107 40 0 EGABMO CC(=O)Nc1ccc(C[N@H+]2CC[C@H](c3nnc(C(C)(C)C)o3)C2)cc1 ZINC000049170678 454537355 /nfs/dbraw/zinc/53/73/55/454537355.db2.gz XSGWSKPJKAXMOB-HNNXBMFYSA-N 1 1 342.443 3.315 40 0 biogenic,in-vitro EGABMO Cc1ncsc1C[N@H+]1CCC2(CC(NC(=O)c3ccsc3)C2)C1 ZINC000108528337 454801512 /nfs/dbraw/zinc/80/15/12/454801512.db2.gz JHWCJKDMXABEET-UHFFFAOYSA-N 1 1 347.509 3.298 40 0 EGABMO O[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)C1 ZINC000108962667 454818528 /nfs/dbraw/zinc/81/85/28/454818528.db2.gz FYWXAYKYZVMEJI-SJLPKXTDSA-N 1 1 349.427 3.452 40 0 EGABMO O[C@@H]1CCC[N@@H+](Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)C1 ZINC000108962667 454818534 /nfs/dbraw/zinc/81/85/34/454818534.db2.gz FYWXAYKYZVMEJI-SJLPKXTDSA-N 1 1 349.427 3.452 40 0 EGABMO CCc1ccc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000143257252 454841817 /nfs/dbraw/zinc/84/18/17/454841817.db2.gz JFVNZUZZLLGNCZ-UHFFFAOYSA-N 1 1 349.434 3.438 40 0 EGABMO C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H](C)N1CC[C@@H]1CCCCO1 ZINC000170608600 454941234 /nfs/dbraw/zinc/94/12/34/454941234.db2.gz UIMCRFFZMZMAPL-YRPNKDGESA-N 1 1 338.536 3.299 40 0 EGABMO C[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H](C)[N@H+]1CC[C@@H]1CCCCO1 ZINC000170608600 454941238 /nfs/dbraw/zinc/94/12/38/454941238.db2.gz UIMCRFFZMZMAPL-YRPNKDGESA-N 1 1 338.536 3.299 40 0 EGABMO C[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H](C)[N@@H+]1CC[C@@H]1CCCCO1 ZINC000170608600 454941241 /nfs/dbraw/zinc/94/12/41/454941241.db2.gz UIMCRFFZMZMAPL-YRPNKDGESA-N 1 1 338.536 3.299 40 0 EGABMO C[N@H+]1C[C@H](COCC2CC2)C2(C1)CCN(C(=O)C1CCCCC1)CC2 ZINC000247965668 455661679 /nfs/dbraw/zinc/66/16/79/455661679.db2.gz ICVCSJHVTNDVIH-LJQANCHMSA-N 1 1 348.531 3.164 40 0 EGABMO CCC(=O)N1CCC[C@@H]([N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C)C1 ZINC000253589232 455854020 /nfs/dbraw/zinc/85/40/20/455854020.db2.gz WZZBILPILIBLTG-GDBMZVCRSA-N 1 1 346.471 3.024 40 0 EGABMO CC(C)n1ccnc1C[N@@H+]1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257282985 455881824 /nfs/dbraw/zinc/88/18/24/455881824.db2.gz OWDTUYOWASQNJD-BPQIPLTHSA-N 1 1 326.444 3.148 40 0 EGABMO Cc1nc(C(=O)N2CCCC[C@@H]3[C@@H]2C[C@H](c2ccccc2)[N@H+]3C)co1 ZINC000257288801 455883851 /nfs/dbraw/zinc/88/38/51/455883851.db2.gz PVTHIKGPDPAYOP-QRVBRYPASA-N 1 1 339.439 3.423 40 0 EGABMO COc1ccccc1C[N@H+]1CCC[C@@H]1c1ccnc(CNC(C)=O)c1 ZINC000257298605 455884905 /nfs/dbraw/zinc/88/49/05/455884905.db2.gz RMLQXSFAWOCGFI-LJQANCHMSA-N 1 1 339.439 3.063 40 0 EGABMO COc1cc(-c2noc(C[N@H+]3CCC[C@@H]3C)n2)cc(Cl)c1OC ZINC000225494457 456087481 /nfs/dbraw/zinc/08/74/81/456087481.db2.gz NAEDSHNUFAVEEM-JTQLQIEISA-N 1 1 337.807 3.392 40 0 EGABMO c1nc2n(c1-c1ccccc1)C[C@H]1C[N@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306134843 456567499 /nfs/dbraw/zinc/56/74/99/456567499.db2.gz NZLKKQREBNZUGH-RBUKOAKNSA-N 1 1 330.435 3.249 40 0 EGABMO Cc1ccsc1C[N@H+]1C[C@H]2OC[C@@H](CNc3ccccn3)[C@H]2C1 ZINC000306143422 456569194 /nfs/dbraw/zinc/56/91/94/456569194.db2.gz YCAFLQQADCGACF-BZUAXINKSA-N 1 1 329.469 3.010 40 0 EGABMO CC(=O)c1c(C)[nH]c(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)c1C ZINC000331081678 457128969 /nfs/dbraw/zinc/12/89/69/457128969.db2.gz XVFOREDFZOOCSU-UHFFFAOYSA-N 1 1 345.487 3.242 40 0 EGABMO CC(=O)c1c(C)[nH]c(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)c1C ZINC000331081678 457128976 /nfs/dbraw/zinc/12/89/76/457128976.db2.gz XVFOREDFZOOCSU-UHFFFAOYSA-N 1 1 345.487 3.242 40 0 EGABMO O=C(c1cccs1)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408611500 457584429 /nfs/dbraw/zinc/58/44/29/457584429.db2.gz SMYXAKKCTWOWRQ-KRWDZBQOSA-N 1 1 326.465 3.411 40 0 EGABMO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccco1)C2 ZINC000503832921 458726066 /nfs/dbraw/zinc/72/60/66/458726066.db2.gz YBJIHEIWDGJRLF-RDJZCZTQSA-N 1 1 338.398 3.186 40 0 EGABMO c1cc2n(c1)C[C@@H](CCNc1ccccn1)C[N@@H+](Cc1ccncc1)C2 ZINC000585095461 459822211 /nfs/dbraw/zinc/82/22/11/459822211.db2.gz RSZFHLDJMKKJPL-IBGZPJMESA-N 1 1 347.466 3.412 40 0 EGABMO c1cc2n(c1)C[C@@H](CCNc1ccccn1)C[N@H+](Cc1ccncc1)C2 ZINC000585095461 459822213 /nfs/dbraw/zinc/82/22/13/459822213.db2.gz RSZFHLDJMKKJPL-IBGZPJMESA-N 1 1 347.466 3.412 40 0 EGABMO C[N@@H+](CCc1ccccn1)[C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585290623 459833860 /nfs/dbraw/zinc/83/38/60/459833860.db2.gz YRMAVGWTMNXDTC-XUVXKRRUSA-N 1 1 344.430 3.056 40 0 EGABMO Fc1ccc(C[N@H+]2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@H]3C2)cc1 ZINC000306129614 547459884 /nfs/dbraw/zinc/45/98/84/547459884.db2.gz IIGCIKXSOAARGS-AEFFLSMTSA-N 1 1 334.398 3.313 40 0 EGABMO Cc1nc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc(-c2cccnc2)n1 ZINC000684091580 550290129 /nfs/dbraw/zinc/29/01/29/550290129.db2.gz VQQRWONYQCKGHM-KRWDZBQOSA-N 1 1 325.460 3.379 40 0 EGABMO O=C(NCc1ccc(O)c(F)c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000684805727 550371249 /nfs/dbraw/zinc/37/12/49/550371249.db2.gz PPJOLMZCEOZUKC-INIZCTEOSA-N 1 1 349.450 3.128 40 0 EGABMO Cc1nn(CC(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)c(C)c1Cl ZINC000028247029 1291303992 /nfs/dbraw/zinc/30/39/92/1291303992.db2.gz OVSOYKHVSGXKHW-UHFFFAOYSA-N 1 1 343.818 3.286 40 0 EGABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2c2nc(C)cc(C)n2)n1 ZINC000257316894 282199454 /nfs/dbraw/zinc/19/94/54/282199454.db2.gz VHMCZCFJSXRFGE-KRWDZBQOSA-N 1 1 334.427 3.324 40 0 EGABMO CC(C)CO[C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000040092190 213262466 /nfs/dbraw/zinc/26/24/66/213262466.db2.gz LZPRIFRVLDFWTR-CJNGLKHVSA-N 1 1 326.868 3.120 40 0 EGABMO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038850084 213228308 /nfs/dbraw/zinc/22/83/08/213228308.db2.gz PNKURSDFVDUQTC-NSHDSACASA-N 1 1 327.255 3.484 40 0 EGABMO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038850084 213228311 /nfs/dbraw/zinc/22/83/11/213228311.db2.gz PNKURSDFVDUQTC-NSHDSACASA-N 1 1 327.255 3.484 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cnn(C(C)(C)C)c1 ZINC000183396604 235049083 /nfs/dbraw/zinc/04/90/83/235049083.db2.gz PSWAXIAVMHAQMB-QAPCUYQASA-N 1 1 327.476 3.356 40 0 EGABMO O=C(C1CCC1)N1C[C@@H]2CCCC[N@H+](CCc3ccc(F)cc3)[C@@H]2C1 ZINC000072330632 216154561 /nfs/dbraw/zinc/15/45/61/216154561.db2.gz BOFPKDAXWDVAJI-AZUAARDMSA-N 1 1 344.474 3.481 40 0 EGABMO Cc1nc(Nc2cnccn2)cc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072360206 216165800 /nfs/dbraw/zinc/16/58/00/216165800.db2.gz MLEGDOORSCUIIC-QGZVFWFLSA-N 1 1 347.426 3.051 40 0 EGABMO Cc1nc(Nc2cnccn2)cc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072360206 216165802 /nfs/dbraw/zinc/16/58/02/216165802.db2.gz MLEGDOORSCUIIC-QGZVFWFLSA-N 1 1 347.426 3.051 40 0 EGABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4cccs4)C3)cc(N)n2n1 ZINC000072339772 216156784 /nfs/dbraw/zinc/15/67/84/216156784.db2.gz LHHSZKHYHTWOEA-ZDUSSCGKSA-N 1 1 327.457 3.061 40 0 EGABMO Fc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-n3ccnc3)C2)cc1 ZINC000072350500 216162598 /nfs/dbraw/zinc/16/25/98/216162598.db2.gz XVUSYDGHMPNZFY-INIZCTEOSA-N 1 1 337.402 3.181 40 0 EGABMO COCC[N@H+]1CCC[C@H](c2cncc(Oc3ccccc3OC)n2)C1 ZINC000072361792 216168016 /nfs/dbraw/zinc/16/80/16/216168016.db2.gz RXWURUKYECKVEB-HNNXBMFYSA-N 1 1 343.427 3.103 40 0 EGABMO Nc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC000193402039 240150698 /nfs/dbraw/zinc/15/06/98/240150698.db2.gz AHKXTCYGHZPTFY-UXHICEINSA-N 1 1 336.483 3.150 40 0 EGABMO Cc1cccc(Nc2nccnc2C2CC[NH+](Cc3cc[nH]n3)CC2)n1 ZINC000257200483 244117391 /nfs/dbraw/zinc/11/73/91/244117391.db2.gz ADNJWRIHQWPGNL-UHFFFAOYSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cccc(C)n3)C2)n1 ZINC000257232159 244216972 /nfs/dbraw/zinc/21/69/72/244216972.db2.gz GJRDSGRKWVKWQI-MRXNPFEDSA-N 1 1 348.454 3.258 40 0 EGABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(C)n2)cc1CO ZINC000257266001 244360140 /nfs/dbraw/zinc/36/01/40/244360140.db2.gz MBEPKGADLJAXBU-SFHVURJKSA-N 1 1 327.428 3.013 40 0 EGABMO CC(=O)N(C)C1CCC2(CC1)C[N@@H+](C(C)C)Cc1ccccc1O2 ZINC000019448643 212028647 /nfs/dbraw/zinc/02/86/47/212028647.db2.gz MAKPCBVVUHFKBG-UHFFFAOYSA-N 1 1 330.472 3.449 40 0 EGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2(c3ccccc3F)CC2)C1 ZINC000012204974 211320090 /nfs/dbraw/zinc/32/00/90/211320090.db2.gz QPJZLXZAPXADBO-IYBDPMFKSA-N 1 1 332.463 3.342 40 0 EGABMO CC[NH+](CC)CN1C(=O)CC2(c3ccccc3-c3ccccc32)C1=O ZINC000001576170 273637301 /nfs/dbraw/zinc/63/73/01/273637301.db2.gz AQPJBFZPJLMCJC-UHFFFAOYSA-N 1 1 334.419 3.011 40 0 EGABMO COc1cc2cccnc2c(NC[C@@H](O)C[N@H+]2CC[C@@H](C)C[C@H]2C)c1 ZINC000004522431 274103161 /nfs/dbraw/zinc/10/31/61/274103161.db2.gz ASZGOXIFKOHFFV-BFYDXBDKSA-N 1 1 343.471 3.137 40 0 EGABMO c1ccc2c(c1)[nH]c1c2[C@@H]2C[N@H+](CCc3ccncc3)CCN2CC1 ZINC000022860037 275071379 /nfs/dbraw/zinc/07/13/79/275071379.db2.gz JLPQEMCCJSONLS-FQEVSTJZSA-N 1 1 332.451 3.020 40 0 EGABMO c1ccc2c(c1)[nH]c1c2[C@@H]2C[N@@H+](CCc3ccncc3)CCN2CC1 ZINC000022860037 275071380 /nfs/dbraw/zinc/07/13/80/275071380.db2.gz JLPQEMCCJSONLS-FQEVSTJZSA-N 1 1 332.451 3.020 40 0 EGABMO Clc1ccc(C2(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)CC2)cc1 ZINC000019332776 279291793 /nfs/dbraw/zinc/29/17/93/279291793.db2.gz PFUVHAKIZNGKJY-QGZVFWFLSA-N 1 1 348.918 3.416 40 0 EGABMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC2(CC[NH+](CCF)CC2)Oc2ccccc21 ZINC000096242749 288788213 /nfs/dbraw/zinc/78/82/13/288788213.db2.gz VDNRKVMLQCIPPQ-DJIMGWMZSA-N 1 1 346.446 3.087 40 0 EGABMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1nc2cc(C)ccc2s1 ZINC000528497218 313104638 /nfs/dbraw/zinc/10/46/38/313104638.db2.gz ODKYZHUYZKCRKZ-CQSZACIVSA-N 1 1 331.485 3.485 40 0 EGABMO [NH3+][C@@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Br)cc1 ZINC000072227623 454275454 /nfs/dbraw/zinc/27/54/54/454275454.db2.gz ZAGMJNQAJBQSOX-KBPBESRZSA-N 1 1 335.176 3.003 40 0 EGABMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549452296 315092626 /nfs/dbraw/zinc/09/26/26/315092626.db2.gz QGWARWGSYNNIMF-HNNXBMFYSA-N 1 1 339.361 3.442 40 0 EGABMO C[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@H]1CCCOC1 ZINC000097099690 323214729 /nfs/dbraw/zinc/21/47/29/323214729.db2.gz BKBOJRUOBCLKKY-LLVKDONJSA-N 1 1 338.249 3.184 40 0 EGABMO C[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)C[C@H]1CCCOC1 ZINC000097099690 323214731 /nfs/dbraw/zinc/21/47/31/323214731.db2.gz BKBOJRUOBCLKKY-LLVKDONJSA-N 1 1 338.249 3.184 40 0 EGABMO C[N@H+](Cc1nc2ccc(Br)cc2[nH]1)C[C@H]1CCCOC1 ZINC000097099690 323214734 /nfs/dbraw/zinc/21/47/34/323214734.db2.gz BKBOJRUOBCLKKY-LLVKDONJSA-N 1 1 338.249 3.184 40 0 EGABMO Cn1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(C2CCCCC2)n1 ZINC000183120384 455233466 /nfs/dbraw/zinc/23/34/66/455233466.db2.gz MUPCTJSTFYAJAX-IRXDYDNUSA-N 1 1 335.517 3.174 40 0 EGABMO Cn1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c(C2CCCCC2)n1 ZINC000183120384 455233469 /nfs/dbraw/zinc/23/34/69/455233469.db2.gz MUPCTJSTFYAJAX-IRXDYDNUSA-N 1 1 335.517 3.174 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccoc1C1CC1 ZINC000241170994 455266835 /nfs/dbraw/zinc/26/68/35/455266835.db2.gz KDJZVIGYJRSXAQ-KDOFPFPSSA-N 1 1 339.439 3.192 40 0 EGABMO CC(C)C(=O)N1CCCc2cc([C@H](O)C[N@H+]3CCC[C@@H](C)C3)ccc21 ZINC000012291372 453354395 /nfs/dbraw/zinc/35/43/95/453354395.db2.gz OPSKSEGKNBSNDR-OXQOHEQNSA-N 1 1 344.499 3.387 40 0 EGABMO O[C@H](c1cccnc1)c1ccccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000012337147 453357408 /nfs/dbraw/zinc/35/74/08/453357408.db2.gz RLDINPRPMRDCEJ-OAQYLSRUSA-N 1 1 349.434 3.079 40 0 EGABMO Cc1cc2nc([C@H]3CCC[N@@H+](C[C@H]4CC=CCC4)C3)cc(N)n2n1 ZINC000012667661 453390720 /nfs/dbraw/zinc/39/07/20/453390720.db2.gz ROFPWHZCLSZMHV-HOTGVXAUSA-N 1 1 325.460 3.156 40 0 EGABMO Cc1cc(NC(=O)CC[N@H+](Cc2cccs2)C[C@H]2CCCO2)no1 ZINC000012979622 453432380 /nfs/dbraw/zinc/43/23/80/453432380.db2.gz FCIWUADNCNEPHS-CQSZACIVSA-N 1 1 349.456 3.054 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC(O)(c2ccccc2C)CC1 ZINC000013996265 453496154 /nfs/dbraw/zinc/49/61/54/453496154.db2.gz PXKFGCBOVWLNJR-GOSISDBHSA-N 1 1 344.499 3.070 40 0 EGABMO CCOC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000081746404 453907263 /nfs/dbraw/zinc/90/72/63/453907263.db2.gz DKTZYONPLPETIL-IEBWSBKVSA-N 1 1 348.462 3.065 40 0 EGABMO CCOC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000081746404 453907268 /nfs/dbraw/zinc/90/72/68/453907268.db2.gz DKTZYONPLPETIL-IEBWSBKVSA-N 1 1 348.462 3.065 40 0 EGABMO NC(=O)C[C@H]([NH3+])c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000044253032 454092620 /nfs/dbraw/zinc/09/26/20/454092620.db2.gz QRNXQIFHEBSRHA-JTQLQIEISA-N 1 1 332.709 3.494 40 0 EGABMO c1csc(C[N@H+]2CC[C@H]3C[C@H](c4nnc(C5CC5)o4)O[C@@H]3C2)c1 ZINC000096046060 454268262 /nfs/dbraw/zinc/26/82/62/454268262.db2.gz FRPKXILBSNPQAN-NWANDNLSSA-N 1 1 331.441 3.361 40 0 EGABMO Cc1ccsc1C[N@H+]1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096042218 454268371 /nfs/dbraw/zinc/26/83/71/454268371.db2.gz BFQTXXXLFVYHSZ-JENIJYKNSA-N 1 1 344.480 3.400 40 0 EGABMO O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](Cc1nccs1)C2 ZINC000096048738 454270809 /nfs/dbraw/zinc/27/08/09/454270809.db2.gz TXICVYKMQDJBOH-INIZCTEOSA-N 1 1 333.482 3.224 40 0 EGABMO Fc1ccc(CN2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096055153 454274337 /nfs/dbraw/zinc/27/43/37/454274337.db2.gz SKEOIBJYTBPYOI-ICSRJNTNSA-N 1 1 344.405 3.302 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)co1 ZINC000096057065 454274705 /nfs/dbraw/zinc/27/47/05/454274705.db2.gz DLQBAGIQYTWPDK-HKUYNNGSSA-N 1 1 328.412 3.125 40 0 EGABMO CCOC[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2cn(CC)nc21 ZINC000096059915 454276237 /nfs/dbraw/zinc/27/62/37/454276237.db2.gz NDWRFMVRHJOAJX-QGZVFWFLSA-N 1 1 329.444 3.048 40 0 EGABMO CCOC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2cn(CC)nc21 ZINC000096059915 454276244 /nfs/dbraw/zinc/27/62/44/454276244.db2.gz NDWRFMVRHJOAJX-QGZVFWFLSA-N 1 1 329.444 3.048 40 0 EGABMO c1cc(C[N@H+]2CCO[C@H]3C[C@H](COCc4cccnc4)C[C@@H]32)cs1 ZINC000096082865 454280233 /nfs/dbraw/zinc/28/02/33/454280233.db2.gz CXZNTOXUFZSLSA-QYZOEREBSA-N 1 1 344.480 3.339 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@H]3C[C@H](COCc4cccnc4)C[C@@H]32)cs1 ZINC000096082865 454280235 /nfs/dbraw/zinc/28/02/35/454280235.db2.gz CXZNTOXUFZSLSA-QYZOEREBSA-N 1 1 344.480 3.339 40 0 EGABMO COc1ccc2c(c1)C1(CCN(Cc3ccncc3)CC1)[N@H+](C)CC2 ZINC000096100218 454282456 /nfs/dbraw/zinc/28/24/56/454282456.db2.gz ALWVFFPUZCWKRD-UHFFFAOYSA-N 1 1 337.467 3.069 40 0 EGABMO c1[nH+]c([C@H]2CN(Cc3ccncc3)CCO2)c2cccc(C3CC3)n12 ZINC000096155861 454293850 /nfs/dbraw/zinc/29/38/50/454293850.db2.gz WJMHSDHPAQCYDH-LJQANCHMSA-N 1 1 334.423 3.180 40 0 EGABMO Fc1cccc(C[N@H+]2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC000096187134 454299188 /nfs/dbraw/zinc/29/91/88/454299188.db2.gz BKNRSQNUKNJISF-AABGKKOBSA-N 1 1 342.414 3.169 40 0 EGABMO CCOC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)[N@H+]1CC1CC1 ZINC000096206702 454304042 /nfs/dbraw/zinc/30/40/42/454304042.db2.gz JPQYRLOHKNPTIF-HXUWFJFHSA-N 1 1 343.515 3.327 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCN(c3ncccc3C)C2)C1 ZINC000096216062 454305301 /nfs/dbraw/zinc/30/53/01/454305301.db2.gz LMDXCONDNIHKSP-HXUWFJFHSA-N 1 1 340.471 3.487 40 0 EGABMO c1ncn2c1C[N@@H+](CCc1ccccc1)C[C@@H](COc1cccnc1)C2 ZINC000096209344 454305566 /nfs/dbraw/zinc/30/55/66/454305566.db2.gz ZJMGXAZFTVAGDT-LJQANCHMSA-N 1 1 348.450 3.032 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCN(c3ncccc3C)C2)C1 ZINC000096216060 454305589 /nfs/dbraw/zinc/30/55/89/454305589.db2.gz LMDXCONDNIHKSP-FQEVSTJZSA-N 1 1 340.471 3.487 40 0 EGABMO CCc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)o1 ZINC000096216840 454306625 /nfs/dbraw/zinc/30/66/25/454306625.db2.gz NWHMYTIXRGRALT-LJQANCHMSA-N 1 1 326.444 3.125 40 0 EGABMO Fc1cccnc1N[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccco1)C2 ZINC000096222992 454309335 /nfs/dbraw/zinc/30/93/35/454309335.db2.gz OZDGSDVDQYQUEW-KBXCAEBGSA-N 1 1 331.391 3.049 40 0 EGABMO c1csc(C[N@H+]2CCO[C@@H]3C[C@@H](COCc4ccccn4)C[C@H]32)c1 ZINC000096250825 454311893 /nfs/dbraw/zinc/31/18/93/454311893.db2.gz XHELEDPQKOSEAG-KFKAGJAMSA-N 1 1 344.480 3.339 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@@H]3C[C@@H](COCc4ccccn4)C[C@H]32)c1 ZINC000096250825 454311896 /nfs/dbraw/zinc/31/18/96/454311896.db2.gz XHELEDPQKOSEAG-KFKAGJAMSA-N 1 1 344.480 3.339 40 0 EGABMO CC(C)[N@@H+](C)CCCCNC(=O)/C=C/c1ccnc2ccccc12 ZINC000096410158 454327941 /nfs/dbraw/zinc/32/79/41/454327941.db2.gz CPNMWEYSRARNBE-ZHACJKMWSA-N 1 1 325.456 3.485 40 0 EGABMO FC(F)C(F)(F)CN1CC[NH+](CCSc2ccccc2)CC1 ZINC000096410345 454328223 /nfs/dbraw/zinc/32/82/23/454328223.db2.gz CCYJUGPVJBNVKG-UHFFFAOYSA-N 1 1 336.398 3.297 40 0 EGABMO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](c2ccccc2C)C2CC2)C1 ZINC000096453066 454356639 /nfs/dbraw/zinc/35/66/39/454356639.db2.gz DKPQSDKITIUUOI-VQIMIIECSA-N 1 1 329.488 3.429 40 0 EGABMO O=C(C[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1)NCc1cccnc1 ZINC000096481042 454363822 /nfs/dbraw/zinc/36/38/22/454363822.db2.gz UDWPDENOQWXMBO-TZIWHRDSSA-N 1 1 335.451 3.099 40 0 EGABMO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000096478603 454364041 /nfs/dbraw/zinc/36/40/41/454364041.db2.gz GCNWWQDKSCLWCN-STQMWFEESA-N 1 1 341.390 3.222 40 0 EGABMO CC(=O)N(c1nc(CNc2ccc(C)[nH+]c2N(C)C)cs1)C1CC1 ZINC000096484031 454366450 /nfs/dbraw/zinc/36/64/50/454366450.db2.gz QEQARQAAKGRJFJ-UHFFFAOYSA-N 1 1 345.472 3.040 40 0 EGABMO Cc1[nH+]ccn1CC1CCN(C(=O)CSc2ccc(F)cc2)CC1 ZINC000062129512 454367919 /nfs/dbraw/zinc/36/79/19/454367919.db2.gz BONWXGDWPAZRSB-UHFFFAOYSA-N 1 1 347.459 3.362 40 0 EGABMO C[C@@H](NC(=O)N(c1ccccc1)c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000096501217 454371877 /nfs/dbraw/zinc/37/18/77/454371877.db2.gz VDRREARQFKBANC-APWZRJJASA-N 1 1 339.439 3.253 40 0 EGABMO C[C@@H](NC(=O)N(c1ccccc1)c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000096501217 454371879 /nfs/dbraw/zinc/37/18/79/454371879.db2.gz VDRREARQFKBANC-APWZRJJASA-N 1 1 339.439 3.253 40 0 EGABMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000108907048 454815842 /nfs/dbraw/zinc/81/58/42/454815842.db2.gz ADKQBIMUXYEMLN-WCQYABFASA-N 1 1 345.270 3.361 40 0 EGABMO COc1cccc([C@H]2[C@@H](NC(=O)c3cc[nH]c3C)CC[N@H+]2C2CC2)c1 ZINC000245526337 455321381 /nfs/dbraw/zinc/32/13/81/455321381.db2.gz ANAFSCMZWPJOLC-OALUTQOASA-N 1 1 339.439 3.040 40 0 EGABMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000175336883 455439307 /nfs/dbraw/zinc/43/93/07/455439307.db2.gz DRVSYJOUTSNECA-BLLLJJGKSA-N 1 1 340.389 3.442 40 0 EGABMO CCOC(=O)c1csc(C2CC[NH+](Cc3cncs3)CC2)n1 ZINC000192036451 455546268 /nfs/dbraw/zinc/54/62/68/455546268.db2.gz JOKUIPNEXWOKTF-UHFFFAOYSA-N 1 1 337.470 3.156 40 0 EGABMO O=C(NCC[C@@H]1C[N@H+](C2CCCC2)Cc2ccnn21)c1ccsc1 ZINC000247522557 455617676 /nfs/dbraw/zinc/61/76/76/455617676.db2.gz YBDIUDJQBLAKDM-MRXNPFEDSA-N 1 1 344.484 3.064 40 0 EGABMO Cc1cccc(CO[C@H]2CSC3(C[NH+](Cc4cccnc4)C3)C2)n1 ZINC000247869881 455651446 /nfs/dbraw/zinc/65/14/46/455651446.db2.gz KQXZBFOGIOFOJS-GOSISDBHSA-N 1 1 341.480 3.062 40 0 EGABMO Cc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2COCc1ccccn1 ZINC000248156064 455689616 /nfs/dbraw/zinc/68/96/16/455689616.db2.gz MAYGPDQQTSZWIM-IBGZPJMESA-N 1 1 338.451 3.198 40 0 EGABMO C[C@H](C[N@@H+]1CCc2nc([C@H]3CCCCN3)ncc2C1)c1ccccc1 ZINC000248168728 455692932 /nfs/dbraw/zinc/69/29/32/455692932.db2.gz QFPMVKDOFNKWCF-OXQOHEQNSA-N 1 1 336.483 3.453 40 0 EGABMO C[C@H](C[N@H+]1CCc2nc([C@H]3CCCCN3)ncc2C1)c1ccccc1 ZINC000248168728 455692934 /nfs/dbraw/zinc/69/29/34/455692934.db2.gz QFPMVKDOFNKWCF-OXQOHEQNSA-N 1 1 336.483 3.453 40 0 EGABMO c1cc2n(n1)[C@@H](CCOCC1CCOCC1)C[N@@H+](CC1CCCC1)C2 ZINC000248338484 455704740 /nfs/dbraw/zinc/70/47/40/455704740.db2.gz RMFYREOXRGDIDQ-FQEVSTJZSA-N 1 1 347.503 3.263 40 0 EGABMO CCN1CC[C@@H]([NH2+]Cc2nnc(C)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252527444 455820677 /nfs/dbraw/zinc/82/06/77/455820677.db2.gz COYYMYVXDBEGFC-GDBMZVCRSA-N 1 1 338.814 3.096 40 0 EGABMO C[C@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000253418523 455842723 /nfs/dbraw/zinc/84/27/23/455842723.db2.gz SISXWYHCAQGLEF-IJXRJRJASA-N 1 1 344.499 3.097 40 0 EGABMO C[C@@H]1CN(C(=O)Nc2ccc(C3CCC3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000253433587 455849875 /nfs/dbraw/zinc/84/98/75/455849875.db2.gz YYIXGVCVMZXCCP-DNVCBOLYSA-N 1 1 343.471 3.139 40 0 EGABMO COc1cc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)ccc1O ZINC000194998229 455910716 /nfs/dbraw/zinc/91/07/16/455910716.db2.gz YPZVEVKWFDLPNX-UHFFFAOYSA-N 1 1 349.377 3.163 40 0 EGABMO CC1(C)[C@H]2C[C@@H]1C(COC[C@@H](O)C[N@H+]1CCc3ccccc3C1)=CC2 ZINC000195541514 455982650 /nfs/dbraw/zinc/98/26/50/455982650.db2.gz DCHBVYQEDRWVSH-QHAWAJNXSA-N 1 1 341.495 3.415 40 0 EGABMO C[N@@H+](CCCCCF)CC(=O)Nc1ccccc1Br ZINC000225465712 456085637 /nfs/dbraw/zinc/08/56/37/456085637.db2.gz GEOROCWVLWOCJS-UHFFFAOYSA-N 1 1 331.229 3.459 40 0 EGABMO CC(C)c1ccc(OCCOC[C@H](O)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000226170690 456106690 /nfs/dbraw/zinc/10/66/90/456106690.db2.gz BOHSPJRSQSIMAL-IEBWSBKVSA-N 1 1 335.488 3.298 40 0 EGABMO Cc1nnc2sc(C3=CC[N@H+](Cc4ccccc4Cl)CC3)nn12 ZINC000226250492 456108000 /nfs/dbraw/zinc/10/80/00/456108000.db2.gz JYDTVONPUWXTDQ-UHFFFAOYSA-N 1 1 345.859 3.437 40 0 EGABMO Cc1nnc2sc(C3=CC[N@@H+](Cc4ccccc4Cl)CC3)nn12 ZINC000226250492 456108005 /nfs/dbraw/zinc/10/80/05/456108005.db2.gz JYDTVONPUWXTDQ-UHFFFAOYSA-N 1 1 345.859 3.437 40 0 EGABMO COCCn1ccnc1[C@@H]1C[N@@H+](Cc2ccccn2)Cc2ccccc21 ZINC000306144569 456569451 /nfs/dbraw/zinc/56/94/51/456569451.db2.gz ZIYOMRAFFJBAEC-HXUWFJFHSA-N 1 1 348.450 3.072 40 0 EGABMO c1cc(-c2ccc3nc([C@@H]4CCC[N@H+](CC5CC5)C4)nn3c2)ccn1 ZINC000306144112 456570149 /nfs/dbraw/zinc/57/01/49/456570149.db2.gz YWISOWQPYCDBDJ-GOSISDBHSA-N 1 1 333.439 3.381 40 0 EGABMO O=C1NCCC[N@@H+](C/C=C/c2ccc(F)cc2)[C@H]1Cc1ccccc1 ZINC000556933300 459034353 /nfs/dbraw/zinc/03/43/53/459034353.db2.gz ASWBZFCYPXZGHM-BFSLETRISA-N 1 1 338.426 3.272 40 0 EGABMO O=C1NCCC[N@H+](C/C=C/c2ccc(F)cc2)[C@H]1Cc1ccccc1 ZINC000556933300 459034355 /nfs/dbraw/zinc/03/43/55/459034355.db2.gz ASWBZFCYPXZGHM-BFSLETRISA-N 1 1 338.426 3.272 40 0 EGABMO O=C1N(Cc2cncs2)C[C@]12CCC[N@@H+](CC1CCCCC1)C2 ZINC000585099427 459822653 /nfs/dbraw/zinc/82/26/53/459822653.db2.gz IXCWJFIYBDIQLD-GOSISDBHSA-N 1 1 333.501 3.148 40 0 EGABMO Cc1nc(CN2C(=O)CC[C@]23CCC[N@H+](CC(C)C)CC3)cs1 ZINC000585100027 459823246 /nfs/dbraw/zinc/82/32/46/459823246.db2.gz CPUKEBNPVZKHPC-SFHVURJKSA-N 1 1 335.517 3.455 40 0 EGABMO Fc1cccc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)c1 ZINC000585105464 459825146 /nfs/dbraw/zinc/82/51/46/459825146.db2.gz XANKDDWZSJUOGO-SFHVURJKSA-N 1 1 344.455 3.497 40 0 EGABMO CNC(=O)CCC[N@@H+](C)Cc1cc(Br)c(Cl)s1 ZINC000191412221 529852220 /nfs/dbraw/zinc/85/22/20/529852220.db2.gz UBBATJHNWGXMPK-UHFFFAOYSA-N 1 1 339.686 3.122 40 0 EGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000038849362 213228692 /nfs/dbraw/zinc/22/86/92/213228692.db2.gz PTFBCBKHGGOFOR-UHFFFAOYSA-N 1 1 335.363 3.221 40 0 EGABMO CC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000036392240 213095842 /nfs/dbraw/zinc/09/58/42/213095842.db2.gz ZHIFIHIACTXESU-NLWGTHIKSA-N 1 1 331.456 3.284 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cc1 ZINC000072355483 216165051 /nfs/dbraw/zinc/16/50/51/216165051.db2.gz LBYPOKLLRUJHCZ-KRWDZBQOSA-N 1 1 349.438 3.051 40 0 EGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc(N)n2n1 ZINC000072339771 216157034 /nfs/dbraw/zinc/15/70/34/216157034.db2.gz LHHSZKHYHTWOEA-CYBMUJFWSA-N 1 1 327.457 3.061 40 0 EGABMO O=c1[nH]c(-c2ccccc2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000072389390 216190180 /nfs/dbraw/zinc/19/01/80/216190180.db2.gz ROKDPRDGDYNGPM-UHFFFAOYSA-N 1 1 335.382 3.134 40 0 EGABMO O=c1[nH]c(-c2ccccc2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000072389390 216190181 /nfs/dbraw/zinc/19/01/81/216190181.db2.gz ROKDPRDGDYNGPM-UHFFFAOYSA-N 1 1 335.382 3.134 40 0 EGABMO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)CC1CCCCC1 ZINC000021580952 212233220 /nfs/dbraw/zinc/23/32/20/212233220.db2.gz RWRAQMMRGZSVLI-UHFFFAOYSA-N 1 1 332.444 3.299 40 0 EGABMO O[C@H](C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)c1ccccc1 ZINC000242196994 243012700 /nfs/dbraw/zinc/01/27/00/243012700.db2.gz XGSSOBXZAQRMTC-HUUCEWRRSA-N 1 1 339.361 3.272 40 0 EGABMO OCc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000241634618 242996766 /nfs/dbraw/zinc/99/67/66/242996766.db2.gz PNVBZAOQMGVEQD-VQTJNVASSA-N 1 1 329.415 3.406 40 0 EGABMO Cc1[nH+]ccn1CCCNC(=O)c1cccc(Oc2nccs2)c1 ZINC000076582934 216794939 /nfs/dbraw/zinc/79/49/39/216794939.db2.gz JBLVFBBNRXFVNA-UHFFFAOYSA-N 1 1 342.424 3.260 40 0 EGABMO COCC[N@H+]1CCC[C@@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000257247843 244260060 /nfs/dbraw/zinc/26/00/60/244260060.db2.gz JAUUQIVLCQNDFI-OAHLLOKOSA-N 1 1 332.835 3.163 40 0 EGABMO CCCn1nccc1-c1cncc(C[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257269014 244370412 /nfs/dbraw/zinc/37/04/12/244370412.db2.gz MOFAYVPITRNAMC-MRXNPFEDSA-N 1 1 327.476 3.413 40 0 EGABMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000019732478 212058516 /nfs/dbraw/zinc/05/85/16/212058516.db2.gz HDLUJNPSWQCBCL-OLZOCXBDSA-N 1 1 332.806 3.260 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000019500948 212033923 /nfs/dbraw/zinc/03/39/23/212033923.db2.gz GWIKTCAIDIIMEL-MAUKXSAKSA-N 1 1 340.471 3.491 40 0 EGABMO CCC[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)n1nc(C)cc1C ZINC000019501823 212033270 /nfs/dbraw/zinc/03/32/70/212033270.db2.gz FBLRHEWWDRBUNR-GOSISDBHSA-N 1 1 334.508 3.222 40 0 EGABMO O=C(c1ccccc1F)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000264048730 246014681 /nfs/dbraw/zinc/01/46/81/246014681.db2.gz DOSBOHFBAJTUAN-UHFFFAOYSA-N 1 1 338.426 3.489 40 0 EGABMO O[C@@]1(c2cccnc2)CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@@H]21 ZINC000012337142 211350520 /nfs/dbraw/zinc/35/05/20/211350520.db2.gz YHQYVBJFVDONSK-HEFCMCLBSA-N 1 1 344.405 3.480 40 0 EGABMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000012147704 211307779 /nfs/dbraw/zinc/30/77/79/211307779.db2.gz GHVUBRAKWHMGKO-OAQYLSRUSA-N 1 1 333.435 3.025 40 0 EGABMO COc1ccc(OC(F)F)c(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093644343 218239109 /nfs/dbraw/zinc/23/91/09/218239109.db2.gz BLHJUEGOKIKWBM-TZMCWYRMSA-N 1 1 328.403 3.211 40 0 EGABMO O=C(CC(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000096405400 218755442 /nfs/dbraw/zinc/75/54/42/218755442.db2.gz UYSGWIVRCRGTOL-GOOCMWNKSA-N 1 1 326.362 3.251 40 0 EGABMO CC1(C)C[C@H]([NH2+]Cc2cc(C(N)=O)cs2)c2ccc(F)cc2O1 ZINC000253423866 275868532 /nfs/dbraw/zinc/86/85/32/275868532.db2.gz JOUARHLBPZXSAP-AWEZNQCLSA-N 1 1 334.416 3.378 40 0 EGABMO Cc1cc(NC(=O)N2CCC[N@H+](C)CC2)nn1-c1cccc(Cl)c1 ZINC000097235717 323215190 /nfs/dbraw/zinc/21/51/90/323215190.db2.gz RHPJNRGJYZHMJL-UHFFFAOYSA-N 1 1 347.850 3.004 40 0 EGABMO C[C@H]1C[C@](O)(CC(O)(c2ccccc2)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC000001085752 452645492 /nfs/dbraw/zinc/64/54/92/452645492.db2.gz RICXMDIFJNHTOE-WFXMLNOXSA-N 1 1 339.479 3.404 40 0 EGABMO COc1ccccc1[C@H](c1nnnn1C(C)(C)C)[NH+]1CCCCCC1 ZINC000004968367 452829129 /nfs/dbraw/zinc/82/91/29/452829129.db2.gz ORHDJIHMVXRYQO-QGZVFWFLSA-N 1 1 343.475 3.402 40 0 EGABMO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000007579531 453087898 /nfs/dbraw/zinc/08/78/98/453087898.db2.gz VFQIOGRXSHSNAP-YOEHRIQHSA-N 1 1 338.879 3.346 40 0 EGABMO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000007579531 453087905 /nfs/dbraw/zinc/08/79/05/453087905.db2.gz VFQIOGRXSHSNAP-YOEHRIQHSA-N 1 1 338.879 3.346 40 0 EGABMO C[NH+]1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000015016638 453551810 /nfs/dbraw/zinc/55/18/10/453551810.db2.gz VNQLASVWDNCRNA-UHFFFAOYSA-N 1 1 338.274 3.324 40 0 EGABMO COc1ccccc1/C=C/C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021601406 453678883 /nfs/dbraw/zinc/67/88/83/453678883.db2.gz UGLHWBYTXGGQKM-VAWYXSNFSA-N 1 1 336.435 3.053 40 0 EGABMO CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)c1 ZINC000025302289 453764913 /nfs/dbraw/zinc/76/49/13/453764913.db2.gz JFSGYWHPLLUQSZ-AUUYWEPGSA-N 1 1 345.414 3.461 40 0 EGABMO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1cccs1)c1cccc(F)c1 ZINC000027591705 453819099 /nfs/dbraw/zinc/81/90/99/453819099.db2.gz KJXRHNVHYXRYNG-OAHLLOKOSA-N 1 1 348.443 3.269 40 0 EGABMO Cc1ccc(C(=O)OCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000031720398 453852431 /nfs/dbraw/zinc/85/24/31/453852431.db2.gz XCEXOFXJYDYUMG-UHFFFAOYSA-N 1 1 325.408 3.184 40 0 EGABMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc(C)s1 ZINC000075324468 453879689 /nfs/dbraw/zinc/87/96/89/453879689.db2.gz ZSHYLTVBTPVXQZ-QGZVFWFLSA-N 1 1 343.496 3.436 40 0 EGABMO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2ccc(Br)cc2)C1 ZINC000082046610 453922313 /nfs/dbraw/zinc/92/23/13/453922313.db2.gz DTXBJGIIRFTGFW-CYBMUJFWSA-N 1 1 341.249 3.331 40 0 EGABMO CC[NH+]1CCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000044839166 454121893 /nfs/dbraw/zinc/12/18/93/454121893.db2.gz AEQLGLHVMVWOEV-UHFFFAOYSA-N 1 1 349.478 3.027 40 0 EGABMO CCc1ncc(C[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)cn1 ZINC000057811124 454147843 /nfs/dbraw/zinc/14/78/43/454147843.db2.gz LMJZWCKUEHSLCA-GOSISDBHSA-N 1 1 329.419 3.359 40 0 EGABMO CCc1ncc(C[N@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)cn1 ZINC000057811124 454147847 /nfs/dbraw/zinc/14/78/47/454147847.db2.gz LMJZWCKUEHSLCA-GOSISDBHSA-N 1 1 329.419 3.359 40 0 EGABMO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccccc3)[nH]2)cc1OCC ZINC000095533493 454230285 /nfs/dbraw/zinc/23/02/85/454230285.db2.gz IYJMYWQKYQZPAT-KRWDZBQOSA-N 1 1 338.411 3.317 40 0 EGABMO c1coc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)c1 ZINC000096040171 454266176 /nfs/dbraw/zinc/26/61/76/454266176.db2.gz ISHJGZWJLXIHDY-VQTJNVASSA-N 1 1 342.439 3.263 40 0 EGABMO c1coc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)c1 ZINC000096039975 454266593 /nfs/dbraw/zinc/26/65/93/454266593.db2.gz PZFFVFBULXQDBU-RBUKOAKNSA-N 1 1 328.412 3.125 40 0 EGABMO c1coc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC000096040220 454267138 /nfs/dbraw/zinc/26/71/38/454267138.db2.gz JJXWLGXJZZLBOO-PMACEKPBSA-N 1 1 342.439 3.263 40 0 EGABMO COc1ccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)cc1 ZINC000096047598 454269403 /nfs/dbraw/zinc/26/94/03/454269403.db2.gz PLQCHCGIHJJJDF-VQIMIIECSA-N 1 1 328.412 3.134 40 0 EGABMO O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](Cc1ccccn1)C2 ZINC000096048747 454271934 /nfs/dbraw/zinc/27/19/34/454271934.db2.gz YJWNMKOPHNDTMJ-GOSISDBHSA-N 1 1 327.453 3.162 40 0 EGABMO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccoc1)CC2 ZINC000096051577 454272708 /nfs/dbraw/zinc/27/27/08/454272708.db2.gz JETXWKFNGLGHRN-KRWDZBQOSA-N 1 1 328.412 3.389 40 0 EGABMO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@H+](Cc4ccco4)[C@H]3C2)n1 ZINC000096055530 454275253 /nfs/dbraw/zinc/27/52/53/454275253.db2.gz YBZOZHFMGKVKTQ-FFZOFVMBSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@@H+](Cc4ccco4)[C@H]3C2)n1 ZINC000096055530 454275261 /nfs/dbraw/zinc/27/52/61/454275261.db2.gz YBZOZHFMGKVKTQ-FFZOFVMBSA-N 1 1 342.439 3.179 40 0 EGABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccccc2Cl)cc1Cl ZINC000072227917 454276209 /nfs/dbraw/zinc/27/62/09/454276209.db2.gz RJBVXHFTRPTXGY-CABCVRRESA-N 1 1 337.206 3.417 40 0 EGABMO COc1cccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)c1 ZINC000072227796 454276302 /nfs/dbraw/zinc/27/63/02/454276302.db2.gz MGIXLOJDMLCGNH-HUUCEWRRSA-N 1 1 337.206 3.417 40 0 EGABMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccn2)[C@H]1Cc1ccccc1 ZINC000096061675 454276292 /nfs/dbraw/zinc/27/62/92/454276292.db2.gz QIRXMRIXRDGDPQ-UXHICEINSA-N 1 1 337.467 3.248 40 0 EGABMO Cc1ccc(C[N@@H+]2Cc3cn(C)nc3[C@@H](COCC3CC3)C2)s1 ZINC000096059857 454277118 /nfs/dbraw/zinc/27/71/18/454277118.db2.gz IDCAAGVPAIDZPY-MRXNPFEDSA-N 1 1 331.485 3.316 40 0 EGABMO Cc1ccc(CN2CCOC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)o1 ZINC000096062394 454278553 /nfs/dbraw/zinc/27/85/53/454278553.db2.gz FEMXWNQWDHYYPO-IBGZPJMESA-N 1 1 346.496 3.374 40 0 EGABMO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC000096080940 454279557 /nfs/dbraw/zinc/27/95/57/454279557.db2.gz LEZCAUONJBUCSR-HDICACEKSA-N 1 1 346.902 3.463 40 0 EGABMO Cc1ccsc1C[N@H+]1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096107615 454284412 /nfs/dbraw/zinc/28/44/12/454284412.db2.gz UKRMBHVKNPGUOX-HKUYNNGSSA-N 1 1 344.480 3.402 40 0 EGABMO CC1(C)C[C@@H](Nc2ccc(CC(N)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000090170399 454289467 /nfs/dbraw/zinc/28/94/67/454289467.db2.gz LESHVYKCKZEZHU-LJQANCHMSA-N 1 1 337.467 3.179 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)s1 ZINC000096184570 454298597 /nfs/dbraw/zinc/29/85/97/454298597.db2.gz XPZPOXFNXXMVIS-CABCVRRESA-N 1 1 333.482 3.002 40 0 EGABMO O=C1CCCN1[C@@H]1CCO[C@]2(CC[N@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000096207885 454304424 /nfs/dbraw/zinc/30/44/24/454304424.db2.gz TVLUSALNJGTSMV-IEBWSBKVSA-N 1 1 348.874 3.086 40 0 EGABMO c1csc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)c1 ZINC000096207604 454304436 /nfs/dbraw/zinc/30/44/36/454304436.db2.gz KGYSYSGSLNPZOH-BMFZPTHFSA-N 1 1 345.468 3.088 40 0 EGABMO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CC(C)C)C3)C2)n1 ZINC000096216248 454306189 /nfs/dbraw/zinc/30/61/89/454306189.db2.gz RYYBLPLHAOSELH-HXUWFJFHSA-N 1 1 329.488 3.251 40 0 EGABMO O=C(Cc1ccccc1)N1CC[C@]2(CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000096228692 454309317 /nfs/dbraw/zinc/30/93/17/454309317.db2.gz PPDIWNINHPFNGU-NRFANRHFSA-N 1 1 338.426 3.245 40 0 EGABMO O=C(Cc1ccccc1)N1CC[C@]2(CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000096228692 454309323 /nfs/dbraw/zinc/30/93/23/454309323.db2.gz PPDIWNINHPFNGU-NRFANRHFSA-N 1 1 338.426 3.245 40 0 EGABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@@H]32)C(=O)N1CC ZINC000096261603 454314231 /nfs/dbraw/zinc/31/42/31/454314231.db2.gz GFYBDEPHAYFLIA-OXFYSEKESA-N 1 1 343.446 3.077 40 0 EGABMO CSC[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000096413103 454330621 /nfs/dbraw/zinc/33/06/21/454330621.db2.gz VYGMZARSVNQRPU-CCNLRDMRSA-N 1 1 347.528 3.233 40 0 EGABMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)C1 ZINC000096453139 454356296 /nfs/dbraw/zinc/35/62/96/454356296.db2.gz WWOKHSIMNGWOCN-CYBMUJFWSA-N 1 1 345.472 3.011 40 0 EGABMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCSC2(CCCCC2)C1 ZINC000096456632 454358698 /nfs/dbraw/zinc/35/86/98/454358698.db2.gz NUFHMODMPVMVIE-HZPDHXFCSA-N 1 1 337.533 3.075 40 0 EGABMO Cc1ncccc1C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000096490051 454368624 /nfs/dbraw/zinc/36/86/24/454368624.db2.gz MWTVPXDEDLVXNC-UHFFFAOYSA-N 1 1 345.393 3.016 40 0 EGABMO Cc1ncccc1C[N@H+]1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000096490051 454368629 /nfs/dbraw/zinc/36/86/29/454368629.db2.gz MWTVPXDEDLVXNC-UHFFFAOYSA-N 1 1 345.393 3.016 40 0 EGABMO C[C@@H]([NH2+]CC(=O)NCc1ccccn1)c1cccc(Cl)c1Cl ZINC000096491900 454369434 /nfs/dbraw/zinc/36/94/34/454369434.db2.gz KLBPEWMVHAJIHK-LLVKDONJSA-N 1 1 338.238 3.355 40 0 EGABMO Cc1ccccc1C[N@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC000107715966 454770171 /nfs/dbraw/zinc/77/01/71/454770171.db2.gz SNOKPHLABLKCRN-PWRODBHTSA-N 1 1 345.483 3.170 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)o1 ZINC000107730567 454770850 /nfs/dbraw/zinc/77/08/50/454770850.db2.gz PABVQIWQFIOTEN-RTBURBONSA-N 1 1 328.412 3.186 40 0 EGABMO Cc1ccc(CN2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)o1 ZINC000107746893 454772331 /nfs/dbraw/zinc/77/23/31/454772331.db2.gz JJGSEOORIJZVGU-APWZRJJASA-N 1 1 330.403 3.065 40 0 EGABMO C[C@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1cccc(F)c1F ZINC000245927711 455401194 /nfs/dbraw/zinc/40/11/94/455401194.db2.gz HWQMXLNTAGFVEC-HEHGZKQESA-N 1 1 337.414 3.152 40 0 EGABMO C[C@@H](C[N@@H+]1CCc2nc([C@H]3CCCCN3)ncc2C1)c1ccccc1 ZINC000248168725 455692824 /nfs/dbraw/zinc/69/28/24/455692824.db2.gz QFPMVKDOFNKWCF-OXJNMPFZSA-N 1 1 336.483 3.453 40 0 EGABMO C[C@@H](C[N@H+]1CCc2nc([C@H]3CCCCN3)ncc2C1)c1ccccc1 ZINC000248168725 455692828 /nfs/dbraw/zinc/69/28/28/455692828.db2.gz QFPMVKDOFNKWCF-OXJNMPFZSA-N 1 1 336.483 3.453 40 0 EGABMO C[C@@H]1Cc2cc([C@@H](O)C[N@H+]3CCC[C@@H](C)C3)ccc2N1C(=O)C1CC1 ZINC000253600955 455854807 /nfs/dbraw/zinc/85/48/07/455854807.db2.gz FDLHJHJBOZDUPA-SXGZJXTBSA-N 1 1 342.483 3.140 40 0 EGABMO Cc1cn(C)c([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257295544 455885129 /nfs/dbraw/zinc/88/51/29/455885129.db2.gz QYTUMFOKOXCJPO-ZDUSSCGKSA-N 1 1 327.457 3.170 40 0 EGABMO Cc1cc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)no1 ZINC000257317720 455890722 /nfs/dbraw/zinc/89/07/22/455890722.db2.gz VKWQMZZDUKYLIZ-PMACEKPBSA-N 1 1 342.439 3.323 40 0 EGABMO Cc1cc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)no1 ZINC000257317720 455890726 /nfs/dbraw/zinc/89/07/26/455890726.db2.gz VKWQMZZDUKYLIZ-PMACEKPBSA-N 1 1 342.439 3.323 40 0 EGABMO CCC[N@@H+]1C[C@H]2c3cc(-c4ccccc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306142401 456566651 /nfs/dbraw/zinc/56/66/51/456566651.db2.gz WYQGOAYLALGFET-PKOBYXMFSA-N 1 1 327.449 3.319 40 0 EGABMO CCC[N@H+]1C[C@H]2c3cc(-c4ccccc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306142401 456566656 /nfs/dbraw/zinc/56/66/56/456566656.db2.gz WYQGOAYLALGFET-PKOBYXMFSA-N 1 1 327.449 3.319 40 0 EGABMO COCC[N@@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCCc2cccnc21 ZINC000364327054 457561742 /nfs/dbraw/zinc/56/17/42/457561742.db2.gz XHVCQZAIXFFTIY-LJQANCHMSA-N 1 1 336.439 3.484 40 0 EGABMO C[C@@H](c1ccccc1)[N@H+]1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099668 459823201 /nfs/dbraw/zinc/82/32/01/459823201.db2.gz WATWQQIJTNYWIC-HNAYVOBHSA-N 1 1 341.480 3.329 40 0 EGABMO Fc1ccccc1C[NH+]1CC2(C1)C[C@H](OCc1cccnc1)CS2 ZINC000585105332 459825165 /nfs/dbraw/zinc/82/51/65/459825165.db2.gz UDSBCMNWCIUSCR-KRWDZBQOSA-N 1 1 344.455 3.497 40 0 EGABMO Cc1cccc(C[NH+]2CC3(C2)C[C@H](Oc2ncccc2F)CS3)n1 ZINC000585105170 459825369 /nfs/dbraw/zinc/82/53/69/459825369.db2.gz PNKJSICOGPPCTF-HNNXBMFYSA-N 1 1 345.443 3.063 40 0 EGABMO CC(C)CC[N@H+]1C[C@H]2CN(c3cc(C(F)(F)F)ncn3)CC[C@H]21 ZINC000585108051 459825530 /nfs/dbraw/zinc/82/55/30/459825530.db2.gz XULICNQAFYJWBC-QWHCGFSZSA-N 1 1 328.382 3.052 40 0 EGABMO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCCN2CCCCC2)[C@H]1O ZINC000585289670 459833368 /nfs/dbraw/zinc/83/33/68/459833368.db2.gz UONWOFDPBNOCBV-CEWLAPEOSA-N 1 1 346.515 3.121 40 0 EGABMO C[N@H+]1CCCC[C@@H](CNC(=O)NCc2cccc3ccsc32)C1 ZINC000624293406 460947542 /nfs/dbraw/zinc/94/75/42/460947542.db2.gz HYQKTPIWKACRIX-AWEZNQCLSA-N 1 1 331.485 3.432 40 0 EGABMO Cc1occc1CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245638726 526820395 /nfs/dbraw/zinc/82/03/95/526820395.db2.gz KASYQRUZOWDAJO-ROUUACIJSA-N 1 1 327.428 3.175 40 0 EGABMO CNc1cnc(C[C@@H]2CCC[N@@H+](Cc3csc(C)n3)CC2)cn1 ZINC000257252844 536421617 /nfs/dbraw/zinc/42/16/17/536421617.db2.gz JWHLWEJJEMJZMR-CQSZACIVSA-N 1 1 331.489 3.128 40 0 EGABMO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126889218 222765602 /nfs/dbraw/zinc/76/56/02/222765602.db2.gz SJNLUQAHIHTRMA-CVEARBPZSA-N 1 1 342.443 3.098 40 0 EGABMO COc1ccc(OCCc2cc([C@H]3CC[N@@H+](CC(C)C)C3)[nH]n2)cc1 ZINC000072371199 216176879 /nfs/dbraw/zinc/17/68/79/216176879.db2.gz UHJGWUNJAOCTFA-INIZCTEOSA-N 1 1 343.471 3.485 40 0 EGABMO COc1ccc(OCCc2cc([C@H]3CC[N@H+](CC(C)C)C3)n[nH]2)cc1 ZINC000072371199 216176883 /nfs/dbraw/zinc/17/68/83/216176883.db2.gz UHJGWUNJAOCTFA-INIZCTEOSA-N 1 1 343.471 3.485 40 0 EGABMO COc1ccc(OCCc2cc([C@H]3CC[N@@H+](CC(C)C)C3)n[nH]2)cc1 ZINC000072371199 216176887 /nfs/dbraw/zinc/17/68/87/216176887.db2.gz UHJGWUNJAOCTFA-INIZCTEOSA-N 1 1 343.471 3.485 40 0 EGABMO Cc1n[nH]c(C)c1NC(=O)CCc1cc(C)nc([C@H]2CCC[N@@H+]2C)c1 ZINC000072366902 216172543 /nfs/dbraw/zinc/17/25/43/216172543.db2.gz VELDVJGYBGARMP-QGZVFWFLSA-N 1 1 341.459 3.068 40 0 EGABMO c1ccc(Nc2nccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)nc1 ZINC000072377633 216179721 /nfs/dbraw/zinc/17/97/21/216179721.db2.gz VQUMMDOISDLQLU-KRWDZBQOSA-N 1 1 346.438 3.390 40 0 EGABMO Cc1ccccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022925489 212336536 /nfs/dbraw/zinc/33/65/36/212336536.db2.gz OPURZESRCSKQEI-GOSISDBHSA-N 1 1 337.467 3.140 40 0 EGABMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCOc2ccccc21 ZINC000225901518 242075283 /nfs/dbraw/zinc/07/52/83/242075283.db2.gz HXVKLQZOXXBQPL-SFHVURJKSA-N 1 1 336.435 3.324 40 0 EGABMO C[N@H+]1CCCC[C@@H]2N(C(=O)c3cc(C(C)(C)C)n[nH]3)CCC[C@@]21C ZINC000257202748 244123466 /nfs/dbraw/zinc/12/34/66/244123466.db2.gz ANGJNFMAEZTEMT-LPHOPBHVSA-N 1 1 332.492 3.186 40 0 EGABMO c1ccc(C[N@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000257209713 244146314 /nfs/dbraw/zinc/14/63/14/244146314.db2.gz BRPGTPNCEMQONR-QGZVFWFLSA-N 1 1 346.438 3.390 40 0 EGABMO CC(C)Cc1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@H+]3C)n(C)n1 ZINC000257225873 244201487 /nfs/dbraw/zinc/20/14/87/244201487.db2.gz FIFFZUWOMVNXJZ-ICSRJNTNSA-N 1 1 346.519 3.098 40 0 EGABMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000020112019 212103495 /nfs/dbraw/zinc/10/34/95/212103495.db2.gz HDLUJNPSWQCBCL-QWHCGFSZSA-N 1 1 332.806 3.260 40 0 biogenic EGABMO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2F)ccn1 ZINC000257267548 244367073 /nfs/dbraw/zinc/36/70/73/244367073.db2.gz MHTHULPSKRVNAT-IBGZPJMESA-N 1 1 345.393 3.333 40 0 EGABMO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2F)ccn1 ZINC000257267548 244367078 /nfs/dbraw/zinc/36/70/78/244367078.db2.gz MHTHULPSKRVNAT-IBGZPJMESA-N 1 1 345.393 3.333 40 0 EGABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)[nH]c(=O)c1C ZINC000019555360 212041236 /nfs/dbraw/zinc/04/12/36/212041236.db2.gz LCSRQXLBGNMPDW-CQSZACIVSA-N 1 1 333.382 3.045 40 0 EGABMO CCC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019499269 212034063 /nfs/dbraw/zinc/03/40/63/212034063.db2.gz ILVYYKLIYYCHFQ-WBVHZDCISA-N 1 1 344.484 3.018 40 0 EGABMO O=C1CCC[C@]2(C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)N1 ZINC000019372602 212022362 /nfs/dbraw/zinc/02/23/62/212022362.db2.gz RWYGDVGFPCVSEV-PZJWPPBQSA-N 1 1 338.426 3.464 40 0 EGABMO OCC[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000078776839 217120692 /nfs/dbraw/zinc/12/06/92/217120692.db2.gz QRQNJXFZIQHWDD-IBGZPJMESA-N 1 1 326.440 3.398 40 0 EGABMO Cc1ccc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c(C)n1 ZINC000078911989 217146260 /nfs/dbraw/zinc/14/62/60/217146260.db2.gz PBPSVUDKUWXDMI-MRXNPFEDSA-N 1 1 339.439 3.344 40 0 EGABMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC000079350335 217212719 /nfs/dbraw/zinc/21/27/19/217212719.db2.gz YZUZQPGEFWEUDE-KRWDZBQOSA-N 1 1 326.444 3.419 40 0 EGABMO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC000079350335 217212721 /nfs/dbraw/zinc/21/27/21/217212721.db2.gz YZUZQPGEFWEUDE-KRWDZBQOSA-N 1 1 326.444 3.419 40 0 EGABMO Cc1ccsc1C[N@@H+](CCCO)Cc1cc2c(cc1C)OCO2 ZINC000012291853 211335435 /nfs/dbraw/zinc/33/54/35/211335435.db2.gz JPGTZGHUKDIDCU-UHFFFAOYSA-N 1 1 333.453 3.478 40 0 EGABMO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1-c1ncco1 ZINC000092929976 218182003 /nfs/dbraw/zinc/18/20/03/218182003.db2.gz XWBXTFFWTFBVKN-HOCLYGCPSA-N 1 1 340.427 3.350 40 0 EGABMO c1cc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)co1 ZINC000306140510 257924004 /nfs/dbraw/zinc/92/40/04/257924004.db2.gz UVXAXFZRNSPOCV-GOSISDBHSA-N 1 1 345.406 3.374 40 0 EGABMO O=C(C1CC1)N1CCC[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306144308 257926203 /nfs/dbraw/zinc/92/62/03/257926203.db2.gz ZCASKUDCGBSSAR-GOSISDBHSA-N 1 1 332.407 3.470 40 0 EGABMO Cc1n[nH]cc1C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000092709887 258066462 /nfs/dbraw/zinc/06/64/62/258066462.db2.gz TXWMJMYZUAMBPJ-UHFFFAOYSA-N 1 1 347.850 3.111 40 0 EGABMO Cc1n[nH]cc1C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000092709887 258066464 /nfs/dbraw/zinc/06/64/64/258066464.db2.gz TXWMJMYZUAMBPJ-UHFFFAOYSA-N 1 1 347.850 3.111 40 0 EGABMO C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)C1 ZINC000036741231 132392786 /nfs/dbraw/zinc/39/27/86/132392786.db2.gz VTPOIGCASOIQLF-YWZLYKJASA-N 1 1 342.483 3.141 40 0 EGABMO COCC[N@H+]1CCCC[C@H]1c1cc(Nc2nccs2)nc(C)n1 ZINC000072382688 274026029 /nfs/dbraw/zinc/02/60/29/274026029.db2.gz VVPAYZIVBMTUFI-AWEZNQCLSA-N 1 1 333.461 3.159 40 0 EGABMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)no1 ZINC000097233659 323215040 /nfs/dbraw/zinc/21/50/40/323215040.db2.gz WDVHZDNIFVSSJT-DOTOQJQBSA-N 1 1 349.381 3.215 40 0 EGABMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)no1 ZINC000097233659 323215041 /nfs/dbraw/zinc/21/50/41/323215041.db2.gz WDVHZDNIFVSSJT-DOTOQJQBSA-N 1 1 349.381 3.215 40 0 EGABMO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCCCc2ccccc2)cc1 ZINC000001715691 452675689 /nfs/dbraw/zinc/67/56/89/452675689.db2.gz RHDNKXYQUZIPEI-UHFFFAOYSA-N 1 1 349.482 3.438 40 0 EGABMO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000012807904 453408606 /nfs/dbraw/zinc/40/86/06/453408606.db2.gz YRQGLKPADYIERU-SFHVURJKSA-N 1 1 338.382 3.259 40 0 EGABMO O=C1NC[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)Oc2ccccc21 ZINC000019371934 453656477 /nfs/dbraw/zinc/65/64/77/453656477.db2.gz GGNONQJFXASSTJ-YLJYHZDGSA-N 1 1 336.435 3.090 40 0 EGABMO CCCC[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000023991655 453720575 /nfs/dbraw/zinc/72/05/75/453720575.db2.gz BGEILKCSNQWDRQ-UHFFFAOYSA-N 1 1 338.473 3.084 40 0 EGABMO CC1(C)CC(N(Cc2ccccn2)C[C@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000036740497 453930785 /nfs/dbraw/zinc/93/07/85/453930785.db2.gz AOLJFMHOBITAEO-MRXNPFEDSA-N 1 1 331.504 3.229 40 0 EGABMO CCn1ncc(C[N@@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)c1C ZINC000057811349 454148236 /nfs/dbraw/zinc/14/82/36/454148236.db2.gz ZJRXIUJLMGQYHW-IBGZPJMESA-N 1 1 343.471 3.401 40 0 EGABMO CCn1ncc(C[N@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)c1C ZINC000057811349 454148240 /nfs/dbraw/zinc/14/82/40/454148240.db2.gz ZJRXIUJLMGQYHW-IBGZPJMESA-N 1 1 343.471 3.401 40 0 EGABMO CCn1cc(C[N@@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)c(C)n1 ZINC000057811361 454148282 /nfs/dbraw/zinc/14/82/82/454148282.db2.gz GXYBMXOWPJFVDR-IBGZPJMESA-N 1 1 343.471 3.401 40 0 EGABMO CCn1cc(C[N@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)c(C)n1 ZINC000057811361 454148283 /nfs/dbraw/zinc/14/82/83/454148283.db2.gz GXYBMXOWPJFVDR-IBGZPJMESA-N 1 1 343.471 3.401 40 0 EGABMO CCc1onc(C)c1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000089446818 454150746 /nfs/dbraw/zinc/15/07/46/454150746.db2.gz CJKBTZCEVCZICG-UHFFFAOYSA-N 1 1 348.472 3.161 40 0 EGABMO CCOc1ccc(-c2nnc([C@H]([NH3+])c3ccc(C)cc3)[nH]2)cc1OC ZINC000095534202 454230598 /nfs/dbraw/zinc/23/05/98/454230598.db2.gz FYSVXQNIEYJXAI-QGZVFWFLSA-N 1 1 338.411 3.236 40 0 EGABMO CCOc1ccc([C@H]([NH3+])c2nnc(-c3cccc(C)c3)[nH]2)cc1OC ZINC000095534314 454231103 /nfs/dbraw/zinc/23/11/03/454231103.db2.gz FVFNIPZXOKIMJB-KRWDZBQOSA-N 1 1 338.411 3.236 40 0 EGABMO Cc1cc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)oc1C ZINC000096041802 454267009 /nfs/dbraw/zinc/26/70/09/454267009.db2.gz XWHOGISIBFOEGM-XUVXKRRUSA-N 1 1 342.439 3.240 40 0 EGABMO Cc1cc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)oc1C ZINC000096041802 454267011 /nfs/dbraw/zinc/26/70/11/454267011.db2.gz XWHOGISIBFOEGM-XUVXKRRUSA-N 1 1 342.439 3.240 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)s1 ZINC000096041815 454267186 /nfs/dbraw/zinc/26/71/86/454267186.db2.gz IMYKJZSDJTYULX-IPMKNSEASA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)s1 ZINC000096041815 454267190 /nfs/dbraw/zinc/26/71/90/454267190.db2.gz IMYKJZSDJTYULX-IPMKNSEASA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)s1 ZINC000096042538 454268241 /nfs/dbraw/zinc/26/82/41/454268241.db2.gz WEQBCFXQPDDEFY-QRVBRYPASA-N 1 1 344.480 3.400 40 0 EGABMO O=C(c1ccsc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096046959 454269613 /nfs/dbraw/zinc/26/96/13/454269613.db2.gz HBXDKVYTUUJPAM-IBGZPJMESA-N 1 1 341.480 3.271 40 0 EGABMO Fc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)cc1 ZINC000096048252 454271542 /nfs/dbraw/zinc/27/15/42/454271542.db2.gz MYFJIVPLFJRIFS-WOJBJXKFSA-N 1 1 342.414 3.423 40 0 EGABMO Cc1ccc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccsc2)C3)nn1 ZINC000096048445 454271813 /nfs/dbraw/zinc/27/18/13/454271813.db2.gz XKXNPPZXEKWQKL-WMZOPIPTSA-N 1 1 344.484 3.082 40 0 EGABMO Cc1ccc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cccs2)C3)nn1 ZINC000096048437 454271829 /nfs/dbraw/zinc/27/18/29/454271829.db2.gz AWXCJRFHAIIYDH-YJBOKZPZSA-N 1 1 344.484 3.082 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)o1 ZINC000096049549 454272855 /nfs/dbraw/zinc/27/28/55/454272855.db2.gz SIVDRQLYCSDWJU-HXUWFJFHSA-N 1 1 341.455 3.102 40 0 EGABMO Cc1cc(N2CCOCC2)[nH+]cc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072219398 454275112 /nfs/dbraw/zinc/27/51/12/454275112.db2.gz ZGVKKPWACLXHJQ-MRXNPFEDSA-N 1 1 347.459 3.299 40 0 EGABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)c1cccs1)[C@H]2C ZINC000096061997 454278480 /nfs/dbraw/zinc/27/84/80/454278480.db2.gz HQOGTEILRDWEDL-ZDUSSCGKSA-N 1 1 332.473 3.002 40 0 EGABMO CC(C)CN1c2ccccc2[C@]2(CC[N@@H+](Cc3nccs3)C2)C1=O ZINC000096100302 454282782 /nfs/dbraw/zinc/28/27/82/454282782.db2.gz IRGUNIUZLUFOII-LJQANCHMSA-N 1 1 341.480 3.289 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](CC3CCOCC3)CC[C@H]2OC)cc1 ZINC000096110269 454285962 /nfs/dbraw/zinc/28/59/62/454285962.db2.gz XLSBUKPKYJNEFS-AZUAARDMSA-N 1 1 333.472 3.001 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)cs1 ZINC000096111169 454287322 /nfs/dbraw/zinc/28/73/22/454287322.db2.gz ITVIPCDVVRJPEW-MSOLQXFVSA-N 1 1 330.453 3.203 40 0 EGABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1coc2ccc(Cl)cc2c1=O ZINC000072324641 454294394 /nfs/dbraw/zinc/29/43/94/454294394.db2.gz CLYIEFQKKICHAM-DOMZBBRYSA-N 1 1 332.831 3.115 40 0 EGABMO Cc1ccsc1C[N@@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC000096207224 454303834 /nfs/dbraw/zinc/30/38/34/454303834.db2.gz VQIRWEZPLKFPDE-MRXNPFEDSA-N 1 1 331.485 3.312 40 0 EGABMO CCOC[C@H]1CCC2(CCN(Cc3ccccc3OC)CC2)[N@H+]1C ZINC000096206780 454304238 /nfs/dbraw/zinc/30/42/38/454304238.db2.gz WYSSDXQQGHGDPF-GOSISDBHSA-N 1 1 332.488 3.161 40 0 EGABMO CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](Cc3cccc(F)c3)C2)O1 ZINC000096218155 454306592 /nfs/dbraw/zinc/30/65/92/454306592.db2.gz BCLQWGCJTWPVEC-UYAOXDASSA-N 1 1 348.462 3.112 40 0 EGABMO Fc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216928 454307436 /nfs/dbraw/zinc/30/74/36/454307436.db2.gz YOEIYCGQGADOPN-IBGZPJMESA-N 1 1 326.419 3.108 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccncc2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096239579 454310897 /nfs/dbraw/zinc/31/08/97/454310897.db2.gz CGPTZCOOEZDYAZ-GOSISDBHSA-N 1 1 344.409 3.214 40 0 EGABMO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000096478607 454364341 /nfs/dbraw/zinc/36/43/41/454364341.db2.gz GCNWWQDKSCLWCN-QWHCGFSZSA-N 1 1 341.390 3.222 40 0 EGABMO COC(=O)c1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000048353877 454477187 /nfs/dbraw/zinc/47/71/87/454477187.db2.gz LXPJDRSQXBWTPO-HNNXBMFYSA-N 1 1 347.459 3.107 40 0 EGABMO COc1cccc(C[N@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)c1 ZINC000049169499 454537536 /nfs/dbraw/zinc/53/75/36/454537536.db2.gz KQZDQCLBHDFCLE-AWEZNQCLSA-N 1 1 325.368 3.328 40 0 biogenic,in-vitro EGABMO c1coc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000107712384 454769934 /nfs/dbraw/zinc/76/99/34/454769934.db2.gz ISHJGZWJLXIHDY-UXHICEINSA-N 1 1 342.439 3.263 40 0 EGABMO C[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1cccc(F)c1F ZINC000245927716 455401650 /nfs/dbraw/zinc/40/16/50/455401650.db2.gz HWQMXLNTAGFVEC-WOSRLPQWSA-N 1 1 337.414 3.152 40 0 EGABMO CC(=O)N1CCc2cc([C@H](O)C[N@H+]3CCC[C@@H]4CCCC[C@H]43)ccc21 ZINC000247961513 455660551 /nfs/dbraw/zinc/66/05/51/455660551.db2.gz VLTGLJGOXUUTIJ-LDQXTDLNSA-N 1 1 342.483 3.284 40 0 EGABMO Cn1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(C2CCCCC2)n1 ZINC000248489298 455716549 /nfs/dbraw/zinc/71/65/49/455716549.db2.gz MUPCTJSTFYAJAX-SJORKVTESA-N 1 1 335.517 3.174 40 0 EGABMO Cn1cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c(C2CCCCC2)n1 ZINC000248489298 455716554 /nfs/dbraw/zinc/71/65/54/455716554.db2.gz MUPCTJSTFYAJAX-SJORKVTESA-N 1 1 335.517 3.174 40 0 EGABMO c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000257329903 455893335 /nfs/dbraw/zinc/89/33/35/455893335.db2.gz XLYWZJSMGCWQMG-ZDUSSCGKSA-N 1 1 325.441 3.308 40 0 EGABMO C[N@H+](Cc1ccc(OCCF)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257340317 455895625 /nfs/dbraw/zinc/89/56/25/455895625.db2.gz ZFLZHECZQCJKTK-QGZVFWFLSA-N 1 1 339.451 3.177 40 0 EGABMO COC(C)(C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260818221 455900715 /nfs/dbraw/zinc/90/07/15/455900715.db2.gz YAXHWRACWMRLSQ-HNNXBMFYSA-N 1 1 334.460 3.161 40 0 EGABMO c1nc2n(c1-c1ccccc1)C[C@@H]1C[N@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306134842 456567195 /nfs/dbraw/zinc/56/71/95/456567195.db2.gz NZLKKQREBNZUGH-OALUTQOASA-N 1 1 330.435 3.249 40 0 EGABMO FC(F)Oc1ccc([C@H]2CN(c3[nH+]cnc4[nH]ccc43)CCO2)cc1 ZINC000369767032 457388903 /nfs/dbraw/zinc/38/89/03/457388903.db2.gz PNJVYEODGQHKQT-CQSZACIVSA-N 1 1 346.337 3.137 40 0 EGABMO COCC[N@H+]1CC[C@@]12CCCN(C(=O)c1cc(C(C)(C)C)oc1C)C2 ZINC000585101879 459824301 /nfs/dbraw/zinc/82/43/01/459824301.db2.gz JYWDFSANAMAFSB-HXUWFJFHSA-N 1 1 348.487 3.212 40 0 EGABMO CCc1nc(C)c(C[N@H+]2CC[C@@H](OC)[C@H](Cc3ccccc3)C2)[nH]1 ZINC000585279516 459832241 /nfs/dbraw/zinc/83/22/41/459832241.db2.gz ZIKDTIARMWSLSN-IEBWSBKVSA-N 1 1 327.472 3.360 40 0 EGABMO CCOc1cccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000225737076 535469724 /nfs/dbraw/zinc/46/97/24/535469724.db2.gz LAAYUNVJMJCZDZ-OAHLLOKOSA-N 1 1 335.517 3.494 40 0 EGABMO COc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](c2nc(C)c[nH]2)C1 ZINC000257262711 537042500 /nfs/dbraw/zinc/04/25/00/537042500.db2.gz LMNCKUCFGMIHFL-LJQANCHMSA-N 1 1 337.423 3.453 40 0 EGABMO COc1ccc2ccccc2c1C[N@H+]1CCO[C@@H](c2nc(C)c[nH]2)C1 ZINC000257262711 537042502 /nfs/dbraw/zinc/04/25/02/537042502.db2.gz LMNCKUCFGMIHFL-LJQANCHMSA-N 1 1 337.423 3.453 40 0 EGABMO COc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+]2C2CCOCC2)c1 ZINC000257230959 537062171 /nfs/dbraw/zinc/06/21/71/537062171.db2.gz GEPPEOCXQJQWBV-GOSISDBHSA-N 1 1 327.428 3.401 40 0 EGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]2N1Cc1ccccc1 ZINC000306128916 547459986 /nfs/dbraw/zinc/45/99/86/547459986.db2.gz HOHVNQPPGQKCTE-UXHICEINSA-N 1 1 347.418 3.163 40 0 EGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2N1Cc1ccccc1 ZINC000306128916 547459989 /nfs/dbraw/zinc/45/99/89/547459989.db2.gz HOHVNQPPGQKCTE-UXHICEINSA-N 1 1 347.418 3.163 40 0 EGABMO CC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CCO2 ZINC000306132256 547460598 /nfs/dbraw/zinc/46/05/98/547460598.db2.gz LDAAOGODECCYJB-CTAFRAEOSA-N 1 1 346.515 3.129 40 0 EGABMO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccs2)n1 ZINC000097953715 219064725 /nfs/dbraw/zinc/06/47/25/219064725.db2.gz KFRGZWUAMAHDSR-IPMKNSEASA-N 1 1 344.480 3.400 40 0 EGABMO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccs2)n1 ZINC000097953715 219064728 /nfs/dbraw/zinc/06/47/28/219064728.db2.gz KFRGZWUAMAHDSR-IPMKNSEASA-N 1 1 344.480 3.400 40 0 EGABMO Cc1cc(C)c(C)c(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000004305231 210164585 /nfs/dbraw/zinc/16/45/85/210164585.db2.gz NSUPENCYWPKROY-HXUWFJFHSA-N 1 1 325.452 3.410 40 0 EGABMO C[N@@H+](Cc1cc2ccccc2o1)C1CCN(CCn2cccn2)CC1 ZINC000178529970 529981028 /nfs/dbraw/zinc/98/10/28/529981028.db2.gz RQIGCWJUUGFVLB-UHFFFAOYSA-N 1 1 338.455 3.226 40 0 EGABMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)CC[C@@H]2N1C1CC1 ZINC000189737313 237200527 /nfs/dbraw/zinc/20/05/27/237200527.db2.gz VQBIFUIXXIUVEY-DYVFJYSZSA-N 1 1 336.838 3.454 40 0 EGABMO COc1cccc(C[N@H+]2CCCC[C@H]3CN(C(=O)C4CCC4)C[C@H]32)c1 ZINC000072330631 216154510 /nfs/dbraw/zinc/15/45/10/216154510.db2.gz NACMAXHHDCFCAE-AZUAARDMSA-N 1 1 342.483 3.308 40 0 EGABMO Cn1cncc1C[N@@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 ZINC000072363147 216169828 /nfs/dbraw/zinc/16/98/28/216169828.db2.gz ISOGQUXWHMPAMG-MRXNPFEDSA-N 1 1 349.438 3.382 40 0 EGABMO Cn1cncc1C[N@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 ZINC000072363147 216169831 /nfs/dbraw/zinc/16/98/31/216169831.db2.gz ISOGQUXWHMPAMG-MRXNPFEDSA-N 1 1 349.438 3.382 40 0 EGABMO c1ccc(C[N@H+]2CCC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)nc1 ZINC000072377652 216178663 /nfs/dbraw/zinc/17/86/63/216178663.db2.gz IAUNHGBBGCTRRS-MRXNPFEDSA-N 1 1 346.438 3.390 40 0 EGABMO COc1ccc(OCCc2cc([C@@H]3CC[N@@H+](CC(C)C)C3)[nH]n2)cc1 ZINC000072371200 216177796 /nfs/dbraw/zinc/17/77/96/216177796.db2.gz UHJGWUNJAOCTFA-MRXNPFEDSA-N 1 1 343.471 3.485 40 0 EGABMO COc1ccc(OCCc2cc([C@@H]3CC[N@H+](CC(C)C)C3)n[nH]2)cc1 ZINC000072371200 216177799 /nfs/dbraw/zinc/17/77/99/216177799.db2.gz UHJGWUNJAOCTFA-MRXNPFEDSA-N 1 1 343.471 3.485 40 0 EGABMO COc1ccc(OCCc2cc([C@@H]3CC[N@@H+](CC(C)C)C3)n[nH]2)cc1 ZINC000072371200 216177803 /nfs/dbraw/zinc/17/78/03/216177803.db2.gz UHJGWUNJAOCTFA-MRXNPFEDSA-N 1 1 343.471 3.485 40 0 EGABMO Clc1ccccc1C[N@H+]1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000072393828 216192317 /nfs/dbraw/zinc/19/23/17/216192317.db2.gz QVMLEOXPOLELDG-ZDUSSCGKSA-N 1 1 327.819 3.386 40 0 EGABMO O=C([C@H]1CCC[C@]12CC[N@H+](Cc1cncc(Cl)c1)C2)N1CCCC1 ZINC000108533843 219901660 /nfs/dbraw/zinc/90/16/60/219901660.db2.gz AQSZHHXBEIPVSO-IEBWSBKVSA-N 1 1 347.890 3.350 40 0 EGABMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(-c2cccs2)nc1C ZINC000257173784 244065729 /nfs/dbraw/zinc/06/57/29/244065729.db2.gz WZGLHVQBSTUPAH-UHFFFAOYSA-N 1 1 340.452 3.444 40 0 EGABMO CNC(=O)c1sc2nc([C@]3(C)CCC[N@H+](C(C)C)C3)ccc2c1N ZINC000257208162 244140555 /nfs/dbraw/zinc/14/05/55/244140555.db2.gz BLADLXLYAKQVKI-GOSISDBHSA-N 1 1 346.500 3.000 40 0 EGABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2ncc(C)s2)C1 ZINC000257223979 244193617 /nfs/dbraw/zinc/19/36/17/244193617.db2.gz DZTIXJPVWIOGCM-CQSZACIVSA-N 1 1 332.473 3.007 40 0 EGABMO COc1ccc2c(c1)OCC(C[N@@H+](C)CCCn1nc(C)cc1C)=C2 ZINC000019717657 212057522 /nfs/dbraw/zinc/05/75/22/212057522.db2.gz RQFMPNIFJREYLA-UHFFFAOYSA-N 1 1 341.455 3.306 40 0 EGABMO Fc1cccc(C[N@H+]2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)c1 ZINC000019293910 212013188 /nfs/dbraw/zinc/01/31/88/212013188.db2.gz QAICJWAMQPSBSM-AEFFLSMTSA-N 1 1 349.413 3.099 40 0 EGABMO Cn1nc([C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)c2nccnc21 ZINC000019289372 212011366 /nfs/dbraw/zinc/01/13/66/212011366.db2.gz JLSLFPAUNXZFSY-ZDUSSCGKSA-N 1 1 343.381 3.021 40 0 EGABMO Cc1ccsc1C(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000078917435 217147151 /nfs/dbraw/zinc/14/71/51/217147151.db2.gz AODUVFAXYUGTMB-UHFFFAOYSA-N 1 1 349.525 3.463 40 0 EGABMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)N(C)Cc1ccco1)CCC2 ZINC000079354256 217214358 /nfs/dbraw/zinc/21/43/58/217214358.db2.gz KOUCSBUNBOYJLW-HNNXBMFYSA-N 1 1 333.457 3.012 40 0 EGABMO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)N(C)Cc1ccco1)CCC2 ZINC000079354256 217214359 /nfs/dbraw/zinc/21/43/59/217214359.db2.gz KOUCSBUNBOYJLW-HNNXBMFYSA-N 1 1 333.457 3.012 40 0 EGABMO Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012185043 211312112 /nfs/dbraw/zinc/31/21/12/211312112.db2.gz GZJHBYMSSLYDFO-UHFFFAOYSA-N 1 1 331.419 3.304 40 0 EGABMO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)n1cnc2ccccc21 ZINC000012148557 211307302 /nfs/dbraw/zinc/30/73/02/211307302.db2.gz SGFVFIPOMBHZGP-WMZOPIPTSA-N 1 1 342.487 3.224 40 0 EGABMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1(Cl)Cl ZINC000096432966 218808927 /nfs/dbraw/zinc/80/89/27/218808927.db2.gz BGFZCIWJHPROPP-CABCVRRESA-N 1 1 341.282 3.161 40 0 EGABMO C[NH+](C)[C@H](C(=O)NCCOc1ccccc1Cl)c1ccccc1 ZINC000164293534 226062635 /nfs/dbraw/zinc/06/26/35/226062635.db2.gz DPRYMRGHWSLACJ-KRWDZBQOSA-N 1 1 332.831 3.138 40 0 EGABMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccccc3F)[C@@H](C)C2)s1 ZINC000239367404 455261712 /nfs/dbraw/zinc/26/17/12/455261712.db2.gz AIOPLLZVLIPHGT-SJCJKPOMSA-N 1 1 347.459 3.231 40 0 EGABMO COc1cc(CC[C@H]2c3cc(O)c(OC)cc3CC[N@@H+]2C)ccc1O ZINC000003847475 452785159 /nfs/dbraw/zinc/78/51/59/452785159.db2.gz SQOGYRBPCGNZFV-INIZCTEOSA-N 1 1 343.423 3.277 40 0 EGABMO CCC[N@H+]1C[C@H](C[S@](C)=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000005834050 452905259 /nfs/dbraw/zinc/90/52/59/452905259.db2.gz WOIHSNDTPKFAJW-APQAJVFDSA-N 1 1 330.497 3.287 40 0 EGABMO CCOc1c(Cl)cc(C(=O)N2CC[NH+](CC)CC2)cc1Cl ZINC000016265985 453598789 /nfs/dbraw/zinc/59/87/89/453598789.db2.gz CEOJEQYHVGXBIC-UHFFFAOYSA-N 1 1 331.243 3.170 40 0 EGABMO CC(C)COc1ccccc1C[N@H+]1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713210 453658333 /nfs/dbraw/zinc/65/83/33/453658333.db2.gz ORESHKIEYHVPRH-ZWKOTPCHSA-N 1 1 330.472 3.355 40 0 EGABMO CCCC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@H](C)CC ZINC000026650608 453803570 /nfs/dbraw/zinc/80/35/70/453803570.db2.gz RQJGONUMUVXSCF-OAHLLOKOSA-N 1 1 333.476 3.228 40 0 EGABMO Cc1csc(C2([NH2+]Cc3cc(=O)n4ccccc4n3)CCCC2)n1 ZINC000081596108 453892783 /nfs/dbraw/zinc/89/27/83/453892783.db2.gz OQVXNGIVMQTEOA-UHFFFAOYSA-N 1 1 340.452 3.019 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2OCCC[C@]2(COCC2CCC2)C1 ZINC000096040286 454266845 /nfs/dbraw/zinc/26/68/45/454266845.db2.gz DGJMIOUXNXTKSN-WOJBJXKFSA-N 1 1 348.487 3.479 40 0 EGABMO Cc1cc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)oc1C ZINC000096042215 454268435 /nfs/dbraw/zinc/26/84/35/454268435.db2.gz XWHOGISIBFOEGM-SLFFLAALSA-N 1 1 342.439 3.240 40 0 EGABMO Cc1cc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)oc1C ZINC000096042215 454268438 /nfs/dbraw/zinc/26/84/38/454268438.db2.gz XWHOGISIBFOEGM-SLFFLAALSA-N 1 1 342.439 3.240 40 0 EGABMO c1cc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)cs1 ZINC000096042231 454268662 /nfs/dbraw/zinc/26/86/62/454268662.db2.gz BLMGHFBLBNTNKR-OKZBNKHCSA-N 1 1 330.453 3.092 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)cs1 ZINC000096042231 454268665 /nfs/dbraw/zinc/26/86/65/454268665.db2.gz BLMGHFBLBNTNKR-OKZBNKHCSA-N 1 1 330.453 3.092 40 0 EGABMO O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](Cc1cccnc1)C2 ZINC000096048748 454271661 /nfs/dbraw/zinc/27/16/61/454271661.db2.gz MGMOLEYSAQIFTR-SFHVURJKSA-N 1 1 327.453 3.162 40 0 EGABMO Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2=O)c1 ZINC000096053703 454272658 /nfs/dbraw/zinc/27/26/58/454272658.db2.gz OBHKMTBAWIJAMP-WMZOPIPTSA-N 1 1 326.465 3.147 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccco2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096051140 454273000 /nfs/dbraw/zinc/27/30/00/454273000.db2.gz SELGKGLSDVYEJI-QGZVFWFLSA-N 1 1 333.382 3.412 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2csc(C)n2)s1 ZINC000096055635 454275471 /nfs/dbraw/zinc/27/54/71/454275471.db2.gz OQJONMPNRNOUDO-JKSUJKDBSA-N 1 1 347.509 3.197 40 0 EGABMO c1csc(C[N@@H+]2C[C@@H](OCc3ccncc3)[C@@H]3OCCC[C@@H]32)c1 ZINC000096058127 454276194 /nfs/dbraw/zinc/27/61/94/454276194.db2.gz XHCCASSEDVVPHM-RCCFBDPRSA-N 1 1 330.453 3.092 40 0 EGABMO O=C(CCc1cccnc1)N1CC[C@]2(CCC[N@H+]2CC2CCCC2)C1 ZINC000096071076 454278149 /nfs/dbraw/zinc/27/81/49/454278149.db2.gz FRQVIBWTJKZJRE-OAQYLSRUSA-N 1 1 341.499 3.271 40 0 EGABMO Cc1nc(C[N@H+]2CCCC23CCN(C(=O)c2ccoc2)CC3)cs1 ZINC000096075307 454279862 /nfs/dbraw/zinc/27/98/62/454279862.db2.gz UASVCYQVTJHJRC-UHFFFAOYSA-N 1 1 345.468 3.315 40 0 EGABMO Fc1cccnc1O[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccco1)C2 ZINC000096107392 454285043 /nfs/dbraw/zinc/28/50/43/454285043.db2.gz JWUWCCCKEDTABV-QAPCUYQASA-N 1 1 332.375 3.016 40 0 EGABMO COc1ccc2[nH]c(CO[C@H]3C[N@@H+](CCC(C)C)C[C@H]3F)nc2c1 ZINC000096112264 454287645 /nfs/dbraw/zinc/28/76/45/454287645.db2.gz VGGSPHRGAYZHCB-PBHICJAKSA-N 1 1 335.423 3.157 40 0 biogenic,in-vitro EGABMO COc1ccc2nc(CO[C@H]3C[N@H+](CCC(C)C)C[C@H]3F)[nH]c2c1 ZINC000096112264 454287649 /nfs/dbraw/zinc/28/76/49/454287649.db2.gz VGGSPHRGAYZHCB-PBHICJAKSA-N 1 1 335.423 3.157 40 0 biogenic,in-vitro EGABMO COc1ccc2nc(CO[C@H]3C[N@@H+](CCC(C)C)C[C@H]3F)[nH]c2c1 ZINC000096112264 454287653 /nfs/dbraw/zinc/28/76/53/454287653.db2.gz VGGSPHRGAYZHCB-PBHICJAKSA-N 1 1 335.423 3.157 40 0 biogenic,in-vitro EGABMO O=C1N[C@]2(C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccsc2)Nc2ccccc21 ZINC000072327431 454294328 /nfs/dbraw/zinc/29/43/28/454294328.db2.gz JPBNVOGPBDKEAF-SKDZVZGDSA-N 1 1 325.437 3.037 40 0 EGABMO O=C1N[C@]2(C[C@H]3CC[C@@H]2[N@H+]3Cc2ccsc2)Nc2ccccc21 ZINC000072327431 454294333 /nfs/dbraw/zinc/29/43/33/454294333.db2.gz JPBNVOGPBDKEAF-SKDZVZGDSA-N 1 1 325.437 3.037 40 0 EGABMO Cc1nc(C[N@@H+]2CCC[C@]3(C[C@H](Nc4ccccn4)CO3)C2)cs1 ZINC000096222922 454309059 /nfs/dbraw/zinc/30/90/59/454309059.db2.gz QVHISMZMIDJTDG-YJBOKZPZSA-N 1 1 344.484 3.082 40 0 EGABMO Cc1nc(C[N@H+]2CCC[C@]3(C[C@H](Nc4ccccn4)CO3)C2)cs1 ZINC000096222922 454309066 /nfs/dbraw/zinc/30/90/66/454309066.db2.gz QVHISMZMIDJTDG-YJBOKZPZSA-N 1 1 344.484 3.082 40 0 EGABMO Cc1nc(CN2CC[C@]3(CCC[N@@H+](Cc4ccoc4)C3)C2=O)cs1 ZINC000096224370 454309506 /nfs/dbraw/zinc/30/95/06/454309506.db2.gz QGJANOZGHWRSTP-SFHVURJKSA-N 1 1 345.468 3.059 40 0 EGABMO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096245483 454311210 /nfs/dbraw/zinc/31/12/10/454311210.db2.gz PEXMFTUKJOGULG-OKILXGFUSA-N 1 1 347.871 3.001 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1 ZINC000096254389 454313003 /nfs/dbraw/zinc/31/30/03/454313003.db2.gz HSDHKGSGMXOZSK-UHFFFAOYSA-N 1 1 340.402 3.421 40 0 EGABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4F)C[C@@H]32)C(=O)N1CC ZINC000096261615 454314064 /nfs/dbraw/zinc/31/40/64/454314064.db2.gz SUQWJODGICREMH-PTSWNOGYSA-N 1 1 343.446 3.077 40 0 EGABMO CC(C)[N@H+](C)CC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000096406451 454324658 /nfs/dbraw/zinc/32/46/58/454324658.db2.gz DFWFVWRAPZXTAC-DEOSSOPVSA-N 1 1 344.480 3.273 40 0 EGABMO CC(C)[N@@H+](C)CC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000096406451 454324662 /nfs/dbraw/zinc/32/46/62/454324662.db2.gz DFWFVWRAPZXTAC-DEOSSOPVSA-N 1 1 344.480 3.273 40 0 EGABMO Cc1[nH+]ccn1CCCC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000096407885 454325117 /nfs/dbraw/zinc/32/51/17/454325117.db2.gz ONKLSHCLHUPAOC-GOSISDBHSA-N 1 1 343.471 3.119 40 0 EGABMO C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000096421056 454335482 /nfs/dbraw/zinc/33/54/82/454335482.db2.gz XSRNZOKOWNMHTP-FUHWJXTLSA-N 1 1 341.455 3.199 40 0 EGABMO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(=O)n3ccccc3n2)s1 ZINC000096424511 454338288 /nfs/dbraw/zinc/33/82/88/454338288.db2.gz CGUQMBOPSGFOEP-ZDUSSCGKSA-N 1 1 342.468 3.215 40 0 EGABMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(=O)n3ccccc3n2)s1 ZINC000096424511 454338292 /nfs/dbraw/zinc/33/82/92/454338292.db2.gz CGUQMBOPSGFOEP-ZDUSSCGKSA-N 1 1 342.468 3.215 40 0 EGABMO CNC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000096441728 454350786 /nfs/dbraw/zinc/35/07/86/454350786.db2.gz CTDZZXLQJBZHCI-UXHICEINSA-N 1 1 338.451 3.134 40 0 EGABMO CC(C)Cc1nnc([C@H](C)N2CCN(c3cc[nH+]cc3Cl)CC2)o1 ZINC000096487496 454367422 /nfs/dbraw/zinc/36/74/22/454367422.db2.gz SXUYQQHCFOQYOT-ZDUSSCGKSA-N 1 1 349.866 3.200 40 0 EGABMO Cc1ccc(C[C@@H](C)NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000176278988 454721532 /nfs/dbraw/zinc/72/15/32/454721532.db2.gz QIIPJSGFEZXPSQ-CJNGLKHVSA-N 1 1 346.500 3.367 40 0 EGABMO Cc1occc1CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179205616 455019812 /nfs/dbraw/zinc/01/98/12/455019812.db2.gz KASYQRUZOWDAJO-QZTJIDSGSA-N 1 1 327.428 3.175 40 0 EGABMO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000191081151 455437930 /nfs/dbraw/zinc/43/79/30/455437930.db2.gz OJFXPUIDTXKHOV-UHFFFAOYSA-N 1 1 329.362 3.395 40 0 EGABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@H]3COCc2cccnc2)cc1 ZINC000248089114 455680302 /nfs/dbraw/zinc/68/03/02/455680302.db2.gz LBQJIVZZNDXMTN-FQEVSTJZSA-N 1 1 338.451 3.198 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)o1 ZINC000248117133 455681562 /nfs/dbraw/zinc/68/15/62/455681562.db2.gz STWOGAGBXPFSIH-ICSRJNTNSA-N 1 1 342.439 3.433 40 0 EGABMO COc1ccccc1[C@H](CNC(=O)c1ccoc1C1CC1)[NH+](C)C ZINC000252478278 455807650 /nfs/dbraw/zinc/80/76/50/455807650.db2.gz AHXUCBZYAMFIQH-INIZCTEOSA-N 1 1 328.412 3.198 40 0 EGABMO Cc1nnc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000253418488 455842778 /nfs/dbraw/zinc/84/27/78/455842778.db2.gz QYXBSRYVHXQKCR-WMLDXEAASA-N 1 1 330.501 3.331 40 0 EGABMO C[N@H+](Cc1ncc(C(C)(C)C)s1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000253429403 455847211 /nfs/dbraw/zinc/84/72/11/455847211.db2.gz SZEVEMQMLRLXDY-CQSZACIVSA-N 1 1 345.516 3.331 40 0 EGABMO C[N@@H+](Cc1ncc(C(C)(C)C)s1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000253429403 455847214 /nfs/dbraw/zinc/84/72/14/455847214.db2.gz SZEVEMQMLRLXDY-CQSZACIVSA-N 1 1 345.516 3.331 40 0 EGABMO Cc1nn(C)c2nc([C@@]3(C)CCC[N@@H+](Cc4cncs4)C3)ccc12 ZINC000257307048 455888097 /nfs/dbraw/zinc/88/80/97/455888097.db2.gz SWZSVRGHOTZCFC-SFHVURJKSA-N 1 1 341.484 3.287 40 0 EGABMO CCOc1ccc(C[N@H+]2CCC[C@H](Cc3n[nH]cc3C)C2)cc1CO ZINC000257344148 455896694 /nfs/dbraw/zinc/89/66/94/455896694.db2.gz ZVYSEETZSBUUNZ-MRXNPFEDSA-N 1 1 343.471 3.064 40 0 EGABMO CC(=O)c1csc(C(=O)Nc2ccc3c(c2)N(C)CC[N@@H+](C)C3)c1 ZINC000195579310 455988886 /nfs/dbraw/zinc/98/88/86/455988886.db2.gz BPQQNLJXMXNCQL-UHFFFAOYSA-N 1 1 343.452 3.085 40 0 EGABMO Cc1cc(-n2cc(C(=O)OCc3ccccc3)nn2)c2ccccc2[nH+]1 ZINC000218790460 456035358 /nfs/dbraw/zinc/03/53/58/456035358.db2.gz BIKSDKUHPQKREA-UHFFFAOYSA-N 1 1 344.374 3.481 40 0 EGABMO CCc1ccc(OCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000225165418 456074342 /nfs/dbraw/zinc/07/43/42/456074342.db2.gz ATHNXHJQEGIGEI-IBGZPJMESA-N 1 1 326.440 3.047 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(OC)nc1 ZINC000225585174 456094421 /nfs/dbraw/zinc/09/44/21/456094421.db2.gz NTQGLAJULMFWNT-HNNXBMFYSA-N 1 1 336.505 3.031 40 0 EGABMO Cc1csc(C(=O)N2CC[C@@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000225684266 456102830 /nfs/dbraw/zinc/10/28/30/456102830.db2.gz VGAOMGSHQYGNHM-QGZVFWFLSA-N 1 1 326.465 3.329 40 0 EGABMO Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]3C[C@@H]3CCCO3)C2)c(C)c1 ZINC000585102045 459823896 /nfs/dbraw/zinc/82/38/96/459823896.db2.gz OPLGIKQLYLIBCZ-GHTZIAJQSA-N 1 1 342.483 3.163 40 0 EGABMO CN(C)c1ccc(C(=O)N2CCC[C@]3(CC[N@H+]3C)C2)c2ccccc21 ZINC000585102109 459824296 /nfs/dbraw/zinc/82/42/96/459824296.db2.gz RVXCPJPGDBJLLL-NRFANRHFSA-N 1 1 337.467 3.216 40 0 EGABMO COCC[N@H+]1CC[C@]12CCCN(C(=O)c1cc(C(C)(C)C)oc1C)C2 ZINC000585101878 459824334 /nfs/dbraw/zinc/82/43/34/459824334.db2.gz JYWDFSANAMAFSB-FQEVSTJZSA-N 1 1 348.487 3.212 40 0 EGABMO COc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000026781136 1291279958 /nfs/dbraw/zinc/27/99/58/1291279958.db2.gz SGTHNUUVQVXDIQ-HZPDHXFCSA-N 1 1 335.488 3.464 40 0 EGABMO Brc1ccc(-n2nnnc2/C=C/[NH+]2CCCCCC2)cc1 ZINC000055135623 214279211 /nfs/dbraw/zinc/27/92/11/214279211.db2.gz BUPIRNHJAYPEOZ-FMIVXFBMSA-N 1 1 348.248 3.272 40 0 EGABMO COc1ccc(CCC(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000004027896 210103024 /nfs/dbraw/zinc/10/30/24/210103024.db2.gz KPGBJVACMGXSOF-PKOBYXMFSA-N 1 1 331.456 3.436 40 0 biogenic EGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cc1 ZINC000072355484 216164985 /nfs/dbraw/zinc/16/49/85/216164985.db2.gz LBYPOKLLRUJHCZ-QGZVFWFLSA-N 1 1 349.438 3.051 40 0 EGABMO Cc1nccn1-c1nccnc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072350541 216162132 /nfs/dbraw/zinc/16/21/32/216162132.db2.gz JWYDSVYREGKLJU-LJQANCHMSA-N 1 1 347.466 3.393 40 0 EGABMO CC(C)(C)C[N@H+]1CCC[C@@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000072361895 216169213 /nfs/dbraw/zinc/16/92/13/216169213.db2.gz YKEJVWOGJKNQLL-CQSZACIVSA-N 1 1 326.448 3.236 40 0 EGABMO c1cncc(Oc2cncc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072383630 216183698 /nfs/dbraw/zinc/18/36/98/216183698.db2.gz KHJXCLYFKJYSGK-QGZVFWFLSA-N 1 1 347.422 3.439 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000072390049 216190752 /nfs/dbraw/zinc/19/07/52/216190752.db2.gz YKWIDEYIIXEEHZ-INIZCTEOSA-N 1 1 335.411 3.215 40 0 EGABMO COc1ccccc1COC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000073368805 216381333 /nfs/dbraw/zinc/38/13/33/216381333.db2.gz KKFLYCQTSJXWSB-VQTJNVASSA-N 1 1 341.451 3.410 40 0 EGABMO O=C(CC[NH+]1CCN(Cc2cccs2)CC1)Nc1cccc(F)c1 ZINC000022932869 212336089 /nfs/dbraw/zinc/33/60/89/212336089.db2.gz VKHJATRBAPNHIY-UHFFFAOYSA-N 1 1 347.459 3.034 40 0 EGABMO CC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)CCOc1cc(C)cc(C)c1 ZINC000022011650 212270099 /nfs/dbraw/zinc/27/00/99/212270099.db2.gz BECHAXQWLJXFSZ-KRWDZBQOSA-N 1 1 345.443 3.328 40 0 EGABMO CC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](C)CCOc1cc(C)cc(C)c1 ZINC000022011650 212270102 /nfs/dbraw/zinc/27/01/02/212270102.db2.gz BECHAXQWLJXFSZ-KRWDZBQOSA-N 1 1 345.443 3.328 40 0 EGABMO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2n[nH]cc2C)cc1CO ZINC000257217488 244168918 /nfs/dbraw/zinc/16/89/18/244168918.db2.gz CZEGZQYWEJYOQC-KRWDZBQOSA-N 1 1 329.444 3.336 40 0 EGABMO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2n[nH]cc2C)cc1CO ZINC000257217488 244168932 /nfs/dbraw/zinc/16/89/32/244168932.db2.gz CZEGZQYWEJYOQC-KRWDZBQOSA-N 1 1 329.444 3.336 40 0 EGABMO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+](Cc3cccc(C)n3)C2)n1 ZINC000257232158 244218044 /nfs/dbraw/zinc/21/80/44/244218044.db2.gz GJRDSGRKWVKWQI-INIZCTEOSA-N 1 1 348.454 3.258 40 0 EGABMO Cc1nc(C[N@H+]2CCC3(CC(Nc4cc(C)ncn4)C3)C2)cs1 ZINC000257235424 244227693 /nfs/dbraw/zinc/22/76/93/244227693.db2.gz GXULXXWCLCVXPX-UHFFFAOYSA-N 1 1 329.473 3.017 40 0 EGABMO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257236689 244229339 /nfs/dbraw/zinc/22/93/39/244229339.db2.gz HDFRFVALZQLIQS-OAHLLOKOSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257236689 244229343 /nfs/dbraw/zinc/22/93/43/244229343.db2.gz HDFRFVALZQLIQS-OAHLLOKOSA-N 1 1 349.442 3.026 40 0 EGABMO C[NH+](C)C1CCC2(CC1)CN(Cc1cnc[nH]1)Cc1ccccc1O2 ZINC000019583950 212047026 /nfs/dbraw/zinc/04/70/26/212047026.db2.gz TUWWHFXYWJDMIH-UHFFFAOYSA-N 1 1 340.471 3.047 40 0 EGABMO COCCC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2C ZINC000019590806 212049549 /nfs/dbraw/zinc/04/95/49/212049549.db2.gz JKZVESMIEYOMEB-NSHGMRRFSA-N 1 1 348.462 3.031 40 0 EGABMO Fc1ccc(C[N@H+]2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)cc1 ZINC000019341538 212017578 /nfs/dbraw/zinc/01/75/78/212017578.db2.gz MAOMNKCOIMXONA-AEFFLSMTSA-N 1 1 349.413 3.099 40 0 EGABMO CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000078605014 217085831 /nfs/dbraw/zinc/08/58/31/217085831.db2.gz ZWPGBFKUCMTQRZ-LBPRGKRZSA-N 1 1 326.510 3.141 40 0 EGABMO Cc1ccc(C[NH2+]Cc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)o1 ZINC000012186453 211314087 /nfs/dbraw/zinc/31/40/87/211314087.db2.gz CIABHGOMBBEXQA-UHFFFAOYSA-N 1 1 348.406 3.213 40 0 EGABMO C[C@@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2cnccn2)cc1 ZINC000012182113 211312260 /nfs/dbraw/zinc/31/22/60/211312260.db2.gz AXTHRHCEIFJGDH-WBVHZDCISA-N 1 1 338.455 3.249 40 0 EGABMO COc1cccc(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)c1 ZINC000012119074 211297868 /nfs/dbraw/zinc/29/78/68/211297868.db2.gz DSXOOJYJJMZINR-MRXNPFEDSA-N 1 1 338.407 3.440 40 0 EGABMO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1C ZINC000154890926 224323084 /nfs/dbraw/zinc/32/30/84/224323084.db2.gz JGSLDNDGKNIBDI-OAHLLOKOSA-N 1 1 336.480 3.009 40 0 EGABMO CCn1nc(C)c(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1C ZINC000154890926 224323086 /nfs/dbraw/zinc/32/30/86/224323086.db2.gz JGSLDNDGKNIBDI-OAHLLOKOSA-N 1 1 336.480 3.009 40 0 EGABMO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](CCC(C)(C)C)CC[C@@]1(C)O ZINC000514289553 257845445 /nfs/dbraw/zinc/84/54/45/257845445.db2.gz KXYFSSUXUKHFME-CMKODMSKSA-N 1 1 332.488 3.125 40 0 biogenic,in-vitro EGABMO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000418137111 309237165 /nfs/dbraw/zinc/23/71/65/309237165.db2.gz DCQBXYWAJRIZOC-QGZVFWFLSA-N 1 1 328.460 3.385 40 0 EGABMO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000090723577 323214787 /nfs/dbraw/zinc/21/47/87/323214787.db2.gz DRGLEBUWCZBKTR-CBGDNZLLSA-N 1 1 346.515 3.201 40 0 EGABMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000090723577 323214790 /nfs/dbraw/zinc/21/47/90/323214790.db2.gz DRGLEBUWCZBKTR-CBGDNZLLSA-N 1 1 346.515 3.201 40 0 EGABMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000090723577 323214793 /nfs/dbraw/zinc/21/47/93/323214793.db2.gz DRGLEBUWCZBKTR-CBGDNZLLSA-N 1 1 346.515 3.201 40 0 EGABMO CCOc1ccc(Br)c([C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000004339499 452799134 /nfs/dbraw/zinc/79/91/34/452799134.db2.gz KTZNNKANCYRNTA-HWWQOWPSSA-N 1 1 342.277 3.396 40 0 EGABMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NC(=O)NC1CCCCC1 ZINC000008075709 453157871 /nfs/dbraw/zinc/15/78/71/453157871.db2.gz NNMWQCMURSEAHJ-AWEZNQCLSA-N 1 1 335.473 3.044 40 0 EGABMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)NC(=O)NC1CCCCC1 ZINC000008075709 453157882 /nfs/dbraw/zinc/15/78/82/453157882.db2.gz NNMWQCMURSEAHJ-AWEZNQCLSA-N 1 1 335.473 3.044 40 0 EGABMO CCn1cncc1C[N@H+]1C[C@@H]2CCC[C@@](O)(c3ccc(C)cc3)[C@@H]2C1 ZINC000012221323 453348819 /nfs/dbraw/zinc/34/88/19/453348819.db2.gz NXAYDVCQUNHBFR-IOMROCGXSA-N 1 1 339.483 3.331 40 0 EGABMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCc2ccccc21 ZINC000013002411 453436047 /nfs/dbraw/zinc/43/60/47/453436047.db2.gz BEYLGMVMKIKXMS-TZIWHRDSSA-N 1 1 334.463 3.497 40 0 EGABMO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3C3CCCCC3)n2)c1 ZINC000015674373 453581837 /nfs/dbraw/zinc/58/18/37/453581837.db2.gz VOHCTFQRJSVQBT-SJORKVTESA-N 1 1 327.428 3.485 40 0 biogenic,in-vitro EGABMO C[C@@H](CNC(=O)CSc1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000031963890 453860077 /nfs/dbraw/zinc/86/00/77/453860077.db2.gz WACCMXLRRRNTRU-AWEZNQCLSA-N 1 1 346.521 3.403 40 0 EGABMO C[C@@H](CNC(=O)CSc1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000031963890 453860080 /nfs/dbraw/zinc/86/00/80/453860080.db2.gz WACCMXLRRRNTRU-AWEZNQCLSA-N 1 1 346.521 3.403 40 0 EGABMO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccc(Br)cc2)C1 ZINC000082046609 453922520 /nfs/dbraw/zinc/92/25/20/453922520.db2.gz DTXBJGIIRFTGFW-ZDUSSCGKSA-N 1 1 341.249 3.331 40 0 EGABMO O=C(c1ccc(N2CCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036139576 453926967 /nfs/dbraw/zinc/92/69/67/453926967.db2.gz XUYTVFRHBUTHJW-UHFFFAOYSA-N 1 1 349.478 3.245 40 0 EGABMO Cc1noc(C)c1C[N@@H+](C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000077251027 454082004 /nfs/dbraw/zinc/08/20/04/454082004.db2.gz RLZRWJHIBJDCJU-UHFFFAOYSA-N 1 1 342.395 3.217 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2cc(C)ccc2C)cc1 ZINC000044885797 454123809 /nfs/dbraw/zinc/12/38/09/454123809.db2.gz PLAYSPQQARBCFI-UHFFFAOYSA-N 1 1 349.434 3.493 40 0 EGABMO COc1ccc(CNC(=O)C[N@H+](C)[C@@H](C)c2cccs2)cc1OC ZINC000044891779 454124564 /nfs/dbraw/zinc/12/45/64/454124564.db2.gz WQWRQQPEZLMBJY-ZDUSSCGKSA-N 1 1 348.468 3.075 40 0 EGABMO COc1ccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2cccs2)cc1OC ZINC000044891779 454124565 /nfs/dbraw/zinc/12/45/65/454124565.db2.gz WQWRQQPEZLMBJY-ZDUSSCGKSA-N 1 1 348.468 3.075 40 0 EGABMO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096048653 454271413 /nfs/dbraw/zinc/27/14/13/454271413.db2.gz LUBVFVJPRNIBIE-LJQANCHMSA-N 1 1 341.480 3.158 40 0 EGABMO c1csc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1 ZINC000096055423 454273894 /nfs/dbraw/zinc/27/38/94/454273894.db2.gz HTFXWPNKDZRIQQ-USXIJHARSA-N 1 1 330.453 3.202 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1 ZINC000096055423 454273897 /nfs/dbraw/zinc/27/38/97/454273897.db2.gz HTFXWPNKDZRIQQ-USXIJHARSA-N 1 1 330.453 3.202 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)co1 ZINC000096065149 454278103 /nfs/dbraw/zinc/27/81/03/454278103.db2.gz QUVPMDXGNAYNCP-VQTJNVASSA-N 1 1 342.439 3.263 40 0 EGABMO C(OC[C@@H]1C[N@@H+](CC2CCCC2)Cc2nnn(CC3CC3)c21)C1CC1 ZINC000096068863 454278857 /nfs/dbraw/zinc/27/88/57/454278857.db2.gz HLTOJDMNMXDCKU-SFHVURJKSA-N 1 1 344.503 3.204 40 0 EGABMO Fc1cccc(C[N@H+]2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)c1 ZINC000096065432 454279057 /nfs/dbraw/zinc/27/90/57/454279057.db2.gz BIMSDTNGIAPDFM-AABGKKOBSA-N 1 1 342.414 3.169 40 0 EGABMO c1csc(C[N@@H+]2CCC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)c1 ZINC000096107505 454284456 /nfs/dbraw/zinc/28/44/56/454284456.db2.gz SSKWFHOGUFVRTO-HKUYNNGSSA-N 1 1 344.480 3.483 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](Cc3cc(C)on3)CC[C@H]2OC)cc1 ZINC000096110263 454285518 /nfs/dbraw/zinc/28/55/18/454285518.db2.gz GCFWIEKOSZVOQK-QFBILLFUSA-N 1 1 330.428 3.071 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](Cc3cccc(C)n3)CC[C@H]2OC)cc1 ZINC000096110238 454285942 /nfs/dbraw/zinc/28/59/42/454285942.db2.gz RRCZPNKVNWQKCT-GHTZIAJQSA-N 1 1 340.467 3.478 40 0 EGABMO c1csc(C[N@@H+]2CC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)c1 ZINC000096107765 454286200 /nfs/dbraw/zinc/28/62/00/454286200.db2.gz KPSMSQWVYZXXFR-AEFFLSMTSA-N 1 1 330.453 3.093 40 0 EGABMO F[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112168 454286964 /nfs/dbraw/zinc/28/69/64/454286964.db2.gz KGEMIJHOKHIANS-QAPCUYQASA-N 1 1 325.387 3.302 40 0 biogenic,in-vitro EGABMO F[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112168 454286971 /nfs/dbraw/zinc/28/69/71/454286971.db2.gz KGEMIJHOKHIANS-QAPCUYQASA-N 1 1 325.387 3.302 40 0 biogenic,in-vitro EGABMO Cc1ccc(C[N@@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)s1 ZINC000072335691 454294662 /nfs/dbraw/zinc/29/46/62/454294662.db2.gz XLRYKDFZKFKMRL-UHFFFAOYSA-N 1 1 344.484 3.101 40 0 EGABMO Cc1ccc(C[N@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)s1 ZINC000072335691 454294665 /nfs/dbraw/zinc/29/46/65/454294665.db2.gz XLRYKDFZKFKMRL-UHFFFAOYSA-N 1 1 344.484 3.101 40 0 EGABMO c1cc(C[N@@H+]2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)cs1 ZINC000096187156 454299817 /nfs/dbraw/zinc/29/98/17/454299817.db2.gz TXAYMJCDUNMVAZ-SQNIBIBYSA-N 1 1 330.453 3.092 40 0 EGABMO Cc1nc(C[N@@H+]2C[C@H](C)[C@]3(CCN(c4ccsc4)C3=O)C2)cs1 ZINC000096201770 454302751 /nfs/dbraw/zinc/30/27/51/454302751.db2.gz KKTOLUUJXVZXOT-SJCJKPOMSA-N 1 1 347.509 3.388 40 0 EGABMO Cc1ncsc1CN1CCC2(CC[C@H](COCC3CC3)[N@@H+]2C)CC1 ZINC000096208238 454304015 /nfs/dbraw/zinc/30/40/15/454304015.db2.gz GWNQZFVECXOLSM-QGZVFWFLSA-N 1 1 349.544 3.307 40 0 EGABMO COC[C@@H]1CCC2(CCN(C(=O)c3cccs3)CC2)[N@H+]1CC1CC1 ZINC000096207863 454304541 /nfs/dbraw/zinc/30/45/41/454304541.db2.gz XWZPGPWVDSTKDO-INIZCTEOSA-N 1 1 348.512 3.244 40 0 EGABMO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1sccc1C)C2 ZINC000096220160 454307274 /nfs/dbraw/zinc/30/72/74/454307274.db2.gz DAVWRANARBXOEN-HKUYNNGSSA-N 1 1 334.529 3.237 40 0 EGABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1sccc1C)C2 ZINC000096220160 454307280 /nfs/dbraw/zinc/30/72/80/454307280.db2.gz DAVWRANARBXOEN-HKUYNNGSSA-N 1 1 334.529 3.237 40 0 EGABMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(=O)C1CCC1)CC2 ZINC000096221043 454309533 /nfs/dbraw/zinc/30/95/33/454309533.db2.gz ZNMUEVLUIAULHM-LJQANCHMSA-N 1 1 342.483 3.069 40 0 EGABMO CC(C)NC(=O)N1CC[C@H](F)[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096241267 454311421 /nfs/dbraw/zinc/31/14/21/454311421.db2.gz FEEGXCIVAJOQOH-RDJZCZTQSA-N 1 1 339.480 3.102 40 0 EGABMO Cc1nnc(CN2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)o1 ZINC000096461366 454359474 /nfs/dbraw/zinc/35/94/74/454359474.db2.gz YUXNQZWFHXREBK-UHFFFAOYSA-N 1 1 340.471 3.399 40 0 EGABMO O=C(C[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1)NCc1cccnc1 ZINC000096481046 454364230 /nfs/dbraw/zinc/36/42/30/454364230.db2.gz UDWPDENOQWXMBO-PZJWPPBQSA-N 1 1 335.451 3.099 40 0 EGABMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1 ZINC000063527592 454421461 /nfs/dbraw/zinc/42/14/61/454421461.db2.gz QYCOQVRCOHYQEE-OAHLLOKOSA-N 1 1 330.325 3.012 40 0 EGABMO O=C(Nc1ccccc1)N1CC[C@@]2(CCC[N@H+]2Cc2ccccn2)C1 ZINC000063526936 454422011 /nfs/dbraw/zinc/42/20/11/454422011.db2.gz HHUZFMPKIZFUOH-FQEVSTJZSA-N 1 1 336.439 3.354 40 0 EGABMO CC(C)(C)OC(=O)N1CCC2(C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000091302803 454423310 /nfs/dbraw/zinc/42/33/10/454423310.db2.gz MGDREBKYHGSSGI-QGZVFWFLSA-N 1 1 346.471 3.023 40 0 EGABMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC=CCC2)C[C@@H](C)O1 ZINC000048333619 454474921 /nfs/dbraw/zinc/47/49/21/454474921.db2.gz PSJNSYUHWJLTFE-KURKYZTESA-N 1 1 342.483 3.268 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CC=CCC2)C[C@H](C)O1 ZINC000048333617 454475266 /nfs/dbraw/zinc/47/52/66/454475266.db2.gz PSJNSYUHWJLTFE-KSZLIROESA-N 1 1 342.483 3.268 40 0 EGABMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CC=CCC2)C[C@H](C)O1 ZINC000048333617 454475268 /nfs/dbraw/zinc/47/52/68/454475268.db2.gz PSJNSYUHWJLTFE-KSZLIROESA-N 1 1 342.483 3.268 40 0 EGABMO COc1ccccc1C[N@H+]1CC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000049169590 454537286 /nfs/dbraw/zinc/53/72/86/454537286.db2.gz ZMHZAVDZXJKSCT-INIZCTEOSA-N 1 1 336.395 3.130 40 0 biogenic,in-vitro EGABMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC=C(c2ccccc2F)CC1 ZINC000163309561 454838572 /nfs/dbraw/zinc/83/85/72/454838572.db2.gz AXLOYPCUZVXTBD-OAHLLOKOSA-N 1 1 343.446 3.109 40 0 EGABMO COc1cccc2cc([C@H](C)NC(=O)C[N@@H+](C)[C@H]3CCSC3)oc21 ZINC000110698179 454851244 /nfs/dbraw/zinc/85/12/44/454851244.db2.gz LXYSXCZQYPDRSW-JSGCOSHPSA-N 1 1 348.468 3.056 40 0 EGABMO O=C(CCN1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000150759693 454887417 /nfs/dbraw/zinc/88/74/17/454887417.db2.gz UMQGJAIKDMWZRC-HNNXBMFYSA-N 1 1 335.879 3.086 40 0 EGABMO Cn1ccnc1[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000180642157 455215939 /nfs/dbraw/zinc/21/59/39/455215939.db2.gz FNSNBNVMNHCBNB-RHSMWYFYSA-N 1 1 332.879 3.094 40 0 EGABMO C[N@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000245339162 455282665 /nfs/dbraw/zinc/28/26/65/455282665.db2.gz QZCHMVSFUOCTTA-UONOGXRCSA-N 1 1 335.391 3.103 40 0 EGABMO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000245339162 455282668 /nfs/dbraw/zinc/28/26/68/455282668.db2.gz QZCHMVSFUOCTTA-UONOGXRCSA-N 1 1 335.391 3.103 40 0 EGABMO CC(=O)Nc1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000181956777 455404563 /nfs/dbraw/zinc/40/45/63/455404563.db2.gz SJBMPBACTOFJLE-QRWLVFNGSA-N 1 1 338.455 3.363 40 0 EGABMO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)C[C@@H]2CC=CCC2)n1 ZINC000247883222 455652488 /nfs/dbraw/zinc/65/24/88/455652488.db2.gz CPLVJSANCGWLTC-RTBURBONSA-N 1 1 343.471 3.312 40 0 EGABMO c1cc(C[N@H+]2CC[C@H]3OCCN(c4cccnc4)[C@@H]3CC2)cs1 ZINC000247952284 455659292 /nfs/dbraw/zinc/65/92/92/455659292.db2.gz KNYGNVSNACRDIW-QZTJIDSGSA-N 1 1 329.469 3.013 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)o1 ZINC000248078934 455678653 /nfs/dbraw/zinc/67/86/53/455678653.db2.gz IFDLPOIPBSGWNX-YXJHDRRASA-N 1 1 348.468 3.241 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)o1 ZINC000248078934 455678657 /nfs/dbraw/zinc/67/86/57/455678657.db2.gz IFDLPOIPBSGWNX-YXJHDRRASA-N 1 1 348.468 3.241 40 0 EGABMO Cc1ccc([C@]2(O)CCC[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@H]32)cc1 ZINC000248088018 455680281 /nfs/dbraw/zinc/68/02/81/455680281.db2.gz LOEHXFLWUKAUCB-CEWLAPEOSA-N 1 1 337.467 3.213 40 0 EGABMO C[C@@H](Oc1ccccc1F)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248157351 455691588 /nfs/dbraw/zinc/69/15/88/455691588.db2.gz WBKJLZWOACODHV-QAPCUYQASA-N 1 1 342.414 3.108 40 0 EGABMO C[C@@H](Oc1ccccc1F)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248157351 455691592 /nfs/dbraw/zinc/69/15/92/455691592.db2.gz WBKJLZWOACODHV-QAPCUYQASA-N 1 1 342.414 3.108 40 0 EGABMO Cc1nc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)no1 ZINC000252481764 455808627 /nfs/dbraw/zinc/80/86/27/455808627.db2.gz CRMIQXHBTIPMQS-VQTJNVASSA-N 1 1 348.450 3.136 40 0 EGABMO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000252537483 455821888 /nfs/dbraw/zinc/82/18/88/455821888.db2.gz LIWIJINDHCTMOK-HGKCTWBKSA-N 1 1 347.503 3.141 40 0 EGABMO O=c1cc(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)nc2sccn21 ZINC000253425571 455845286 /nfs/dbraw/zinc/84/52/86/455845286.db2.gz FYNILDRDJDAKQS-IJDCCNJMSA-N 1 1 337.448 3.434 40 0 EGABMO O=c1cc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)nc2sccn21 ZINC000253425571 455845293 /nfs/dbraw/zinc/84/52/93/455845293.db2.gz FYNILDRDJDAKQS-IJDCCNJMSA-N 1 1 337.448 3.434 40 0 EGABMO C[C@H](C[S@@](C)=O)[N@@H+](C)C1CC(c2ccc(Br)cc2)C1 ZINC000194482742 455848244 /nfs/dbraw/zinc/84/82/44/455848244.db2.gz CJCPVIKUBMXCIW-YTULBECBSA-N 1 1 344.318 3.394 40 0 EGABMO C[C@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2cnccn2)cc1 ZINC000253601460 455854423 /nfs/dbraw/zinc/85/44/23/455854423.db2.gz AXTHRHCEIFJGDH-DOTOQJQBSA-N 1 1 338.455 3.249 40 0 EGABMO C[N@H+]1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000257207698 455880562 /nfs/dbraw/zinc/88/05/62/455880562.db2.gz BIVLNPXOYPUXFB-HOCLYGCPSA-N 1 1 326.362 3.291 40 0 EGABMO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2sccc2C)ccn1 ZINC000257344121 455897166 /nfs/dbraw/zinc/89/71/66/455897166.db2.gz ZVULTNHMEKDYID-QGZVFWFLSA-N 1 1 329.469 3.425 40 0 EGABMO COc1ccccc1[C@H](C)C[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000195540644 455982940 /nfs/dbraw/zinc/98/29/40/455982940.db2.gz NUZPKECEMMKQQK-DOADOZAASA-N 1 1 346.515 3.278 40 0 EGABMO CSc1nnc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)s1 ZINC000225300872 456076816 /nfs/dbraw/zinc/07/68/16/456076816.db2.gz GNJGBQCAXPMKDZ-UHFFFAOYSA-N 1 1 345.453 3.066 40 0 EGABMO Cc1oc2ccccc2c1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000333180837 456174022 /nfs/dbraw/zinc/17/40/22/456174022.db2.gz LSBMFZNCZZWDNG-GOOCMWNKSA-N 1 1 327.428 3.166 40 0 EGABMO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](CC4CC4)C2)OC3)cc1 ZINC000306141224 456567364 /nfs/dbraw/zinc/56/73/64/456567364.db2.gz VOTDOTPACBTNJX-IBGZPJMESA-N 1 1 327.403 3.074 40 0 EGABMO O=C1NCCC[N@@H+](C/C=C/c2ccc(F)cc2)[C@@H]1Cc1ccccc1 ZINC000556933301 459033739 /nfs/dbraw/zinc/03/37/39/459033739.db2.gz ASWBZFCYPXZGHM-BTZGUFSASA-N 1 1 338.426 3.272 40 0 EGABMO O=C1NCCC[N@H+](C/C=C/c2ccc(F)cc2)[C@@H]1Cc1ccccc1 ZINC000556933301 459033741 /nfs/dbraw/zinc/03/37/41/459033741.db2.gz ASWBZFCYPXZGHM-BTZGUFSASA-N 1 1 338.426 3.272 40 0 EGABMO C[C@@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@@H+]1C1CCCC1 ZINC000585097159 459822743 /nfs/dbraw/zinc/82/27/43/459822743.db2.gz IDDBSYGTTNNDEA-GFCCVEGCSA-N 1 1 347.850 3.225 40 0 EGABMO C[C@@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@H+]1C1CCCC1 ZINC000585097159 459822749 /nfs/dbraw/zinc/82/27/49/459822749.db2.gz IDDBSYGTTNNDEA-GFCCVEGCSA-N 1 1 347.850 3.225 40 0 EGABMO C[C@H](c1ccccc1)[N@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099666 459822880 /nfs/dbraw/zinc/82/28/80/459822880.db2.gz WATWQQIJTNYWIC-BEFAXECRSA-N 1 1 341.480 3.329 40 0 EGABMO Cc1cc(C)cc(OC[C@@]2(O)C[N@H+](C3CCCCCC3)CC[C@@H]2O)c1 ZINC000585286018 459833659 /nfs/dbraw/zinc/83/36/59/459833659.db2.gz GUPQXDFTPLHLNO-SFTDATJTSA-N 1 1 347.499 3.203 40 0 EGABMO CCOc1cc2c(cc1C[NH2+][C@H](C)c1nccnc1C)O[C@H](C)C2 ZINC000187709088 528342158 /nfs/dbraw/zinc/34/21/58/528342158.db2.gz AQKLROLCJXWWNY-TZMCWYRMSA-N 1 1 327.428 3.358 40 0 EGABMO Cc1cccc2c(CC(=O)N3CCC(Cc4[nH]cc[nH+]4)CC3)c[nH]c21 ZINC000673481469 548566966 /nfs/dbraw/zinc/56/69/66/548566966.db2.gz DYVNCVJHTNSBRS-UHFFFAOYSA-N 1 1 336.439 3.223 40 0 EGABMO CCOC(=O)c1ccc(NC(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000040049542 213255277 /nfs/dbraw/zinc/25/52/77/213255277.db2.gz MREAOJRNFRFMKQ-OAHLLOKOSA-N 1 1 347.459 3.249 40 0 EGABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(c3cc(C)ncn3)C2)n1 ZINC000072355696 216164728 /nfs/dbraw/zinc/16/47/28/216164728.db2.gz UHVGPCBQXPVTCR-MRXNPFEDSA-N 1 1 334.427 3.058 40 0 EGABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072355512 216164735 /nfs/dbraw/zinc/16/47/35/216164735.db2.gz MRIIMLWERGELSV-OAHLLOKOSA-N 1 1 325.460 3.347 40 0 EGABMO CN(Cc1ccccc1)C(=O)c1cncc(C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000072369295 216176347 /nfs/dbraw/zinc/17/63/47/216176347.db2.gz HMRMMQMCTRRBNT-GOSISDBHSA-N 1 1 337.467 3.238 40 0 EGABMO c1ncc(C[N@@H+]2CCC[C@@H](Cc3ccc(NC4CCCC4)nn3)C2)[nH]1 ZINC000072387289 216186237 /nfs/dbraw/zinc/18/62/37/216186237.db2.gz CXHMOZCYDRBMBQ-HNNXBMFYSA-N 1 1 340.475 3.009 40 0 EGABMO c1nc(C[N@H+]2CCC[C@@H](Cc3ccc(NC4CCCC4)nn3)C2)c[nH]1 ZINC000072387289 216186240 /nfs/dbraw/zinc/18/62/40/216186240.db2.gz CXHMOZCYDRBMBQ-HNNXBMFYSA-N 1 1 340.475 3.009 40 0 EGABMO c1nc(C[N@@H+]2CCC[C@@H](Cc3ccc(NC4CCCC4)nn3)C2)c[nH]1 ZINC000072387289 216186242 /nfs/dbraw/zinc/18/62/42/216186242.db2.gz CXHMOZCYDRBMBQ-HNNXBMFYSA-N 1 1 340.475 3.009 40 0 EGABMO Cc1ccccc1[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CCO1 ZINC000073988666 216441555 /nfs/dbraw/zinc/44/15/55/216441555.db2.gz QJNZOPKBDYGPEK-GOSISDBHSA-N 1 1 341.455 3.305 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc2c(c1)OCO2 ZINC000225581477 241935671 /nfs/dbraw/zinc/93/56/71/241935671.db2.gz VMRUQJQJIVMAEJ-HNNXBMFYSA-N 1 1 349.500 3.356 40 0 EGABMO Cc1c[nH]c(-c2cc([C@H]3CC[N@@H+](Cc4ccccc4)C3)nc(C)n2)n1 ZINC000257218669 244175305 /nfs/dbraw/zinc/17/53/05/244175305.db2.gz DEAXEOZFDGXLGS-KRWDZBQOSA-N 1 1 333.439 3.473 40 0 EGABMO COc1ccccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)C2 ZINC000257237228 244231441 /nfs/dbraw/zinc/23/14/41/244231441.db2.gz HFQGQRNBFFCCON-XBQLCILLSA-N 1 1 328.456 3.173 40 0 EGABMO COc1cccc(C[N@H+](Cc2ccccn2)C[C@H]2CCOC2)c1OC ZINC000019567535 212044122 /nfs/dbraw/zinc/04/41/22/212044122.db2.gz NWJGBROQLBFDTN-MRXNPFEDSA-N 1 1 342.439 3.138 40 0 EGABMO CC(C)n1nccc1C(=O)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000019454585 212029382 /nfs/dbraw/zinc/02/93/82/212029382.db2.gz QDDJJBNWSFQPQF-SFHVURJKSA-N 1 1 344.434 3.170 40 0 EGABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccn2)N1 ZINC000019372616 212022888 /nfs/dbraw/zinc/02/28/88/212022888.db2.gz QREXKJBFXYDPGM-GHTZIAJQSA-N 1 1 335.451 3.110 40 0 EGABMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC000019369777 212022555 /nfs/dbraw/zinc/02/25/55/212022555.db2.gz DASHMSDRRRFPRJ-NRFANRHFSA-N 1 1 347.418 3.362 40 0 EGABMO Fc1cccc(C[N@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)c1F ZINC000019292705 212013113 /nfs/dbraw/zinc/01/31/13/212013113.db2.gz UHYGDKINYWFHIB-AWEZNQCLSA-N 1 1 342.349 3.399 40 0 EGABMO C[C@H](CNC(=O)N(C)[C@H](C)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000078926009 217148779 /nfs/dbraw/zinc/14/87/79/217148779.db2.gz IYFXKZKTQABYJS-IAGOWNOFSA-N 1 1 340.471 3.305 40 0 EGABMO C[N@@H+](Cc1cccc2cccnc21)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097168 217361534 /nfs/dbraw/zinc/36/15/34/217361534.db2.gz ZGBSZRDOCKVGBN-IRXDYDNUSA-N 1 1 332.469 3.022 40 0 EGABMO O[C@]1(c2cccnc2)CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000012337135 211351555 /nfs/dbraw/zinc/35/15/55/211351555.db2.gz GCEVUISTTAMAGY-SYNHAJSKSA-N 1 1 344.405 3.480 40 0 EGABMO CCCn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 ZINC000012242280 211329675 /nfs/dbraw/zinc/32/96/75/211329675.db2.gz MJGRAEHJIVLHJH-YOFSQIOKSA-N 1 1 343.446 3.447 40 0 EGABMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000012241102 211328409 /nfs/dbraw/zinc/32/84/09/211328409.db2.gz WVGDNTCQLQHJLE-LBPRGKRZSA-N 1 1 327.453 3.058 40 0 EGABMO Cc1ncsc1C[N@@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000092452907 218142615 /nfs/dbraw/zinc/14/26/15/218142615.db2.gz LHCGDDPUPLCEPN-UHFFFAOYSA-N 1 1 349.887 3.453 40 0 EGABMO Cc1ncsc1C[N@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000092452907 218142618 /nfs/dbraw/zinc/14/26/18/218142618.db2.gz LHCGDDPUPLCEPN-UHFFFAOYSA-N 1 1 349.887 3.453 40 0 EGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)Cc1ccccn1 ZINC000019527133 285252021 /nfs/dbraw/zinc/25/20/21/285252021.db2.gz SFBPPTOXGPFJQW-LJQANCHMSA-N 1 1 325.456 3.274 40 0 EGABMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N)[nH+]c2C)cc1 ZINC000072218599 257687604 /nfs/dbraw/zinc/68/76/04/257687604.db2.gz HHEXCUKSQUFQNU-KRWDZBQOSA-N 1 1 345.468 3.197 40 0 EGABMO CC[N@H+]1CC[C@H](SC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000001710802 452675085 /nfs/dbraw/zinc/67/50/85/452675085.db2.gz CRAZPPVOJPYVLH-SFHVURJKSA-N 1 1 341.476 3.277 40 0 EGABMO COc1cc(CC[C@@H]2c3cc(O)c(OC)cc3CC[N@@H+]2C)ccc1O ZINC000003847476 452785623 /nfs/dbraw/zinc/78/56/23/452785623.db2.gz SQOGYRBPCGNZFV-MRXNPFEDSA-N 1 1 343.423 3.277 40 0 EGABMO C[N@H+]1CCC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000004214202 452797787 /nfs/dbraw/zinc/79/77/87/452797787.db2.gz LCFBCKSQWVQIBY-UYAOXDASSA-N 1 1 331.456 3.092 40 0 in-man EGABMO Cc1cc(C)c(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000006500577 452947857 /nfs/dbraw/zinc/94/78/57/452947857.db2.gz BWKFDNLKEHZJFX-HXUWFJFHSA-N 1 1 325.452 3.410 40 0 EGABMO Cc1ccc(O[C@@H](C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1C ZINC000015831479 453586757 /nfs/dbraw/zinc/58/67/57/453586757.db2.gz LMFVJPSUEMCQAI-DOTOQJQBSA-N 1 1 330.428 3.083 40 0 EGABMO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@H+]2Cc1ccccn1 ZINC000019712617 453659071 /nfs/dbraw/zinc/65/90/71/453659071.db2.gz CWRYWBYPFGVVPT-ZVDOUQERSA-N 1 1 335.451 3.108 40 0 EGABMO O=C(c1ccnc(Cl)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000025757481 453785362 /nfs/dbraw/zinc/78/53/62/453785362.db2.gz GVBGUENAQKNODP-UHFFFAOYSA-N 1 1 347.821 3.222 40 0 EGABMO O=C(c1ccnc(Cl)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000025757481 453785365 /nfs/dbraw/zinc/78/53/65/453785365.db2.gz GVBGUENAQKNODP-UHFFFAOYSA-N 1 1 347.821 3.222 40 0 EGABMO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932246 453821442 /nfs/dbraw/zinc/82/14/42/453821442.db2.gz WBVLCVHAYAQPDX-DGCLKSJQSA-N 1 1 343.254 3.067 40 0 EGABMO CC(=O)c1ccc(OC[C@H](O)C[N@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000033015026 453901302 /nfs/dbraw/zinc/90/13/02/453901302.db2.gz KTQITHCLRHQXLD-GOSISDBHSA-N 1 1 347.842 3.414 40 0 EGABMO CCC[N@H+]1CCc2nc(SCc3ccccc3F)[nH]c(=O)c2C1 ZINC000033287218 453913608 /nfs/dbraw/zinc/91/36/08/453913608.db2.gz DJWBLJSKWBELME-UHFFFAOYSA-N 1 1 333.432 3.382 40 0 EGABMO CN(C)c1ccccc1C[N@@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000075720488 453922275 /nfs/dbraw/zinc/92/22/75/453922275.db2.gz OTZBVINEOVIXAW-GOSISDBHSA-N 1 1 339.487 3.408 40 0 EGABMO CN(C)c1ccccc1C[N@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000075720488 453922277 /nfs/dbraw/zinc/92/22/77/453922277.db2.gz OTZBVINEOVIXAW-GOSISDBHSA-N 1 1 339.487 3.408 40 0 EGABMO CC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000037201868 453933956 /nfs/dbraw/zinc/93/39/56/453933956.db2.gz ZHIFIHIACTXESU-HBFSDRIKSA-N 1 1 331.456 3.284 40 0 EGABMO O=C(C[NH2+]Cc1ccccc1F)Nc1ccc(N2CCCC2)cc1 ZINC000057720447 454143595 /nfs/dbraw/zinc/14/35/95/454143595.db2.gz JHXLCNFPESZZNL-UHFFFAOYSA-N 1 1 327.403 3.154 40 0 EGABMO [NH3+][C@H](c1nc(-c2ccc(Br)o2)n[nH]1)c1ccc(F)cc1 ZINC000095533346 454230536 /nfs/dbraw/zinc/23/05/36/454230536.db2.gz KWPFXCQVOJPTNJ-NSHDSACASA-N 1 1 337.152 3.014 40 0 EGABMO Cc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)n1 ZINC000096039807 454265806 /nfs/dbraw/zinc/26/58/06/454265806.db2.gz UVKUOMVUHHETHJ-VQTJNVASSA-N 1 1 330.472 3.188 40 0 EGABMO O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096047026 454270283 /nfs/dbraw/zinc/27/02/83/454270283.db2.gz IMBFMSYMRBRWNG-IBGZPJMESA-N 1 1 341.480 3.271 40 0 EGABMO c1csc(CN2CCC3(CC[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC000096046620 454270543 /nfs/dbraw/zinc/27/05/43/454270543.db2.gz URCNXNFEFBOAEZ-UHFFFAOYSA-N 1 1 328.485 3.026 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccco2)C[C@]12CCN(c1cccnc1)C2 ZINC000096051121 454272696 /nfs/dbraw/zinc/27/26/96/454272696.db2.gz QORLMGFCMYHYGY-KRWDZBQOSA-N 1 1 333.382 3.412 40 0 EGABMO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccs2)cs1 ZINC000096056574 454274003 /nfs/dbraw/zinc/27/40/03/454274003.db2.gz GKXSUEUXBWCSSZ-HZPDHXFCSA-N 1 1 347.509 3.279 40 0 EGABMO Cn1ccnc1CN1CCC2(CC1)CC[NH+](Cc1cccs1)CC2 ZINC000096062997 454277908 /nfs/dbraw/zinc/27/79/08/454277908.db2.gz ZOJGAUPRUPYCTF-UHFFFAOYSA-N 1 1 344.528 3.360 40 0 EGABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)s1 ZINC000096062465 454278206 /nfs/dbraw/zinc/27/82/06/454278206.db2.gz RNBRFSVBWVBMBL-IBGZPJMESA-N 1 1 343.496 3.180 40 0 EGABMO Cc1cccc(C[N@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)n1 ZINC000096071875 454280473 /nfs/dbraw/zinc/28/04/73/454280473.db2.gz IDGGZVDDSCNPMI-UHFFFAOYSA-N 1 1 337.471 3.063 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CCCC12CCN(C(=O)c1ccoc1)CC2 ZINC000096075298 454280497 /nfs/dbraw/zinc/28/04/97/454280497.db2.gz JJPHQBPJMAZRBJ-UHFFFAOYSA-N 1 1 343.427 3.155 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@H](OCc4csc(C)n4)CO3)C2)o1 ZINC000096107625 454284731 /nfs/dbraw/zinc/28/47/31/454284731.db2.gz XTAWDSZIGVRJIV-ROUUACIJSA-N 1 1 348.468 3.303 40 0 EGABMO Cc1[nH+]ccn1-c1cccc(C2CCN(c3nc(C)cc(C)n3)CC2)n1 ZINC000072369174 454294911 /nfs/dbraw/zinc/29/49/11/454294911.db2.gz BDFIDEQVKWHERZ-UHFFFAOYSA-N 1 1 348.454 3.367 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC000096200546 454302224 /nfs/dbraw/zinc/30/22/24/454302224.db2.gz FJUYQTJVAPPHOQ-PMACEKPBSA-N 1 1 341.455 3.299 40 0 EGABMO CCOC[C@@H]1Cn2cncc2C[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000096206481 454304466 /nfs/dbraw/zinc/30/44/66/454304466.db2.gz RNYBTKBKOWZDCK-INIZCTEOSA-N 1 1 336.439 3.100 40 0 EGABMO CCOC[C@@H]1Cn2cncc2C[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000096206481 454304468 /nfs/dbraw/zinc/30/44/68/454304468.db2.gz RNYBTKBKOWZDCK-INIZCTEOSA-N 1 1 336.439 3.100 40 0 EGABMO COc1cccc(CN2CCC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096215678 454305913 /nfs/dbraw/zinc/30/59/13/454305913.db2.gz DOMCWLGWBUQYER-NRFANRHFSA-N 1 1 344.499 3.162 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](CNc2ncccn2)O3)cs1 ZINC000096220124 454306981 /nfs/dbraw/zinc/30/69/81/454306981.db2.gz ATIFGSOXVYQZCR-SJLPKXTDSA-N 1 1 344.484 3.164 40 0 EGABMO O=C(C[C@@H]1CO[C@@H]2C[N@H+](C3CCCCC3)C[C@H]12)NCc1cccs1 ZINC000096218943 454307550 /nfs/dbraw/zinc/30/75/50/454307550.db2.gz LNLNYKWUUQFORO-ZTFGCOKTSA-N 1 1 348.512 3.034 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4ncccn4)CO3)C2)s1 ZINC000096222578 454309012 /nfs/dbraw/zinc/30/90/12/454309012.db2.gz HECZIZUNNFBAFD-MAUKXSAKSA-N 1 1 345.468 3.049 40 0 EGABMO O=C(c1ccsc1)N1CCC2(CCC[N@H+]2Cc2cccnc2)CC1 ZINC000096227979 454309573 /nfs/dbraw/zinc/30/95/73/454309573.db2.gz PUVFNBRNEPBRRC-UHFFFAOYSA-N 1 1 341.480 3.414 40 0 EGABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1ccccc1C)CC2 ZINC000096240327 454311964 /nfs/dbraw/zinc/31/19/64/454311964.db2.gz NJNPIGJWGPHKOL-GOSISDBHSA-N 1 1 344.499 3.347 40 0 EGABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]32)C(=O)N1C ZINC000096261588 454315091 /nfs/dbraw/zinc/31/50/91/454315091.db2.gz GEHVHJJYLSWXMO-SIXWZSSISA-N 1 1 345.874 3.201 40 0 EGABMO C[N@@H+](CCOC[C@@H]1CCCO1)[C@@H](c1ccccc1)c1ccccn1 ZINC000096421122 454335247 /nfs/dbraw/zinc/33/52/47/454335247.db2.gz NFDUSHVADZQGKA-ICSRJNTNSA-N 1 1 326.440 3.298 40 0 EGABMO CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1cscn1 ZINC000096431764 454342019 /nfs/dbraw/zinc/34/20/19/454342019.db2.gz KADWPQFGFVKIBX-SFHVURJKSA-N 1 1 343.496 3.199 40 0 EGABMO O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCc2ccncc2)C1 ZINC000096483685 454366757 /nfs/dbraw/zinc/36/67/57/454366757.db2.gz AESKDEZQMFYFSU-IRXDYDNUSA-N 1 1 336.357 3.451 40 0 EGABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccncc4)C3)o2)cc1 ZINC000049170232 454537179 /nfs/dbraw/zinc/53/71/79/454537179.db2.gz QRVWBOYEBRDJLI-KRWDZBQOSA-N 1 1 349.438 3.187 40 0 biogenic,in-vitro EGABMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000052567614 454685245 /nfs/dbraw/zinc/68/52/45/454685245.db2.gz GWIKTCAIDIIMEL-QAPCUYQASA-N 1 1 340.471 3.491 40 0 EGABMO Cc1ncsc1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000107712068 454769815 /nfs/dbraw/zinc/76/98/15/454769815.db2.gz SEWYPOTXDYBQCO-ROUUACIJSA-N 1 1 336.501 3.249 40 0 EGABMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccco2)[C@H]1c1cccs1 ZINC000110630302 454849865 /nfs/dbraw/zinc/84/98/65/454849865.db2.gz IBICKUORQFEJNB-CJNGLKHVSA-N 1 1 333.457 3.223 40 0 EGABMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000175336905 455439267 /nfs/dbraw/zinc/43/92/67/455439267.db2.gz DRVSYJOUTSNECA-MLGOLLRUSA-N 1 1 340.389 3.442 40 0 EGABMO CCc1ocnc1C(=O)OC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000248179511 455695713 /nfs/dbraw/zinc/69/57/13/455695713.db2.gz CKKHVRQLKVUALX-KSSFIOAISA-N 1 1 344.411 3.095 40 0 EGABMO Cc1ncccc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248588327 455720907 /nfs/dbraw/zinc/72/09/07/455720907.db2.gz GRQXVFIOODIXBH-YESZJQIVSA-N 1 1 331.460 3.125 40 0 EGABMO OCC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000248763067 455729690 /nfs/dbraw/zinc/72/96/90/455729690.db2.gz DWCYDJFNLYTUQD-YSTOQKLRSA-N 1 1 340.467 3.488 40 0 EGABMO Cc1nc(C2CC2)oc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000253420629 455844232 /nfs/dbraw/zinc/84/42/32/455844232.db2.gz ZIWSHANXQKELEB-CXAGYDPISA-N 1 1 339.439 3.253 40 0 EGABMO CCc1cc(N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)nc(C)[nH+]1 ZINC000253430297 455847167 /nfs/dbraw/zinc/84/71/67/455847167.db2.gz XQQNDAXXRQBRIW-SFHVURJKSA-N 1 1 342.418 3.392 40 0 EGABMO Cc1csc(N2CCC([NH2+][C@H](C)c3nc(C(C)(C)C)no3)CC2)n1 ZINC000253429602 455847592 /nfs/dbraw/zinc/84/75/92/455847592.db2.gz UABBCESFDQJIHA-GFCCVEGCSA-N 1 1 349.504 3.452 40 0 EGABMO CNc1cnc(C[C@@H]2CCC[N@@H+](Cc3scnc3C)CC2)cn1 ZINC000257297341 455885314 /nfs/dbraw/zinc/88/53/14/455885314.db2.gz RGVNCSYQXQTIGS-CQSZACIVSA-N 1 1 331.489 3.128 40 0 EGABMO CNc1nccc([C@@H]2CCCC[N@@H+]2Cc2ccc(OC)c(OC)c2)n1 ZINC000257340992 455895477 /nfs/dbraw/zinc/89/54/77/455895477.db2.gz ZIKGWIMRRZXZDB-INIZCTEOSA-N 1 1 342.443 3.263 40 0 EGABMO CNc1nccc([C@@H]2CCCC[N@H+]2Cc2ccc(OC)c(OC)c2)n1 ZINC000257340992 455895483 /nfs/dbraw/zinc/89/54/83/455895483.db2.gz ZIKGWIMRRZXZDB-INIZCTEOSA-N 1 1 342.443 3.263 40 0 EGABMO CCN(CC)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c(O)c1 ZINC000195546790 455982674 /nfs/dbraw/zinc/98/26/74/455982674.db2.gz YROCVBBXKXSISH-YJBOKZPZSA-N 1 1 347.503 3.041 40 0 EGABMO C[C@H]([NH2+]Cc1cnn(C)c1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000195553502 455983796 /nfs/dbraw/zinc/98/37/96/455983796.db2.gz HXJXMMZQPFFLPU-JTQLQIEISA-N 1 1 337.349 3.176 40 0 EGABMO Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)c2ccccc2n1 ZINC000195557775 455985179 /nfs/dbraw/zinc/98/51/79/455985179.db2.gz ZNWDAMFYUZIYRK-IBGZPJMESA-N 1 1 339.439 3.125 40 0 EGABMO C[C@H]1CCC[N@@H+](CCCNC(=O)COc2ccc3c(c2)CCCC3)C1 ZINC000223396908 456055880 /nfs/dbraw/zinc/05/58/80/456055880.db2.gz WILBCOJTUNZZED-KRWDZBQOSA-N 1 1 344.499 3.182 40 0 EGABMO C[C@H](C[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000225476545 456086372 /nfs/dbraw/zinc/08/63/72/456086372.db2.gz JHEJKAQFHFQIMK-MLGOLLRUSA-N 1 1 327.877 3.095 40 0 EGABMO C[C@H](C[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000225476545 456086380 /nfs/dbraw/zinc/08/63/80/456086380.db2.gz JHEJKAQFHFQIMK-MLGOLLRUSA-N 1 1 327.877 3.095 40 0 EGABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000225586826 456094552 /nfs/dbraw/zinc/09/45/52/456094552.db2.gz GGRCZJZUTKJZPA-LBPRGKRZSA-N 1 1 330.350 3.441 40 0 EGABMO COC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225599302 456097641 /nfs/dbraw/zinc/09/76/41/456097641.db2.gz BVIJYVIBGCIVNH-IYBDPMFKSA-N 1 1 348.487 3.407 40 0 EGABMO CCCC[C@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000225693087 456104165 /nfs/dbraw/zinc/10/41/65/456104165.db2.gz LBPGTGXYRCEKLJ-RDJZCZTQSA-N 1 1 345.487 3.149 40 0 EGABMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CCOc3c(Cl)cccc31)C2 ZINC000289942747 456189479 /nfs/dbraw/zinc/18/94/79/456189479.db2.gz LPQOFFKIHWSLPE-MLGOLLRUSA-N 1 1 345.830 3.047 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)N(CC2CC2)C(=O)c2cccn23)s1 ZINC000306140784 456567570 /nfs/dbraw/zinc/56/75/70/456567570.db2.gz VEGHYFWRUAUWIC-MSOLQXFVSA-N 1 1 341.480 3.149 40 0 EGABMO O=C(C1CC1)N1CCC[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306144309 456570197 /nfs/dbraw/zinc/57/01/97/456570197.db2.gz ZCASKUDCGBSSAR-SFHVURJKSA-N 1 1 332.407 3.470 40 0 EGABMO COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000363521230 457355364 /nfs/dbraw/zinc/35/53/64/457355364.db2.gz YIUSFRMITVPAOT-XKQJLSEDSA-N 1 1 349.450 3.164 40 0 EGABMO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](CC2CCCCC2)CC[C@@]1(C)O ZINC000514288764 458798602 /nfs/dbraw/zinc/79/86/02/458798602.db2.gz BLGQGPDIPPUQPF-PCCBWWKXSA-N 1 1 344.499 3.269 40 0 biogenic,in-vitro EGABMO CC[C@H](C)[N@H+]1CCOC[C@@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585103646 459823844 /nfs/dbraw/zinc/82/38/44/459823844.db2.gz DZDZEJYYNNLVES-ZWOKBUDYSA-N 1 1 330.472 3.097 40 0 EGABMO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)o1 ZINC000585105522 459825109 /nfs/dbraw/zinc/82/51/09/459825109.db2.gz YTNCOCYGFKXBKR-KRWDZBQOSA-N 1 1 337.485 3.091 40 0 EGABMO COCC[N@H+]1CCCC[C@@H]1C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000585113261 459826220 /nfs/dbraw/zinc/82/62/20/459826220.db2.gz XEUSDWGBIFOAGZ-LJQANCHMSA-N 1 1 348.462 3.179 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@]3(CCN(C(=O)c4ccco4)C3)C2)o1 ZINC000306125655 547460135 /nfs/dbraw/zinc/46/01/35/547460135.db2.gz CXBOOBAJAYUFNG-MJGOQNOKSA-N 1 1 346.402 3.257 40 0 EGABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000072324606 216151465 /nfs/dbraw/zinc/15/14/65/216151465.db2.gz YCFCRGCODZFDGT-GUYCJALGSA-N 1 1 330.863 3.399 40 0 EGABMO c1cn(-c2cncc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)n2)cn1 ZINC000072355494 216165012 /nfs/dbraw/zinc/16/50/12/216165012.db2.gz HHHZRRKAWOUHDZ-GOSISDBHSA-N 1 1 333.439 3.084 40 0 EGABMO CCn1cc(C[N@H+]2CCC[C@H]2c2cccc(-n3ccnc3C)n2)cn1 ZINC000072355507 216163683 /nfs/dbraw/zinc/16/36/83/216163683.db2.gz HGYVJZRGOJMJGU-SFHVURJKSA-N 1 1 336.443 3.129 40 0 EGABMO Cc1cc(CCC(=O)Nc2cn[nH]c2)cc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072366852 216172523 /nfs/dbraw/zinc/17/25/23/216172523.db2.gz BQVQMHWXCGRPQH-GOSISDBHSA-N 1 1 341.459 3.230 40 0 EGABMO C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)cn3nnnc23)C1 ZINC000072392331 216191134 /nfs/dbraw/zinc/19/11/34/216191134.db2.gz FIHYSXHRGAYYAZ-CYBMUJFWSA-N 1 1 325.391 3.162 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000072390050 216191194 /nfs/dbraw/zinc/19/11/94/216191194.db2.gz YKWIDEYIIXEEHZ-MRXNPFEDSA-N 1 1 335.411 3.215 40 0 EGABMO NC(=O)CC1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000072959374 216332814 /nfs/dbraw/zinc/33/28/14/216332814.db2.gz CYKGPCQGBNGIGB-UHFFFAOYSA-N 1 1 345.668 3.190 40 0 EGABMO c1ccc(C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000022240011 212285201 /nfs/dbraw/zinc/28/52/01/212285201.db2.gz AGMZWJCXRAGFQR-UHFFFAOYSA-N 1 1 334.423 3.054 40 0 EGABMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(Cl)s3)sc2C1 ZINC000021295048 212219040 /nfs/dbraw/zinc/21/90/40/212219040.db2.gz NWXPPJXYCTVWNF-UHFFFAOYSA-N 1 1 327.862 3.488 40 0 EGABMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(Cl)s3)sc2C1 ZINC000021295048 212219044 /nfs/dbraw/zinc/21/90/44/212219044.db2.gz NWXPPJXYCTVWNF-UHFFFAOYSA-N 1 1 327.862 3.488 40 0 EGABMO Cc1ccccc1O[C@H](C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020462144 212133704 /nfs/dbraw/zinc/13/37/04/212133704.db2.gz UCOFJZFXETWPBD-SOLBZPMBSA-N 1 1 332.488 3.247 40 0 EGABMO COc1ccccc1CNc1[nH]nc2nc([C@H]3CCC[NH2+]C3)ccc21 ZINC000257202198 244121497 /nfs/dbraw/zinc/12/14/97/244121497.db2.gz AKVVGDUBWCBSNP-ZDUSSCGKSA-N 1 1 337.427 3.046 40 0 EGABMO c1cc2c(cccc2C[C@@H]2COCC[N@H+](CC3CCOCC3)C2)o1 ZINC000257242007 244246918 /nfs/dbraw/zinc/24/69/18/244246918.db2.gz IAPYUQKZJNQIMX-KRWDZBQOSA-N 1 1 329.440 3.350 40 0 EGABMO Cn1c(C[N@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)nc2ccccc21 ZINC000257250220 244267664 /nfs/dbraw/zinc/26/76/64/244267664.db2.gz JLOULRBRNIERKX-OAHLLOKOSA-N 1 1 346.438 3.224 40 0 EGABMO COc1ccc(C[N@@H+]2CCO[C@H](c3nc(C)c[nH]3)C2)c2ccccc12 ZINC000257259378 244345906 /nfs/dbraw/zinc/34/59/06/244345906.db2.gz KYCVHFNNAHOSDT-IBGZPJMESA-N 1 1 337.423 3.453 40 0 EGABMO COc1ccc(C[N@H+]2CCO[C@H](c3nc(C)c[nH]3)C2)c2ccccc12 ZINC000257259378 244345910 /nfs/dbraw/zinc/34/59/10/244345910.db2.gz KYCVHFNNAHOSDT-IBGZPJMESA-N 1 1 337.423 3.453 40 0 EGABMO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cn(C)c2ccc(F)cc12 ZINC000019749145 212062070 /nfs/dbraw/zinc/06/20/70/212062070.db2.gz XGVWBVCNEGTPHX-KRWDZBQOSA-N 1 1 331.435 3.198 40 0 EGABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000019557235 212042267 /nfs/dbraw/zinc/04/22/67/212042267.db2.gz ZJAGKICBNVDBRS-RBUKOAKNSA-N 1 1 334.423 3.197 40 0 EGABMO COc1cc2cccnc2c(NCCCCCC[NH+]2CCNCC2)c1 ZINC000019365959 212022755 /nfs/dbraw/zinc/02/27/55/212022755.db2.gz UIRZDUOBYUVTGL-UHFFFAOYSA-N 1 1 342.487 3.121 40 0 EGABMO Fc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1F ZINC000019292846 212012777 /nfs/dbraw/zinc/01/27/77/212012777.db2.gz AAWCGOGNCNQTFA-CQSZACIVSA-N 1 1 342.349 3.399 40 0 EGABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2nn(C)c3ncccc23)C1 ZINC000019289502 212012021 /nfs/dbraw/zinc/01/20/21/212012021.db2.gz YNWXYVMAPVIANK-MRXNPFEDSA-N 1 1 336.439 3.357 40 0 EGABMO COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@H+](C4CCCC4)C[C@@H]32)c1 ZINC000019019399 211996630 /nfs/dbraw/zinc/99/66/30/211996630.db2.gz OXJNVZCPIYZVLN-NJDAHSKKSA-N 1 1 342.483 3.274 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(NC(C)=O)c1 ZINC000079101281 217192431 /nfs/dbraw/zinc/19/24/31/217192431.db2.gz URRHFIUTYQKZMV-KRWDZBQOSA-N 1 1 332.448 3.031 40 0 EGABMO O[C@@]1(c2cccnc2)CCC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000012337136 211350778 /nfs/dbraw/zinc/35/07/78/211350778.db2.gz GCEVUISTTAMAGY-RIFZZMRRSA-N 1 1 344.405 3.480 40 0 EGABMO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2)n1 ZINC000012185919 211313539 /nfs/dbraw/zinc/31/35/39/211313539.db2.gz XDDWGZKCMFJOEC-IBGZPJMESA-N 1 1 339.439 3.156 40 0 EGABMO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CCC(C)CC2)CC1 ZINC000012113263 211293292 /nfs/dbraw/zinc/29/32/92/211293292.db2.gz SBPHWEOJGVEEMD-SFHVURJKSA-N 1 1 343.515 3.060 40 0 EGABMO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)n1cnc2ccccc21 ZINC000012148558 211307905 /nfs/dbraw/zinc/30/79/05/211307905.db2.gz SGFVFIPOMBHZGP-FUHWJXTLSA-N 1 1 342.487 3.224 40 0 EGABMO CCCc1ncc(C[N@H+]2CCCN(c3cccc(OC)c3)CC2)cn1 ZINC000012148153 211307218 /nfs/dbraw/zinc/30/72/18/211307218.db2.gz MEBSZVVSAWIZFN-UHFFFAOYSA-N 1 1 340.471 3.150 40 0 EGABMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3nc(OC)ccc3c2)C1 ZINC000096453142 218836952 /nfs/dbraw/zinc/83/69/52/218836952.db2.gz LFHWMFYPEWTJHL-AWEZNQCLSA-N 1 1 342.443 3.049 40 0 EGABMO C[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000096071410 277070830 /nfs/dbraw/zinc/07/08/30/277070830.db2.gz CXJPBUZRALDDJF-INIZCTEOSA-N 1 1 326.362 3.406 40 0 EGABMO C[N@H+]1CCC[C@]12CCCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000096071411 277085194 /nfs/dbraw/zinc/08/51/94/277085194.db2.gz CXJPBUZRALDDJF-MRXNPFEDSA-N 1 1 326.362 3.406 40 0 EGABMO C[C@@H]1C[C@H](OC[C@H](O)C[N@@H+](CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000095532666 279001271 /nfs/dbraw/zinc/00/12/71/279001271.db2.gz FKQLTXLKHRPMII-RLLQIKCJSA-N 1 1 349.515 3.073 40 0 EGABMO CC[C@H](OC[C@H](O)C[N@@H+](CCO)Cc1ccccc1)c1ccccc1 ZINC000002694627 281012022 /nfs/dbraw/zinc/01/20/22/281012022.db2.gz ITVGMNRFDVQDOW-RTWAWAEBSA-N 1 1 343.467 3.010 40 0 EGABMO Cc1ccccc1C(=O)N1CCCn2cnc(C[N@@H+](C)C(C)C)c2C1 ZINC000096259225 281333315 /nfs/dbraw/zinc/33/33/15/281333315.db2.gz NCEBVPYKAYXDNK-UHFFFAOYSA-N 1 1 340.471 3.078 40 0 EGABMO Cc1ccccc1C(=O)N1CCCn2cnc(C[N@H+](C)C(C)C)c2C1 ZINC000096259225 281333320 /nfs/dbraw/zinc/33/33/20/281333320.db2.gz NCEBVPYKAYXDNK-UHFFFAOYSA-N 1 1 340.471 3.078 40 0 EGABMO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000090723575 323214746 /nfs/dbraw/zinc/21/47/46/323214746.db2.gz DRGLEBUWCZBKTR-LZJOCLMNSA-N 1 1 346.515 3.201 40 0 EGABMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000090723575 323214749 /nfs/dbraw/zinc/21/47/49/323214749.db2.gz DRGLEBUWCZBKTR-LZJOCLMNSA-N 1 1 346.515 3.201 40 0 EGABMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000090723575 323214750 /nfs/dbraw/zinc/21/47/50/323214750.db2.gz DRGLEBUWCZBKTR-LZJOCLMNSA-N 1 1 346.515 3.201 40 0 EGABMO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000179538450 323392043 /nfs/dbraw/zinc/39/20/43/323392043.db2.gz ZGRKOSJMESXMFV-MBNYPGIVSA-N 1 1 325.456 3.304 40 0 EGABMO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000179538450 323392047 /nfs/dbraw/zinc/39/20/47/323392047.db2.gz ZGRKOSJMESXMFV-MBNYPGIVSA-N 1 1 325.456 3.304 40 0 EGABMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3F)[C@@H](C)C2)s1 ZINC000239367406 455261830 /nfs/dbraw/zinc/26/18/30/455261830.db2.gz AIOPLLZVLIPHGT-YVEFUNNKSA-N 1 1 347.459 3.231 40 0 EGABMO C[N@H+]1CCC[C@@H](OC(=O)[C@@H](c2ccccc2)C2(O)CCCCC2)C1 ZINC000005119317 452838497 /nfs/dbraw/zinc/83/84/97/452838497.db2.gz PPTLBEHNSNNAFL-QZTJIDSGSA-N 1 1 331.456 3.103 40 0 EGABMO C[C@]1([NH+]2CCCCC2)COc2ccc(Br)cc2[C@@H]1O ZINC000005531028 452880858 /nfs/dbraw/zinc/88/08/58/452880858.db2.gz NLDQZKXOEPFGRX-GJZGRUSLSA-N 1 1 326.234 3.120 40 0 EGABMO COc1ccc2oc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)c(C)c2c1 ZINC000006608953 452960688 /nfs/dbraw/zinc/96/06/88/452960688.db2.gz JFNUZJIZKKZGML-OAHLLOKOSA-N 1 1 342.395 3.376 40 0 EGABMO Cc1cc(-c2snnc2[C@@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)on1 ZINC000013226068 453454590 /nfs/dbraw/zinc/45/45/90/453454590.db2.gz JKJYHRFGBXHNPF-KGLIPLIRSA-N 1 1 346.456 3.374 40 0 EGABMO CN1CC[C@@]2([C@@]34CC[N@H+](C)[C@@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000013837636 453491693 /nfs/dbraw/zinc/49/16/93/453491693.db2.gz HOYXPMHLHJOGHD-FNAHDJPLSA-N 1 1 346.478 3.037 40 0 biogenic,in-vitro EGABMO CN1CC[C@@]2([C@@]34CC[N@@H+](C)[C@@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000013837636 453491703 /nfs/dbraw/zinc/49/17/03/453491703.db2.gz HOYXPMHLHJOGHD-FNAHDJPLSA-N 1 1 346.478 3.037 40 0 biogenic,in-vitro EGABMO Cc1cc(N2CCC(c3ccc(-c4cncnc4)cn3)CC2)nc(C)[nH+]1 ZINC000019689088 453658250 /nfs/dbraw/zinc/65/82/50/453658250.db2.gz ODIABMYZEQBQKN-UHFFFAOYSA-N 1 1 346.438 3.329 40 0 EGABMO C[N@H+]1CCCC[C@@H]2[C@H]1CCN2C(=O)CCc1c[nH]c2ccccc12 ZINC000019712569 453658864 /nfs/dbraw/zinc/65/88/64/453658864.db2.gz RERANWOVJSLEOV-RTBURBONSA-N 1 1 325.456 3.186 40 0 EGABMO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000028234547 453822697 /nfs/dbraw/zinc/82/26/97/453822697.db2.gz XPECJTSWPXNAAP-LJQANCHMSA-N 1 1 337.423 3.248 40 0 EGABMO C[N@@H+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)[C@H](c2ccccc2)C1 ZINC000030030291 453833603 /nfs/dbraw/zinc/83/36/03/453833603.db2.gz OMUKFVSANQJYLX-IBGZPJMESA-N 1 1 348.450 3.011 40 0 EGABMO C[N@H+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)[C@H](c2ccccc2)C1 ZINC000030030291 453833604 /nfs/dbraw/zinc/83/36/04/453833604.db2.gz OMUKFVSANQJYLX-IBGZPJMESA-N 1 1 348.450 3.011 40 0 EGABMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc(C)s1 ZINC000075324472 453879434 /nfs/dbraw/zinc/87/94/34/453879434.db2.gz ZSHYLTVBTPVXQZ-KRWDZBQOSA-N 1 1 343.496 3.436 40 0 EGABMO CSc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000041778570 453977289 /nfs/dbraw/zinc/97/72/89/453977289.db2.gz PGNXWZNBXXBIAN-UHFFFAOYSA-N 1 1 326.465 3.367 40 0 EGABMO CC[C@]12C=CC[N@@H+]3CC[C@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]32 ZINC000071404426 454206471 /nfs/dbraw/zinc/20/64/71/454206471.db2.gz FNGGIPWAZSFKCN-QHAWAJNXSA-N 1 1 336.435 3.221 40 0 EGABMO COc1cccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000046062736 454213500 /nfs/dbraw/zinc/21/35/00/454213500.db2.gz STRRAUUJXGDLBI-UHFFFAOYSA-N 1 1 339.439 3.265 40 0 EGABMO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(F)cc3)[nH]2)cc1OC ZINC000095534209 454230715 /nfs/dbraw/zinc/23/07/15/454230715.db2.gz JKCNNUDTQWEGSC-MRXNPFEDSA-N 1 1 342.374 3.066 40 0 EGABMO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000071873506 454238067 /nfs/dbraw/zinc/23/80/67/454238067.db2.gz OZONDJGFGFIMQN-PXNSSMCTSA-N 1 1 344.499 3.363 40 0 EGABMO Cc1csc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)n1 ZINC000096039916 454265519 /nfs/dbraw/zinc/26/55/19/454265519.db2.gz IVNQIJBEZJPDBE-SJLPKXTDSA-N 1 1 336.501 3.249 40 0 EGABMO c1ccc2nc(C[N@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)ccc2c1 ZINC000096041602 454266494 /nfs/dbraw/zinc/26/64/94/454266494.db2.gz XARLOOVQOHJQTR-PWRODBHTSA-N 1 1 338.451 3.393 40 0 EGABMO c1ccc2nc(C[N@@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)ccc2c1 ZINC000096041602 454266498 /nfs/dbraw/zinc/26/64/98/454266498.db2.gz XARLOOVQOHJQTR-PWRODBHTSA-N 1 1 338.451 3.393 40 0 EGABMO Fc1cccnc1N[C@H]1CO[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096047634 454269799 /nfs/dbraw/zinc/26/97/99/454269799.db2.gz OSNRCXSBVAZSAT-RHSMWYFYSA-N 1 1 333.432 3.128 40 0 EGABMO Cc1ccc(C(=O)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)o1 ZINC000096046519 454270633 /nfs/dbraw/zinc/27/06/33/454270633.db2.gz KKRMVLQOVJMHIX-UHFFFAOYSA-N 1 1 339.439 3.111 40 0 EGABMO CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096047997 454271642 /nfs/dbraw/zinc/27/16/42/454271642.db2.gz YCMVVDRBPHZKPO-INIZCTEOSA-N 1 1 330.428 3.128 40 0 EGABMO c1cc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)cs1 ZINC000096058093 454273797 /nfs/dbraw/zinc/27/37/97/454273797.db2.gz BNDNBURRRQIEHB-KSZLIROESA-N 1 1 330.453 3.092 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)s1 ZINC000096055762 454273828 /nfs/dbraw/zinc/27/38/28/454273828.db2.gz KQYSFQCJCDYOJZ-ZWKOTPCHSA-N 1 1 341.480 3.135 40 0 EGABMO [NH3+][C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1F ZINC000072227315 454274952 /nfs/dbraw/zinc/27/49/52/454274952.db2.gz APKJQAKURPCHJC-KBPBESRZSA-N 1 1 335.176 3.003 40 0 EGABMO COc1cccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000072227766 454275266 /nfs/dbraw/zinc/27/52/66/454275266.db2.gz SUXURGATXKYYCX-LSDHHAIUSA-N 1 1 336.313 3.129 40 0 EGABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1ccc(F)cc1)[C@@H]2C ZINC000096061978 454278116 /nfs/dbraw/zinc/27/81/16/454278116.db2.gz SSGDQXGGAPFGCC-OAHLLOKOSA-N 1 1 330.451 3.439 40 0 EGABMO Cn1cccc1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC000096158135 454295422 /nfs/dbraw/zinc/29/54/22/454295422.db2.gz WYGBSVSZNLMWAJ-IBGZPJMESA-N 1 1 343.496 3.215 40 0 EGABMO O=C(c1cccc(Cl)c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC000096184649 454298340 /nfs/dbraw/zinc/29/83/40/454298340.db2.gz DIJYAXFLRHMKPU-ZWKOTPCHSA-N 1 1 341.842 3.224 40 0 EGABMO O=C(c1cccc(Cl)c1)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CCOCC1 ZINC000096184446 454298363 /nfs/dbraw/zinc/29/83/63/454298363.db2.gz ZYRKWCNAKOJSJK-ZWKOTPCHSA-N 1 1 348.874 3.055 40 0 EGABMO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CC2CCCC2)cs1 ZINC000096186376 454299316 /nfs/dbraw/zinc/29/93/16/454299316.db2.gz ZYNHYMVTTDCCIS-IAGOWNOFSA-N 1 1 333.501 3.207 40 0 EGABMO COCCO[C@@H]1CC[N@@H+](Cc2c(C)noc2C)[C@H]1Cc1ccccc1 ZINC000096200073 454303169 /nfs/dbraw/zinc/30/31/69/454303169.db2.gz RQBUQQAKKIIQOF-VQTJNVASSA-N 1 1 344.455 3.140 40 0 EGABMO Cc1noc(C[C@@H]2CO[C@@H]3C[N@@H+](Cc4cccc5ccccc54)C[C@H]23)n1 ZINC000096216045 454306134 /nfs/dbraw/zinc/30/61/34/454306134.db2.gz LQVNYKLTTYXHNL-MISYRCLQSA-N 1 1 349.434 3.221 40 0 EGABMO c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)cc1 ZINC000096209146 454306271 /nfs/dbraw/zinc/30/62/71/454306271.db2.gz SHRXJUVRFWZELW-KURKYZTESA-N 1 1 339.439 3.027 40 0 EGABMO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1sccc1C)C2 ZINC000096217775 454307651 /nfs/dbraw/zinc/30/76/51/454307651.db2.gz DAVWRANARBXOEN-MJGOQNOKSA-N 1 1 334.529 3.237 40 0 EGABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1sccc1C)C2 ZINC000096217775 454307654 /nfs/dbraw/zinc/30/76/54/454307654.db2.gz DAVWRANARBXOEN-MJGOQNOKSA-N 1 1 334.529 3.237 40 0 EGABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(F)c1)C2 ZINC000096220661 454307978 /nfs/dbraw/zinc/30/79/78/454307978.db2.gz QOORRGIOAFSQPD-ICSRJNTNSA-N 1 1 332.463 3.006 40 0 EGABMO COCc1cc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)no1 ZINC000096430613 454341030 /nfs/dbraw/zinc/34/10/30/454341030.db2.gz IXCQVPIFRUJFSD-AWEZNQCLSA-N 1 1 343.427 3.448 40 0 EGABMO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000096430901 454342150 /nfs/dbraw/zinc/34/21/50/454342150.db2.gz PISPJYXFQMROOO-WDEREUQCSA-N 1 1 345.306 3.024 40 0 EGABMO C[N@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000096460092 454358763 /nfs/dbraw/zinc/35/87/63/454358763.db2.gz QZCHMVSFUOCTTA-KGLIPLIRSA-N 1 1 335.391 3.103 40 0 EGABMO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000096460092 454358768 /nfs/dbraw/zinc/35/87/68/454358768.db2.gz QZCHMVSFUOCTTA-KGLIPLIRSA-N 1 1 335.391 3.103 40 0 EGABMO COc1ccc(CNc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1O ZINC000096482870 454365322 /nfs/dbraw/zinc/36/53/22/454365322.db2.gz BPYCHCVXCGMVFU-HNNXBMFYSA-N 1 1 342.439 3.406 40 0 EGABMO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000097380078 454435475 /nfs/dbraw/zinc/43/54/75/454435475.db2.gz JGWAQJZQXKQPHZ-AWEZNQCLSA-N 1 1 331.441 3.123 40 0 EGABMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000097380078 454435479 /nfs/dbraw/zinc/43/54/79/454435479.db2.gz JGWAQJZQXKQPHZ-AWEZNQCLSA-N 1 1 331.441 3.123 40 0 EGABMO CCN(C)c1ccccc1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000245344120 455282536 /nfs/dbraw/zinc/28/25/36/455282536.db2.gz XQGYULIXHHVNID-JZXOWHBKSA-N 1 1 342.487 3.091 40 0 EGABMO Fc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000247521197 455616734 /nfs/dbraw/zinc/61/67/34/455616734.db2.gz LOZOEKSKFCBRET-QGZVFWFLSA-N 1 1 344.455 3.497 40 0 EGABMO c1csc(C[N@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1 ZINC000247823226 455648171 /nfs/dbraw/zinc/64/81/71/455648171.db2.gz HTFXWPNKDZRIQQ-UAGQMJEPSA-N 1 1 330.453 3.202 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1 ZINC000247823226 455648177 /nfs/dbraw/zinc/64/81/77/455648177.db2.gz HTFXWPNKDZRIQQ-UAGQMJEPSA-N 1 1 330.453 3.202 40 0 EGABMO O=C1N[C@]2(CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)Nc2ccccc21 ZINC000247960021 455660801 /nfs/dbraw/zinc/66/08/01/455660801.db2.gz PURXELHQIVUYIF-CDXJDZJCSA-N 1 1 333.435 3.080 40 0 EGABMO CC(C)(C)OC(=O)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252487478 455810850 /nfs/dbraw/zinc/81/08/50/455810850.db2.gz YKNYBBXOYYPXBJ-MSOLQXFVSA-N 1 1 330.472 3.358 40 0 EGABMO C[C@@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2cnccn2)cc1 ZINC000253601461 455854639 /nfs/dbraw/zinc/85/46/39/455854639.db2.gz AXTHRHCEIFJGDH-NVXWUHKLSA-N 1 1 338.455 3.249 40 0 EGABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4c[nH]cn4)[C@@H]3C[C@H]21 ZINC000257216620 455880579 /nfs/dbraw/zinc/88/05/79/455880579.db2.gz CVJYZUQRGUACMB-RWQQGDIJSA-N 1 1 339.439 3.301 40 0 EGABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4c[nH]cn4)[C@@H]3C[C@H]21 ZINC000257216620 455880585 /nfs/dbraw/zinc/88/05/85/455880585.db2.gz CVJYZUQRGUACMB-RWQQGDIJSA-N 1 1 339.439 3.301 40 0 EGABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4cnc[nH]4)[C@@H]3C[C@H]21 ZINC000257216620 455880587 /nfs/dbraw/zinc/88/05/87/455880587.db2.gz CVJYZUQRGUACMB-RWQQGDIJSA-N 1 1 339.439 3.301 40 0 EGABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4cnc[nH]4)[C@@H]3C[C@H]21 ZINC000257216620 455880591 /nfs/dbraw/zinc/88/05/91/455880591.db2.gz CVJYZUQRGUACMB-RWQQGDIJSA-N 1 1 339.439 3.301 40 0 EGABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2cccc(F)c2)n1 ZINC000257322669 455891438 /nfs/dbraw/zinc/89/14/38/455891438.db2.gz WGXYLDUXUFMKEC-LJQANCHMSA-N 1 1 327.403 3.194 40 0 EGABMO Cn1ccnc1C[N@H+]1CCC[C@@H](Cc2ccnc3ccncc23)CC1 ZINC000257328790 455892531 /nfs/dbraw/zinc/89/25/31/455892531.db2.gz XHDJKPAURAFXMB-MRXNPFEDSA-N 1 1 335.455 3.208 40 0 EGABMO CCc1ccc(OCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000225165378 456073916 /nfs/dbraw/zinc/07/39/16/456073916.db2.gz ATHNXHJQEGIGEI-LJQANCHMSA-N 1 1 326.440 3.047 40 0 EGABMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000225573833 456094890 /nfs/dbraw/zinc/09/48/90/456094890.db2.gz LIWIJINDHCTMOK-HZPDHXFCSA-N 1 1 347.503 3.141 40 0 EGABMO Clc1ccccc1C[N@H+]1CC=C(c2nn3cnnc3s2)CC1 ZINC000226250480 456107803 /nfs/dbraw/zinc/10/78/03/456107803.db2.gz XWPPIKYOWGKEDG-UHFFFAOYSA-N 1 1 331.832 3.129 40 0 EGABMO Clc1ccccc1C[N@@H+]1CC=C(c2nn3cnnc3s2)CC1 ZINC000226250480 456107809 /nfs/dbraw/zinc/10/78/09/456107809.db2.gz XWPPIKYOWGKEDG-UHFFFAOYSA-N 1 1 331.832 3.129 40 0 EGABMO O=C(c1ccccc1F)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408611516 457583469 /nfs/dbraw/zinc/58/34/69/457583469.db2.gz SSAIWROSAVTOKG-SFHVURJKSA-N 1 1 338.426 3.489 40 0 EGABMO CNC(=O)C[C@H]1Cn2cccc2C[N@H+](Cc2cccc3ccccc32)C1 ZINC000585099128 459822705 /nfs/dbraw/zinc/82/27/05/459822705.db2.gz OCJRSNCGEDFZDR-QGZVFWFLSA-N 1 1 347.462 3.409 40 0 EGABMO CNC(=O)C[C@H]1Cn2cccc2C[N@@H+](Cc2cccc3ccccc32)C1 ZINC000585099128 459822713 /nfs/dbraw/zinc/82/27/13/459822713.db2.gz OCJRSNCGEDFZDR-QGZVFWFLSA-N 1 1 347.462 3.409 40 0 EGABMO CC(C)C[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 ZINC000585109539 459825309 /nfs/dbraw/zinc/82/53/09/459825309.db2.gz BAAZANFXCKNUNM-SLFFLAALSA-N 1 1 335.451 3.238 40 0 EGABMO Fc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)cc1 ZINC000585105529 459825387 /nfs/dbraw/zinc/82/53/87/459825387.db2.gz YYAZAHHEWRKUNV-SFHVURJKSA-N 1 1 344.455 3.497 40 0 EGABMO O=C(NCc1ccc(O)c(F)c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000684805729 550371298 /nfs/dbraw/zinc/37/12/98/550371298.db2.gz PPJOLMZCEOZUKC-MRXNPFEDSA-N 1 1 349.450 3.128 40 0 EGABMO COc1ccc(CCNC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000038848956 213227978 /nfs/dbraw/zinc/22/79/78/213227978.db2.gz LDEPYXSBGQCYHM-UHFFFAOYSA-N 1 1 349.434 3.221 40 0 EGABMO Cc1cccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)N(C)C)C3)n2)c1 ZINC000072349505 216160790 /nfs/dbraw/zinc/16/07/90/216160790.db2.gz WRGNNALOABKOQN-GOSISDBHSA-N 1 1 337.467 3.325 40 0 EGABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(c3ccnc(C)n3)C2)n1 ZINC000072355700 216163801 /nfs/dbraw/zinc/16/38/01/216163801.db2.gz PXWOPORYJQFIPG-INIZCTEOSA-N 1 1 334.427 3.058 40 0 EGABMO O=C(Nc1cnccn1)c1cccc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072355773 216164431 /nfs/dbraw/zinc/16/44/31/216164431.db2.gz BAYAJWYHUAYCGV-QGZVFWFLSA-N 1 1 337.427 3.203 40 0 EGABMO Cc1cc(CCC(=O)Nc2cn[nH]c2)cc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072366851 216172789 /nfs/dbraw/zinc/17/27/89/216172789.db2.gz BQVQMHWXCGRPQH-SFHVURJKSA-N 1 1 341.459 3.230 40 0 EGABMO Cc1ccc(NC(=O)CCc2cc(C)nc([C@H]3CCC[N@@H+]3C)c2)nc1 ZINC000072366964 216173474 /nfs/dbraw/zinc/17/34/74/216173474.db2.gz FERHRFVVGXQOCE-GOSISDBHSA-N 1 1 338.455 3.431 40 0 EGABMO Cc1nc(NCc2ccccc2)cc([C@H]2CC[N@H+]2C2CCOCC2)n1 ZINC000072387476 216187214 /nfs/dbraw/zinc/18/72/14/216187214.db2.gz NIWKKAAGYVUUMD-LJQANCHMSA-N 1 1 338.455 3.323 40 0 EGABMO CN(C)[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1cn(C)c2ccccc12 ZINC000072395146 216192565 /nfs/dbraw/zinc/19/25/65/216192565.db2.gz MLLFBWDTKJJDGQ-PZJWPPBQSA-N 1 1 334.467 3.103 40 0 EGABMO CN(C)[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1c1cn(C)c2ccccc12 ZINC000072395146 216192569 /nfs/dbraw/zinc/19/25/69/216192569.db2.gz MLLFBWDTKJJDGQ-PZJWPPBQSA-N 1 1 334.467 3.103 40 0 EGABMO Cc1cccc(NC[C@H]2CC[N@@H+](CC3CCC4(CC3)OCCO4)C2)n1 ZINC000190242567 238326164 /nfs/dbraw/zinc/32/61/64/238326164.db2.gz LEEVFKWXUKBRLM-GOSISDBHSA-N 1 1 345.487 3.057 40 0 EGABMO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000257202649 244123938 /nfs/dbraw/zinc/12/39/38/244123938.db2.gz AMSSJTQQJNSZSS-GOSISDBHSA-N 1 1 335.411 3.481 40 0 EGABMO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000257202649 244123941 /nfs/dbraw/zinc/12/39/41/244123941.db2.gz AMSSJTQQJNSZSS-GOSISDBHSA-N 1 1 335.411 3.481 40 0 EGABMO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)ccn1 ZINC000257207610 244138741 /nfs/dbraw/zinc/13/87/41/244138741.db2.gz BIMDBGYENHMYRZ-IBGZPJMESA-N 1 1 345.393 3.333 40 0 EGABMO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)ccn1 ZINC000257207610 244138746 /nfs/dbraw/zinc/13/87/46/244138746.db2.gz BIMDBGYENHMYRZ-IBGZPJMESA-N 1 1 345.393 3.333 40 0 EGABMO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@@H](Cc4cccnc4)C3)c2n1 ZINC000257255963 244280908 /nfs/dbraw/zinc/28/09/08/244280908.db2.gz KJOUUEATXLRZDO-SFHVURJKSA-N 1 1 335.455 3.196 40 0 EGABMO CCCn1nccc1-c1cncc(C[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257269013 244369737 /nfs/dbraw/zinc/36/97/37/244369737.db2.gz MOFAYVPITRNAMC-INIZCTEOSA-N 1 1 327.476 3.413 40 0 EGABMO Cn1cncc1-c1cncc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257262893 244352449 /nfs/dbraw/zinc/35/24/49/244352449.db2.gz LNMHHHNJLIHZIE-QGZVFWFLSA-N 1 1 333.439 3.257 40 0 EGABMO CN(C)c1ncccc1C[N@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019719787 212057363 /nfs/dbraw/zinc/05/73/63/212057363.db2.gz JWWTVFSZZVAWLY-MRXNPFEDSA-N 1 1 349.482 3.479 40 0 EGABMO CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](C)C1 ZINC000019528727 212039704 /nfs/dbraw/zinc/03/97/04/212039704.db2.gz WWNDVZCWVMALKD-FQEVSTJZSA-N 1 1 341.455 3.041 40 0 EGABMO C[C@@H]1C[C@H]1C(=O)N(C)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019462660 212030922 /nfs/dbraw/zinc/03/09/22/212030922.db2.gz XYXLQFRGOUIUPI-XTIMDLJNSA-N 1 1 342.483 3.307 40 0 EGABMO OCC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(-c2ccccc2)cc1 ZINC000019374201 212023892 /nfs/dbraw/zinc/02/38/92/212023892.db2.gz SAWXWYXFPYPCLZ-VXKWHMMOSA-N 1 1 336.479 3.385 40 0 EGABMO C=Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c(C)n1 ZINC000012345372 211351834 /nfs/dbraw/zinc/35/18/34/211351834.db2.gz QGAFNKSMCJVQNZ-YOFSQIOKSA-N 1 1 341.430 3.446 40 0 EGABMO CCCc1ncc(C[N@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012242199 211329831 /nfs/dbraw/zinc/32/98/31/211329831.db2.gz BZFBRXQMFYRJOP-HXUWFJFHSA-N 1 1 343.446 3.442 40 0 EGABMO CCn1cncc1C[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCO1 ZINC000012147104 211306645 /nfs/dbraw/zinc/30/66/45/211306645.db2.gz SOGRHLZSWTVBNQ-IBGZPJMESA-N 1 1 329.444 3.093 40 0 EGABMO CCn1cncc1C[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCO1 ZINC000012147104 211306650 /nfs/dbraw/zinc/30/66/50/211306650.db2.gz SOGRHLZSWTVBNQ-IBGZPJMESA-N 1 1 329.444 3.093 40 0 EGABMO C[C@@H]1C[N@H+](C[C@@H](O)COC2CCC(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000013305068 297011657 /nfs/dbraw/zinc/01/16/57/297011657.db2.gz DFRVEFDIWXCZKT-IKKRTKPYSA-N 1 1 327.509 3.078 40 0 EGABMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1nc2cc(C)ccc2s1 ZINC000528497216 313104430 /nfs/dbraw/zinc/10/44/30/313104430.db2.gz ODKYZHUYZKCRKZ-AWEZNQCLSA-N 1 1 331.485 3.485 40 0 EGABMO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000179538438 323391848 /nfs/dbraw/zinc/39/18/48/323391848.db2.gz ZGRKOSJMESXMFV-PRDNPTHXSA-N 1 1 325.456 3.304 40 0 EGABMO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000179538438 323391852 /nfs/dbraw/zinc/39/18/52/323391852.db2.gz ZGRKOSJMESXMFV-PRDNPTHXSA-N 1 1 325.456 3.304 40 0 EGABMO COc1ccc2c(c1OC)-c1c(O)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000001665312 452671973 /nfs/dbraw/zinc/67/19/73/452671973.db2.gz IDQUPXZJURZAGF-CYBMUJFWSA-N 1 1 341.407 3.170 40 0 biogenic,in-vitro EGABMO COc1ccc2c(c1OC)-c1c(O)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000001665312 452671982 /nfs/dbraw/zinc/67/19/82/452671982.db2.gz IDQUPXZJURZAGF-CYBMUJFWSA-N 1 1 341.407 3.170 40 0 biogenic,in-vitro EGABMO O[C@]1(c2cccnc2)CCC[C@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@@H]21 ZINC000012337141 453356008 /nfs/dbraw/zinc/35/60/08/453356008.db2.gz SWBIKSIPDQMZTB-VHFSOBRXSA-N 1 1 344.405 3.480 40 0 EGABMO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCOc1ccccc1Cl ZINC000012798790 453408425 /nfs/dbraw/zinc/40/84/25/453408425.db2.gz FMCQZKMHRPYTNY-GOEBONIOSA-N 1 1 338.879 3.346 40 0 EGABMO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCOc1ccccc1Cl ZINC000012798790 453408434 /nfs/dbraw/zinc/40/84/34/453408434.db2.gz FMCQZKMHRPYTNY-GOEBONIOSA-N 1 1 338.879 3.346 40 0 EGABMO COc1ccc2c(C[N@@H+](C)CCOc3ccccc3)cc(=O)oc2c1 ZINC000012997182 453436963 /nfs/dbraw/zinc/43/69/63/453436963.db2.gz XIUOWXOXSXLXBM-UHFFFAOYSA-N 1 1 339.391 3.312 40 0 EGABMO Fc1cc(F)cc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000017072264 453628960 /nfs/dbraw/zinc/62/89/60/453628960.db2.gz SMNWHUGHLRVOHO-UHFFFAOYSA-N 1 1 347.434 3.479 40 0 EGABMO COc1ccccc1-c1nnc2n1[C@H]1C[N@@H+](C3CCCC3)C[C@H]1CC2 ZINC000019571917 453657682 /nfs/dbraw/zinc/65/76/82/453657682.db2.gz AMKFYQIDAMEQCZ-PBHICJAKSA-N 1 1 338.455 3.315 40 0 EGABMO CCC[N@H+]1C[C@H](C[S@@](C)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000022065718 453686265 /nfs/dbraw/zinc/68/62/65/453686265.db2.gz WOIHSNDTPKFAJW-WAUXWYCISA-N 1 1 330.497 3.287 40 0 in-vitro EGABMO C[C@@H](CNC(=O)CCc1cccs1)[N@@H+]1CCc2sccc2C1 ZINC000031963342 453860150 /nfs/dbraw/zinc/86/01/50/453860150.db2.gz PFHGLIOIFUACJN-ZDUSSCGKSA-N 1 1 334.510 3.305 40 0 EGABMO C[C@@H](CNC(=O)CCc1cccs1)[N@H+]1CCc2sccc2C1 ZINC000031963342 453860154 /nfs/dbraw/zinc/86/01/54/453860154.db2.gz PFHGLIOIFUACJN-ZDUSSCGKSA-N 1 1 334.510 3.305 40 0 EGABMO C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@H]1CCOC1 ZINC000083243431 453945551 /nfs/dbraw/zinc/94/55/51/453945551.db2.gz OCUNZHGIMLEGFR-GFCCVEGCSA-N 1 1 330.350 3.002 40 0 EGABMO CC[C@@H](NC(=O)NCCCn1cc[nH+]c1C)c1cc(F)ccc1F ZINC000077547205 454121124 /nfs/dbraw/zinc/12/11/24/454121124.db2.gz HVVIQEMFUIPUAR-MRXNPFEDSA-N 1 1 336.386 3.310 40 0 EGABMO C[C@@H]1C[C@@H](OC[C@H](O)C[N@@H+](CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000095532670 454230703 /nfs/dbraw/zinc/23/07/03/454230703.db2.gz FKQLTXLKHRPMII-MISYRCLQSA-N 1 1 349.515 3.073 40 0 EGABMO CCOC[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2c1cnn2C ZINC000096044619 454268018 /nfs/dbraw/zinc/26/80/18/454268018.db2.gz ORLYRTBSKAEVIZ-CQSZACIVSA-N 1 1 349.862 3.088 40 0 EGABMO CCOC[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2c1cnn2C ZINC000096044619 454268023 /nfs/dbraw/zinc/26/80/23/454268023.db2.gz ORLYRTBSKAEVIZ-CQSZACIVSA-N 1 1 349.862 3.088 40 0 EGABMO O=C(c1cccs1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096046963 454270014 /nfs/dbraw/zinc/27/00/14/454270014.db2.gz YSHHDNCVYCXYSV-IBGZPJMESA-N 1 1 341.480 3.271 40 0 EGABMO COc1ccc(CN2CC3(C2)CC[N@@H+](Cc2ccsc2)C3)cc1 ZINC000096046487 454270415 /nfs/dbraw/zinc/27/04/15/454270415.db2.gz COKRPUXYQCOQIE-UHFFFAOYSA-N 1 1 328.481 3.465 40 0 EGABMO c1cc(C[N@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cs1 ZINC000096048243 454271499 /nfs/dbraw/zinc/27/14/99/454271499.db2.gz RYGMJMVSWIKWKK-ROUUACIJSA-N 1 1 330.453 3.346 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)co1 ZINC000096057063 454274022 /nfs/dbraw/zinc/27/40/22/454274022.db2.gz DLQBAGIQYTWPDK-MJGOQNOKSA-N 1 1 328.412 3.125 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)co1 ZINC000096057066 454274226 /nfs/dbraw/zinc/27/42/26/454274226.db2.gz DLQBAGIQYTWPDK-PKOBYXMFSA-N 1 1 328.412 3.125 40 0 EGABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000072227924 454276435 /nfs/dbraw/zinc/27/64/35/454276435.db2.gz MZOHOFIWGRDEFC-HUUCEWRRSA-N 1 1 337.206 3.417 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2cccs2)CC[C@@]12CC[C@H](C(=O)N1CCCC1)O2 ZINC000096061310 454277062 /nfs/dbraw/zinc/27/70/62/454277062.db2.gz VLRRGWVMGZTWDZ-SUMDDJOVSA-N 1 1 348.512 3.130 40 0 EGABMO O=C(c1ccc2[nH]ccc2c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1ccccn1 ZINC000096064023 454277739 /nfs/dbraw/zinc/27/77/39/454277739.db2.gz CAGXYVYNIDQWIP-VQTJNVASSA-N 1 1 346.434 3.052 40 0 EGABMO c1cc(C[N@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cs1 ZINC000096065708 454277864 /nfs/dbraw/zinc/27/78/64/454277864.db2.gz AKALTYJEWUODLN-BZSNNMDCSA-N 1 1 330.453 3.092 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cs1 ZINC000096065708 454277867 /nfs/dbraw/zinc/27/78/67/454277867.db2.gz AKALTYJEWUODLN-BZSNNMDCSA-N 1 1 330.453 3.092 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)co1 ZINC000096065135 454278038 /nfs/dbraw/zinc/27/80/38/454278038.db2.gz LWRLQBVZLISGFY-WOJBJXKFSA-N 1 1 342.439 3.263 40 0 EGABMO c1csc(C[N@@H+]2CC[C@@]3(C2)COCCN(Cc2ccoc2)C3)c1 ZINC000096087617 454280069 /nfs/dbraw/zinc/28/00/69/454280069.db2.gz QKQRLVGGYGBEPI-SFHVURJKSA-N 1 1 332.469 3.066 40 0 EGABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3cccnc3)C[C@@H]21 ZINC000096100369 454282845 /nfs/dbraw/zinc/28/28/45/454282845.db2.gz XUBGLXFZNBXZMJ-UFYCRDLUSA-N 1 1 335.451 3.332 40 0 EGABMO Cc1oncc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccs1)C2 ZINC000096158014 454293889 /nfs/dbraw/zinc/29/38/89/454293889.db2.gz GKZSAHUYEUOXDK-SFHVURJKSA-N 1 1 345.468 3.173 40 0 EGABMO CCc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3Cc2ccncc2)o1 ZINC000096186394 454299884 /nfs/dbraw/zinc/29/98/84/454299884.db2.gz PCBKQUHZFKVKDV-OALUTQOASA-N 1 1 339.439 3.003 40 0 EGABMO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](Cc1nccs1)CC2 ZINC000096199641 454302854 /nfs/dbraw/zinc/30/28/54/454302854.db2.gz QSUDMBSCWBGAGH-MRXNPFEDSA-N 1 1 341.480 3.124 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)s1 ZINC000096239146 454309927 /nfs/dbraw/zinc/30/99/27/454309927.db2.gz KOOAVHGAMYWYIA-GOSISDBHSA-N 1 1 327.453 3.081 40 0 EGABMO c1cc(C[N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cs1 ZINC000096250034 454312072 /nfs/dbraw/zinc/31/20/72/454312072.db2.gz ZJPAPYSHJOXXQW-GBESFXJTSA-N 1 1 344.480 3.339 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cs1 ZINC000096250034 454312073 /nfs/dbraw/zinc/31/20/73/454312073.db2.gz ZJPAPYSHJOXXQW-GBESFXJTSA-N 1 1 344.480 3.339 40 0 EGABMO CCN(C)c1ccccc1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000096421969 454336257 /nfs/dbraw/zinc/33/62/57/454336257.db2.gz XQGYULIXHHVNID-LZLYRXPVSA-N 1 1 342.487 3.091 40 0 EGABMO C[C@H](c1ccco1)N(C)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096427124 454339923 /nfs/dbraw/zinc/33/99/23/454339923.db2.gz SVRGBMDXUZJOFI-SJLPKXTDSA-N 1 1 342.439 3.090 40 0 EGABMO C[C@H](c1ccco1)N(C)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096427124 454339930 /nfs/dbraw/zinc/33/99/30/454339930.db2.gz SVRGBMDXUZJOFI-SJLPKXTDSA-N 1 1 342.439 3.090 40 0 EGABMO COc1ccsc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000096432970 454343459 /nfs/dbraw/zinc/34/34/59/454343459.db2.gz FKEPDRSEXPUFSG-MRXNPFEDSA-N 1 1 344.480 3.351 40 0 EGABMO Cc1cnc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000096433761 454344595 /nfs/dbraw/zinc/34/45/95/454344595.db2.gz MAYCGGIKSWPQJE-MRXNPFEDSA-N 1 1 344.484 3.437 40 0 EGABMO CSc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000096435401 454346890 /nfs/dbraw/zinc/34/68/90/454346890.db2.gz WRJISHMSJNQJDR-GFCCVEGCSA-N 1 1 325.453 3.353 40 0 EGABMO C[N@@H+](Cc1csc(-c2ccccn2)n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000096443453 454352041 /nfs/dbraw/zinc/35/20/41/454352041.db2.gz LMHLJPDKPLJGFO-IMJJTQAJSA-N 1 1 329.469 3.450 40 0 EGABMO Cc1ccccc1C(=O)NC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000096453998 454357246 /nfs/dbraw/zinc/35/72/46/454357246.db2.gz ZKSIPYRHYOGVDP-UHFFFAOYSA-N 1 1 329.831 3.442 40 0 EGABMO CC(C)[N@@H+](C)CC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000096473946 454361788 /nfs/dbraw/zinc/36/17/88/454361788.db2.gz RLDSYULGAVUMOI-GOSISDBHSA-N 1 1 331.847 3.281 40 0 EGABMO CC(C)[N@@H+](C)CC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000096473944 454362106 /nfs/dbraw/zinc/36/21/06/454362106.db2.gz RLDSYULGAVUMOI-SFHVURJKSA-N 1 1 331.847 3.281 40 0 EGABMO CCOC(=O)c1c[nH+]c2cc(OC)c(OC)cc2c1N(CC)CC ZINC000062718704 454386034 /nfs/dbraw/zinc/38/60/34/454386034.db2.gz PXSMMGRKUGGKSL-UHFFFAOYSA-N 1 1 332.400 3.275 40 0 EGABMO Cc1ccc(C[C@H](C)NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000176278971 454721988 /nfs/dbraw/zinc/72/19/88/454721988.db2.gz QIIPJSGFEZXPSQ-XJKSGUPXSA-N 1 1 346.500 3.367 40 0 EGABMO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H](C)c1ncc(C(C)(C)C)o1)CC2 ZINC000110657188 454850496 /nfs/dbraw/zinc/85/04/96/454850496.db2.gz LSVFZPRTOAOCCZ-QLFBSQMISA-N 1 1 336.476 3.285 40 0 EGABMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Nc1c(F)cc(F)cc1Cl ZINC000245289788 455281576 /nfs/dbraw/zinc/28/15/76/455281576.db2.gz FDJVTCHRMWLIHS-TVQRCGJNSA-N 1 1 331.794 3.422 40 0 EGABMO CO[C@@H](C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 ZINC000252488336 455810816 /nfs/dbraw/zinc/81/08/16/455810816.db2.gz IPIYFOPSGGSSEO-WMZOPIPTSA-N 1 1 332.488 3.248 40 0 EGABMO Brc1ccc([C@H]2CCC[N@H+]2CCC2OCCO2)s1 ZINC000252490922 455812066 /nfs/dbraw/zinc/81/20/66/455812066.db2.gz LEXYFNQEKJYDTK-SNVBAGLBSA-N 1 1 332.263 3.411 40 0 EGABMO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194331126 455828201 /nfs/dbraw/zinc/82/82/01/455828201.db2.gz PMDKYLDYCADXOA-LBPRGKRZSA-N 1 1 335.429 3.114 40 0 EGABMO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194331126 455828206 /nfs/dbraw/zinc/82/82/06/455828206.db2.gz PMDKYLDYCADXOA-LBPRGKRZSA-N 1 1 335.429 3.114 40 0 EGABMO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000253418506 455842925 /nfs/dbraw/zinc/84/29/25/455842925.db2.gz SISXWYHCAQGLEF-BTHPGYMESA-N 1 1 344.499 3.097 40 0 EGABMO CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000257276426 455879883 /nfs/dbraw/zinc/87/98/83/455879883.db2.gz NTSIIHZMJONEDW-GFCCVEGCSA-N 1 1 344.484 3.125 40 0 EGABMO CC(C)Nc1n[nH]c2nc(C3CC[NH2+]CC3)cc(C(F)(F)F)c12 ZINC000257287107 455883223 /nfs/dbraw/zinc/88/32/23/455883223.db2.gz POOCDWWYGSLBSY-UHFFFAOYSA-N 1 1 327.354 3.264 40 0 EGABMO Cn1cc(CCC(=O)N2CC[C@@H]3[C@H]2CCCC[N@H+]3C)c2ccccc21 ZINC000257307402 455887297 /nfs/dbraw/zinc/88/72/97/455887297.db2.gz SYMQVJWWTSQSJE-WOJBJXKFSA-N 1 1 339.483 3.196 40 0 EGABMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)c2)cn1 ZINC000257318477 455890110 /nfs/dbraw/zinc/89/01/10/455890110.db2.gz VOCFCPSNEPSQEF-QGZVFWFLSA-N 1 1 334.427 3.291 40 0 EGABMO Cc1cccc(N2CCC[C@H](NC(=O)c3c(F)cccc3F)C2)[nH+]1 ZINC000257327634 455893198 /nfs/dbraw/zinc/89/31/98/455893198.db2.gz XCDGBLWMDRKPHU-ZDUSSCGKSA-N 1 1 331.366 3.067 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ncccc1OC ZINC000225585223 456094714 /nfs/dbraw/zinc/09/47/14/456094714.db2.gz SLVJZSDLIZYVEG-CQSZACIVSA-N 1 1 336.505 3.031 40 0 EGABMO CSc1ccccc1C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000272901228 456106320 /nfs/dbraw/zinc/10/63/20/456106320.db2.gz JQZFJFIIPFYDMM-LBPRGKRZSA-N 1 1 332.391 3.004 40 0 EGABMO CSc1ccccc1C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000272901228 456106321 /nfs/dbraw/zinc/10/63/21/456106321.db2.gz JQZFJFIIPFYDMM-LBPRGKRZSA-N 1 1 332.391 3.004 40 0 EGABMO CC[C@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2c(C)noc2C)CC1 ZINC000585099894 459822836 /nfs/dbraw/zinc/82/28/36/459822836.db2.gz VBTZSIZKKYLBQH-IFXJQAMLSA-N 1 1 333.476 3.437 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3CCF)CC2)cc1 ZINC000585100809 459822916 /nfs/dbraw/zinc/82/29/16/459822916.db2.gz XHFGVTIGMBYCKZ-LJQANCHMSA-N 1 1 334.435 3.012 40 0 EGABMO Cc1nc(CN2C(=O)CC[C@]23CCC[N@@H+](CC2CC2)CC3)cs1 ZINC000585100591 459822947 /nfs/dbraw/zinc/82/29/47/459822947.db2.gz OWCQZGSVVMNAIV-SFHVURJKSA-N 1 1 333.501 3.209 40 0 EGABMO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)o1 ZINC000585103944 459824293 /nfs/dbraw/zinc/82/42/93/459824293.db2.gz DYVHICJNJMNQQH-QGZVFWFLSA-N 1 1 330.453 3.260 40 0 EGABMO Cc1ccc(C)c(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC(C)C)C3)C2)c1 ZINC000585103940 459824315 /nfs/dbraw/zinc/82/43/15/459824315.db2.gz HKKWHYZTWIVVSY-NRFANRHFSA-N 1 1 344.499 3.010 40 0 EGABMO CCCC(CCC)[N@H+]1CCOC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585287845 459833404 /nfs/dbraw/zinc/83/34/04/459833404.db2.gz TUTMADXBZORMRE-IBGZPJMESA-N 1 1 339.451 3.237 40 0 EGABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000257209138 534913148 /nfs/dbraw/zinc/91/31/48/534913148.db2.gz BPEJPUHXXRWYIM-CQSZACIVSA-N 1 1 332.473 3.259 40 0 EGABMO CC[C@H]1CN(CCn2cccn2)CC[N@H+]1C/C(C)=C/c1ccccc1 ZINC000678250400 549444605 /nfs/dbraw/zinc/44/46/05/549444605.db2.gz BMRRZDFLHCCNHB-HCUHUEOSSA-N 1 1 338.499 3.383 40 0 EGABMO CC[C@H]1C[N@H+](CCn2cccn2)CCN1C/C(C)=C/c1ccccc1 ZINC000678250400 549444609 /nfs/dbraw/zinc/44/46/09/549444609.db2.gz BMRRZDFLHCCNHB-HCUHUEOSSA-N 1 1 338.499 3.383 40 0 EGABMO CC[C@H]1C[N@@H+](CCn2cccn2)CCN1C/C(C)=C/c1ccccc1 ZINC000678250400 549444612 /nfs/dbraw/zinc/44/46/12/549444612.db2.gz BMRRZDFLHCCNHB-HCUHUEOSSA-N 1 1 338.499 3.383 40 0 EGABMO COc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000038848897 213228629 /nfs/dbraw/zinc/22/86/29/213228629.db2.gz QJGNIULUNKSQAM-UHFFFAOYSA-N 1 1 335.407 3.178 40 0 EGABMO CCCc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccc(C)cc3)CC2)[nH]n1 ZINC000036741151 213116283 /nfs/dbraw/zinc/11/62/83/213116283.db2.gz PFXIOPMLBVZWAN-MRXNPFEDSA-N 1 1 340.471 3.190 40 0 EGABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1OCc1ccccn1 ZINC000072324655 216151651 /nfs/dbraw/zinc/15/16/51/216151651.db2.gz PSALXLDQUOSPMJ-XLIONFOSSA-N 1 1 337.467 3.329 40 0 EGABMO COc1ccc(CN(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)ccn2)cc1 ZINC000072369351 216176198 /nfs/dbraw/zinc/17/61/98/216176198.db2.gz TVHDQKLPHQGTAU-LJQANCHMSA-N 1 1 339.439 3.129 40 0 EGABMO Clc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000072393829 216193136 /nfs/dbraw/zinc/19/31/36/216193136.db2.gz QVMLEOXPOLELDG-CYBMUJFWSA-N 1 1 327.819 3.386 40 0 EGABMO Cc1cccc(NC[C@@H]2CC[N@@H+](CC3CCC4(CC3)OCCO4)C2)n1 ZINC000190242553 238326803 /nfs/dbraw/zinc/32/68/03/238326803.db2.gz LEEVFKWXUKBRLM-SFHVURJKSA-N 1 1 345.487 3.057 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC(C3CC3)C3CC3)cc2)C[C@H](C)O1 ZINC000025093689 212459269 /nfs/dbraw/zinc/45/92/69/212459269.db2.gz LLVAVKZDBOZQLL-GASCZTMLSA-N 1 1 342.483 3.214 40 0 EGABMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC(C3CC3)C3CC3)cc2)C[C@H](C)O1 ZINC000025093689 212459272 /nfs/dbraw/zinc/45/92/72/212459272.db2.gz LLVAVKZDBOZQLL-GASCZTMLSA-N 1 1 342.483 3.214 40 0 EGABMO CCN1CC[NH+](CCC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000021486250 212226184 /nfs/dbraw/zinc/22/61/84/212226184.db2.gz MXDPKQDJWVJQNG-UHFFFAOYSA-N 1 1 337.467 3.320 40 0 EGABMO CC(C)OCCCNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020488775 212138328 /nfs/dbraw/zinc/13/83/28/212138328.db2.gz ABZQQLPTRNRLBA-QGZVFWFLSA-N 1 1 332.488 3.463 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(CNC(C)=O)n2)cc1 ZINC000257210737 244149049 /nfs/dbraw/zinc/14/90/49/244149049.db2.gz BVXUKQRVLZZSNM-HXUWFJFHSA-N 1 1 339.439 3.063 40 0 EGABMO Cc1cccc(N2CCC[C@H](NC(=O)CCc3cccs3)C2)[nH+]1 ZINC000257248297 244263806 /nfs/dbraw/zinc/26/38/06/244263806.db2.gz JDAMBPSZFHBIRC-HNNXBMFYSA-N 1 1 329.469 3.169 40 0 EGABMO Cc1cc2nccc([C@]3(C)CCC[N@@H+]3Cc3scnc3C)n2n1 ZINC000257253816 244275617 /nfs/dbraw/zinc/27/56/17/244275617.db2.gz KAJPVWRPSNXOPY-KRWDZBQOSA-N 1 1 327.457 3.314 40 0 EGABMO Cc1cc2nccc([C@]3(C)CCC[N@H+]3Cc3scnc3C)n2n1 ZINC000257253816 244275621 /nfs/dbraw/zinc/27/56/21/244275621.db2.gz KAJPVWRPSNXOPY-KRWDZBQOSA-N 1 1 327.457 3.314 40 0 EGABMO Cc1cc2nccc([C@@]3(C)CCC[N@@H+]3Cc3scnc3C)n2n1 ZINC000257253817 244276610 /nfs/dbraw/zinc/27/66/10/244276610.db2.gz KAJPVWRPSNXOPY-QGZVFWFLSA-N 1 1 327.457 3.314 40 0 EGABMO Cc1cc2nccc([C@@]3(C)CCC[N@H+]3Cc3scnc3C)n2n1 ZINC000257253817 244276618 /nfs/dbraw/zinc/27/66/18/244276618.db2.gz KAJPVWRPSNXOPY-QGZVFWFLSA-N 1 1 327.457 3.314 40 0 EGABMO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C)s2)ccn1 ZINC000257268390 244366252 /nfs/dbraw/zinc/36/62/52/244366252.db2.gz MLLYUNGGVTVMKP-SFHVURJKSA-N 1 1 329.469 3.425 40 0 EGABMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12Cc1ccccc1C2=O ZINC000019530470 212039174 /nfs/dbraw/zinc/03/91/74/212039174.db2.gz WWALFQLIWFZCOO-KNQAVFIVSA-N 1 1 349.430 3.107 40 0 EGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1nc2ccccc2[nH]1)Cc1ccccn1 ZINC000019527145 212037498 /nfs/dbraw/zinc/03/74/98/212037498.db2.gz WPFZJUAERDKAKT-GOSISDBHSA-N 1 1 349.482 3.444 40 0 EGABMO C[C@H]1C[C@H]1C(=O)N(C)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019462662 212030928 /nfs/dbraw/zinc/03/09/28/212030928.db2.gz XYXLQFRGOUIUPI-JJXOGSGTSA-N 1 1 342.483 3.307 40 0 EGABMO C[C@@H](C[N@@H+]1CCc2nc([C@@H]3CCCCN3)ncc2C1)c1ccccc1 ZINC000019456385 212029263 /nfs/dbraw/zinc/02/92/63/212029263.db2.gz QFPMVKDOFNKWCF-JXFKEZNVSA-N 1 1 336.483 3.453 40 0 EGABMO C[C@@H](C[N@H+]1CCc2nc([C@@H]3CCCCN3)ncc2C1)c1ccccc1 ZINC000019456385 212029265 /nfs/dbraw/zinc/02/92/65/212029265.db2.gz QFPMVKDOFNKWCF-JXFKEZNVSA-N 1 1 336.483 3.453 40 0 EGABMO O=C(NC1CC1)c1cc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)no1 ZINC000019293830 212012885 /nfs/dbraw/zinc/01/28/85/212012885.db2.gz OJDCRMUWSFDMJO-CQSZACIVSA-N 1 1 343.402 3.086 40 0 EGABMO Cn1nc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)c2nccnc21 ZINC000019289381 212011610 /nfs/dbraw/zinc/01/16/10/212011610.db2.gz BHEPNINYFXWGKC-CYBMUJFWSA-N 1 1 343.381 3.021 40 0 EGABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)cc(=O)[nH]1 ZINC000019285220 212010823 /nfs/dbraw/zinc/01/08/23/212010823.db2.gz NPLGFLKLKSMENZ-GFCCVEGCSA-N 1 1 338.238 3.375 40 0 EGABMO Cc1nc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)cc(=O)[nH]1 ZINC000019285260 212009871 /nfs/dbraw/zinc/00/98/71/212009871.db2.gz AGWBORIBHBBASL-NSHDSACASA-N 1 1 338.238 3.375 40 0 EGABMO c1coc(-c2nc(C[NH2+]Cc3ccc(-n4cncn4)cc3)cs2)c1 ZINC000078552842 217074247 /nfs/dbraw/zinc/07/42/47/217074247.db2.gz DZMIYDOMDQORJL-UHFFFAOYSA-N 1 1 337.408 3.274 40 0 EGABMO CC1(C(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000079355806 217214170 /nfs/dbraw/zinc/21/41/70/217214170.db2.gz KNHNASAWIQZNQG-GOSISDBHSA-N 1 1 331.456 3.259 40 0 EGABMO COc1ccc([C@H]2[C@H](CNC(=O)c3ccoc3)CCC[N@H+]2C)cc1 ZINC000079358333 217215365 /nfs/dbraw/zinc/21/53/65/217215365.db2.gz KHUKBMRDWWBWLO-YJBOKZPZSA-N 1 1 328.412 3.101 40 0 EGABMO C=Cn1cc(C[N@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)c(C)n1 ZINC000012188830 211315714 /nfs/dbraw/zinc/31/57/14/211315714.db2.gz PTZNOQQLVRKPJB-IBGZPJMESA-N 1 1 329.419 3.305 40 0 EGABMO Cc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1-c1ncco1 ZINC000092929977 218181507 /nfs/dbraw/zinc/18/15/07/218181507.db2.gz XWBXTFFWTFBVKN-GOEBONIOSA-N 1 1 340.427 3.350 40 0 EGABMO COc1ccc(OC(F)F)c(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000093644344 218238525 /nfs/dbraw/zinc/23/85/25/218238525.db2.gz BLHJUEGOKIKWBM-GXTWGEPZSA-N 1 1 328.403 3.211 40 0 EGABMO COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000097234427 323215197 /nfs/dbraw/zinc/21/51/97/323215197.db2.gz GZCPEZKKRYGDDM-LZWOXQAQSA-N 1 1 349.450 3.021 40 0 EGABMO O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CC[C@@H](Nc3ccccc3)C2)C1 ZINC000239762151 455262798 /nfs/dbraw/zinc/26/27/98/455262798.db2.gz CKYQPZIJXBUFOO-WIYYLYMNSA-N 1 1 349.478 3.335 40 0 EGABMO CC[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C(C)=O)cc1 ZINC000001475570 452668591 /nfs/dbraw/zinc/66/85/91/452668591.db2.gz KXAMIVMIZWCHGN-IBGZPJMESA-N 1 1 327.424 3.151 40 0 EGABMO COc1cc2cccnc2c(NC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000001656148 452672309 /nfs/dbraw/zinc/67/23/09/452672309.db2.gz HEMGDCRRUCBIJT-HLLBOEOZSA-N 1 1 343.471 3.279 40 0 EGABMO CCOc1ccccc1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](C)O ZINC000013991835 453496770 /nfs/dbraw/zinc/49/67/70/453496770.db2.gz PSWAWCCJJQIRMK-HNNXBMFYSA-N 1 1 343.423 3.197 40 0 EGABMO Cc1cccc(C)c1OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020512002 453666307 /nfs/dbraw/zinc/66/63/07/453666307.db2.gz SHZPXVXIUOZIFE-UHFFFAOYSA-N 1 1 338.451 3.027 40 0 EGABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc2c(s1)CCC2 ZINC000032400195 453870225 /nfs/dbraw/zinc/87/02/25/453870225.db2.gz JDIBEMQHMHXSFQ-UHFFFAOYSA-N 1 1 340.492 3.415 40 0 EGABMO CC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000037201865 453934429 /nfs/dbraw/zinc/93/44/29/453934429.db2.gz ZHIFIHIACTXESU-GGPKGHCWSA-N 1 1 331.456 3.284 40 0 EGABMO COC(=O)c1sccc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000088510478 454109604 /nfs/dbraw/zinc/10/96/04/454109604.db2.gz JFPCVCOPTYSNLR-UHFFFAOYSA-N 1 1 349.427 3.469 40 0 EGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1cc(C)cc(C)c1 ZINC000044948685 454128828 /nfs/dbraw/zinc/12/88/28/454128828.db2.gz VYEMIYTVOBPOKA-UHFFFAOYSA-N 1 1 349.434 3.493 40 0 EGABMO COc1ccc([C@H]([NH3+])c2nc(-c3ccccc3Cl)n[nH]2)cc1OC ZINC000095533854 454231042 /nfs/dbraw/zinc/23/10/42/454231042.db2.gz QTQMZGNYBLVGDJ-HNNXBMFYSA-N 1 1 344.802 3.190 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)co1 ZINC000096039978 454266394 /nfs/dbraw/zinc/26/63/94/454266394.db2.gz OAFDTTLQWVUFQE-OALUTQOASA-N 1 1 328.412 3.125 40 0 EGABMO Fc1ccccc1C[N@H+]1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096042522 454268599 /nfs/dbraw/zinc/26/85/99/454268599.db2.gz FXMBIHLTOJHKJX-AQNXPRMDSA-N 1 1 342.414 3.169 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)o1 ZINC000096046947 454270386 /nfs/dbraw/zinc/27/03/86/454270386.db2.gz GQLFXZFTIZQMRY-FQEVSTJZSA-N 1 1 325.456 3.471 40 0 EGABMO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)o1 ZINC000096046947 454270390 /nfs/dbraw/zinc/27/03/90/454270390.db2.gz GQLFXZFTIZQMRY-FQEVSTJZSA-N 1 1 325.456 3.471 40 0 EGABMO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)o1 ZINC000096046947 454270392 /nfs/dbraw/zinc/27/03/92/454270392.db2.gz GQLFXZFTIZQMRY-FQEVSTJZSA-N 1 1 325.456 3.471 40 0 EGABMO Fc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1 ZINC000096048253 454270894 /nfs/dbraw/zinc/27/08/94/454270894.db2.gz MYFJIVPLFJRIFS-VQTJNVASSA-N 1 1 342.414 3.423 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)cc1 ZINC000096054188 454273952 /nfs/dbraw/zinc/27/39/52/454273952.db2.gz CMLKQAWWZSHLHC-AEFFLSMTSA-N 1 1 340.423 3.025 40 0 EGABMO Fc1ccc(-c2ncnc3c2CC[N@@H+](Cc2cccnc2)CC3)cc1 ZINC000096058705 454275978 /nfs/dbraw/zinc/27/59/78/454275978.db2.gz MFSMFCSHOZOJKC-UHFFFAOYSA-N 1 1 334.398 3.279 40 0 EGABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1ccccc1F)CC2 ZINC000096078392 454280577 /nfs/dbraw/zinc/28/05/77/454280577.db2.gz OKYASZRXDAMKLS-MRXNPFEDSA-N 1 1 348.462 3.177 40 0 EGABMO Cc1oncc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccs1)C2 ZINC000096158015 454294033 /nfs/dbraw/zinc/29/40/33/454294033.db2.gz GKZSAHUYEUOXDK-GOSISDBHSA-N 1 1 345.468 3.173 40 0 EGABMO O=C1CCCN1[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccccc3Cl)C2)C1 ZINC000096208675 454305015 /nfs/dbraw/zinc/30/50/15/454305015.db2.gz HNKAWHGDUCPJLO-VQIMIIECSA-N 1 1 348.874 3.086 40 0 EGABMO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CC(C)C)C3)C2)n1 ZINC000096216244 454305950 /nfs/dbraw/zinc/30/59/50/454305950.db2.gz RYYBLPLHAOSELH-FQEVSTJZSA-N 1 1 329.488 3.251 40 0 EGABMO C[N@H+](Cc1cccnc1)C[C@H]1CC12CCN(C(=O)c1ccco1)CC2 ZINC000096238325 454310378 /nfs/dbraw/zinc/31/03/78/454310378.db2.gz OLJWJFCYEDWVGG-QGZVFWFLSA-N 1 1 339.439 3.049 40 0 EGABMO c1csc(C[N@@H+]2CC[C@H]3OCCN(Cc4cccnc4)[C@H]3CC2)c1 ZINC000096249376 454312055 /nfs/dbraw/zinc/31/20/55/454312055.db2.gz GKRSPYBYFOQTEJ-RBUKOAKNSA-N 1 1 343.496 3.009 40 0 EGABMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000096414279 454331323 /nfs/dbraw/zinc/33/13/23/454331323.db2.gz DXCYJKXBVNVWOV-OKILXGFUSA-N 1 1 347.484 3.040 40 0 EGABMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1NCc1cccc(F)c1F ZINC000096482847 454365583 /nfs/dbraw/zinc/36/55/83/454365583.db2.gz SDIRDSLNOHEGFH-KRWDZBQOSA-N 1 1 345.393 3.027 40 0 EGABMO O=C(Nc1ccccc1OCCn1ccnc1)c1c(O)cccc1F ZINC000121011955 454377040 /nfs/dbraw/zinc/37/70/40/454377040.db2.gz GLXMOIIFOUYIGX-UHFFFAOYSA-N 1 1 341.342 3.059 40 0 EGABMO O=C(Nc1ccccc1)N1CC[C@]2(CCC[N@H+]2Cc2ccccn2)C1 ZINC000063526935 454422074 /nfs/dbraw/zinc/42/20/74/454422074.db2.gz HHUZFMPKIZFUOH-HXUWFJFHSA-N 1 1 336.439 3.354 40 0 EGABMO Fc1ccc(OC[C@@H]2CCCO2)c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000097232137 454427244 /nfs/dbraw/zinc/42/72/44/454427244.db2.gz IFUSBAMEZKLWQD-ZACQAIPSSA-N 1 1 334.435 3.422 40 0 EGABMO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097457 454687262 /nfs/dbraw/zinc/68/72/62/454687262.db2.gz CEMMMONWLYPBFP-CABCVRRESA-N 1 1 347.427 3.076 40 0 EGABMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097457 454687265 /nfs/dbraw/zinc/68/72/65/454687265.db2.gz CEMMMONWLYPBFP-CABCVRRESA-N 1 1 347.427 3.076 40 0 EGABMO Cc1cccnc1C[N@H+]1CCC2(CC(NC(=O)c3ccsc3)C2)C1 ZINC000108531781 454801216 /nfs/dbraw/zinc/80/12/16/454801216.db2.gz YROMGXHRGQWZMA-UHFFFAOYSA-N 1 1 341.480 3.236 40 0 EGABMO N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000141184104 454827164 /nfs/dbraw/zinc/82/71/64/454827164.db2.gz JORFOQFEPOWZMD-SJORKVTESA-N 1 1 331.257 3.376 40 0 EGABMO COc1ccc([C@@H](CO)[N@@H+](C)C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000110640917 454850538 /nfs/dbraw/zinc/85/05/38/454850538.db2.gz YVOCTSKKMBDQMR-MSOLQXFVSA-N 1 1 335.831 3.047 40 0 EGABMO C[C@H](CC(=O)c1ccco1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000155353632 454990694 /nfs/dbraw/zinc/99/06/94/454990694.db2.gz TUJPXSYSSWZVQH-HUUCEWRRSA-N 1 1 332.444 3.012 40 0 EGABMO CC(=O)N1CC[NH+](Cc2cccc(NCc3ccsc3)c2)CC1 ZINC000189518034 455212337 /nfs/dbraw/zinc/21/23/37/455212337.db2.gz YTBYWXSCUHQZET-UHFFFAOYSA-N 1 1 329.469 3.024 40 0 EGABMO c1csc(C[N@H+]2CC[C@@H]3[C@H](CC2)OCCN3Cc2cccnc2)c1 ZINC000247820986 455647618 /nfs/dbraw/zinc/64/76/18/455647618.db2.gz GKRSPYBYFOQTEJ-MOPGFXCFSA-N 1 1 343.496 3.009 40 0 EGABMO OCC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000248763058 455729398 /nfs/dbraw/zinc/72/93/98/455729398.db2.gz DWCYDJFNLYTUQD-IYWMVGAKSA-N 1 1 340.467 3.488 40 0 EGABMO Cc1cc(CC[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)cc(C)c1O ZINC000252536802 455820643 /nfs/dbraw/zinc/82/06/43/455820643.db2.gz JPDFASFMXVBQCQ-YSIASYRMSA-N 1 1 346.515 3.031 40 0 EGABMO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000253392413 455838560 /nfs/dbraw/zinc/83/85/60/455838560.db2.gz CHKFCAQBEWVRHP-KBPBESRZSA-N 1 1 334.489 3.183 40 0 EGABMO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000253392413 455838565 /nfs/dbraw/zinc/83/85/65/455838565.db2.gz CHKFCAQBEWVRHP-KBPBESRZSA-N 1 1 334.489 3.183 40 0 EGABMO C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000253499646 455850954 /nfs/dbraw/zinc/85/09/54/455850954.db2.gz DHLGTTUFAHBXDS-USGDIRTKSA-N 1 1 345.527 3.357 40 0 EGABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257228445 455880434 /nfs/dbraw/zinc/88/04/34/455880434.db2.gz FTWPIPXVXMWAMZ-ZDUSSCGKSA-N 1 1 325.441 3.226 40 0 EGABMO CNc1nccc([C@@H]2CCCC[N@@H+]2Cc2cccc(OC)c2OC)n1 ZINC000257281451 455881657 /nfs/dbraw/zinc/88/16/57/455881657.db2.gz OPFOYCRAEWAMOT-INIZCTEOSA-N 1 1 342.443 3.263 40 0 EGABMO CNc1nccc([C@@H]2CCCC[N@H+]2Cc2cccc(OC)c2OC)n1 ZINC000257281451 455881658 /nfs/dbraw/zinc/88/16/58/455881658.db2.gz OPFOYCRAEWAMOT-INIZCTEOSA-N 1 1 342.443 3.263 40 0 EGABMO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@@H+](Cc3ccncc3)C2)ncn1 ZINC000257288687 455884256 /nfs/dbraw/zinc/88/42/56/455884256.db2.gz PVEIBDWQRQJGBS-KRWDZBQOSA-N 1 1 349.438 3.208 40 0 EGABMO Cc1nc(C[N@@H+]2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)cs1 ZINC000257294310 455884886 /nfs/dbraw/zinc/88/48/86/455884886.db2.gz QTNHCOGUISOAJN-HNNXBMFYSA-N 1 1 342.468 3.019 40 0 EGABMO Cc1nc(C[N@H+]2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)cs1 ZINC000257294310 455884891 /nfs/dbraw/zinc/88/48/91/455884891.db2.gz QTNHCOGUISOAJN-HNNXBMFYSA-N 1 1 342.468 3.019 40 0 EGABMO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)n1 ZINC000257294084 455885465 /nfs/dbraw/zinc/88/54/65/455885465.db2.gz QSIXSAHRKUIHID-LJQANCHMSA-N 1 1 345.393 3.333 40 0 EGABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)n1 ZINC000257294084 455885468 /nfs/dbraw/zinc/88/54/68/455885468.db2.gz QSIXSAHRKUIHID-LJQANCHMSA-N 1 1 345.393 3.333 40 0 EGABMO Cc1cc(N)cc([C@H]2CN(Cc3ccnc4ccccc34)CCO2)[nH+]1 ZINC000257310185 455889441 /nfs/dbraw/zinc/88/94/41/455889441.db2.gz UEAXGLQZEMUGAL-HXUWFJFHSA-N 1 1 334.423 3.094 40 0 EGABMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)c2)cn1 ZINC000257318476 455890679 /nfs/dbraw/zinc/89/06/79/455890679.db2.gz VOCFCPSNEPSQEF-KRWDZBQOSA-N 1 1 334.427 3.291 40 0 EGABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](Cc2cccc(C)n2)C1 ZINC000257330412 455892935 /nfs/dbraw/zinc/89/29/35/455892935.db2.gz XOGXGVMHJSHDTE-QGZVFWFLSA-N 1 1 340.471 3.020 40 0 EGABMO COCCn1ccnc1[C@@H]1C[N@@H+](Cc2ccncc2)Cc2ccccc21 ZINC000306140569 456566734 /nfs/dbraw/zinc/56/67/34/456566734.db2.gz UXNIZJSYFLSBGO-HXUWFJFHSA-N 1 1 348.450 3.072 40 0 EGABMO COCCn1ccnc1[C@H]1C[N@@H+](Cc2ccncc2)Cc2ccccc21 ZINC000306140568 456567792 /nfs/dbraw/zinc/56/77/92/456567792.db2.gz UXNIZJSYFLSBGO-FQEVSTJZSA-N 1 1 348.450 3.072 40 0 EGABMO CC(C)n1nccc1C[N@H+]1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585279944 459832280 /nfs/dbraw/zinc/83/22/80/459832280.db2.gz UANSYPSLILMRDB-APWZRJJASA-N 1 1 331.435 3.029 40 0 EGABMO COCc1nc(C)cc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)n1 ZINC000574971331 459901457 /nfs/dbraw/zinc/90/14/57/459901457.db2.gz HPWCJZHVYICTBW-UHFFFAOYSA-N 1 1 337.427 3.173 40 0 EGABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC(Cc2ccncc2)CC1 ZINC000257262919 534913055 /nfs/dbraw/zinc/91/30/55/534913055.db2.gz LNQIYVPPQHWYAX-UHFFFAOYSA-N 1 1 340.471 3.273 40 0 EGABMO C[NH+](C)Cc1ccc(NC(=O)c2ccncc2)cc1Br ZINC000225526252 536015647 /nfs/dbraw/zinc/01/56/47/536015647.db2.gz NLWHORUYKAXLAH-UHFFFAOYSA-N 1 1 334.217 3.158 40 0 EGABMO CN(c1ccncn1)C1CC2(C1)CC[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000257220781 536300474 /nfs/dbraw/zinc/30/04/74/536300474.db2.gz DMCIDEVMMVKABI-UHFFFAOYSA-N 1 1 347.466 3.449 40 0 EGABMO CCN(CC)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c(O)c1 ZINC000090686066 546660378 /nfs/dbraw/zinc/66/03/78/546660378.db2.gz YROCVBBXKXSISH-QAPCUYQASA-N 1 1 347.503 3.041 40 0 EGABMO Fc1ccc(C[N@@H+]2C[C@@H]3c4ncc(-c5cccnc5)n4C[C@@H]3C2)cc1 ZINC000306129617 547459783 /nfs/dbraw/zinc/45/97/83/547459783.db2.gz IIGCIKXSOAARGS-WMZOPIPTSA-N 1 1 334.398 3.313 40 0 EGABMO c1csc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)n1 ZINC000306131265 547460683 /nfs/dbraw/zinc/46/06/83/547460683.db2.gz JZLDWGZMLAGMMY-IRXDYDNUSA-N 1 1 329.469 3.150 40 0 EGABMO c1csc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)n1 ZINC000306131265 547460688 /nfs/dbraw/zinc/46/06/88/547460688.db2.gz JZLDWGZMLAGMMY-IRXDYDNUSA-N 1 1 329.469 3.150 40 0 EGABMO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@@H+](C)CC3CC3)CC2)nn1C ZINC000100687611 219104288 /nfs/dbraw/zinc/10/42/88/219104288.db2.gz KGBFWTIIBYVIQU-HDICACEKSA-N 1 1 346.519 3.014 40 0 EGABMO O=C(Cc1cccc(Cl)c1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000067809642 215218194 /nfs/dbraw/zinc/21/81/94/215218194.db2.gz HZNLCDXJWDHGAL-UHFFFAOYSA-N 1 1 342.870 3.447 40 0 EGABMO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000040159642 213276284 /nfs/dbraw/zinc/27/62/84/213276284.db2.gz LTJRGSLSFSRUNK-SWLSCSKDSA-N 1 1 336.819 3.119 40 0 EGABMO CC(C)CO[C@@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000040092187 213262180 /nfs/dbraw/zinc/26/21/80/213262180.db2.gz LZPRIFRVLDFWTR-BBRMVZONSA-N 1 1 326.868 3.120 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-n3ccnc3)C2)cc1 ZINC000072350512 216162009 /nfs/dbraw/zinc/16/20/09/216162009.db2.gz LXRWHWPFZBZOFZ-QGZVFWFLSA-N 1 1 349.438 3.051 40 0 EGABMO COCC(=O)N1CCC[C@@H]1c1cc(Nc2ncccc2C)cc(C)[nH+]1 ZINC000072372525 216178250 /nfs/dbraw/zinc/17/82/50/216178250.db2.gz YJYTWKCWMPSNFH-QGZVFWFLSA-N 1 1 340.427 3.147 40 0 EGABMO CC[C@H]1C[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CCS1 ZINC000072861794 216320079 /nfs/dbraw/zinc/32/00/79/216320079.db2.gz SGCJGFYIWPBSAY-HNNXBMFYSA-N 1 1 347.509 3.236 40 0 EGABMO CC[C@H]1C[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CCS1 ZINC000072861794 216320082 /nfs/dbraw/zinc/32/00/82/216320082.db2.gz SGCJGFYIWPBSAY-HNNXBMFYSA-N 1 1 347.509 3.236 40 0 EGABMO COc1cccc(CNCC[NH+](C)C)c1OCc1ccc(F)cc1 ZINC000022075327 212276296 /nfs/dbraw/zinc/27/62/96/212276296.db2.gz MZYBYQYOELFYBP-UHFFFAOYSA-N 1 1 332.419 3.065 40 0 EGABMO CN1CC[NH+](Cc2ccc3oc(-c4ccccc4F)nc3c2)CC1 ZINC000216789864 241212529 /nfs/dbraw/zinc/21/25/29/241212529.db2.gz QRGPIKYVQAZEAR-UHFFFAOYSA-N 1 1 325.387 3.381 40 0 EGABMO CC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)CCOc1cc(C)cc(C)c1 ZINC000022011646 212270031 /nfs/dbraw/zinc/27/00/31/212270031.db2.gz BECHAXQWLJXFSZ-QGZVFWFLSA-N 1 1 345.443 3.328 40 0 EGABMO CC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](C)CCOc1cc(C)cc(C)c1 ZINC000022011646 212270033 /nfs/dbraw/zinc/27/00/33/212270033.db2.gz BECHAXQWLJXFSZ-QGZVFWFLSA-N 1 1 345.443 3.328 40 0 EGABMO C[N@@H+](CCCNC(=O)COc1ccccc1Cl)Cc1ccccc1 ZINC000021939005 212265480 /nfs/dbraw/zinc/26/54/80/212265480.db2.gz QCMHZBUCCPSTBC-UHFFFAOYSA-N 1 1 346.858 3.357 40 0 EGABMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCCCO1 ZINC000225789445 242036339 /nfs/dbraw/zinc/03/63/39/242036339.db2.gz UVCDKMWIIXYECF-UHFFFAOYSA-N 1 1 343.427 3.149 40 0 EGABMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCCCO1 ZINC000225789445 242036342 /nfs/dbraw/zinc/03/63/42/242036342.db2.gz UVCDKMWIIXYECF-UHFFFAOYSA-N 1 1 343.427 3.149 40 0 EGABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1CO ZINC000257217662 244174006 /nfs/dbraw/zinc/17/40/06/244174006.db2.gz CZZJSSMZUFOPJC-OAHLLOKOSA-N 1 1 332.469 3.414 40 0 EGABMO c1cc2cc(C[C@H]3COCC[N@H+](Cc4cscn4)C3)ccc2[nH]1 ZINC000257211418 244152804 /nfs/dbraw/zinc/15/28/04/244152804.db2.gz BYUHQZPLSLJJGF-OAHLLOKOSA-N 1 1 327.453 3.316 40 0 EGABMO c1cc2cc(C[C@H]3COCC[N@@H+](Cc4cscn4)C3)ccc2[nH]1 ZINC000257211418 244152811 /nfs/dbraw/zinc/15/28/11/244152811.db2.gz BYUHQZPLSLJJGF-OAHLLOKOSA-N 1 1 327.453 3.316 40 0 EGABMO c1cc2cc(C[C@@H]3COCC[N@H+](Cc4cscn4)C3)ccc2[nH]1 ZINC000257211417 244153594 /nfs/dbraw/zinc/15/35/94/244153594.db2.gz BYUHQZPLSLJJGF-HNNXBMFYSA-N 1 1 327.453 3.316 40 0 EGABMO c1cc2cc(C[C@@H]3COCC[N@@H+](Cc4cscn4)C3)ccc2[nH]1 ZINC000257211417 244153600 /nfs/dbraw/zinc/15/36/00/244153600.db2.gz BYUHQZPLSLJJGF-HNNXBMFYSA-N 1 1 327.453 3.316 40 0 EGABMO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000257222054 244189101 /nfs/dbraw/zinc/18/91/01/244189101.db2.gz DRRRGSRHBHZSMK-HNNXBMFYSA-N 1 1 337.427 3.141 40 0 EGABMO Cc1cc2nc(C3CC[NH+](Cc4nccs4)CC3)cc(C)n2n1 ZINC000257223245 244190685 /nfs/dbraw/zinc/19/06/85/244190685.db2.gz DWNHXIVETSTNQA-UHFFFAOYSA-N 1 1 327.457 3.182 40 0 EGABMO CO[C@H]1CC[N@@H+](Cc2cn(C)c3ccc(F)cc23)C[C@@]12CCCO2 ZINC000257237161 244233619 /nfs/dbraw/zinc/23/36/19/244233619.db2.gz HFKASZZYWCWOIO-OALUTQOASA-N 1 1 332.419 3.087 40 0 EGABMO CC[N@H+](Cc1ccncc1)Cc1cnc([C@]2(C)CCCCO2)nc1 ZINC000257252713 244274082 /nfs/dbraw/zinc/27/40/82/244274082.db2.gz JVVLWOOEUQXZBV-IBGZPJMESA-N 1 1 326.444 3.309 40 0 EGABMO CC[N@@H+](Cc1ccncc1)Cc1cnc([C@]2(C)CCCCO2)nc1 ZINC000257252713 244274089 /nfs/dbraw/zinc/27/40/89/244274089.db2.gz JVVLWOOEUQXZBV-IBGZPJMESA-N 1 1 326.444 3.309 40 0 EGABMO CC1(C)Cc2cc(C[N@H+]3CC[C@@H](C(=O)NC4CCCC4)C3)ccc2O1 ZINC000019750388 212062467 /nfs/dbraw/zinc/06/24/67/212062467.db2.gz WBHWHTYMZSWIAK-MRXNPFEDSA-N 1 1 342.483 3.281 40 0 EGABMO CCc1nc2cc(NC(=O)CCn3cc[nH+]c3CC)ccc2n1CC ZINC000019523659 212038149 /nfs/dbraw/zinc/03/81/49/212038149.db2.gz UIDCSWAJQZDMSS-UHFFFAOYSA-N 1 1 339.443 3.406 40 0 EGABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000019503708 212035191 /nfs/dbraw/zinc/03/51/91/212035191.db2.gz JCJLIKIFQALMAC-INIZCTEOSA-N 1 1 327.428 3.194 40 0 EGABMO CCN1CC[NH+](C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000019367089 212022983 /nfs/dbraw/zinc/02/29/83/212022983.db2.gz OONGEXVPSRLMAY-HXUWFJFHSA-N 1 1 346.515 3.112 40 0 EGABMO OC1CC[NH+](Cc2ccc(CNCc3ccccc3F)cc2)CC1 ZINC000078553930 217074931 /nfs/dbraw/zinc/07/49/31/217074931.db2.gz NISMRZUIKVCDOD-UHFFFAOYSA-N 1 1 328.431 3.072 40 0 EGABMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)NCc1ccccn1 ZINC000078922965 217149107 /nfs/dbraw/zinc/14/91/07/217149107.db2.gz JRCVMEWIUJEOSG-OAQYLSRUSA-N 1 1 349.409 3.216 40 0 EGABMO C[C@H](CNC(=O)N(C)[C@@H](C)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000078925999 217149514 /nfs/dbraw/zinc/14/95/14/217149514.db2.gz IYFXKZKTQABYJS-SJORKVTESA-N 1 1 340.471 3.305 40 0 EGABMO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)n(C(C)(C)C)n1 ZINC000079097354 217191907 /nfs/dbraw/zinc/19/19/07/217191907.db2.gz GZYKSRPJCKZVBE-AWEZNQCLSA-N 1 1 344.459 3.284 40 0 EGABMO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)n(C(C)(C)C)n1 ZINC000079097354 217191909 /nfs/dbraw/zinc/19/19/09/217191909.db2.gz GZYKSRPJCKZVBE-AWEZNQCLSA-N 1 1 344.459 3.284 40 0 EGABMO CCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000079354173 217213280 /nfs/dbraw/zinc/21/32/80/217213280.db2.gz FBPLIBPHGBXQDU-JKSUJKDBSA-N 1 1 338.517 3.076 40 0 EGABMO O[C@]1(c2cccnc2)CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@@H]21 ZINC000012337143 211350899 /nfs/dbraw/zinc/35/08/99/211350899.db2.gz YHQYVBJFVDONSK-WNYOCNMUSA-N 1 1 344.405 3.480 40 0 EGABMO CCn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 ZINC000012325309 211349697 /nfs/dbraw/zinc/34/96/97/211349697.db2.gz SMZFMCJTNVPTSB-DFNIBXOVSA-N 1 1 329.419 3.057 40 0 EGABMO CC(C)n1cccc1C[N@H+]1CCc2nc(-c3ccncc3)[nH]c(=O)c2C1 ZINC000012121895 211299071 /nfs/dbraw/zinc/29/90/71/211299071.db2.gz WZVJQCXQQCJSLE-UHFFFAOYSA-N 1 1 349.438 3.185 40 0 EGABMO COc1ccccc1C[N@H+]1CCC[C@H](n2c3ccccc3oc2=O)C1 ZINC000012119114 211297257 /nfs/dbraw/zinc/29/72/57/211297257.db2.gz RWLFNUALUYGTKC-INIZCTEOSA-N 1 1 338.407 3.440 40 0 EGABMO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)n1cnc2ccccc21 ZINC000012148560 211308173 /nfs/dbraw/zinc/30/81/73/211308173.db2.gz SGFVFIPOMBHZGP-SJLPKXTDSA-N 1 1 342.487 3.224 40 0 EGABMO CCN1CCN(c2cc(C[NH2+][C@@H](C)c3sccc3C)ccn2)CC1 ZINC000095421339 218362874 /nfs/dbraw/zinc/36/28/74/218362874.db2.gz TWNMCOXJUSFSDE-INIZCTEOSA-N 1 1 344.528 3.444 40 0 EGABMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114425225 162230748 /nfs/dbraw/zinc/23/07/48/162230748.db2.gz PGQPCSVQHUHEHL-KCPJHIHWSA-N 1 1 326.362 3.052 40 0 EGABMO c1c[nH+]c([C@H]2CCCN(c3nc(-c4ccncc4)nc4c3CCC4)C2)[nH]1 ZINC000075721740 275063895 /nfs/dbraw/zinc/06/38/95/275063895.db2.gz AHZSCZMYDLZSFZ-HNNXBMFYSA-N 1 1 346.438 3.134 40 0 EGABMO c1csc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)c1 ZINC000096061682 275074752 /nfs/dbraw/zinc/07/47/52/275074752.db2.gz OLYUISZJFXEDQU-UXHICEINSA-N 1 1 342.508 3.266 40 0 EGABMO Cc1c(C(=O)N2CCCc3cc(C)ccc32)cnn1-c1cc[nH+]cc1 ZINC000090113745 280206772 /nfs/dbraw/zinc/20/67/72/280206772.db2.gz KPQIKOPAJKVRPB-UHFFFAOYSA-N 1 1 332.407 3.477 40 0 EGABMO O=S1(=O)CC[C@@H](C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)C1 ZINC000242140884 280347772 /nfs/dbraw/zinc/34/77/72/280347772.db2.gz WQCQHIBYDKKFMX-KBXCAEBGSA-N 1 1 332.469 3.130 40 0 EGABMO O=S1(=O)CC[C@@H](C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)C1 ZINC000242140884 280347775 /nfs/dbraw/zinc/34/77/75/280347775.db2.gz WQCQHIBYDKKFMX-KBXCAEBGSA-N 1 1 332.469 3.130 40 0 EGABMO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)[C@@H](C)C2 ZINC000195553600 281116294 /nfs/dbraw/zinc/11/62/94/281116294.db2.gz NMWRACKFUNUYRX-XGHQBKJUSA-N 1 1 328.500 3.319 40 0 EGABMO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)[C@@H](C)C2 ZINC000195553604 281116351 /nfs/dbraw/zinc/11/63/51/281116351.db2.gz NMWRACKFUNUYRX-CSODHUTKSA-N 1 1 328.500 3.319 40 0 EGABMO O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CC[C@H](Nc3ccccc3)C2)C1 ZINC000239762147 455262484 /nfs/dbraw/zinc/26/24/84/455262484.db2.gz CKYQPZIJXBUFOO-NQIIRXRSSA-N 1 1 349.478 3.335 40 0 EGABMO OCc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000239722598 455262532 /nfs/dbraw/zinc/26/25/32/455262532.db2.gz CDRYBQDWPZATFU-GOSISDBHSA-N 1 1 349.377 3.354 40 0 EGABMO OCc1ccc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000239722598 455262538 /nfs/dbraw/zinc/26/25/38/455262538.db2.gz CDRYBQDWPZATFU-GOSISDBHSA-N 1 1 349.377 3.354 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccoc1C1CC1 ZINC000241170996 455266769 /nfs/dbraw/zinc/26/67/69/455266769.db2.gz KDJZVIGYJRSXAQ-RDTXWAMCSA-N 1 1 339.439 3.192 40 0 EGABMO COc1cc2c(cc1OC)-c1c3c(cc4c1[C@@H](C2)[N@H+](C)CC4)OCO3 ZINC000001556419 452667002 /nfs/dbraw/zinc/66/70/02/452667002.db2.gz YJWBWQWUHVXPNC-CQSZACIVSA-N 1 1 339.391 3.185 40 0 biogenic,in-vitro EGABMO COc1cc2c(cc1OC)-c1c3c(cc4c1[C@@H](C2)[N@@H+](C)CC4)OCO3 ZINC000001556419 452667011 /nfs/dbraw/zinc/66/70/11/452667011.db2.gz YJWBWQWUHVXPNC-CQSZACIVSA-N 1 1 339.391 3.185 40 0 biogenic,in-vitro EGABMO CC[C@H](OC[C@@H](O)C[N@@H+](CCO)Cc1ccccc1)c1ccccc1 ZINC000006440554 452945039 /nfs/dbraw/zinc/94/50/39/452945039.db2.gz ITVGMNRFDVQDOW-SFTDATJTSA-N 1 1 343.467 3.010 40 0 EGABMO Cc1cc(Cl)ccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000006501103 452948083 /nfs/dbraw/zinc/94/80/83/452948083.db2.gz LUVDTOQNWMQDCD-GOSISDBHSA-N 1 1 331.843 3.446 40 0 EGABMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCCC2)c1 ZINC000007340310 453061136 /nfs/dbraw/zinc/06/11/36/453061136.db2.gz IIFXTRVRDZQKAH-UHFFFAOYSA-N 1 1 337.423 3.282 40 0 EGABMO Cc1ccc([C@@]2(O)CCC[C@@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@@H]32)cc1 ZINC000012186320 453347005 /nfs/dbraw/zinc/34/70/05/453347005.db2.gz LOEHXFLWUKAUCB-GIVPXCGWSA-N 1 1 337.467 3.213 40 0 EGABMO Cc1ccc(C)c(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000012757556 453398851 /nfs/dbraw/zinc/39/88/51/453398851.db2.gz JNKDGKDVIDQKBL-UHFFFAOYSA-N 1 1 338.451 3.066 40 0 EGABMO COc1ccc(C[N@@H+](Cc2cccnc2)C[C@H]2CCCO2)cc1OC ZINC000013994134 453495126 /nfs/dbraw/zinc/49/51/26/453495126.db2.gz VVOOJMFJHMSBLZ-GOSISDBHSA-N 1 1 342.439 3.280 40 0 EGABMO COc1ccc(C[N@H+](Cc2cccnc2)C[C@H]2CCCO2)cc1OC ZINC000013994134 453495133 /nfs/dbraw/zinc/49/51/33/453495133.db2.gz VVOOJMFJHMSBLZ-GOSISDBHSA-N 1 1 342.439 3.280 40 0 EGABMO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015674109 453581987 /nfs/dbraw/zinc/58/19/87/453581987.db2.gz JRAKIKWBFPHHTJ-MSOLQXFVSA-N 1 1 335.407 3.353 40 0 biogenic,in-vitro EGABMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015674109 453581992 /nfs/dbraw/zinc/58/19/92/453581992.db2.gz JRAKIKWBFPHHTJ-MSOLQXFVSA-N 1 1 335.407 3.353 40 0 biogenic,in-vitro EGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)CCCOc1cccc(F)c1 ZINC000019712486 453658272 /nfs/dbraw/zinc/65/82/72/453658272.db2.gz QWQZMIFGLLJEJC-RBUKOAKNSA-N 1 1 348.462 3.460 40 0 EGABMO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCO[C@@H](C)C3)cc2)cc1 ZINC000024014576 453721183 /nfs/dbraw/zinc/72/11/83/453721183.db2.gz LGYJMRIVGMCTBT-HNNXBMFYSA-N 1 1 340.423 3.168 40 0 EGABMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CCO[C@@H](C)C3)cc2)cc1 ZINC000024014576 453721186 /nfs/dbraw/zinc/72/11/86/453721186.db2.gz LGYJMRIVGMCTBT-HNNXBMFYSA-N 1 1 340.423 3.168 40 0 EGABMO C[C@@H](Oc1ccccc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029839114 453831944 /nfs/dbraw/zinc/83/19/44/453831944.db2.gz FVUPDSOBSDYOSB-QGZVFWFLSA-N 1 1 338.451 3.019 40 0 EGABMO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)no1 ZINC000075965075 453942808 /nfs/dbraw/zinc/94/28/08/453942808.db2.gz IBCXTFPWVITHIL-CQSZACIVSA-N 1 1 331.441 3.036 40 0 EGABMO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)no1 ZINC000075965075 453942811 /nfs/dbraw/zinc/94/28/11/453942811.db2.gz IBCXTFPWVITHIL-CQSZACIVSA-N 1 1 331.441 3.036 40 0 EGABMO C[C@@H](c1ccccc1)[N@H+](CC(=O)NC1CCOCC1)CC1CCC1 ZINC000077372233 454098451 /nfs/dbraw/zinc/09/84/51/454098451.db2.gz FLZBDCNITGVPSB-INIZCTEOSA-N 1 1 330.472 3.145 40 0 EGABMO CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]32 ZINC000071404424 454206152 /nfs/dbraw/zinc/20/61/52/454206152.db2.gz FNGGIPWAZSFKCN-HKBOAZHASA-N 1 1 336.435 3.221 40 0 EGABMO [NH3+][C@@H](c1nc(-c2ccc(Br)o2)n[nH]1)c1ccc(F)cc1 ZINC000095533347 454230889 /nfs/dbraw/zinc/23/08/89/454230889.db2.gz KWPFXCQVOJPTNJ-LLVKDONJSA-N 1 1 337.152 3.014 40 0 EGABMO c1csc(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096042152 454266210 /nfs/dbraw/zinc/26/62/10/454266210.db2.gz WCWGGFRSJMYLRX-OKZBNKHCSA-N 1 1 330.453 3.092 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096042152 454266216 /nfs/dbraw/zinc/26/62/16/454266216.db2.gz WCWGGFRSJMYLRX-OKZBNKHCSA-N 1 1 330.453 3.092 40 0 EGABMO Cn1cc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046988 454269333 /nfs/dbraw/zinc/26/93/33/454269333.db2.gz YPVCDFBODJECLZ-HXUWFJFHSA-N 1 1 342.462 3.047 40 0 EGABMO Cn1cc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046988 454269338 /nfs/dbraw/zinc/26/93/38/454269338.db2.gz YPVCDFBODJECLZ-HXUWFJFHSA-N 1 1 342.462 3.047 40 0 EGABMO Cn1cc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046988 454269339 /nfs/dbraw/zinc/26/93/39/454269339.db2.gz YPVCDFBODJECLZ-HXUWFJFHSA-N 1 1 342.462 3.047 40 0 EGABMO O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096047024 454269409 /nfs/dbraw/zinc/26/94/09/454269409.db2.gz VYUZBHDABYBVMT-IBGZPJMESA-N 1 1 341.480 3.271 40 0 EGABMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)o1 ZINC000096051182 454272738 /nfs/dbraw/zinc/27/27/38/454272738.db2.gz UPQDXXWAFIXIIL-KRWDZBQOSA-N 1 1 348.397 3.116 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccoc2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096051142 454272822 /nfs/dbraw/zinc/27/28/22/454272822.db2.gz HKTBKJUXFGVCAM-QGZVFWFLSA-N 1 1 333.382 3.412 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)o1 ZINC000096050719 454272943 /nfs/dbraw/zinc/27/29/43/454272943.db2.gz FJKKLFHXSVYERW-IBGZPJMESA-N 1 1 328.387 3.356 40 0 EGABMO CC[C@@H]1[N@@H+](Cc2cccs2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052434 454272985 /nfs/dbraw/zinc/27/29/85/454272985.db2.gz UKCURYZLEGMBED-WMZOPIPTSA-N 1 1 336.501 3.130 40 0 EGABMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N)[nH+]c2C)cc1 ZINC000072218598 454275554 /nfs/dbraw/zinc/27/55/54/454275554.db2.gz HHEXCUKSQUFQNU-QGZVFWFLSA-N 1 1 345.468 3.197 40 0 EGABMO Cn1ncc2c1[C@H](COCC1CC1)C[N@H+](Cc1ccc(F)cc1)C2 ZINC000096060111 454275869 /nfs/dbraw/zinc/27/58/69/454275869.db2.gz OIMLMZXCFGOHJY-KRWDZBQOSA-N 1 1 329.419 3.085 40 0 EGABMO Cn1ncc2c1[C@H](COCC1CC1)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096060111 454275872 /nfs/dbraw/zinc/27/58/72/454275872.db2.gz OIMLMZXCFGOHJY-KRWDZBQOSA-N 1 1 329.419 3.085 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)co1 ZINC000096064638 454278937 /nfs/dbraw/zinc/27/89/37/454278937.db2.gz SPUURGFEJREJPN-QYZOEREBSA-N 1 1 328.412 3.013 40 0 EGABMO Fc1cccnc1O[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccoc1)C2 ZINC000096107393 454284513 /nfs/dbraw/zinc/28/45/13/454284513.db2.gz LAGDVCHHNFDEHH-QAPCUYQASA-N 1 1 332.375 3.016 40 0 EGABMO c1csc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)c1 ZINC000096110370 454285821 /nfs/dbraw/zinc/28/58/21/454285821.db2.gz YYRKYVOKZKGUAY-MSOLQXFVSA-N 1 1 330.453 3.203 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096158083 454294522 /nfs/dbraw/zinc/29/45/22/454294522.db2.gz JXWJFGCQYHCASG-GOSISDBHSA-N 1 1 346.500 3.236 40 0 EGABMO Fc1cccc(-c2ncnc3c2CC[N@@H+](Cc2ccccn2)CC3)c1 ZINC000096187646 454299956 /nfs/dbraw/zinc/29/99/56/454299956.db2.gz YJRSCBPHNVPICL-UHFFFAOYSA-N 1 1 334.398 3.279 40 0 EGABMO c1csc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)n1 ZINC000096208620 454304766 /nfs/dbraw/zinc/30/47/66/454304766.db2.gz IEEMBRMPEPPBFO-QAPCUYQASA-N 1 1 344.484 3.021 40 0 EGABMO c1csc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)n1 ZINC000096208620 454304772 /nfs/dbraw/zinc/30/47/72/454304772.db2.gz IEEMBRMPEPPBFO-QAPCUYQASA-N 1 1 344.484 3.021 40 0 EGABMO CCSc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C)cn1 ZINC000090467382 454309763 /nfs/dbraw/zinc/30/97/63/454309763.db2.gz UZWYTQSGZWWHFG-UHFFFAOYSA-N 1 1 339.424 3.335 40 0 EGABMO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261533 454314307 /nfs/dbraw/zinc/31/43/07/454314307.db2.gz YPBMBCKBMJRTPL-SVFBPWRDSA-N 1 1 339.483 3.184 40 0 EGABMO COc1ccc2c3c1O[C@@]1(C)C=C(Cl)C=C4[C@@H](C2)[N@@H+](C)CC[C@@]341 ZINC000096316378 454318316 /nfs/dbraw/zinc/31/83/16/454318316.db2.gz ZOKWVYUPBVGDOC-CCKFTAQKSA-N 1 1 329.827 3.407 40 0 biogenic,in-vitro EGABMO Cc1[nH+]ccn1CCCNC(=O)NCc1oc2ccccc2c1C ZINC000096406823 454324197 /nfs/dbraw/zinc/32/41/97/454324197.db2.gz SNEAHCJOYLSMOX-UHFFFAOYSA-N 1 1 326.400 3.136 40 0 EGABMO Cc1ncsc1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000096413837 454330264 /nfs/dbraw/zinc/33/02/64/454330264.db2.gz BUGMNSLWTHGHEY-BETUJISGSA-N 1 1 345.468 3.313 40 0 EGABMO Cc1ncsc1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000096413837 454330271 /nfs/dbraw/zinc/33/02/71/454330271.db2.gz BUGMNSLWTHGHEY-BETUJISGSA-N 1 1 345.468 3.313 40 0 EGABMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(F)cc(N3CCCC3)c2)C1 ZINC000096453140 454356260 /nfs/dbraw/zinc/35/62/60/454356260.db2.gz BFMVCHIUJBTTDB-HNNXBMFYSA-N 1 1 348.466 3.231 40 0 EGABMO O=C(NC[C@@H]1OCCc2sccc21)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000096452105 454356816 /nfs/dbraw/zinc/35/68/16/454356816.db2.gz KSSKTVGDDGZSGT-YOEHRIQHSA-N 1 1 348.512 3.133 40 0 EGABMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1CC=CC1 ZINC000096469989 454361483 /nfs/dbraw/zinc/36/14/83/454361483.db2.gz LDZZJJDYVDAUKC-UHFFFAOYSA-N 1 1 339.439 3.429 40 0 EGABMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC1CC=CC1 ZINC000096469989 454361487 /nfs/dbraw/zinc/36/14/87/454361487.db2.gz LDZZJJDYVDAUKC-UHFFFAOYSA-N 1 1 339.439 3.429 40 0 EGABMO COC(=O)c1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000048333615 454474963 /nfs/dbraw/zinc/47/49/63/454474963.db2.gz VZHZEDVKCHUDDE-OAHLLOKOSA-N 1 1 347.459 3.249 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)cc1 ZINC000049169463 454537601 /nfs/dbraw/zinc/53/76/01/454537601.db2.gz QCFNJCCWWQATQP-AWEZNQCLSA-N 1 1 325.368 3.328 40 0 biogenic,in-vitro EGABMO O=C(/C=C/c1nc2ccccc2o1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000065607439 454602223 /nfs/dbraw/zinc/60/22/23/454602223.db2.gz PRVGTBSRSHTQQA-DVQDXYAYSA-N 1 1 347.418 3.232 40 0 EGABMO Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCC3)C2)no1 ZINC000107712581 454769888 /nfs/dbraw/zinc/76/98/88/454769888.db2.gz PPFGYKQFKWYHOX-MOPGFXCFSA-N 1 1 334.460 3.171 40 0 EGABMO Cc1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCC3)C2)no1 ZINC000107712581 454769891 /nfs/dbraw/zinc/76/98/91/454769891.db2.gz PPFGYKQFKWYHOX-MOPGFXCFSA-N 1 1 334.460 3.171 40 0 EGABMO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126889000 454925043 /nfs/dbraw/zinc/92/50/43/454925043.db2.gz SJNLUQAHIHTRMA-HOTGVXAUSA-N 1 1 342.443 3.098 40 0 EGABMO CCN(C)c1ccccc1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000245344121 455282448 /nfs/dbraw/zinc/28/24/48/455282448.db2.gz XQGYULIXHHVNID-XYJFISCASA-N 1 1 342.487 3.091 40 0 EGABMO Cc1nc(COC[C@@H]2C[C@@H]3OCC[N@H+](Cc4ccoc4)[C@H]3C2)cs1 ZINC000248068201 455677384 /nfs/dbraw/zinc/67/73/84/455677384.db2.gz XOORUXDUYOYWKX-SZMVWBNQSA-N 1 1 348.468 3.241 40 0 EGABMO Cc1nc(COC[C@@H]2C[C@@H]3OCC[N@@H+](Cc4ccoc4)[C@H]3C2)cs1 ZINC000248068201 455677388 /nfs/dbraw/zinc/67/73/88/455677388.db2.gz XOORUXDUYOYWKX-SZMVWBNQSA-N 1 1 348.468 3.241 40 0 EGABMO Cc1ccc(C[N@H+]2Cc3cccn3C[C@H](OCc3ccccn3)C2)o1 ZINC000248125304 455684107 /nfs/dbraw/zinc/68/41/07/455684107.db2.gz WPSOERUIWBTWND-HXUWFJFHSA-N 1 1 337.423 3.386 40 0 EGABMO Cc1ccc(C[N@@H+]2Cc3cccn3C[C@H](OCc3ccccn3)C2)o1 ZINC000248125304 455684108 /nfs/dbraw/zinc/68/41/08/455684108.db2.gz WPSOERUIWBTWND-HXUWFJFHSA-N 1 1 337.423 3.386 40 0 EGABMO Cc1ccc(C[N@H+]2Cc3cccn3C[C@H](OCc3cccnc3)C2)o1 ZINC000248125327 455684631 /nfs/dbraw/zinc/68/46/31/455684631.db2.gz WQBGIIDPWWBKBD-HXUWFJFHSA-N 1 1 337.423 3.386 40 0 EGABMO Cc1ccc(C[N@@H+]2Cc3cccn3C[C@H](OCc3cccnc3)C2)o1 ZINC000248125327 455684636 /nfs/dbraw/zinc/68/46/36/455684636.db2.gz WQBGIIDPWWBKBD-HXUWFJFHSA-N 1 1 337.423 3.386 40 0 EGABMO COc1ccccc1[C@@H](CNC(=O)c1ccoc1C1CC1)[NH+](C)C ZINC000252478279 455807149 /nfs/dbraw/zinc/80/71/49/455807149.db2.gz AHXUCBZYAMFIQH-MRXNPFEDSA-N 1 1 328.412 3.198 40 0 EGABMO COc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)C[C@H]2c2cccs2)cc1 ZINC000252516820 455819792 /nfs/dbraw/zinc/81/97/92/455819792.db2.gz XBOVYNUCTICSID-XJKSGUPXSA-N 1 1 345.468 3.224 40 0 EGABMO O[C@H]1C[C@@H](c2ccccc2C(F)(F)F)[N@@H+](CC2=CCCOC2)C1 ZINC000253417061 455842098 /nfs/dbraw/zinc/84/20/98/455842098.db2.gz CMNZBURXCCECBS-BBRMVZONSA-N 1 1 327.346 3.160 40 0 EGABMO Cc1ccc(OCC(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@@H+]3C)cc1 ZINC000257311490 455889250 /nfs/dbraw/zinc/88/92/50/455889250.db2.gz UJSFNFYJSDTUCE-ICSRJNTNSA-N 1 1 330.472 3.239 40 0 EGABMO Cc1ccc(NC(=O)C[NH+]2CCC3(COC(C)(C)C3)CC2)cc1F ZINC000257338411 455895939 /nfs/dbraw/zinc/89/59/39/455895939.db2.gz YXIFFXVEJNDOKH-UHFFFAOYSA-N 1 1 334.435 3.354 40 0 EGABMO COc1ccc(CCC(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000260740966 455900467 /nfs/dbraw/zinc/90/04/67/455900467.db2.gz CETJBXQXUUFAFY-INIZCTEOSA-N 1 1 332.488 3.174 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2cccc(C)n2)cc1 ZINC000225458974 456083791 /nfs/dbraw/zinc/08/37/91/456083791.db2.gz XQDALOYTZPKNLF-UHFFFAOYSA-N 1 1 337.452 3.371 40 0 EGABMO COC(C)(C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225599255 456096754 /nfs/dbraw/zinc/09/67/54/456096754.db2.gz GCQBBOABDWQCEC-HNNXBMFYSA-N 1 1 334.460 3.303 40 0 EGABMO Cc1csc(C(=O)N2CC[C@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000225684239 456102674 /nfs/dbraw/zinc/10/26/74/456102674.db2.gz VGAOMGSHQYGNHM-KRWDZBQOSA-N 1 1 326.465 3.329 40 0 EGABMO COCC[N@@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CCCc2cccnc21 ZINC000364327053 457562219 /nfs/dbraw/zinc/56/22/19/457562219.db2.gz XHVCQZAIXFFTIY-IBGZPJMESA-N 1 1 336.439 3.484 40 0 EGABMO C[NH+]1CCN(C(=S)c2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000408573828 457582541 /nfs/dbraw/zinc/58/25/41/457582541.db2.gz KVRYDGVQESCGOP-UHFFFAOYSA-N 1 1 344.455 3.328 40 0 EGABMO O=C(c1cccs1)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408611502 457583762 /nfs/dbraw/zinc/58/37/62/457583762.db2.gz SMYXAKKCTWOWRQ-QGZVFWFLSA-N 1 1 326.465 3.411 40 0 EGABMO O=C(c1cccc(F)c1)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408609774 457583931 /nfs/dbraw/zinc/58/39/31/457583931.db2.gz ORPMJTGUCZTKRA-FQEVSTJZSA-N 1 1 338.426 3.489 40 0 EGABMO O=C(c1ccc(F)cc1)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408610652 457584260 /nfs/dbraw/zinc/58/42/60/457584260.db2.gz QZJVULCSQAERLO-FQEVSTJZSA-N 1 1 338.426 3.489 40 0 EGABMO CCC[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 ZINC000514289768 458798141 /nfs/dbraw/zinc/79/81/41/458798141.db2.gz DWBYMZQIBAZITB-IRFCIJBXSA-N 1 1 344.499 3.269 40 0 biogenic,in-vitro EGABMO O=C(N1CCC2(CCC[N@@H+](Cc3ccccn3)C2)CC1)C1(F)CCC1 ZINC000585099908 459823174 /nfs/dbraw/zinc/82/31/74/459823174.db2.gz XMECPLBMPPZTKW-UHFFFAOYSA-N 1 1 345.462 3.178 40 0 EGABMO CCn1cc(C[N@H+]2Cc3cccn3C[C@@H](CCOCC3CC3)C2)cn1 ZINC000585095574 459823284 /nfs/dbraw/zinc/82/32/84/459823284.db2.gz XYEGWPMYEUAUCJ-SFHVURJKSA-N 1 1 342.487 3.153 40 0 EGABMO CCn1cc(C[N@@H+]2Cc3cccn3C[C@@H](CCOCC3CC3)C2)cn1 ZINC000585095574 459823288 /nfs/dbraw/zinc/82/32/88/459823288.db2.gz XYEGWPMYEUAUCJ-SFHVURJKSA-N 1 1 342.487 3.153 40 0 EGABMO CN(C)c1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]3C)C2)c2ccccc21 ZINC000585102110 459824046 /nfs/dbraw/zinc/82/40/46/459824046.db2.gz RVXCPJPGDBJLLL-OAQYLSRUSA-N 1 1 337.467 3.216 40 0 EGABMO CC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(C)c2)[C@H]1Cc1ccccc1 ZINC000585269149 459832572 /nfs/dbraw/zinc/83/25/72/459832572.db2.gz KNTPVDLPNXIBIB-SFTDATJTSA-N 1 1 337.467 3.102 40 0 EGABMO Cc1ccc(OC[C@@]2(O)C[N@H+](C3CCC(C)(C)CC3)CC[C@@H]2O)cc1 ZINC000585281750 459832757 /nfs/dbraw/zinc/83/27/57/459832757.db2.gz ALUWTYYVYPIXIF-FPOVZHCZSA-N 1 1 347.499 3.140 40 0 EGABMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)[C@H](CO)[C@@H]1O ZINC000585294457 459834240 /nfs/dbraw/zinc/83/42/40/459834240.db2.gz FWXWSCKNWJYPIB-BHIYHBOVSA-N 1 1 349.833 3.109 40 0 EGABMO Cc1[nH]c2ccccc2c1C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000162680907 546966601 /nfs/dbraw/zinc/96/66/01/546966601.db2.gz GZGDFIHETQJNHZ-UHFFFAOYSA-N 1 1 334.423 3.142 40 0 EGABMO Cn1cc(C[C@H]2[C@@H](OCC3CC3)CC[N@H+]2Cc2cccs2)cn1 ZINC000306127193 547459864 /nfs/dbraw/zinc/45/98/64/547459864.db2.gz FRHQVYCZNZABFR-ROUUACIJSA-N 1 1 331.485 3.094 40 0 EGABMO CC(C)n1nccc1C(=O)NC[C@H](c1ccccc1F)[NH+]1CCCC1 ZINC000019454583 202008320 /nfs/dbraw/zinc/00/83/20/202008320.db2.gz QDDJJBNWSFQPQF-GOSISDBHSA-N 1 1 344.434 3.170 40 0 EGABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cccc(Oc2ccccc2)c1 ZINC000019575290 202012420 /nfs/dbraw/zinc/01/24/20/202012420.db2.gz LJDBOVSRUAMIBV-NZSAHSFTSA-N 1 1 338.451 3.118 40 0 EGABMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000040013640 213249948 /nfs/dbraw/zinc/24/99/48/213249948.db2.gz JFSGYWHPLLUQSZ-LIRRHRJNSA-N 1 1 345.414 3.461 40 0 EGABMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000040030763 202166550 /nfs/dbraw/zinc/16/65/50/202166550.db2.gz YYQUAVGGFGYAAI-UHFFFAOYSA-N 1 1 326.415 3.482 40 0 EGABMO C[C@H](c1nccs1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000072203856 216069580 /nfs/dbraw/zinc/06/95/80/216069580.db2.gz RJUXRPIJMKYRNH-GFCCVEGCSA-N 1 1 325.478 3.441 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)/C=C/c1ccncc1 ZINC000077140380 202383788 /nfs/dbraw/zinc/38/37/88/202383788.db2.gz RHFOZEKTCMDBOH-GFOMBABLSA-N 1 1 335.451 3.218 40 0 EGABMO Nc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC000193402025 240151477 /nfs/dbraw/zinc/15/14/77/240151477.db2.gz AHKXTCYGHZPTFY-PMACEKPBSA-N 1 1 336.483 3.150 40 0 EGABMO c1cc(C[N@H+]2CCO[C@H]3C[C@@H](COCc4ccncc4)C[C@H]32)cs1 ZINC000253588546 244024611 /nfs/dbraw/zinc/02/46/11/244024611.db2.gz HJMPZLYIJWWOBG-OTWHNJEPSA-N 1 1 344.480 3.339 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@H]3C[C@@H](COCc4ccncc4)C[C@H]32)cs1 ZINC000253588546 244024615 /nfs/dbraw/zinc/02/46/15/244024615.db2.gz HJMPZLYIJWWOBG-OTWHNJEPSA-N 1 1 344.480 3.339 40 0 EGABMO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257203557 244126653 /nfs/dbraw/zinc/12/66/53/244126653.db2.gz AQQLTRSMTBLWRK-ZDUSSCGKSA-N 1 1 340.456 3.011 40 0 EGABMO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257203557 244126661 /nfs/dbraw/zinc/12/66/61/244126661.db2.gz AQQLTRSMTBLWRK-ZDUSSCGKSA-N 1 1 340.456 3.011 40 0 EGABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2CCc2ccc(F)cc2)n1 ZINC000257207559 244138936 /nfs/dbraw/zinc/13/89/36/244138936.db2.gz BIHOLZBFQMCQFZ-FQEVSTJZSA-N 1 1 341.430 3.236 40 0 EGABMO Cc1noc(C)c1-c1cccc(C2CC[NH+](Cc3ncc[nH]3)CC2)n1 ZINC000257227784 244206160 /nfs/dbraw/zinc/20/61/60/244206160.db2.gz FQVZPIPDIJKNAS-UHFFFAOYSA-N 1 1 337.427 3.456 40 0 EGABMO COCC(=O)N1CCC[C@H]1c1cc(Nc2ncccc2C)cc(C)[nH+]1 ZINC000072372524 203209051 /nfs/dbraw/zinc/20/90/51/203209051.db2.gz YJYTWKCWMPSNFH-KRWDZBQOSA-N 1 1 340.427 3.147 40 0 EGABMO c1ccc(CC[N@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377571 203209780 /nfs/dbraw/zinc/20/97/80/203209780.db2.gz PTOVMDNXRSCZJI-GOSISDBHSA-N 1 1 346.438 3.390 40 0 EGABMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)cc(OC)c1 ZINC000072340962 203203757 /nfs/dbraw/zinc/20/37/57/203203757.db2.gz DUWINFDRTPEGEJ-KUHUBIRLSA-N 1 1 325.412 3.064 40 0 EGABMO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)cc(OC)c1 ZINC000072340962 203203760 /nfs/dbraw/zinc/20/37/60/203203760.db2.gz DUWINFDRTPEGEJ-KUHUBIRLSA-N 1 1 325.412 3.064 40 0 EGABMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)N1CCCC1 ZINC000072357646 203204226 /nfs/dbraw/zinc/20/42/26/203204226.db2.gz AUEACICIJPWAQU-OAQYLSRUSA-N 1 1 349.478 3.432 40 0 EGABMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)N1CCCC1 ZINC000072357646 203204229 /nfs/dbraw/zinc/20/42/29/203204229.db2.gz AUEACICIJPWAQU-OAQYLSRUSA-N 1 1 349.478 3.432 40 0 EGABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2cccc(-n3ccnc3C)n2)cn1 ZINC000072355506 203205378 /nfs/dbraw/zinc/20/53/78/203205378.db2.gz HGYVJZRGOJMJGU-GOSISDBHSA-N 1 1 336.443 3.129 40 0 EGABMO Cc1ccnc(NC(=O)CCc2cc(C)nc([C@H]3CCC[N@@H+]3C)c2)c1 ZINC000072366935 203208208 /nfs/dbraw/zinc/20/82/08/203208208.db2.gz ICUSSGWXLYMJLV-GOSISDBHSA-N 1 1 338.455 3.431 40 0 EGABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000072378442 203208525 /nfs/dbraw/zinc/20/85/25/203208525.db2.gz MPQSGHJDCZMOEZ-IBGZPJMESA-N 1 1 346.434 3.482 40 0 EGABMO COc1ccc2cc(C[N@@H+]3CCO[C@@H](c4nc(C)c[nH]4)C3)ccc2c1 ZINC000257247684 244261364 /nfs/dbraw/zinc/26/13/64/244261364.db2.gz JAAUYQKDZBWWKO-LJQANCHMSA-N 1 1 337.423 3.453 40 0 EGABMO COc1ccc2cc(C[N@H+]3CCO[C@@H](c4nc(C)c[nH]4)C3)ccc2c1 ZINC000257247684 244261370 /nfs/dbraw/zinc/26/13/70/244261370.db2.gz JAAUYQKDZBWWKO-LJQANCHMSA-N 1 1 337.423 3.453 40 0 EGABMO Cc1cc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cscn3)C2)on1 ZINC000072389429 203212858 /nfs/dbraw/zinc/21/28/58/203212858.db2.gz PQMAEFAVUKUSAT-LBPRGKRZSA-N 1 1 329.429 3.209 40 0 EGABMO Cc1cc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cscn3)C2)on1 ZINC000072389429 203212862 /nfs/dbraw/zinc/21/28/62/203212862.db2.gz PQMAEFAVUKUSAT-LBPRGKRZSA-N 1 1 329.429 3.209 40 0 EGABMO CC(C)c1ncc(C[NH+]2CC3(C2)CO[C@H](Cc2ccccc2)C3)cn1 ZINC000257270855 244375771 /nfs/dbraw/zinc/37/57/71/244375771.db2.gz MVXLQFMVAFLRNW-LJQANCHMSA-N 1 1 337.467 3.434 40 0 EGABMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(F)ccc1Br ZINC000046860243 204336776 /nfs/dbraw/zinc/33/67/76/204336776.db2.gz JUFSUFKRSMJUJJ-LLVKDONJSA-N 1 1 343.240 3.192 40 0 EGABMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000048309711 204346494 /nfs/dbraw/zinc/34/64/94/204346494.db2.gz ADKQBIMUXYEMLN-DGCLKSJQSA-N 1 1 345.270 3.361 40 0 EGABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccn4)C3)o2)cc1 ZINC000049170227 204370230 /nfs/dbraw/zinc/37/02/30/204370230.db2.gz RGNIVPCVUKEYCL-INIZCTEOSA-N 1 1 349.438 3.187 40 0 biogenic,in-vitro EGABMO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000129978503 205219741 /nfs/dbraw/zinc/21/97/41/205219741.db2.gz CRWFLEGRKVNBHW-SQWLQELKSA-N 1 1 334.426 3.198 40 0 EGABMO COc1ccccc1[C@H]([NH3+])C(=O)N(C)Cc1ccc(SC)cc1 ZINC000095427974 218369975 /nfs/dbraw/zinc/36/99/75/218369975.db2.gz AOLIQDFYUJONJE-KRWDZBQOSA-N 1 1 330.453 3.076 40 0 EGABMO CC(C)Oc1ncccc1C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000095420390 218360981 /nfs/dbraw/zinc/36/09/81/218360981.db2.gz IDBFDOIBLCBLPC-FATZIPQQSA-N 1 1 332.469 3.457 40 0 EGABMO C[C@@H](C[NH+]1CCOCC1)n1cncc1-c1ccc2c(c1)CC(C)(C)O2 ZINC000019719672 286849657 /nfs/dbraw/zinc/84/96/57/286849657.db2.gz QBRWMKWQCYOLCC-HNNXBMFYSA-N 1 1 341.455 3.157 40 0 EGABMO COc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000072227499 262491122 /nfs/dbraw/zinc/49/11/22/262491122.db2.gz PGBCKQVVCPMWNH-GJZGRUSLSA-N 1 1 336.313 3.129 40 0 EGABMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc4ccccc4n3)sc2C1 ZINC000021294956 276237480 /nfs/dbraw/zinc/23/74/80/276237480.db2.gz VAYZVBXPCDZEOW-UHFFFAOYSA-N 1 1 338.436 3.322 40 0 EGABMO CC[N@H+]1CCc2nc(NC(=O)c3ccc4ccccc4n3)sc2C1 ZINC000021294956 276237483 /nfs/dbraw/zinc/23/74/83/276237483.db2.gz VAYZVBXPCDZEOW-UHFFFAOYSA-N 1 1 338.436 3.322 40 0 EGABMO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C[NH+]1CC1 ZINC000118919318 300874473 /nfs/dbraw/zinc/87/44/73/300874473.db2.gz DHLGTTUFAHBXDS-DHGBTQKMSA-N 1 1 345.527 3.357 40 0 EGABMO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000249089474 455744276 /nfs/dbraw/zinc/74/42/76/455744276.db2.gz CRWFLEGRKVNBHW-FMKPAKJESA-N 1 1 334.426 3.198 40 0 EGABMO Cn1c2ccccc2nc1[C@@H]([NH2+]CCn1ccnc1)c1ccccc1 ZINC000125983258 323218014 /nfs/dbraw/zinc/21/80/14/323218014.db2.gz GLRPKXFQWIEWPP-IBGZPJMESA-N 1 1 331.423 3.149 40 0 EGABMO CCn1cncc1C[N@@H+](CCCn1ccnc1)C[C@@H]1CC=CCC1 ZINC000012116598 453344423 /nfs/dbraw/zinc/34/44/23/453344423.db2.gz KNPBYXYUUBXCAW-GOSISDBHSA-N 1 1 327.476 3.348 40 0 EGABMO O[C@@]1(c2cccnc2)CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@@H]21 ZINC000012337144 453357765 /nfs/dbraw/zinc/35/77/65/453357765.db2.gz YHQYVBJFVDONSK-ADLFWFRXSA-N 1 1 344.405 3.480 40 0 EGABMO C[N@H+](CCC(=O)Nc1ccccc1)CC(=O)Nc1ccc(Cl)cc1 ZINC000014185390 453515071 /nfs/dbraw/zinc/51/50/71/453515071.db2.gz UKFVUOBDOFAIJG-UHFFFAOYSA-N 1 1 345.830 3.239 40 0 EGABMO C[N@@H+](CCC(=O)Nc1ccccc1)CC(=O)Nc1ccc(Cl)cc1 ZINC000014185390 453515079 /nfs/dbraw/zinc/51/50/79/453515079.db2.gz UKFVUOBDOFAIJG-UHFFFAOYSA-N 1 1 345.830 3.239 40 0 EGABMO CCOc1ccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000044080798 454088577 /nfs/dbraw/zinc/08/85/77/454088577.db2.gz UGNAMKKJFLQNHS-OAHLLOKOSA-N 1 1 335.517 3.494 40 0 EGABMO CC[C@H]1[N@@H+](Cc2ccsc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096045694 454267874 /nfs/dbraw/zinc/26/78/74/454267874.db2.gz JBFOSICVZPLISV-AEFFLSMTSA-N 1 1 336.501 3.130 40 0 EGABMO Fc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)cc1 ZINC000096048254 454271595 /nfs/dbraw/zinc/27/15/95/454271595.db2.gz MYFJIVPLFJRIFS-UXHICEINSA-N 1 1 342.414 3.423 40 0 EGABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccco1)CC2 ZINC000096051574 454273221 /nfs/dbraw/zinc/27/32/21/454273221.db2.gz JDLJSUCATREACL-QGZVFWFLSA-N 1 1 328.412 3.389 40 0 EGABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccsc2)[C@@H]2CCCO[C@H]12 ZINC000096056369 454274010 /nfs/dbraw/zinc/27/40/10/454274010.db2.gz AAZZDJKIJNZQSU-KURKYZTESA-N 1 1 332.469 3.205 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)o1 ZINC000096056433 454274279 /nfs/dbraw/zinc/27/42/79/454274279.db2.gz RWWAZNRHVGVUKQ-VAMGGRTRSA-N 1 1 342.439 3.322 40 0 EGABMO c1csc(C[N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000096055288 454274925 /nfs/dbraw/zinc/27/49/25/454274925.db2.gz WZXVJEOOMLPWFT-YTQUADARSA-N 1 1 344.480 3.339 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000096055288 454274928 /nfs/dbraw/zinc/27/49/28/454274928.db2.gz WZXVJEOOMLPWFT-YTQUADARSA-N 1 1 344.480 3.339 40 0 EGABMO Cc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000072227272 454275305 /nfs/dbraw/zinc/27/53/05/454275305.db2.gz WMQMBOIESGTOOL-HUUCEWRRSA-N 1 1 331.213 3.173 40 0 EGABMO COc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000072227779 454276333 /nfs/dbraw/zinc/27/63/33/454276333.db2.gz CJJZHUWIUZMGDX-GJZGRUSLSA-N 1 1 337.206 3.417 40 0 EGABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000072228015 454276598 /nfs/dbraw/zinc/27/65/98/454276598.db2.gz NMEQOPGLCFICEN-HOTGVXAUSA-N 1 1 345.240 3.427 40 0 EGABMO Cn1cc(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)cn1 ZINC000096061586 454277096 /nfs/dbraw/zinc/27/70/96/454277096.db2.gz MJJLYZBYXDPRBV-VQTJNVASSA-N 1 1 325.456 3.032 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)co1 ZINC000096065148 454278611 /nfs/dbraw/zinc/27/86/11/454278611.db2.gz QUVPMDXGNAYNCP-PMACEKPBSA-N 1 1 342.439 3.263 40 0 EGABMO c1cc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)co1 ZINC000096107276 454284497 /nfs/dbraw/zinc/28/44/97/454284497.db2.gz OYCYFZUESIUJOF-MOPGFXCFSA-N 1 1 328.412 3.015 40 0 EGABMO CCCC[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072341113 454293882 /nfs/dbraw/zinc/29/38/82/454293882.db2.gz IUJOUIOLFLMBJD-FUHIMQAGSA-N 1 1 329.440 3.342 40 0 EGABMO Cc1nc([C@@H]2CCCC[N@H+]2C2CCCCC2)ncc1C(=O)N(C)C ZINC000072345469 454294597 /nfs/dbraw/zinc/29/45/97/454294597.db2.gz QBNZPHQBUIEBPF-KRWDZBQOSA-N 1 1 330.476 3.347 40 0 EGABMO Cc1cccc(COC[C@@H]2CC[C@H]3[C@H](CC[N@H+]3Cc3ccoc3)O2)n1 ZINC000096186149 454299342 /nfs/dbraw/zinc/29/93/42/454299342.db2.gz GIPAFTZGVGMWPU-UFYCRDLUSA-N 1 1 342.439 3.322 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4ccncc4)CC[C@@H]32)o1 ZINC000096186782 454299517 /nfs/dbraw/zinc/29/95/17/454299517.db2.gz MDIJGYVFDULARM-AABGKKOBSA-N 1 1 342.439 3.322 40 0 EGABMO Cc1ncsc1CN1CCC2(CC[C@@H](COCC3CC3)[N@@H+]2C)CC1 ZINC000096208239 454303995 /nfs/dbraw/zinc/30/39/95/454303995.db2.gz GWNQZFVECXOLSM-KRWDZBQOSA-N 1 1 349.544 3.307 40 0 EGABMO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4ccccn4)C3)CC2=O)s1 ZINC000096239330 454310769 /nfs/dbraw/zinc/31/07/69/454310769.db2.gz LMBUHRUMMLSLSD-GOSISDBHSA-N 1 1 327.453 3.081 40 0 EGABMO Cc1csc([C@H](C)NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000078925544 454337502 /nfs/dbraw/zinc/33/75/02/454337502.db2.gz GUGISWAMHIICCC-CABCVRRESA-N 1 1 346.500 3.332 40 0 EGABMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccncc1 ZINC000096423828 454338137 /nfs/dbraw/zinc/33/81/37/454338137.db2.gz AIILQPUFXWFDEI-UHFFFAOYSA-N 1 1 335.407 3.237 40 0 EGABMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccncc1 ZINC000096423828 454338140 /nfs/dbraw/zinc/33/81/40/454338140.db2.gz AIILQPUFXWFDEI-UHFFFAOYSA-N 1 1 335.407 3.237 40 0 EGABMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000096445617 454352768 /nfs/dbraw/zinc/35/27/68/454352768.db2.gz WRAJMOWYQWEXMX-QGZVFWFLSA-N 1 1 343.402 3.223 40 0 EGABMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000096445617 454352771 /nfs/dbraw/zinc/35/27/71/454352771.db2.gz WRAJMOWYQWEXMX-QGZVFWFLSA-N 1 1 343.402 3.223 40 0 EGABMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)C1 ZINC000096453138 454356368 /nfs/dbraw/zinc/35/63/68/454356368.db2.gz WWOKHSIMNGWOCN-ZDUSSCGKSA-N 1 1 345.472 3.011 40 0 EGABMO Cc1cc(N2CCC(NC(=O)CC3=CCCCC3)CC2)nc(C)[nH+]1 ZINC000096454894 454357322 /nfs/dbraw/zinc/35/73/22/454357322.db2.gz MBHPBPGPFZNBOE-UHFFFAOYSA-N 1 1 328.460 3.069 40 0 EGABMO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCc2ccncc2)C1 ZINC000096483689 454366284 /nfs/dbraw/zinc/36/62/84/454366284.db2.gz AESKDEZQMFYFSU-IAGOWNOFSA-N 1 1 336.357 3.451 40 0 EGABMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485952 454367368 /nfs/dbraw/zinc/36/73/68/454367368.db2.gz VVDGXOFOBHDJBH-GUYCJALGSA-N 1 1 347.821 3.297 40 0 EGABMO C[N@H+]1CC[C@@H](CNC(=O)c2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485952 454367372 /nfs/dbraw/zinc/36/73/72/454367372.db2.gz VVDGXOFOBHDJBH-GUYCJALGSA-N 1 1 347.821 3.297 40 0 EGABMO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cn1nc3c(cc1=O)CCCCC3)C2 ZINC000079484239 454422809 /nfs/dbraw/zinc/42/28/09/454422809.db2.gz DZWMAWMXAMFXIX-JXFKEZNVSA-N 1 1 329.488 3.370 40 0 EGABMO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cn1nc3c(cc1=O)CCCCC3)C2 ZINC000079484239 454422813 /nfs/dbraw/zinc/42/28/13/454422813.db2.gz DZWMAWMXAMFXIX-JXFKEZNVSA-N 1 1 329.488 3.370 40 0 EGABMO OC[C@H](C1CC1)[N@@H+](Cc1cn2ccsc2n1)Cc1ccccc1 ZINC000097229696 454427705 /nfs/dbraw/zinc/42/77/05/454427705.db2.gz MOKIJOSURRPPQE-QGZVFWFLSA-N 1 1 327.453 3.169 40 0 EGABMO CCc1noc([C@H](C)N2CC[NH+](C/C(C)=C/c3ccccc3)CC2)n1 ZINC000121394108 454430084 /nfs/dbraw/zinc/43/00/84/454430084.db2.gz RCJAWTICUGBYTE-ZQHZRZASSA-N 1 1 340.471 3.414 40 0 EGABMO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](CC2=CCCOC2)CC1 ZINC000092709873 454615799 /nfs/dbraw/zinc/61/57/99/454615799.db2.gz NHFVJBKHHQBRTM-UHFFFAOYSA-N 1 1 349.862 3.226 40 0 EGABMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cn1)c1cccc(NS(C)(=O)=O)c1 ZINC000092742284 454624099 /nfs/dbraw/zinc/62/40/99/454624099.db2.gz CQCGJSIBMOWRHQ-VXGBXAGGSA-N 1 1 337.420 3.004 40 0 EGABMO CCN(C(=O)Cc1cccnc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000110600456 454848525 /nfs/dbraw/zinc/84/85/25/454848525.db2.gz SFLZGBKELHZEKC-YLJYHZDGSA-N 1 1 337.467 3.308 40 0 EGABMO COc1ccc([C@@H]2[C@@H](CNC(=O)c3ccoc3)CCC[N@H+]2C)cc1 ZINC000110595904 454848640 /nfs/dbraw/zinc/84/86/40/454848640.db2.gz KHUKBMRDWWBWLO-CRAIPNDOSA-N 1 1 328.412 3.101 40 0 EGABMO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246393369 455482011 /nfs/dbraw/zinc/48/20/11/455482011.db2.gz PGQPCSVQHUHEHL-UGFHNGPFSA-N 1 1 326.362 3.052 40 0 EGABMO Cc1cnc([C@H]([NH2+]Cc2cccc(C(=O)N(C)C)c2)C2CC2)s1 ZINC000185357086 455547242 /nfs/dbraw/zinc/54/72/42/455547242.db2.gz WNCHCLUOEOSNNH-MRXNPFEDSA-N 1 1 329.469 3.394 40 0 EGABMO C[N@@H+](Cc1csc(-c2ccccn2)n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000248116009 455681501 /nfs/dbraw/zinc/68/15/01/455681501.db2.gz LMHLJPDKPLJGFO-FVQBIDKESA-N 1 1 329.469 3.450 40 0 EGABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(C(=O)c3cccs3)C[C@@H]12 ZINC000248166181 455692695 /nfs/dbraw/zinc/69/26/95/455692695.db2.gz ZWCRZQUNDFXQRC-MJGOQNOKSA-N 1 1 326.465 3.236 40 0 EGABMO CCN1CC[C@H]([NH2+]Cc2nnc(C)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252527445 455820318 /nfs/dbraw/zinc/82/03/18/455820318.db2.gz COYYMYVXDBEGFC-GOEBONIOSA-N 1 1 338.814 3.096 40 0 EGABMO COC[C@@H](C)C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000187091046 455870000 /nfs/dbraw/zinc/87/00/00/455870000.db2.gz PFHMTVSESNIZMK-AWEZNQCLSA-N 1 1 339.867 3.162 40 0 EGABMO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257313162 455888687 /nfs/dbraw/zinc/88/86/87/455888687.db2.gz URFZSCOPSZMJHM-CYBMUJFWSA-N 1 1 340.456 3.011 40 0 EGABMO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257313162 455888691 /nfs/dbraw/zinc/88/86/91/455888691.db2.gz URFZSCOPSZMJHM-CYBMUJFWSA-N 1 1 340.456 3.011 40 0 EGABMO C[C@]12C[C@@H](c3ccccc3)[N@@H+](Cc3ccncc3)[C@H]1CCCC(=O)N2 ZINC000257311573 455889105 /nfs/dbraw/zinc/88/91/05/455889105.db2.gz UKCPACOTFQMEEI-ZJOUEHCJSA-N 1 1 335.451 3.456 40 0 EGABMO CCOc1ccc(/C=C/C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000195529031 455979909 /nfs/dbraw/zinc/97/99/09/455979909.db2.gz FRFZDVQIRQFWMO-MIJBNRBISA-N 1 1 330.472 3.335 40 0 EGABMO Cc1c2cc(F)ccc2oc1CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000272711968 456048740 /nfs/dbraw/zinc/04/87/40/456048740.db2.gz HSWFKNWYSZWWJS-ZDUSSCGKSA-N 1 1 345.418 3.330 40 0 EGABMO COc1ccc(CCC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000223261026 456055237 /nfs/dbraw/zinc/05/52/37/456055237.db2.gz CETJBXQXUUFAFY-MRXNPFEDSA-N 1 1 332.488 3.174 40 0 EGABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)COc2cccc3c2CCCC3)C1 ZINC000225414343 456081170 /nfs/dbraw/zinc/08/11/70/456081170.db2.gz DXBZUYDVBVFTSY-QGZVFWFLSA-N 1 1 344.499 3.182 40 0 EGABMO Cc1[nH+]ccn1CCCCNC(=O)N1CCc2cc(Cl)ccc2C1 ZINC000189261620 456266335 /nfs/dbraw/zinc/26/63/35/456266335.db2.gz RAEKQBMVSMHSNO-UHFFFAOYSA-N 1 1 346.862 3.393 40 0 EGABMO c1nc2n(c1-c1ccccc1)C[C@H]1C[N@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306138270 456567320 /nfs/dbraw/zinc/56/73/20/456567320.db2.gz RTVCZACNJSGRPG-RTBURBONSA-N 1 1 330.435 3.249 40 0 EGABMO CCCc1cc(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)sc1C ZINC000328747619 456750806 /nfs/dbraw/zinc/75/08/06/456750806.db2.gz LTCBFEMXVRAMNM-UHFFFAOYSA-N 1 1 346.500 3.141 40 0 EGABMO COCC[C@@H]1Cn2cccc2C[N@@H+](CCOCc2ccccc2)C1 ZINC000585095279 459822078 /nfs/dbraw/zinc/82/20/78/459822078.db2.gz NEHAJNZZFINCEP-IBGZPJMESA-N 1 1 328.456 3.173 40 0 EGABMO CCCC[N@H+]1CCC[C@]2(CCC(=O)N2Cc2c(C)noc2C)CC1 ZINC000585099914 459822854 /nfs/dbraw/zinc/82/28/54/459822854.db2.gz YDMITGCDRTXLGN-IBGZPJMESA-N 1 1 333.476 3.439 40 0 EGABMO CC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3cc(C)on3)[C@H]2C1 ZINC000585109760 459824942 /nfs/dbraw/zinc/82/49/42/459824942.db2.gz QBXOXIVBAVVPRH-SJIKZXFPSA-N 1 1 339.439 3.282 40 0 EGABMO CC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3cc(C)on3)[C@H]2C1 ZINC000585109761 459825155 /nfs/dbraw/zinc/82/51/55/459825155.db2.gz QBXOXIVBAVVPRH-VIXHLQAQSA-N 1 1 339.439 3.282 40 0 EGABMO Fc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCc1cccnc1)CS2 ZINC000585105333 459825176 /nfs/dbraw/zinc/82/51/76/459825176.db2.gz UDSBCMNWCIUSCR-QGZVFWFLSA-N 1 1 344.455 3.497 40 0 EGABMO Cc1cc(C)c(C)c(OC[C@@]2(O)COCC[N@H+](C3CCCCC3)C2)c1 ZINC000585283566 459832360 /nfs/dbraw/zinc/83/23/60/459832360.db2.gz RYNBGRNVLRJFIZ-NRFANRHFSA-N 1 1 347.499 3.387 40 0 EGABMO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]C3CCN(C(C)C)CC3)[C@H]2O)c1 ZINC000585289167 459833216 /nfs/dbraw/zinc/83/32/16/459833216.db2.gz NGLWDNYTZUFXFI-PWRODBHTSA-N 1 1 346.515 3.118 40 0 EGABMO CCn1nccc1C[N@@H+](C)[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585289403 459833288 /nfs/dbraw/zinc/83/32/88/459833288.db2.gz QPZFSUUKTWHBSC-XUVXKRRUSA-N 1 1 343.471 3.004 40 0 EGABMO C[N@H+](C(c1ccccc1)c1ccccc1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000575419587 459973154 /nfs/dbraw/zinc/97/31/54/459973154.db2.gz VZILMSXEIXVPGN-IBGZPJMESA-N 1 1 329.465 3.285 40 0 EGABMO C[N@@H+](C(c1ccccc1)c1ccccc1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000575419587 459973159 /nfs/dbraw/zinc/97/31/59/459973159.db2.gz VZILMSXEIXVPGN-IBGZPJMESA-N 1 1 329.465 3.285 40 0 EGABMO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1nccnc1C)O[C@H](C)C2 ZINC000187709074 528340492 /nfs/dbraw/zinc/34/04/92/528340492.db2.gz AQKLROLCJXWWNY-OCCSQVGLSA-N 1 1 327.428 3.358 40 0 EGABMO CC1CCC([N@@H+](C)CC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000053837157 214201625 /nfs/dbraw/zinc/20/16/25/214201625.db2.gz UAEJVLPQYUOBQU-UHFFFAOYSA-N 1 1 343.471 3.262 40 0 EGABMO C[N@H+](Cc1ccccc1)C[C@@H](O)COCC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000007063406 201712575 /nfs/dbraw/zinc/71/25/75/201712575.db2.gz JGQVYNOGQITPDG-ZCNNSNEGSA-N 1 1 329.484 3.488 40 0 EGABMO C[NH2+]C1CCC2(CC1)CN(Cc1ccccn1)Cc1ccccc1O2 ZINC000019591992 202012727 /nfs/dbraw/zinc/01/27/27/202012727.db2.gz SYDREEZOOVWOOU-UHFFFAOYSA-N 1 1 337.467 3.377 40 0 EGABMO CCOC(=O)c1ccc(NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000040049540 202166676 /nfs/dbraw/zinc/16/66/76/202166676.db2.gz MREAOJRNFRFMKQ-HNNXBMFYSA-N 1 1 347.459 3.249 40 0 EGABMO CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](CC)C1 ZINC000028252243 202168027 /nfs/dbraw/zinc/16/80/27/202168027.db2.gz MYNOUXJLOHVSMQ-DNVCBOLYSA-N 1 1 337.467 3.296 40 0 EGABMO CCOCCCC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000078152405 202394145 /nfs/dbraw/zinc/39/41/45/202394145.db2.gz VWWPWKVDWMIFOC-HZPDHXFCSA-N 1 1 334.460 3.051 40 0 EGABMO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(Br)o1)c1ccccc1 ZINC000191464689 239128610 /nfs/dbraw/zinc/12/86/10/239128610.db2.gz WDOBFLMDKUFXHI-YJYMSZOUSA-N 1 1 342.258 3.252 40 0 EGABMO FC(F)(F)c1ccc(CN2CCC[N@@H+](C[C@H]3CCOC3)CC2)cc1 ZINC000330033286 201363251 /nfs/dbraw/zinc/36/32/51/201363251.db2.gz YQPPKPJTNYWJCP-MRXNPFEDSA-N 1 1 342.405 3.250 40 0 EGABMO Cc1ccc(C(=O)Nc2cccc(CNCC[NH+]3CCCC3)c2)cc1 ZINC000023480230 212380368 /nfs/dbraw/zinc/38/03/68/212380368.db2.gz ZBIXGVSTNGDVFS-UHFFFAOYSA-N 1 1 337.467 3.433 40 0 EGABMO O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000225804744 242045384 /nfs/dbraw/zinc/04/53/84/242045384.db2.gz CZUHJYVSZLKYSQ-SFHVURJKSA-N 1 1 341.455 3.307 40 0 EGABMO c1cc2n(n1)[C@@H](CCOCc1ccccn1)C[N@H+](C1CCCC1)C2 ZINC000253588886 244027880 /nfs/dbraw/zinc/02/78/80/244027880.db2.gz XYFUJUFKNMQIBF-IBGZPJMESA-N 1 1 326.444 3.184 40 0 EGABMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1coc2ccccc12 ZINC000092585444 203086693 /nfs/dbraw/zinc/08/66/93/203086693.db2.gz MUZQIRJRVNQBRA-CYBMUJFWSA-N 1 1 344.436 3.273 40 0 EGABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2ncc(C)s2)C1 ZINC000257223978 244193988 /nfs/dbraw/zinc/19/39/88/244193988.db2.gz DZTIXJPVWIOGCM-AWEZNQCLSA-N 1 1 332.473 3.007 40 0 EGABMO Cc1cc(C[C@@H]2COCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)ncn1 ZINC000257227929 244207705 /nfs/dbraw/zinc/20/77/05/244207705.db2.gz FRPAVBJKZLTXDL-HNNXBMFYSA-N 1 1 349.837 3.269 40 0 EGABMO Cc1cc(C[C@@H]2COCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)ncn1 ZINC000257227929 244207713 /nfs/dbraw/zinc/20/77/13/244207713.db2.gz FRPAVBJKZLTXDL-HNNXBMFYSA-N 1 1 349.837 3.269 40 0 EGABMO Cc1cc(-c2cncnc2[C@H]2CCC[N@H+](Cc3cscn3)C2)on1 ZINC000072334669 203202570 /nfs/dbraw/zinc/20/25/70/203202570.db2.gz PUBRVHSZAAMNNX-ZDUSSCGKSA-N 1 1 341.440 3.276 40 0 EGABMO Cc1cc(-c2cncnc2[C@H]2CCC[N@@H+](Cc3cscn3)C2)on1 ZINC000072334669 203202573 /nfs/dbraw/zinc/20/25/73/203202573.db2.gz PUBRVHSZAAMNNX-ZDUSSCGKSA-N 1 1 341.440 3.276 40 0 EGABMO O[C@]1(c2ccc(F)cc2)CCC[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000072340437 203202901 /nfs/dbraw/zinc/20/29/01/203202901.db2.gz JYZMRAZKRRPYGD-DBVUQKKJSA-N 1 1 326.415 3.340 40 0 EGABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cc1 ZINC000072355444 203204339 /nfs/dbraw/zinc/20/43/39/203204339.db2.gz DYLDDWCYTGEHCU-MRXNPFEDSA-N 1 1 337.402 3.181 40 0 EGABMO Cn1cncc1C[NH+]1CCC(c2nccnc2Oc2ccccc2)CC1 ZINC000072363154 203206354 /nfs/dbraw/zinc/20/63/54/203206354.db2.gz CLQYFFAJPQQWHE-UHFFFAOYSA-N 1 1 349.438 3.382 40 0 EGABMO COCC[N@H+]1CCC[C@@H](c2cncc(Oc3ccccc3OC)n2)C1 ZINC000072361793 203206544 /nfs/dbraw/zinc/20/65/44/203206544.db2.gz RXWURUKYECKVEB-OAHLLOKOSA-N 1 1 343.427 3.103 40 0 EGABMO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cnc(C)nc2)n1 ZINC000072366764 203208118 /nfs/dbraw/zinc/20/81/18/203208118.db2.gz RUUVNRMNGONUBH-GOSISDBHSA-N 1 1 334.427 3.011 40 0 EGABMO Cc1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cnc(C)nc2)n1 ZINC000072366764 203208120 /nfs/dbraw/zinc/20/81/20/203208120.db2.gz RUUVNRMNGONUBH-GOSISDBHSA-N 1 1 334.427 3.011 40 0 EGABMO Cc1cccc(N2CCC[C@@H](NC(=O)CCc3cccs3)C2)[nH+]1 ZINC000257248298 244262354 /nfs/dbraw/zinc/26/23/54/244262354.db2.gz JDAMBPSZFHBIRC-OAHLLOKOSA-N 1 1 329.469 3.169 40 0 EGABMO CCOC(=O)c1c2c(sc1-n1c(C)cc(C=O)c1C)C[N@@H+](C)CC2 ZINC000020131625 212104127 /nfs/dbraw/zinc/10/41/27/212104127.db2.gz MJFJXVKGKDSIJT-UHFFFAOYSA-N 1 1 346.452 3.133 40 0 EGABMO CCOC(=O)c1c2c(sc1-n1c(C)cc(C=O)c1C)C[N@H+](C)CC2 ZINC000020131625 212104129 /nfs/dbraw/zinc/10/41/29/212104129.db2.gz MJFJXVKGKDSIJT-UHFFFAOYSA-N 1 1 346.452 3.133 40 0 EGABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(C)n2)cc1CO ZINC000257266000 244362022 /nfs/dbraw/zinc/36/20/22/244362022.db2.gz MBEPKGADLJAXBU-GOSISDBHSA-N 1 1 327.428 3.013 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)cc1 ZINC000107751988 204247823 /nfs/dbraw/zinc/24/78/23/204247823.db2.gz BSSPCZNYZFNVOZ-RTWAWAEBSA-N 1 1 345.483 3.493 40 0 EGABMO Cn1cncc1-c1nnc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)o1 ZINC000049170442 204369226 /nfs/dbraw/zinc/36/92/26/204369226.db2.gz OFFLEJIXSGGNPG-ZDUSSCGKSA-N 1 1 343.818 3.113 40 0 biogenic,in-vitro EGABMO CS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000110646107 220050959 /nfs/dbraw/zinc/05/09/59/220050959.db2.gz PQZVUHZHPRKMHH-YNEHKIRRSA-N 1 1 338.439 3.003 40 0 EGABMO COC(=O)c1ccc(C[N@@H+](C)C2CCN(c3ccccn3)CC2)s1 ZINC000095411644 218349196 /nfs/dbraw/zinc/34/91/96/218349196.db2.gz VTQLXSDRBQSDBZ-UHFFFAOYSA-N 1 1 345.468 3.031 40 0 EGABMO COc1cccc([C@H]2[C@@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)c1 ZINC000072227517 262491102 /nfs/dbraw/zinc/49/11/02/262491102.db2.gz LKQZRPIPUCPULM-CABCVRRESA-N 1 1 336.313 3.129 40 0 EGABMO c1coc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC000096057055 275074485 /nfs/dbraw/zinc/07/44/85/275074485.db2.gz BUNNGOZKQABPMI-MJGOQNOKSA-N 1 1 328.412 3.125 40 0 EGABMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000113266099 323216267 /nfs/dbraw/zinc/21/62/67/323216267.db2.gz WKULRCIQXPXTAM-AWEZNQCLSA-N 1 1 348.878 3.192 40 0 EGABMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc[nH]c3C)CC[N@H+]2C2CC2)c1 ZINC000183255353 455262283 /nfs/dbraw/zinc/26/22/83/455262283.db2.gz ANAFSCMZWPJOLC-RBUKOAKNSA-N 1 1 339.439 3.040 40 0 EGABMO Cc1[nH]nc2ncc(NC(=O)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000240278328 455263891 /nfs/dbraw/zinc/26/38/91/455263891.db2.gz DQMJJHVSTCCIJS-MRXNPFEDSA-N 1 1 349.438 3.117 40 0 EGABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000013582384 453472799 /nfs/dbraw/zinc/47/27/99/453472799.db2.gz HPDJKTNEBXVILF-UHFFFAOYSA-N 1 1 338.451 3.352 40 0 EGABMO Cc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1Cl ZINC000013965148 453495922 /nfs/dbraw/zinc/49/59/22/453495922.db2.gz YXSKZFMLSFQHLL-INIZCTEOSA-N 1 1 339.867 3.127 40 0 EGABMO C[N@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)C1CCCC1 ZINC000019589204 453657611 /nfs/dbraw/zinc/65/76/11/453657611.db2.gz XATOLWKZEFLATN-GUDVDZBRSA-N 1 1 330.447 3.405 40 0 EGABMO C[C@H](CNC(=O)CCc1cccs1)[N@@H+]1CCc2sccc2C1 ZINC000031963345 453859597 /nfs/dbraw/zinc/85/95/97/453859597.db2.gz PFHGLIOIFUACJN-CYBMUJFWSA-N 1 1 334.510 3.305 40 0 EGABMO C[C@H](CNC(=O)CCc1cccs1)[N@H+]1CCc2sccc2C1 ZINC000031963345 453859601 /nfs/dbraw/zinc/85/96/01/453859601.db2.gz PFHGLIOIFUACJN-CYBMUJFWSA-N 1 1 334.510 3.305 40 0 EGABMO Cc1ccc2nc(C[N@H+]3CCC[C@H]3c3cccc(F)c3)cc(=O)n2c1 ZINC000053717963 453893619 /nfs/dbraw/zinc/89/36/19/453893619.db2.gz XSNRGZXXGONGGH-SFHVURJKSA-N 1 1 337.398 3.479 40 0 EGABMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000036699934 453929305 /nfs/dbraw/zinc/92/93/05/453929305.db2.gz SUHRNJDQAXRHBB-IBGZPJMESA-N 1 1 330.472 3.147 40 0 EGABMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000036699934 453929307 /nfs/dbraw/zinc/92/93/07/453929307.db2.gz SUHRNJDQAXRHBB-IBGZPJMESA-N 1 1 330.472 3.147 40 0 EGABMO CC[NH+]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000055169676 453967352 /nfs/dbraw/zinc/96/73/52/453967352.db2.gz KMVXUMBEMTWSSQ-UHFFFAOYSA-N 1 1 347.846 3.092 40 0 EGABMO Cc1cc(N2CCC(Nc3ccnc4ccncc43)CC2)nc(C)[nH+]1 ZINC000085689739 454037335 /nfs/dbraw/zinc/03/73/35/454037335.db2.gz FQQIUVCSEFJKFS-UHFFFAOYSA-N 1 1 334.427 3.118 40 0 EGABMO Cc1nc(COC[C@@]23CCCO[C@H]2CC[N@@H+](CC2CC2)C3)cs1 ZINC000096040154 454266616 /nfs/dbraw/zinc/26/66/16/454266616.db2.gz VGKOROHGTRPXKC-ROUUACIJSA-N 1 1 336.501 3.249 40 0 EGABMO O=C(NCc1cccs1)[C@H]1CO[C@H]2CC[N@H+](C3CCCC3)C[C@H]2C1 ZINC000096042665 454268342 /nfs/dbraw/zinc/26/83/42/454268342.db2.gz KPFXUZSBXKWIJE-RKVPGOIHSA-N 1 1 348.512 3.034 40 0 EGABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000072227208 454274777 /nfs/dbraw/zinc/27/47/77/454274777.db2.gz VHXSPYHBLSWLKL-ZIAGYGMSSA-N 1 1 335.176 3.003 40 0 EGABMO Cc1cccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Br)cc2)c1 ZINC000072227410 454274976 /nfs/dbraw/zinc/27/49/76/454274976.db2.gz CAQDNOQPAMOWBN-LSDHHAIUSA-N 1 1 331.213 3.173 40 0 EGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000072227457 454275158 /nfs/dbraw/zinc/27/51/58/454275158.db2.gz PCIIFDBHQDVFBZ-CABCVRRESA-N 1 1 331.213 3.173 40 0 EGABMO Cc1[nH+]c(N2CCOCC2)ccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072219622 454275747 /nfs/dbraw/zinc/27/57/47/454275747.db2.gz VCRHPWVBOREKGS-INIZCTEOSA-N 1 1 347.459 3.299 40 0 EGABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(C(=O)c3cccs3)C[C@H]12 ZINC000096058431 454275851 /nfs/dbraw/zinc/27/58/51/454275851.db2.gz ZWCRZQUNDFXQRC-HKUYNNGSSA-N 1 1 326.465 3.236 40 0 EGABMO COc1cccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000072227772 454276280 /nfs/dbraw/zinc/27/62/80/454276280.db2.gz WCJYOGMQYJECQY-HUUCEWRRSA-N 1 1 337.206 3.417 40 0 EGABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)c1cccs1)[C@@H]2C ZINC000096061996 454278026 /nfs/dbraw/zinc/27/80/26/454278026.db2.gz HQOGTEILRDWEDL-CYBMUJFWSA-N 1 1 332.473 3.002 40 0 EGABMO Cc1ccsc1C[N@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC000096109017 454286135 /nfs/dbraw/zinc/28/61/35/454286135.db2.gz SWJRMBCBANPNJV-APWZRJJASA-N 1 1 344.480 3.117 40 0 EGABMO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccs2)n1 ZINC000096186524 454298955 /nfs/dbraw/zinc/29/89/55/454298955.db2.gz JCGJLVVULYJXSB-QZTJIDSGSA-N 1 1 341.480 3.217 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2ccc(F)cc2)o1 ZINC000096184700 454299398 /nfs/dbraw/zinc/29/93/98/454299398.db2.gz BERIAMSAXKSUQQ-RBUKOAKNSA-N 1 1 342.414 3.145 40 0 EGABMO Cc1nc(C[N@@H+]2CCC[C@@]3(C[C@H](Nc4ccccn4)CO3)C2)cs1 ZINC000096222925 454309275 /nfs/dbraw/zinc/30/92/75/454309275.db2.gz QVHISMZMIDJTDG-MAUKXSAKSA-N 1 1 344.484 3.082 40 0 EGABMO Cc1nc(C[N@H+]2CCC[C@@]3(C[C@H](Nc4ccccn4)CO3)C2)cs1 ZINC000096222925 454309280 /nfs/dbraw/zinc/30/92/80/454309280.db2.gz QVHISMZMIDJTDG-MAUKXSAKSA-N 1 1 344.484 3.082 40 0 EGABMO Cc1nc(-c2ccccn2)sc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000060669934 454310232 /nfs/dbraw/zinc/31/02/32/454310232.db2.gz DDTPRKJOWQQMTR-ZDUSSCGKSA-N 1 1 344.484 3.118 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccccc2)C[C@]12CCN(c1ncccn1)C2 ZINC000096239683 454311998 /nfs/dbraw/zinc/31/19/98/454311998.db2.gz DAKBFDRGPWJNAT-SFHVURJKSA-N 1 1 344.409 3.214 40 0 EGABMO CCc1ccc(C[N@H+]2CCc3ncnc(-c4cccnc4)c3CC2)o1 ZINC000096255312 454312740 /nfs/dbraw/zinc/31/27/40/454312740.db2.gz FYAFTMKLZJLBHX-UHFFFAOYSA-N 1 1 334.423 3.295 40 0 EGABMO Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2c(C)nn(C)c2C)o1 ZINC000096415006 454331600 /nfs/dbraw/zinc/33/16/00/454331600.db2.gz CGKZAJCPWCZLTB-MRXNPFEDSA-N 1 1 344.459 3.494 40 0 EGABMO Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2c(C)nn(C)c2C)o1 ZINC000096415006 454331607 /nfs/dbraw/zinc/33/16/07/454331607.db2.gz CGKZAJCPWCZLTB-MRXNPFEDSA-N 1 1 344.459 3.494 40 0 EGABMO Cc1nccn1Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC000096427197 454340554 /nfs/dbraw/zinc/34/05/54/454340554.db2.gz UICMZCRIEZLHII-LJQANCHMSA-N 1 1 340.471 3.441 40 0 EGABMO CCc1c(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cnn1CC(C)C ZINC000096499598 454371100 /nfs/dbraw/zinc/37/11/00/454371100.db2.gz PXAHANOUXZAAQS-CRAIPNDOSA-N 1 1 347.507 3.050 40 0 EGABMO O[C@H](C[C@@H]1CCCCC[N@H+]1CCC1OCCO1)c1cccs1 ZINC000097094913 454405009 /nfs/dbraw/zinc/40/50/09/454405009.db2.gz RSJQWERZEXESLK-LSDHHAIUSA-N 1 1 325.474 3.179 40 0 EGABMO O[C@H](C[C@H]1CCCCC[N@H+]1CCC1OCCO1)c1cccs1 ZINC000097094915 454405440 /nfs/dbraw/zinc/40/54/40/454405440.db2.gz RSJQWERZEXESLK-HUUCEWRRSA-N 1 1 325.474 3.179 40 0 EGABMO C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000080086817 454531218 /nfs/dbraw/zinc/53/12/18/454531218.db2.gz OWQNMEZCTUYOIS-LSDHHAIUSA-N 1 1 346.446 3.168 40 0 EGABMO C[NH+](C)[C@@H](C(=O)NCCOc1ccccc1Cl)c1ccccc1 ZINC000164293630 454879121 /nfs/dbraw/zinc/87/91/21/454879121.db2.gz DPRYMRGHWSLACJ-QGZVFWFLSA-N 1 1 332.831 3.138 40 0 EGABMO Cc1cc(F)c(Br)cc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000190898651 455400288 /nfs/dbraw/zinc/40/02/88/455400288.db2.gz AJYGJDWFDPMYNZ-UHFFFAOYSA-N 1 1 344.228 3.066 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)s1 ZINC000248113293 455681483 /nfs/dbraw/zinc/68/14/83/455681483.db2.gz RMXYOZYULYJJFG-OALUTQOASA-N 1 1 343.496 3.321 40 0 EGABMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12Cc1ccccc1C2=O ZINC000248322753 455704109 /nfs/dbraw/zinc/70/41/09/455704109.db2.gz WWALFQLIWFZCOO-DENIHFKCSA-N 1 1 349.430 3.107 40 0 EGABMO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(Br)cs1 ZINC000194071913 455798855 /nfs/dbraw/zinc/79/88/55/455798855.db2.gz NNZHCIGRMSOXCV-PSASIEDQSA-N 1 1 327.251 3.288 40 0 EGABMO C[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000253418511 455843197 /nfs/dbraw/zinc/84/31/97/455843197.db2.gz SISXWYHCAQGLEF-FRYIKTPZSA-N 1 1 344.499 3.097 40 0 EGABMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257228444 455879818 /nfs/dbraw/zinc/87/98/18/455879818.db2.gz FTWPIPXVXMWAMZ-CYBMUJFWSA-N 1 1 325.441 3.226 40 0 EGABMO CNc1cnc(C[C@H]2CCC[N@@H+](Cc3scnc3C)CC2)cn1 ZINC000257297340 455885266 /nfs/dbraw/zinc/88/52/66/455885266.db2.gz RGVNCSYQXQTIGS-AWEZNQCLSA-N 1 1 331.489 3.128 40 0 EGABMO CNc1cncc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257304058 455886463 /nfs/dbraw/zinc/88/64/63/455886463.db2.gz SJXCVDCHXRBQKC-CQSZACIVSA-N 1 1 340.456 3.307 40 0 EGABMO CNc1cncc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257304058 455886467 /nfs/dbraw/zinc/88/64/67/455886467.db2.gz SJXCVDCHXRBQKC-CQSZACIVSA-N 1 1 340.456 3.307 40 0 EGABMO Cc1cccc(N2CCC[C@H](N(C)C(=O)Cc3cccs3)C2)[nH+]1 ZINC000257305745 455887906 /nfs/dbraw/zinc/88/79/06/455887906.db2.gz SRIFLWCGZMRQEG-HNNXBMFYSA-N 1 1 329.469 3.121 40 0 EGABMO c1ccc(CC[N@H+]2CC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000257307658 455888151 /nfs/dbraw/zinc/88/81/51/455888151.db2.gz SZSIPAMLZQIJMG-KRWDZBQOSA-N 1 1 346.438 3.042 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)n1 ZINC000257314314 455888905 /nfs/dbraw/zinc/88/89/05/455888905.db2.gz UWJRVUBUMXPENO-MRXNPFEDSA-N 1 1 348.454 3.025 40 0 EGABMO COc1ncc(C[N@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257320949 455890387 /nfs/dbraw/zinc/89/03/87/455890387.db2.gz VZLJEBMJLJMQRX-HNNXBMFYSA-N 1 1 334.423 3.098 40 0 EGABMO CNc1cnc(C[C@@H]2CCC[N@@H+](Cc3ccnn3C(C)C)CC2)cn1 ZINC000257329582 455892561 /nfs/dbraw/zinc/89/25/61/455892561.db2.gz XKOSGBALKXNPSP-MRXNPFEDSA-N 1 1 342.491 3.141 40 0 EGABMO Fc1ccc(Nc2cccc([C@@H]3C[N@H+](CC4CC4)CCO3)n2)nc1 ZINC000257330316 455893032 /nfs/dbraw/zinc/89/30/32/455893032.db2.gz XNWAXOJMHSTZKD-INIZCTEOSA-N 1 1 328.391 3.143 40 0 EGABMO Fc1ccc(Nc2cccc([C@@H]3C[N@@H+](CC4CC4)CCO3)n2)nc1 ZINC000257330316 455893040 /nfs/dbraw/zinc/89/30/40/455893040.db2.gz XNWAXOJMHSTZKD-INIZCTEOSA-N 1 1 328.391 3.143 40 0 EGABMO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2F)nc1 ZINC000257336697 455894657 /nfs/dbraw/zinc/89/46/57/455894657.db2.gz YPQDJRNZNYWHOB-LJQANCHMSA-N 1 1 327.403 3.194 40 0 EGABMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2F)nc1 ZINC000257336697 455894659 /nfs/dbraw/zinc/89/46/59/455894659.db2.gz YPQDJRNZNYWHOB-LJQANCHMSA-N 1 1 327.403 3.194 40 0 EGABMO CC(=O)Nc1ccc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000195552260 455983237 /nfs/dbraw/zinc/98/32/37/455983237.db2.gz SJBMPBACTOFJLE-MGPUTAFESA-N 1 1 338.455 3.363 40 0 EGABMO CCCC[C@@H](C)C(=O)Nc1ccc(CCN2CC[NH+](C)CC2)cc1 ZINC000225692446 456104065 /nfs/dbraw/zinc/10/40/65/456104065.db2.gz ASAIRWNPADFDRV-QGZVFWFLSA-N 1 1 331.504 3.241 40 0 EGABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(Cc3ccc4ccccc4n3)C2)C1 ZINC000585103087 459824191 /nfs/dbraw/zinc/82/41/91/459824191.db2.gz PTBCBYGJZZPANP-QGZVFWFLSA-N 1 1 339.483 3.168 40 0 EGABMO Cc1cc(C[NH+]2CCC3(CC(NC(=O)OC4CCCC4)C3)CC2)n[nH]1 ZINC000585102927 459824263 /nfs/dbraw/zinc/82/42/63/459824263.db2.gz IZBHBPYRUQLYHX-UHFFFAOYSA-N 1 1 346.475 3.132 40 0 EGABMO Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+]3C[C@H]3CCCO3)C2)c(C)c1 ZINC000585102046 459824500 /nfs/dbraw/zinc/82/45/00/459824500.db2.gz OPLGIKQLYLIBCZ-NQIIRXRSSA-N 1 1 342.483 3.163 40 0 EGABMO Cc1cccc(OC[C@]2(O)COCC[N@H+](C3CCCCCC3)C2)c1 ZINC000585276018 459831904 /nfs/dbraw/zinc/83/19/04/459831904.db2.gz LBJXFTZCJLAOLJ-HXUWFJFHSA-N 1 1 333.472 3.160 40 0 EGABMO CCc1ncc(C[N@H+]2CC[C@H](O)[C@H](Cc3ccc(Cl)cc3)C2)cn1 ZINC000585279209 459831959 /nfs/dbraw/zinc/83/19/59/459831959.db2.gz XEPBHINMLSIKAO-AEFFLSMTSA-N 1 1 345.874 3.118 40 0 EGABMO Cc1ccccc1OC[C@]1(O)COCC[N@H+](C2CCCCCC2)C1 ZINC000585276411 459832351 /nfs/dbraw/zinc/83/23/51/459832351.db2.gz OJDSMCWWMTZFAX-HXUWFJFHSA-N 1 1 333.472 3.160 40 0 EGABMO CC(C)c1ccc2ncnc(NC3CC([NH+]4CCOCC4)C3)c2c1 ZINC000624331483 460962410 /nfs/dbraw/zinc/96/24/10/460962410.db2.gz BFNUTVQHWRFWKU-UHFFFAOYSA-N 1 1 326.444 3.028 40 0 EGABMO CC(C)O[C@H]1CCCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000624349375 460971991 /nfs/dbraw/zinc/97/19/91/460971991.db2.gz KIBORKFWKZDQLL-SFHVURJKSA-N 1 1 338.455 3.391 40 0 EGABMO CC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1cc3ccccc3o1)CCO2 ZINC000306125561 547459692 /nfs/dbraw/zinc/45/96/92/547459692.db2.gz CUAXIOAGDQJIFP-PMACEKPBSA-N 1 1 342.439 3.083 40 0 EGABMO CC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1cc3ccccc3o1)CCO2 ZINC000306125561 547459695 /nfs/dbraw/zinc/45/96/95/547459695.db2.gz CUAXIOAGDQJIFP-PMACEKPBSA-N 1 1 342.439 3.083 40 0 EGABMO COCCn1ccnc1[C@@H]1C[N@@H+](Cc2cccnc2)Cc2ccccc21 ZINC000306128489 547459803 /nfs/dbraw/zinc/45/98/03/547459803.db2.gz HBNDUEMRHWWPOW-HXUWFJFHSA-N 1 1 348.450 3.072 40 0 EGABMO CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019499274 202008757 /nfs/dbraw/zinc/00/87/57/202008757.db2.gz ZNYTWEUOPIDIIV-NVXWUHKLSA-N 1 1 344.484 3.018 40 0 EGABMO Cc1ccc(-n2cc(C[NH+]3CCC(Oc4cnccn4)CC3)cn2)cc1 ZINC000019659067 202014960 /nfs/dbraw/zinc/01/49/60/202014960.db2.gz JGDIGFUXQVAQNI-UHFFFAOYSA-N 1 1 349.438 3.014 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)cc1Cc1c(C)noc1C ZINC000036740613 202330851 /nfs/dbraw/zinc/33/08/51/202330851.db2.gz IBMUQVSENUPZIY-YJYMSZOUSA-N 1 1 344.455 3.094 40 0 EGABMO CC(C)(C)OC(=O)N1CC([NH2+]Cc2ccccc2Br)C1 ZINC000071335894 202345667 /nfs/dbraw/zinc/34/56/67/202345667.db2.gz PZQUJYMIZOTTQC-UHFFFAOYSA-N 1 1 341.249 3.158 40 0 EGABMO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2cc(C)nn2C(C)(C)C)n1 ZINC000072662999 202364712 /nfs/dbraw/zinc/36/47/12/202364712.db2.gz NDQAHICKWSLCML-UHFFFAOYSA-N 1 1 349.504 3.175 40 0 EGABMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)/C=C/c1ccncc1 ZINC000077140381 202384577 /nfs/dbraw/zinc/38/45/77/202384577.db2.gz RHFOZEKTCMDBOH-BLGFXRMMSA-N 1 1 335.451 3.218 40 0 EGABMO Cc1[nH+]ccn1CCCNC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000077547214 202392599 /nfs/dbraw/zinc/39/25/99/202392599.db2.gz RNYNJFLDWADMMG-CVEARBPZSA-N 1 1 332.835 3.090 40 0 EGABMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccc(C2CC2)cc1 ZINC000191621371 239215386 /nfs/dbraw/zinc/21/53/86/239215386.db2.gz VTZBSRFYURGFPG-IBGZPJMESA-N 1 1 338.455 3.443 40 0 EGABMO COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000230192454 242247967 /nfs/dbraw/zinc/24/79/67/242247967.db2.gz QNVQELPUXOIYMT-XYJFISCASA-N 1 1 345.487 3.190 40 0 EGABMO c1csc(C[N@H+]2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)c1 ZINC000253588813 244025121 /nfs/dbraw/zinc/02/51/21/244025121.db2.gz UANJHQDFWZZSGJ-HNNXBMFYSA-N 1 1 339.468 3.084 40 0 EGABMO c1csc(C[N@@H+]2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)c1 ZINC000253588813 244025128 /nfs/dbraw/zinc/02/51/28/244025128.db2.gz UANJHQDFWZZSGJ-HNNXBMFYSA-N 1 1 339.468 3.084 40 0 EGABMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000092101253 203078540 /nfs/dbraw/zinc/07/85/40/203078540.db2.gz UKUGDTPUYUGQFY-GFCCVEGCSA-N 1 1 332.341 3.145 40 0 EGABMO Cc1nn(C)c2nc([C@@]3(C)CCC[N@@H+](Cc4cccnc4)C3)ccc12 ZINC000257204927 244130946 /nfs/dbraw/zinc/13/09/46/244130946.db2.gz AWWZLHBDLPFOLV-FQEVSTJZSA-N 1 1 335.455 3.225 40 0 EGABMO CN1CC[N@H+](C2CCCCC2)C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257203460 244125936 /nfs/dbraw/zinc/12/59/36/244125936.db2.gz AQDIUEVXWJDGBS-QGZVFWFLSA-N 1 1 338.499 3.369 40 0 EGABMO Cc1cc2ccccc2n1CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000257207554 244141060 /nfs/dbraw/zinc/14/10/60/244141060.db2.gz BIHIOEMCASOOLV-RTBURBONSA-N 1 1 325.456 3.035 40 0 EGABMO c1nc(C[N@H+]2CCOC[C@H](Cc3ccc4ncccc4c3)C2)cs1 ZINC000257211527 244154034 /nfs/dbraw/zinc/15/40/34/244154034.db2.gz BZFHAHYIBKPJRS-MRXNPFEDSA-N 1 1 339.464 3.382 40 0 EGABMO c1nc(C[N@@H+]2CCOC[C@H](Cc3ccc4ncccc4c3)C2)cs1 ZINC000257211527 244154046 /nfs/dbraw/zinc/15/40/46/244154046.db2.gz BZFHAHYIBKPJRS-MRXNPFEDSA-N 1 1 339.464 3.382 40 0 EGABMO Cc1nn(C)c2nc([C@@]3(C)CCC[N@@H+](Cc4ccccn4)C3)ccc12 ZINC000257211907 244154671 /nfs/dbraw/zinc/15/46/71/244154671.db2.gz CAZYASNACIGGGL-FQEVSTJZSA-N 1 1 335.455 3.225 40 0 EGABMO COCCC(=O)N1CCC[C@@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1 ZINC000072372547 203209143 /nfs/dbraw/zinc/20/91/43/203209143.db2.gz XGCXZOQUONBAJB-QGZVFWFLSA-N 1 1 340.427 3.229 40 0 EGABMO COCCC(=O)N1CCC[C@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1 ZINC000072372546 203209486 /nfs/dbraw/zinc/20/94/86/203209486.db2.gz XGCXZOQUONBAJB-KRWDZBQOSA-N 1 1 340.427 3.229 40 0 EGABMO Cc1nc(Nc2ncccn2)cc([C@H]2CC[N@@H+](CC(C)(C)C)C2)n1 ZINC000072383654 203209939 /nfs/dbraw/zinc/20/99/39/203209939.db2.gz ZUFRRCDDEWCBIY-AWEZNQCLSA-N 1 1 326.448 3.154 40 0 EGABMO Cc1ccc(Cc2cccc([C@H]3CCC[N@H+]3CC(=O)N(C)C)n2)cc1 ZINC000072357951 203205526 /nfs/dbraw/zinc/20/55/26/203205526.db2.gz RPGRTWLXGDLWBK-HXUWFJFHSA-N 1 1 337.467 3.206 40 0 EGABMO Cc1ccc(Cc2cccc([C@H]3CCC[N@@H+]3CC(=O)N(C)C)n2)cc1 ZINC000072357951 203205528 /nfs/dbraw/zinc/20/55/28/203205528.db2.gz RPGRTWLXGDLWBK-HXUWFJFHSA-N 1 1 337.467 3.206 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)cc1 ZINC000257250657 244268658 /nfs/dbraw/zinc/26/86/58/244268658.db2.gz JNLJHLPONJITHU-HXUWFJFHSA-N 1 1 339.439 3.063 40 0 EGABMO C[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000072392329 203213235 /nfs/dbraw/zinc/21/32/35/203213235.db2.gz BHLAEYKCMVHKLF-CYBMUJFWSA-N 1 1 325.391 3.305 40 0 EGABMO C[C@H]1c2ncc(COCc3cccnc3)n2CC[N@@H+]1C1CCCC1 ZINC000096109863 203837170 /nfs/dbraw/zinc/83/71/70/203837170.db2.gz KWKJQMPEVGMFOA-HNNXBMFYSA-N 1 1 326.444 3.314 40 0 EGABMO C[C@H]1c2ncc(COCc3cccnc3)n2CC[N@H+]1C1CCCC1 ZINC000096109863 203837173 /nfs/dbraw/zinc/83/71/73/203837173.db2.gz KWKJQMPEVGMFOA-HNNXBMFYSA-N 1 1 326.444 3.314 40 0 EGABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@@H+](CC(C)C)C3)nc2c1 ZINC000049169125 204370126 /nfs/dbraw/zinc/37/01/26/204370126.db2.gz VPYMZWFNVAOBOR-ZDUSSCGKSA-N 1 1 336.457 3.067 40 0 biogenic,in-vitro EGABMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(OCC4CC4)cc3)[C@@H]2C1 ZINC000191451221 533441719 /nfs/dbraw/zinc/44/17/19/533441719.db2.gz DJYZYXDULUFRIZ-VAMGGRTRSA-N 1 1 331.456 3.244 40 0 EGABMO CC[N@@H+]1CC[C@@H](NCc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000414544609 309087730 /nfs/dbraw/zinc/08/77/30/309087730.db2.gz PECXYSHZTWPPPJ-MRXNPFEDSA-N 1 1 332.879 3.326 40 0 EGABMO CC[N@H+]1CC[C@@H](NCc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000414544609 309087731 /nfs/dbraw/zinc/08/77/31/309087731.db2.gz PECXYSHZTWPPPJ-MRXNPFEDSA-N 1 1 332.879 3.326 40 0 EGABMO Cc1c(-c2cc(C[N@H+]3CCC[C@@H](c4ccncc4)C3)on2)cnn1C ZINC000295704698 308352308 /nfs/dbraw/zinc/35/23/08/308352308.db2.gz FPWCEZOCQZEHJU-MRXNPFEDSA-N 1 1 337.427 3.158 40 0 EGABMO C[C@H](NC(=O)N1CCSCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189866674 455248255 /nfs/dbraw/zinc/24/82/55/455248255.db2.gz VBHPEOIHMOPGNC-OWCLPIDISA-N 1 1 339.549 3.176 40 0 EGABMO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+](CCO)Cc1ccccc1 ZINC000002694325 452714961 /nfs/dbraw/zinc/71/49/61/452714961.db2.gz STGDNMJDWDAYQL-IBGZPJMESA-N 1 1 343.467 3.044 40 0 EGABMO CSc1ccc(C[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000007495457 453081789 /nfs/dbraw/zinc/08/17/89/453081789.db2.gz ZPRWPAXBDUPAAV-UHFFFAOYSA-N 1 1 340.448 3.137 40 0 EGABMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000007579535 453088288 /nfs/dbraw/zinc/08/82/88/453088288.db2.gz VFQIOGRXSHSNAP-RHSMWYFYSA-N 1 1 338.879 3.346 40 0 EGABMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000007579535 453088295 /nfs/dbraw/zinc/08/82/95/453088295.db2.gz VFQIOGRXSHSNAP-RHSMWYFYSA-N 1 1 338.879 3.346 40 0 EGABMO O=C1N[C@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)Nc2ccccc21 ZINC000012086056 453345027 /nfs/dbraw/zinc/34/50/27/453345027.db2.gz PURXELHQIVUYIF-MMOPVJDHSA-N 1 1 333.435 3.080 40 0 EGABMO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)C[C@H]2CC=CCC2)n1 ZINC000012186001 453347285 /nfs/dbraw/zinc/34/72/85/453347285.db2.gz CPLVJSANCGWLTC-OALUTQOASA-N 1 1 343.471 3.312 40 0 EGABMO Cc1cnc2[nH]c(C(F)(F)F)c(C[N@H+]3CCC[C@@H](CO)C3)c2c1 ZINC000012223073 453350140 /nfs/dbraw/zinc/35/01/40/453350140.db2.gz NUAPISDAFLGIFR-LLVKDONJSA-N 1 1 327.350 3.094 40 0 EGABMO CCC(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CCC[C@@H](C)C3)ccc21 ZINC000012291553 453353242 /nfs/dbraw/zinc/35/32/42/453353242.db2.gz RJWUXZLTVUFXQN-BEFAXECRSA-N 1 1 330.472 3.141 40 0 EGABMO O[C@]1(c2cccnc2)CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@@H]21 ZINC000012337139 453357085 /nfs/dbraw/zinc/35/70/85/453357085.db2.gz SWBIKSIPDQMZTB-LIVBEALHSA-N 1 1 344.405 3.480 40 0 EGABMO COc1cccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000013547793 453470381 /nfs/dbraw/zinc/47/03/81/453470381.db2.gz HFHYMYXACHORIC-UHFFFAOYSA-N 1 1 326.465 3.189 40 0 EGABMO Cc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)cc1 ZINC000013569030 453472683 /nfs/dbraw/zinc/47/26/83/453472683.db2.gz MEXDATPIOIVAKZ-UHFFFAOYSA-N 1 1 339.483 3.115 40 0 EGABMO COc1ccc(C[N@@H+](Cc2ccoc2)C[C@@H]2CCCO2)cc1OC ZINC000013994166 453495953 /nfs/dbraw/zinc/49/59/53/453495953.db2.gz APVNXUJDRFUKMF-KRWDZBQOSA-N 1 1 331.412 3.478 40 0 EGABMO COc1ccc(C[N@H+](Cc2ccoc2)C[C@@H]2CCCO2)cc1OC ZINC000013994166 453495961 /nfs/dbraw/zinc/49/59/61/453495961.db2.gz APVNXUJDRFUKMF-KRWDZBQOSA-N 1 1 331.412 3.478 40 0 EGABMO C[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1COc2ccccc2O1 ZINC000016378829 453604827 /nfs/dbraw/zinc/60/48/27/453604827.db2.gz JMCSRWYWSOGAHZ-GOSISDBHSA-N 1 1 335.407 3.144 40 0 EGABMO COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@@](O)(c3ccccn3)[C@@H]2C1 ZINC000019133213 453654459 /nfs/dbraw/zinc/65/44/59/453654459.db2.gz KEIJZPQCLZFUQA-CDXJDZJCSA-N 1 1 338.451 3.128 40 0 EGABMO CNc1ncccc1CN1C[C@@H]2CCC[N@H+]2C[C@H]1Cc1ccccc1 ZINC000019592063 453657167 /nfs/dbraw/zinc/65/71/67/453657167.db2.gz PNUPCGUREBMULP-VQTJNVASSA-N 1 1 336.483 3.015 40 0 EGABMO COc1ccc(CCC(=O)N2CC[C@H]3[C@H]2CCCCC[N@H+]3C)cc1 ZINC000019712089 453658933 /nfs/dbraw/zinc/65/89/33/453658933.db2.gz PUPSSSITLPAJRR-RBUKOAKNSA-N 1 1 330.472 3.103 40 0 EGABMO S=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1ccccc1 ZINC000054943078 453954491 /nfs/dbraw/zinc/95/44/91/453954491.db2.gz JJAFXNJLAPDZGR-UHFFFAOYSA-N 1 1 341.480 3.005 40 0 EGABMO O[C@H](COCc1ccccc1Cl)C[N@H+]1CCc2ccccc2C1 ZINC000068048088 453991797 /nfs/dbraw/zinc/99/17/97/453991797.db2.gz UCRQLAFRTBZXLN-SFHVURJKSA-N 1 1 331.843 3.276 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)co1 ZINC000096040088 454266631 /nfs/dbraw/zinc/26/66/31/454266631.db2.gz CNHUYGNMIJEEPX-UXHICEINSA-N 1 1 342.439 3.263 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)s1 ZINC000096041784 454267167 /nfs/dbraw/zinc/26/71/67/454267167.db2.gz YFYJADCTCMUZQE-IPMKNSEASA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)s1 ZINC000096041784 454267170 /nfs/dbraw/zinc/26/71/70/454267170.db2.gz YFYJADCTCMUZQE-IPMKNSEASA-N 1 1 344.480 3.400 40 0 EGABMO COc1ccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4ccoc4)C3)C2)cc1 ZINC000096047607 454270343 /nfs/dbraw/zinc/27/03/43/454270343.db2.gz ALNHPADQVLGLED-PKOBYXMFSA-N 1 1 328.412 3.134 40 0 EGABMO Fc1ccc(CN2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096055152 454274388 /nfs/dbraw/zinc/27/43/88/454274388.db2.gz SKEOIBJYTBPYOI-AZUAARDMSA-N 1 1 344.405 3.302 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)o1 ZINC000096057067 454275444 /nfs/dbraw/zinc/27/54/44/454275444.db2.gz STWOGAGBXPFSIH-UYAOXDASSA-N 1 1 342.439 3.433 40 0 EGABMO c1csc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)c1 ZINC000096058341 454276303 /nfs/dbraw/zinc/27/63/03/454276303.db2.gz BOARSGJXQFIBAS-UFYCRDLUSA-N 1 1 340.492 3.351 40 0 EGABMO C[C@H]1C[N@@H+](Cc2ccsc2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000096061281 454276416 /nfs/dbraw/zinc/27/64/16/454276416.db2.gz UZJFZDCVTDGBPT-UCLAIMLFSA-N 1 1 348.512 3.034 40 0 EGABMO Cc1nc(COC[C@H]2CC[C@H]3[C@H](CC[N@H+]3Cc3ccoc3)O2)cs1 ZINC000096064806 454278702 /nfs/dbraw/zinc/27/87/02/454278702.db2.gz MRPJMKNULMCPRO-SQNIBIBYSA-N 1 1 348.468 3.383 40 0 EGABMO c1csc(C[N@H+]2CCO[C@H]3C[C@@H](COCc4cccnc4)C[C@@H]32)c1 ZINC000096082860 454280264 /nfs/dbraw/zinc/28/02/64/454280264.db2.gz KKDSSFMIYKMPFI-WDSOQIARSA-N 1 1 344.480 3.339 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3C[C@@H](COCc4cccnc4)C[C@@H]32)c1 ZINC000096082860 454280268 /nfs/dbraw/zinc/28/02/68/454280268.db2.gz KKDSSFMIYKMPFI-WDSOQIARSA-N 1 1 344.480 3.339 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)s1 ZINC000096072511 454280454 /nfs/dbraw/zinc/28/04/54/454280454.db2.gz LTLFTHGJBMNQKT-FUHWJXTLSA-N 1 1 330.453 3.264 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](Cc3ccncc3)CC[C@H]2OC)cc1 ZINC000096110237 454286225 /nfs/dbraw/zinc/28/62/25/454286225.db2.gz HNOUKBKHHYFUOK-AZUAARDMSA-N 1 1 326.440 3.170 40 0 EGABMO Cc1noc(C)c1C[N@@H+]1C[C@@H](C)[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096201769 454303084 /nfs/dbraw/zinc/30/30/84/454303084.db2.gz FOOVQNJBYUTZRJ-KZULUSFZSA-N 1 1 345.468 3.228 40 0 EGABMO Cc1noc(C)c1CN1CCC[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096215981 454305155 /nfs/dbraw/zinc/30/51/55/454305155.db2.gz NLQWLXFOUMHJBC-LJQANCHMSA-N 1 1 329.444 3.373 40 0 EGABMO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC000096215981 454305159 /nfs/dbraw/zinc/30/51/59/454305159.db2.gz NLQWLXFOUMHJBC-LJQANCHMSA-N 1 1 329.444 3.373 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC000096215981 454305163 /nfs/dbraw/zinc/30/51/63/454305163.db2.gz NLQWLXFOUMHJBC-LJQANCHMSA-N 1 1 329.444 3.373 40 0 EGABMO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C)s1)C2 ZINC000096218493 454306732 /nfs/dbraw/zinc/30/67/32/454306732.db2.gz FXTNJINXNBLFDT-MJGOQNOKSA-N 1 1 334.529 3.237 40 0 EGABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C)s1)C2 ZINC000096218493 454306737 /nfs/dbraw/zinc/30/67/37/454306737.db2.gz FXTNJINXNBLFDT-MJGOQNOKSA-N 1 1 334.529 3.237 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@@]3(CCCN(c4ccccn4)C3)C2)c1 ZINC000096226372 454308506 /nfs/dbraw/zinc/30/85/06/454308506.db2.gz UTJPCEZKOSTZEA-SFHVURJKSA-N 1 1 329.469 3.015 40 0 EGABMO c1csc(C[N@H+]2CCO[C@@]3(CCCN(c4ccccn4)C3)C2)c1 ZINC000096226372 454308509 /nfs/dbraw/zinc/30/85/09/454308509.db2.gz UTJPCEZKOSTZEA-SFHVURJKSA-N 1 1 329.469 3.015 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@H]3C2)o1 ZINC000096251717 454313454 /nfs/dbraw/zinc/31/34/54/454313454.db2.gz WMTPVIRYBUDQRR-FHWLQOOXSA-N 1 1 339.439 3.130 40 0 EGABMO C[N@H+]1CCC[C@]2(CN(Cc3ccc(C(F)(F)F)cc3)CCO2)C1 ZINC000096268594 454314854 /nfs/dbraw/zinc/31/48/54/454314854.db2.gz QCBSLZJODUVFDU-MRXNPFEDSA-N 1 1 328.378 3.002 40 0 EGABMO Cc1[nH+]ccn1CCCC(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000096407884 454325245 /nfs/dbraw/zinc/32/52/45/454325245.db2.gz ONKLSHCLHUPAOC-SFHVURJKSA-N 1 1 343.471 3.119 40 0 EGABMO CCc1ncc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)s1 ZINC000096419575 454335626 /nfs/dbraw/zinc/33/56/26/454335626.db2.gz KCSCCHNBOBBIGJ-UHFFFAOYSA-N 1 1 328.441 3.430 40 0 EGABMO CC(C)c1nn(C)c(Cl)c1C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000096423591 454337620 /nfs/dbraw/zinc/33/76/20/454337620.db2.gz XRBVGEWNFAZWEN-ZDUSSCGKSA-N 1 1 340.899 3.049 40 0 EGABMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccs1 ZINC000096432960 454343432 /nfs/dbraw/zinc/34/34/32/454343432.db2.gz SHCZGKCBHFTESB-QGZVFWFLSA-N 1 1 328.481 3.271 40 0 EGABMO CCOC(=O)N1CCC([NH2+][C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000096494317 454371085 /nfs/dbraw/zinc/37/10/85/454371085.db2.gz VEQGTWNNNURFEI-CYBMUJFWSA-N 1 1 344.415 3.008 40 0 EGABMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1cccc(NS(C)(=O)=O)c1 ZINC000092742281 454624242 /nfs/dbraw/zinc/62/42/42/454624242.db2.gz CQCGJSIBMOWRHQ-NEPJUHHUSA-N 1 1 337.420 3.004 40 0 EGABMO C[C@H](CNC(=O)c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000109034228 454820095 /nfs/dbraw/zinc/82/00/95/454820095.db2.gz LLAZDTFCIPMRPW-CHWSQXEVSA-N 1 1 339.277 3.299 40 0 EGABMO CCc1nc(C(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c[nH]1 ZINC000110665057 454851256 /nfs/dbraw/zinc/85/12/56/454851256.db2.gz RXBKRUBEGBTBHF-NVXWUHKLSA-N 1 1 340.471 3.270 40 0 EGABMO CCc1ncc(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[nH]1 ZINC000110665057 454851260 /nfs/dbraw/zinc/85/12/60/454851260.db2.gz RXBKRUBEGBTBHF-NVXWUHKLSA-N 1 1 340.471 3.270 40 0 EGABMO CCc1ncc(C(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[nH]1 ZINC000110665057 454851263 /nfs/dbraw/zinc/85/12/63/454851263.db2.gz RXBKRUBEGBTBHF-NVXWUHKLSA-N 1 1 340.471 3.270 40 0 EGABMO COCc1nc(CNc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)no1 ZINC000182492615 455524947 /nfs/dbraw/zinc/52/49/47/455524947.db2.gz GNCUTXSVIGXMHX-CYBMUJFWSA-N 1 1 330.432 3.188 40 0 EGABMO Cc1c([C@H](C)[NH2+][C@@H](C)c2nccn2C)cnn1-c1ccc(F)cc1 ZINC000182671662 455565648 /nfs/dbraw/zinc/56/56/48/455565648.db2.gz BJKIWNCTJVCHQA-STQMWFEESA-N 1 1 327.407 3.465 40 0 EGABMO Cc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000247482873 455609757 /nfs/dbraw/zinc/60/97/57/455609757.db2.gz SWSJASRWIZTGPB-QFBILLFUSA-N 1 1 343.496 3.193 40 0 EGABMO Cc1ncsc1C[N@H+]1Cc2cccn2C[C@H](Oc2cccnc2)C1 ZINC000247998877 455667684 /nfs/dbraw/zinc/66/76/84/455667684.db2.gz BHGWSAYOZLMMEX-QGZVFWFLSA-N 1 1 340.452 3.111 40 0 EGABMO Cc1ncsc1C[N@@H+]1Cc2cccn2C[C@H](Oc2cccnc2)C1 ZINC000247998877 455667686 /nfs/dbraw/zinc/66/76/86/455667686.db2.gz BHGWSAYOZLMMEX-QGZVFWFLSA-N 1 1 340.452 3.111 40 0 EGABMO CCc1onc(C)c1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248941407 455739697 /nfs/dbraw/zinc/73/96/97/455739697.db2.gz YUHVTNHFIVRUPX-CZUORRHYSA-N 1 1 342.443 3.187 40 0 EGABMO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1nc(C)cs1)CC2 ZINC000253418692 455843404 /nfs/dbraw/zinc/84/34/04/455843404.db2.gz BEHPOVVNGBTKKL-UHFFFAOYSA-N 1 1 348.468 3.078 40 0 EGABMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1nc(C)cs1)CC2 ZINC000253418692 455843408 /nfs/dbraw/zinc/84/34/08/455843408.db2.gz BEHPOVVNGBTKKL-UHFFFAOYSA-N 1 1 348.468 3.078 40 0 EGABMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccsc3)[C@@H](C)C2)s1 ZINC000253420373 455844072 /nfs/dbraw/zinc/84/40/72/455844072.db2.gz WMAIVLFPQZWZTA-XHDPSFHLSA-N 1 1 335.498 3.153 40 0 EGABMO Cc1nccc(CN2CC[N@H+](C)[C@@H](c3ccc(OC(C)C)cc3)C2)n1 ZINC000257262558 455879791 /nfs/dbraw/zinc/87/97/91/455879791.db2.gz LLXGMWHMAODHMB-HXUWFJFHSA-N 1 1 340.471 3.061 40 0 EGABMO Cc1nccc(CN2CC[N@@H+](C)[C@@H](c3ccc(OC(C)C)cc3)C2)n1 ZINC000257262558 455879798 /nfs/dbraw/zinc/87/97/98/455879798.db2.gz LLXGMWHMAODHMB-HXUWFJFHSA-N 1 1 340.471 3.061 40 0 EGABMO C[N@H+]1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1cc2ccc(F)cc2[nH]1 ZINC000257205448 455880156 /nfs/dbraw/zinc/88/01/56/455880156.db2.gz AZCDNASIOWEOGQ-QZTJIDSGSA-N 1 1 329.419 3.396 40 0 EGABMO CN(C)c1cccc(CC[C@H]2CCCC[N@H+]2CC2CCOCC2)n1 ZINC000257331540 455893491 /nfs/dbraw/zinc/89/34/91/455893491.db2.gz XTHVAPRFRNQDKH-LJQANCHMSA-N 1 1 331.504 3.361 40 0 EGABMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccco1 ZINC000195552393 455983619 /nfs/dbraw/zinc/98/36/19/455983619.db2.gz NFZAZTFUNYIKFF-GDBMZVCRSA-N 1 1 327.428 3.150 40 0 EGABMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000211262868 456022074 /nfs/dbraw/zinc/02/20/74/456022074.db2.gz BEODXIGPQVXJIN-FOZYCNAUSA-N 1 1 329.465 3.248 40 0 EGABMO c1cc(-c2ccc3nc([C@H]4CCC[N@H+](CC5CC5)C4)nn3c2)ccn1 ZINC000306144113 456569804 /nfs/dbraw/zinc/56/98/04/456569804.db2.gz YWISOWQPYCDBDJ-SFHVURJKSA-N 1 1 333.439 3.381 40 0 EGABMO Cc1cc(NC[C@@H]2CCC[N@H+](C(C)C)C2)nc(-c2cccnc2)n1 ZINC000299375090 456671911 /nfs/dbraw/zinc/67/19/11/456671911.db2.gz LUDHYWLNWNVGFX-INIZCTEOSA-N 1 1 325.460 3.379 40 0 EGABMO C[C@@H]1CCN(C(=O)c2c[nH]c3cccnc23)CC[N@H+]1Cc1ccccc1 ZINC000329891225 456957002 /nfs/dbraw/zinc/95/70/02/456957002.db2.gz HNTIHDUOHLPEBV-MRXNPFEDSA-N 1 1 348.450 3.300 40 0 EGABMO c1cc(C[N@@H+]2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)cs1 ZINC000585094090 459822120 /nfs/dbraw/zinc/82/21/20/459822120.db2.gz GSELNYPECBOYFO-SQNIBIBYSA-N 1 1 330.453 3.092 40 0 EGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccccn1)Cc1cccnc1NC ZINC000019527197 202009763 /nfs/dbraw/zinc/00/97/63/202009763.db2.gz BLRIHZZDFBLDBT-LJQANCHMSA-N 1 1 339.487 3.005 40 0 EGABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)Cc1ccccn1 ZINC000019527134 202010550 /nfs/dbraw/zinc/01/05/50/202010550.db2.gz SFBPPTOXGPFJQW-IBGZPJMESA-N 1 1 325.456 3.274 40 0 EGABMO COc1ccc(-c2cc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)[nH]n2)cc1 ZINC000019557940 202011295 /nfs/dbraw/zinc/01/12/95/202011295.db2.gz NQLCZQIEKQHEHX-QGZVFWFLSA-N 1 1 334.423 3.470 40 0 EGABMO COc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C)C2)c(C(C)(C)C)c1 ZINC000035031463 213005447 /nfs/dbraw/zinc/00/54/47/213005447.db2.gz SGTHNUUVQVXDIQ-HOTGVXAUSA-N 1 1 335.488 3.464 40 0 EGABMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccncc3F)cc2)C1 ZINC000073303554 202369619 /nfs/dbraw/zinc/36/96/19/202369619.db2.gz LDNACMOLVHANQH-AWEZNQCLSA-N 1 1 343.402 3.194 40 0 EGABMO CC[NH+]1CCN([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1 ZINC000023467807 212377783 /nfs/dbraw/zinc/37/77/83/212377783.db2.gz YCCYMBINLZEPAC-HXUWFJFHSA-N 1 1 337.467 3.312 40 0 EGABMO c1cc(C[N@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cs1 ZINC000253598673 244032099 /nfs/dbraw/zinc/03/20/99/244032099.db2.gz QHWOBKKISRRGJY-ULQDDVLXSA-N 1 1 330.453 3.202 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cs1 ZINC000253598673 244032104 /nfs/dbraw/zinc/03/21/04/244032104.db2.gz QHWOBKKISRRGJY-ULQDDVLXSA-N 1 1 330.453 3.202 40 0 EGABMO COc1ccccc1[C@@H]1C[N@H+](Cc2cccs2)CCN1C(C)=O ZINC000257215427 244163853 /nfs/dbraw/zinc/16/38/53/244163853.db2.gz CQBDWVDNHNBQSB-KRWDZBQOSA-N 1 1 330.453 3.162 40 0 EGABMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cccs2)CCN1C(C)=O ZINC000257215427 244163862 /nfs/dbraw/zinc/16/38/62/244163862.db2.gz CQBDWVDNHNBQSB-KRWDZBQOSA-N 1 1 330.453 3.162 40 0 EGABMO c1cc(C[C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n[nH]1 ZINC000257232646 244216579 /nfs/dbraw/zinc/21/65/79/244216579.db2.gz GLVABZNWDDCADE-INIZCTEOSA-N 1 1 333.439 3.321 40 0 EGABMO c1ccc(Nc2nccc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)nc1 ZINC000072377616 203209770 /nfs/dbraw/zinc/20/97/70/203209770.db2.gz USFIJUBQJCCXFN-KRWDZBQOSA-N 1 1 332.411 3.347 40 0 EGABMO c1ccc(Nc2nccc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)nc1 ZINC000072377616 203209772 /nfs/dbraw/zinc/20/97/72/203209772.db2.gz USFIJUBQJCCXFN-KRWDZBQOSA-N 1 1 332.411 3.347 40 0 EGABMO c1cncc(Oc2nccnc2[C@@H]2CCC[N@@H+](C3CCOCC3)C2)c1 ZINC000072384251 203210733 /nfs/dbraw/zinc/21/07/33/203210733.db2.gz GUWHMBUXCIMZMS-OAHLLOKOSA-N 1 1 340.427 3.022 40 0 EGABMO c1ccc(C[N@H+]2CCC[C@H](c3nccnc3Oc3cccnc3)C2)nc1 ZINC000072383640 203211151 /nfs/dbraw/zinc/21/11/51/203211151.db2.gz SQXFKTJPHNGIJS-INIZCTEOSA-N 1 1 347.422 3.439 40 0 EGABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(c3ccnc(C)n3)C2)n1 ZINC000072355701 203204869 /nfs/dbraw/zinc/20/48/69/203204869.db2.gz PXWOPORYJQFIPG-MRXNPFEDSA-N 1 1 334.427 3.058 40 0 EGABMO Cc1sc2c([C@@H]3CCC[N@H+](Cc4cnn(C)c4)C3)nc(C)n2c1C ZINC000072351265 203205505 /nfs/dbraw/zinc/20/55/05/203205505.db2.gz KQNVVLPPBRSSGB-MRXNPFEDSA-N 1 1 343.500 3.434 40 0 EGABMO Cn1cncc1-c1cncc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257262892 244353429 /nfs/dbraw/zinc/35/34/29/244353429.db2.gz LNMHHHNJLIHZIE-KRWDZBQOSA-N 1 1 333.439 3.257 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)s1 ZINC000096053713 203813320 /nfs/dbraw/zinc/81/33/20/203813320.db2.gz JCYILSNOJZEELY-YJBOKZPZSA-N 1 1 344.455 3.286 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)o1 ZINC000107730570 204244982 /nfs/dbraw/zinc/24/49/82/204244982.db2.gz PABVQIWQFIOTEN-MOPGFXCFSA-N 1 1 328.412 3.186 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)cc1 ZINC000107751992 204247064 /nfs/dbraw/zinc/24/70/64/204247064.db2.gz BSSPCZNYZFNVOZ-SFTDATJTSA-N 1 1 345.483 3.493 40 0 EGABMO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)s1 ZINC000107745959 204247847 /nfs/dbraw/zinc/24/78/47/204247847.db2.gz YZVYYNGPNGUFFP-BJWYYQGGSA-N 1 1 330.453 3.034 40 0 EGABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000072228017 262491560 /nfs/dbraw/zinc/49/15/60/262491560.db2.gz NMEQOPGLCFICEN-CVEARBPZSA-N 1 1 345.240 3.427 40 0 EGABMO COc1cc2cccnc2c(NC[C@@H](O)C[N@H+]2CC[C@H](C)C[C@H]2C)c1 ZINC000004522432 274103122 /nfs/dbraw/zinc/10/31/22/274103122.db2.gz ASZGOXIFKOHFFV-ZMSDIMECSA-N 1 1 343.471 3.137 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)cs1 ZINC000096061684 275064376 /nfs/dbraw/zinc/06/43/76/275064376.db2.gz ZEUXSZWGQBJMRC-UXHICEINSA-N 1 1 342.508 3.266 40 0 EGABMO C[C@]12C[C@H](CC(C)(C)C1)[N@H+]([C@@H]1CC(=O)N(c3ccc(F)cc3)C1=O)C2 ZINC000004171746 280177439 /nfs/dbraw/zinc/17/74/39/280177439.db2.gz RDGHEVPKBFRRFQ-YRNRMSPPSA-N 1 1 344.430 3.358 40 0 EGABMO CC(C)Cc1nc(C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)cs1 ZINC000332112939 308826894 /nfs/dbraw/zinc/82/68/94/308826894.db2.gz UIEUXBTZHOKRSG-UHFFFAOYSA-N 1 1 332.473 3.160 40 0 EGABMO Cn1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c(C2CCCCC2)n1 ZINC000097095411 323214755 /nfs/dbraw/zinc/21/47/55/323214755.db2.gz BLNLAPSAPPUYRM-UHFFFAOYSA-N 1 1 345.409 3.357 40 0 EGABMO COc1ccc(C[N@@H+]2CCCN(C(=O)C3(SC)CCC3)CC2)cc1 ZINC000390835761 324284593 /nfs/dbraw/zinc/28/45/93/324284593.db2.gz XVAVMXVMIFWZJH-UHFFFAOYSA-N 1 1 348.512 3.015 40 0 EGABMO COc1ccc(C[N@H+]2CCCN(C(=O)C3(SC)CCC3)CC2)cc1 ZINC000390835761 324284597 /nfs/dbraw/zinc/28/45/97/324284597.db2.gz XVAVMXVMIFWZJH-UHFFFAOYSA-N 1 1 348.512 3.015 40 0 EGABMO C[C@@]1([NH+]2CCCCC2)COc2ccc(Br)cc2[C@H]1O ZINC000005534878 452882481 /nfs/dbraw/zinc/88/24/81/452882481.db2.gz NLDQZKXOEPFGRX-HUUCEWRRSA-N 1 1 326.234 3.120 40 0 EGABMO CCc1[nH+]ccn1CCCNC(=O)c1ccc(Br)cc1 ZINC000010333477 453286635 /nfs/dbraw/zinc/28/66/35/453286635.db2.gz KCLFCOLWBMJZIO-UHFFFAOYSA-N 1 1 336.233 3.028 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccccc1C ZINC000010544232 453295766 /nfs/dbraw/zinc/29/57/66/453295766.db2.gz GQCQGALMXPLVPU-GOSISDBHSA-N 1 1 338.517 3.069 40 0 EGABMO O[C@]1(c2ccc(F)cc2)CCC[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000013266188 453455740 /nfs/dbraw/zinc/45/57/40/453455740.db2.gz JYZMRAZKRRPYGD-VDGAXYAQSA-N 1 1 326.415 3.340 40 0 EGABMO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@H+](C2CCCCC2)C1 ZINC000015674616 453582420 /nfs/dbraw/zinc/58/24/20/453582420.db2.gz UZTSERYFAHZRJK-SJORKVTESA-N 1 1 327.428 3.101 40 0 biogenic,in-vitro EGABMO Oc1cccc(C[N@H+]2CCC[C@H](c3noc(-c4ccccn4)n3)C2)c1 ZINC000019402983 453656544 /nfs/dbraw/zinc/65/65/44/453656544.db2.gz SQWPLQWMABNFIQ-HNNXBMFYSA-N 1 1 336.395 3.217 40 0 EGABMO Cc1cc([C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c(C)s1 ZINC000019567913 453657373 /nfs/dbraw/zinc/65/73/73/453657373.db2.gz BUJCWTWOELDKGB-SFHVURJKSA-N 1 1 334.460 3.360 40 0 EGABMO COc1cccc(NC(=O)C[NH2+]C2(c3nc(C)cs3)CCCC2)c1 ZINC000081595898 453892595 /nfs/dbraw/zinc/89/25/95/453892595.db2.gz KCRZXBRTILUTJP-UHFFFAOYSA-N 1 1 345.468 3.458 40 0 EGABMO OCC[N@H+](Cc1cccn1Cc1ccccc1F)Cc1cccnc1 ZINC000057796943 454147056 /nfs/dbraw/zinc/14/70/56/454147056.db2.gz CEMQDHYMBXSLMG-UHFFFAOYSA-N 1 1 339.414 3.065 40 0 EGABMO OCC[N@@H+](Cc1cccn1Cc1ccccc1F)Cc1cccnc1 ZINC000057796943 454147059 /nfs/dbraw/zinc/14/70/59/454147059.db2.gz CEMQDHYMBXSLMG-UHFFFAOYSA-N 1 1 339.414 3.065 40 0 EGABMO OCC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1cccnc1 ZINC000057796962 454147073 /nfs/dbraw/zinc/14/70/73/454147073.db2.gz YOGMVJKGWAKYNC-UHFFFAOYSA-N 1 1 342.830 3.120 40 0 EGABMO OCC[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1cccnc1 ZINC000057796962 454147075 /nfs/dbraw/zinc/14/70/75/454147075.db2.gz YOGMVJKGWAKYNC-UHFFFAOYSA-N 1 1 342.830 3.120 40 0 EGABMO c1coc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC000096040218 454266733 /nfs/dbraw/zinc/26/67/33/454266733.db2.gz JJXWLGXJZZLBOO-UXHICEINSA-N 1 1 342.439 3.263 40 0 EGABMO O=C(c1cccs1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096046520 454269912 /nfs/dbraw/zinc/26/99/12/454269912.db2.gz HXVXHLLCSPCUDM-UHFFFAOYSA-N 1 1 341.480 3.271 40 0 EGABMO c1csc(C[N@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 ZINC000096048235 454271532 /nfs/dbraw/zinc/27/15/32/454271532.db2.gz OWTUZEKXYHYKHL-WMZOPIPTSA-N 1 1 330.453 3.346 40 0 EGABMO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)N1CCCC1)CC2 ZINC000096051609 454272332 /nfs/dbraw/zinc/27/23/32/454272332.db2.gz OPKYCPYQTSFPOR-KRWDZBQOSA-N 1 1 331.460 3.172 40 0 EGABMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)o1 ZINC000096051169 454272900 /nfs/dbraw/zinc/27/29/00/454272900.db2.gz QMFDNGLXNPLBDE-QGZVFWFLSA-N 1 1 348.397 3.116 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccc(C)c4)C(=O)[C@H]3C2)s1 ZINC000096053705 454273020 /nfs/dbraw/zinc/27/30/20/454273020.db2.gz FSOHOPXHAXZXDJ-HKUYNNGSSA-N 1 1 340.492 3.455 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccco2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096051122 454273247 /nfs/dbraw/zinc/27/32/47/454273247.db2.gz QORLMGFCMYHYGY-QGZVFWFLSA-N 1 1 333.382 3.412 40 0 EGABMO CCOC[C@@H]1C[N@H+](Cc2ccsc2)Cc2cn(CC3CC3)nc21 ZINC000096059958 454275860 /nfs/dbraw/zinc/27/58/60/454275860.db2.gz GRNWHIDTTLRPRL-KRWDZBQOSA-N 1 1 331.485 3.491 40 0 EGABMO CCOC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2cn(CC3CC3)nc21 ZINC000096059958 454275863 /nfs/dbraw/zinc/27/58/63/454275863.db2.gz GRNWHIDTTLRPRL-KRWDZBQOSA-N 1 1 331.485 3.491 40 0 EGABMO Cn1ncc2c1[C@@H](COCC1CC1)C[N@H+](Cc1ccc(F)cc1)C2 ZINC000096060110 454276676 /nfs/dbraw/zinc/27/66/76/454276676.db2.gz OIMLMZXCFGOHJY-QGZVFWFLSA-N 1 1 329.419 3.085 40 0 EGABMO Cn1ncc2c1[C@@H](COCC1CC1)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096060110 454276678 /nfs/dbraw/zinc/27/66/78/454276678.db2.gz OIMLMZXCFGOHJY-QGZVFWFLSA-N 1 1 329.419 3.085 40 0 EGABMO Cn1cnc2c1[C@@H](COCc1cccnc1)[N@H+](Cc1ccccc1)CC2 ZINC000096066795 454278496 /nfs/dbraw/zinc/27/84/96/454278496.db2.gz ZNELGJTYLBQHFN-HXUWFJFHSA-N 1 1 348.450 3.131 40 0 EGABMO Cn1cnc2c1[C@@H](COCc1cccnc1)[N@@H+](Cc1ccccc1)CC2 ZINC000096066795 454278501 /nfs/dbraw/zinc/27/85/01/454278501.db2.gz ZNELGJTYLBQHFN-HXUWFJFHSA-N 1 1 348.450 3.131 40 0 EGABMO c1cc(C[N@@H+]2CC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cs1 ZINC000096107799 454286210 /nfs/dbraw/zinc/28/62/10/454286210.db2.gz JTFDHFZONJECPW-MSOLQXFVSA-N 1 1 330.453 3.093 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](Cc3cccnc3)CC[C@@H]2OC)cc1 ZINC000096110550 454286855 /nfs/dbraw/zinc/28/68/55/454286855.db2.gz RYEDQNVICSMVBU-ICSRJNTNSA-N 1 1 326.440 3.170 40 0 EGABMO CCOC[C@@H]1C[N@H+](Cc2cccs2)Cc2cn(CC3CC3)nc21 ZINC000096198155 454302346 /nfs/dbraw/zinc/30/23/46/454302346.db2.gz XBODRHZCYUVYLS-INIZCTEOSA-N 1 1 331.485 3.491 40 0 EGABMO CCOC[C@@H]1C[N@@H+](Cc2cccs2)Cc2cn(CC3CC3)nc21 ZINC000096198155 454302353 /nfs/dbraw/zinc/30/23/53/454302353.db2.gz XBODRHZCYUVYLS-INIZCTEOSA-N 1 1 331.485 3.491 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)s1 ZINC000096201815 454302864 /nfs/dbraw/zinc/30/28/64/454302864.db2.gz GNOCXFWXRYLKBO-PKOBYXMFSA-N 1 1 326.465 3.162 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](Cc3c(C)noc3C)CC[C@H]2OC)cc1 ZINC000096207996 454304194 /nfs/dbraw/zinc/30/41/94/454304194.db2.gz WBPZNOVAHPTCBU-FXAWDEMLSA-N 1 1 344.455 3.380 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)o1 ZINC000096215881 454305229 /nfs/dbraw/zinc/30/52/29/454305229.db2.gz SRPXCCVLRWNTKE-HXUWFJFHSA-N 1 1 325.456 3.471 40 0 EGABMO Cc1ccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)o1 ZINC000096215881 454305235 /nfs/dbraw/zinc/30/52/35/454305235.db2.gz SRPXCCVLRWNTKE-HXUWFJFHSA-N 1 1 325.456 3.471 40 0 EGABMO Cc1ccc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)o1 ZINC000096215881 454305240 /nfs/dbraw/zinc/30/52/40/454305240.db2.gz SRPXCCVLRWNTKE-HXUWFJFHSA-N 1 1 325.456 3.471 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ccc[nH]4)C3)C2)o1 ZINC000096215917 454305437 /nfs/dbraw/zinc/30/54/37/454305437.db2.gz RZWCNMIZXCBSFW-LJQANCHMSA-N 1 1 327.428 3.044 40 0 EGABMO CC(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216456 454306789 /nfs/dbraw/zinc/30/67/89/454306789.db2.gz UUQYVCGNFSXBMJ-FQEVSTJZSA-N 1 1 330.472 3.036 40 0 EGABMO Fc1ccccc1OC[C@@H]1CO[C@@H]2C[N@H+](C3CCSCC3)C[C@H]12 ZINC000096220332 454307783 /nfs/dbraw/zinc/30/77/83/454307783.db2.gz UKABCXBFRKADFK-DDUZABMNSA-N 1 1 337.460 3.047 40 0 EGABMO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C)s1)C2 ZINC000096218463 454307902 /nfs/dbraw/zinc/30/79/02/454307902.db2.gz FXTNJINXNBLFDT-HKUYNNGSSA-N 1 1 334.529 3.237 40 0 EGABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C)s1)C2 ZINC000096218463 454307905 /nfs/dbraw/zinc/30/79/05/454307905.db2.gz FXTNJINXNBLFDT-HKUYNNGSSA-N 1 1 334.529 3.237 40 0 EGABMO CC(C)[N@@H+](C)C[C@@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)CO1 ZINC000096224952 454308847 /nfs/dbraw/zinc/30/88/47/454308847.db2.gz MEKAHFGRVHXPER-IBGZPJMESA-N 1 1 344.499 3.428 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H](F)[C@]3(CCN(C(=O)c4ccco4)C3)C2)o1 ZINC000096241224 454310988 /nfs/dbraw/zinc/31/09/88/454310988.db2.gz CXBOOBAJAYUFNG-IEBWSBKVSA-N 1 1 346.402 3.257 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3OCCN(c4cccnc4)[C@H]3CC2)s1 ZINC000096249434 454311839 /nfs/dbraw/zinc/31/18/39/454311839.db2.gz RMXYOZYULYJJFG-RBUKOAKNSA-N 1 1 343.496 3.321 40 0 EGABMO C[C@H](c1cccnc1)N1CC[NH+](C[C@@H]2OCCc3ccccc32)CC1 ZINC000096424301 454337915 /nfs/dbraw/zinc/33/79/15/454337915.db2.gz NZSOVVZNEIOMTQ-UTKZUKDTSA-N 1 1 337.467 3.074 40 0 EGABMO CCS[C@H]1CC[C@H]([N@@H+](C)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000096443552 454351472 /nfs/dbraw/zinc/35/14/72/454351472.db2.gz RHKXBQKADZSMCO-KBPBESRZSA-N 1 1 331.485 3.072 40 0 EGABMO CS[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485944 454367765 /nfs/dbraw/zinc/36/77/65/454367765.db2.gz RFDGLBVFWXPHQO-IFUGULHKSA-N 1 1 344.883 3.340 40 0 EGABMO CO[C@@H]1CCCCC[C@H]1[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000097212900 454424925 /nfs/dbraw/zinc/42/49/25/454424925.db2.gz VHHBXTIROFSOPE-HZPDHXFCSA-N 1 1 337.489 3.096 40 0 EGABMO CCc1ccc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)o1 ZINC000097953786 454448152 /nfs/dbraw/zinc/44/81/52/454448152.db2.gz PEEISYHQYJDSPA-AQNXPRMDSA-N 1 1 342.439 3.186 40 0 EGABMO CCCn1c(C)nnc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000162999481 454816260 /nfs/dbraw/zinc/81/62/60/454816260.db2.gz KCDDHDYQBVOJSN-UHFFFAOYSA-N 1 1 338.459 3.252 40 0 EGABMO CCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000110595274 454848567 /nfs/dbraw/zinc/84/85/67/454848567.db2.gz FBPLIBPHGBXQDU-CVEARBPZSA-N 1 1 338.517 3.076 40 0 EGABMO COc1ccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)cc1S(C)(=O)=O ZINC000245289844 455281644 /nfs/dbraw/zinc/28/16/44/455281644.db2.gz FMVVAXJPDSBDJY-FVQBIDKESA-N 1 1 337.485 3.252 40 0 EGABMO COc1ccc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)cc1S(C)(=O)=O ZINC000245289844 455281647 /nfs/dbraw/zinc/28/16/47/455281647.db2.gz FMVVAXJPDSBDJY-FVQBIDKESA-N 1 1 337.485 3.252 40 0 EGABMO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](OCc1cccnc1)CS2 ZINC000248019059 455670948 /nfs/dbraw/zinc/67/09/48/455670948.db2.gz IKKVNHPOLNFUNY-HNNXBMFYSA-N 1 1 347.509 3.123 40 0 EGABMO Cc1ccsc1C(=O)N1CC2(C1)C[C@H](COCC1CC1)CC[N@H+]2C ZINC000248141371 455687226 /nfs/dbraw/zinc/68/72/26/455687226.db2.gz QMRWJAJEXUZJJK-MRXNPFEDSA-N 1 1 348.512 3.020 40 0 EGABMO Cc1ccsc1C(=O)N1CC2(C1)C[C@H](COCC1CC1)CC[N@@H+]2C ZINC000248141371 455687229 /nfs/dbraw/zinc/68/72/29/455687229.db2.gz QMRWJAJEXUZJJK-MRXNPFEDSA-N 1 1 348.512 3.020 40 0 EGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](C[C@@H]4CC=CCC4)C3)cc(N)n2n1 ZINC000248338512 455704859 /nfs/dbraw/zinc/70/48/59/455704859.db2.gz ROFPWHZCLSZMHV-HZPDHXFCSA-N 1 1 325.460 3.156 40 0 EGABMO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](CCO[C@H]3CCCCO3)C2)n1 ZINC000248751859 455729478 /nfs/dbraw/zinc/72/94/78/455729478.db2.gz HCGTXHGQAXPDMT-ZFWWWQNUSA-N 1 1 347.381 3.082 40 0 EGABMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccsc3)[C@H](C)C2)s1 ZINC000253420355 455844192 /nfs/dbraw/zinc/84/41/92/455844192.db2.gz WMAIVLFPQZWZTA-IAQYHMDHSA-N 1 1 335.498 3.153 40 0 EGABMO Cc1nc(C2CC2)oc1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000253420645 455844585 /nfs/dbraw/zinc/84/45/85/455844585.db2.gz ZIWSHANXQKELEB-SUMWQHHRSA-N 1 1 339.439 3.253 40 0 EGABMO Cc1ccccc1OCC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@H+]2C ZINC000257298418 455884946 /nfs/dbraw/zinc/88/49/46/455884946.db2.gz RLMYVPHLZHULEJ-ROPHOZQPSA-N 1 1 342.483 3.238 40 0 EGABMO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257313163 455889213 /nfs/dbraw/zinc/88/92/13/455889213.db2.gz URFZSCOPSZMJHM-ZDUSSCGKSA-N 1 1 340.456 3.011 40 0 EGABMO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257313163 455889217 /nfs/dbraw/zinc/88/92/17/455889217.db2.gz URFZSCOPSZMJHM-ZDUSSCGKSA-N 1 1 340.456 3.011 40 0 EGABMO C[N@@H+](Cc1ccc(F)cn1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257323550 455892161 /nfs/dbraw/zinc/89/21/61/455892161.db2.gz WKVBVZJTWHJUAG-QYZOEREBSA-N 1 1 330.403 3.014 40 0 EGABMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C(F)F ZINC000194853016 455892176 /nfs/dbraw/zinc/89/21/76/455892176.db2.gz ZDBCKUXBGBTHAV-UHFFFAOYSA-N 1 1 337.197 3.339 40 0 EGABMO Cc1cnc(C[N@H+]2CCOC[C@@H](Cc3cccc4occc43)C2)cn1 ZINC000257335861 455894502 /nfs/dbraw/zinc/89/45/02/455894502.db2.gz YMFQFEPDMHMFSR-INIZCTEOSA-N 1 1 337.423 3.222 40 0 EGABMO CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(Cc2ccccc2)nc1 ZINC000257343943 455895685 /nfs/dbraw/zinc/89/56/85/455895685.db2.gz ZVBOCGCOHUTFPK-HXUWFJFHSA-N 1 1 337.467 3.288 40 0 EGABMO CN(C)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(Cc2ccccc2)nc1 ZINC000257343943 455895690 /nfs/dbraw/zinc/89/56/90/455895690.db2.gz ZVBOCGCOHUTFPK-HXUWFJFHSA-N 1 1 337.467 3.288 40 0 EGABMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000195529737 455980269 /nfs/dbraw/zinc/98/02/69/455980269.db2.gz QIXKIQCDYRSKHS-WBVHZDCISA-N 1 1 341.455 3.408 40 0 EGABMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@@H](O)COC(C)(C)C)C3)nc2c1 ZINC000195549540 455983283 /nfs/dbraw/zinc/98/32/83/455983283.db2.gz XKOYWPCBIOFVOA-HZPDHXFCSA-N 1 1 345.487 3.227 40 0 EGABMO Cc1ccc2nc([C@@H]3CCC[N@H+](C[C@@H](O)COC(C)(C)C)C3)[nH]c2c1 ZINC000195549540 455983290 /nfs/dbraw/zinc/98/32/90/455983290.db2.gz XKOYWPCBIOFVOA-HZPDHXFCSA-N 1 1 345.487 3.227 40 0 EGABMO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cn(C)nc3C3CCCCC3)[C@@H]2C1 ZINC000195560427 455985596 /nfs/dbraw/zinc/98/55/96/455985596.db2.gz CMVOLGWXUAMPKQ-QRVBRYPASA-N 1 1 347.503 3.236 40 0 EGABMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cn(C)nc3C3CCCCC3)[C@@H]2C1 ZINC000195560427 455985598 /nfs/dbraw/zinc/98/55/98/455985598.db2.gz CMVOLGWXUAMPKQ-QRVBRYPASA-N 1 1 347.503 3.236 40 0 EGABMO COc1ccc2c(c1)[C@H]([NH2+]Cc1nnc3n1CCCC3)CCCS2 ZINC000188459815 456066676 /nfs/dbraw/zinc/06/66/76/456066676.db2.gz HUUBKQKHEJEESK-OAHLLOKOSA-N 1 1 344.484 3.340 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ncccc2C)cc1 ZINC000225458879 456084467 /nfs/dbraw/zinc/08/44/67/456084467.db2.gz FKQHVLFLELQEPW-UHFFFAOYSA-N 1 1 337.452 3.371 40 0 EGABMO Cc1[nH+]ccn1C[C@H]1CCCN1c1nnc(Cc2ccccc2)s1 ZINC000225596394 456096156 /nfs/dbraw/zinc/09/61/56/456096156.db2.gz UGZXLNIALGPUDJ-MRXNPFEDSA-N 1 1 339.468 3.303 40 0 EGABMO c1csc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306137918 456568253 /nfs/dbraw/zinc/56/82/53/456568253.db2.gz RKCBXZLMELHCHT-HOTGVXAUSA-N 1 1 336.464 3.311 40 0 EGABMO C[N@H+]1CCC[C@]12CCCN(C(=O)COc1cccc(Cl)c1)CC2 ZINC000585100204 459823188 /nfs/dbraw/zinc/82/31/88/459823188.db2.gz HMUHYZJZFNXOTP-GOSISDBHSA-N 1 1 336.863 3.196 40 0 EGABMO Cc1cccc(CO[C@H]2CSC3(C[NH+](Cc4ccco4)C3)C2)n1 ZINC000585105551 459825379 /nfs/dbraw/zinc/82/53/79/459825379.db2.gz ZKUKUUQWVLBQFY-QGZVFWFLSA-N 1 1 330.453 3.260 40 0 EGABMO Fc1ccc(C[N@H+]2CCC[C@H](c3[nH]nc4nccnc43)C2)c(F)c1 ZINC000019293064 202003265 /nfs/dbraw/zinc/00/32/65/202003265.db2.gz ZCGHNEJVWYNEHR-LBPRGKRZSA-N 1 1 329.354 3.011 40 0 EGABMO COc1cccc(C[N@@H+]2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)c1 ZINC000019575600 202013041 /nfs/dbraw/zinc/01/30/41/202013041.db2.gz INQAJKSOPBUYDN-HNNXBMFYSA-N 1 1 344.480 3.032 40 0 EGABMO COc1cccc(C[N@H+]2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)c1 ZINC000019575600 202013044 /nfs/dbraw/zinc/01/30/44/202013044.db2.gz INQAJKSOPBUYDN-HNNXBMFYSA-N 1 1 344.480 3.032 40 0 EGABMO CNc1ncccc1C[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCO1 ZINC000019592029 202015029 /nfs/dbraw/zinc/01/50/29/202015029.db2.gz FUYBMOWJWZMQHQ-IBGZPJMESA-N 1 1 341.455 3.313 40 0 EGABMO CNc1ncccc1C[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCO1 ZINC000019592029 202015031 /nfs/dbraw/zinc/01/50/31/202015031.db2.gz FUYBMOWJWZMQHQ-IBGZPJMESA-N 1 1 341.455 3.313 40 0 EGABMO Cc1ccccc1NC(=O)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000023354614 202102795 /nfs/dbraw/zinc/10/27/95/202102795.db2.gz MBNBVRQBMOOEAC-UHFFFAOYSA-N 1 1 337.467 3.141 40 0 EGABMO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000040159641 202184190 /nfs/dbraw/zinc/18/41/90/202184190.db2.gz LTJRGSLSFSRUNK-DOMZBBRYSA-N 1 1 336.819 3.119 40 0 EGABMO C[C@H]([C@H](O)c1cc2c(c3ccccc31)CCCC2)[NH+]1CCOCC1 ZINC000031912071 202211645 /nfs/dbraw/zinc/21/16/45/202211645.db2.gz QIPKXIYOBUBCAW-VFNWGFHPSA-N 1 1 325.452 3.473 40 0 EGABMO C[C@@H]1C[C@H](OC[C@@H](O)C[N@@H+](CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000033526504 202266507 /nfs/dbraw/zinc/26/65/07/202266507.db2.gz FKQLTXLKHRPMII-HOJAQTOUSA-N 1 1 349.515 3.073 40 0 EGABMO CN(C)c1ccccc1C[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000072632062 202364697 /nfs/dbraw/zinc/36/46/97/202364697.db2.gz NYJLKRGEYYWCNF-UHFFFAOYSA-N 1 1 343.496 3.162 40 0 EGABMO CN(C)c1ccccc1C[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000072632062 202364701 /nfs/dbraw/zinc/36/47/01/202364701.db2.gz NYJLKRGEYYWCNF-UHFFFAOYSA-N 1 1 343.496 3.162 40 0 EGABMO O=C(c1ccncc1)N1CCC[N@@H+](CCSc2ccccc2)CC1 ZINC000074352612 202373960 /nfs/dbraw/zinc/37/39/60/202373960.db2.gz GEDPTTHTEFTEAN-UHFFFAOYSA-N 1 1 341.480 3.022 40 0 EGABMO C[N@H+]1C[C@@H](CNC(=O)Nc2cccc(F)c2)[C@@H](c2cccs2)C1 ZINC000227150480 201038248 /nfs/dbraw/zinc/03/82/48/201038248.db2.gz FVTHARXFFOEOLI-DOMZBBRYSA-N 1 1 333.432 3.354 40 0 EGABMO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](CCO[C@@H]3CCCCO3)C2)n1 ZINC000193116309 240026504 /nfs/dbraw/zinc/02/65/04/240026504.db2.gz HCGTXHGQAXPDMT-UKRRQHHQSA-N 1 1 347.381 3.082 40 0 EGABMO COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)cc1C ZINC000195549363 241000140 /nfs/dbraw/zinc/00/01/40/241000140.db2.gz RHMDAVBACKNSHU-JSGCOSHPSA-N 1 1 347.415 3.082 40 0 EGABMO CC(C)[C@@H]1C[C@@]2(C)[C@H](CCCCc3nnnn32)[N@H+]1Cc1ccccc1 ZINC000218904936 241350771 /nfs/dbraw/zinc/35/07/71/241350771.db2.gz HAWVQLFDRCMYQW-BJLQDIEVSA-N 1 1 339.487 3.414 40 0 EGABMO COc1ccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c(Cl)c1OC ZINC000092968373 203088225 /nfs/dbraw/zinc/08/82/25/203088225.db2.gz HDDGAVBMVUONNA-CQSZACIVSA-N 1 1 335.835 3.391 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)c(Cl)c1OC ZINC000092968373 203088226 /nfs/dbraw/zinc/08/82/26/203088226.db2.gz HDDGAVBMVUONNA-CQSZACIVSA-N 1 1 335.835 3.391 40 0 EGABMO COc1ccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)c(Cl)c1OC ZINC000092968371 203088567 /nfs/dbraw/zinc/08/85/67/203088567.db2.gz HDDGAVBMVUONNA-AWEZNQCLSA-N 1 1 335.835 3.391 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)c(Cl)c1OC ZINC000092968371 203088569 /nfs/dbraw/zinc/08/85/69/203088569.db2.gz HDDGAVBMVUONNA-AWEZNQCLSA-N 1 1 335.835 3.391 40 0 EGABMO CCOc1ccccc1CN1CCC[C@@H]1c1cncc(C[NH+](C)C)n1 ZINC000257204480 244129498 /nfs/dbraw/zinc/12/94/98/244129498.db2.gz AUUANBGQWHWTCQ-LJQANCHMSA-N 1 1 340.471 3.274 40 0 EGABMO CCOc1ccccc1CN1CCC[C@H]1c1cncc(C[NH+](C)C)n1 ZINC000257204479 244130621 /nfs/dbraw/zinc/13/06/21/244130621.db2.gz AUUANBGQWHWTCQ-IBGZPJMESA-N 1 1 340.471 3.274 40 0 EGABMO CCCN1CC[NH2+][C@@H](Cc2ccccc2-c2ccc(F)cc2)C1=O ZINC000072352870 203204135 /nfs/dbraw/zinc/20/41/35/203204135.db2.gz UBWRJVUQCJCEIP-IBGZPJMESA-N 1 1 326.415 3.246 40 0 EGABMO COCC[N@H+]1CCC[C@@H](c2cc(Nc3cccc(C)n3)nc(C)n2)C1 ZINC000072360195 203205546 /nfs/dbraw/zinc/20/55/46/203205546.db2.gz DFHOSCWZEZYEPR-MRXNPFEDSA-N 1 1 341.459 3.058 40 0 EGABMO C[N@@H+](Cc1ccccc1)Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392293 203213079 /nfs/dbraw/zinc/21/30/79/203213079.db2.gz OHNRRJOVXKOZGK-UHFFFAOYSA-N 1 1 329.407 3.423 40 0 EGABMO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC000072392530 203213718 /nfs/dbraw/zinc/21/37/18/203213718.db2.gz PAGTXOPIEMNVEY-NBQZKYEYSA-N 1 1 344.405 3.398 40 0 EGABMO O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000074924404 203296979 /nfs/dbraw/zinc/29/69/79/203296979.db2.gz YVGPRQOAWYSJJS-UHFFFAOYSA-N 1 1 328.843 3.227 40 0 EGABMO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)[C@@H]2C1 ZINC000107798605 204247930 /nfs/dbraw/zinc/24/79/30/204247930.db2.gz ODAWGHBAUACBMA-AZUAARDMSA-N 1 1 335.451 3.467 40 0 EGABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000126892648 205075960 /nfs/dbraw/zinc/07/59/60/205075960.db2.gz DZSDMGVDGMQLRC-VIFPVBQESA-N 1 1 331.641 3.383 40 0 EGABMO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000095422419 218365235 /nfs/dbraw/zinc/36/52/35/218365235.db2.gz CSBNZNDBMCHDNB-ZJUUUORDSA-N 1 1 340.420 3.246 40 0 EGABMO Cc1[nH+]ccn1CCSc1nnc2c(Cl)cc(Cl)cn12 ZINC000095453237 218397401 /nfs/dbraw/zinc/39/74/01/218397401.db2.gz FKLLCSGMXMGVLP-UHFFFAOYSA-N 1 1 328.228 3.333 40 0 EGABMO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCCN(C(C)=O)CC1 ZINC000097237265 219003106 /nfs/dbraw/zinc/00/31/06/219003106.db2.gz NLUNINXMEKAMMG-UHFFFAOYSA-N 1 1 338.451 3.416 40 0 EGABMO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1-n1cccn1 ZINC000095407519 287042601 /nfs/dbraw/zinc/04/26/01/287042601.db2.gz YPMPIOSOLHPEEV-OAHLLOKOSA-N 1 1 336.443 3.041 40 0 EGABMO FCC[NH+]1CCC2(CC1)C[C@H](Nc1ncccn1)c1ccccc1O2 ZINC000096079789 279454973 /nfs/dbraw/zinc/45/49/73/279454973.db2.gz KRMDGPZBWWSEOX-INIZCTEOSA-N 1 1 342.418 3.216 40 0 EGABMO COC(=O)c1ccc2[nH]c(C)c(C[N@@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000000144130 452519048 /nfs/dbraw/zinc/51/90/48/452519048.db2.gz KWZFHKOEAAIKJE-UHFFFAOYSA-N 1 1 342.439 3.388 40 0 EGABMO O=CN1CCC[C@H]2[C@@H]1[C@H]1CC[C@@H]2[N@H+]2CCc3c4ccccc4[nH]c3[C@H]12 ZINC000000519341 452613154 /nfs/dbraw/zinc/61/31/54/452613154.db2.gz VKPFCELVPNZDPK-VSHGRSIOSA-N 1 1 335.451 3.096 40 0 EGABMO O=CN1CCC[C@H]2[C@@H]1[C@H]1CC[C@@H]2[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]12 ZINC000000519341 452613164 /nfs/dbraw/zinc/61/31/64/452613164.db2.gz VKPFCELVPNZDPK-VSHGRSIOSA-N 1 1 335.451 3.096 40 0 EGABMO CCC(=O)N(Cc1ccc(OC)c(OC)c1)[C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000004188093 452798286 /nfs/dbraw/zinc/79/82/86/452798286.db2.gz PLOYJZJBKMLKKY-ZOBUZTSGSA-N 1 1 348.487 3.171 40 0 EGABMO O=C(C[NH+]1CCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000007814781 453120960 /nfs/dbraw/zinc/12/09/60/453120960.db2.gz YAHFQZBKFHOKOV-CQSZACIVSA-N 1 1 329.425 3.115 40 0 EGABMO CCCn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cn1 ZINC000012242285 453352040 /nfs/dbraw/zinc/35/20/40/453352040.db2.gz QRMQFMHKUCSROJ-XEWABKELSA-N 1 1 343.446 3.447 40 0 EGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](C[C@H]4CC=CCC4)C3)cc(N)n2n1 ZINC000012667655 453391185 /nfs/dbraw/zinc/39/11/85/453391185.db2.gz ROFPWHZCLSZMHV-JKSUJKDBSA-N 1 1 325.460 3.156 40 0 EGABMO Cc1cc(-c2snnc2[C@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)on1 ZINC000013226070 453453640 /nfs/dbraw/zinc/45/36/40/453453640.db2.gz JKJYHRFGBXHNPF-KBPBESRZSA-N 1 1 346.456 3.374 40 0 EGABMO COc1cc2c3c(c1OC)-c1c(ccc(O)c1OC)C[C@@H]3[N@H+](C)CC2 ZINC000014725343 453541981 /nfs/dbraw/zinc/54/19/81/453541981.db2.gz KJAVJETZYFENNG-ZDUSSCGKSA-N 1 1 341.407 3.170 40 0 biogenic,in-vitro EGABMO COc1cc2c3c(c1OC)-c1c(ccc(O)c1OC)C[C@@H]3[N@@H+](C)CC2 ZINC000014725343 453541988 /nfs/dbraw/zinc/54/19/88/453541988.db2.gz KJAVJETZYFENNG-ZDUSSCGKSA-N 1 1 341.407 3.170 40 0 biogenic,in-vitro EGABMO C[C@@H]1CN(c2nccc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)n2)C[C@H](C)O1 ZINC000019497689 453656807 /nfs/dbraw/zinc/65/68/07/453656807.db2.gz JSRKLFWAMGIZPM-ZMMAXQRCSA-N 1 1 344.503 3.245 40 0 EGABMO c1ccc(CC[N@@H+]2CCO[C@H](c3ccc(-c4cncnc4)cn3)C2)cc1 ZINC000019692562 453658263 /nfs/dbraw/zinc/65/82/63/453658263.db2.gz NWWNQBJJYWRXLR-NRFANRHFSA-N 1 1 346.434 3.155 40 0 EGABMO c1ccc(CC[N@H+]2CCO[C@H](c3ccc(-c4cncnc4)cn3)C2)cc1 ZINC000019692562 453658265 /nfs/dbraw/zinc/65/82/65/453658265.db2.gz NWWNQBJJYWRXLR-NRFANRHFSA-N 1 1 346.434 3.155 40 0 EGABMO COc1ccc(C[N@H+]2CCCCC[C@@H]3[C@@H]2CCN3C(C)=O)c(OC)c1 ZINC000019712351 453658875 /nfs/dbraw/zinc/65/88/75/453658875.db2.gz UFLXIAMWHLEUMS-RBUKOAKNSA-N 1 1 346.471 3.069 40 0 EGABMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000036699936 453929263 /nfs/dbraw/zinc/92/92/63/453929263.db2.gz SUHRNJDQAXRHBB-LJQANCHMSA-N 1 1 330.472 3.147 40 0 EGABMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000036699936 453929267 /nfs/dbraw/zinc/92/92/67/453929267.db2.gz SUHRNJDQAXRHBB-LJQANCHMSA-N 1 1 330.472 3.147 40 0 EGABMO COCc1nc(C[NH2+]CCNc2ncc(Cl)cc2Cl)cs1 ZINC000084047001 453966506 /nfs/dbraw/zinc/96/65/06/453966506.db2.gz CBLYWKZNQVXYJV-UHFFFAOYSA-N 1 1 347.271 3.193 40 0 EGABMO COc1cccc2cc([C@@H](C)NC(=O)C[N@@H+](C)[C@@H]3CCSC3)oc21 ZINC000095449022 454214617 /nfs/dbraw/zinc/21/46/17/454214617.db2.gz LXYSXCZQYPDRSW-TZMCWYRMSA-N 1 1 348.468 3.056 40 0 EGABMO CCOc1ccc(-c2nnc([C@H]([NH3+])c3ccccc3)[nH]2)cc1OCC ZINC000095533492 454230400 /nfs/dbraw/zinc/23/04/00/454230400.db2.gz IYJMYWQKYQZPAT-QGZVFWFLSA-N 1 1 338.411 3.317 40 0 EGABMO COc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3Cl)n[nH]2)cc1OC ZINC000095533855 454231114 /nfs/dbraw/zinc/23/11/14/454231114.db2.gz QTQMZGNYBLVGDJ-OAHLLOKOSA-N 1 1 344.802 3.190 40 0 EGABMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccccc1 ZINC000058979987 454249299 /nfs/dbraw/zinc/24/92/99/454249299.db2.gz ZTZWBICGABZDQN-RTBURBONSA-N 1 1 337.419 3.181 40 0 EGABMO c1ccc(CC[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC000096042179 454268650 /nfs/dbraw/zinc/26/86/50/454268650.db2.gz WMOPEWHJQIXUGM-PCCBWWKXSA-N 1 1 338.451 3.073 40 0 EGABMO c1cc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)cs1 ZINC000096048242 454271045 /nfs/dbraw/zinc/27/10/45/454271045.db2.gz RYGMJMVSWIKWKK-MSOLQXFVSA-N 1 1 330.453 3.346 40 0 EGABMO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@@H+](Cc1cccs1)C2 ZINC000096048615 454271580 /nfs/dbraw/zinc/27/15/80/454271580.db2.gz JWHIJUWUPVUJJY-LJQANCHMSA-N 1 1 341.480 3.158 40 0 EGABMO O=C1[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096053714 454272397 /nfs/dbraw/zinc/27/23/97/454272397.db2.gz RETHYEIUGWYVFY-LPHOPBHVSA-N 1 1 342.389 3.055 40 0 EGABMO Cn1cccc1C(=O)N1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC000096051583 454272993 /nfs/dbraw/zinc/27/29/93/454272993.db2.gz IDZPPPUTSFYHGV-GOSISDBHSA-N 1 1 341.455 3.135 40 0 EGABMO Cc1nc(CO[C@@H]2C[N@H+](Cc3ccc(F)cc3)[C@@H]3COC[C@H]23)cs1 ZINC000096055882 454274445 /nfs/dbraw/zinc/27/44/45/454274445.db2.gz VFJOWZFFYSSNOW-RCCFBDPRSA-N 1 1 348.443 3.007 40 0 EGABMO Cc1nc(CO[C@@H]2C[N@@H+](Cc3ccc(F)cc3)[C@@H]3COC[C@H]23)cs1 ZINC000096055882 454274451 /nfs/dbraw/zinc/27/44/51/454274451.db2.gz VFJOWZFFYSSNOW-RCCFBDPRSA-N 1 1 348.443 3.007 40 0 EGABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000072227206 454275229 /nfs/dbraw/zinc/27/52/29/454275229.db2.gz VHXSPYHBLSWLKL-UONOGXRCSA-N 1 1 335.176 3.003 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)co1 ZINC000096065146 454278984 /nfs/dbraw/zinc/27/89/84/454278984.db2.gz QUVPMDXGNAYNCP-UXHICEINSA-N 1 1 342.439 3.263 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)o1 ZINC000096083130 454279482 /nfs/dbraw/zinc/27/94/82/454279482.db2.gz AJWAMYVIGCIZGV-VAMGGRTRSA-N 1 1 349.471 3.153 40 0 EGABMO c1csc(CN2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)n1 ZINC000096074714 454279740 /nfs/dbraw/zinc/27/97/40/454279740.db2.gz RJLWSMBSMGZJMU-UHFFFAOYSA-N 1 1 343.496 3.010 40 0 EGABMO COc1ccc2c(c1)C1(CCN(Cc3nccs3)CC1)[N@H+](C)CC2 ZINC000096100212 454282397 /nfs/dbraw/zinc/28/23/97/454282397.db2.gz FTWGWYRQZANHBP-UHFFFAOYSA-N 1 1 343.496 3.131 40 0 EGABMO c1csc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)n1 ZINC000096111032 454287718 /nfs/dbraw/zinc/28/77/18/454287718.db2.gz YGPJOTKYBBTDOE-AEFFLSMTSA-N 1 1 329.469 3.357 40 0 EGABMO C[N@@H+](CCc1cccc2ccccc21)CC(=O)NCc1cccnc1 ZINC000078640954 454291209 /nfs/dbraw/zinc/29/12/09/454291209.db2.gz LWEPBQZTJFIITB-UHFFFAOYSA-N 1 1 333.435 3.026 40 0 EGABMO c1csc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000096186126 454299358 /nfs/dbraw/zinc/29/93/58/454299358.db2.gz GDSUOLZXADNFFL-NEWSRXKRSA-N 1 1 344.480 3.482 40 0 EGABMO Cc1cccc(COC[C@H]2CC[C@H]3[C@H](CC[N@H+]3Cc3ccco3)O2)n1 ZINC000096186771 454299382 /nfs/dbraw/zinc/29/93/82/454299382.db2.gz JPUOFJDGVOPHJD-AABGKKOBSA-N 1 1 342.439 3.322 40 0 EGABMO CC(C)[N@@H+](C)Cc1cncc2c1CCN(C(=O)c1ccccc1F)C2 ZINC000096189469 454299487 /nfs/dbraw/zinc/29/94/87/454299487.db2.gz QFPDTLFPRUPELI-UHFFFAOYSA-N 1 1 341.430 3.259 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)o1 ZINC000096186163 454299607 /nfs/dbraw/zinc/29/96/07/454299607.db2.gz ILXGUZDRISPLOX-UFYCRDLUSA-N 1 1 342.439 3.322 40 0 EGABMO Cn1ccnc1C[N@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC000096200091 454303053 /nfs/dbraw/zinc/30/30/53/454303053.db2.gz KALDKSJZLUDKIU-RBUKOAKNSA-N 1 1 325.456 3.032 40 0 EGABMO CCOC[C@@H]1CCC2(CCN(C(=O)CC3=CCCCC3)CC2)[N@H+]1C ZINC000096208295 454304059 /nfs/dbraw/zinc/30/40/59/454304059.db2.gz ZWRFGFUWCIUNSV-SFHVURJKSA-N 1 1 334.504 3.369 40 0 EGABMO Cc1csc(CN2CCC3(CC[C@@H](COCC4CC4)[N@@H+]3C)CC2)n1 ZINC000096208748 454305477 /nfs/dbraw/zinc/30/54/77/454305477.db2.gz LUZUGRCUUNGPLV-KRWDZBQOSA-N 1 1 349.544 3.307 40 0 EGABMO c1ccc(NC[C@H]2CCC[C@]3(CC[N@@H+](Cc4cccnc4)C3)O2)nc1 ZINC000096215472 454305803 /nfs/dbraw/zinc/30/58/03/454305803.db2.gz RMSXJDRCQDYHCM-UYAOXDASSA-N 1 1 338.455 3.102 40 0 EGABMO Cc1cccc(CO[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)n1 ZINC000096208524 454306298 /nfs/dbraw/zinc/30/62/98/454306298.db2.gz IFBPUSGCDQAIPM-PMACEKPBSA-N 1 1 342.439 3.323 40 0 EGABMO Fc1cccnc1N[C@@H]1CO[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096219182 454306572 /nfs/dbraw/zinc/30/65/72/454306572.db2.gz GVKSBLLBBYSCGJ-SUMWQHHRSA-N 1 1 333.432 3.128 40 0 EGABMO Cc1noc(C[C@H]2CO[C@@H]3C[N@@H+](Cc4cccc5ccccc54)C[C@H]23)n1 ZINC000096218987 454306608 /nfs/dbraw/zinc/30/66/08/454306608.db2.gz LQVNYKLTTYXHNL-DFQSSKMNSA-N 1 1 349.434 3.221 40 0 EGABMO CCc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)o1 ZINC000096216843 454306874 /nfs/dbraw/zinc/30/68/74/454306874.db2.gz NWHMYTIXRGRALT-IBGZPJMESA-N 1 1 326.444 3.125 40 0 EGABMO Fc1cccnc1N[C@H]1CO[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096219186 454307183 /nfs/dbraw/zinc/30/71/83/454307183.db2.gz GVKSBLLBBYSCGJ-DYVFJYSZSA-N 1 1 333.432 3.128 40 0 EGABMO Fc1cccnc1N[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccco1)C2 ZINC000096222998 454308713 /nfs/dbraw/zinc/30/87/13/454308713.db2.gz OZDGSDVDQYQUEW-KSSFIOAISA-N 1 1 331.391 3.049 40 0 EGABMO Fc1ccc(-c2ncnc3c2CC[N@@H+](CC2CCOCC2)CC3)cc1 ZINC000096255293 454312627 /nfs/dbraw/zinc/31/26/27/454312627.db2.gz HWQGMOGDKGGONO-UHFFFAOYSA-N 1 1 341.430 3.110 40 0 EGABMO Cc1cccc(C(=O)N2CCCn3cnc(C[N@@H+](C)C(C)C)c3C2)c1 ZINC000096259226 454313308 /nfs/dbraw/zinc/31/33/08/454313308.db2.gz AYDPZTQBKCMCMR-UHFFFAOYSA-N 1 1 340.471 3.078 40 0 EGABMO Cc1cccc(C(=O)N2CCCn3cnc(C[N@H+](C)C(C)C)c3C2)c1 ZINC000096259226 454313314 /nfs/dbraw/zinc/31/33/14/454313314.db2.gz AYDPZTQBKCMCMR-UHFFFAOYSA-N 1 1 340.471 3.078 40 0 EGABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4cccc(C)c4)C[C@@H]32)C(=O)N1CC ZINC000096261612 454314820 /nfs/dbraw/zinc/31/48/20/454314820.db2.gz VIZAZVWTJSBQOB-LVCYWYKZSA-N 1 1 339.483 3.246 40 0 EGABMO Clc1cnn(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000096404847 454323395 /nfs/dbraw/zinc/32/33/95/454323395.db2.gz OXPYLZVNWDBIPH-UHFFFAOYSA-N 1 1 326.227 3.443 40 0 EGABMO CS(=O)(=O)Cc1ccc(CNc2cc[nH+]c3ccsc32)cc1 ZINC000096427331 454340387 /nfs/dbraw/zinc/34/03/87/454340387.db2.gz TZHHTYMTEYQISF-UHFFFAOYSA-N 1 1 332.450 3.453 40 0 EGABMO COc1ccc([C@@H]2CCCCC[N@H+]2CCCCS(C)(=O)=O)cc1 ZINC000097227750 454425983 /nfs/dbraw/zinc/42/59/83/454425983.db2.gz PTXGVCFALCIYQC-SFHVURJKSA-N 1 1 339.501 3.437 40 0 EGABMO CC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)C1 ZINC000097286462 454430472 /nfs/dbraw/zinc/43/04/72/454430472.db2.gz VYIUCDWHFXKMMK-CLCXKQKWSA-N 1 1 335.492 3.203 40 0 EGABMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C2CCCCC2)C[C@@H](C)O1 ZINC000048314226 454471474 /nfs/dbraw/zinc/47/14/74/454471474.db2.gz ZPVVDJDRGAOSRD-IAGOWNOFSA-N 1 1 344.499 3.492 40 0 EGABMO Cc1ccc2ncnc(Nc3ccc(N4CCOCC4)[nH+]c3C)c2c1 ZINC000092686300 454611216 /nfs/dbraw/zinc/61/12/16/454611216.db2.gz MHZSRTAXTNIUNK-UHFFFAOYSA-N 1 1 335.411 3.222 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)o1 ZINC000248117135 455681611 /nfs/dbraw/zinc/68/16/11/455681611.db2.gz STWOGAGBXPFSIH-QUCCMNQESA-N 1 1 342.439 3.433 40 0 EGABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC000248140304 455687283 /nfs/dbraw/zinc/68/72/83/455687283.db2.gz TVANRJKGPVDAOX-SZVBFZGTSA-N 1 1 339.439 3.047 40 0 EGABMO OCC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccco1 ZINC000248763054 455729801 /nfs/dbraw/zinc/72/98/01/455729801.db2.gz DWCYDJFNLYTUQD-HAGHYFMRSA-N 1 1 340.467 3.488 40 0 EGABMO CO[C@@H](C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 ZINC000252488333 455810352 /nfs/dbraw/zinc/81/03/52/455810352.db2.gz IPIYFOPSGGSSEO-AEFFLSMTSA-N 1 1 332.488 3.248 40 0 EGABMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccncc2Cl)CC1 ZINC000278376979 455833937 /nfs/dbraw/zinc/83/39/37/455833937.db2.gz PFOIDDNNGPYGJP-UHFFFAOYSA-N 1 1 331.803 3.122 40 0 EGABMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccsc3)[C@@H](C)C2)s1 ZINC000253420370 455844629 /nfs/dbraw/zinc/84/46/29/455844629.db2.gz WMAIVLFPQZWZTA-NHYWBVRUSA-N 1 1 335.498 3.153 40 0 EGABMO Cc1noc(C)c1-c1cccc(C2CC[NH+](Cc3cc[nH]n3)CC2)n1 ZINC000257228703 455880117 /nfs/dbraw/zinc/88/01/17/455880117.db2.gz FUXBGEDWJIXCBI-UHFFFAOYSA-N 1 1 337.427 3.456 40 0 EGABMO c1ncc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)s1 ZINC000257280926 455881761 /nfs/dbraw/zinc/88/17/61/455881761.db2.gz OMZFQKBTSHFXFX-OALUTQOASA-N 1 1 344.480 3.483 40 0 EGABMO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3)[N@H+]2C2CCOCC2)N1 ZINC000257298164 455885119 /nfs/dbraw/zinc/88/51/19/455885119.db2.gz RKKYXUJBQJOREC-QYZOEREBSA-N 1 1 328.456 3.040 40 0 EGABMO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000257323975 455892354 /nfs/dbraw/zinc/89/23/54/455892354.db2.gz WMQLJOBMEHRDRS-KRWDZBQOSA-N 1 1 335.411 3.481 40 0 EGABMO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000257323975 455892357 /nfs/dbraw/zinc/89/23/57/455892357.db2.gz WMQLJOBMEHRDRS-KRWDZBQOSA-N 1 1 335.411 3.481 40 0 EGABMO Cn1ccnc1C[N@H+]1CCC[C@H](Cc2ccnc3ccncc23)CC1 ZINC000257328789 455893089 /nfs/dbraw/zinc/89/30/89/455893089.db2.gz XHDJKPAURAFXMB-INIZCTEOSA-N 1 1 335.455 3.208 40 0 EGABMO c1ncc(C[N@@H+]2CCOC[C@H](Cc3ccc4ncccc4c3)C2)s1 ZINC000257336653 455894243 /nfs/dbraw/zinc/89/42/43/455894243.db2.gz YPJQLUGBQMTXMT-MRXNPFEDSA-N 1 1 339.464 3.382 40 0 EGABMO Cc1ccc(OCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1C ZINC000225178954 456074371 /nfs/dbraw/zinc/07/43/71/456074371.db2.gz NCKLYIKJYFTVCF-IBGZPJMESA-N 1 1 326.440 3.101 40 0 EGABMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1nnc(Cc2ccccc2)s1 ZINC000225596365 456096529 /nfs/dbraw/zinc/09/65/29/456096529.db2.gz UGZXLNIALGPUDJ-INIZCTEOSA-N 1 1 339.468 3.303 40 0 EGABMO C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000306144664 456569475 /nfs/dbraw/zinc/56/94/75/456569475.db2.gz ZLKROWIWYVFQCQ-VUNQQRPYSA-N 1 1 336.476 3.167 40 0 EGABMO c1cc2n(c1)C[C@H](CCOCC1CC1)C[N@H+](CC1CCOCC1)C2 ZINC000585095534 459823148 /nfs/dbraw/zinc/82/31/48/459823148.db2.gz VPBZPYMYLNERPP-LJQANCHMSA-N 1 1 332.488 3.163 40 0 EGABMO CCc1nc(C)c(C[N@H+]2CC[C@@H](OC)[C@H](Cc3cccc(F)c3)C2)[nH]1 ZINC000585277823 459832673 /nfs/dbraw/zinc/83/26/73/459832673.db2.gz PTRKSKMJABOEPV-VQIMIIECSA-N 1 1 345.462 3.499 40 0 EGABMO OCC[C@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)c1ccccc1F ZINC000647250199 461592147 /nfs/dbraw/zinc/59/21/47/461592147.db2.gz OFESQGGRTMGZOV-AWEZNQCLSA-N 1 1 339.313 3.361 40 0 EGABMO Cc1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)o1 ZINC000191687007 533921785 /nfs/dbraw/zinc/92/17/85/533921785.db2.gz MWNZBBCERGKXCW-UHFFFAOYSA-N 1 1 346.378 3.171 40 0 EGABMO Cc1ccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)o1 ZINC000191687007 533921792 /nfs/dbraw/zinc/92/17/92/533921792.db2.gz MWNZBBCERGKXCW-UHFFFAOYSA-N 1 1 346.378 3.171 40 0 EGABMO CC(C)[N@H+]1CCC[C@H]1c1cccc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257212579 535179934 /nfs/dbraw/zinc/17/99/34/535179934.db2.gz CEARBWSZRHKRRK-INIZCTEOSA-N 1 1 345.443 3.133 40 0 EGABMO CC(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1cc3ccccc3o1)CCO2 ZINC000306125563 547459940 /nfs/dbraw/zinc/45/99/40/547459940.db2.gz CUAXIOAGDQJIFP-VQTJNVASSA-N 1 1 342.439 3.083 40 0 EGABMO CC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1cc3ccccc3o1)CCO2 ZINC000306125563 547459942 /nfs/dbraw/zinc/45/99/42/547459942.db2.gz CUAXIOAGDQJIFP-VQTJNVASSA-N 1 1 342.439 3.083 40 0 EGABMO Fc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)c1F ZINC000019292704 202002866 /nfs/dbraw/zinc/00/28/66/202002866.db2.gz UHYGDKINYWFHIB-CQSZACIVSA-N 1 1 342.349 3.399 40 0 EGABMO OCC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)c(Cl)c1 ZINC000019292831 202003098 /nfs/dbraw/zinc/00/30/98/202003098.db2.gz LJMPDSPPBXDVBE-KGLIPLIRSA-N 1 1 329.271 3.024 40 0 EGABMO CCC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019499272 202008091 /nfs/dbraw/zinc/00/80/91/202008091.db2.gz ILVYYKLIYYCHFQ-DOTOQJQBSA-N 1 1 344.484 3.018 40 0 EGABMO COc1cccc(C[N@H+](Cc2ccccn2)C[C@@H]2CCOC2)c1OC ZINC000019567532 202011621 /nfs/dbraw/zinc/01/16/21/202011621.db2.gz NWJGBROQLBFDTN-INIZCTEOSA-N 1 1 342.439 3.138 40 0 EGABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1 ZINC000019554871 202011813 /nfs/dbraw/zinc/01/18/13/202011813.db2.gz REFBQVKHUCRKJG-PMSBKCLSSA-N 1 1 338.451 3.210 40 0 EGABMO CNc1ncccc1C[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000019592030 202015539 /nfs/dbraw/zinc/01/55/39/202015539.db2.gz FUYBMOWJWZMQHQ-LJQANCHMSA-N 1 1 341.455 3.313 40 0 EGABMO CNc1ncccc1C[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000019592030 202015542 /nfs/dbraw/zinc/01/55/42/202015542.db2.gz FUYBMOWJWZMQHQ-LJQANCHMSA-N 1 1 341.455 3.313 40 0 EGABMO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCC[C@H](Cn2ccnc2C)C1 ZINC000019659015 202015600 /nfs/dbraw/zinc/01/56/00/202015600.db2.gz UYJOLYAYVHWBQF-SFHVURJKSA-N 1 1 337.471 3.368 40 0 EGABMO C[C@@]1(C(=O)NC2CCCC2)CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019746696 202017958 /nfs/dbraw/zinc/01/79/58/202017958.db2.gz RPUZRLDQZUDUCU-HXUWFJFHSA-N 1 1 340.471 3.224 40 0 EGABMO CCCc1ncc(C[N@H+]2CCC[C@@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746664 202018528 /nfs/dbraw/zinc/01/85/28/202018528.db2.gz KGFZTRKJAMLKHN-HXUWFJFHSA-N 1 1 344.503 3.090 40 0 EGABMO CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CC[NH+](CC)CC1 ZINC000030757250 202197847 /nfs/dbraw/zinc/19/78/47/202197847.db2.gz PRFQGSNQXUYYCN-IBGZPJMESA-N 1 1 326.440 3.161 40 0 EGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccc(C)c(C)c1 ZINC000030855371 202199625 /nfs/dbraw/zinc/19/96/25/202199625.db2.gz SWTCNRWGPNFSKQ-UHFFFAOYSA-N 1 1 349.434 3.493 40 0 EGABMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc[nH]c3=S)CC2)cc1 ZINC000031225358 202203666 /nfs/dbraw/zinc/20/36/66/202203666.db2.gz MQCYKVJDMYQLNX-UHFFFAOYSA-N 1 1 341.480 3.027 40 0 EGABMO CC1(C)CC(N(Cc2ccccn2)C[C@@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000036740496 202330348 /nfs/dbraw/zinc/33/03/48/202330348.db2.gz AOLJFMHOBITAEO-INIZCTEOSA-N 1 1 331.504 3.229 40 0 EGABMO Cc1csc(C(C)(C)[NH2+]CC(=O)NC2(c3ccccc3)CCC2)n1 ZINC000072663127 202365793 /nfs/dbraw/zinc/36/57/93/202365793.db2.gz PTHIDVXJXAWDTH-UHFFFAOYSA-N 1 1 343.496 3.472 40 0 EGABMO COc1cccc(NC(=O)C[NH2+]C(C)(C)c2nc(C)c(C)s2)c1 ZINC000072866041 202368815 /nfs/dbraw/zinc/36/88/15/202368815.db2.gz AISXEICEYKRWGI-UHFFFAOYSA-N 1 1 333.457 3.232 40 0 EGABMO CCC(=O)N1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000075643742 202382983 /nfs/dbraw/zinc/38/29/83/202382983.db2.gz CQXTZKULIKOUSQ-UHFFFAOYSA-N 1 1 344.377 3.072 40 0 EGABMO CCC(=O)N1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000075643742 202382986 /nfs/dbraw/zinc/38/29/86/202382986.db2.gz CQXTZKULIKOUSQ-UHFFFAOYSA-N 1 1 344.377 3.072 40 0 EGABMO CCOc1ccc(Br)cc1C[NH2+]CCN(CC)CC ZINC000022075953 212277226 /nfs/dbraw/zinc/27/72/26/212277226.db2.gz SBJJAEOVMJQFPX-UHFFFAOYSA-N 1 1 329.282 3.279 40 0 EGABMO Cc1ccnc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000225744364 242015388 /nfs/dbraw/zinc/01/53/88/242015388.db2.gz ZJJFCGMNJAOBEC-UHFFFAOYSA-N 1 1 340.496 3.125 40 0 EGABMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](c2ccccc2C)C2CC2)C1 ZINC000230121482 242232867 /nfs/dbraw/zinc/23/28/67/242232867.db2.gz DKPQSDKITIUUOI-LPHOPBHVSA-N 1 1 329.488 3.429 40 0 EGABMO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072360359 203205569 /nfs/dbraw/zinc/20/55/69/203205569.db2.gz WSDNBXYQZPNLIX-KRWDZBQOSA-N 1 1 339.443 3.240 40 0 EGABMO COc1ccc(C)cc1NC(=O)C[NH+]1CCC2(COC(C)(C)C2)CC1 ZINC000257266148 244360361 /nfs/dbraw/zinc/36/03/61/244360361.db2.gz MBTYCMADZXDLDS-UHFFFAOYSA-N 1 1 346.471 3.223 40 0 EGABMO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2ccc(C)s2)ccn1 ZINC000257268389 244368044 /nfs/dbraw/zinc/36/80/44/244368044.db2.gz MLLYUNGGVTVMKP-GOSISDBHSA-N 1 1 329.469 3.425 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@]12CCN(Cc1cccnc1)C2=O ZINC000096201717 203863253 /nfs/dbraw/zinc/86/32/53/203863253.db2.gz WILRSWCVCPTOAH-DNVCBOLYSA-N 1 1 341.480 3.014 40 0 EGABMO c1coc(C[N@@H+]2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC000107205226 204227832 /nfs/dbraw/zinc/22/78/32/204227832.db2.gz WXVRLDPTPPUGOE-FHWLQOOXSA-N 1 1 328.412 3.013 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@]3(C[C@@H](Nc4cccnc4)CO3)C2)n1 ZINC000107228382 204228017 /nfs/dbraw/zinc/22/80/17/204228017.db2.gz IPUZESSZBBOFLB-UXHICEINSA-N 1 1 338.455 3.021 40 0 EGABMO Clc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)o2)cc1 ZINC000049169455 204369447 /nfs/dbraw/zinc/36/94/47/204369447.db2.gz FIHXQMKFRJIEJQ-LBPRGKRZSA-N 1 1 329.791 3.103 40 0 biogenic,in-vitro EGABMO Clc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)o2)cc1 ZINC000049169455 204369449 /nfs/dbraw/zinc/36/94/49/204369449.db2.gz FIHXQMKFRJIEJQ-LBPRGKRZSA-N 1 1 329.791 3.103 40 0 biogenic,in-vitro EGABMO Cc1noc(C)c1C[NH2+]Cc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000095410395 218347549 /nfs/dbraw/zinc/34/75/49/218347549.db2.gz YZURNTVCKKIJGP-ZIAGYGMSSA-N 1 1 329.444 3.195 40 0 EGABMO CC1(C)CCC[N@H+]1CCOC(=O)[C@](O)(c1ccccc1)C1CCCC1 ZINC000001648478 278219965 /nfs/dbraw/zinc/21/99/65/278219965.db2.gz OZMLXLPGCQFBKZ-NRFANRHFSA-N 1 1 345.483 3.482 40 0 EGABMO CN(C(=O)Cc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CCC[N@@H+](C)C1 ZINC000097097375 323214697 /nfs/dbraw/zinc/21/46/97/323214697.db2.gz NLSULLGZQMZDIC-OAHLLOKOSA-N 1 1 347.459 3.044 40 0 EGABMO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCCCCCC1 ZINC000003538908 452780436 /nfs/dbraw/zinc/78/04/36/452780436.db2.gz OIGRJIDOIKQAQG-UHFFFAOYSA-N 1 1 338.473 3.356 40 0 EGABMO COc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccccc3Cl)cc2c1 ZINC000013999176 453497349 /nfs/dbraw/zinc/49/73/49/453497349.db2.gz GCSPEOBXYIWOPH-UHFFFAOYSA-N 1 1 328.799 3.480 40 0 EGABMO COc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+](C)C)cc1Cl ZINC000015860366 453587199 /nfs/dbraw/zinc/58/71/99/453587199.db2.gz NEIUXXKTHQMLKP-AWEZNQCLSA-N 1 1 336.819 3.283 40 0 EGABMO O=C(COc1ccc(-c2ccccc2)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000028233486 453822709 /nfs/dbraw/zinc/82/27/09/453822709.db2.gz JXXOAVBUUJIRHP-IBGZPJMESA-N 1 1 336.435 3.039 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000028240509 453822867 /nfs/dbraw/zinc/82/28/67/453822867.db2.gz ZGQMGQTYSLTYPF-UHFFFAOYSA-N 1 1 335.363 3.204 40 0 EGABMO COc1ccccc1CCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000030029375 453833625 /nfs/dbraw/zinc/83/36/25/453833625.db2.gz WIJNTWXAWLGDJQ-IBGZPJMESA-N 1 1 338.451 3.143 40 0 EGABMO COc1ccccc1CCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000030029375 453833626 /nfs/dbraw/zinc/83/36/26/453833626.db2.gz WIJNTWXAWLGDJQ-IBGZPJMESA-N 1 1 338.451 3.143 40 0 EGABMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(Br)cc1 ZINC000035291733 453923203 /nfs/dbraw/zinc/92/32/03/453923203.db2.gz ZICQGYJXPARIPY-VHRNVKJDSA-N 1 1 349.272 3.337 40 0 EGABMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038832952 453942036 /nfs/dbraw/zinc/94/20/36/453942036.db2.gz MNWQSRWGKHYJHJ-IBGZPJMESA-N 1 1 340.442 3.397 40 0 EGABMO C=Cn1ncc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)c1C ZINC000043568725 454068368 /nfs/dbraw/zinc/06/83/68/454068368.db2.gz LKZRMHKLPWTMBV-SFTDATJTSA-N 1 1 336.483 3.183 40 0 EGABMO OCC[N@H+](Cc1cccn1-c1cccc(F)c1)Cc1cccnc1 ZINC000056699364 454075040 /nfs/dbraw/zinc/07/50/40/454075040.db2.gz KURXVAYQEBOQMP-UHFFFAOYSA-N 1 1 325.387 3.006 40 0 EGABMO OCC[N@@H+](Cc1cccn1-c1cccc(F)c1)Cc1cccnc1 ZINC000056699364 454075044 /nfs/dbraw/zinc/07/50/44/454075044.db2.gz KURXVAYQEBOQMP-UHFFFAOYSA-N 1 1 325.387 3.006 40 0 EGABMO CCOc1cc([C@@H]([NH3+])c2nc(-c3ccccc3F)n[nH]2)ccc1OC ZINC000095534425 454230193 /nfs/dbraw/zinc/23/01/93/454230193.db2.gz OAUAVNFQAMYAJP-MRXNPFEDSA-N 1 1 342.374 3.066 40 0 EGABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccoc3C)n[nH]2)cc1OCC ZINC000095534535 454231218 /nfs/dbraw/zinc/23/12/18/454231218.db2.gz MTNWATBVMUHZOE-MRXNPFEDSA-N 1 1 342.399 3.219 40 0 EGABMO CC(C)(C)OC(=O)N1CC(=O)[C@@]2(C)CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000095951585 454236335 /nfs/dbraw/zinc/23/63/35/454236335.db2.gz NVSYBCWLEHPHQA-JXFKEZNVSA-N 1 1 344.455 3.087 40 0 biogenic EGABMO C[NH+]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)cc2)CC1 ZINC000059842883 454262456 /nfs/dbraw/zinc/26/24/56/454262456.db2.gz XNDXIEOXPVRWLD-UHFFFAOYSA-N 1 1 337.448 3.351 40 0 EGABMO Cc1cc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)oc1C ZINC000096041736 454267071 /nfs/dbraw/zinc/26/70/71/454267071.db2.gz FKMSSKDJHZBIRV-XUVXKRRUSA-N 1 1 342.439 3.240 40 0 EGABMO Cc1cc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)oc1C ZINC000096041736 454267074 /nfs/dbraw/zinc/26/70/74/454267074.db2.gz FKMSSKDJHZBIRV-XUVXKRRUSA-N 1 1 342.439 3.240 40 0 EGABMO Cc1ccsc1C[N@H+]1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096045831 454267708 /nfs/dbraw/zinc/26/77/08/454267708.db2.gz MHEXONKGNOHZNO-MELADBBJSA-N 1 1 331.441 3.279 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)o1 ZINC000096045980 454268446 /nfs/dbraw/zinc/26/84/46/454268446.db2.gz RGOIVBPUJIRGGQ-CWRNSKLLSA-N 1 1 329.400 3.201 40 0 EGABMO c1cc(C[N@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)cs1 ZINC000096048240 454271570 /nfs/dbraw/zinc/27/15/70/454271570.db2.gz RYGMJMVSWIKWKK-QZTJIDSGSA-N 1 1 330.453 3.346 40 0 EGABMO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@@H+](Cc1cccs1)C2 ZINC000096048614 454271605 /nfs/dbraw/zinc/27/16/05/454271605.db2.gz JWHIJUWUPVUJJY-IBGZPJMESA-N 1 1 341.480 3.158 40 0 EGABMO Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccsc2)C3)nn1 ZINC000096048443 454271698 /nfs/dbraw/zinc/27/16/98/454271698.db2.gz XKXNPPZXEKWQKL-FUHWJXTLSA-N 1 1 344.484 3.082 40 0 EGABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1cccs1)CC2 ZINC000096051770 454273014 /nfs/dbraw/zinc/27/30/14/454273014.db2.gz FZPDXWQUJUYSKP-OAHLLOKOSA-N 1 1 336.501 3.100 40 0 EGABMO Cn1cc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)cn1 ZINC000096051102 454273118 /nfs/dbraw/zinc/27/31/18/454273118.db2.gz BEQUKDFONJKZBW-SFHVURJKSA-N 1 1 346.425 3.158 40 0 EGABMO c1coc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC000096057056 454274033 /nfs/dbraw/zinc/27/40/33/454274033.db2.gz BUNNGOZKQABPMI-IEBWSBKVSA-N 1 1 328.412 3.125 40 0 EGABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000072227933 454276447 /nfs/dbraw/zinc/27/64/47/454276447.db2.gz PHKCMROFDPQHPW-SJORKVTESA-N 1 1 330.815 3.326 40 0 EGABMO COc1cccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)c1 ZINC000072227797 454276503 /nfs/dbraw/zinc/27/65/03/454276503.db2.gz MGIXLOJDMLCGNH-CABCVRRESA-N 1 1 337.206 3.417 40 0 EGABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]21 ZINC000096058328 454277069 /nfs/dbraw/zinc/27/70/69/454277069.db2.gz GIKCZJPDPYUMAW-UFYCRDLUSA-N 1 1 335.451 3.332 40 0 EGABMO CCOC[C@@H]1CCC2(CCN(C(=O)/C=C/c3cccs3)CC2)[N@H+]1C ZINC000096207881 454304286 /nfs/dbraw/zinc/30/42/86/454304286.db2.gz CXGDFZIGSPOVFP-MOEXGYKKSA-N 1 1 348.512 3.253 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)o1 ZINC000096206110 454304677 /nfs/dbraw/zinc/30/46/77/454304677.db2.gz DQHABEKVKMDZCP-QUCCMNQESA-N 1 1 341.455 3.466 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)o1 ZINC000096208546 454305736 /nfs/dbraw/zinc/30/57/36/454305736.db2.gz KXEZBGISYPFPTD-UXHICEINSA-N 1 1 349.471 3.155 40 0 EGABMO Cc1nc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccco2)C3)cs1 ZINC000096216645 454307879 /nfs/dbraw/zinc/30/78/79/454307879.db2.gz VBAWUBWIJUOTSS-GOSISDBHSA-N 1 1 345.468 3.173 40 0 EGABMO Cc1nc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccco2)C3)cs1 ZINC000096216645 454307883 /nfs/dbraw/zinc/30/78/83/454307883.db2.gz VBAWUBWIJUOTSS-GOSISDBHSA-N 1 1 345.468 3.173 40 0 EGABMO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000096245499 454311584 /nfs/dbraw/zinc/31/15/84/454311584.db2.gz CCKWABDQABBHND-OKILXGFUSA-N 1 1 347.871 3.001 40 0 EGABMO O=C1N(c2ccccc2)C[C@H]2C[N@@H+](Cc3c[nH]c4ccccc34)CCN12 ZINC000096297109 454317363 /nfs/dbraw/zinc/31/73/63/454317363.db2.gz CJNFDKVSGDSZKK-GOSISDBHSA-N 1 1 346.434 3.294 40 0 biogenic,in-vitro EGABMO O=C1N(c2ccccc2)C[C@H]2C[N@H+](Cc3c[nH]c4ccccc34)CCN12 ZINC000096297109 454317370 /nfs/dbraw/zinc/31/73/70/454317370.db2.gz CJNFDKVSGDSZKK-GOSISDBHSA-N 1 1 346.434 3.294 40 0 biogenic,in-vitro EGABMO C[N@@H+](CCOC[C@H]1CCCO1)[C@@H](c1ccccc1)c1ccccn1 ZINC000096421123 454336475 /nfs/dbraw/zinc/33/64/75/454336475.db2.gz NFDUSHVADZQGKA-QUCCMNQESA-N 1 1 326.440 3.298 40 0 EGABMO O=C(CC[C@@H]1CCCOC1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000096449529 454355336 /nfs/dbraw/zinc/35/53/36/454355336.db2.gz ZZQOGSAQSIVZRO-KRWDZBQOSA-N 1 1 348.462 3.067 40 0 EGABMO O=C(CC[C@@H]1CCCOC1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000096449529 454355341 /nfs/dbraw/zinc/35/53/41/454355341.db2.gz ZZQOGSAQSIVZRO-KRWDZBQOSA-N 1 1 348.462 3.067 40 0 EGABMO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1Oc1ccncc1 ZINC000079361764 454402242 /nfs/dbraw/zinc/40/22/42/454402242.db2.gz HONKKXNBSCADNX-MRXNPFEDSA-N 1 1 339.439 3.206 40 0 EGABMO CC[N@H+]1CC[C@H](N(C)C(=O)CCc2ccc(O)c(Cl)c2)[C@H](C)C1 ZINC000097374633 454434684 /nfs/dbraw/zinc/43/46/84/454434684.db2.gz JPTJRAAMKSHGKH-CJNGLKHVSA-N 1 1 338.879 3.167 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000065286856 454549661 /nfs/dbraw/zinc/54/96/61/454549661.db2.gz VDOLYRAUYWEUNQ-MRXNPFEDSA-N 1 1 337.427 3.456 40 0 EGABMO C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(F)cn1 ZINC000092742282 454624200 /nfs/dbraw/zinc/62/42/00/454624200.db2.gz CQCGJSIBMOWRHQ-NWDGAFQWSA-N 1 1 337.420 3.004 40 0 EGABMO OCc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000093840962 454740146 /nfs/dbraw/zinc/74/01/46/454740146.db2.gz QUZJWTGOXNJOEX-CYBMUJFWSA-N 1 1 332.469 3.487 40 0 EGABMO Cn1ccnc1[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000180642140 455216326 /nfs/dbraw/zinc/21/63/26/455216326.db2.gz FNSNBNVMNHCBNB-YOEHRIQHSA-N 1 1 332.879 3.094 40 0 EGABMO Fc1ccccc1C[NH+]1CC2(C1)C[C@H](OCc1ccncc1)CS2 ZINC000247511441 455615972 /nfs/dbraw/zinc/61/59/72/455615972.db2.gz IKHFJEGZZQXYQF-KRWDZBQOSA-N 1 1 344.455 3.497 40 0 EGABMO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000248029664 455672202 /nfs/dbraw/zinc/67/22/02/455672202.db2.gz LLWIZLBKLBCCPJ-OAHLLOKOSA-N 1 1 347.509 3.123 40 0 EGABMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000248995390 455740960 /nfs/dbraw/zinc/74/09/60/455740960.db2.gz ORCSFXHMEXVXFA-NVXWUHKLSA-N 1 1 330.428 3.099 40 0 EGABMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1C[C@H]1CCC=CO1 ZINC000248995390 455740962 /nfs/dbraw/zinc/74/09/62/455740962.db2.gz ORCSFXHMEXVXFA-NVXWUHKLSA-N 1 1 330.428 3.099 40 0 EGABMO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000253370252 455835329 /nfs/dbraw/zinc/83/53/29/455835329.db2.gz OFPGUFMZCDPUAK-TYCQWZJGSA-N 1 1 346.515 3.071 40 0 EGABMO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000253392415 455838305 /nfs/dbraw/zinc/83/83/05/455838305.db2.gz CHKFCAQBEWVRHP-UONOGXRCSA-N 1 1 334.489 3.183 40 0 EGABMO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000253392415 455838311 /nfs/dbraw/zinc/83/83/11/455838311.db2.gz CHKFCAQBEWVRHP-UONOGXRCSA-N 1 1 334.489 3.183 40 0 EGABMO CCc1[nH+]ccn1[C@H]1CCCN([C@H](C(=O)OC)c2ccsc2)C1 ZINC000253396867 455839254 /nfs/dbraw/zinc/83/92/54/455839254.db2.gz RKYLEWBNGAJUQG-HOCLYGCPSA-N 1 1 333.457 3.058 40 0 EGABMO COC[C@H](C)C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000187091060 455869695 /nfs/dbraw/zinc/86/96/95/455869695.db2.gz PFHMTVSESNIZMK-CQSZACIVSA-N 1 1 339.867 3.162 40 0 EGABMO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@@H+](C)CC3CC3)CC2)nn1C ZINC000257255089 455880942 /nfs/dbraw/zinc/88/09/42/455880942.db2.gz KGBFWTIIBYVIQU-IYARVYRRSA-N 1 1 346.519 3.014 40 0 EGABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1cccc(F)c1 ZINC000257296529 455885234 /nfs/dbraw/zinc/88/52/34/455885234.db2.gz RDFCXJXGVMJYJG-ZNWBIBPKSA-N 1 1 346.446 3.068 40 0 EGABMO Cc1cnc(C[N@H+]2CCC[C@@H](Cc3nccn4cccc34)CC2)cn1 ZINC000257305672 455888120 /nfs/dbraw/zinc/88/81/20/455888120.db2.gz SQZJDPATBCEQGN-QGZVFWFLSA-N 1 1 335.455 3.278 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@@H](Cc3cnc(-c4ncc[nH]4)cn3)C2)n1 ZINC000257311696 455889131 /nfs/dbraw/zinc/88/91/31/455889131.db2.gz UKQRHTJNYNXITD-INIZCTEOSA-N 1 1 348.454 3.025 40 0 EGABMO Cn1ccnc1C[NH+]1CCC(c2ccnc(Nc3ccccn3)c2)CC1 ZINC000257329549 455893550 /nfs/dbraw/zinc/89/35/50/455893550.db2.gz XKKQDIHFNBORBC-UHFFFAOYSA-N 1 1 348.454 3.333 40 0 EGABMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccco1 ZINC000195552395 455984331 /nfs/dbraw/zinc/98/43/31/455984331.db2.gz NFZAZTFUNYIKFF-GOEBONIOSA-N 1 1 327.428 3.150 40 0 EGABMO c1ccc(Nc2ncc3c(n2)[C@@]2(CC[N@H+](CC4CC4)C2)COC3)cc1 ZINC000306138328 456568020 /nfs/dbraw/zinc/56/80/20/456568020.db2.gz RUYRGWSEYQBUAL-HXUWFJFHSA-N 1 1 336.439 3.104 40 0 EGABMO CC(C)CC[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000514289790 458797889 /nfs/dbraw/zinc/79/78/89/458797889.db2.gz FQNWAVSCXZUJKW-IRFCIJBXSA-N 1 1 344.499 3.125 40 0 biogenic,in-vitro EGABMO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@H+](CC(C)C)CC2 ZINC000585099897 459823038 /nfs/dbraw/zinc/82/30/38/459823038.db2.gz VUWBKJXPRFLPTC-IBGZPJMESA-N 1 1 333.476 3.295 40 0 EGABMO Fc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)cc1 ZINC000585105528 459825339 /nfs/dbraw/zinc/82/53/39/459825339.db2.gz YYAZAHHEWRKUNV-GOSISDBHSA-N 1 1 344.455 3.497 40 0 EGABMO CCOCCOc1ccc(C[N@@H+](C)C[C@H](O)c2ccccc2)cc1 ZINC000585269621 459832226 /nfs/dbraw/zinc/83/22/26/459832226.db2.gz CNBIIDWSNSSUHO-FQEVSTJZSA-N 1 1 329.440 3.267 40 0 EGABMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)[C@H](CO)[C@@H]1O ZINC000585295170 459834174 /nfs/dbraw/zinc/83/41/74/459834174.db2.gz OGCFHJOVENGGIQ-ATZDWAIDSA-N 1 1 349.833 3.109 40 0 EGABMO CC[N@H+](C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575419547 459973694 /nfs/dbraw/zinc/97/36/94/459973694.db2.gz IJKCKHAPNSPXOL-SFHVURJKSA-N 1 1 329.465 3.285 40 0 EGABMO CC[N@@H+](C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575419547 459973697 /nfs/dbraw/zinc/97/36/97/459973697.db2.gz IJKCKHAPNSPXOL-SFHVURJKSA-N 1 1 329.465 3.285 40 0 EGABMO Cc1cnc(CC[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000187707868 534545920 /nfs/dbraw/zinc/54/59/20/534545920.db2.gz LGHUJPMKDJLVKK-ZDUSSCGKSA-N 1 1 338.498 3.091 40 0 EGABMO Cc1cnc(CC[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000187707868 534545924 /nfs/dbraw/zinc/54/59/24/534545924.db2.gz LGHUJPMKDJLVKK-ZDUSSCGKSA-N 1 1 338.498 3.091 40 0 EGABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)cc(=O)[nH]1 ZINC000019285221 202002077 /nfs/dbraw/zinc/00/20/77/202002077.db2.gz NPLGFLKLKSMENZ-LBPRGKRZSA-N 1 1 338.238 3.375 40 0 EGABMO OCC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1Cl ZINC000019292605 202002859 /nfs/dbraw/zinc/00/28/59/202002859.db2.gz RMKVILGTPGRSHW-KGLIPLIRSA-N 1 1 329.271 3.024 40 0 EGABMO CCCn1ncc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CCSC)c1C ZINC000019525958 202010026 /nfs/dbraw/zinc/01/00/26/202010026.db2.gz JGPRZYUHPUAYDD-ROUUACIJSA-N 1 1 336.549 3.003 40 0 EGABMO C[C@@H](CNC(=O)c1ccc(Br)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000040108048 202169510 /nfs/dbraw/zinc/16/95/10/202169510.db2.gz LLAZDTFCIPMRPW-STQMWFEESA-N 1 1 339.277 3.299 40 0 EGABMO C[C@@H]1C[C@@H](OC[C@@H](O)C[N@@H+](CCO)Cc2ccccc2)CC(C)(C)C1 ZINC000033526502 202267232 /nfs/dbraw/zinc/26/72/32/202267232.db2.gz FKQLTXLKHRPMII-YZGWKJHDSA-N 1 1 349.515 3.073 40 0 EGABMO CC1(C)CC(N(Cc2cccnc2)C[C@@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000036740533 202330553 /nfs/dbraw/zinc/33/05/53/202330553.db2.gz ZNPDZBXOURCDQN-KRWDZBQOSA-N 1 1 331.504 3.229 40 0 EGABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000036740314 202330975 /nfs/dbraw/zinc/33/09/75/202330975.db2.gz MCPJTLFFMSPFAC-UHFFFAOYSA-N 1 1 336.439 3.379 40 0 EGABMO COc1ccccc1[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000073884779 202367711 /nfs/dbraw/zinc/36/77/11/202367711.db2.gz KFFTWQOCXGYKRG-MRXNPFEDSA-N 1 1 341.455 3.421 40 0 EGABMO COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1Br ZINC000072324572 202364255 /nfs/dbraw/zinc/36/42/55/202364255.db2.gz FHEYWCHCHCCOSJ-JSGCOSHPSA-N 1 1 339.277 3.126 40 0 EGABMO FC(F)Oc1ccc([C@H]2C[N@H+](CCc3ccccn3)CCO2)cc1 ZINC000253420955 243958402 /nfs/dbraw/zinc/95/84/02/243958402.db2.gz PIADRUQLCUACPT-QGZVFWFLSA-N 1 1 334.366 3.299 40 0 EGABMO FC(F)Oc1ccc([C@H]2C[N@@H+](CCc3ccccn3)CCO2)cc1 ZINC000253420955 243958409 /nfs/dbraw/zinc/95/84/09/243958409.db2.gz PIADRUQLCUACPT-QGZVFWFLSA-N 1 1 334.366 3.299 40 0 EGABMO Cc1ccsc1C[NH+]1CC2(C1)OCC[C@H]2COCc1ccncc1 ZINC000253598770 244030863 /nfs/dbraw/zinc/03/08/63/244030863.db2.gz GYJFSJZQIOKPEB-KRWDZBQOSA-N 1 1 344.480 3.259 40 0 EGABMO c1cc2nccc(C[C@H]3CCC[N@H+](C4CCOCC4)CC3)c2cn1 ZINC000257217401 244171998 /nfs/dbraw/zinc/17/19/98/244171998.db2.gz CYTVVHVSVABXRD-INIZCTEOSA-N 1 1 325.456 3.453 40 0 EGABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000257232588 244217375 /nfs/dbraw/zinc/21/73/75/244217375.db2.gz GLNRARLZERELAN-LJQANCHMSA-N 1 1 327.403 3.194 40 0 EGABMO NC(=O)c1csc(C[N@H+]2CCC[C@H](COc3ccccc3)C2)c1 ZINC000093364784 203185806 /nfs/dbraw/zinc/18/58/06/203185806.db2.gz ANHHOUVGIAVLBT-AWEZNQCLSA-N 1 1 330.453 3.138 40 0 EGABMO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)CC[C@]12CCCO2 ZINC000257237154 244233173 /nfs/dbraw/zinc/23/31/73/244233173.db2.gz HFISYHIYSSTHRW-UYAOXDASSA-N 1 1 346.471 3.018 40 0 EGABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(C)C)cc2)CC[C@]12CCCO2 ZINC000257237154 244233177 /nfs/dbraw/zinc/23/31/77/244233177.db2.gz HFISYHIYSSTHRW-UYAOXDASSA-N 1 1 346.471 3.018 40 0 EGABMO Cc1ccc(NC(=O)CCc2cc(C)nc([C@@H]3CCC[N@@H+]3C)c2)nc1 ZINC000072366963 203207623 /nfs/dbraw/zinc/20/76/23/203207623.db2.gz FERHRFVVGXQOCE-SFHVURJKSA-N 1 1 338.455 3.431 40 0 EGABMO Cc1ccc(C[NH2+]Cc2cc(-c3cccc(C)c3)cn3nnnc23)o1 ZINC000072392687 203213316 /nfs/dbraw/zinc/21/33/16/203213316.db2.gz BEWHVBSVSWRMPO-UHFFFAOYSA-N 1 1 333.395 3.291 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)co1 ZINC000107205233 204227495 /nfs/dbraw/zinc/22/74/95/204227495.db2.gz XBMFUVGVUYIUCW-FHWLQOOXSA-N 1 1 328.412 3.013 40 0 EGABMO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000107249341 204229860 /nfs/dbraw/zinc/22/98/60/204229860.db2.gz AFNXCDIAIYIGBI-IEBWSBKVSA-N 1 1 340.854 3.225 40 0 EGABMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1Br ZINC000046860127 204336719 /nfs/dbraw/zinc/33/67/19/204336719.db2.gz BWJBHJFQIAKTLM-GFCCVEGCSA-N 1 1 325.250 3.053 40 0 EGABMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C[C@H]2C=CCC2)C[C@@H](C)O1 ZINC000048325807 204345832 /nfs/dbraw/zinc/34/58/32/204345832.db2.gz JWTXGYMGENZXQG-KURKYZTESA-N 1 1 342.483 3.268 40 0 EGABMO Fc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1F ZINC000049169659 204369955 /nfs/dbraw/zinc/36/99/55/204369955.db2.gz CLAZCMLDPWDIOM-AWEZNQCLSA-N 1 1 342.349 3.399 40 0 biogenic,in-vitro EGABMO COc1ccc(CCC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048267436 204342957 /nfs/dbraw/zinc/34/29/57/204342957.db2.gz RHZVEDBZYZVHDE-CALCHBBNSA-N 1 1 332.488 3.112 40 0 EGABMO Cc1ccc(NC(=O)[C@H]2CCCN(c3cc[nH+]cc3Cl)C2)nc1 ZINC000267400905 251022809 /nfs/dbraw/zinc/02/28/09/251022809.db2.gz PMTMAFZCZGFWMV-ZDUSSCGKSA-N 1 1 330.819 3.294 40 0 EGABMO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccccn1 ZINC000097231548 219000285 /nfs/dbraw/zinc/00/02/85/219000285.db2.gz MIRSCLNRESJXPM-BDJLRTHQSA-N 1 1 333.794 3.330 40 0 EGABMO CCc1onc(C)c1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000119282794 221284828 /nfs/dbraw/zinc/28/48/28/221284828.db2.gz YUHVTNHFIVRUPX-BBRMVZONSA-N 1 1 342.443 3.187 40 0 EGABMO CCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]32)N=C1C ZINC000096261444 276148280 /nfs/dbraw/zinc/14/82/80/276148280.db2.gz CWSDQKYMKNUMHY-HHXXYDBFSA-N 1 1 345.874 3.201 40 0 EGABMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCOC2)cc1 ZINC000288457626 276216116 /nfs/dbraw/zinc/21/61/16/276216116.db2.gz GDCGCTFJYQPEFK-QFBILLFUSA-N 1 1 345.487 3.039 40 0 EGABMO C[N@H+]1CCC[C@H](CNC(=O)Nc2nccs2)[C@@H]1c1cccs1 ZINC000096433655 277073794 /nfs/dbraw/zinc/07/37/94/277073794.db2.gz AKUGBXNTCMXDRE-DGCLKSJQSA-N 1 1 336.486 3.409 40 0 EGABMO Cc1cccc(N2CCC[C@@H](NC(=O)c3c(F)cccc3F)C2)[nH+]1 ZINC000257327633 281226639 /nfs/dbraw/zinc/22/66/39/281226639.db2.gz XCDGBLWMDRKPHU-CYBMUJFWSA-N 1 1 331.366 3.067 40 0 EGABMO COc1ccc([C@@H](C[NH+](C)C)NCc2ccc(NC(C)=O)cc2)cc1 ZINC000241634648 455268802 /nfs/dbraw/zinc/26/88/02/455268802.db2.gz PNZXJAITYWQFHQ-HXUWFJFHSA-N 1 1 341.455 3.046 40 0 EGABMO C[C@H]1CCCC[N@H+]1CCCNc1c(C=O)c(=O)[nH]c2ccccc21 ZINC000006681838 452970049 /nfs/dbraw/zinc/97/00/49/452970049.db2.gz JEYRGHGYBAVUFD-AWEZNQCLSA-N 1 1 327.428 3.429 40 0 EGABMO COc1cccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc(C)on2)c1 ZINC000009980193 453268877 /nfs/dbraw/zinc/26/88/77/453268877.db2.gz HOOAKZSKMXCEGQ-INIZCTEOSA-N 1 1 329.400 3.157 40 0 EGABMO COc1ccc(C[N@@H+](Cc2cccnc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012118235 453345929 /nfs/dbraw/zinc/34/59/29/453345929.db2.gz YLCHZAGNTLULBW-LJQANCHMSA-N 1 1 342.439 3.280 40 0 EGABMO COc1ccc(C[N@H+](Cc2cccnc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012118235 453345937 /nfs/dbraw/zinc/34/59/37/453345937.db2.gz YLCHZAGNTLULBW-LJQANCHMSA-N 1 1 342.439 3.280 40 0 EGABMO O=c1oc2ccc(Cl)cc2n1C1CC[NH+](Cc2cccnc2)CC1 ZINC000012143882 453347527 /nfs/dbraw/zinc/34/75/27/453347527.db2.gz GDFVZUQAVKYJJL-UHFFFAOYSA-N 1 1 343.814 3.480 40 0 EGABMO Cc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+](C)C)o1 ZINC000015860136 453587637 /nfs/dbraw/zinc/58/76/37/453587637.db2.gz NHCNGCWCERCKLE-KRWDZBQOSA-N 1 1 330.428 3.003 40 0 EGABMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(SC)cc3)sc2C1 ZINC000016837666 453623568 /nfs/dbraw/zinc/62/35/68/453623568.db2.gz NZOYSNHCMMQOKE-UHFFFAOYSA-N 1 1 333.482 3.495 40 0 EGABMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(SC)cc3)sc2C1 ZINC000016837666 453623571 /nfs/dbraw/zinc/62/35/71/453623571.db2.gz NZOYSNHCMMQOKE-UHFFFAOYSA-N 1 1 333.482 3.495 40 0 EGABMO C[N@H+]1CCCC[C@@H]1C1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000019746572 453659808 /nfs/dbraw/zinc/65/98/08/453659808.db2.gz DLSKXDZYAPGJJG-QGZVFWFLSA-N 1 1 344.484 3.028 40 0 EGABMO OCC[N@H+](Cc1cccn1-c1ccc(F)cc1)Cc1cccnc1 ZINC000056695721 454075050 /nfs/dbraw/zinc/07/50/50/454075050.db2.gz WAQMBLXZLPLFDJ-UHFFFAOYSA-N 1 1 325.387 3.006 40 0 EGABMO OCC[N@@H+](Cc1cccn1-c1ccc(F)cc1)Cc1cccnc1 ZINC000056695721 454075054 /nfs/dbraw/zinc/07/50/54/454075054.db2.gz WAQMBLXZLPLFDJ-UHFFFAOYSA-N 1 1 325.387 3.006 40 0 EGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCOc2ccc(C)cc2)cc1 ZINC000044908955 454126506 /nfs/dbraw/zinc/12/65/06/454126506.db2.gz RHZANHDRIZQHIZ-UHFFFAOYSA-N 1 1 349.434 3.357 40 0 EGABMO Cc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000119680720 454213678 /nfs/dbraw/zinc/21/36/78/454213678.db2.gz PKUJKIBEIOCUHU-KRWDZBQOSA-N 1 1 343.496 3.022 40 0 EGABMO O[C@H](CNc1nc2ccccc2s1)C[N@H+]1CCc2ccccc2C1 ZINC000046479053 454254794 /nfs/dbraw/zinc/25/47/94/454254794.db2.gz OANALHLMQZYHST-MRXNPFEDSA-N 1 1 339.464 3.127 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)o1 ZINC000096038670 454265263 /nfs/dbraw/zinc/26/52/63/454265263.db2.gz AJWAMYVIGCIZGV-AABGKKOBSA-N 1 1 349.471 3.153 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)co1 ZINC000096040089 454266974 /nfs/dbraw/zinc/26/69/74/454266974.db2.gz CNHUYGNMIJEEPX-WOJBJXKFSA-N 1 1 342.439 3.263 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)co1 ZINC000096040090 454266994 /nfs/dbraw/zinc/26/69/94/454266994.db2.gz CNHUYGNMIJEEPX-PMACEKPBSA-N 1 1 342.439 3.263 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)co1 ZINC000096039979 454267199 /nfs/dbraw/zinc/26/71/99/454267199.db2.gz OAFDTTLQWVUFQE-RBUKOAKNSA-N 1 1 328.412 3.125 40 0 EGABMO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@@H+](Cc1cccs1)C2 ZINC000096048651 454271924 /nfs/dbraw/zinc/27/19/24/454271924.db2.gz DLWKXQMBKZAGIY-LJQANCHMSA-N 1 1 341.480 3.158 40 0 EGABMO c1coc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC000096057058 454275340 /nfs/dbraw/zinc/27/53/40/454275340.db2.gz BUNNGOZKQABPMI-PKOBYXMFSA-N 1 1 328.412 3.125 40 0 EGABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000072227920 454276102 /nfs/dbraw/zinc/27/61/02/454276102.db2.gz MWNLUKWEXPQSBC-HUUCEWRRSA-N 1 1 337.206 3.417 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)s1 ZINC000096065711 454278994 /nfs/dbraw/zinc/27/89/94/454278994.db2.gz FASLJPYCPPGTNK-FHWLQOOXSA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)s1 ZINC000096065711 454278995 /nfs/dbraw/zinc/27/89/95/454278995.db2.gz FASLJPYCPPGTNK-FHWLQOOXSA-N 1 1 344.480 3.400 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2OC)cc1 ZINC000096110551 454286746 /nfs/dbraw/zinc/28/67/46/454286746.db2.gz HNOUKBKHHYFUOK-ICSRJNTNSA-N 1 1 326.440 3.170 40 0 EGABMO c1csc(CN2CCO[C@H](c3[nH+]cn4c3cccc4C3CC3)C2)n1 ZINC000096155862 454294638 /nfs/dbraw/zinc/29/46/38/454294638.db2.gz KQKRKEQSZBVKID-INIZCTEOSA-N 1 1 340.452 3.242 40 0 EGABMO CN(Cc1ccccn1)[C@H]1CCC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096183045 454298496 /nfs/dbraw/zinc/29/84/96/454298496.db2.gz OQPMANAZTODYKP-GIVPXCGWSA-N 1 1 336.483 3.209 40 0 EGABMO C[N@H+](Cc1ccccn1)[C@H]1CCC[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096183045 454298500 /nfs/dbraw/zinc/29/85/00/454298500.db2.gz OQPMANAZTODYKP-GIVPXCGWSA-N 1 1 336.483 3.209 40 0 EGABMO C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096183045 454298503 /nfs/dbraw/zinc/29/85/03/454298503.db2.gz OQPMANAZTODYKP-GIVPXCGWSA-N 1 1 336.483 3.209 40 0 EGABMO COCCO[C@H]1CC[N@@H+](Cc2c(C)noc2C)[C@H]1Cc1ccccc1 ZINC000096200409 454301974 /nfs/dbraw/zinc/30/19/74/454301974.db2.gz RQBUQQAKKIIQOF-PMACEKPBSA-N 1 1 344.455 3.140 40 0 EGABMO CN1CC[C@]2(C[N@@H+](Cc3cccs3)C[C@H]2c2ccccc2)C1=O ZINC000096201839 454302707 /nfs/dbraw/zinc/30/27/07/454302707.db2.gz CFTJMQJELNHXNW-PKOBYXMFSA-N 1 1 326.465 3.196 40 0 EGABMO O=C(c1ccncc1)N1CCC2(C[NH+](Cc3ccc(Cl)cc3)C2)C1 ZINC000096202460 454303188 /nfs/dbraw/zinc/30/31/88/454303188.db2.gz VTBRKAKPCCITJD-UHFFFAOYSA-N 1 1 341.842 3.083 40 0 EGABMO Cc1nc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cs1 ZINC000096215372 454305433 /nfs/dbraw/zinc/30/54/33/454305433.db2.gz CLJIUHRXPSPPCS-IBGZPJMESA-N 1 1 349.544 3.166 40 0 EGABMO C[N@H+](Cc1cccnc1)C[C@@H]1CC12CCN(C(=O)c1ccco1)CC2 ZINC000096238324 454310273 /nfs/dbraw/zinc/31/02/73/454310273.db2.gz OLJWJFCYEDWVGG-KRWDZBQOSA-N 1 1 339.439 3.049 40 0 EGABMO Cn1ccnc1CN1CCC2(CC[C@H]([NH+](C)C)c3ccccc32)CC1 ZINC000096242653 454311602 /nfs/dbraw/zinc/31/16/02/454311602.db2.gz AQHHXWSMMKTPGT-IBGZPJMESA-N 1 1 338.499 3.350 40 0 EGABMO Cc1nc(COC[C@@H]2C[C@H]3OCC[N@H+](Cc4ccoc4)[C@H]3C2)cs1 ZINC000096250659 454311855 /nfs/dbraw/zinc/31/18/55/454311855.db2.gz XOORUXDUYOYWKX-RYQLBKOJSA-N 1 1 348.468 3.241 40 0 EGABMO Cc1nc(COC[C@@H]2C[C@H]3OCC[N@@H+](Cc4ccoc4)[C@H]3C2)cs1 ZINC000096250659 454311857 /nfs/dbraw/zinc/31/18/57/454311857.db2.gz XOORUXDUYOYWKX-RYQLBKOJSA-N 1 1 348.468 3.241 40 0 EGABMO Cc1ccc(CC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000096444854 454351797 /nfs/dbraw/zinc/35/17/97/454351797.db2.gz CQMYRDIJXVGLMJ-FQEVSTJZSA-N 1 1 337.467 3.056 40 0 EGABMO Cc1ccnc(NC(=O)C2CC[NH+](Cc3ccncc3Cl)CC2)c1 ZINC000096445673 454352939 /nfs/dbraw/zinc/35/29/39/454352939.db2.gz XYKNYHQTUUAMRH-UHFFFAOYSA-N 1 1 344.846 3.289 40 0 EGABMO COc1ccccc1CC[N@@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000079090657 454367382 /nfs/dbraw/zinc/36/73/82/454367382.db2.gz IKMAQZLWORQPNO-CQSZACIVSA-N 1 1 338.411 3.376 40 0 EGABMO C[C@H]([NH2+]Cc1ccncc1Cl)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096491998 454369573 /nfs/dbraw/zinc/36/95/73/454369573.db2.gz YOTHJWGJAJUXKG-JTQLQIEISA-N 1 1 342.823 3.128 40 0 EGABMO C[N@H+](Cc1ccc(Br)c2cccnc12)C[C@@H]1CCOC1 ZINC000096497175 454371134 /nfs/dbraw/zinc/37/11/34/454371134.db2.gz UVMUQJVWDVIESR-LBPRGKRZSA-N 1 1 335.245 3.466 40 0 EGABMO C[NH+](C)[C@@H](C(=O)NCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000144240985 454847698 /nfs/dbraw/zinc/84/76/98/454847698.db2.gz DLNYWTGVADSRPM-QGZVFWFLSA-N 1 1 332.831 3.138 40 0 EGABMO COCc1c(Cl)cccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000245287336 455281725 /nfs/dbraw/zinc/28/17/25/455281725.db2.gz BZQVIIYBNCHSHD-OLZOCXBDSA-N 1 1 337.851 3.187 40 0 EGABMO CCCCNC(=O)C1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000191233975 455468244 /nfs/dbraw/zinc/46/82/44/455468244.db2.gz CLHARBLCSGQJKG-UHFFFAOYSA-N 1 1 343.265 3.170 40 0 EGABMO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ncnn1-c1ccccc1)c1ccccc1 ZINC000253396485 455839202 /nfs/dbraw/zinc/83/92/02/455839202.db2.gz HVDZCRJBEOHLHJ-PMACEKPBSA-N 1 1 348.450 3.355 40 0 EGABMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ncnn1-c1ccccc1)c1ccccc1 ZINC000253396485 455839203 /nfs/dbraw/zinc/83/92/03/455839203.db2.gz HVDZCRJBEOHLHJ-PMACEKPBSA-N 1 1 348.450 3.355 40 0 EGABMO Cc1ncc(CN2CC[N@H+](C)[C@H](c3ccc(OC(C)C)cc3)C2)cn1 ZINC000257289705 455883526 /nfs/dbraw/zinc/88/35/26/455883526.db2.gz PZVWJGFEWHEQEX-FQEVSTJZSA-N 1 1 340.471 3.061 40 0 EGABMO Cc1ncc(CN2CC[N@@H+](C)[C@H](c3ccc(OC(C)C)cc3)C2)cn1 ZINC000257289705 455883533 /nfs/dbraw/zinc/88/35/33/455883533.db2.gz PZVWJGFEWHEQEX-FQEVSTJZSA-N 1 1 340.471 3.061 40 0 EGABMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C)s2)nc1 ZINC000257316757 455890617 /nfs/dbraw/zinc/89/06/17/455890617.db2.gz VGVXCYPTJQPRPU-GOSISDBHSA-N 1 1 329.469 3.425 40 0 EGABMO COc1ncc(C[N@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257320950 455891081 /nfs/dbraw/zinc/89/10/81/455891081.db2.gz VZLJEBMJLJMQRX-OAHLLOKOSA-N 1 1 334.423 3.098 40 0 EGABMO Cn1cnc(C[N@@H+]2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)c1 ZINC000257323299 455891780 /nfs/dbraw/zinc/89/17/80/455891780.db2.gz WJNQUUWMFBBJAE-INIZCTEOSA-N 1 1 349.438 3.382 40 0 EGABMO Cn1cnc(C[N@H+]2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)c1 ZINC000257323299 455891785 /nfs/dbraw/zinc/89/17/85/455891785.db2.gz WJNQUUWMFBBJAE-INIZCTEOSA-N 1 1 349.438 3.382 40 0 EGABMO Cn1cncc1C[N@@H+]1CCC[C@H]1c1ccnc(Nc2ccccn2)c1 ZINC000257326986 455892074 /nfs/dbraw/zinc/89/20/74/455892074.db2.gz WZJIHDPLEYJPGU-KRWDZBQOSA-N 1 1 334.427 3.291 40 0 EGABMO Cn1cncc1C[N@H+]1CCC[C@H]1c1ccnc(Nc2ccccn2)c1 ZINC000257326986 455892079 /nfs/dbraw/zinc/89/20/79/455892079.db2.gz WZJIHDPLEYJPGU-KRWDZBQOSA-N 1 1 334.427 3.291 40 0 EGABMO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@H+](Cc1ccnc3ccccc13)C2 ZINC000225479662 456085302 /nfs/dbraw/zinc/08/53/02/456085302.db2.gz WNCMWBWANRSQSI-KXBFYZLASA-N 1 1 345.402 3.209 40 0 biogenic,in-vitro EGABMO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@@H+](Cc1ccnc3ccccc13)C2 ZINC000225479662 456085306 /nfs/dbraw/zinc/08/53/06/456085306.db2.gz WNCMWBWANRSQSI-KXBFYZLASA-N 1 1 345.402 3.209 40 0 biogenic,in-vitro EGABMO c1coc(C[N@H+]2CC[C@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306142950 456566841 /nfs/dbraw/zinc/56/68/41/456566841.db2.gz XOYWGISKCBUTPV-OAQYLSRUSA-N 1 1 346.434 3.234 40 0 EGABMO Cc1noc(C)c1CN1C[C@@]2(CCC[N@@H+](CC3CCCCC3)C2)C1=O ZINC000585099450 459823234 /nfs/dbraw/zinc/82/32/34/459823234.db2.gz KRQYETFKACPTCY-FQEVSTJZSA-N 1 1 345.487 3.296 40 0 EGABMO O=C1CC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3F)CC2)N1CCF ZINC000585100000 459823476 /nfs/dbraw/zinc/82/34/76/459823476.db2.gz CDTWPIPGJJIKTJ-SFHVURJKSA-N 1 1 340.389 3.281 40 0 EGABMO Cc1c(-c2ccccc2)n[nH]c1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000012143776 525508117 /nfs/dbraw/zinc/50/81/17/525508117.db2.gz PEHKYOHLJXEQFP-MRXNPFEDSA-N 1 1 340.471 3.235 40 0 EGABMO CCOC(=O)c1csc(C2CC[NH+]([C@@H](C)c3cnccn3)CC2)n1 ZINC000191572006 528333243 /nfs/dbraw/zinc/33/32/43/528333243.db2.gz XJWOORXHUCNANR-LBPRGKRZSA-N 1 1 346.456 3.050 40 0 EGABMO CC(C)C(=O)N(C)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019085073 201998494 /nfs/dbraw/zinc/99/84/94/201998494.db2.gz GOXMDOPLYGQDRT-UHFFFAOYSA-N 1 1 330.472 3.307 40 0 EGABMO O=C(NC1CC1)c1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)no1 ZINC000019293831 202002279 /nfs/dbraw/zinc/00/22/79/202002279.db2.gz OJDCRMUWSFDMJO-AWEZNQCLSA-N 1 1 343.402 3.086 40 0 EGABMO C[C@@H]1C[N@H+](Cc2c3ncccc3[nH]c2C2CCOCC2)C[C@H](C)O1 ZINC000019497519 202008892 /nfs/dbraw/zinc/00/88/92/202008892.db2.gz SCMJOPKVOFDWQV-OKILXGFUSA-N 1 1 329.444 3.066 40 0 EGABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)no1 ZINC000019503685 202009804 /nfs/dbraw/zinc/00/98/04/202009804.db2.gz VTVSHGHHCBZGDF-HNNXBMFYSA-N 1 1 345.418 3.333 40 0 EGABMO CN1CC[N@@H+](CC2CC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019589488 202012398 /nfs/dbraw/zinc/01/23/98/202012398.db2.gz SGJNVLLRZRUWMK-NRFANRHFSA-N 1 1 349.478 3.091 40 0 EGABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1OCc1ccccn1 ZINC000019575799 202013776 /nfs/dbraw/zinc/01/37/76/202013776.db2.gz PSALXLDQUOSPMJ-PXNSSMCTSA-N 1 1 337.467 3.329 40 0 EGABMO C[C@H](C[NH+]1CCOCC1)n1cncc1-c1cnn(C2CCCCC2)c1 ZINC000019654588 202015429 /nfs/dbraw/zinc/01/54/29/202015429.db2.gz KSMAYTVOVZHYPO-MRXNPFEDSA-N 1 1 343.475 3.145 40 0 EGABMO COCCC[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccn1 ZINC000019593283 202015838 /nfs/dbraw/zinc/01/58/38/202015838.db2.gz WGLDYQPSUBUGGF-UHFFFAOYSA-N 1 1 336.439 3.306 40 0 EGABMO COCCC[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccn1 ZINC000019593283 202015843 /nfs/dbraw/zinc/01/58/43/202015843.db2.gz WGLDYQPSUBUGGF-UHFFFAOYSA-N 1 1 336.439 3.306 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)Oc1cccc(OC)c1 ZINC000020491800 202045346 /nfs/dbraw/zinc/04/53/46/202045346.db2.gz TYASKSAOCALWHG-IAGOWNOFSA-N 1 1 348.487 3.233 40 0 EGABMO CCOc1cccc(CNCC[NH+](C)C)c1OCc1ccccc1 ZINC000022076899 202079025 /nfs/dbraw/zinc/07/90/25/202079025.db2.gz VENBUYGYYJHROO-UHFFFAOYSA-N 1 1 328.456 3.316 40 0 EGABMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000075964490 202379553 /nfs/dbraw/zinc/37/95/53/202379553.db2.gz HKFMXNKYEQSSIQ-OAHLLOKOSA-N 1 1 344.484 3.079 40 0 EGABMO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000075964490 202379558 /nfs/dbraw/zinc/37/95/58/202379558.db2.gz HKFMXNKYEQSSIQ-OAHLLOKOSA-N 1 1 344.484 3.079 40 0 EGABMO CCC[N@@H+]1CC=C(c2nn3c(nnc3-c3ccccc3)s2)CC1 ZINC000226250118 201037219 /nfs/dbraw/zinc/03/72/19/201037219.db2.gz QGADBGHGMUPFFD-UHFFFAOYSA-N 1 1 325.441 3.352 40 0 EGABMO C[N@@H+](CCSCc1nc(=O)c2sccc2[n-]1)Cc1ccccc1 ZINC000193616510 240234559 /nfs/dbraw/zinc/23/45/59/240234559.db2.gz QZRGGZHCAVFLKW-UHFFFAOYSA-N 1 1 345.493 3.350 40 0 EGABMO CN(CCSCc1nc(=O)c2sccc2[n-]1)Cc1ccccc1 ZINC000193616510 240234562 /nfs/dbraw/zinc/23/45/62/240234562.db2.gz QZRGGZHCAVFLKW-UHFFFAOYSA-N 1 1 345.493 3.350 40 0 EGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1cccc(C)n1 ZINC000225451789 241868795 /nfs/dbraw/zinc/86/87/95/241868795.db2.gz QEXLEZHMNQQAAG-UHFFFAOYSA-N 1 1 337.452 3.371 40 0 EGABMO Cc1nccc(C[C@@H]2COCC[N@@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000257217862 244175393 /nfs/dbraw/zinc/17/53/93/244175393.db2.gz DAXMYCCZZKTXTQ-INIZCTEOSA-N 1 1 331.847 3.130 40 0 EGABMO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072379054 203211165 /nfs/dbraw/zinc/21/11/65/203211165.db2.gz YSFTUYYNDGVBFN-KRWDZBQOSA-N 1 1 333.439 3.350 40 0 EGABMO OCCOc1cccc(C[N@H+]2CCC[C@H]2CCc2ccncc2)c1 ZINC000257240029 244241933 /nfs/dbraw/zinc/24/19/33/244241933.db2.gz HRTQDQUTWFAVOK-IBGZPJMESA-N 1 1 326.440 3.050 40 0 EGABMO Cn1cncc1C[N@@H+]1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000072363146 203205919 /nfs/dbraw/zinc/20/59/19/203205919.db2.gz ISOGQUXWHMPAMG-INIZCTEOSA-N 1 1 349.438 3.382 40 0 EGABMO Cn1cncc1C[N@H+]1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000072363146 203205922 /nfs/dbraw/zinc/20/59/22/203205922.db2.gz ISOGQUXWHMPAMG-INIZCTEOSA-N 1 1 349.438 3.382 40 0 EGABMO O=C(C1CCC1)N1CCC2(CCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000096158502 203846260 /nfs/dbraw/zinc/84/62/60/203846260.db2.gz KISIKEVODCMKBC-UHFFFAOYSA-N 1 1 327.472 3.086 40 0 EGABMO Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCC3)C2)no1 ZINC000107712586 204245609 /nfs/dbraw/zinc/24/56/09/204245609.db2.gz PPFGYKQFKWYHOX-OALUTQOASA-N 1 1 334.460 3.171 40 0 EGABMO Cc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCC3)C2)no1 ZINC000107712586 204245613 /nfs/dbraw/zinc/24/56/13/204245613.db2.gz PPFGYKQFKWYHOX-OALUTQOASA-N 1 1 334.460 3.171 40 0 EGABMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(Br)c1 ZINC000046858932 204336145 /nfs/dbraw/zinc/33/61/45/204336145.db2.gz OUPARDCYGUDRBB-LBPRGKRZSA-N 1 1 325.250 3.053 40 0 EGABMO Cc1cc(NC(=O)CC[N@H+](Cc2cccs2)C[C@@H]2CCCO2)no1 ZINC000012979620 207268596 /nfs/dbraw/zinc/26/85/96/207268596.db2.gz FCIWUADNCNEPHS-AWEZNQCLSA-N 1 1 349.456 3.054 40 0 EGABMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc2ccccc2n1 ZINC000337175284 286512097 /nfs/dbraw/zinc/51/20/97/286512097.db2.gz HWCWLOIYPFHLAV-IBGZPJMESA-N 1 1 347.418 3.030 40 0 EGABMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCCOC2)cc1 ZINC000286986979 276067149 /nfs/dbraw/zinc/06/71/49/276067149.db2.gz GDCGCTFJYQPEFK-LPHOPBHVSA-N 1 1 345.487 3.039 40 0 EGABMO C[C@@H]1C[N@H+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000013305076 288199186 /nfs/dbraw/zinc/19/91/86/288199186.db2.gz DFRVEFDIWXCZKT-MTCSXPRVSA-N 1 1 327.509 3.078 40 0 EGABMO O=S1(=O)CC[C@H](C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)C1 ZINC000242140885 280349726 /nfs/dbraw/zinc/34/97/26/280349726.db2.gz WQCQHIBYDKKFMX-KDOFPFPSSA-N 1 1 332.469 3.130 40 0 EGABMO O=S1(=O)CC[C@H](C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)C1 ZINC000242140885 280349727 /nfs/dbraw/zinc/34/97/27/280349727.db2.gz WQCQHIBYDKKFMX-KDOFPFPSSA-N 1 1 332.469 3.130 40 0 EGABMO CCN(C(=O)Nc1ccncc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000097096233 323214587 /nfs/dbraw/zinc/21/45/87/323214587.db2.gz GBCWCJGPWLSZRV-INIZCTEOSA-N 1 1 342.418 3.349 40 0 EGABMO FC(F)Oc1ccc([C@H]2C[N@H+](CCc3ccncc3)CCO2)cc1 ZINC000239882131 455263165 /nfs/dbraw/zinc/26/31/65/455263165.db2.gz DALSXYWHKHHUOL-QGZVFWFLSA-N 1 1 334.366 3.299 40 0 EGABMO FC(F)Oc1ccc([C@H]2C[N@@H+](CCc3ccncc3)CCO2)cc1 ZINC000239882131 455263170 /nfs/dbraw/zinc/26/31/70/455263170.db2.gz DALSXYWHKHHUOL-QGZVFWFLSA-N 1 1 334.366 3.299 40 0 EGABMO CCn1nccc1CC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000240902799 455265536 /nfs/dbraw/zinc/26/55/36/455265536.db2.gz IVMBBUHONVNSDX-QGZVFWFLSA-N 1 1 327.428 3.054 40 0 EGABMO CCOC(=O)Nc1oc2ccccc2c(=O)c1C[NH+]1CCCCC1 ZINC000005459431 452875573 /nfs/dbraw/zinc/87/55/73/452875573.db2.gz TXNVDNOIHMJLHB-UHFFFAOYSA-N 1 1 330.384 3.347 40 0 EGABMO 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 452899324 /nfs/dbraw/zinc/89/93/24/452899324.db2.gz YGXRMWHUFMBLQJ-QHPKMWLUSA-N 1 1 347.543 3.294 40 0 EGABMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1 ZINC000005959323 452914390 /nfs/dbraw/zinc/91/43/90/452914390.db2.gz DFTJGGTUHBQNFE-GOSISDBHSA-N 1 1 330.472 3.310 40 0 EGABMO C[C@@H]1CCCC[N@H+]1CCCNc1c(C=O)c(=O)[nH]c2ccccc21 ZINC000006681836 452968970 /nfs/dbraw/zinc/96/89/70/452968970.db2.gz JEYRGHGYBAVUFD-CQSZACIVSA-N 1 1 327.428 3.429 40 0 EGABMO C=Cn1cc(C[N@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)c(C)n1 ZINC000012188831 453349454 /nfs/dbraw/zinc/34/94/54/453349454.db2.gz PTZNOQQLVRKPJB-LJQANCHMSA-N 1 1 329.419 3.305 40 0 EGABMO COc1ccccc1/C=C\C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000012337547 453357699 /nfs/dbraw/zinc/35/76/99/453357699.db2.gz FXLNACANJOYSPP-GMNBZTITSA-N 1 1 325.412 3.002 40 0 EGABMO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000012763515 453401093 /nfs/dbraw/zinc/40/10/93/453401093.db2.gz SAJVXEOQRVZGIS-YOEHRIQHSA-N 1 1 338.879 3.346 40 0 EGABMO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000012763515 453401100 /nfs/dbraw/zinc/40/11/00/453401100.db2.gz SAJVXEOQRVZGIS-YOEHRIQHSA-N 1 1 338.879 3.346 40 0 EGABMO Cc1ccc(O[C@H](C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC000015831481 453586823 /nfs/dbraw/zinc/58/68/23/453586823.db2.gz LMFVJPSUEMCQAI-WBVHZDCISA-N 1 1 330.428 3.083 40 0 EGABMO Cc1cc(C)c(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccccc2)c(C)c1 ZINC000030499355 453836097 /nfs/dbraw/zinc/83/60/97/453836097.db2.gz DOMHYZNTOYRDJN-GOSISDBHSA-N 1 1 346.496 3.193 40 0 EGABMO CC[C@H](CNC(=O)Cc1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000032445868 453873070 /nfs/dbraw/zinc/87/30/70/453873070.db2.gz ANUHXJLZDBSALA-HXUWFJFHSA-N 1 1 340.442 3.321 40 0 EGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1 ZINC000038835929 453941847 /nfs/dbraw/zinc/94/18/47/453941847.db2.gz CSUUVHLRCZVGAL-UHFFFAOYSA-N 1 1 331.419 3.438 40 0 EGABMO COc1cc(C)c(C[NH2+]Cc2cn3c(cccc3C)n2)cc1OC ZINC000083455934 453949761 /nfs/dbraw/zinc/94/97/61/453949761.db2.gz NUSNMVYQUQPOOU-UHFFFAOYSA-N 1 1 325.412 3.258 40 0 EGABMO Cc1nn(C)cc1C[N@@H+](CCCn1ccnc1)Cc1cccc(F)c1 ZINC000043277705 454053358 /nfs/dbraw/zinc/05/33/58/454053358.db2.gz XGBGVTNYHNJCEZ-UHFFFAOYSA-N 1 1 341.434 3.157 40 0 EGABMO COC(=O)[C@H](C)[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccccc1 ZINC000089141006 454124217 /nfs/dbraw/zinc/12/42/17/454124217.db2.gz NJXXEJZFQDKZBG-KUHUBIRLSA-N 1 1 337.423 3.213 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@@H]2OCCC[C@]2(COCC2CCC2)C1 ZINC000096040287 454266261 /nfs/dbraw/zinc/26/62/61/454266261.db2.gz DGJMIOUXNXTKSN-VQTJNVASSA-N 1 1 348.487 3.479 40 0 EGABMO c1coc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)c1 ZINC000096039972 454266508 /nfs/dbraw/zinc/26/65/08/454266508.db2.gz PZFFVFBULXQDBU-MOPGFXCFSA-N 1 1 328.412 3.125 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)co1 ZINC000096051899 454272246 /nfs/dbraw/zinc/27/22/46/454272246.db2.gz SUQPZKZYKYOHLD-PKOBYXMFSA-N 1 1 328.412 3.125 40 0 EGABMO c1cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)co1 ZINC000096051899 454272254 /nfs/dbraw/zinc/27/22/54/454272254.db2.gz SUQPZKZYKYOHLD-PKOBYXMFSA-N 1 1 328.412 3.125 40 0 EGABMO O=C(Nc1ccccc1)[C@@H]1C[N@@H+](Cc2ccco2)CC12CCOCC2 ZINC000096052243 454273234 /nfs/dbraw/zinc/27/32/34/454273234.db2.gz KCHAVAARKDKCRY-SFHVURJKSA-N 1 1 340.423 3.147 40 0 EGABMO COc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072227112 454275248 /nfs/dbraw/zinc/27/52/48/454275248.db2.gz JENCVKKJMGENGU-LSDHHAIUSA-N 1 1 336.313 3.129 40 0 EGABMO c1csc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC000096058091 454275401 /nfs/dbraw/zinc/27/54/01/454275401.db2.gz WNUOHAYHAFIECO-KSZLIROESA-N 1 1 330.453 3.092 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)s1 ZINC000096058097 454275925 /nfs/dbraw/zinc/27/59/25/454275925.db2.gz IPECHFSGXRXHTR-OTWHNJEPSA-N 1 1 344.480 3.400 40 0 EGABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Br)cc2)cc1 ZINC000072228014 454276610 /nfs/dbraw/zinc/27/66/10/454276610.db2.gz NMEQOPGLCFICEN-JKSUJKDBSA-N 1 1 345.240 3.427 40 0 EGABMO c1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)cs1 ZINC000096058343 454276832 /nfs/dbraw/zinc/27/68/32/454276832.db2.gz VNPDQSKPGUUXAC-UFYCRDLUSA-N 1 1 340.492 3.351 40 0 EGABMO c1cc(C[N@@H+]2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cs1 ZINC000096065415 454278296 /nfs/dbraw/zinc/27/82/96/454278296.db2.gz BNDNBURRRQIEHB-SQNIBIBYSA-N 1 1 330.453 3.092 40 0 EGABMO c1coc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)c1 ZINC000096107295 454284614 /nfs/dbraw/zinc/28/46/14/454284614.db2.gz HOLGKOVVJFXDBI-MOPGFXCFSA-N 1 1 328.412 3.015 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]2OC)cc1 ZINC000096110235 454285908 /nfs/dbraw/zinc/28/59/08/454285908.db2.gz PURDKRVCQXBQII-FXAWDEMLSA-N 1 1 326.440 3.170 40 0 EGABMO c1coc(C[N@@H+]2CCO[C@@]3(CCC[C@H]3COCc3ccccn3)C2)c1 ZINC000096160956 454295211 /nfs/dbraw/zinc/29/52/11/454295211.db2.gz DFGSSKHRAZFSCE-PXNSSMCTSA-N 1 1 342.439 3.263 40 0 EGABMO c1coc(C[N@H+]2CCO[C@@]3(CCC[C@H]3COCc3ccccn3)C2)c1 ZINC000096160956 454295218 /nfs/dbraw/zinc/29/52/18/454295218.db2.gz DFGSSKHRAZFSCE-PXNSSMCTSA-N 1 1 342.439 3.263 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccc(F)cc2)o1 ZINC000096184678 454299929 /nfs/dbraw/zinc/29/99/29/454299929.db2.gz BZJHWMKMEFEXHL-ZWKOTPCHSA-N 1 1 328.387 3.216 40 0 EGABMO CCc1cnc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C)o2)C3)nc1 ZINC000096215892 454305863 /nfs/dbraw/zinc/30/58/63/454305863.db2.gz WZQOULXVFAQJCH-HXUWFJFHSA-N 1 1 340.471 3.433 40 0 EGABMO C[N@H+](Cc1cccnc1)C[C@H]1CC12CCN(Cc1nccs1)CC2 ZINC000096238319 454310654 /nfs/dbraw/zinc/31/06/54/454310654.db2.gz YFOJHPXRILZTBA-QGZVFWFLSA-N 1 1 342.512 3.272 40 0 EGABMO c1csc(C[N@@H+]2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3CC2)c1 ZINC000096249375 454311326 /nfs/dbraw/zinc/31/13/26/454311326.db2.gz GKRSPYBYFOQTEJ-OALUTQOASA-N 1 1 343.496 3.009 40 0 EGABMO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1ccccc1C)CC2 ZINC000096240328 454312113 /nfs/dbraw/zinc/31/21/13/454312113.db2.gz NJNPIGJWGPHKOL-SFHVURJKSA-N 1 1 344.499 3.347 40 0 EGABMO CC(=O)Nc1cccc(C[N@@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)c1 ZINC000096424430 454337512 /nfs/dbraw/zinc/33/75/12/454337512.db2.gz WQWYUZZIFDGETI-FQEVSTJZSA-N 1 1 342.414 3.482 40 0 EGABMO CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CCCOc2ccccc21 ZINC000096427186 454340495 /nfs/dbraw/zinc/34/04/95/454340495.db2.gz LLGKMYQHWSHCOT-INIZCTEOSA-N 1 1 327.428 3.427 40 0 EGABMO C[C@H]1CCN(C(=O)/C=C/c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000096433129 454343124 /nfs/dbraw/zinc/34/31/24/454343124.db2.gz GLTXECQLBMICCN-BBVFFXRHSA-N 1 1 335.451 3.218 40 0 EGABMO CC(C)n1nccc1C(=O)NCc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000096476714 454362667 /nfs/dbraw/zinc/36/26/67/454362667.db2.gz FSQKTEMLLYFCQH-UHFFFAOYSA-N 1 1 328.460 3.234 40 0 EGABMO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000097096691 454405230 /nfs/dbraw/zinc/40/52/30/454405230.db2.gz MZYIAWNOXPEFBI-ZDUSSCGKSA-N 1 1 329.366 3.017 40 0 EGABMO C[C@H]1C[C@@H](CNC(=O)c2ccc(O)cc2F)C[N@H+]1Cc1ccccc1 ZINC000097100848 454406586 /nfs/dbraw/zinc/40/65/86/454406586.db2.gz ADKJFEHFRDJDMB-HOCLYGCPSA-N 1 1 342.414 3.172 40 0 EGABMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C2CCCCC2)C[C@H](C)O1 ZINC000048314224 454472028 /nfs/dbraw/zinc/47/20/28/454472028.db2.gz ZPVVDJDRGAOSRD-IRXDYDNUSA-N 1 1 344.499 3.492 40 0 EGABMO COCc1c(Cl)cccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000092929077 454655171 /nfs/dbraw/zinc/65/51/71/454655171.db2.gz BZQVIIYBNCHSHD-CHWSQXEVSA-N 1 1 337.851 3.187 40 0 EGABMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C[C@@H]2C=CCC2)C[C@@H](C)O1 ZINC000109037356 454820228 /nfs/dbraw/zinc/82/02/28/454820228.db2.gz JWTXGYMGENZXQG-KZNAEPCWSA-N 1 1 342.483 3.268 40 0 EGABMO CCN(C(=O)Cc1cccnc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000110600460 454848537 /nfs/dbraw/zinc/84/85/37/454848537.db2.gz SFLZGBKELHZEKC-XLIONFOSSA-N 1 1 337.467 3.308 40 0 EGABMO Cc1ccc(CNc2nnc(C(F)(F)F)s2)c(N2CCCC2)[nH+]1 ZINC000157092693 455164714 /nfs/dbraw/zinc/16/47/14/455164714.db2.gz DWPUGFWFTFTUGG-UHFFFAOYSA-N 1 1 343.378 3.473 40 0 EGABMO COc1ccc(OC)c(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000245225160 455280789 /nfs/dbraw/zinc/28/07/89/455280789.db2.gz OMVFRRMEUIIWAT-ZIAGYGMSSA-N 1 1 335.448 3.088 40 0 EGABMO Cc1cccc(CO[C@H]2CSC3(C[NH+](Cc4ccncc4)C3)C2)n1 ZINC000247857560 455650400 /nfs/dbraw/zinc/65/04/00/455650400.db2.gz DLTPEQYOAVBWKK-GOSISDBHSA-N 1 1 341.480 3.062 40 0 EGABMO Cc1ncccc1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248588324 455721105 /nfs/dbraw/zinc/72/11/05/455721105.db2.gz GRQXVFIOODIXBH-ULQDDVLXSA-N 1 1 331.460 3.125 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COCC2CCC2)C1 ZINC000251975323 455799776 /nfs/dbraw/zinc/79/97/76/455799776.db2.gz DGJMIOUXNXTKSN-PMACEKPBSA-N 1 1 348.487 3.479 40 0 EGABMO C(C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)SC1CCCCC1 ZINC000253396853 455839417 /nfs/dbraw/zinc/83/94/17/455839417.db2.gz KBGKHKLBRBZTGH-OAHLLOKOSA-N 1 1 334.533 3.470 40 0 EGABMO CNc1nccc([C@H]2CCCC[N@@H+]2Cc2cccc(OC)c2OC)n1 ZINC000257281452 455881628 /nfs/dbraw/zinc/88/16/28/455881628.db2.gz OPFOYCRAEWAMOT-MRXNPFEDSA-N 1 1 342.443 3.263 40 0 EGABMO CNc1nccc([C@H]2CCCC[N@H+]2Cc2cccc(OC)c2OC)n1 ZINC000257281452 455881630 /nfs/dbraw/zinc/88/16/30/455881630.db2.gz OPFOYCRAEWAMOT-MRXNPFEDSA-N 1 1 342.443 3.263 40 0 EGABMO Cc1n[nH]cc1C[N@H+]1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257291826 455884019 /nfs/dbraw/zinc/88/40/19/455884019.db2.gz QIUBXPSWBPUCBG-INIZCTEOSA-N 1 1 325.412 3.155 40 0 EGABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](Cc2ccc(C)nc2)C1 ZINC000257289183 455884377 /nfs/dbraw/zinc/88/43/77/455884377.db2.gz PXJGMIVPIWUWAJ-GOSISDBHSA-N 1 1 340.471 3.020 40 0 EGABMO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)n1 ZINC000257294083 455884866 /nfs/dbraw/zinc/88/48/66/455884866.db2.gz QSIXSAHRKUIHID-IBGZPJMESA-N 1 1 345.393 3.333 40 0 EGABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)n1 ZINC000257294083 455884870 /nfs/dbraw/zinc/88/48/70/455884870.db2.gz QSIXSAHRKUIHID-IBGZPJMESA-N 1 1 345.393 3.333 40 0 EGABMO Cc1cnc(C[N@H+]2CCC[C@H](Cc3nccn4cccc34)CC2)cn1 ZINC000257305671 455888051 /nfs/dbraw/zinc/88/80/51/455888051.db2.gz SQZJDPATBCEQGN-KRWDZBQOSA-N 1 1 335.455 3.278 40 0 EGABMO CCCn1nccc1-c1cnc(C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257320353 455890368 /nfs/dbraw/zinc/89/03/68/455890368.db2.gz VWLCAUASZUQYPU-MRXNPFEDSA-N 1 1 327.476 3.413 40 0 EGABMO c1ccc(CO[C@H]2C[N@H+](C3CCOCC3)CC[C@@]23CCCO3)cc1 ZINC000257316960 455890877 /nfs/dbraw/zinc/89/08/77/455890877.db2.gz VHSCIGBNTCSBCA-PMACEKPBSA-N 1 1 331.456 3.006 40 0 EGABMO Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000257336202 455894457 /nfs/dbraw/zinc/89/44/57/455894457.db2.gz YNNIIXBVEMXCSU-WOJBJXKFSA-N 1 1 339.483 3.412 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Oc1cccc(OC)c1 ZINC000260492748 455898661 /nfs/dbraw/zinc/89/86/61/455898661.db2.gz TYASKSAOCALWHG-IRXDYDNUSA-N 1 1 348.487 3.233 40 0 EGABMO C[N@H+](Cc1nc(-c2ccc(Br)o2)no1)[C@@H]1CCSC1 ZINC000195574673 455987523 /nfs/dbraw/zinc/98/75/23/455987523.db2.gz SSGHEXXVKKWARN-MRVPVSSYSA-N 1 1 344.234 3.029 40 0 EGABMO C[N@@H+](Cc1nc(-c2ccc(Br)o2)no1)[C@@H]1CCSC1 ZINC000195574673 455987527 /nfs/dbraw/zinc/98/75/27/455987527.db2.gz SSGHEXXVKKWARN-MRVPVSSYSA-N 1 1 344.234 3.029 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1ccc(OC)cc1 ZINC000225316651 456076845 /nfs/dbraw/zinc/07/68/45/456076845.db2.gz OHJQEQWQYFZHEB-SFHVURJKSA-N 1 1 332.488 3.399 40 0 EGABMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000230307202 456135953 /nfs/dbraw/zinc/13/59/53/456135953.db2.gz CFERQOTZURSPBJ-YOEHRIQHSA-N 1 1 337.423 3.265 40 0 EGABMO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@@H+](C)C3)nn2c1 ZINC000306139417 456566587 /nfs/dbraw/zinc/56/65/87/456566587.db2.gz SWSWCXVAGLJNLB-CQSZACIVSA-N 1 1 340.402 3.353 40 0 EGABMO c1csc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccoc4)C2)OC3)c1 ZINC000306142706 456567901 /nfs/dbraw/zinc/56/79/01/456567901.db2.gz XGXZIHRSYXAMFW-GOSISDBHSA-N 1 1 341.436 3.380 40 0 EGABMO COCCn1ccnc1[C@H]1C[N@@H+](Cc2ccco2)Cc2ccccc21 ZINC000306144733 456569939 /nfs/dbraw/zinc/56/99/39/456569939.db2.gz ZNKUNLCYKUKXPO-IBGZPJMESA-N 1 1 337.423 3.270 40 0 EGABMO Clc1cccnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390881013 457447620 /nfs/dbraw/zinc/44/76/20/457447620.db2.gz VGOOWWWUPKTETD-MRXNPFEDSA-N 1 1 331.847 3.438 40 0 EGABMO CC(C)C[N@H+]1C[C@@H]2CN(Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000514289222 458798628 /nfs/dbraw/zinc/79/86/28/458798628.db2.gz JVFPBOVPDFZDJC-IBGZPJMESA-N 1 1 333.495 3.062 40 0 biogenic,in-vitro EGABMO CCC(CC)C[N@H+]1CCC[C@@]2(CN(Cc3c(C)noc3C)C2=O)C1 ZINC000585099588 459823067 /nfs/dbraw/zinc/82/30/67/459823067.db2.gz RTPUQAIJYKSSAT-IBGZPJMESA-N 1 1 333.476 3.152 40 0 EGABMO Cc1nc(C[N@@H+]2CCC[C@]3(CN(CC4CCCCC4)C3=O)C2)cs1 ZINC000585099584 459823222 /nfs/dbraw/zinc/82/32/22/459823222.db2.gz RLZMZCYKMBYWHT-LJQANCHMSA-N 1 1 347.528 3.456 40 0 EGABMO Cc1nc(C[N@H+]2CCC[C@]3(CN(CC4CCCCC4)C3=O)C2)cs1 ZINC000585099584 459823224 /nfs/dbraw/zinc/82/32/24/459823224.db2.gz RLZMZCYKMBYWHT-LJQANCHMSA-N 1 1 347.528 3.456 40 0 EGABMO COC[C@@H]1CN(Cc2csc(C)n2)CC12CC[NH+](C(C)C)CC2 ZINC000585103807 459824250 /nfs/dbraw/zinc/82/42/50/459824250.db2.gz RPFRLWICVJCGGY-INIZCTEOSA-N 1 1 337.533 3.020 40 0 EGABMO c1cc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)cs1 ZINC000585104750 459825120 /nfs/dbraw/zinc/82/51/20/459825120.db2.gz LZHJJQZFNPFPQC-INIZCTEOSA-N 1 1 332.494 3.420 40 0 EGABMO O[C@]1(COc2ccc(Cl)cc2)COCC[N@H+](C2CCCCC2)C1 ZINC000585282258 459832308 /nfs/dbraw/zinc/83/23/08/459832308.db2.gz ZZUHVWKQZIKUEX-SFHVURJKSA-N 1 1 339.863 3.115 40 0 EGABMO CC(=O)N1CCCC[C@H]2[N@@H+](CC3(O)CCCCCC3)CCC[C@@]21C ZINC000585282531 459832619 /nfs/dbraw/zinc/83/26/19/459832619.db2.gz FXGLRQZCTUUSKR-MOPGFXCFSA-N 1 1 336.520 3.327 40 0 EGABMO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)no1 ZINC000585290018 459833178 /nfs/dbraw/zinc/83/31/78/459833178.db2.gz PTBRJDLQVKODGA-QXAKKESOSA-N 1 1 330.428 3.084 40 0 EGABMO Cc1cc(C[N@H+](C)[C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)no1 ZINC000585290018 459833185 /nfs/dbraw/zinc/83/31/85/459833185.db2.gz PTBRJDLQVKODGA-QXAKKESOSA-N 1 1 330.428 3.084 40 0 EGABMO OCC[C@@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)c1ccccc1F ZINC000647250200 461591045 /nfs/dbraw/zinc/59/10/45/461591045.db2.gz OFESQGGRTMGZOV-CQSZACIVSA-N 1 1 339.313 3.361 40 0 EGABMO OCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000006423212 1291045109 /nfs/dbraw/zinc/04/51/09/1291045109.db2.gz IWRCJUWQXRRMLX-UHFFFAOYSA-N 1 1 330.391 3.492 40 0 EGABMO O=C(N[C@@H]1CC2(CC[NH+](CCF)CC2)Oc2ccccc21)C1CCC1 ZINC000096242741 295711611 /nfs/dbraw/zinc/71/16/11/295711611.db2.gz DOSNVSBYBXSUNZ-QGZVFWFLSA-N 1 1 346.446 3.231 40 0 EGABMO C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccccc1 ZINC000035312106 213019485 /nfs/dbraw/zinc/01/94/85/213019485.db2.gz MQMAYLYRJOUAKP-QGZVFWFLSA-N 1 1 337.467 3.268 40 0 EGABMO NC(=O)CCc1cccc([C@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072360505 216166780 /nfs/dbraw/zinc/16/67/80/216166780.db2.gz SVXLGUCUQAQYPM-HXUWFJFHSA-N 1 1 337.467 3.269 40 0 EGABMO c1cn(-c2cncc([C@H]3CCC[N@H+](CCc4ccccc4)C3)n2)cn1 ZINC000072355493 216163701 /nfs/dbraw/zinc/16/37/01/216163701.db2.gz HHHZRRKAWOUHDZ-SFHVURJKSA-N 1 1 333.439 3.084 40 0 EGABMO Cn1nc([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c2nccnc21 ZINC000072393855 216192902 /nfs/dbraw/zinc/19/29/02/216192902.db2.gz GDKHRUJCEFGNRZ-ZDUSSCGKSA-N 1 1 343.381 3.021 40 0 EGABMO CC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1CC1 ZINC000072513610 216266222 /nfs/dbraw/zinc/26/62/22/216266222.db2.gz FUXFHEJCHGYXHL-UHFFFAOYSA-N 1 1 333.176 3.150 40 0 EGABMO CC[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1CC1 ZINC000072513610 216266224 /nfs/dbraw/zinc/26/62/24/216266224.db2.gz FUXFHEJCHGYXHL-UHFFFAOYSA-N 1 1 333.176 3.150 40 0 EGABMO CSCC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc2c(cc1C)OCO2 ZINC000022833693 212326516 /nfs/dbraw/zinc/32/65/16/212326516.db2.gz HFQJGUONRRJGMU-IRXDYDNUSA-N 1 1 348.512 3.125 40 0 EGABMO CCc1cc(NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)nc(C)n1 ZINC000242047827 243007611 /nfs/dbraw/zinc/00/76/11/243007611.db2.gz VQKQYIKVLSETHH-UHFFFAOYSA-N 1 1 343.475 3.276 40 0 EGABMO C[N@H+](CCOc1ccccc1)Cc1cnc([C@@H]2CCCCO2)nc1 ZINC000257209049 244144795 /nfs/dbraw/zinc/14/47/95/244144795.db2.gz BOTJDBVRXJDCMT-SFHVURJKSA-N 1 1 327.428 3.229 40 0 EGABMO C[N@@H+](CCOc1ccccc1)Cc1cnc([C@@H]2CCCCO2)nc1 ZINC000257209049 244144802 /nfs/dbraw/zinc/14/48/02/244144802.db2.gz BOTJDBVRXJDCMT-SFHVURJKSA-N 1 1 327.428 3.229 40 0 EGABMO Clc1ccc(C[N@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)nc1 ZINC000257230512 244209472 /nfs/dbraw/zinc/20/94/72/244209472.db2.gz GCRCJIFDRXRFAK-CYBMUJFWSA-N 1 1 327.819 3.386 40 0 EGABMO c1ccc(CO[C@H]2C[N@@H+](Cc3cccnc3)CC[C@@]23CCCO3)cc1 ZINC000257246042 244258402 /nfs/dbraw/zinc/25/84/02/244258402.db2.gz ISEPHUNWRVEXAM-SFTDATJTSA-N 1 1 338.451 3.422 40 0 EGABMO CCCc1ncc(C[N@H+]2CCC[C@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746665 212061488 /nfs/dbraw/zinc/06/14/88/212061488.db2.gz KGFZTRKJAMLKHN-FQEVSTJZSA-N 1 1 344.503 3.090 40 0 EGABMO C[C@@H](C[NH+]1CCOCC1)n1cncc1-c1cnn(C2CCCCC2)c1 ZINC000019654586 212053188 /nfs/dbraw/zinc/05/31/88/212053188.db2.gz KSMAYTVOVZHYPO-INIZCTEOSA-N 1 1 343.475 3.145 40 0 EGABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000019575062 212045160 /nfs/dbraw/zinc/04/51/60/212045160.db2.gz YCFCRGCODZFDGT-DYVFJYSZSA-N 1 1 330.863 3.399 40 0 EGABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccc(Oc2ccccc2)c1 ZINC000019575947 212045026 /nfs/dbraw/zinc/04/50/26/212045026.db2.gz LJDBOVSRUAMIBV-QXAKKESOSA-N 1 1 338.451 3.118 40 0 EGABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1F ZINC000019340977 212017853 /nfs/dbraw/zinc/01/78/53/212017853.db2.gz MUJSLXBKECCLSA-AWEZNQCLSA-N 1 1 342.349 3.399 40 0 EGABMO Cc1csc([C@@H](C)NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000078925540 217149492 /nfs/dbraw/zinc/14/94/92/217149492.db2.gz GUGISWAMHIICCC-HUUCEWRRSA-N 1 1 346.500 3.332 40 0 EGABMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000079333638 217209909 /nfs/dbraw/zinc/20/99/09/217209909.db2.gz QIXKIQCDYRSKHS-RDJZCZTQSA-N 1 1 341.455 3.408 40 0 EGABMO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)C[C@H]2CC=CCC2)n1 ZINC000012186005 211313509 /nfs/dbraw/zinc/31/35/09/211313509.db2.gz CPLVJSANCGWLTC-RBUKOAKNSA-N 1 1 343.471 3.312 40 0 EGABMO C[N@H+](Cc1cc(Br)cs1)Cc1cnc2cnccn12 ZINC000091887890 218083424 /nfs/dbraw/zinc/08/34/24/218083424.db2.gz POJGIYAQKKPOQF-UHFFFAOYSA-N 1 1 337.246 3.185 40 0 EGABMO C[N@@H+](Cc1cc(Br)cs1)Cc1cnc2cnccn12 ZINC000091887890 218083427 /nfs/dbraw/zinc/08/34/27/218083427.db2.gz POJGIYAQKKPOQF-UHFFFAOYSA-N 1 1 337.246 3.185 40 0 EGABMO C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1Br ZINC000011024155 211200559 /nfs/dbraw/zinc/20/05/59/211200559.db2.gz NVTVIELDMOSXEN-QWHCGFSZSA-N 1 1 328.250 3.063 40 0 EGABMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000092063920 218113397 /nfs/dbraw/zinc/11/33/97/218113397.db2.gz BEODXIGPQVXJIN-WNHYQHMGSA-N 1 1 329.465 3.248 40 0 EGABMO C[NH+]1CCN(C(=S)c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000408571687 257895980 /nfs/dbraw/zinc/89/59/80/257895980.db2.gz CMFRJIPSJJXZFC-UHFFFAOYSA-N 1 1 344.455 3.328 40 0 EGABMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCCOC2)cc1 ZINC000286986975 276067130 /nfs/dbraw/zinc/06/71/30/276067130.db2.gz GDCGCTFJYQPEFK-APWZRJJASA-N 1 1 345.487 3.039 40 0 EGABMO CCOC[C@H]1CCC2(CCN(C(=O)CC3=CCCCC3)CC2)[N@H+]1C ZINC000096208296 276333565 /nfs/dbraw/zinc/33/35/65/276333565.db2.gz ZWRFGFUWCIUNSV-GOSISDBHSA-N 1 1 334.504 3.369 40 0 EGABMO Cc1c(-c2cc(C[N@H+]3CCC[C@H](c4ccncc4)C3)on2)cnn1C ZINC000295704694 308352280 /nfs/dbraw/zinc/35/22/80/308352280.db2.gz FPWCEZOCQZEHJU-INIZCTEOSA-N 1 1 337.427 3.158 40 0 EGABMO C[N@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000096460093 454358605 /nfs/dbraw/zinc/35/86/05/454358605.db2.gz QZCHMVSFUOCTTA-KBPBESRZSA-N 1 1 335.391 3.103 40 0 EGABMO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000096460093 454358610 /nfs/dbraw/zinc/35/86/10/454358610.db2.gz QZCHMVSFUOCTTA-KBPBESRZSA-N 1 1 335.391 3.103 40 0 EGABMO CC[C@@H](C)n1ncc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC000390834268 324284580 /nfs/dbraw/zinc/28/45/80/324284580.db2.gz VNEACOCNSYRALB-OHRKKDJYSA-N 1 1 333.480 3.299 40 0 EGABMO C[C@H](c1ccc(NC(=O)NCc2cccs2)cc1)[NH+]1CCOCC1 ZINC000264603238 455245982 /nfs/dbraw/zinc/24/59/82/455245982.db2.gz CHBXIOHWNDXRBY-CQSZACIVSA-N 1 1 345.468 3.463 40 0 EGABMO CC(C)(C)[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(O)c(CO)c1 ZINC000005352554 452863153 /nfs/dbraw/zinc/86/31/53/452863153.db2.gz NZBXAYHLQSMNQS-IBGZPJMESA-N 1 1 329.440 3.219 40 0 EGABMO Cc1cc(C[N@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)c(C)s1 ZINC000019567982 453657841 /nfs/dbraw/zinc/65/78/41/453657841.db2.gz GIOJEKATUVOMNT-UHFFFAOYSA-N 1 1 331.485 3.172 40 0 EGABMO CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH]nc1-c1ccccc1 ZINC000019712479 453658804 /nfs/dbraw/zinc/65/88/04/453658804.db2.gz UHMSXHXSUHXHMA-RTBURBONSA-N 1 1 338.455 3.052 40 0 EGABMO CN1CCN(CCC[N@H+](C)CC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000022581699 453694635 /nfs/dbraw/zinc/69/46/35/453694635.db2.gz DJDCWJOMQNEEAI-UHFFFAOYSA-N 1 1 337.939 3.187 40 0 EGABMO CN1CCN(CCC[N@@H+](C)CC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000022581699 453694640 /nfs/dbraw/zinc/69/46/40/453694640.db2.gz DJDCWJOMQNEEAI-UHFFFAOYSA-N 1 1 337.939 3.187 40 0 EGABMO Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000026781092 453805626 /nfs/dbraw/zinc/80/56/26/453805626.db2.gz WQULKHFGSILLEC-IXDOHACOSA-N 1 1 335.488 3.141 40 0 EGABMO Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000026781092 453805628 /nfs/dbraw/zinc/80/56/28/453805628.db2.gz WQULKHFGSILLEC-IXDOHACOSA-N 1 1 335.488 3.141 40 0 EGABMO COc1ccc(OC)c(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000045959120 454201286 /nfs/dbraw/zinc/20/12/86/454201286.db2.gz OMVFRRMEUIIWAT-KBPBESRZSA-N 1 1 335.448 3.088 40 0 EGABMO c1csc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)c1 ZINC000096041810 454266986 /nfs/dbraw/zinc/26/69/86/454266986.db2.gz KHULBPWVQDDMKD-RCCFBDPRSA-N 1 1 330.453 3.092 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)c1 ZINC000096041810 454266988 /nfs/dbraw/zinc/26/69/88/454266988.db2.gz KHULBPWVQDDMKD-RCCFBDPRSA-N 1 1 330.453 3.092 40 0 EGABMO c1ccc2nc(C[N@H+]3CCO[C@H]4[C@@H](OCC5CC5)CC[C@@H]43)ccc2c1 ZINC000096042090 454267159 /nfs/dbraw/zinc/26/71/59/454267159.db2.gz XARLOOVQOHJQTR-PCCBWWKXSA-N 1 1 338.451 3.393 40 0 EGABMO c1ccc2nc(C[N@@H+]3CCO[C@H]4[C@@H](OCC5CC5)CC[C@@H]43)ccc2c1 ZINC000096042090 454267161 /nfs/dbraw/zinc/26/71/61/454267161.db2.gz XARLOOVQOHJQTR-PCCBWWKXSA-N 1 1 338.451 3.393 40 0 EGABMO Cc1nc(COC[C@@H]2C[N@@H+](CC3CCC3)Cc3ncn(C)c32)cs1 ZINC000096045040 454268676 /nfs/dbraw/zinc/26/86/76/454268676.db2.gz YLNDUEFXUSFFAM-HNNXBMFYSA-N 1 1 346.500 3.101 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccnc2)C3)o1 ZINC000096047041 454269973 /nfs/dbraw/zinc/26/99/73/454269973.db2.gz FFRSFKRQZIYUMR-HXUWFJFHSA-N 1 1 339.439 3.111 40 0 EGABMO Cc1nc(CN2CCC3(C[NH+](Cc4ccc(F)cc4)C3)C2)cs1 ZINC000096046424 454270430 /nfs/dbraw/zinc/27/04/30/454270430.db2.gz BTEFBBRUNJQMHG-UHFFFAOYSA-N 1 1 331.460 3.299 40 0 EGABMO c1csc(C[N@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC000096048232 454271486 /nfs/dbraw/zinc/27/14/86/454271486.db2.gz OWTUZEKXYHYKHL-SJLPKXTDSA-N 1 1 330.453 3.346 40 0 EGABMO Cc1ccc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccsc2)C3)nn1 ZINC000096048444 454271706 /nfs/dbraw/zinc/27/17/06/454271706.db2.gz XKXNPPZXEKWQKL-AEFFLSMTSA-N 1 1 344.484 3.082 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)cc1 ZINC000096056619 454274057 /nfs/dbraw/zinc/27/40/57/454274057.db2.gz KJEHYFNEYIXVQW-WOJBJXKFSA-N 1 1 336.435 3.465 40 0 EGABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Br)s1 ZINC000072227211 454275639 /nfs/dbraw/zinc/27/56/39/454275639.db2.gz DAHNTPKVQCCKJP-RYUDHWBXSA-N 1 1 341.205 3.065 40 0 EGABMO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](Cc1ccsc1)C2 ZINC000096059932 454276343 /nfs/dbraw/zinc/27/63/43/454276343.db2.gz MYCWZIIUQGDDNT-KRWDZBQOSA-N 1 1 331.485 3.491 40 0 EGABMO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](Cc1ccsc1)C2 ZINC000096059932 454276349 /nfs/dbraw/zinc/27/63/49/454276349.db2.gz MYCWZIIUQGDDNT-KRWDZBQOSA-N 1 1 331.485 3.491 40 0 EGABMO Fc1cccnc1O[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccco1)C2 ZINC000096107560 454284191 /nfs/dbraw/zinc/28/41/91/454284191.db2.gz JWUWCCCKEDTABV-YJBOKZPZSA-N 1 1 332.375 3.016 40 0 EGABMO c1csc(C[NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)n1 ZINC000096106458 454285093 /nfs/dbraw/zinc/28/50/93/454285093.db2.gz LVGLUAYYXYYMFU-MRXNPFEDSA-N 1 1 336.501 3.188 40 0 EGABMO Cc1ccsc1C[N@H+]1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096187173 454299544 /nfs/dbraw/zinc/29/95/44/454299544.db2.gz YTQDTYSOKXCLBZ-AOIWGVFYSA-N 1 1 344.480 3.400 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@]23CCN(Cc2nccs2)C3)n1 ZINC000096203073 454302955 /nfs/dbraw/zinc/30/29/55/454302955.db2.gz OEMLXNUMAUYEAD-GOSISDBHSA-N 1 1 328.485 3.087 40 0 EGABMO c1coc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC000096215071 454304802 /nfs/dbraw/zinc/30/48/02/454304802.db2.gz VQNVCLXANKJDKF-CTNGQTDRSA-N 1 1 344.499 3.240 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H](OCc3ccccn3)[C@H]3OCC[C@@H]32)cc1 ZINC000096209896 454306059 /nfs/dbraw/zinc/30/60/59/454306059.db2.gz CSEGMGLBOSROJF-HBMCJLEFSA-N 1 1 338.451 3.339 40 0 EGABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]32)C(=O)N1CC ZINC000096261602 454315116 /nfs/dbraw/zinc/31/51/16/454315116.db2.gz KLBLXWHIMHYYRI-LVCYWYKZSA-N 1 1 339.483 3.246 40 0 EGABMO O=C(N[C@H](c1ccccc1)C1CCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096404098 454323514 /nfs/dbraw/zinc/32/35/14/454323514.db2.gz LRJSMPHHHRJMHW-GUDVDZBRSA-N 1 1 327.472 3.454 40 0 EGABMO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000090723576 454337549 /nfs/dbraw/zinc/33/75/49/454337549.db2.gz DRGLEBUWCZBKTR-WWMYMODYSA-N 1 1 346.515 3.201 40 0 EGABMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000090723576 454337554 /nfs/dbraw/zinc/33/75/54/454337554.db2.gz DRGLEBUWCZBKTR-WWMYMODYSA-N 1 1 346.515 3.201 40 0 EGABMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000090723576 454337559 /nfs/dbraw/zinc/33/75/59/454337559.db2.gz DRGLEBUWCZBKTR-WWMYMODYSA-N 1 1 346.515 3.201 40 0 EGABMO COCc1cc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)no1 ZINC000096430612 454341434 /nfs/dbraw/zinc/34/14/34/454341434.db2.gz IXCQVPIFRUJFSD-CQSZACIVSA-N 1 1 343.427 3.448 40 0 EGABMO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000096430904 454342340 /nfs/dbraw/zinc/34/23/40/454342340.db2.gz PISPJYXFQMROOO-MNOVXSKESA-N 1 1 345.306 3.024 40 0 EGABMO C[C@@H]1CCN(C(=O)/C=C/c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000096433128 454343508 /nfs/dbraw/zinc/34/35/08/454343508.db2.gz GLTXECQLBMICCN-QZEKMECESA-N 1 1 335.451 3.218 40 0 EGABMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)/C=C/c3ccco3)CC2)C[C@H](C)O1 ZINC000096456017 454358391 /nfs/dbraw/zinc/35/83/91/454358391.db2.gz GTMICELXFRGYQZ-WZDWLKHJSA-N 1 1 346.471 3.031 40 0 EGABMO c1cn(-c2ccc(CNc3cccc(C[NH+]4CCOCC4)c3)cc2)cn1 ZINC000096482801 454364806 /nfs/dbraw/zinc/36/48/06/454364806.db2.gz DHVVDEAAOCHHKF-UHFFFAOYSA-N 1 1 348.450 3.317 40 0 EGABMO Cc1[nH+]ccn1CC1CCN(C(=O)CSCc2ccccc2)CC1 ZINC000062017564 454365033 /nfs/dbraw/zinc/36/50/33/454365033.db2.gz OZJHJLOCBMFXPW-UHFFFAOYSA-N 1 1 343.496 3.364 40 0 EGABMO COc1ccc(OCc2ccccn2)c(C[NH+]2CCSCC2)c1 ZINC000096489605 454368678 /nfs/dbraw/zinc/36/86/78/454368678.db2.gz MMPZJEIFAVRURN-UHFFFAOYSA-N 1 1 330.453 3.218 40 0 EGABMO Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)n(C)n1 ZINC000096491902 454369927 /nfs/dbraw/zinc/36/99/27/454369927.db2.gz QOPYWDGJMGAYRO-SNVBAGLBSA-N 1 1 341.242 3.325 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)s1 ZINC000107228213 454747215 /nfs/dbraw/zinc/74/72/15/454747215.db2.gz HECZIZUNNFBAFD-QAPCUYQASA-N 1 1 345.468 3.049 40 0 EGABMO Cc1ccc(CN2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)o1 ZINC000107746886 454772443 /nfs/dbraw/zinc/77/24/43/454772443.db2.gz JJGSEOORIJZVGU-QFBILLFUSA-N 1 1 330.403 3.065 40 0 EGABMO O=C(Nc1cccc(C(=O)c2ccccc2)c1)N1CC[NH+]2CCC1CC2 ZINC000191404285 455483060 /nfs/dbraw/zinc/48/30/60/455483060.db2.gz VNTGBTCEXVZGLH-UHFFFAOYSA-N 1 1 349.434 3.230 40 0 EGABMO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000129978903 455136333 /nfs/dbraw/zinc/13/63/33/455136333.db2.gz CRWFLEGRKVNBHW-LZWOXQAQSA-N 1 1 334.426 3.198 40 0 EGABMO COc1cccc([C@H]2[C@H](NC(=O)c3cc[nH]c3C)CC[N@H+]2C2CC2)c1 ZINC000245526333 455321794 /nfs/dbraw/zinc/32/17/94/455321794.db2.gz ANAFSCMZWPJOLC-MOPGFXCFSA-N 1 1 339.439 3.040 40 0 EGABMO CC(=O)Nc1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000181956795 455404808 /nfs/dbraw/zinc/40/48/08/455404808.db2.gz SJBMPBACTOFJLE-YWZLYKJASA-N 1 1 338.455 3.363 40 0 EGABMO C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000185390626 455553197 /nfs/dbraw/zinc/55/31/97/455553197.db2.gz UDCZPTRWZMOKLD-NEPJUHHUSA-N 1 1 325.338 3.090 40 0 EGABMO C[C@H](c1cnccn1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000185390626 455553200 /nfs/dbraw/zinc/55/32/00/455553200.db2.gz UDCZPTRWZMOKLD-NEPJUHHUSA-N 1 1 325.338 3.090 40 0 EGABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3COCc2ccncc2)cc1 ZINC000248094770 455680262 /nfs/dbraw/zinc/68/02/62/455680262.db2.gz MHMRHWOLRNRSKH-HXUWFJFHSA-N 1 1 338.451 3.198 40 0 EGABMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3cccs3)[C@@H](C)C2)s1 ZINC000253419203 455843625 /nfs/dbraw/zinc/84/36/25/455843625.db2.gz KNUSFRODRIGBHN-FZMZJTMJSA-N 1 1 335.498 3.153 40 0 EGABMO Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC000257289684 455884109 /nfs/dbraw/zinc/88/41/09/455884109.db2.gz PZUNOOAWFGUCDD-HNNXBMFYSA-N 1 1 329.448 3.182 40 0 EGABMO Cc1cccc(N2CCC[C@@H](N(C)C(=O)Cc3cccs3)C2)[nH+]1 ZINC000257305746 455887917 /nfs/dbraw/zinc/88/79/17/455887917.db2.gz SRIFLWCGZMRQEG-OAHLLOKOSA-N 1 1 329.469 3.121 40 0 EGABMO CCOc1ccc(C[N@H+]2CCC[C@@H](Cc3n[nH]cc3C)C2)cc1CO ZINC000257344147 455897069 /nfs/dbraw/zinc/89/70/69/455897069.db2.gz ZVYSEETZSBUUNZ-INIZCTEOSA-N 1 1 343.471 3.064 40 0 EGABMO Cc1cc(Br)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000195565607 455986003 /nfs/dbraw/zinc/98/60/03/455986003.db2.gz IUHKUBUZPWRXPR-SWLSCSKDSA-N 1 1 339.277 3.312 40 0 EGABMO COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1C ZINC000223282724 456055072 /nfs/dbraw/zinc/05/50/72/456055072.db2.gz WSBSXDQEKUFPHO-UHFFFAOYSA-N 1 1 335.407 3.428 40 0 EGABMO Fc1ccc(Cl)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000225462732 456085842 /nfs/dbraw/zinc/08/58/42/456085842.db2.gz BTGZXFCZFBAAMY-CYBMUJFWSA-N 1 1 327.827 3.497 40 0 EGABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](CCCc1ccccc1)C2 ZINC000225494091 456087672 /nfs/dbraw/zinc/08/76/72/456087672.db2.gz XMKZVATYPNFVLX-FQEVSTJZSA-N 1 1 339.483 3.026 40 0 biogenic,in-vitro EGABMO COCCn1ccnc1[C@@H]1C[N@@H+](Cc2ccco2)Cc2ccccc21 ZINC000306144734 456569512 /nfs/dbraw/zinc/56/95/12/456569512.db2.gz ZNKUNLCYKUKXPO-LJQANCHMSA-N 1 1 337.423 3.270 40 0 EGABMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H](C)C(C)(C)C)CC2)oc1C ZINC000363140862 457234533 /nfs/dbraw/zinc/23/45/33/457234533.db2.gz NWBIZEZINHOGJL-CYBMUJFWSA-N 1 1 335.492 3.302 40 0 EGABMO CNC(=O)C[C@@H]1Cn2cccc2C[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000585099009 459823045 /nfs/dbraw/zinc/82/30/45/459823045.db2.gz AUSSZAQEOLBLMC-AWEZNQCLSA-N 1 1 349.837 3.049 40 0 EGABMO CNC(=O)C[C@@H]1Cn2cccc2C[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000585099009 459823046 /nfs/dbraw/zinc/82/30/46/459823046.db2.gz AUSSZAQEOLBLMC-AWEZNQCLSA-N 1 1 349.837 3.049 40 0 EGABMO O=C(c1cc2ccccc2[nH]1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575608571 459980908 /nfs/dbraw/zinc/98/09/08/459980908.db2.gz UQNWTVQDPYIAHD-UHFFFAOYSA-N 1 1 343.496 3.211 40 0 EGABMO COc1ccc([C@@H]2C[C@H]2CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000614728442 460214672 /nfs/dbraw/zinc/21/46/72/460214672.db2.gz HGZIBIIDABOYAJ-PXKYIRMRSA-N 1 1 342.483 3.272 40 0 EGABMO COCCn1ccnc1[C@H]1C[N@@H+](Cc2ccoc2)Cc2ccccc21 ZINC000306130485 547459650 /nfs/dbraw/zinc/45/96/50/547459650.db2.gz JHUASNUICFGCAD-IBGZPJMESA-N 1 1 337.423 3.270 40 0 EGABMO C[C@H](O)[C@@]12C[NH2+][C@@H](c3ccccc3)[C@@H]1CN(Cc1ccccc1)CC2 ZINC000248382117 1296411298 /nfs/dbraw/zinc/41/12/98/1296411298.db2.gz VYLVOHNDVSEGOP-AGOPTVSRSA-N 1 1 336.479 3.220 40 0 EGABMO Cc1ccc2nc(C[N@H+]3CCC[C@@H]3c3cccc(F)c3)cc(=O)n2c1 ZINC000053717961 214195528 /nfs/dbraw/zinc/19/55/28/214195528.db2.gz XSNRGZXXGONGGH-GOSISDBHSA-N 1 1 337.398 3.479 40 0 EGABMO CCCCc1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@H+]3C)[nH]n1 ZINC000257276438 535080942 /nfs/dbraw/zinc/08/09/42/535080942.db2.gz NTTQRRKPYVRXMT-HKUYNNGSSA-N 1 1 332.492 3.231 40 0 EGABMO CCCCc1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@@H+]3C)n[nH]1 ZINC000257276438 535080947 /nfs/dbraw/zinc/08/09/47/535080947.db2.gz NTTQRRKPYVRXMT-HKUYNNGSSA-N 1 1 332.492 3.231 40 0 EGABMO CC[N@H+]1CCC[C@@](O)(CN(Cc2ccco2)Cc2cccs2)C1 ZINC000040714631 213373429 /nfs/dbraw/zinc/37/34/29/213373429.db2.gz IIDAWUUMUFXJQS-SFHVURJKSA-N 1 1 334.485 3.190 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)cc1Cc1c(C)noc1C ZINC000036740614 213116489 /nfs/dbraw/zinc/11/64/89/213116489.db2.gz IBMUQVSENUPZIY-BFUOFWGJSA-N 1 1 344.455 3.094 40 0 EGABMO O=C(C1CCCC1)N1C[C@@H]2CCCC[N@@H+](Cc3cccnc3)[C@@H]2C1 ZINC000072330638 216155313 /nfs/dbraw/zinc/15/53/13/216155313.db2.gz IQLBXUQATGBAMV-RBUKOAKNSA-N 1 1 327.472 3.085 40 0 EGABMO CCCN1CC[NH2+][C@H](Cc2ccccc2-c2ccc(F)cc2)C1=O ZINC000072352869 216162831 /nfs/dbraw/zinc/16/28/31/216162831.db2.gz UBWRJVUQCJCEIP-LJQANCHMSA-N 1 1 326.415 3.246 40 0 EGABMO CC[N@H+]1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 ZINC000072363446 216169688 /nfs/dbraw/zinc/16/96/88/216169688.db2.gz DCIAKCIHLOPUOQ-HNNXBMFYSA-N 1 1 326.448 3.135 40 0 EGABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cnc(C)nc2)n1 ZINC000072366766 216171840 /nfs/dbraw/zinc/17/18/40/216171840.db2.gz JPZGYFNAPIVDOE-SFHVURJKSA-N 1 1 348.454 3.265 40 0 EGABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cnc(C)nc2)n1 ZINC000072366766 216171843 /nfs/dbraw/zinc/17/18/43/216171843.db2.gz JPZGYFNAPIVDOE-SFHVURJKSA-N 1 1 348.454 3.265 40 0 EGABMO Cc1nc2sccn2c1C[N@H+]1CCC[C@H](c2cncc(C)n2)C1 ZINC000072369417 216176274 /nfs/dbraw/zinc/17/62/74/216176274.db2.gz FXITWESNZLHMLP-AWEZNQCLSA-N 1 1 327.457 3.182 40 0 EGABMO c1ccc(Nc2nccc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)nc1 ZINC000072377630 216178517 /nfs/dbraw/zinc/17/85/17/216178517.db2.gz PQNJRFAWKVTDIH-KRWDZBQOSA-N 1 1 332.411 3.347 40 0 EGABMO c1ccc(Nc2nccc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)nc1 ZINC000072377630 216178520 /nfs/dbraw/zinc/17/85/20/216178520.db2.gz PQNJRFAWKVTDIH-KRWDZBQOSA-N 1 1 332.411 3.347 40 0 EGABMO Oc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377888 216179249 /nfs/dbraw/zinc/17/92/49/216179249.db2.gz DMWLZFGOBCPFMI-KRWDZBQOSA-N 1 1 348.410 3.053 40 0 EGABMO c1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377361 216179413 /nfs/dbraw/zinc/17/94/13/216179413.db2.gz WUQMAYOIKQRDIA-KRWDZBQOSA-N 1 1 332.411 3.347 40 0 EGABMO c1ccc(C[N@H+]2CCC[C@H](c3ccnc(Nc4ccccn4)n3)C2)nc1 ZINC000072377651 216179921 /nfs/dbraw/zinc/17/99/21/216179921.db2.gz IAUNHGBBGCTRRS-INIZCTEOSA-N 1 1 346.438 3.390 40 0 EGABMO COc1cccc(-c2noc([C@H]3CC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072369870 216177858 /nfs/dbraw/zinc/17/78/58/216177858.db2.gz FCEIHYIEJPABSQ-INIZCTEOSA-N 1 1 336.395 3.130 40 0 EGABMO CN(C)CC(C)(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1 ZINC000072395188 216192592 /nfs/dbraw/zinc/19/25/92/216192592.db2.gz JHGHYCRXMWPSCN-ZWKOTPCHSA-N 1 1 326.488 3.181 40 0 EGABMO CN(C)CC(C)(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1 ZINC000072395188 216192593 /nfs/dbraw/zinc/19/25/93/216192593.db2.gz JHGHYCRXMWPSCN-ZWKOTPCHSA-N 1 1 326.488 3.181 40 0 EGABMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccc(C2CC2)cc1 ZINC000191621387 239216297 /nfs/dbraw/zinc/21/62/97/239216297.db2.gz VTZBSRFYURGFPG-LJQANCHMSA-N 1 1 338.455 3.443 40 0 EGABMO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccccc1 ZINC000023186556 212358684 /nfs/dbraw/zinc/35/86/84/212358684.db2.gz RVHOLKAULJUTFS-GOSISDBHSA-N 1 1 328.387 3.228 40 0 EGABMO O=C(CC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccccc1 ZINC000023186556 212358686 /nfs/dbraw/zinc/35/86/86/212358686.db2.gz RVHOLKAULJUTFS-GOSISDBHSA-N 1 1 328.387 3.228 40 0 EGABMO Cc1cccc(/C=C/C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000023181485 212358171 /nfs/dbraw/zinc/35/81/71/212358171.db2.gz MPIAFWPMXPGLMK-AEHISBCRSA-N 1 1 330.472 3.012 40 0 EGABMO C[NH+]1CCN(C(=O)c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000022258369 212285929 /nfs/dbraw/zinc/28/59/29/212285929.db2.gz MOJKEIQXWQJEDH-UHFFFAOYSA-N 1 1 344.842 3.307 40 0 EGABMO O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CC[C@H](Nc3ccccc3)C2)C1 ZINC000239762149 242963782 /nfs/dbraw/zinc/96/37/82/242963782.db2.gz CKYQPZIJXBUFOO-RXVVDRJESA-N 1 1 349.478 3.335 40 0 EGABMO c1cc(C[N@H+]2CCO[C@H]3C[C@@H](COCc4ccncc4)C[C@@H]32)cs1 ZINC000253588545 244027025 /nfs/dbraw/zinc/02/70/25/244027025.db2.gz HJMPZLYIJWWOBG-FHWLQOOXSA-N 1 1 344.480 3.339 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@H]3C[C@@H](COCc4ccncc4)C[C@@H]32)cs1 ZINC000253588545 244027032 /nfs/dbraw/zinc/02/70/32/244027032.db2.gz HJMPZLYIJWWOBG-FHWLQOOXSA-N 1 1 344.480 3.339 40 0 EGABMO Cc1ncc(CN(C)C)c([C@@H]2CCC[N@H+]2CCOc2ccccc2)n1 ZINC000257202819 244123368 /nfs/dbraw/zinc/12/33/68/244123368.db2.gz ANOPCTOSGDBELV-IBGZPJMESA-N 1 1 340.471 3.063 40 0 EGABMO C[C@]12CC[N@@H+](Cc3cccnc3)[C@H]1CCC(=O)N2Cc1ccccc1 ZINC000257248967 244263279 /nfs/dbraw/zinc/26/32/79/244263279.db2.gz JGBCDKQRNWJDBY-FPOVZHCZSA-N 1 1 335.451 3.237 40 0 EGABMO Cn1cc(C[N@H+]2CC[C@@H](C(=O)N3CCCCC3)C2)c2cc(F)ccc21 ZINC000019747928 212061592 /nfs/dbraw/zinc/06/15/92/212061592.db2.gz XFJZPVIGZNMHBM-OAHLLOKOSA-N 1 1 343.446 3.152 40 0 EGABMO COc1ccccc1C[N@H+]1CC[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000019570070 212043749 /nfs/dbraw/zinc/04/37/49/212043749.db2.gz LWQHMTRTOAERJW-INIZCTEOSA-N 1 1 336.395 3.130 40 0 EGABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccccn1)Cc1cccnc1NC ZINC000019527198 212037984 /nfs/dbraw/zinc/03/79/84/212037984.db2.gz BLRIHZZDFBLDBT-IBGZPJMESA-N 1 1 339.487 3.005 40 0 EGABMO CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019499270 212034179 /nfs/dbraw/zinc/03/41/79/212034179.db2.gz ILVYYKLIYYCHFQ-NVXWUHKLSA-N 1 1 344.484 3.018 40 0 EGABMO CNc1ncccc1C[N@H+](CCCn1ccnc1)Cc1ccc(C)o1 ZINC000019216477 212005496 /nfs/dbraw/zinc/00/54/96/212005496.db2.gz BWMMJDRGVLRDTJ-UHFFFAOYSA-N 1 1 339.443 3.314 40 0 EGABMO CNc1ncccc1C[N@@H+](CCCn1ccnc1)Cc1ccc(C)o1 ZINC000019216477 212005499 /nfs/dbraw/zinc/00/54/99/212005499.db2.gz BWMMJDRGVLRDTJ-UHFFFAOYSA-N 1 1 339.443 3.314 40 0 EGABMO Cc1ccc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c(C)n1 ZINC000078911992 217146623 /nfs/dbraw/zinc/14/66/23/217146623.db2.gz PBPSVUDKUWXDMI-INIZCTEOSA-N 1 1 339.439 3.344 40 0 EGABMO Cc1csc([C@@H](C)NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000078925547 217148770 /nfs/dbraw/zinc/14/87/70/217148770.db2.gz GUGISWAMHIICCC-LSDHHAIUSA-N 1 1 346.500 3.332 40 0 EGABMO CCC[N@H+]1C[C@H](NC(=O)[C@H]2CC=CCC2)[C@@H](c2ccc(OC)cc2)C1 ZINC000012241808 211328781 /nfs/dbraw/zinc/32/87/81/211328781.db2.gz DXNLEZMLMFJLPC-SXLOBPIMSA-N 1 1 342.483 3.346 40 0 EGABMO COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000010311197 211163089 /nfs/dbraw/zinc/16/30/89/211163089.db2.gz SRKZRQFNLPCIDJ-SFHVURJKSA-N 1 1 338.407 3.249 40 0 EGABMO COc1ccc(OC(F)F)c(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093644345 218238031 /nfs/dbraw/zinc/23/80/31/218238031.db2.gz BLHJUEGOKIKWBM-OCCSQVGLSA-N 1 1 328.403 3.211 40 0 EGABMO CN(C(=O)C[N@@H+](C)C1CC1)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000095405837 218341089 /nfs/dbraw/zinc/34/10/89/218341089.db2.gz IAABORMMHDJPFU-LJQANCHMSA-N 1 1 345.393 3.002 40 0 EGABMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447596 218391819 /nfs/dbraw/zinc/39/18/19/218391819.db2.gz IMFXJHKTMHWXMM-LRDDRELGSA-N 1 1 336.794 3.495 40 0 EGABMO C[N@H+]1CC[C@@H](CNC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447596 218391822 /nfs/dbraw/zinc/39/18/22/218391822.db2.gz IMFXJHKTMHWXMM-LRDDRELGSA-N 1 1 336.794 3.495 40 0 EGABMO O[C@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)C1 ZINC000049609542 275058578 /nfs/dbraw/zinc/05/85/78/275058578.db2.gz KWEIHEXHQOGGOY-AZUAARDMSA-N 1 1 343.398 3.390 40 0 EGABMO O[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)C1 ZINC000049609542 275058579 /nfs/dbraw/zinc/05/85/79/275058579.db2.gz KWEIHEXHQOGGOY-AZUAARDMSA-N 1 1 343.398 3.390 40 0 EGABMO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000249417412 280422948 /nfs/dbraw/zinc/42/29/48/280422948.db2.gz ZTAFZZONAOHQQS-QSPRXWTASA-N 1 1 348.453 3.465 40 0 EGABMO CCCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003179599 452745887 /nfs/dbraw/zinc/74/58/87/452745887.db2.gz YRLIENNWQSKHDM-UHFFFAOYSA-N 1 1 332.897 3.129 40 0 EGABMO Cc1cccn2c(=O)cc(C[N@H+](C)Cc3ccc(Cl)s3)nc12 ZINC000008073346 453157425 /nfs/dbraw/zinc/15/74/25/453157425.db2.gz MUHLPQKIVJPDKO-UHFFFAOYSA-N 1 1 333.844 3.350 40 0 EGABMO Cc1cccn2c(=O)cc(C[N@@H+](C)Cc3ccc(Cl)s3)nc12 ZINC000008073346 453157433 /nfs/dbraw/zinc/15/74/33/453157433.db2.gz MUHLPQKIVJPDKO-UHFFFAOYSA-N 1 1 333.844 3.350 40 0 EGABMO COc1ccc(C)cc1C[N@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000016356065 453601899 /nfs/dbraw/zinc/60/18/99/453601899.db2.gz NXKDURQANRJDQT-AWEZNQCLSA-N 1 1 332.469 3.202 40 0 EGABMO COc1ccc(C)cc1C[N@@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000016356065 453601903 /nfs/dbraw/zinc/60/19/03/453601903.db2.gz NXKDURQANRJDQT-AWEZNQCLSA-N 1 1 332.469 3.202 40 0 EGABMO Cc1cc2nc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)cc(N)n2n1 ZINC000019129175 453654288 /nfs/dbraw/zinc/65/42/88/453654288.db2.gz PMVGHCOUYVTJGO-KRWDZBQOSA-N 1 1 335.455 3.042 40 0 EGABMO O=C1NC[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)Oc2ccccc21 ZINC000019371932 453656380 /nfs/dbraw/zinc/65/63/80/453656380.db2.gz GGNONQJFXASSTJ-XLIONFOSSA-N 1 1 336.435 3.090 40 0 EGABMO Oc1cccc(C[N@H+]2CCC[C@@H](c3noc(-c4ccccn4)n3)C2)c1 ZINC000019402980 453656838 /nfs/dbraw/zinc/65/68/38/453656838.db2.gz SQWPLQWMABNFIQ-OAHLLOKOSA-N 1 1 336.395 3.217 40 0 EGABMO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3csc(C)n3)C2)c1 ZINC000081571108 453889208 /nfs/dbraw/zinc/88/92/08/453889208.db2.gz HGXKTLAQLOZDEI-HNNXBMFYSA-N 1 1 347.484 3.179 40 0 EGABMO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)Cc3csc(C)n3)C2)c1 ZINC000081571108 453889211 /nfs/dbraw/zinc/88/92/11/453889211.db2.gz HGXKTLAQLOZDEI-HNNXBMFYSA-N 1 1 347.484 3.179 40 0 EGABMO O=C(C[NH2+]C1(c2nccs2)CCCC1)N1CCc2ccccc21 ZINC000081594460 453892626 /nfs/dbraw/zinc/89/26/26/453892626.db2.gz FUTCNBKVKPAIRH-UHFFFAOYSA-N 1 1 327.453 3.091 40 0 EGABMO CSc1ncccc1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000032848474 453893865 /nfs/dbraw/zinc/89/38/65/453893865.db2.gz NKXDPNGCFRUHHK-UHFFFAOYSA-N 1 1 341.480 3.152 40 0 EGABMO COc1ccc(C)cc1C[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000045822346 454187115 /nfs/dbraw/zinc/18/71/15/454187115.db2.gz OHRNZMYFIVXKNL-UHFFFAOYSA-N 1 1 331.412 3.319 40 0 EGABMO CC1(C)[C@@H]2C[C@H]1C(COC[C@H](O)C[N@H+]1CCc3ccccc3C1)=CC2 ZINC000058407786 454200247 /nfs/dbraw/zinc/20/02/47/454200247.db2.gz DCHBVYQEDRWVSH-HBMCJLEFSA-N 1 1 341.495 3.415 40 0 EGABMO CCOc1cc([C@H]([NH3+])c2nc(-c3ccccc3F)n[nH]2)ccc1OC ZINC000095534424 454230603 /nfs/dbraw/zinc/23/06/03/454230603.db2.gz OAUAVNFQAMYAJP-INIZCTEOSA-N 1 1 342.374 3.066 40 0 EGABMO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000071873505 454238199 /nfs/dbraw/zinc/23/81/99/454238199.db2.gz OZONDJGFGFIMQN-XLIONFOSSA-N 1 1 344.499 3.363 40 0 EGABMO c1coc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c1 ZINC000096056431 454274569 /nfs/dbraw/zinc/27/45/69/454274569.db2.gz FLOUVMNXFCNXPP-GUDVDZBRSA-N 1 1 328.412 3.013 40 0 EGABMO CCOC[C@H]1C[N@H+](Cc2ccsc2)Cc2cn(CC3CC3)nc21 ZINC000096059959 454276077 /nfs/dbraw/zinc/27/60/77/454276077.db2.gz GRNWHIDTTLRPRL-QGZVFWFLSA-N 1 1 331.485 3.491 40 0 EGABMO CCOC[C@H]1C[N@@H+](Cc2ccsc2)Cc2cn(CC3CC3)nc21 ZINC000096059959 454276083 /nfs/dbraw/zinc/27/60/83/454276083.db2.gz GRNWHIDTTLRPRL-QGZVFWFLSA-N 1 1 331.485 3.491 40 0 EGABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)c3cccs3)C[C@H]12 ZINC000096058432 454276272 /nfs/dbraw/zinc/27/62/72/454276272.db2.gz ZWCRZQUNDFXQRC-PKOBYXMFSA-N 1 1 326.465 3.236 40 0 EGABMO Cc1cccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)c1 ZINC000096089020 454281563 /nfs/dbraw/zinc/28/15/63/454281563.db2.gz TXQRWMJDTMOIPL-PWRODBHTSA-N 1 1 345.483 3.170 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)o1 ZINC000096107330 454284544 /nfs/dbraw/zinc/28/45/44/454284544.db2.gz IZSSLTRKTRSYCL-UXHICEINSA-N 1 1 342.439 3.323 40 0 EGABMO c1cc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cs1 ZINC000096107296 454285007 /nfs/dbraw/zinc/28/50/07/454285007.db2.gz RZMQWTJIQKXPCX-MOPGFXCFSA-N 1 1 344.480 3.483 40 0 EGABMO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000096145643 454292973 /nfs/dbraw/zinc/29/29/73/454292973.db2.gz ASDLWPDCMVEIRM-MSOLQXFVSA-N 1 1 330.435 3.254 40 0 EGABMO Cn1cccc1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC000096158134 454295801 /nfs/dbraw/zinc/29/58/01/454295801.db2.gz WYGBSVSZNLMWAJ-LJQANCHMSA-N 1 1 343.496 3.215 40 0 EGABMO Fc1ccccc1C[N@H+]1C[C@H](OCC2CCOCC2)[C@H]2OCCC[C@H]21 ZINC000096187087 454299641 /nfs/dbraw/zinc/29/96/41/454299641.db2.gz PXJBSNMXDNSFEI-AABGKKOBSA-N 1 1 349.446 3.001 40 0 EGABMO Fc1cccc(C[N@H+]2Cc3ccnn3C[C@H](COCC3CC3)C2)c1 ZINC000096189124 454299687 /nfs/dbraw/zinc/29/96/87/454299687.db2.gz SLJMVTWWEUYIKT-QGZVFWFLSA-N 1 1 329.419 3.081 40 0 EGABMO Fc1cccc(C[N@@H+]2Cc3ccnn3C[C@H](COCC3CC3)C2)c1 ZINC000096189124 454299690 /nfs/dbraw/zinc/29/96/90/454299690.db2.gz SLJMVTWWEUYIKT-QGZVFWFLSA-N 1 1 329.419 3.081 40 0 EGABMO Cc1nc(COC[C@H]2CC[C@H]3[C@H](CC[N@H+]3Cc3ccco3)O2)cs1 ZINC000096186765 454300000 /nfs/dbraw/zinc/30/00/00/454300000.db2.gz MLWKHHXBNBOTTH-SQNIBIBYSA-N 1 1 348.468 3.383 40 0 EGABMO Cc1cc(C[N@@H+]2CCc3c(CNc4ncccn4)cncc3C2)oc1C ZINC000096189537 454301536 /nfs/dbraw/zinc/30/15/36/454301536.db2.gz YYVSUSRXZAYKAI-UHFFFAOYSA-N 1 1 349.438 3.252 40 0 EGABMO Cc1cc(C[N@H+]2CCc3c(CNc4ncccn4)cncc3C2)oc1C ZINC000096189537 454301542 /nfs/dbraw/zinc/30/15/42/454301542.db2.gz YYVSUSRXZAYKAI-UHFFFAOYSA-N 1 1 349.438 3.252 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)cs1 ZINC000096208362 454304101 /nfs/dbraw/zinc/30/41/01/454304101.db2.gz VQAQJCWWUORPAZ-AEFFLSMTSA-N 1 1 344.484 3.021 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4cccnc4)C3)C2)s1 ZINC000096239103 454310757 /nfs/dbraw/zinc/31/07/57/454310757.db2.gz RKMMRKHODKCLFT-SFHVURJKSA-N 1 1 327.453 3.081 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccccc2)C[C@]12CCN(c1cnccn1)C2 ZINC000096239721 454311828 /nfs/dbraw/zinc/31/18/28/454311828.db2.gz XKWNHACAZPYHFN-SFHVURJKSA-N 1 1 344.409 3.214 40 0 EGABMO Cc1ccc(C(=O)N2CCCn3cnc(C[N@@H+](C)C(C)C)c3C2)cc1 ZINC000096259227 454313186 /nfs/dbraw/zinc/31/31/86/454313186.db2.gz CJIHVUVHMMMTKH-UHFFFAOYSA-N 1 1 340.471 3.078 40 0 EGABMO Cc1ccc(C(=O)N2CCCn3cnc(C[N@H+](C)C(C)C)c3C2)cc1 ZINC000096259227 454313189 /nfs/dbraw/zinc/31/31/89/454313189.db2.gz CJIHVUVHMMMTKH-UHFFFAOYSA-N 1 1 340.471 3.078 40 0 EGABMO CNC(=O)CC[N@@H+](C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000096424557 454338374 /nfs/dbraw/zinc/33/83/74/454338374.db2.gz SBFZGPWHTQPOAK-OAHLLOKOSA-N 1 1 326.440 3.491 40 0 EGABMO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(=O)n3ccccc3n2)s1 ZINC000096424510 454338438 /nfs/dbraw/zinc/33/84/38/454338438.db2.gz CGUQMBOPSGFOEP-CYBMUJFWSA-N 1 1 342.468 3.215 40 0 EGABMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(=O)n3ccccc3n2)s1 ZINC000096424510 454338441 /nfs/dbraw/zinc/33/84/41/454338441.db2.gz CGUQMBOPSGFOEP-CYBMUJFWSA-N 1 1 342.468 3.215 40 0 EGABMO CC(=O)Nc1cccc(C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)c1 ZINC000096424431 454338447 /nfs/dbraw/zinc/33/84/47/454338447.db2.gz WQWYUZZIFDGETI-HXUWFJFHSA-N 1 1 342.414 3.482 40 0 EGABMO O[C@@H](c1ccccc1)C1(CNC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000090771280 454339703 /nfs/dbraw/zinc/33/97/03/454339703.db2.gz GSNFCDXAVOTKQI-FQEVSTJZSA-N 1 1 328.500 3.497 40 0 EGABMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)cn1 ZINC000096432957 454343450 /nfs/dbraw/zinc/34/34/50/454343450.db2.gz UXCZYHRIPWGRKU-INIZCTEOSA-N 1 1 343.858 3.329 40 0 EGABMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)cn1 ZINC000096432958 454343591 /nfs/dbraw/zinc/34/35/91/454343591.db2.gz UXCZYHRIPWGRKU-MRXNPFEDSA-N 1 1 343.858 3.329 40 0 EGABMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc(N3CCCC3)c2)CC[N@H+]1C ZINC000096434432 454345656 /nfs/dbraw/zinc/34/56/56/454345656.db2.gz NAAWBLWANQAWPT-RHSMWYFYSA-N 1 1 348.466 3.372 40 0 EGABMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(F)c(-n3cccc3)c2)C1 ZINC000096453146 454356358 /nfs/dbraw/zinc/35/63/58/454356358.db2.gz PVBCOVWNLFIMLZ-HNNXBMFYSA-N 1 1 344.434 3.422 40 0 EGABMO CC(C)Cc1nnc([C@@H](C)N2CCN(c3cc[nH+]cc3Cl)CC2)o1 ZINC000096487495 454367237 /nfs/dbraw/zinc/36/72/37/454367237.db2.gz SXUYQQHCFOQYOT-CYBMUJFWSA-N 1 1 349.866 3.200 40 0 EGABMO C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1nccs1 ZINC000097378823 454435909 /nfs/dbraw/zinc/43/59/09/454435909.db2.gz GFABNTBMLOOSDT-YCPHGPKFSA-N 1 1 344.484 3.024 40 0 EGABMO COc1ccccc1[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000073884774 454496542 /nfs/dbraw/zinc/49/65/42/454496542.db2.gz KFFTWQOCXGYKRG-INIZCTEOSA-N 1 1 341.455 3.421 40 0 EGABMO CN(C(=O)CCc1cccnc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074447092 454583235 /nfs/dbraw/zinc/58/32/35/454583235.db2.gz PQVVYAATHVRXTE-HXUWFJFHSA-N 1 1 337.467 3.137 40 0 EGABMO Cc1cc(Cl)ccc1C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000136153576 454724443 /nfs/dbraw/zinc/72/44/43/454724443.db2.gz DLNWUGQPKDIBSB-UHFFFAOYSA-N 1 1 343.858 3.392 40 0 EGABMO Cc1cc(Cl)ccc1C[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000136153576 454724447 /nfs/dbraw/zinc/72/44/47/454724447.db2.gz DLNWUGQPKDIBSB-UHFFFAOYSA-N 1 1 343.858 3.392 40 0 EGABMO Cc1ncsc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000107712066 454770015 /nfs/dbraw/zinc/77/00/15/454770015.db2.gz SEWYPOTXDYBQCO-MSOLQXFVSA-N 1 1 336.501 3.249 40 0 EGABMO c1csc(C[N@@H+]2CC[C@@H]3[C@H](CC2)OCCN3c2cccnc2)c1 ZINC000247856765 455649984 /nfs/dbraw/zinc/64/99/84/455649984.db2.gz XUCSKECROGLCQN-MSOLQXFVSA-N 1 1 329.469 3.013 40 0 EGABMO c1cc2n(n1)[C@H](CCOCC1CCOCC1)C[N@@H+](CC1CCCC1)C2 ZINC000248338485 455705069 /nfs/dbraw/zinc/70/50/69/455705069.db2.gz RMFYREOXRGDIDQ-HXUWFJFHSA-N 1 1 347.503 3.263 40 0 EGABMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(OCC4CC4)cc3)[C@H]2C1 ZINC000248814905 455732827 /nfs/dbraw/zinc/73/28/27/455732827.db2.gz DJYZYXDULUFRIZ-AABGKKOBSA-N 1 1 331.456 3.244 40 0 EGABMO COc1ccccc1COC[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000252537134 455820335 /nfs/dbraw/zinc/82/03/35/455820335.db2.gz KKFLYCQTSJXWSB-UXHICEINSA-N 1 1 341.451 3.410 40 0 EGABMO Cc1nc(C2CC2)oc1C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000253420635 455844615 /nfs/dbraw/zinc/84/46/15/455844615.db2.gz ZIWSHANXQKELEB-DYVFJYSZSA-N 1 1 339.439 3.253 40 0 EGABMO C[C@H]1CN(C(=O)Nc2ccc(C3CCC3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000253433588 455849650 /nfs/dbraw/zinc/84/96/50/455849650.db2.gz YYIXGVCVMZXCCP-HNAYVOBHSA-N 1 1 343.471 3.139 40 0 EGABMO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000253498514 455850519 /nfs/dbraw/zinc/85/05/19/455850519.db2.gz DHLGTTUFAHBXDS-MVSFUWRLSA-N 1 1 345.527 3.357 40 0 EGABMO C[N@H+]1CCC[C@@H]2N(C(=O)C(C)(C)Oc3ccc(F)cc3)CCC[C@@]21C ZINC000257290864 455884279 /nfs/dbraw/zinc/88/42/79/455884279.db2.gz QEQJQYUGTQREIN-PXNSSMCTSA-N 1 1 348.462 3.458 40 0 EGABMO COc1ccccc1C[N@H+]1CCC[C@H]1c1ccnc(CNC(C)=O)c1 ZINC000257298604 455885148 /nfs/dbraw/zinc/88/51/48/455885148.db2.gz RMLQXSFAWOCGFI-IBGZPJMESA-N 1 1 339.439 3.063 40 0 EGABMO COc1ccc([C@H]2C[N@H+](Cc3ccsc3)CCN2C(C)=O)cc1 ZINC000257300084 455886861 /nfs/dbraw/zinc/88/68/61/455886861.db2.gz RSUPGASTMAEILY-GOSISDBHSA-N 1 1 330.453 3.162 40 0 EGABMO COc1ccc([C@H]2C[N@@H+](Cc3ccsc3)CCN2C(C)=O)cc1 ZINC000257300084 455886867 /nfs/dbraw/zinc/88/68/67/455886867.db2.gz RSUPGASTMAEILY-GOSISDBHSA-N 1 1 330.453 3.162 40 0 EGABMO CCn1cc(C[NH+]2CC3(C2)CO[C@@H](Cc2cccc(F)c2)C3)c(C)n1 ZINC000257319101 455890282 /nfs/dbraw/zinc/89/02/82/455890282.db2.gz VQSQELBEUVCGRL-IBGZPJMESA-N 1 1 343.446 3.184 40 0 EGABMO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000257323976 455892282 /nfs/dbraw/zinc/89/22/82/455892282.db2.gz WMQLJOBMEHRDRS-QGZVFWFLSA-N 1 1 335.411 3.481 40 0 EGABMO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000257323976 455892290 /nfs/dbraw/zinc/89/22/90/455892290.db2.gz WMQLJOBMEHRDRS-QGZVFWFLSA-N 1 1 335.411 3.481 40 0 EGABMO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2CCc2ccc(F)cc2)ccn1 ZINC000257330530 455893578 /nfs/dbraw/zinc/89/35/78/455893578.db2.gz XOTQTXUVSPHHPO-FQEVSTJZSA-N 1 1 341.430 3.236 40 0 EGABMO COc1ccc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000225315210 456076760 /nfs/dbraw/zinc/07/67/60/456076760.db2.gz JXGQKTYHMCMIIT-UHFFFAOYSA-N 1 1 349.434 3.438 40 0 EGABMO Fc1ccc(Cl)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000225462695 456085777 /nfs/dbraw/zinc/08/57/77/456085777.db2.gz BTGZXFCZFBAAMY-ZDUSSCGKSA-N 1 1 327.827 3.497 40 0 EGABMO COc1cc(-c2noc(C[N@H+]3CCC[C@H]3C)n2)cc(Cl)c1OC ZINC000225494494 456089126 /nfs/dbraw/zinc/08/91/26/456089126.db2.gz NAEDSHNUFAVEEM-SNVBAGLBSA-N 1 1 337.807 3.392 40 0 EGABMO CC[N@@H+]1CC=C(c2nn3c(nnc3-c3ccc(C)cc3)s2)CC1 ZINC000226250188 456107954 /nfs/dbraw/zinc/10/79/54/456107954.db2.gz NMTWSHIPLNXWEN-UHFFFAOYSA-N 1 1 325.441 3.270 40 0 EGABMO CC(C)c1ncc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)s1 ZINC000354153069 457096484 /nfs/dbraw/zinc/09/64/84/457096484.db2.gz GDOVQDGIWDQRMR-QGZVFWFLSA-N 1 1 343.496 3.200 40 0 EGABMO CC(C)c1ncc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)s1 ZINC000354153069 457096489 /nfs/dbraw/zinc/09/64/89/457096489.db2.gz GDOVQDGIWDQRMR-QGZVFWFLSA-N 1 1 343.496 3.200 40 0 EGABMO COc1ccccc1C[NH+]1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000585105565 459825206 /nfs/dbraw/zinc/82/52/06/459825206.db2.gz ZZUCDCOAQNVNKH-QGZVFWFLSA-N 1 1 342.464 3.229 40 0 EGABMO CC[N@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575419546 459973782 /nfs/dbraw/zinc/97/37/82/459973782.db2.gz IJKCKHAPNSPXOL-GOSISDBHSA-N 1 1 329.465 3.285 40 0 EGABMO CC[N@@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575419546 459973787 /nfs/dbraw/zinc/97/37/87/459973787.db2.gz IJKCKHAPNSPXOL-GOSISDBHSA-N 1 1 329.465 3.285 40 0 EGABMO CCCCc1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@H+]3C)n[nH]1 ZINC000257276438 535080952 /nfs/dbraw/zinc/08/09/52/535080952.db2.gz NTTQRRKPYVRXMT-HKUYNNGSSA-N 1 1 332.492 3.231 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169637 213992097 /nfs/dbraw/zinc/99/20/97/213992097.db2.gz RVIVFQZLUGVZBY-INIZCTEOSA-N 1 1 336.395 3.130 40 0 biogenic,in-vitro EGABMO CC[N@H+]1CCC[C@](O)(CN(Cc2ccco2)Cc2cccs2)C1 ZINC000040714629 213372840 /nfs/dbraw/zinc/37/28/40/213372840.db2.gz IIDAWUUMUFXJQS-GOSISDBHSA-N 1 1 334.485 3.190 40 0 EGABMO CCOCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038856810 213228070 /nfs/dbraw/zinc/22/80/70/213228070.db2.gz HNDYLGCGNCGTGA-INIZCTEOSA-N 1 1 338.879 3.095 40 0 EGABMO Cc1cc(-c2cncnc2[C@@H]2CCC[N@H+](Cc3cscn3)C2)on1 ZINC000072334668 216156547 /nfs/dbraw/zinc/15/65/47/216156547.db2.gz PUBRVHSZAAMNNX-CYBMUJFWSA-N 1 1 341.440 3.276 40 0 EGABMO Cc1cc(-c2cncnc2[C@@H]2CCC[N@@H+](Cc3cscn3)C2)on1 ZINC000072334668 216156550 /nfs/dbraw/zinc/15/65/50/216156550.db2.gz PUBRVHSZAAMNNX-CYBMUJFWSA-N 1 1 341.440 3.276 40 0 EGABMO Cc1nc([C@H]2CCCC[N@H+]2C2CCCCC2)ncc1C(=O)N(C)C ZINC000072345470 216159177 /nfs/dbraw/zinc/15/91/77/216159177.db2.gz QBNZPHQBUIEBPF-QGZVFWFLSA-N 1 1 330.476 3.347 40 0 EGABMO Cc1nc(Nc2ncccn2)cc([C@@H]2CC[N@@H+](CC(C)(C)C)C2)n1 ZINC000072383653 216183812 /nfs/dbraw/zinc/18/38/12/216183812.db2.gz ZUFRRCDDEWCBIY-CQSZACIVSA-N 1 1 326.448 3.154 40 0 EGABMO CC(C)[N@H+]1CCC[C@H](Cc2ccc(NCCc3ccncc3)nn2)C1 ZINC000072387417 216187133 /nfs/dbraw/zinc/18/71/33/216187133.db2.gz GEGZRBSURQTVPR-GOSISDBHSA-N 1 1 339.487 3.189 40 0 EGABMO Cc1ccc(/C=C/C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000023181547 212358701 /nfs/dbraw/zinc/35/87/01/212358701.db2.gz UBAHEHWSIQCQCC-DTEKQVELSA-N 1 1 336.501 3.074 40 0 EGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccc3c(c2)OCO3)C1 ZINC000225727842 242006558 /nfs/dbraw/zinc/00/65/58/242006558.db2.gz BMVVCMCAWLIHMB-OKILXGFUSA-N 1 1 349.500 3.070 40 0 EGABMO O=C1c2ccccc2C(=O)N1CC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000021584269 212233322 /nfs/dbraw/zinc/23/33/22/212233322.db2.gz OSPYKMLMXFOKRY-UHFFFAOYSA-N 1 1 338.382 3.086 40 0 EGABMO O=C1c2ccccc2C(=O)N1CC[N@H+](Cc1ccccc1F)C1CC1 ZINC000021584269 212233324 /nfs/dbraw/zinc/23/33/24/212233324.db2.gz OSPYKMLMXFOKRY-UHFFFAOYSA-N 1 1 338.382 3.086 40 0 EGABMO CC(C)OCCCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020488777 212138256 /nfs/dbraw/zinc/13/82/56/212138256.db2.gz ABZQQLPTRNRLBA-KRWDZBQOSA-N 1 1 332.488 3.463 40 0 EGABMO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2F)ccn1 ZINC000257245156 244256432 /nfs/dbraw/zinc/25/64/32/244256432.db2.gz IOGKJVSYCCSUBT-LJQANCHMSA-N 1 1 345.393 3.333 40 0 EGABMO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2F)ccn1 ZINC000257245156 244256433 /nfs/dbraw/zinc/25/64/33/244256433.db2.gz IOGKJVSYCCSUBT-LJQANCHMSA-N 1 1 345.393 3.333 40 0 EGABMO Cc1nc[nH]c1C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257233712 244222322 /nfs/dbraw/zinc/22/23/22/244222322.db2.gz GQJIJDWRVXIPNE-PMACEKPBSA-N 1 1 341.455 3.058 40 0 EGABMO CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@H+]2Cc1cccnc1 ZINC000257257853 244286702 /nfs/dbraw/zinc/28/67/02/244286702.db2.gz KRIWZSIDERGQQR-FKBYEOEOSA-N 1 1 349.478 3.451 40 0 EGABMO Cc1cc(N(C)C)cc([C@@H]2CN(Cc3ccc(Cl)cn3)CCO2)[nH+]1 ZINC000257266082 244361421 /nfs/dbraw/zinc/36/14/21/244361421.db2.gz MBLSVTIYRFPIJR-SFHVURJKSA-N 1 1 346.862 3.078 40 0 EGABMO Cn1nc([C@H]2CCCN2C(=O)CCC2CCCC2)cc1C[NH+](C)C ZINC000019709062 212056189 /nfs/dbraw/zinc/05/61/89/212056189.db2.gz NKYLFKDXIUCTNO-GOSISDBHSA-N 1 1 332.492 3.116 40 0 EGABMO C[C@@H]1C[C@@H]1C(=O)N(C)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019462657 212031410 /nfs/dbraw/zinc/03/14/10/212031410.db2.gz XYXLQFRGOUIUPI-BQSYYEAHSA-N 1 1 342.483 3.307 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000019500947 212033160 /nfs/dbraw/zinc/03/31/60/212033160.db2.gz GWIKTCAIDIIMEL-CRAIPNDOSA-N 1 1 340.471 3.491 40 0 EGABMO O[C@]1(c2cccnc2)CCC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000012337137 211351236 /nfs/dbraw/zinc/35/12/36/211351236.db2.gz GCEVUISTTAMAGY-KNBMTAEXSA-N 1 1 344.405 3.480 40 0 EGABMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000093360992 218217990 /nfs/dbraw/zinc/21/79/90/218217990.db2.gz ZYJPSCMWBXADAW-KRWDZBQOSA-N 1 1 339.439 3.140 40 0 EGABMO COc1ccc(OC(F)F)c(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000093644346 218238703 /nfs/dbraw/zinc/23/87/03/218238703.db2.gz BLHJUEGOKIKWBM-JSGCOSHPSA-N 1 1 328.403 3.211 40 0 EGABMO CCOC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000095431993 218375239 /nfs/dbraw/zinc/37/52/39/218375239.db2.gz ONIHBFNKQYVQDW-DOTOQJQBSA-N 1 1 349.862 3.264 40 0 EGABMO C[N@H+]1CC[C@@H](CSC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000005047893 210374927 /nfs/dbraw/zinc/37/49/27/210374927.db2.gz WVGFMVMRLGYKNG-MRXNPFEDSA-N 1 1 341.476 3.134 40 0 EGABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000019338227 285241842 /nfs/dbraw/zinc/24/18/42/285241842.db2.gz LBYKRZHCMRWGKK-UFRUDQCGSA-N 1 1 326.415 3.340 40 0 EGABMO c1ccc2c(c1)oc1c2ncnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000057327404 132199799 /nfs/dbraw/zinc/19/97/99/132199799.db2.gz KMCOMEPOTQQSPZ-UHFFFAOYSA-N 1 1 345.406 3.093 40 0 EGABMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000418137109 309237190 /nfs/dbraw/zinc/23/71/90/309237190.db2.gz DCQBXYWAJRIZOC-KRWDZBQOSA-N 1 1 328.460 3.385 40 0 EGABMO COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000097234425 323215251 /nfs/dbraw/zinc/21/52/51/323215251.db2.gz GZCPEZKKRYGDDM-DZKIICNBSA-N 1 1 349.450 3.021 40 0 EGABMO COc1ccc(OCC[N@H+](C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000003490950 452771809 /nfs/dbraw/zinc/77/18/09/452771809.db2.gz DOUOCOSIVCZFNF-UHFFFAOYSA-N 1 1 342.439 3.261 40 0 EGABMO COc1ccc(OCC[N@@H+](C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000003490950 452771817 /nfs/dbraw/zinc/77/18/17/452771817.db2.gz DOUOCOSIVCZFNF-UHFFFAOYSA-N 1 1 342.439 3.261 40 0 EGABMO CC[C@@H]1C[N@H+]2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc21 ZINC000004000060 452790240 /nfs/dbraw/zinc/79/02/40/452790240.db2.gz LJOQGZACKSYWCH-VPCNSNALSA-N 1 1 326.440 3.397 40 0 EGABMO CC(C)(C)[N@@H+](CC(=O)c1ccc(O)c(CO)c1)Cc1ccccc1 ZINC000005352548 452862370 /nfs/dbraw/zinc/86/23/70/452862370.db2.gz OCLIQASIQHOWRE-UHFFFAOYSA-N 1 1 327.424 3.368 40 0 in-vitro EGABMO COc1cc(C[NH2+]CCCN(C)C)ccc1OCc1ccccc1 ZINC000008373860 453197572 /nfs/dbraw/zinc/19/75/72/453197572.db2.gz BXUJTTKNKMBPGL-UHFFFAOYSA-N 1 1 328.456 3.316 40 0 EGABMO CC1CC[NH+](Cn2c3ccc(Br)cc3oc2=O)CC1 ZINC000029502335 453829367 /nfs/dbraw/zinc/82/93/67/453829367.db2.gz HTZVJESTTJSJJN-UHFFFAOYSA-N 1 1 325.206 3.046 40 0 EGABMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccsc1 ZINC000030435262 453835913 /nfs/dbraw/zinc/83/59/13/453835913.db2.gz UPDPZDDOCYYHQB-INIZCTEOSA-N 1 1 338.498 3.110 40 0 EGABMO CC[C@@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](CC)CC1 ZINC000030850451 453839609 /nfs/dbraw/zinc/83/96/09/453839609.db2.gz XXDHRDGIGLRQNT-GOSISDBHSA-N 1 1 326.440 3.161 40 0 EGABMO C[C@H](CNC(=O)CSc1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000031963892 453859662 /nfs/dbraw/zinc/85/96/62/453859662.db2.gz WACCMXLRRRNTRU-CQSZACIVSA-N 1 1 346.521 3.403 40 0 EGABMO C[C@H](CNC(=O)CSc1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000031963892 453859663 /nfs/dbraw/zinc/85/96/63/453859663.db2.gz WACCMXLRRRNTRU-CQSZACIVSA-N 1 1 346.521 3.403 40 0 EGABMO CC[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nnc(C2CCC2)o1 ZINC000075918274 453938663 /nfs/dbraw/zinc/93/86/63/453938663.db2.gz NWTYPBPQMJZOOQ-GOSISDBHSA-N 1 1 340.471 3.434 40 0 EGABMO CCn1cc(C[N@@H+](CCCn2ccnc2)Cc2cccc(F)c2)cn1 ZINC000043277720 454053155 /nfs/dbraw/zinc/05/31/55/454053155.db2.gz PDDJRGMYBOOHHR-UHFFFAOYSA-N 1 1 341.434 3.331 40 0 EGABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(F)cc2F)C1 ZINC000044080816 454088185 /nfs/dbraw/zinc/08/81/85/454088185.db2.gz VLSMKMJEIRKFJE-GFCCVEGCSA-N 1 1 327.444 3.373 40 0 EGABMO c1coc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)c1 ZINC000096039974 454266140 /nfs/dbraw/zinc/26/61/40/454266140.db2.gz PZFFVFBULXQDBU-OALUTQOASA-N 1 1 328.412 3.125 40 0 EGABMO COCCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(C)s1)CC2 ZINC000096047522 454269294 /nfs/dbraw/zinc/26/92/94/454269294.db2.gz KBFXHTCQQGKQSZ-GOSISDBHSA-N 1 1 336.501 3.050 40 0 EGABMO O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](Cc1cccnc1)C2 ZINC000096048749 454271553 /nfs/dbraw/zinc/27/15/53/454271553.db2.gz MGMOLEYSAQIFTR-GOSISDBHSA-N 1 1 327.453 3.162 40 0 EGABMO CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096048001 454271847 /nfs/dbraw/zinc/27/18/47/454271847.db2.gz RHNJGEROFFUWCM-KRWDZBQOSA-N 1 1 330.428 3.128 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccco2)C[C@]12CCN(c1ccccn1)C2 ZINC000096051139 454272962 /nfs/dbraw/zinc/27/29/62/454272962.db2.gz SELGKGLSDVYEJI-KRWDZBQOSA-N 1 1 333.382 3.412 40 0 EGABMO Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2=O)c1 ZINC000096050576 454273069 /nfs/dbraw/zinc/27/30/69/454273069.db2.gz SCSSOVHZBFPJDL-OAQYLSRUSA-N 1 1 335.451 3.015 40 0 EGABMO Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4ccsc4)CC[N@H+]3C2)c1 ZINC000096055141 454273881 /nfs/dbraw/zinc/27/38/81/454273881.db2.gz AYIWWODBHTWUJB-AEFFLSMTSA-N 1 1 332.444 3.225 40 0 EGABMO Cc1ccc(C[N@@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)o1 ZINC000096056370 454274659 /nfs/dbraw/zinc/27/46/59/454274659.db2.gz FRMRLZAXIZVFAX-QRVBRYPASA-N 1 1 330.428 3.045 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1 ZINC000096056415 454274885 /nfs/dbraw/zinc/27/48/85/454274885.db2.gz SAZQXFPKJIYTPJ-VAMGGRTRSA-N 1 1 331.456 3.244 40 0 EGABMO [NH3+][C@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072228244 454276622 /nfs/dbraw/zinc/27/66/22/454276622.db2.gz AFMMJESWPWQSPQ-HUUCEWRRSA-N 1 1 338.304 3.255 40 0 EGABMO c1csc(C[N@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096065706 454278653 /nfs/dbraw/zinc/27/86/53/454278653.db2.gz WCWGGFRSJMYLRX-BZSNNMDCSA-N 1 1 330.453 3.092 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096065706 454278661 /nfs/dbraw/zinc/27/86/61/454278661.db2.gz WCWGGFRSJMYLRX-BZSNNMDCSA-N 1 1 330.453 3.092 40 0 EGABMO Cc1nc(COCc2cnc3n2CC[N@@H+](CC2CC2)[C@H]3C)cs1 ZINC000096109869 454286282 /nfs/dbraw/zinc/28/62/82/454286282.db2.gz MBBHHAWKRZUKNV-LBPRGKRZSA-N 1 1 332.473 3.151 40 0 EGABMO Cc1nc(COCc2cnc3n2CC[N@H+](CC2CC2)[C@H]3C)cs1 ZINC000096109869 454286285 /nfs/dbraw/zinc/28/62/85/454286285.db2.gz MBBHHAWKRZUKNV-LBPRGKRZSA-N 1 1 332.473 3.151 40 0 EGABMO c1csc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC000096186790 454299531 /nfs/dbraw/zinc/29/95/31/454299531.db2.gz NUWAYRMGHUSRBV-NEWSRXKRSA-N 1 1 344.480 3.482 40 0 EGABMO Cc1cccc(C[N@H+]2CCCC[C@@]23CCN(Cc2cccnc2)C3)n1 ZINC000096203148 454302373 /nfs/dbraw/zinc/30/23/73/454302373.db2.gz LQJQOSKRJGBEON-NRFANRHFSA-N 1 1 336.483 3.416 40 0 EGABMO Cc1cccc(CN2CCCC[C@@]23CC[N@H+](Cc2cccnc2)C3)n1 ZINC000096203148 454302378 /nfs/dbraw/zinc/30/23/78/454302378.db2.gz LQJQOSKRJGBEON-NRFANRHFSA-N 1 1 336.483 3.416 40 0 EGABMO Cc1cccc(CN2CCCC[C@@]23CC[N@@H+](Cc2cccnc2)C3)n1 ZINC000096203148 454302385 /nfs/dbraw/zinc/30/23/85/454302385.db2.gz LQJQOSKRJGBEON-NRFANRHFSA-N 1 1 336.483 3.416 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccncc2)C[C@]12CCN(c1ccsc1)C2=O ZINC000096201771 454302438 /nfs/dbraw/zinc/30/24/38/454302438.db2.gz WZKFCNVGWGBPKW-RDTXWAMCSA-N 1 1 327.453 3.018 40 0 EGABMO COC[C@H]1CC2(CN1Cc1csc(C)n1)CC[NH+](CC1CC1)CC2 ZINC000096240357 454311718 /nfs/dbraw/zinc/31/17/18/454311718.db2.gz NEQQWLCRQGXVHS-GOSISDBHSA-N 1 1 349.544 3.164 40 0 EGABMO Cc1nc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)CCC3(F)F)cs1 ZINC000096239795 454311969 /nfs/dbraw/zinc/31/19/69/454311969.db2.gz DKKBWEQEWQMDDD-MRXNPFEDSA-N 1 1 341.471 3.395 40 0 EGABMO Cc1cccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)Nc4ccccc4)[C@@H](C2)O3)c1 ZINC000096253395 454313364 /nfs/dbraw/zinc/31/33/64/454313364.db2.gz BZRKMHAINQHQNF-HSALFYBXSA-N 1 1 336.435 3.223 40 0 EGABMO Cc1cccc(C[N@H+]2C[C@H]3C[C@H](C(=O)Nc4ccccc4)[C@@H](C2)O3)c1 ZINC000096253395 454313369 /nfs/dbraw/zinc/31/33/69/454313369.db2.gz BZRKMHAINQHQNF-HSALFYBXSA-N 1 1 336.435 3.223 40 0 EGABMO C[C@H](c1ncc(-c2ccccc2)o1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000096421057 454335369 /nfs/dbraw/zinc/33/53/69/454335369.db2.gz XSRNZOKOWNMHTP-SJLPKXTDSA-N 1 1 341.455 3.199 40 0 EGABMO C[C@H](c1ncc(-c2ccccc2)o1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000096421055 454335690 /nfs/dbraw/zinc/33/56/90/454335690.db2.gz XSRNZOKOWNMHTP-AEFFLSMTSA-N 1 1 341.455 3.199 40 0 EGABMO Cc1[nH+]ccn1CCCNC(=O)c1cc(Br)ccc1C ZINC000096426273 454339276 /nfs/dbraw/zinc/33/92/76/454339276.db2.gz HWRANUZVHZAMOO-UHFFFAOYSA-N 1 1 336.233 3.083 40 0 EGABMO COc1ccccc1N1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cn2)C1=O ZINC000096490240 454368729 /nfs/dbraw/zinc/36/87/29/454368729.db2.gz DKEFOMJGIYSATH-BBRMVZONSA-N 1 1 343.402 3.076 40 0 EGABMO CCc1c(NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cnn1CC(C)C ZINC000096499597 454371259 /nfs/dbraw/zinc/37/12/59/454371259.db2.gz PXAHANOUXZAAQS-MAUKXSAKSA-N 1 1 347.507 3.050 40 0 EGABMO CN(C(=O)CCc1cccnc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074447094 454583516 /nfs/dbraw/zinc/58/35/16/454583516.db2.gz PQVVYAATHVRXTE-FQEVSTJZSA-N 1 1 337.467 3.137 40 0 EGABMO CC(C)n1c2ccccc2nc1[C@@H](C)[NH2+]CC(=O)Nc1ccncc1 ZINC000162280378 454764570 /nfs/dbraw/zinc/76/45/70/454764570.db2.gz MMWJTQKKBSURQF-CQSZACIVSA-N 1 1 337.427 3.302 40 0 EGABMO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000191086275 455439243 /nfs/dbraw/zinc/43/92/43/455439243.db2.gz LEJBIZCMXJDTRE-OAHLLOKOSA-N 1 1 340.320 3.469 40 0 EGABMO FC(F)(F)c1[nH]c2ncccc2c1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000247641517 455632600 /nfs/dbraw/zinc/63/26/00/455632600.db2.gz HSECZTVICRJWBE-LBPRGKRZSA-N 1 1 338.377 3.252 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)o1 ZINC000248078927 455678545 /nfs/dbraw/zinc/67/85/45/455678545.db2.gz IFDLPOIPBSGWNX-QILLFSRXSA-N 1 1 348.468 3.241 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)o1 ZINC000248078927 455678552 /nfs/dbraw/zinc/67/85/52/455678552.db2.gz IFDLPOIPBSGWNX-QILLFSRXSA-N 1 1 348.468 3.241 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)o1 ZINC000248115984 455681540 /nfs/dbraw/zinc/68/15/40/455681540.db2.gz SMJXVEQPQVOAOC-DFQSSKMNSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)o1 ZINC000248115984 455681544 /nfs/dbraw/zinc/68/15/44/455681544.db2.gz SMJXVEQPQVOAOC-DFQSSKMNSA-N 1 1 342.439 3.179 40 0 EGABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)c3cccs3)C[C@@H]12 ZINC000248166179 455692905 /nfs/dbraw/zinc/69/29/05/455692905.db2.gz ZWCRZQUNDFXQRC-IEBWSBKVSA-N 1 1 326.465 3.236 40 0 EGABMO COc1ccc([C@@H]2[C@H](CNC(=O)C3(SC)CC3)CCC[N@H+]2C)cc1 ZINC000252499959 455815258 /nfs/dbraw/zinc/81/52/58/455815258.db2.gz SJZJRTORYXMECC-DOTOQJQBSA-N 1 1 348.512 3.090 40 0 EGABMO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000253370251 455834873 /nfs/dbraw/zinc/83/48/73/455834873.db2.gz OFPGUFMZCDPUAK-MAODMQOUSA-N 1 1 346.515 3.071 40 0 EGABMO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000253498513 455850885 /nfs/dbraw/zinc/85/08/85/455850885.db2.gz DHLGTTUFAHBXDS-BIBIXIOVSA-N 1 1 345.527 3.357 40 0 EGABMO O=c1cc([C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)nc(-c2ccccn2)[nH]1 ZINC000253614856 455855691 /nfs/dbraw/zinc/85/56/91/455855691.db2.gz KWSCHPBLUXFIHA-HZPDHXFCSA-N 1 1 336.439 3.390 40 0 EGABMO Cc1c[nH]nc1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC000257289685 455883556 /nfs/dbraw/zinc/88/35/56/455883556.db2.gz PZUNOOAWFGUCDD-OAHLLOKOSA-N 1 1 329.448 3.182 40 0 EGABMO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257295543 455885109 /nfs/dbraw/zinc/88/51/09/455885109.db2.gz QYTUMFOKOXCJPO-CYBMUJFWSA-N 1 1 327.457 3.170 40 0 EGABMO CCCn1nccc1-c1nccnc1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000257315390 455888827 /nfs/dbraw/zinc/88/88/27/455888827.db2.gz VBCSTIJJWHJSAU-INIZCTEOSA-N 1 1 327.476 3.413 40 0 EGABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1ccccc1F ZINC000257327084 455891576 /nfs/dbraw/zinc/89/15/76/455891576.db2.gz WZWHSOSKLSRVRM-XBQLCILLSA-N 1 1 346.446 3.068 40 0 EGABMO O=C(Cc1ccc(O)cc1)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CC1 ZINC000257326379 455891936 /nfs/dbraw/zinc/89/19/36/455891936.db2.gz WWZOXECIKHYJFO-WOJBJXKFSA-N 1 1 342.483 3.190 40 0 EGABMO Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3c(C)nc4sccn34)C2)n1 ZINC000257338629 455895299 /nfs/dbraw/zinc/89/52/99/455895299.db2.gz YYGIHTFJUOCLIZ-CQSZACIVSA-N 1 1 329.473 3.126 40 0 EGABMO CNC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000195531557 455980968 /nfs/dbraw/zinc/98/09/68/455980968.db2.gz CTDZZXLQJBZHCI-WOJBJXKFSA-N 1 1 338.451 3.134 40 0 EGABMO CNC(=O)c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000195531558 455981199 /nfs/dbraw/zinc/98/11/99/455981199.db2.gz CTDZZXLQJBZHCI-VQTJNVASSA-N 1 1 338.451 3.134 40 0 EGABMO CC1(C)[C@@H]2C[C@H]1C(COC[C@@H](O)C[N@H+]1CCc3ccccc3C1)=CC2 ZINC000195541517 455982810 /nfs/dbraw/zinc/98/28/10/455982810.db2.gz DCHBVYQEDRWVSH-ACRUOGEOSA-N 1 1 341.495 3.415 40 0 EGABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1nccc2ccccc21 ZINC000374425349 457624828 /nfs/dbraw/zinc/62/48/28/457624828.db2.gz VBDMOGFRHOFSOL-GOSISDBHSA-N 1 1 347.418 3.030 40 0 EGABMO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@H+](CC(C)C)CC2 ZINC000585099898 459823494 /nfs/dbraw/zinc/82/34/94/459823494.db2.gz VUWBKJXPRFLPTC-LJQANCHMSA-N 1 1 333.476 3.295 40 0 EGABMO CC1CC(N(C)C(=O)c2nc3c(o2)CC[N@H+](CC2CCCCC2)C3)C1 ZINC000585112506 459825903 /nfs/dbraw/zinc/82/59/03/459825903.db2.gz QJZSQWVYKXJGAG-UHFFFAOYSA-N 1 1 345.487 3.484 40 0 EGABMO CC1CC(N(C)C(=O)c2nc3c(o2)CC[N@@H+](CC2CCCCC2)C3)C1 ZINC000585112506 459825909 /nfs/dbraw/zinc/82/59/09/459825909.db2.gz QJZSQWVYKXJGAG-UHFFFAOYSA-N 1 1 345.487 3.484 40 0 EGABMO O=C(Cn1cc[nH+]c1C1CC1)c1c[nH]c2ncc(Br)cc12 ZINC000585124109 459826988 /nfs/dbraw/zinc/82/69/88/459826988.db2.gz AZUOTXIRHAVTIZ-UHFFFAOYSA-N 1 1 345.200 3.282 40 0 EGABMO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]C2CCN(C(C)C)CC2)[C@H]1O ZINC000585288639 459833265 /nfs/dbraw/zinc/83/32/65/459833265.db2.gz GDABGOGZYKZRLT-CEWLAPEOSA-N 1 1 346.515 3.118 40 0 EGABMO C[N@H+]1C[C@@H](CNC(=O)Nc2cccc(F)c2)[C@H](c2cccs2)C1 ZINC000230134429 536484934 /nfs/dbraw/zinc/48/49/34/536484934.db2.gz FVTHARXFFOEOLI-IUODEOHRSA-N 1 1 333.432 3.354 40 0 EGABMO CC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CCO2 ZINC000306132257 547460638 /nfs/dbraw/zinc/46/06/38/547460638.db2.gz LDAAOGODECCYJB-HUUJSLGLSA-N 1 1 346.515 3.129 40 0 EGABMO CCCNC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993546 214159782 /nfs/dbraw/zinc/15/97/82/214159782.db2.gz ZOHDGYYSTHYZIB-UHFFFAOYSA-N 1 1 335.835 3.187 40 0 EGABMO O=C1C[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000100580948 219101882 /nfs/dbraw/zinc/10/18/82/219101882.db2.gz TUYHHMRBTHFXOJ-HNNXBMFYSA-N 1 1 349.217 3.415 40 0 EGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1cnn(C)c1C ZINC000036741271 213115620 /nfs/dbraw/zinc/11/56/20/213115620.db2.gz FPWHNWCNJXNMLH-QGZVFWFLSA-N 1 1 332.517 3.277 40 0 EGABMO C[C@@H](c1nccs1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000072203855 216069366 /nfs/dbraw/zinc/06/93/66/216069366.db2.gz RJUXRPIJMKYRNH-LBPRGKRZSA-N 1 1 325.478 3.441 40 0 EGABMO Cc1sc2c([C@H]3CCC[N@H+](Cc4cnn(C)c4)C3)nc(C)n2c1C ZINC000072351266 216161554 /nfs/dbraw/zinc/16/15/54/216161554.db2.gz KQNVVLPPBRSSGB-INIZCTEOSA-N 1 1 343.500 3.434 40 0 EGABMO c1cncc(C[N@H+]2CCC[C@H](c3nccnc3Oc3cccnc3)C2)c1 ZINC000072383634 216183990 /nfs/dbraw/zinc/18/39/90/216183990.db2.gz FFKUNHYKBAKEHL-KRWDZBQOSA-N 1 1 347.422 3.439 40 0 EGABMO O=C(Cc1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000074924407 216537634 /nfs/dbraw/zinc/53/76/34/216537634.db2.gz NFEJXNLLGVNKAA-UHFFFAOYSA-N 1 1 328.843 3.227 40 0 EGABMO Cn1c[nH+]cc1CCc1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000193212006 240062205 /nfs/dbraw/zinc/06/22/05/240062205.db2.gz OUZNSKGPVLVJLU-UHFFFAOYSA-N 1 1 337.427 3.246 40 0 EGABMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)c3cccnc3)n2)C1 ZINC000022293664 212288655 /nfs/dbraw/zinc/28/86/55/212288655.db2.gz TVDGNLBGFVWCJZ-BETUJISGSA-N 1 1 330.457 3.268 40 0 EGABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)c3cccnc3)n2)C1 ZINC000022293664 212288657 /nfs/dbraw/zinc/28/86/57/212288657.db2.gz TVDGNLBGFVWCJZ-BETUJISGSA-N 1 1 330.457 3.268 40 0 EGABMO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C[NH+]1CC1 ZINC000118919317 291445942 /nfs/dbraw/zinc/44/59/42/291445942.db2.gz DHLGTTUFAHBXDS-YRCTWBNTSA-N 1 1 345.527 3.357 40 0 EGABMO C[N@H+]1CCCC[C@@H]2N(C(=O)COc3ccccc3F)CCC[C@@]21C ZINC000257214051 244161454 /nfs/dbraw/zinc/16/14/54/244161454.db2.gz CKHKYDHFLYSOHP-HKUYNNGSSA-N 1 1 334.435 3.070 40 0 EGABMO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000257231969 244216885 /nfs/dbraw/zinc/21/68/85/244216885.db2.gz GIVXRLSOLJTZJI-OAHLLOKOSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000257231969 244216889 /nfs/dbraw/zinc/21/68/89/244216889.db2.gz GIVXRLSOLJTZJI-OAHLLOKOSA-N 1 1 349.442 3.026 40 0 EGABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2sccc2C)n1 ZINC000257235512 244225182 /nfs/dbraw/zinc/22/51/82/244225182.db2.gz GYDYUOCRZIRACF-QGZVFWFLSA-N 1 1 329.469 3.425 40 0 EGABMO OCCOc1cccc(C[N@H+]2CCC[C@@H]2CCc2ccncc2)c1 ZINC000257240030 244242395 /nfs/dbraw/zinc/24/23/95/244242395.db2.gz HRTQDQUTWFAVOK-LJQANCHMSA-N 1 1 326.440 3.050 40 0 EGABMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccnc(Nc4ccccn4)c3)C2)cn1 ZINC000257255974 244282250 /nfs/dbraw/zinc/28/22/50/244282250.db2.gz KJPXOVFGRBSBIP-GOSISDBHSA-N 1 1 348.454 3.333 40 0 EGABMO Fc1ccc(CNc2[nH]nc3nc([C@@H]4CCC[NH2+]C4)ccc32)cc1 ZINC000257276740 244395795 /nfs/dbraw/zinc/39/57/95/244395795.db2.gz NUXVRSLPJPQWPF-CYBMUJFWSA-N 1 1 325.391 3.176 40 0 EGABMO CN1CC[N@@H+](CC2CC2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019589673 212049359 /nfs/dbraw/zinc/04/93/59/212049359.db2.gz IBBCURJMQVBINK-HXUWFJFHSA-N 1 1 349.478 3.091 40 0 EGABMO Cc1cc(C)n(-c2cccc(C[N@H+](C)CCN3CCCCC3)c2)n1 ZINC000019574774 212045230 /nfs/dbraw/zinc/04/52/30/212045230.db2.gz LUWVUGBGOGKPFG-UHFFFAOYSA-N 1 1 326.488 3.407 40 0 EGABMO Cc1cc(C)n(-c2cccc(C[N@@H+](C)CCN3CCCCC3)c2)n1 ZINC000019574774 212045233 /nfs/dbraw/zinc/04/52/33/212045233.db2.gz LUWVUGBGOGKPFG-UHFFFAOYSA-N 1 1 326.488 3.407 40 0 EGABMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12Cc1ccccc1C2=O ZINC000019530468 212039218 /nfs/dbraw/zinc/03/92/18/212039218.db2.gz WWALFQLIWFZCOO-UGKGYDQZSA-N 1 1 349.430 3.107 40 0 EGABMO O=c1oc2ccc(Cl)cc2n1[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019346007 212019099 /nfs/dbraw/zinc/01/90/99/212019099.db2.gz ODJVUHUWHIKHRL-OAHLLOKOSA-N 1 1 343.814 3.480 40 0 EGABMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000012241106 211328221 /nfs/dbraw/zinc/32/82/21/211328221.db2.gz WVGDNTCQLQHJLE-GFCCVEGCSA-N 1 1 327.453 3.058 40 0 EGABMO CCn1cncc1C[N@@H+](CCCn1ccnc1)C[C@H]1CC=CCC1 ZINC000012116597 211295957 /nfs/dbraw/zinc/29/59/57/211295957.db2.gz KNPBYXYUUBXCAW-SFHVURJKSA-N 1 1 327.476 3.348 40 0 EGABMO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)c1C ZINC000010340037 211167098 /nfs/dbraw/zinc/16/70/98/211167098.db2.gz GHEKDWLCNHJSDP-MRXNPFEDSA-N 1 1 340.423 3.438 40 0 EGABMO NC(=O)c1csc(C[N@H+]2CCC[C@@H](COc3ccccc3)C2)c1 ZINC000093364783 218220056 /nfs/dbraw/zinc/22/00/56/218220056.db2.gz ANHHOUVGIAVLBT-CQSZACIVSA-N 1 1 330.453 3.138 40 0 EGABMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)C3=COCCC3)n2)C1 ZINC000095393240 218324909 /nfs/dbraw/zinc/32/49/09/218324909.db2.gz ZKYXDXZZKKBUTQ-STQMWFEESA-N 1 1 335.473 3.254 40 0 EGABMO CC(C)Oc1ncccc1C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000095420389 218360581 /nfs/dbraw/zinc/36/05/81/218360581.db2.gz IDBFDOIBLCBLPC-PSLXWICFSA-N 1 1 332.469 3.457 40 0 EGABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000072227781 257686510 /nfs/dbraw/zinc/68/65/10/257686510.db2.gz CJJZHUWIUZMGDX-CABCVRRESA-N 1 1 337.206 3.417 40 0 EGABMO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CCC[C@H](C)C3)ccc21 ZINC000036741214 132392975 /nfs/dbraw/zinc/39/29/75/132392975.db2.gz OPSKSEGKNBSNDR-JXFKEZNVSA-N 1 1 344.499 3.387 40 0 EGABMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236388 302028133 /nfs/dbraw/zinc/02/81/33/302028133.db2.gz PBOMTKLBHCYHIV-SIKLNZKXSA-N 1 1 349.478 3.418 40 0 EGABMO COc1cccc([C@@H]2[C@H](NC(=O)N(C)C(C)C)CC[N@H+]2C2CC2)c1 ZINC000097234654 323215222 /nfs/dbraw/zinc/21/52/22/323215222.db2.gz RONXRPOSVLNUOV-QZTJIDSGSA-N 1 1 331.460 3.023 40 0 EGABMO COc1ccc(C[N@@H+](Cc2ccc(C)o2)C[C@H]2CCCO2)cc1O ZINC000012187424 453346666 /nfs/dbraw/zinc/34/66/66/453346666.db2.gz YAOHDYYVTDJYLU-MRXNPFEDSA-N 1 1 331.412 3.483 40 0 EGABMO COc1ccc(C[N@H+](Cc2ccc(C)o2)C[C@H]2CCCO2)cc1O ZINC000012187424 453346680 /nfs/dbraw/zinc/34/66/80/453346680.db2.gz YAOHDYYVTDJYLU-MRXNPFEDSA-N 1 1 331.412 3.483 40 0 EGABMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)C1 ZINC000012239984 453352512 /nfs/dbraw/zinc/35/25/12/453352512.db2.gz VTPOIGCASOIQLF-FOIQADDNSA-N 1 1 342.483 3.141 40 0 EGABMO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000013058812 453443132 /nfs/dbraw/zinc/44/31/32/453443132.db2.gz QPTFNSNVXMQTTI-UHFFFAOYSA-N 1 1 348.830 3.428 40 0 EGABMO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000013058812 453443140 /nfs/dbraw/zinc/44/31/40/453443140.db2.gz QPTFNSNVXMQTTI-UHFFFAOYSA-N 1 1 348.830 3.428 40 0 EGABMO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000014138615 453510688 /nfs/dbraw/zinc/51/06/88/453510688.db2.gz TVLVXPUNKAWTML-RBBKRZOGSA-N 1 1 337.463 3.500 40 0 EGABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@H+](Cc2ccccc2)C1 ZINC000015674901 453582041 /nfs/dbraw/zinc/58/20/41/453582041.db2.gz MVSSHDFNUOBJMB-SJORKVTESA-N 1 1 339.370 3.184 40 0 biogenic,in-vitro EGABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@@H+](Cc2ccccc2)C1 ZINC000015674901 453582045 /nfs/dbraw/zinc/58/20/45/453582045.db2.gz MVSSHDFNUOBJMB-SJORKVTESA-N 1 1 339.370 3.184 40 0 biogenic,in-vitro EGABMO Fc1ccccc1C[N@H+]1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1 ZINC000019349481 453656453 /nfs/dbraw/zinc/65/64/53/453656453.db2.gz GKYZCUXWSKLIEV-AEFFLSMTSA-N 1 1 349.413 3.099 40 0 EGABMO CCOc1ccc(C[N@H+]2CCCC[C@@H]3[C@H]2CCN3C(C)=O)cc1OC ZINC000019712528 453658527 /nfs/dbraw/zinc/65/85/27/453658527.db2.gz YDVOZUVNVDRATQ-QZTJIDSGSA-N 1 1 346.471 3.069 40 0 EGABMO CC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000033015028 453900843 /nfs/dbraw/zinc/90/08/43/453900843.db2.gz KTQITHCLRHQXLD-SFHVURJKSA-N 1 1 347.842 3.414 40 0 EGABMO Cn1cc(C[N@H+]2CCOC[C@H](Oc3ccccc3)C2)c2ccccc21 ZINC000077265843 454082687 /nfs/dbraw/zinc/08/26/87/454082687.db2.gz XQASVHXFWTYIIG-LJQANCHMSA-N 1 1 336.435 3.458 40 0 biogenic,in-vitro EGABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3cccs3)n[nH]2)cc1OCC ZINC000095534585 454229861 /nfs/dbraw/zinc/22/98/61/454229861.db2.gz ZHKPYPTVNZHOGV-OAHLLOKOSA-N 1 1 344.440 3.379 40 0 EGABMO CCOc1cc([C@@H]([NH3+])c2nnc(-c3ccccc3C)[nH]2)ccc1OC ZINC000095534431 454229965 /nfs/dbraw/zinc/22/99/65/454229965.db2.gz NVZNFYUFWKCBIS-QGZVFWFLSA-N 1 1 338.411 3.236 40 0 EGABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3cccs3)n[nH]2)cc1OCC ZINC000095534584 454229991 /nfs/dbraw/zinc/22/99/91/454229991.db2.gz ZHKPYPTVNZHOGV-HNNXBMFYSA-N 1 1 344.440 3.379 40 0 EGABMO Cc1nc(COC[C@@]23CCCO[C@@H]2CC[N@@H+](CC2CC2)C3)cs1 ZINC000096040152 454267136 /nfs/dbraw/zinc/26/71/36/454267136.db2.gz VGKOROHGTRPXKC-MSOLQXFVSA-N 1 1 336.501 3.249 40 0 EGABMO c1csc(C[NH+]2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)n1 ZINC000096047853 454271279 /nfs/dbraw/zinc/27/12/79/454271279.db2.gz QJPPZULQZSDCLD-KRWDZBQOSA-N 1 1 344.480 3.483 40 0 EGABMO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+](Cc1cccs1)C2 ZINC000096048650 454271423 /nfs/dbraw/zinc/27/14/23/454271423.db2.gz DLWKXQMBKZAGIY-IBGZPJMESA-N 1 1 341.480 3.158 40 0 EGABMO Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2=O)c1 ZINC000096050575 454272911 /nfs/dbraw/zinc/27/29/11/454272911.db2.gz SCSSOVHZBFPJDL-NRFANRHFSA-N 1 1 335.451 3.015 40 0 EGABMO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](Cc1ccco1)C2 ZINC000096050609 454272922 /nfs/dbraw/zinc/27/29/22/454272922.db2.gz UEFDSVFJEHKYKE-IBGZPJMESA-N 1 1 328.387 3.043 40 0 EGABMO Cn1cccc1C(=O)N1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC000096051582 454273155 /nfs/dbraw/zinc/27/31/55/454273155.db2.gz IDZPPPUTSFYHGV-SFHVURJKSA-N 1 1 341.455 3.135 40 0 EGABMO CN1CCN(c2ncccc2[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000072216572 454274095 /nfs/dbraw/zinc/27/40/95/454274095.db2.gz BYMDSLYMXAZQPL-HXUWFJFHSA-N 1 1 336.483 3.171 40 0 EGABMO CN1CCN(c2ncccc2[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000072216572 454274098 /nfs/dbraw/zinc/27/40/98/454274098.db2.gz BYMDSLYMXAZQPL-HXUWFJFHSA-N 1 1 336.483 3.171 40 0 EGABMO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](Cc1ccsc1)C2 ZINC000096059933 454277106 /nfs/dbraw/zinc/27/71/06/454277106.db2.gz MYCWZIIUQGDDNT-QGZVFWFLSA-N 1 1 331.485 3.491 40 0 EGABMO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@H+](Cc1ccsc1)C2 ZINC000096059933 454277109 /nfs/dbraw/zinc/27/71/09/454277109.db2.gz MYCWZIIUQGDDNT-QGZVFWFLSA-N 1 1 331.485 3.491 40 0 EGABMO Cc1cccc(CN2CC[C@@]3(CCN(c4cccc(C)[nH+]4)C3)C2=O)c1 ZINC000096063247 454277839 /nfs/dbraw/zinc/27/78/39/454277839.db2.gz LYQFFMZKGXQBEO-NRFANRHFSA-N 1 1 335.451 3.327 40 0 EGABMO Cc1ncsc1C[N@H+]1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000096107548 454284582 /nfs/dbraw/zinc/28/45/82/454284582.db2.gz AVLDRIPRUFDZDK-YJBOKZPZSA-N 1 1 345.468 3.049 40 0 EGABMO c1[nH+]c([C@H]2CN(Cc3cccnc3)CCO2)c2cccc(C3CC3)n12 ZINC000096155859 454294772 /nfs/dbraw/zinc/29/47/72/454294772.db2.gz RCUJXEYPFFBDNP-LJQANCHMSA-N 1 1 334.423 3.180 40 0 EGABMO c1coc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4ccncc4)CC[C@@H]32)c1 ZINC000096186776 454299579 /nfs/dbraw/zinc/29/95/79/454299579.db2.gz WJYKNNGLCZIABF-QYZOEREBSA-N 1 1 328.412 3.013 40 0 EGABMO Cc1nc(COC[C@@]23CCO[C@@H]2CC[N@@H+](Cc2ccoc2)C3)cs1 ZINC000096206814 454303792 /nfs/dbraw/zinc/30/37/92/454303792.db2.gz FBRWSABEGRWQBD-MSOLQXFVSA-N 1 1 348.468 3.242 40 0 EGABMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)C1 ZINC000096268568 454314625 /nfs/dbraw/zinc/31/46/25/454314625.db2.gz UTYAWJRGYFHCBP-INIZCTEOSA-N 1 1 326.362 3.263 40 0 EGABMO CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c(O)c1 ZINC000090686067 454335531 /nfs/dbraw/zinc/33/55/31/454335531.db2.gz YROCVBBXKXSISH-CRAIPNDOSA-N 1 1 347.503 3.041 40 0 EGABMO CCc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000096432955 454343708 /nfs/dbraw/zinc/34/37/08/454343708.db2.gz AZVYVHZIFMTEEM-KRWDZBQOSA-N 1 1 326.440 3.436 40 0 EGABMO C[N@@H+](CC(=O)NCc1cccnc1)C1c2ccccc2-c2ccccc21 ZINC000096448430 454354397 /nfs/dbraw/zinc/35/43/97/454354397.db2.gz VFXWBQCJZNCVPO-UHFFFAOYSA-N 1 1 343.430 3.400 40 0 EGABMO C[C@H]([NH2+]CC(=O)Nc1ccncc1)c1ccccc1Br ZINC000096490711 454368952 /nfs/dbraw/zinc/36/89/52/454368952.db2.gz RBONAYPGSPSNMF-NSHDSACASA-N 1 1 334.217 3.133 40 0 EGABMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000096943027 454383715 /nfs/dbraw/zinc/38/37/15/454383715.db2.gz ZGVWQSANZLKOFQ-UHFFFAOYSA-N 1 1 333.432 3.035 40 0 EGABMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[N@H+](C)CC1 ZINC000096943027 454383721 /nfs/dbraw/zinc/38/37/21/454383721.db2.gz ZGVWQSANZLKOFQ-UHFFFAOYSA-N 1 1 333.432 3.035 40 0 EGABMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000048309713 454471641 /nfs/dbraw/zinc/47/16/41/454471641.db2.gz ADKQBIMUXYEMLN-YPMHNXCESA-N 1 1 345.270 3.361 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C2CCCC2)C[C@H](C)O1 ZINC000048333584 454475190 /nfs/dbraw/zinc/47/51/90/454475190.db2.gz BJCFSUWECDVDTK-IYBDPMFKSA-N 1 1 330.472 3.102 40 0 EGABMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C2CCCC2)C[C@H](C)O1 ZINC000048333584 454475193 /nfs/dbraw/zinc/47/51/93/454475193.db2.gz BJCFSUWECDVDTK-IYBDPMFKSA-N 1 1 330.472 3.102 40 0 EGABMO c1ccc(OCC2CC2)c(C[NH+]2CCC(CN3CCOCC3)CC2)c1 ZINC000134118470 454505233 /nfs/dbraw/zinc/50/52/33/454505233.db2.gz HODGFCVNVJRSCZ-UHFFFAOYSA-N 1 1 344.499 3.020 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)s1 ZINC000107730866 454771696 /nfs/dbraw/zinc/77/16/96/454771696.db2.gz FUAIWKUUBZCLAW-CRAIPNDOSA-N 1 1 344.484 3.082 40 0 EGABMO Cc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3COCc2ccncc2)c1 ZINC000247939522 455657504 /nfs/dbraw/zinc/65/75/04/455657504.db2.gz UHSFTMIBUBKCPV-HXUWFJFHSA-N 1 1 338.451 3.198 40 0 EGABMO Cc1nc(COC[C@H]2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccoc2)cs1 ZINC000248068200 455677167 /nfs/dbraw/zinc/67/71/67/455677167.db2.gz XOORUXDUYOYWKX-JQHSSLGASA-N 1 1 348.468 3.241 40 0 EGABMO Cc1nc(COC[C@H]2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccoc2)cs1 ZINC000248068200 455677175 /nfs/dbraw/zinc/67/71/75/455677175.db2.gz XOORUXDUYOYWKX-JQHSSLGASA-N 1 1 348.468 3.241 40 0 EGABMO Cc1cccc(C)c1OCC(=O)N1CCC[C@@H]2[N@@H+](C)CCC[C@@]21C ZINC000257285196 455882662 /nfs/dbraw/zinc/88/26/62/455882662.db2.gz PGBNJXOBWALZLH-PXNSSMCTSA-N 1 1 330.472 3.158 40 0 EGABMO CCCCc1nc(C[NH+]2CCC(c3ccnc4ccnn43)CC2)c[nH]1 ZINC000257304967 455886517 /nfs/dbraw/zinc/88/65/17/455886517.db2.gz SNXGQDAOVXCPBR-UHFFFAOYSA-N 1 1 338.459 3.175 40 0 EGABMO CCCCc1ncc(C[NH+]2CCC(c3ccnc4ccnn43)CC2)[nH]1 ZINC000257304967 455886523 /nfs/dbraw/zinc/88/65/23/455886523.db2.gz SNXGQDAOVXCPBR-UHFFFAOYSA-N 1 1 338.459 3.175 40 0 EGABMO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@@H](Cc4ccccn4)C3)c2n1 ZINC000257305095 455886935 /nfs/dbraw/zinc/88/69/35/455886935.db2.gz SOKROGMFSGKATC-KRWDZBQOSA-N 1 1 335.455 3.196 40 0 EGABMO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@@H+](Cc3cnccn3)C2)n1 ZINC000257315820 455890935 /nfs/dbraw/zinc/89/09/35/455890935.db2.gz VCXFDIXJURHUBE-INIZCTEOSA-N 1 1 349.438 3.208 40 0 EGABMO Cc1noc(C)c1-c1cccc(C2CC[NH+](Cc3c[nH]cn3)CC2)n1 ZINC000257324899 455892376 /nfs/dbraw/zinc/89/23/76/455892376.db2.gz WQQVOCNAZQQPEF-UHFFFAOYSA-N 1 1 337.427 3.456 40 0 EGABMO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2F)nc1 ZINC000257336696 455894631 /nfs/dbraw/zinc/89/46/31/455894631.db2.gz YPQDJRNZNYWHOB-IBGZPJMESA-N 1 1 327.403 3.194 40 0 EGABMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2F)nc1 ZINC000257336696 455894633 /nfs/dbraw/zinc/89/46/33/455894633.db2.gz YPQDJRNZNYWHOB-IBGZPJMESA-N 1 1 327.403 3.194 40 0 EGABMO CNc1ncccc1C[N@@H+]1C[C@@H]2[C@H](Oc3cccnc3C)CC[C@@H]2C1 ZINC000257343221 455896350 /nfs/dbraw/zinc/89/63/50/455896350.db2.gz ZRYRNJFOSAQWJP-HHXXYDBFSA-N 1 1 338.455 3.116 40 0 EGABMO CN1CC[N@@H+](C)Cc2ccc(NC(=O)C3CCC(F)(F)CC3)cc21 ZINC000195579308 455988733 /nfs/dbraw/zinc/98/87/33/455988733.db2.gz JQEYQAYBEPSFCJ-UHFFFAOYSA-N 1 1 337.414 3.332 40 0 EGABMO CCCN(C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000272565536 455995555 /nfs/dbraw/zinc/99/55/55/455995555.db2.gz SPZDANOFECWWNF-WMZOPIPTSA-N 1 1 329.488 3.481 40 0 EGABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1cccc(Cl)c1)C2 ZINC000225493469 456087059 /nfs/dbraw/zinc/08/70/59/456087059.db2.gz JTRGKEIYMJGFRK-SFHVURJKSA-N 1 1 345.874 3.246 40 0 biogenic,in-vitro EGABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000225493469 456087063 /nfs/dbraw/zinc/08/70/63/456087063.db2.gz JTRGKEIYMJGFRK-SFHVURJKSA-N 1 1 345.874 3.246 40 0 biogenic,in-vitro EGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(OC)nc1 ZINC000225585144 456094682 /nfs/dbraw/zinc/09/46/82/456094682.db2.gz NTQGLAJULMFWNT-OAHLLOKOSA-N 1 1 336.505 3.031 40 0 EGABMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000230307198 456135862 /nfs/dbraw/zinc/13/58/62/456135862.db2.gz CFERQOTZURSPBJ-PBHICJAKSA-N 1 1 337.423 3.265 40 0 EGABMO Cn1nccc1-c1csc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000585090709 459821842 /nfs/dbraw/zinc/82/18/42/459821842.db2.gz XNQQWOQQWOAQTC-KRWDZBQOSA-N 1 1 340.452 3.117 40 0 EGABMO Cn1nccc1-c1csc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000585090709 459821849 /nfs/dbraw/zinc/82/18/49/459821849.db2.gz XNQQWOQQWOAQTC-KRWDZBQOSA-N 1 1 340.452 3.117 40 0 EGABMO C[N@@H+]1CC[C@H](COCc2ccncc2)CC12CN(CC1CCCC1)C2 ZINC000585103623 459824309 /nfs/dbraw/zinc/82/43/09/459824309.db2.gz YLXMRHRRDQQHTL-FQEVSTJZSA-N 1 1 343.515 3.185 40 0 EGABMO C[N@H+]1CC[C@H](COCc2ccncc2)CC12CN(CC1CCCC1)C2 ZINC000585103623 459824310 /nfs/dbraw/zinc/82/43/10/459824310.db2.gz YLXMRHRRDQQHTL-FQEVSTJZSA-N 1 1 343.515 3.185 40 0 EGABMO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](Oc2ncccc2F)CS3)n1 ZINC000585105171 459825211 /nfs/dbraw/zinc/82/52/11/459825211.db2.gz PNKJSICOGPPCTF-OAHLLOKOSA-N 1 1 345.443 3.063 40 0 EGABMO O=C(c1cc2ccccc2o1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575605364 459979973 /nfs/dbraw/zinc/97/99/73/459979973.db2.gz DRGXTHOKHBJNKN-UHFFFAOYSA-N 1 1 344.480 3.476 40 0 EGABMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(Cc3ccccc3)CCC1)C2 ZINC000615610934 460358205 /nfs/dbraw/zinc/35/82/05/460358205.db2.gz DGBJDVLDQFWDDM-HXUWFJFHSA-N 1 1 326.484 3.344 40 0 EGABMO CC(C)c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@H+]3C)n(C)n1 ZINC000257202815 535351045 /nfs/dbraw/zinc/35/10/45/535351045.db2.gz ANNPOAXWSHTXTQ-HKUYNNGSSA-N 1 1 332.492 3.023 40 0 EGABMO Cc1[nH]c2ccccc2c1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000053265690 214174320 /nfs/dbraw/zinc/17/43/20/214174320.db2.gz HOVBZQDJFNNUMK-UHFFFAOYSA-N 1 1 339.464 3.326 40 0 EGABMO Cc1[nH]c2ccccc2c1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000053265690 214174322 /nfs/dbraw/zinc/17/43/22/214174322.db2.gz HOVBZQDJFNNUMK-UHFFFAOYSA-N 1 1 339.464 3.326 40 0 EGABMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000054227378 214226397 /nfs/dbraw/zinc/22/63/97/214226397.db2.gz DNFWKBCUWWXBNC-QGZVFWFLSA-N 1 1 336.435 3.132 40 0 EGABMO CCOc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CC1 ZINC000004388946 210186539 /nfs/dbraw/zinc/18/65/39/210186539.db2.gz FORQKQOWBXTKAS-ZXFUBFMLSA-N 1 1 328.456 3.363 40 0 EGABMO Cc1nnc(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)n1C ZINC000178305813 232131970 /nfs/dbraw/zinc/13/19/70/232131970.db2.gz LXSFTDIJGKVYIC-SFHVURJKSA-N 1 1 342.393 3.475 40 0 EGABMO CCOc1ccc(/C=C/C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000040108043 213267241 /nfs/dbraw/zinc/26/72/41/213267241.db2.gz FRFZDVQIRQFWMO-GYPZGHTGSA-N 1 1 330.472 3.335 40 0 EGABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC(c2ccncc2)CC1 ZINC000072346593 216159583 /nfs/dbraw/zinc/15/95/83/216159583.db2.gz MHSYEDURXFCKNY-UHFFFAOYSA-N 1 1 326.444 3.198 40 0 EGABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-n3ccnc3)C2)cc1 ZINC000072350501 216162393 /nfs/dbraw/zinc/16/23/93/216162393.db2.gz XVUSYDGHMPNZFY-MRXNPFEDSA-N 1 1 337.402 3.181 40 0 EGABMO O=c1[nH]c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)nc2ccccc21 ZINC000072867341 216322067 /nfs/dbraw/zinc/32/20/67/216322067.db2.gz HSCKKUPTCVRQFB-LPHOPBHVSA-N 1 1 349.434 3.011 40 0 EGABMO O=c1[nH]c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)nc2ccccc21 ZINC000072867341 216322070 /nfs/dbraw/zinc/32/20/70/216322070.db2.gz HSCKKUPTCVRQFB-LPHOPBHVSA-N 1 1 349.434 3.011 40 0 EGABMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccncc3F)cc2)C1 ZINC000073303553 216375566 /nfs/dbraw/zinc/37/55/66/216375566.db2.gz LDNACMOLVHANQH-CQSZACIVSA-N 1 1 343.402 3.194 40 0 EGABMO Cc1nccc(C[C@H]2COCC[N@@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000257217863 244172690 /nfs/dbraw/zinc/17/26/90/244172690.db2.gz DAXMYCCZZKTXTQ-MRXNPFEDSA-N 1 1 331.847 3.130 40 0 EGABMO Cc1c[nH]c(-c2cnc([C@@H]3CCC[N@@H+]3Cc3scnc3C)cn2)n1 ZINC000257218659 244174743 /nfs/dbraw/zinc/17/47/43/244174743.db2.gz DDZYZKRCWWAISN-HNNXBMFYSA-N 1 1 340.456 3.277 40 0 EGABMO Cc1c[nH]c(-c2cnc([C@@H]3CCC[N@H+]3Cc3scnc3C)cn2)n1 ZINC000257218659 244174746 /nfs/dbraw/zinc/17/47/46/244174746.db2.gz DDZYZKRCWWAISN-HNNXBMFYSA-N 1 1 340.456 3.277 40 0 EGABMO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)nc1 ZINC000257207510 244139016 /nfs/dbraw/zinc/13/90/16/244139016.db2.gz BIBWWADLDUDQPV-MRXNPFEDSA-N 1 1 337.427 3.456 40 0 EGABMO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)nc1 ZINC000257207510 244139024 /nfs/dbraw/zinc/13/90/24/244139024.db2.gz BIBWWADLDUDQPV-MRXNPFEDSA-N 1 1 337.427 3.456 40 0 EGABMO c1csc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)n1 ZINC000257208730 244142749 /nfs/dbraw/zinc/14/27/49/244142749.db2.gz BNKIHVZCGDLHQA-HKUYNNGSSA-N 1 1 344.480 3.483 40 0 EGABMO c1csc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)n1 ZINC000257208730 244142754 /nfs/dbraw/zinc/14/27/54/244142754.db2.gz BNKIHVZCGDLHQA-HKUYNNGSSA-N 1 1 344.480 3.483 40 0 EGABMO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2)n1 ZINC000257219107 244178928 /nfs/dbraw/zinc/17/89/28/244178928.db2.gz DFPFQGKCUCVRHZ-IBGZPJMESA-N 1 1 345.393 3.333 40 0 EGABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2)n1 ZINC000257219107 244178932 /nfs/dbraw/zinc/17/89/32/244178932.db2.gz DFPFQGKCUCVRHZ-IBGZPJMESA-N 1 1 345.393 3.333 40 0 EGABMO Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3ccc4[nH]cnc4c3)C2)[nH+]1 ZINC000257241070 244245968 /nfs/dbraw/zinc/24/59/68/244245968.db2.gz HWLKEPBTQGSFCE-MRXNPFEDSA-N 1 1 349.438 3.007 40 0 EGABMO Fc1ccccc1CNc1[nH]nc2nc(C3CC[NH2+]CC3)ccc21 ZINC000257247145 244261268 /nfs/dbraw/zinc/26/12/68/244261268.db2.gz IXRXFWFKRSEATL-UHFFFAOYSA-N 1 1 325.391 3.176 40 0 EGABMO Cn1cc(C[N@H+]2CCC[C@H](c3ccnc(Nc4ccccn4)c3)C2)cn1 ZINC000257255975 244282518 /nfs/dbraw/zinc/28/25/18/244282518.db2.gz KJPXOVFGRBSBIP-SFHVURJKSA-N 1 1 348.454 3.333 40 0 EGABMO COc1cccc(C[NH+]2CC3(C2)CO[C@H](Cc2cccnc2)C3)c1F ZINC000257270173 244374499 /nfs/dbraw/zinc/37/44/99/244374499.db2.gz MTBGIIAPMFAOBY-QGZVFWFLSA-N 1 1 342.414 3.063 40 0 EGABMO O=C1C[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 ZINC000019889543 212079656 /nfs/dbraw/zinc/07/96/56/212079656.db2.gz TUYHHMRBTHFXOJ-OAHLLOKOSA-N 1 1 349.217 3.415 40 0 EGABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000019575274 212045827 /nfs/dbraw/zinc/04/58/27/212045827.db2.gz XNIGATOWDBZRCB-QLFBSQMISA-N 1 1 346.858 3.239 40 0 EGABMO O=c1oc2ccc(Cl)cc2n1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019401716 212025929 /nfs/dbraw/zinc/02/59/29/212025929.db2.gz NSFGOJPOJJBCRZ-HNNXBMFYSA-N 1 1 343.814 3.480 40 0 EGABMO O=c1oc2ccc(Cl)cc2n1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019401716 212025930 /nfs/dbraw/zinc/02/59/30/212025930.db2.gz NSFGOJPOJJBCRZ-HNNXBMFYSA-N 1 1 343.814 3.480 40 0 EGABMO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000079090636 217190349 /nfs/dbraw/zinc/19/03/49/217190349.db2.gz WEECBVSBPMXEMA-CQSZACIVSA-N 1 1 335.411 3.145 40 0 EGABMO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000079090636 217190352 /nfs/dbraw/zinc/19/03/52/217190352.db2.gz WEECBVSBPMXEMA-CQSZACIVSA-N 1 1 335.411 3.145 40 0 EGABMO CN(C(=O)CCc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000080504341 217310590 /nfs/dbraw/zinc/31/05/90/217310590.db2.gz WFSGJFLJXMFTRS-HXUWFJFHSA-N 1 1 337.467 3.137 40 0 EGABMO CCCc1ncc(C[N@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012242197 211330388 /nfs/dbraw/zinc/33/03/88/211330388.db2.gz BZFBRXQMFYRJOP-FQEVSTJZSA-N 1 1 343.446 3.442 40 0 EGABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128566 211299554 /nfs/dbraw/zinc/29/95/54/211299554.db2.gz KFOLDJXAPYCOIP-RBUKOAKNSA-N 1 1 334.423 3.197 40 0 EGABMO COC[C@H]1CCC[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093337331 218215898 /nfs/dbraw/zinc/21/58/98/218215898.db2.gz LVCAMNIOPOWGCM-IBGZPJMESA-N 1 1 327.472 3.407 40 0 EGABMO CN(C(=O)C[N@@H+](C)C1CC1)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000095405836 218341374 /nfs/dbraw/zinc/34/13/74/218341374.db2.gz IAABORMMHDJPFU-IBGZPJMESA-N 1 1 345.393 3.002 40 0 EGABMO Cc1sc(N2CC[NH+](C)CC2)nc1-c1ccc(OC(F)F)cc1 ZINC000007845203 210855421 /nfs/dbraw/zinc/85/54/21/210855421.db2.gz UVDDUHYWQSKDCE-UHFFFAOYSA-N 1 1 339.411 3.472 40 0 EGABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000072227320 257686186 /nfs/dbraw/zinc/68/61/86/257686186.db2.gz UFTCAVAACXWUNJ-HZPDHXFCSA-N 1 1 345.240 3.427 40 0 EGABMO C[C@@H](c1cccnc1)N1CC[NH+](C[C@H]2OCCc3ccccc32)CC1 ZINC000096424298 274279208 /nfs/dbraw/zinc/27/92/08/274279208.db2.gz NZSOVVZNEIOMTQ-LAUBAEHRSA-N 1 1 337.467 3.074 40 0 EGABMO O[C@H](C[N@H+]1CCC[C@](O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000072343226 275057014 /nfs/dbraw/zinc/05/70/14/275057014.db2.gz FEYIPQUQFKKAGF-WOJBJXKFSA-N 1 1 347.405 3.372 40 0 EGABMO C[N@H+]1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCCN2C(=O)c1ccno1 ZINC000257221376 277195458 /nfs/dbraw/zinc/19/54/58/277195458.db2.gz DOTYYYTYBWLKNB-LNLFQRSKSA-N 1 1 339.439 3.157 40 0 EGABMO CC(C)CC(=O)N[C@H]1CC2(CC[NH+](CCF)CC2)Oc2ccccc21 ZINC000096242744 277344866 /nfs/dbraw/zinc/34/48/66/277344866.db2.gz XZOWQDPSQYIVHO-KRWDZBQOSA-N 1 1 348.462 3.477 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCN1c1nc2ccccc2o1 ZINC000535086071 314026029 /nfs/dbraw/zinc/02/60/29/314026029.db2.gz XVCWORQDXZUMCO-CQSZACIVSA-N 1 1 347.422 3.415 40 0 EGABMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3F)[C@H](C)C2)s1 ZINC000239367405 455261692 /nfs/dbraw/zinc/26/16/92/455261692.db2.gz AIOPLLZVLIPHGT-SJKOYZFVSA-N 1 1 347.459 3.231 40 0 EGABMO COc1ccccc1[C@@H](CNC(=S)Nc1ccccc1F)[NH+](C)C ZINC000007580311 453087008 /nfs/dbraw/zinc/08/70/08/453087008.db2.gz DJPDOBICTXAXNS-MRXNPFEDSA-N 1 1 347.459 3.424 40 0 EGABMO COc1ccc(C[N@H+](C)CC(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000007653117 453100159 /nfs/dbraw/zinc/10/01/59/453100159.db2.gz XZPOFNHEFRRXKM-QGZVFWFLSA-N 1 1 340.467 3.265 40 0 EGABMO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000007653117 453100165 /nfs/dbraw/zinc/10/01/65/453100165.db2.gz XZPOFNHEFRRXKM-QGZVFWFLSA-N 1 1 340.467 3.265 40 0 EGABMO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H]3c3cccs3)nc12 ZINC000007989573 453147066 /nfs/dbraw/zinc/14/70/66/453147066.db2.gz FVQBSTGKTIPAER-HNNXBMFYSA-N 1 1 325.437 3.402 40 0 EGABMO CC[C@]12C=CC[N@@H+]3CC[C@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000014719345 453542274 /nfs/dbraw/zinc/54/22/74/453542274.db2.gz FNGGIPWAZSFKCN-PCCBWWKXSA-N 1 1 336.435 3.221 40 0 biogenic,in-vitro EGABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4ccccc4F)C3)cc(N)n2n1 ZINC000019129325 453654519 /nfs/dbraw/zinc/65/45/19/453654519.db2.gz BLVQRZJTILOHOJ-HNNXBMFYSA-N 1 1 339.418 3.139 40 0 EGABMO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CC[NH+](CC)CC1 ZINC000030757246 453837886 /nfs/dbraw/zinc/83/78/86/453837886.db2.gz PRFQGSNQXUYYCN-LJQANCHMSA-N 1 1 326.440 3.161 40 0 EGABMO CN1CC[C@@]2([C@@]34CC[N@H+](C)[C@H]3Nc3ccccc34)c3ccccc3N[C@H]12 ZINC000033830152 453917167 /nfs/dbraw/zinc/91/71/67/453917167.db2.gz HOYXPMHLHJOGHD-GXRSIYKFSA-N 1 1 346.478 3.037 40 0 biogenic,in-vitro EGABMO CN1CC[C@@]2([C@@]34CC[N@@H+](C)[C@H]3Nc3ccccc34)c3ccccc3N[C@H]12 ZINC000033830152 453917171 /nfs/dbraw/zinc/91/71/71/453917171.db2.gz HOYXPMHLHJOGHD-GXRSIYKFSA-N 1 1 346.478 3.037 40 0 biogenic,in-vitro EGABMO COc1ccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1S(C)(=O)=O ZINC000075838102 453930463 /nfs/dbraw/zinc/93/04/63/453930463.db2.gz FMVVAXJPDSBDJY-BMFZPTHFSA-N 1 1 337.485 3.252 40 0 EGABMO COc1ccc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1S(C)(=O)=O ZINC000075838102 453930465 /nfs/dbraw/zinc/93/04/65/453930465.db2.gz FMVVAXJPDSBDJY-BMFZPTHFSA-N 1 1 337.485 3.252 40 0 EGABMO CCc1ncc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)cn1 ZINC000057811120 454148265 /nfs/dbraw/zinc/14/82/65/454148265.db2.gz LMJZWCKUEHSLCA-SFHVURJKSA-N 1 1 329.419 3.359 40 0 EGABMO CCc1ncc(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)cn1 ZINC000057811120 454148266 /nfs/dbraw/zinc/14/82/66/454148266.db2.gz LMJZWCKUEHSLCA-SFHVURJKSA-N 1 1 329.419 3.359 40 0 EGABMO COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000096039142 454265443 /nfs/dbraw/zinc/26/54/43/454265443.db2.gz CIKOGMGUTKCFOG-PMACEKPBSA-N 1 1 326.440 3.252 40 0 EGABMO Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2=O)c1 ZINC000096050568 454272304 /nfs/dbraw/zinc/27/23/04/454272304.db2.gz MBISJWLHZXUBSE-LJQANCHMSA-N 1 1 341.480 3.076 40 0 EGABMO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1ccoc1)C2 ZINC000096050614 454272842 /nfs/dbraw/zinc/27/28/42/454272842.db2.gz KLQBEMKVNCVWMV-LJQANCHMSA-N 1 1 328.387 3.043 40 0 EGABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)N1CCCC1)CC2 ZINC000096051608 454272882 /nfs/dbraw/zinc/27/28/82/454272882.db2.gz OPKYCPYQTSFPOR-QGZVFWFLSA-N 1 1 331.460 3.172 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)co1 ZINC000096057064 454274048 /nfs/dbraw/zinc/27/40/48/454274048.db2.gz DLQBAGIQYTWPDK-IEBWSBKVSA-N 1 1 328.412 3.125 40 0 EGABMO COc1cccc([C@H]2[C@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)c1 ZINC000072227515 454274792 /nfs/dbraw/zinc/27/47/92/454274792.db2.gz LKQZRPIPUCPULM-GJZGRUSLSA-N 1 1 336.313 3.129 40 0 EGABMO Cc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000072227270 454275067 /nfs/dbraw/zinc/27/50/67/454275067.db2.gz WMQMBOIESGTOOL-LSDHHAIUSA-N 1 1 331.213 3.173 40 0 EGABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1C ZINC000072227847 454276717 /nfs/dbraw/zinc/27/67/17/454276717.db2.gz ADIYVTWVBNPUSW-HOTGVXAUSA-N 1 1 345.240 3.481 40 0 EGABMO C[C@H]1C[N@@H+](Cc2cccs2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000096061277 454276808 /nfs/dbraw/zinc/27/68/08/454276808.db2.gz XAOWZDGOHRQSMX-UCLAIMLFSA-N 1 1 348.512 3.034 40 0 EGABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccsc3)C[C@H]12 ZINC000096058429 454277018 /nfs/dbraw/zinc/27/70/18/454277018.db2.gz XYEYHYGWKWWJAF-HKUYNNGSSA-N 1 1 326.465 3.236 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC000096077396 454279666 /nfs/dbraw/zinc/27/96/66/454279666.db2.gz ARYFIXFPDLVYBQ-FQEVSTJZSA-N 1 1 339.439 3.229 40 0 EGABMO Cc1ncsc1C[N@H+]1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000096107374 454285066 /nfs/dbraw/zinc/28/50/66/454285066.db2.gz AVLDRIPRUFDZDK-QAPCUYQASA-N 1 1 345.468 3.049 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](Cc3nccs3)CC[C@@H]2OC)cc1 ZINC000096110548 454287391 /nfs/dbraw/zinc/28/73/91/454287391.db2.gz OUZOPJAAKZHYDM-RDJZCZTQSA-N 1 1 332.469 3.231 40 0 EGABMO Cc1nc(C[N@H+]2CCC3(C2)CCN(c2ncc(C)cn2)CC3)cs1 ZINC000096157432 454294306 /nfs/dbraw/zinc/29/43/06/454294306.db2.gz MUMYQWPVNKGEPP-UHFFFAOYSA-N 1 1 343.500 3.042 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CC(F)(F)F)C3)C2)o1 ZINC000096215956 454305426 /nfs/dbraw/zinc/30/54/26/454305426.db2.gz YXBWOEGYLBSIFD-MRXNPFEDSA-N 1 1 344.377 3.355 40 0 EGABMO Fc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(c2nncs2)C3)cc1 ZINC000096217163 454307825 /nfs/dbraw/zinc/30/78/25/454307825.db2.gz KTEWRSQAFFUMLU-KRWDZBQOSA-N 1 1 332.448 3.170 40 0 EGABMO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4cccnc4)C3)CC2=O)s1 ZINC000096239336 454310637 /nfs/dbraw/zinc/31/06/37/454310637.db2.gz WYTBAGAJVPJZCV-GOSISDBHSA-N 1 1 327.453 3.081 40 0 EGABMO Cc1nc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccccc4)C3)C2)cs1 ZINC000096238418 454310950 /nfs/dbraw/zinc/31/09/50/454310950.db2.gz MVQBIXCSXYGEIH-GOSISDBHSA-N 1 1 327.453 3.081 40 0 EGABMO Cc1nc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccccc4)C3)C2)cs1 ZINC000096238418 454310953 /nfs/dbraw/zinc/31/09/53/454310953.db2.gz MVQBIXCSXYGEIH-GOSISDBHSA-N 1 1 327.453 3.081 40 0 EGABMO c1csc(C[N@@H+]2CCCn3cnc(COc4cccnc4)c3C2)c1 ZINC000096259979 454314216 /nfs/dbraw/zinc/31/42/16/454314216.db2.gz MJTQRVYXFMZUEO-UHFFFAOYSA-N 1 1 340.452 3.325 40 0 EGABMO c1csc(C[N@H+]2CCCn3cnc(COc4cccnc4)c3C2)c1 ZINC000096259979 454314220 /nfs/dbraw/zinc/31/42/20/454314220.db2.gz MJTQRVYXFMZUEO-UHFFFAOYSA-N 1 1 340.452 3.325 40 0 EGABMO COc1ccc(Cl)cc1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000060845134 454315684 /nfs/dbraw/zinc/31/56/84/454315684.db2.gz SORIESODVSKWTA-OKILXGFUSA-N 1 1 338.879 3.446 40 0 EGABMO CCN(C(=O)Cc1cccnc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000096410051 454328255 /nfs/dbraw/zinc/32/82/55/454328255.db2.gz SFLZGBKELHZEKC-FXAWDEMLSA-N 1 1 337.467 3.308 40 0 EGABMO Cc1nn(C(C)C)c(C)c1NC(=O)NCCCCn1cc[nH+]c1C ZINC000096431275 454342366 /nfs/dbraw/zinc/34/23/66/454342366.db2.gz ISQKBWJGALJIDE-UHFFFAOYSA-N 1 1 332.452 3.188 40 0 EGABMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)n1C ZINC000096441182 454350915 /nfs/dbraw/zinc/35/09/15/454350915.db2.gz YSGRKJFYMWSYFT-IBGZPJMESA-N 1 1 339.483 3.318 40 0 EGABMO O=C(CC[C@H]1CCCOC1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000096449530 454355072 /nfs/dbraw/zinc/35/50/72/454355072.db2.gz ZZQOGSAQSIVZRO-QGZVFWFLSA-N 1 1 348.462 3.067 40 0 EGABMO O=C(CC[C@H]1CCCOC1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000096449530 454355079 /nfs/dbraw/zinc/35/50/79/454355079.db2.gz ZZQOGSAQSIVZRO-QGZVFWFLSA-N 1 1 348.462 3.067 40 0 EGABMO C[C@H]([NH2+]CC(=O)NCc1ccccn1)c1cccc(Cl)c1Cl ZINC000096491899 454369868 /nfs/dbraw/zinc/36/98/68/454369868.db2.gz KLBPEWMVHAJIHK-NSHDSACASA-N 1 1 338.238 3.355 40 0 EGABMO CCc1c(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cnn1CC(C)C ZINC000096499596 454371008 /nfs/dbraw/zinc/37/10/08/454371008.db2.gz PXAHANOUXZAAQS-QAPCUYQASA-N 1 1 347.507 3.050 40 0 EGABMO c1cnc(Oc2ccc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)cc2)cn1 ZINC000093866228 454740843 /nfs/dbraw/zinc/74/08/43/454740843.db2.gz KFTXLPGCJOVMOO-LJQANCHMSA-N 1 1 348.406 3.317 40 0 EGABMO C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246393361 455481741 /nfs/dbraw/zinc/48/17/41/455481741.db2.gz PGQPCSVQHUHEHL-BYCMXARLSA-N 1 1 326.362 3.052 40 0 EGABMO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)C[C@@H]2CC=CCC2)n1 ZINC000247883219 455652383 /nfs/dbraw/zinc/65/23/83/455652383.db2.gz CPLVJSANCGWLTC-MOPGFXCFSA-N 1 1 343.471 3.312 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)o1 ZINC000248115987 455681366 /nfs/dbraw/zinc/68/13/66/455681366.db2.gz SMJXVEQPQVOAOC-MISYRCLQSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)o1 ZINC000248115987 455681370 /nfs/dbraw/zinc/68/13/70/455681370.db2.gz SMJXVEQPQVOAOC-MISYRCLQSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1cc2nc([C@H]3CCC[N@@H+](C[C@@H]4CC=CCC4)C3)cc(N)n2n1 ZINC000248338510 455704921 /nfs/dbraw/zinc/70/49/21/455704921.db2.gz ROFPWHZCLSZMHV-CVEARBPZSA-N 1 1 325.460 3.156 40 0 EGABMO Brc1ccc([C@@H]2CCC[N@H+]2CCC2OCCO2)s1 ZINC000252490921 455811712 /nfs/dbraw/zinc/81/17/12/455811712.db2.gz LEXYFNQEKJYDTK-JTQLQIEISA-N 1 1 332.263 3.411 40 0 EGABMO COc1ccc([C@H]2[C@@H](CNC(=O)C3(SC)CC3)CCC[N@H+]2C)cc1 ZINC000252499962 455815295 /nfs/dbraw/zinc/81/52/95/455815295.db2.gz SJZJRTORYXMECC-WBVHZDCISA-N 1 1 348.512 3.090 40 0 EGABMO COc1ccccc1[C@H](C)C[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000252586149 455823051 /nfs/dbraw/zinc/82/30/51/455823051.db2.gz NUZPKECEMMKQQK-FTEYMNFISA-N 1 1 346.515 3.278 40 0 EGABMO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000253392417 455838212 /nfs/dbraw/zinc/83/82/12/455838212.db2.gz CHKFCAQBEWVRHP-ZIAGYGMSSA-N 1 1 334.489 3.183 40 0 EGABMO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000253392417 455838217 /nfs/dbraw/zinc/83/82/17/455838217.db2.gz CHKFCAQBEWVRHP-ZIAGYGMSSA-N 1 1 334.489 3.183 40 0 EGABMO C[C@@H](C[S@@](C)=O)[N@@H+](C)C1CC(c2ccc(Br)cc2)C1 ZINC000194482732 455848724 /nfs/dbraw/zinc/84/87/24/455848724.db2.gz CJCPVIKUBMXCIW-XXKANDRNSA-N 1 1 344.318 3.394 40 0 EGABMO COc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+]2C2CCOCC2)c1 ZINC000257230960 455880418 /nfs/dbraw/zinc/88/04/18/455880418.db2.gz GEPPEOCXQJQWBV-SFHVURJKSA-N 1 1 327.428 3.401 40 0 EGABMO Cc1nc(C[N@@H+]2CCC[C@H](Cc3cnc(N(C)C)cn3)CC2)cs1 ZINC000257312594 455888847 /nfs/dbraw/zinc/88/88/47/455888847.db2.gz UOSMMRRHNWMMJS-HNNXBMFYSA-N 1 1 345.516 3.152 40 0 EGABMO CN(C)c1nc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)cn2cccc12 ZINC000257311491 455889349 /nfs/dbraw/zinc/88/93/49/455889349.db2.gz UJSGXYSKAJBFKI-KRWDZBQOSA-N 1 1 335.455 3.175 40 0 EGABMO c1ccc(CO[C@H]2CC[N@@H+](Cc3cccnc3)C[C@@]23CCCO3)cc1 ZINC000257315595 455889523 /nfs/dbraw/zinc/88/95/23/455889523.db2.gz VCBUIHJHLMKNAY-SFTDATJTSA-N 1 1 338.451 3.422 40 0 EGABMO CC(=O)N[C@@H]1C[C@H](c2ccc(-n3cc[nH+]c3C)cc2)O[C@@H]2CCC[C@H]21 ZINC000257319104 455890501 /nfs/dbraw/zinc/89/05/01/455890501.db2.gz VQSWSCAZOBBJQL-MTQWCTHYSA-N 1 1 339.439 3.316 40 0 EGABMO CC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)C1 ZINC000225381256 456077860 /nfs/dbraw/zinc/07/78/60/456077860.db2.gz VYIUCDWHFXKMMK-KHYOSLBOSA-N 1 1 335.492 3.203 40 0 EGABMO Cc1[nH+]ccn1CCCCNC(=O)N1CCC=C(c2ccccc2)C1 ZINC000225458736 456084130 /nfs/dbraw/zinc/08/41/30/456084130.db2.gz ZWOASJWBGONKLE-UHFFFAOYSA-N 1 1 338.455 3.471 40 0 EGABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000225586714 456095131 /nfs/dbraw/zinc/09/51/31/456095131.db2.gz CBIBFDFGJREGDU-GFCCVEGCSA-N 1 1 330.350 3.298 40 0 EGABMO CC(C)c1ncc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)s1 ZINC000354153068 457096456 /nfs/dbraw/zinc/09/64/56/457096456.db2.gz GDOVQDGIWDQRMR-KRWDZBQOSA-N 1 1 343.496 3.200 40 0 EGABMO CC(C)c1ncc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)s1 ZINC000354153068 457096458 /nfs/dbraw/zinc/09/64/58/457096458.db2.gz GDOVQDGIWDQRMR-KRWDZBQOSA-N 1 1 343.496 3.200 40 0 EGABMO COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000363521228 457356325 /nfs/dbraw/zinc/35/63/25/457356325.db2.gz YIUSFRMITVPAOT-JQFCIGGWSA-N 1 1 349.450 3.164 40 0 EGABMO CC(=O)c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)o1 ZINC000582165491 459319106 /nfs/dbraw/zinc/31/91/06/459319106.db2.gz GUCZJZPIEYUAIV-HNNXBMFYSA-N 1 1 340.423 3.076 40 0 EGABMO CC(=O)c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)o1 ZINC000582165491 459319111 /nfs/dbraw/zinc/31/91/11/459319111.db2.gz GUCZJZPIEYUAIV-HNNXBMFYSA-N 1 1 340.423 3.076 40 0 EGABMO Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CC[N@H+]3CC2CCCCC2)cs1 ZINC000585109104 459825195 /nfs/dbraw/zinc/82/51/95/459825195.db2.gz VCTDKSOZDABPGG-IRXDYDNUSA-N 1 1 333.501 3.207 40 0 EGABMO Cc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000129660462 533752441 /nfs/dbraw/zinc/75/24/41/533752441.db2.gz SWSJASRWIZTGPB-LPHOPBHVSA-N 1 1 343.496 3.193 40 0 EGABMO COCCn1ccnc1[C@@H]1C[N@@H+](Cc2ccoc2)Cc2ccccc21 ZINC000306130486 547459912 /nfs/dbraw/zinc/45/99/12/547459912.db2.gz JHUASNUICFGCAD-LJQANCHMSA-N 1 1 337.423 3.270 40 0 EGABMO CC[C@H]1CCC[N@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000054174812 214221575 /nfs/dbraw/zinc/22/15/75/214221575.db2.gz QDINEDZTDJZKOO-LBPRGKRZSA-N 1 1 339.365 3.303 40 0 EGABMO CC[C@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000054174812 214221577 /nfs/dbraw/zinc/22/15/77/214221577.db2.gz QDINEDZTDJZKOO-LBPRGKRZSA-N 1 1 339.365 3.303 40 0 EGABMO CCOCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038856808 213227985 /nfs/dbraw/zinc/22/79/85/213227985.db2.gz HNDYLGCGNCGTGA-MRXNPFEDSA-N 1 1 338.879 3.095 40 0 EGABMO c1cc(-c2noc([C@@H]3CCC[N@@H+]3C3CCC3)n2)cc(N2CCCC2)n1 ZINC000035426350 213027347 /nfs/dbraw/zinc/02/73/47/213027347.db2.gz MIPLKJPTQFTNCT-INIZCTEOSA-N 1 1 339.443 3.421 40 0 biogenic,in-vitro EGABMO COc1ccc(CN(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)ccn2)cc1 ZINC000072369352 216175924 /nfs/dbraw/zinc/17/59/24/216175924.db2.gz TVHDQKLPHQGTAU-IBGZPJMESA-N 1 1 339.439 3.129 40 0 EGABMO Cc1ccnc(NC(=O)CCc2cc(C)nc([C@@H]3CCC[N@@H+]3C)c2)c1 ZINC000072366934 216173060 /nfs/dbraw/zinc/17/30/60/216173060.db2.gz ICUSSGWXLYMJLV-SFHVURJKSA-N 1 1 338.455 3.431 40 0 EGABMO c1cncc(Oc2cncc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072384249 216185919 /nfs/dbraw/zinc/18/59/19/216185919.db2.gz SCDQHDODWAWDEJ-OAHLLOKOSA-N 1 1 340.427 3.022 40 0 EGABMO c1ncc(C[N@@H+]2CCC[C@H](Cc3ccc(NC4CCCC4)nn3)C2)[nH]1 ZINC000072387290 216187187 /nfs/dbraw/zinc/18/71/87/216187187.db2.gz CXHMOZCYDRBMBQ-OAHLLOKOSA-N 1 1 340.475 3.009 40 0 EGABMO c1nc(C[N@H+]2CCC[C@H](Cc3ccc(NC4CCCC4)nn3)C2)c[nH]1 ZINC000072387290 216187190 /nfs/dbraw/zinc/18/71/90/216187190.db2.gz CXHMOZCYDRBMBQ-OAHLLOKOSA-N 1 1 340.475 3.009 40 0 EGABMO c1nc(C[N@@H+]2CCC[C@H](Cc3ccc(NC4CCCC4)nn3)C2)c[nH]1 ZINC000072387290 216187193 /nfs/dbraw/zinc/18/71/93/216187193.db2.gz CXHMOZCYDRBMBQ-OAHLLOKOSA-N 1 1 340.475 3.009 40 0 EGABMO Cc1nc(NCc2ccccc2)cc([C@@H]2CC[N@H+]2C2CCOCC2)n1 ZINC000072387475 216186723 /nfs/dbraw/zinc/18/67/23/216186723.db2.gz NIWKKAAGYVUUMD-IBGZPJMESA-N 1 1 338.455 3.323 40 0 EGABMO O=c1[nH]c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)nc2ccccc21 ZINC000072867344 216322720 /nfs/dbraw/zinc/32/27/20/216322720.db2.gz HSCKKUPTCVRQFB-VQIMIIECSA-N 1 1 349.434 3.011 40 0 EGABMO O=c1[nH]c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)nc2ccccc21 ZINC000072867344 216322723 /nfs/dbraw/zinc/32/27/23/216322723.db2.gz HSCKKUPTCVRQFB-VQIMIIECSA-N 1 1 349.434 3.011 40 0 EGABMO c1cc(C[N@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@H]32)cs1 ZINC000253598672 244033045 /nfs/dbraw/zinc/03/30/45/244033045.db2.gz QHWOBKKISRRGJY-BBWFWOEESA-N 1 1 330.453 3.202 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@H]32)cs1 ZINC000253598672 244033053 /nfs/dbraw/zinc/03/30/53/244033053.db2.gz QHWOBKKISRRGJY-BBWFWOEESA-N 1 1 330.453 3.202 40 0 EGABMO Cc1nn(C)c2nc([C@H]3CCC[N@H+](Cc4cscn4)C3)ccc12 ZINC000257203154 244124765 /nfs/dbraw/zinc/12/47/65/244124765.db2.gz AOWREGJRZHRUBM-ZDUSSCGKSA-N 1 1 327.457 3.113 40 0 EGABMO Cc1nn(C)c2nc([C@H]3CCC[N@@H+](Cc4cscn4)C3)ccc12 ZINC000257203154 244124772 /nfs/dbraw/zinc/12/47/72/244124772.db2.gz AOWREGJRZHRUBM-ZDUSSCGKSA-N 1 1 327.457 3.113 40 0 EGABMO Cc1ncc(CN(C)C)c([C@@H]2CCC[N@H+]2CCc2ccc(F)cc2)n1 ZINC000257215395 244163214 /nfs/dbraw/zinc/16/32/14/244163214.db2.gz CPYFTDCSGHUIJD-IBGZPJMESA-N 1 1 342.462 3.365 40 0 EGABMO Cc1ncsc1C[N@H+]1CCC[C@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257222489 244189076 /nfs/dbraw/zinc/18/90/76/244189076.db2.gz DTLWDBDHQUWTSY-ZDUSSCGKSA-N 1 1 340.456 3.011 40 0 EGABMO C[C@]12CC[N@@H+](Cc3ccccn3)[C@H]1CCC(=O)N2Cc1ccccc1 ZINC000257225658 244198310 /nfs/dbraw/zinc/19/83/10/244198310.db2.gz FHFLJPMIORPBRL-FPOVZHCZSA-N 1 1 335.451 3.237 40 0 EGABMO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000257247071 244259893 /nfs/dbraw/zinc/25/98/93/244259893.db2.gz IXGKFPJZXMIPIL-SFHVURJKSA-N 1 1 334.427 3.297 40 0 EGABMO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCC[N@H+]2Cc2cccnc2)n1 ZINC000257247071 244259898 /nfs/dbraw/zinc/25/98/98/244259898.db2.gz IXGKFPJZXMIPIL-SFHVURJKSA-N 1 1 334.427 3.297 40 0 EGABMO CN1CC[N@@H+](CC2CC2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019589674 212048433 /nfs/dbraw/zinc/04/84/33/212048433.db2.gz IBBCURJMQVBINK-FQEVSTJZSA-N 1 1 349.478 3.091 40 0 EGABMO O=C1NC[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3)C2)Oc2ccccc21 ZINC000019371936 212022604 /nfs/dbraw/zinc/02/26/04/212022604.db2.gz GGNONQJFXASSTJ-PXNSSMCTSA-N 1 1 336.435 3.090 40 0 EGABMO OCC[N@H+](Cc1cccn1-c1ccc(F)cc1F)Cc1cccnc1 ZINC000019338684 212018639 /nfs/dbraw/zinc/01/86/39/212018639.db2.gz HUJTTWJHXJCWGD-UHFFFAOYSA-N 1 1 343.377 3.145 40 0 EGABMO OCC[N@@H+](Cc1cccn1-c1ccc(F)cc1F)Cc1cccnc1 ZINC000019338684 212018641 /nfs/dbraw/zinc/01/86/41/212018641.db2.gz HUJTTWJHXJCWGD-UHFFFAOYSA-N 1 1 343.377 3.145 40 0 EGABMO Cc1cnc(-c2nc([C@H]3CCC[N@@H+](Cc4cccs4)C3)no2)cn1 ZINC000019239035 212008536 /nfs/dbraw/zinc/00/85/36/212008536.db2.gz HOGJHMAFALPUKW-ZDUSSCGKSA-N 1 1 341.440 3.276 40 0 EGABMO S=C(NCc1ccc(C[NH+]2CCOCC2)cc1)Nc1ccccc1 ZINC000018165437 211985017 /nfs/dbraw/zinc/98/50/17/211985017.db2.gz KGAKDSIBOYLFPP-UHFFFAOYSA-N 1 1 341.480 3.005 40 0 EGABMO CCO[C@@H]1CCCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000079336496 217211016 /nfs/dbraw/zinc/21/10/16/217211016.db2.gz BMRRNBUDNBKPHC-LJQANCHMSA-N 1 1 330.472 3.312 40 0 EGABMO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cn1nc3c(cc1=O)CCCCC3)C2 ZINC000079484242 217231140 /nfs/dbraw/zinc/23/11/40/217231140.db2.gz DZWMAWMXAMFXIX-OXQOHEQNSA-N 1 1 329.488 3.370 40 0 EGABMO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cn1nc3c(cc1=O)CCCCC3)C2 ZINC000079484242 217231143 /nfs/dbraw/zinc/23/11/43/217231143.db2.gz DZWMAWMXAMFXIX-OXQOHEQNSA-N 1 1 329.488 3.370 40 0 EGABMO COc1ccccc1/C=C\C[N@H+]1CC[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000012337548 211351324 /nfs/dbraw/zinc/35/13/24/211351324.db2.gz FXLNACANJOYSPP-WRLNGNIRSA-N 1 1 325.412 3.002 40 0 EGABMO COc1ccc([C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128528 211298896 /nfs/dbraw/zinc/29/88/96/211298896.db2.gz CKWOIKBUUVANKW-RBUKOAKNSA-N 1 1 334.423 3.197 40 0 EGABMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3cc[nH+]cc3Cl)C2)nc1 ZINC000267400903 251022716 /nfs/dbraw/zinc/02/27/16/251022716.db2.gz PMTMAFZCZGFWMV-CYBMUJFWSA-N 1 1 330.819 3.294 40 0 EGABMO C[C@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1cccc(F)c1F ZINC000097234314 219002483 /nfs/dbraw/zinc/00/24/83/219002483.db2.gz HWQMXLNTAGFVEC-XEZPLFJOSA-N 1 1 337.414 3.152 40 0 EGABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1cnn(C)c1C ZINC000036741272 285283410 /nfs/dbraw/zinc/28/34/10/285283410.db2.gz FPWHNWCNJXNMLH-KRWDZBQOSA-N 1 1 332.517 3.277 40 0 EGABMO Cc1nc(CC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cs1 ZINC000119075738 221237510 /nfs/dbraw/zinc/23/75/10/221237510.db2.gz SCWJKNXQVQQECI-OAHLLOKOSA-N 1 1 345.516 3.192 40 0 EGABMO CC(C)[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000015674170 453582213 /nfs/dbraw/zinc/58/22/13/453582213.db2.gz BQECXMQRUUBSRC-OLZOCXBDSA-N 1 1 341.333 3.272 40 0 biogenic,in-vitro EGABMO CC(C)[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000015674170 453582218 /nfs/dbraw/zinc/58/22/18/453582218.db2.gz BQECXMQRUUBSRC-OLZOCXBDSA-N 1 1 341.333 3.272 40 0 biogenic,in-vitro EGABMO O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000015935847 453589708 /nfs/dbraw/zinc/58/97/08/453589708.db2.gz QHWSUDQDQNIREM-UHFFFAOYSA-N 1 1 348.874 3.247 40 0 EGABMO Clc1ccc(C2(CN3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000019332785 453656355 /nfs/dbraw/zinc/65/63/55/453656355.db2.gz QAUAUMFDHINSIC-GOSISDBHSA-N 1 1 334.891 3.168 40 0 EGABMO c1cc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)cs1 ZINC000096041781 454266536 /nfs/dbraw/zinc/26/65/36/454266536.db2.gz MVNVOPJIEXMGQY-RCCFBDPRSA-N 1 1 330.453 3.092 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)cs1 ZINC000096041781 454266539 /nfs/dbraw/zinc/26/65/39/454266539.db2.gz MVNVOPJIEXMGQY-RCCFBDPRSA-N 1 1 330.453 3.092 40 0 EGABMO c1cc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cs1 ZINC000096042457 454268476 /nfs/dbraw/zinc/26/84/76/454268476.db2.gz BNDNBURRRQIEHB-KURKYZTESA-N 1 1 330.453 3.092 40 0 EGABMO Cn1cc(CN2CCC[C@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046987 454270315 /nfs/dbraw/zinc/27/03/15/454270315.db2.gz YPVCDFBODJECLZ-FQEVSTJZSA-N 1 1 342.462 3.047 40 0 EGABMO Cn1cc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046987 454270316 /nfs/dbraw/zinc/27/03/16/454270316.db2.gz YPVCDFBODJECLZ-FQEVSTJZSA-N 1 1 342.462 3.047 40 0 EGABMO Cn1cc(C[N@H+]2CCC[C@]3(CCN(Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096046987 454270321 /nfs/dbraw/zinc/27/03/21/454270321.db2.gz YPVCDFBODJECLZ-FQEVSTJZSA-N 1 1 342.462 3.047 40 0 EGABMO Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4cccs4)CC[N@H+]3C2)c1 ZINC000096055133 454274689 /nfs/dbraw/zinc/27/46/89/454274689.db2.gz DMCBCGNLDSUMOU-WBVHZDCISA-N 1 1 332.444 3.225 40 0 EGABMO Fc1cccc(O[C@H]2C[C@@H]3C[N@H+](Cc4cccs4)CCN3C2)c1 ZINC000096055133 454274692 /nfs/dbraw/zinc/27/46/92/454274692.db2.gz DMCBCGNLDSUMOU-WBVHZDCISA-N 1 1 332.444 3.225 40 0 EGABMO Fc1cccc(O[C@H]2C[C@@H]3C[N@@H+](Cc4cccs4)CCN3C2)c1 ZINC000096055133 454274694 /nfs/dbraw/zinc/27/46/94/454274694.db2.gz DMCBCGNLDSUMOU-WBVHZDCISA-N 1 1 332.444 3.225 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)s1 ZINC000096058042 454275197 /nfs/dbraw/zinc/27/51/97/454275197.db2.gz FOTZJGNTJJHPGT-LZLYRXPVSA-N 1 1 330.453 3.262 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)s1 ZINC000096058042 454275202 /nfs/dbraw/zinc/27/52/02/454275202.db2.gz FOTZJGNTJJHPGT-LZLYRXPVSA-N 1 1 330.453 3.262 40 0 EGABMO C[C@H]1C[N@@H+](Cc2ccsc2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061280 454276921 /nfs/dbraw/zinc/27/69/21/454276921.db2.gz UZJFZDCVTDGBPT-POZUXBRTSA-N 1 1 348.512 3.034 40 0 EGABMO c1coc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000096064797 454278228 /nfs/dbraw/zinc/27/82/28/454278228.db2.gz FLOUVMNXFCNXPP-QYZOEREBSA-N 1 1 328.412 3.013 40 0 EGABMO O=C(c1ccc[nH]1)N1CCC2(CC1)C[N@@H+](CC1CC1)Cc1ccccc12 ZINC000096079555 454280252 /nfs/dbraw/zinc/28/02/52/454280252.db2.gz ULCZEKUXURMJBJ-UHFFFAOYSA-N 1 1 349.478 3.414 40 0 EGABMO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1ccccc1F)CC2 ZINC000096078393 454280315 /nfs/dbraw/zinc/28/03/15/454280315.db2.gz OKYASZRXDAMKLS-INIZCTEOSA-N 1 1 348.462 3.177 40 0 EGABMO c1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COCc3ccncc3)C2)cc1 ZINC000096110406 454286205 /nfs/dbraw/zinc/28/62/05/454286205.db2.gz FHKOPFGNJRYWGH-RTWAWAEBSA-N 1 1 338.451 3.279 40 0 EGABMO C[C@H](CNC(=O)c1ccc(Br)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000060555353 454301613 /nfs/dbraw/zinc/30/16/13/454301613.db2.gz LLAZDTFCIPMRPW-QWHCGFSZSA-N 1 1 339.277 3.299 40 0 EGABMO Cc1ncsc1C[N@H+]1Cc2cncn2C[C@@H](COCC2CCC2)C1 ZINC000096207735 454304604 /nfs/dbraw/zinc/30/46/04/454304604.db2.gz ZXFBXIKWHDGFEJ-INIZCTEOSA-N 1 1 346.500 3.097 40 0 EGABMO Cc1ncsc1C[N@@H+]1Cc2cncn2C[C@@H](COCC2CCC2)C1 ZINC000096207735 454304605 /nfs/dbraw/zinc/30/46/05/454304605.db2.gz ZXFBXIKWHDGFEJ-INIZCTEOSA-N 1 1 346.500 3.097 40 0 EGABMO Cc1cc(C)cc(C[N@H+]2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)c1 ZINC000096208707 454305466 /nfs/dbraw/zinc/30/54/66/454305466.db2.gz UVVMTLVBMLMBHX-TZIWHRDSSA-N 1 1 342.483 3.049 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccccn2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096239564 454310727 /nfs/dbraw/zinc/31/07/27/454310727.db2.gz PHXAJJIIGUWXIB-GOSISDBHSA-N 1 1 344.409 3.214 40 0 EGABMO Cc1nc(COC[C@@H]2C[C@@H]3OCC[N@H+](Cc4ccco4)[C@H]3C2)cs1 ZINC000096250650 454311914 /nfs/dbraw/zinc/31/19/14/454311914.db2.gz LCIALNBLZGDAFR-WBAXXEDZSA-N 1 1 348.468 3.241 40 0 EGABMO Cc1nc(COC[C@@H]2C[C@@H]3OCC[N@@H+](Cc4ccco4)[C@H]3C2)cs1 ZINC000096250650 454311918 /nfs/dbraw/zinc/31/19/18/454311918.db2.gz LCIALNBLZGDAFR-WBAXXEDZSA-N 1 1 348.468 3.241 40 0 EGABMO Cc1ccc(CN2CCO[C@H]3C[N@@H+](Cc4ccc(C)s4)C[C@H]32)o1 ZINC000096248789 454311948 /nfs/dbraw/zinc/31/19/48/454311948.db2.gz JTLMNCYGUYEBNN-MSOLQXFVSA-N 1 1 332.469 3.043 40 0 EGABMO Cc1ncsc1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000096413839 454330132 /nfs/dbraw/zinc/33/01/32/454330132.db2.gz BUGMNSLWTHGHEY-STQMWFEESA-N 1 1 345.468 3.313 40 0 EGABMO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000096439814 454349324 /nfs/dbraw/zinc/34/93/24/454349324.db2.gz FWFJNYWYBOIYFF-MMNRESRNSA-N 1 1 343.471 3.051 40 0 EGABMO CSc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000096461205 454359695 /nfs/dbraw/zinc/35/96/95/454359695.db2.gz ZAJALAGMSRMVLZ-KEYYUXOJSA-N 1 1 335.517 3.451 40 0 EGABMO CS[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485943 454367195 /nfs/dbraw/zinc/36/71/95/454367195.db2.gz RFDGLBVFWXPHQO-ITDIGPHOSA-N 1 1 344.883 3.340 40 0 EGABMO C[C@H](NC(=O)N(c1ccccc1)c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000096501218 454371844 /nfs/dbraw/zinc/37/18/44/454371844.db2.gz VDRREARQFKBANC-QFBILLFUSA-N 1 1 339.439 3.253 40 0 EGABMO C[C@H](NC(=O)N(c1ccccc1)c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000096501218 454371848 /nfs/dbraw/zinc/37/18/48/454371848.db2.gz VDRREARQFKBANC-QFBILLFUSA-N 1 1 339.439 3.253 40 0 EGABMO CCn1c2ccc(C)cc2[nH+]c1NCc1cn(Cc2cccnc2)nn1 ZINC000097378045 454434370 /nfs/dbraw/zinc/43/43/70/454434370.db2.gz YVYVNGTZDTYOIC-UHFFFAOYSA-N 1 1 347.426 3.012 40 0 EGABMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(O)c(Cl)c2)[C@H](C)C1 ZINC000097374634 454434909 /nfs/dbraw/zinc/43/49/09/454434909.db2.gz JPTJRAAMKSHGKH-CZUORRHYSA-N 1 1 338.879 3.167 40 0 EGABMO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)[C@H](C)C1 ZINC000073949319 454506227 /nfs/dbraw/zinc/50/62/27/454506227.db2.gz CPKYYEDSOCVBCR-RKVPGOIHSA-N 1 1 348.462 3.223 40 0 EGABMO O=C(c1ccccc1Cl)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000092931189 454656698 /nfs/dbraw/zinc/65/66/98/454656698.db2.gz VSZKQPPVPTZDKK-UHFFFAOYSA-N 1 1 338.904 3.384 40 0 EGABMO c1coc(C[N@@H+]2CCO[C@@]3(CCC[C@@H]3COCc3nccs3)C2)c1 ZINC000107194551 454745866 /nfs/dbraw/zinc/74/58/66/454745866.db2.gz APBJLCUXYFBBDZ-QAPCUYQASA-N 1 1 348.468 3.324 40 0 EGABMO c1coc(C[N@H+]2CCO[C@@]3(CCC[C@@H]3COCc3nccs3)C2)c1 ZINC000107194551 454745870 /nfs/dbraw/zinc/74/58/70/454745870.db2.gz APBJLCUXYFBBDZ-QAPCUYQASA-N 1 1 348.468 3.324 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@@]3(C[C@@H](Nc4cccnc4)CO3)C2)n1 ZINC000107228378 454747472 /nfs/dbraw/zinc/74/74/72/454747472.db2.gz IPUZESSZBBOFLB-WOJBJXKFSA-N 1 1 338.455 3.021 40 0 EGABMO Cc1csc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)n1 ZINC000107712063 454770153 /nfs/dbraw/zinc/77/01/53/454770153.db2.gz IVNQIJBEZJPDBE-WMZOPIPTSA-N 1 1 336.501 3.249 40 0 EGABMO CCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000110595270 454848940 /nfs/dbraw/zinc/84/89/40/454848940.db2.gz FBPLIBPHGBXQDU-HZPDHXFCSA-N 1 1 338.517 3.076 40 0 EGABMO C[C@@H](CC(=O)c1ccco1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000155353536 454990459 /nfs/dbraw/zinc/99/04/59/454990459.db2.gz TUJPXSYSSWZVQH-LSDHHAIUSA-N 1 1 332.444 3.012 40 0 EGABMO C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1nccs1 ZINC000248756387 455729847 /nfs/dbraw/zinc/72/98/47/455729847.db2.gz GFABNTBMLOOSDT-IJEWVQPXSA-N 1 1 344.484 3.024 40 0 EGABMO C[N@@H+]1CC[C@H](CNC(=O)c2ccoc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252486328 455810336 /nfs/dbraw/zinc/81/03/36/455810336.db2.gz IMFXJHKTMHWXMM-MLGOLLRUSA-N 1 1 336.794 3.495 40 0 EGABMO C[N@H+]1CC[C@H](CNC(=O)c2ccoc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252486328 455810341 /nfs/dbraw/zinc/81/03/41/455810341.db2.gz IMFXJHKTMHWXMM-MLGOLLRUSA-N 1 1 336.794 3.495 40 0 EGABMO C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H](C)N1CC[C@H]1CCCCO1 ZINC000252516568 455818967 /nfs/dbraw/zinc/81/89/67/455818967.db2.gz UIMCRFFZMZMAPL-ZGXWSNOMSA-N 1 1 338.536 3.299 40 0 EGABMO C[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H](C)[N@H+]1CC[C@H]1CCCCO1 ZINC000252516568 455818972 /nfs/dbraw/zinc/81/89/72/455818972.db2.gz UIMCRFFZMZMAPL-ZGXWSNOMSA-N 1 1 338.536 3.299 40 0 EGABMO C[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H](C)[N@@H+]1CC[C@H]1CCCCO1 ZINC000252516568 455818976 /nfs/dbraw/zinc/81/89/76/455818976.db2.gz UIMCRFFZMZMAPL-ZGXWSNOMSA-N 1 1 338.536 3.299 40 0 EGABMO c1nc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)oc1C1CC1 ZINC000253416138 455841000 /nfs/dbraw/zinc/84/10/00/455841000.db2.gz XFZYBIMIRBEERV-OAHLLOKOSA-N 1 1 341.459 3.250 40 0 EGABMO c1nc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)oc1C1CC1 ZINC000253416138 455841005 /nfs/dbraw/zinc/84/10/05/455841005.db2.gz XFZYBIMIRBEERV-OAHLLOKOSA-N 1 1 341.459 3.250 40 0 EGABMO CC(C)n1nccc1CNCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000253416471 455842520 /nfs/dbraw/zinc/84/25/20/455842520.db2.gz FFDYVPMCZSOLAP-UHFFFAOYSA-N 1 1 342.487 3.227 40 0 EGABMO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000257279040 455881146 /nfs/dbraw/zinc/88/11/46/455881146.db2.gz OETICCMDQMMBQI-INIZCTEOSA-N 1 1 328.416 3.064 40 0 EGABMO Nc1nccnc1C[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000257299061 455886763 /nfs/dbraw/zinc/88/67/63/455886763.db2.gz ROOYPVXHZFVUCR-HNNXBMFYSA-N 1 1 333.439 3.062 40 0 EGABMO COCCC1(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)CCCCC1 ZINC000187476536 455915382 /nfs/dbraw/zinc/91/53/82/455915382.db2.gz SYVKWEDGZQGWQE-FGTMMUONSA-N 1 1 325.493 3.242 40 0 EGABMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000221348522 456042614 /nfs/dbraw/zinc/04/26/14/456042614.db2.gz PAXSWWDWSTWKIY-MJVIPROJSA-N 1 1 344.425 3.338 40 0 EGABMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000221348522 456042619 /nfs/dbraw/zinc/04/26/19/456042619.db2.gz PAXSWWDWSTWKIY-MJVIPROJSA-N 1 1 344.425 3.338 40 0 EGABMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000221348415 456042672 /nfs/dbraw/zinc/04/26/72/456042672.db2.gz PAXSWWDWSTWKIY-COPLHBTASA-N 1 1 344.425 3.338 40 0 EGABMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000221348415 456042676 /nfs/dbraw/zinc/04/26/76/456042676.db2.gz PAXSWWDWSTWKIY-COPLHBTASA-N 1 1 344.425 3.338 40 0 EGABMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CCOc3c(Cl)cccc31)C2 ZINC000289942739 456189769 /nfs/dbraw/zinc/18/97/69/456189769.db2.gz LPQOFFKIHWSLPE-BLLLJJGKSA-N 1 1 345.830 3.047 40 0 EGABMO CC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CCO2 ZINC000306132259 456566693 /nfs/dbraw/zinc/56/66/93/456566693.db2.gz LDAAOGODECCYJB-VNYTWHDVSA-N 1 1 346.515 3.129 40 0 EGABMO O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000283451883 456784285 /nfs/dbraw/zinc/78/42/85/456784285.db2.gz ZMWCXJAKDPYOEB-UHFFFAOYSA-N 1 1 338.333 3.277 40 0 EGABMO C[NH+]1CCN(C(=S)c2ccccc2OCc2ccccc2)CC1 ZINC000408577470 457582863 /nfs/dbraw/zinc/58/28/63/457582863.db2.gz SQIJILJNYGAMPR-UHFFFAOYSA-N 1 1 326.465 3.189 40 0 EGABMO c1cc2n(c1)C[C@@H](CCOCC1CC1)C[N@H+](CC1CCOCC1)C2 ZINC000585095533 459823085 /nfs/dbraw/zinc/82/30/85/459823085.db2.gz VPBZPYMYLNERPP-IBGZPJMESA-N 1 1 332.488 3.163 40 0 EGABMO COC[C@H]1CN(Cc2csc(C)n2)CC12CC[NH+](C1CCC1)CC2 ZINC000585102739 459824118 /nfs/dbraw/zinc/82/41/18/459824118.db2.gz CPAUKTVCCDWDCL-MRXNPFEDSA-N 1 1 349.544 3.164 40 0 EGABMO CC[C@H](C)[N@H+]1CCOC[C@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585103637 459824517 /nfs/dbraw/zinc/82/45/17/459824517.db2.gz DZDZEJYYNNLVES-ABSDTBQOSA-N 1 1 330.472 3.097 40 0 EGABMO c1cc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)cs1 ZINC000585105509 459825239 /nfs/dbraw/zinc/82/52/39/459825239.db2.gz YPCFTZVWEQZBBF-MRXNPFEDSA-N 1 1 332.494 3.420 40 0 EGABMO C[N@@H+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H]1c1ccccc1 ZINC000585182482 459831562 /nfs/dbraw/zinc/83/15/62/459831562.db2.gz SQPBPTBUEKHCCQ-IBGZPJMESA-N 1 1 348.450 3.011 40 0 EGABMO C[N@H+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H]1c1ccccc1 ZINC000585182482 459831564 /nfs/dbraw/zinc/83/15/64/459831564.db2.gz SQPBPTBUEKHCCQ-IBGZPJMESA-N 1 1 348.450 3.011 40 0 EGABMO Cc1cccc(OC[C@@]2(O)C[N@H+](C3CCC(C)(C)CC3)CC[C@@H]2O)c1 ZINC000585283684 459832002 /nfs/dbraw/zinc/83/20/02/459832002.db2.gz SZNVBVDCQYDISO-FPOVZHCZSA-N 1 1 347.499 3.140 40 0 EGABMO C[NH+](C)Cc1ccc(NC(=O)c2cscn2)cc1Br ZINC000225526208 536016012 /nfs/dbraw/zinc/01/60/12/536016012.db2.gz TYGOBZXFKGNXES-UHFFFAOYSA-N 1 1 340.246 3.220 40 0 EGABMO C[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1Cl ZINC000068045960 215271450 /nfs/dbraw/zinc/27/14/50/215271450.db2.gz WEGQYKZIDMHISK-QGZVFWFLSA-N 1 1 337.822 3.489 40 0 EGABMO Cc1cc(F)ccc1C[NH2+][C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000069170957 215367120 /nfs/dbraw/zinc/36/71/20/215367120.db2.gz NZKIQBMPGIYSSE-OAQYLSRUSA-N 1 1 341.474 3.212 40 0 EGABMO O=C(NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1cccs1 ZINC000036700075 213110538 /nfs/dbraw/zinc/11/05/38/213110538.db2.gz XRBYPEYIQXRNLE-QGZVFWFLSA-N 1 1 344.480 3.332 40 0 EGABMO O=C(NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1cccs1 ZINC000036700075 213110541 /nfs/dbraw/zinc/11/05/41/213110541.db2.gz XRBYPEYIQXRNLE-QGZVFWFLSA-N 1 1 344.480 3.332 40 0 EGABMO COc1ccccc1[C@@H](CNC(=O)CCCc1ccccc1)[NH+](C)C ZINC000036396563 213096584 /nfs/dbraw/zinc/09/65/84/213096584.db2.gz IGPNZQUSSLEPNU-LJQANCHMSA-N 1 1 340.467 3.437 40 0 EGABMO O=S(=O)(c1ccccc1)N1C[C@@H]2CCCC[N@@H+](C3CCCC3)[C@@H]2C1 ZINC000072330676 216155022 /nfs/dbraw/zinc/15/50/22/216155022.db2.gz RPQXLAUOVBPTNV-QFBILLFUSA-N 1 1 348.512 3.104 40 0 EGABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072349508 216160426 /nfs/dbraw/zinc/16/04/26/216160426.db2.gz CENJUGQCHHZRGX-OAHLLOKOSA-N 1 1 341.430 3.155 40 0 EGABMO O=C(C1CCC1)N1CC[N@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355148 216163945 /nfs/dbraw/zinc/16/39/45/216163945.db2.gz DHSQUWOJKQTKEZ-KRWDZBQOSA-N 1 1 341.499 3.127 40 0 EGABMO Cc1nc2sccn2c1C[N@H+]1CC[C@H](c2nc(C)cc(C)n2)C1 ZINC000072369804 216177003 /nfs/dbraw/zinc/17/70/03/216177003.db2.gz XLHVLVLWXPUORX-AWEZNQCLSA-N 1 1 327.457 3.101 40 0 EGABMO COc1cccc(C[N@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000072389917 216189101 /nfs/dbraw/zinc/18/91/01/216189101.db2.gz KPBUCCPPRRGKAB-INIZCTEOSA-N 1 1 336.395 3.130 40 0 EGABMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3cccnc3)n2)C1 ZINC000022293662 212289038 /nfs/dbraw/zinc/28/90/38/212289038.db2.gz TVDGNLBGFVWCJZ-CHWSQXEVSA-N 1 1 330.457 3.268 40 0 EGABMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000193975929 240384488 /nfs/dbraw/zinc/38/44/88/240384488.db2.gz ORCSFXHMEXVXFA-DOTOQJQBSA-N 1 1 330.428 3.099 40 0 EGABMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000193975929 240384495 /nfs/dbraw/zinc/38/44/95/240384495.db2.gz ORCSFXHMEXVXFA-DOTOQJQBSA-N 1 1 330.428 3.099 40 0 EGABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2CCc2ccc(F)cc2)n1 ZINC000257207560 244138656 /nfs/dbraw/zinc/13/86/56/244138656.db2.gz BIHOLZBFQMCQFZ-HXUWFJFHSA-N 1 1 341.430 3.236 40 0 EGABMO CN(C)Cc1cnc(CC2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000257233287 244220186 /nfs/dbraw/zinc/22/01/86/244220186.db2.gz GOPOIRNPDZJTKS-UHFFFAOYSA-N 1 1 338.499 3.035 40 0 EGABMO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2F)ccn1 ZINC000257267549 244366956 /nfs/dbraw/zinc/36/69/56/244366956.db2.gz MHTHULPSKRVNAT-LJQANCHMSA-N 1 1 345.393 3.333 40 0 EGABMO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2F)ccn1 ZINC000257267549 244366961 /nfs/dbraw/zinc/36/69/61/244366961.db2.gz MHTHULPSKRVNAT-LJQANCHMSA-N 1 1 345.393 3.333 40 0 EGABMO CN1CC[N@@H+](CC2CC2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589537 212049110 /nfs/dbraw/zinc/04/91/10/212049110.db2.gz ARBBWOWPBUEPTF-OAQYLSRUSA-N 1 1 349.478 3.091 40 0 EGABMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC000019369780 212022619 /nfs/dbraw/zinc/02/26/19/212022619.db2.gz DASHMSDRRRFPRJ-OAQYLSRUSA-N 1 1 347.418 3.362 40 0 EGABMO O=C(Nc1cccc2[nH]ccc21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078102406 217022398 /nfs/dbraw/zinc/02/23/98/217022398.db2.gz UYOSREDPOICHOO-IBGZPJMESA-N 1 1 335.407 3.007 40 0 EGABMO O=C(Nc1cccc2[nH]ccc21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078102406 217022400 /nfs/dbraw/zinc/02/24/00/217022400.db2.gz UYOSREDPOICHOO-IBGZPJMESA-N 1 1 335.407 3.007 40 0 EGABMO OCC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccs1 ZINC000012291859 211334795 /nfs/dbraw/zinc/33/47/95/211334795.db2.gz QYBFEODFCSRQLD-UHFFFAOYSA-N 1 1 331.416 3.067 40 0 EGABMO OCC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccs1 ZINC000012291859 211334798 /nfs/dbraw/zinc/33/47/98/211334798.db2.gz QYBFEODFCSRQLD-UHFFFAOYSA-N 1 1 331.416 3.067 40 0 EGABMO COc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c1 ZINC000012135063 211301336 /nfs/dbraw/zinc/30/13/36/211301336.db2.gz IONLHEXFPFOAQY-HTZLVSCSSA-N 1 1 338.451 3.210 40 0 EGABMO COc1cccc(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)c1 ZINC000012119077 211298400 /nfs/dbraw/zinc/29/84/00/211298400.db2.gz DSXOOJYJJMZINR-INIZCTEOSA-N 1 1 338.407 3.440 40 0 EGABMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000092101255 218119295 /nfs/dbraw/zinc/11/92/95/218119295.db2.gz UKUGDTPUYUGQFY-LBPRGKRZSA-N 1 1 332.341 3.145 40 0 EGABMO C[N@H+](CCOc1ccccc1)CC(=O)Nc1cccc2ncccc21 ZINC000008988417 211027245 /nfs/dbraw/zinc/02/72/45/211027245.db2.gz LZPZJOWGANLPCD-UHFFFAOYSA-N 1 1 335.407 3.184 40 0 EGABMO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1cccc2ncccc21 ZINC000008988417 211027248 /nfs/dbraw/zinc/02/72/48/211027248.db2.gz LZPZJOWGANLPCD-UHFFFAOYSA-N 1 1 335.407 3.184 40 0 EGABMO CN(CCSc1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000095398355 218331099 /nfs/dbraw/zinc/33/10/99/218331099.db2.gz ATOILTXTIUMCNM-UHFFFAOYSA-N 1 1 334.529 3.354 40 0 EGABMO Cc1ccc(NCc2ccn(C)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000095448700 218392796 /nfs/dbraw/zinc/39/27/96/218392796.db2.gz QZKJLVVTUWUNQH-UHFFFAOYSA-N 1 1 340.471 3.370 40 0 EGABMO Cc1nc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cs1 ZINC000096215374 218688187 /nfs/dbraw/zinc/68/81/87/218688187.db2.gz CLJIUHRXPSPPCS-LJQANCHMSA-N 1 1 349.544 3.166 40 0 EGABMO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccccn1 ZINC000097231547 219000162 /nfs/dbraw/zinc/00/01/62/219000162.db2.gz MIRSCLNRESJXPM-MEDUHNTESA-N 1 1 333.794 3.330 40 0 EGABMO COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1cc(C)[nH+]c(C)n1 ZINC000132818808 533402902 /nfs/dbraw/zinc/40/29/02/533402902.db2.gz QXQAOWYVAVUULN-MRXNPFEDSA-N 1 1 340.427 3.018 40 0 EGABMO C[C@H](Oc1ccccc1F)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000019079187 290185410 /nfs/dbraw/zinc/18/54/10/290185410.db2.gz WBKJLZWOACODHV-MAUKXSAKSA-N 1 1 342.414 3.108 40 0 EGABMO C[C@H](Oc1ccccc1F)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000019079187 290185415 /nfs/dbraw/zinc/18/54/15/290185415.db2.gz WBKJLZWOACODHV-MAUKXSAKSA-N 1 1 342.414 3.108 40 0 EGABMO C[C@]1([NH+]2CCCCC2)COc2ccc(Br)cc2[C@H]1O ZINC000005531031 452880990 /nfs/dbraw/zinc/88/09/90/452880990.db2.gz NLDQZKXOEPFGRX-CABCVRRESA-N 1 1 326.234 3.120 40 0 EGABMO 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 452900421 /nfs/dbraw/zinc/90/04/21/452900421.db2.gz YGXRMWHUFMBLQJ-POGUXHMRSA-N 1 1 347.543 3.294 40 0 EGABMO CCC[N@H+]1C[C@H](C[S@](C)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000005834084 452905142 /nfs/dbraw/zinc/90/51/42/452905142.db2.gz WOIHSNDTPKFAJW-DTICPPOHSA-N 1 1 330.497 3.287 40 0 in-vitro EGABMO COc1cc(C[NH2+]CCCN(C)C)ccc1OCCc1ccccc1 ZINC000007540133 453085270 /nfs/dbraw/zinc/08/52/70/453085270.db2.gz ITHRXQALSHHLFE-UHFFFAOYSA-N 1 1 342.483 3.358 40 0 EGABMO Cc1ccc2nc(C[N@H+]3CCC[C@H]3c3cccs3)cc(=O)n2c1 ZINC000008319991 453192114 /nfs/dbraw/zinc/19/21/14/453192114.db2.gz LGTKVLKBSNNWSV-HNNXBMFYSA-N 1 1 325.437 3.402 40 0 EGABMO CCC(=O)N1CCCc2cc([C@H](O)C[N@H+]3CCC[C@@H](C)C3)ccc21 ZINC000012291555 453354624 /nfs/dbraw/zinc/35/46/24/453354624.db2.gz RJWUXZLTVUFXQN-DNVCBOLYSA-N 1 1 330.472 3.141 40 0 EGABMO O[C@]1(c2ccccn2)CC[C@@H]2C[N@@H+](Cc3cccc4ncccc34)C[C@@H]21 ZINC000013267815 453455067 /nfs/dbraw/zinc/45/50/67/453455067.db2.gz KHTJGFKNLWNJOB-ZWCUEREDSA-N 1 1 345.446 3.359 40 0 EGABMO O=c1oc2ccc(Cl)cc2n1C1CC[NH+](Cc2ccccn2)CC1 ZINC000013267874 453455624 /nfs/dbraw/zinc/45/56/24/453455624.db2.gz PCTSQYJPQRTWAJ-UHFFFAOYSA-N 1 1 343.814 3.480 40 0 EGABMO C[C@@H]1CN(c2nccc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)n2)C[C@@H](C)O1 ZINC000019497688 453656118 /nfs/dbraw/zinc/65/61/18/453656118.db2.gz JSRKLFWAMGIZPM-VXNCWWDNSA-N 1 1 344.503 3.245 40 0 EGABMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000075964489 453942592 /nfs/dbraw/zinc/94/25/92/453942592.db2.gz HKFMXNKYEQSSIQ-HNNXBMFYSA-N 1 1 344.484 3.079 40 0 EGABMO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000075964489 453942595 /nfs/dbraw/zinc/94/25/95/453942595.db2.gz HKFMXNKYEQSSIQ-HNNXBMFYSA-N 1 1 344.484 3.079 40 0 EGABMO CCc1[nH+]ccn1CC1CCN(C(=O)Nc2ccccc2OC)CC1 ZINC000085436354 454028592 /nfs/dbraw/zinc/02/85/92/454028592.db2.gz FKFOYUCHKBNRIA-UHFFFAOYSA-N 1 1 342.443 3.398 40 0 EGABMO COc1cccc(C[N@H+]2CCN(Cc3ccccc3OC)[C@@H](C)C2)c1 ZINC000057728975 454143497 /nfs/dbraw/zinc/14/34/97/454143497.db2.gz IJAJFBPVBAOCEH-KRWDZBQOSA-N 1 1 340.467 3.410 40 0 EGABMO COc1cccc(CN2CC[N@H+](Cc3ccccc3OC)[C@@H](C)C2)c1 ZINC000057728975 454143499 /nfs/dbraw/zinc/14/34/99/454143499.db2.gz IJAJFBPVBAOCEH-KRWDZBQOSA-N 1 1 340.467 3.410 40 0 EGABMO COc1cccc(CN2CC[N@@H+](Cc3ccccc3OC)[C@@H](C)C2)c1 ZINC000057728975 454143501 /nfs/dbraw/zinc/14/35/01/454143501.db2.gz IJAJFBPVBAOCEH-KRWDZBQOSA-N 1 1 340.467 3.410 40 0 EGABMO C=Cn1ncc(C[N@@H+]2CCCN(c3cccc(OC)c3)CC2)c1C ZINC000057811400 454147700 /nfs/dbraw/zinc/14/77/00/454147700.db2.gz RLVIEUPFTDVWDQ-UHFFFAOYSA-N 1 1 326.444 3.013 40 0 EGABMO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000071793333 454217915 /nfs/dbraw/zinc/21/79/15/454217915.db2.gz NAXOKQJEPZGLNO-HNNXBMFYSA-N 1 1 328.456 3.029 40 0 EGABMO O[C@@H](CNc1nc2ccccc2s1)C[N@H+]1CCc2ccccc2C1 ZINC000046479054 454254944 /nfs/dbraw/zinc/25/49/44/454254944.db2.gz OANALHLMQZYHST-INIZCTEOSA-N 1 1 339.464 3.127 40 0 EGABMO Cc1ccccc1OCCC[N@H+](C)C[C@H](O)COc1ccccc1C ZINC000059384298 454257762 /nfs/dbraw/zinc/25/77/62/454257762.db2.gz IPHIOKCINSCLRD-IBGZPJMESA-N 1 1 343.467 3.444 40 0 EGABMO c1cc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)cs1 ZINC000096041712 454266910 /nfs/dbraw/zinc/26/69/10/454266910.db2.gz AKALTYJEWUODLN-RCCFBDPRSA-N 1 1 330.453 3.092 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)cs1 ZINC000096041712 454266916 /nfs/dbraw/zinc/26/69/16/454266916.db2.gz AKALTYJEWUODLN-RCCFBDPRSA-N 1 1 330.453 3.092 40 0 EGABMO c1csc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000096041780 454266963 /nfs/dbraw/zinc/26/69/63/454266963.db2.gz PAFKJMCBRJMNTF-RCCFBDPRSA-N 1 1 330.453 3.092 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000096041780 454266965 /nfs/dbraw/zinc/26/69/65/454266965.db2.gz PAFKJMCBRJMNTF-RCCFBDPRSA-N 1 1 330.453 3.092 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)co1 ZINC000096039977 454267088 /nfs/dbraw/zinc/26/70/88/454267088.db2.gz OAFDTTLQWVUFQE-RTBURBONSA-N 1 1 328.412 3.125 40 0 EGABMO Cc1ccsc1C[N@H+]1CCO[C@@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041373 454267211 /nfs/dbraw/zinc/26/72/11/454267211.db2.gz QUAGYYYOCXMJKL-LNLFQRSKSA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)o1 ZINC000096042494 454268642 /nfs/dbraw/zinc/26/86/42/454268642.db2.gz LPBPNPMRYWPLNT-KURKYZTESA-N 1 1 348.468 3.302 40 0 EGABMO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](c4ccnc(C)n4)O[C@@H]3C2)oc1C ZINC000096046371 454269392 /nfs/dbraw/zinc/26/93/92/454269392.db2.gz TVQDUODILVUSTM-ZYSHUDEJSA-N 1 1 327.428 3.347 40 0 EGABMO O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096047025 454269515 /nfs/dbraw/zinc/26/95/15/454269515.db2.gz IMBFMSYMRBRWNG-LJQANCHMSA-N 1 1 341.480 3.271 40 0 EGABMO Fc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096047156 454270056 /nfs/dbraw/zinc/27/00/56/454270056.db2.gz MHPWFKDJNDAYSL-IBGZPJMESA-N 1 1 326.419 3.108 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)o1 ZINC000096049550 454272374 /nfs/dbraw/zinc/27/23/74/454272374.db2.gz SIVDRQLYCSDWJU-FQEVSTJZSA-N 1 1 341.455 3.102 40 0 EGABMO CN1CCN(c2ccc([C@H]3CCC[N@@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216512 454273455 /nfs/dbraw/zinc/27/34/55/454273455.db2.gz OYOLBOTZYZOWTI-HXUWFJFHSA-N 1 1 336.483 3.171 40 0 EGABMO CN1CCN(c2ccc([C@H]3CCC[N@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216512 454273459 /nfs/dbraw/zinc/27/34/59/454273459.db2.gz OYOLBOTZYZOWTI-HXUWFJFHSA-N 1 1 336.483 3.171 40 0 EGABMO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@H+](Cc4ccco4)[C@@H]3C2)n1 ZINC000096055526 454274405 /nfs/dbraw/zinc/27/44/05/454274405.db2.gz YBZOZHFMGKVKTQ-PWIZWCRZSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@@H+](Cc4ccco4)[C@@H]3C2)n1 ZINC000096055526 454274411 /nfs/dbraw/zinc/27/44/11/454274411.db2.gz YBZOZHFMGKVKTQ-PWIZWCRZSA-N 1 1 342.439 3.179 40 0 EGABMO COc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096053873 454274590 /nfs/dbraw/zinc/27/45/90/454274590.db2.gz LIKPMNUTMQLPQJ-KDURUIRLSA-N 1 1 340.442 3.398 40 0 EGABMO COc1ccc(CN2C[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053873 454274594 /nfs/dbraw/zinc/27/45/94/454274594.db2.gz LIKPMNUTMQLPQJ-KDURUIRLSA-N 1 1 340.442 3.398 40 0 EGABMO COc1ccc(CN2C[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053873 454274600 /nfs/dbraw/zinc/27/46/00/454274600.db2.gz LIKPMNUTMQLPQJ-KDURUIRLSA-N 1 1 340.442 3.398 40 0 EGABMO CNc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c(C)[nH+]1 ZINC000072219110 454275585 /nfs/dbraw/zinc/27/55/85/454275585.db2.gz ZUPZZALQHIRGCT-KRWDZBQOSA-N 1 1 345.468 3.266 40 0 EGABMO COc1cccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)c1 ZINC000072227794 454276652 /nfs/dbraw/zinc/27/66/52/454276652.db2.gz MGIXLOJDMLCGNH-LSDHHAIUSA-N 1 1 337.206 3.417 40 0 EGABMO Cc1cccc(CN2CC[C@]3(CCN(c4cccc(C)[nH+]4)C3)C2=O)c1 ZINC000096063246 454277939 /nfs/dbraw/zinc/27/79/39/454277939.db2.gz LYQFFMZKGXQBEO-OAQYLSRUSA-N 1 1 335.451 3.327 40 0 EGABMO Cc1ccc(CN2CCOC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)o1 ZINC000096062395 454278437 /nfs/dbraw/zinc/27/84/37/454278437.db2.gz FEMXWNQWDHYYPO-LJQANCHMSA-N 1 1 346.496 3.374 40 0 EGABMO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)[C@H]2C1 ZINC000096080589 454280356 /nfs/dbraw/zinc/28/03/56/454280356.db2.gz ODAWGHBAUACBMA-ICSRJNTNSA-N 1 1 335.451 3.467 40 0 EGABMO O=C1[C@@H]2C[C@@H](C[N@H+]2C2CCC2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111853 454287067 /nfs/dbraw/zinc/28/70/67/454287067.db2.gz VQYWXMOQISYWQF-HKUYNNGSSA-N 1 1 349.434 3.003 40 0 biogenic,in-vitro EGABMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CC4CC4)C3)C2)n1 ZINC000096216254 454306247 /nfs/dbraw/zinc/30/62/47/454306247.db2.gz KWDZFEVSJKNJRJ-HXUWFJFHSA-N 1 1 327.472 3.005 40 0 EGABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccco3)CC2)N1Cc1ccncc1 ZINC000096218079 454306674 /nfs/dbraw/zinc/30/66/74/454306674.db2.gz WPSDEPPOMHAQOL-HXUWFJFHSA-N 1 1 339.439 3.222 40 0 EGABMO CC(C)NC(=O)N1CC[C@H](F)[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096241269 454311177 /nfs/dbraw/zinc/31/11/77/454311177.db2.gz FEEGXCIVAJOQOH-DOTOQJQBSA-N 1 1 339.480 3.102 40 0 EGABMO CN(CC(C)(C)C)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000096403446 454322268 /nfs/dbraw/zinc/32/22/68/454322268.db2.gz LUNKIPREKSYHIG-UHFFFAOYSA-N 1 1 333.476 3.071 40 0 EGABMO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000096414433 454331162 /nfs/dbraw/zinc/33/11/62/454331162.db2.gz XUOJEJSVBJBSSH-UKRRQHHQSA-N 1 1 342.405 3.342 40 0 EGABMO CSc1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000096435400 454346118 /nfs/dbraw/zinc/34/61/18/454346118.db2.gz WRJISHMSJNQJDR-LBPRGKRZSA-N 1 1 325.453 3.353 40 0 EGABMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)on1 ZINC000065514742 454581660 /nfs/dbraw/zinc/58/16/60/454581660.db2.gz DHQQBDVVVQGSMT-GOSISDBHSA-N 1 1 347.418 3.346 40 0 EGABMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1cccc(NS(C)(=O)=O)c1 ZINC000092742279 454623974 /nfs/dbraw/zinc/62/39/74/454623974.db2.gz CQCGJSIBMOWRHQ-RYUDHWBXSA-N 1 1 337.420 3.004 40 0 EGABMO Cc1ccc([C@@H]2C[N@H+](Cc3ccc(-n4cncn4)c(C)c3)CCO2)o1 ZINC000093864621 454741329 /nfs/dbraw/zinc/74/13/29/454741329.db2.gz KWVILAAWQYVTBR-IBGZPJMESA-N 1 1 338.411 3.051 40 0 EGABMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(-n4cncn4)c(C)c3)CCO2)o1 ZINC000093864621 454741337 /nfs/dbraw/zinc/74/13/37/454741337.db2.gz KWVILAAWQYVTBR-IBGZPJMESA-N 1 1 338.411 3.051 40 0 EGABMO Cc1cc(C)c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000176477077 454750121 /nfs/dbraw/zinc/75/01/21/454750121.db2.gz BJHLXFCPOSZYMY-GOSISDBHSA-N 1 1 326.440 3.191 40 0 EGABMO Clc1ccccc1OC[C@H]1CCC[N@@H+](CCC2OCCO2)C1 ZINC000125192710 454802726 /nfs/dbraw/zinc/80/27/26/454802726.db2.gz XHJBOIWXWHFCRT-AWEZNQCLSA-N 1 1 325.836 3.194 40 0 EGABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3COCc2cccnc2)cc1 ZINC000248089119 455679703 /nfs/dbraw/zinc/67/97/03/455679703.db2.gz LBQJIVZZNDXMTN-HXUWFJFHSA-N 1 1 338.451 3.198 40 0 EGABMO c1cncc(-c2nnc3n2CC[N@@H+](CCSC2CCCCC2)C3)c1 ZINC000252494711 455813499 /nfs/dbraw/zinc/81/34/99/455813499.db2.gz OCMGEUUEHPUJBC-UHFFFAOYSA-N 1 1 343.500 3.222 40 0 EGABMO c1cncc(-c2nnc3n2CC[N@H+](CCSC2CCCCC2)C3)c1 ZINC000252494711 455813505 /nfs/dbraw/zinc/81/35/05/455813505.db2.gz OCMGEUUEHPUJBC-UHFFFAOYSA-N 1 1 343.500 3.222 40 0 EGABMO FC(F)Oc1ccc([C@@H]2C[N@H+](CCc3ccccn3)CCO2)cc1 ZINC000253420952 455844016 /nfs/dbraw/zinc/84/40/16/455844016.db2.gz PIADRUQLCUACPT-KRWDZBQOSA-N 1 1 334.366 3.299 40 0 EGABMO FC(F)Oc1ccc([C@@H]2C[N@@H+](CCc3ccccn3)CCO2)cc1 ZINC000253420952 455844019 /nfs/dbraw/zinc/84/40/19/455844019.db2.gz PIADRUQLCUACPT-KRWDZBQOSA-N 1 1 334.366 3.299 40 0 EGABMO c1nn([C@H]2CC[N@H+](CC3CCC4(CC3)OCCO4)C2)c2ccccc12 ZINC000253427743 455846770 /nfs/dbraw/zinc/84/67/70/455846770.db2.gz AMSUOSULIBVEOU-SFHVURJKSA-N 1 1 341.455 3.216 40 0 EGABMO Cc1csc(N2CCC([NH2+][C@@H](C)c3nc(C(C)(C)C)no3)CC2)n1 ZINC000253429610 455847407 /nfs/dbraw/zinc/84/74/07/455847407.db2.gz UABBCESFDQJIHA-LBPRGKRZSA-N 1 1 349.504 3.452 40 0 EGABMO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)[C@@H](C)C1 ZINC000195532494 455981454 /nfs/dbraw/zinc/98/14/54/455981454.db2.gz CPKYYEDSOCVBCR-VKJFTORMSA-N 1 1 348.462 3.223 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(OC)c1OC ZINC000225047360 456071728 /nfs/dbraw/zinc/07/17/28/456071728.db2.gz CSKHCNZNNMQZRL-HNNXBMFYSA-N 1 1 334.460 3.088 40 0 EGABMO COc1ccc(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1C ZINC000225393403 456079951 /nfs/dbraw/zinc/07/99/51/456079951.db2.gz AADWENCYWWORKA-UHFFFAOYSA-N 1 1 349.434 3.357 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)N(CC2CC2)C(=O)c2cccn23)s1 ZINC000306140785 456566715 /nfs/dbraw/zinc/56/67/15/456566715.db2.gz VEGHYFWRUAUWIC-QZTJIDSGSA-N 1 1 341.480 3.149 40 0 EGABMO COc1ccccc1C[NH+]1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000585105564 459825096 /nfs/dbraw/zinc/82/50/96/459825096.db2.gz ZZUCDCOAQNVNKH-KRWDZBQOSA-N 1 1 342.464 3.229 40 0 EGABMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc(F)c3ccncc23)CC1 ZINC000585107781 459825511 /nfs/dbraw/zinc/82/55/11/459825511.db2.gz RDSYFGCHEBEXIB-UHFFFAOYSA-N 1 1 338.386 3.356 40 0 EGABMO Cc1cccc(O[C@@H]2CCC[C@H]([N@@H+](C)CCN3CCCCC3)[C@H]2O)c1 ZINC000585288522 459833472 /nfs/dbraw/zinc/83/34/72/459833472.db2.gz CUSNSWGPEPFOAV-PWRODBHTSA-N 1 1 346.515 3.074 40 0 EGABMO Cc1cccc(O[C@@H]2CCC[C@H](N(C)CC[NH+]3CCCCC3)[C@H]2O)c1 ZINC000585288522 459833473 /nfs/dbraw/zinc/83/34/73/459833473.db2.gz CUSNSWGPEPFOAV-PWRODBHTSA-N 1 1 346.515 3.074 40 0 EGABMO CC(=O)c1ccc(OC(=O)c2cnn(-c3cc[nH+]cc3)c2C)c(F)c1 ZINC000132914295 527324225 /nfs/dbraw/zinc/32/42/25/527324225.db2.gz YQBCJXGXXVNEEX-UHFFFAOYSA-N 1 1 339.326 3.137 40 0 EGABMO CCN1CC[C@H]([NH2+]Cc2nnc(C)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000225787348 535769577 /nfs/dbraw/zinc/76/95/77/535769577.db2.gz COYYMYVXDBEGFC-HOCLYGCPSA-N 1 1 338.814 3.096 40 0 EGABMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2sccc2C)c1C ZINC000055941485 214350159 /nfs/dbraw/zinc/35/01/59/214350159.db2.gz WQLZVNKKCHBSGN-CYBMUJFWSA-N 1 1 348.468 3.491 40 0 EGABMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2sccc2C)c1C ZINC000055941485 214350161 /nfs/dbraw/zinc/35/01/61/214350161.db2.gz WQLZVNKKCHBSGN-CYBMUJFWSA-N 1 1 348.468 3.491 40 0 EGABMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000066055334 215004849 /nfs/dbraw/zinc/00/48/49/215004849.db2.gz ZTZWBICGABZDQN-OALUTQOASA-N 1 1 337.419 3.181 40 0 EGABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2[nH]cnc2C)s1 ZINC000036740418 213115206 /nfs/dbraw/zinc/11/52/06/213115206.db2.gz NOBQVZPQSXISPO-UHFFFAOYSA-N 1 1 329.473 3.377 40 0 EGABMO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357952 216165967 /nfs/dbraw/zinc/16/59/67/216165967.db2.gz FOGZDHZAAFKKMW-LJQANCHMSA-N 1 1 341.430 3.037 40 0 EGABMO CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357952 216165970 /nfs/dbraw/zinc/16/59/70/216165970.db2.gz FOGZDHZAAFKKMW-LJQANCHMSA-N 1 1 341.430 3.037 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@H]2c2cc(CCC(N)=O)cc(C)n2)c1 ZINC000072367128 216172745 /nfs/dbraw/zinc/17/27/45/216172745.db2.gz KNCNEYSBCHNFAX-FQEVSTJZSA-N 1 1 337.467 3.453 40 0 EGABMO c1cn(-c2cncc([C@H]3CCC[N@@H+]3CCCc3ccccc3)n2)cn1 ZINC000072378674 216180430 /nfs/dbraw/zinc/18/04/30/216180430.db2.gz GKWHWPSHQQWGHL-LJQANCHMSA-N 1 1 333.439 3.432 40 0 EGABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000072378950 216180831 /nfs/dbraw/zinc/18/08/31/216180831.db2.gz MVGHZEJRLQRHKP-QGZVFWFLSA-N 1 1 338.455 3.472 40 0 EGABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2c(F)cccc2F)C1 ZINC000225736839 242013169 /nfs/dbraw/zinc/01/31/69/242013169.db2.gz MGMMJYHQDRAGKU-LBPRGKRZSA-N 1 1 327.444 3.373 40 0 EGABMO COc1ccccc1COC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000252537133 243854043 /nfs/dbraw/zinc/85/40/43/243854043.db2.gz KKFLYCQTSJXWSB-PMACEKPBSA-N 1 1 341.451 3.410 40 0 EGABMO Cc1nc([C@@]2(C)CCC[N@H+](C3CCN(C)CC3)C2)c2sccn12 ZINC000257243759 244251393 /nfs/dbraw/zinc/25/13/93/244251393.db2.gz IILHUFJRAIOJNO-SFHVURJKSA-N 1 1 332.517 3.152 40 0 EGABMO Cc1nc([C@@]2(C)CCCN(C3CC[NH+](C)CC3)C2)c2sccn12 ZINC000257243759 244251396 /nfs/dbraw/zinc/25/13/96/244251396.db2.gz IILHUFJRAIOJNO-SFHVURJKSA-N 1 1 332.517 3.152 40 0 EGABMO c1c2ccccc2sc1C[N@@H+]1CCOC[C@H](Cc2ccncn2)C1 ZINC000257242132 244246532 /nfs/dbraw/zinc/24/65/32/244246532.db2.gz IBFUFSWPUYPWDF-OAHLLOKOSA-N 1 1 339.464 3.382 40 0 EGABMO Cc1nc([C@H]2CCC[N@@H+]2C)cc(N2CC3(CCCCC3)OC2=O)n1 ZINC000257268958 244368649 /nfs/dbraw/zinc/36/86/49/244368649.db2.gz MNYCGTLLQGJNGX-OAHLLOKOSA-N 1 1 330.432 3.211 40 0 EGABMO CC1(C)Cc2cc(C[N@H+]3CC[C@H](C(=O)NC4CCCC4)C3)ccc2O1 ZINC000019750390 212062187 /nfs/dbraw/zinc/06/21/87/212062187.db2.gz WBHWHTYMZSWIAK-INIZCTEOSA-N 1 1 342.483 3.281 40 0 EGABMO COc1ccccc1C[N@H+]1CC[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000019570067 212043351 /nfs/dbraw/zinc/04/33/51/212043351.db2.gz LWQHMTRTOAERJW-MRXNPFEDSA-N 1 1 336.395 3.130 40 0 EGABMO Cc1nc([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)[nH]c(=O)c1C ZINC000019555400 212041609 /nfs/dbraw/zinc/04/16/09/212041609.db2.gz VSUOLXNMFRNOHY-AWEZNQCLSA-N 1 1 333.382 3.045 40 0 EGABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)[nH]c(=O)c1C ZINC000019555400 212041611 /nfs/dbraw/zinc/04/16/11/212041611.db2.gz VSUOLXNMFRNOHY-AWEZNQCLSA-N 1 1 333.382 3.045 40 0 EGABMO OCC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(Cl)c1Cl ZINC000019292606 212012943 /nfs/dbraw/zinc/01/29/43/212012943.db2.gz RMKVILGTPGRSHW-KBPBESRZSA-N 1 1 329.271 3.024 40 0 EGABMO CC(C)c1ncc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cn1 ZINC000012240669 211327769 /nfs/dbraw/zinc/32/77/69/211327769.db2.gz JBXLEMQUUULUFJ-UHFFFAOYSA-N 1 1 329.419 3.223 40 0 EGABMO CCCc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)s1 ZINC000012116996 211296708 /nfs/dbraw/zinc/29/67/08/211296708.db2.gz CYZKXPXHBSPDMM-RTHVDDQRSA-N 1 1 345.512 3.449 40 0 EGABMO C[N@H+]1CCC[C@@H](CNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000009876554 211130145 /nfs/dbraw/zinc/13/01/45/211130145.db2.gz GAHALRUJSWSMDI-NSHDSACASA-N 1 1 331.407 3.334 40 0 EGABMO CCn1c(SCCn2cc[nH+]c2C)nc2scc(C)c2c1=O ZINC000095453258 218397708 /nfs/dbraw/zinc/39/77/08/218397708.db2.gz QWMDAGJADLMMRM-UHFFFAOYSA-N 1 1 334.470 3.084 40 0 EGABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000072227922 257685968 /nfs/dbraw/zinc/68/59/68/257685968.db2.gz MZOHOFIWGRDEFC-LSDHHAIUSA-N 1 1 337.206 3.417 40 0 EGABMO C[C@@]1([NH+]2CCCCC2)COc2ccc(Br)cc2[C@@H]1O ZINC000005534877 274452395 /nfs/dbraw/zinc/45/23/95/274452395.db2.gz NLDQZKXOEPFGRX-LSDHHAIUSA-N 1 1 326.234 3.120 40 0 EGABMO CN(C)C(=O)c1sc2nccnc2c1[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000257276427 289035054 /nfs/dbraw/zinc/03/50/54/289035054.db2.gz NTSIIHZMJONEDW-LBPRGKRZSA-N 1 1 344.484 3.125 40 0 EGABMO CCc1nsc(N2CC[NH+](C/C(C)=C/c3ccccc3)CC2)n1 ZINC000539835937 314344041 /nfs/dbraw/zinc/34/40/41/314344041.db2.gz XSPBCPGUJBEWAY-FYWRMAATSA-N 1 1 328.485 3.326 40 0 EGABMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1cccc2ncccc21 ZINC000572331705 317321184 /nfs/dbraw/zinc/32/11/84/317321184.db2.gz QPPFNQHUTMBKHP-IBGZPJMESA-N 1 1 347.418 3.030 40 0 EGABMO FC(F)Oc1ccc([C@@H]2C[N@H+](CCc3ccncc3)CCO2)cc1 ZINC000239882129 455263533 /nfs/dbraw/zinc/26/35/33/455263533.db2.gz DALSXYWHKHHUOL-KRWDZBQOSA-N 1 1 334.366 3.299 40 0 EGABMO FC(F)Oc1ccc([C@@H]2C[N@@H+](CCc3ccncc3)CCO2)cc1 ZINC000239882129 455263539 /nfs/dbraw/zinc/26/35/39/455263539.db2.gz DALSXYWHKHHUOL-KRWDZBQOSA-N 1 1 334.366 3.299 40 0 EGABMO Oc1ccccc1N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000012597028 453380768 /nfs/dbraw/zinc/38/07/68/453380768.db2.gz QVOAAHVBLPXCLB-UHFFFAOYSA-N 1 1 335.407 3.369 40 0 EGABMO Cc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)[NH+](C)C)o1 ZINC000015860135 453587521 /nfs/dbraw/zinc/58/75/21/453587521.db2.gz NCFFRLNRKILVCX-QGZVFWFLSA-N 1 1 330.428 3.003 40 0 EGABMO C[NH2+]CCCNCc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000016362763 453602619 /nfs/dbraw/zinc/60/26/19/453602619.db2.gz POGKQCBLKFGZBQ-UHFFFAOYSA-N 1 1 328.456 3.282 40 0 EGABMO Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000026781095 453805590 /nfs/dbraw/zinc/80/55/90/453805590.db2.gz WQULKHFGSILLEC-BBWFWOEESA-N 1 1 335.488 3.141 40 0 EGABMO Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000026781095 453805591 /nfs/dbraw/zinc/80/55/91/453805591.db2.gz WQULKHFGSILLEC-BBWFWOEESA-N 1 1 335.488 3.141 40 0 EGABMO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CSc3ccccc3)C2)no1 ZINC000075965072 453942626 /nfs/dbraw/zinc/94/26/26/453942626.db2.gz IBCXTFPWVITHIL-AWEZNQCLSA-N 1 1 331.441 3.036 40 0 EGABMO Cc1cc(NC(=O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)no1 ZINC000075965072 453942631 /nfs/dbraw/zinc/94/26/31/453942631.db2.gz IBCXTFPWVITHIL-AWEZNQCLSA-N 1 1 331.441 3.036 40 0 EGABMO c1sc([C@@H]2C[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]3O2)nc1C1CC1 ZINC000096045848 454268349 /nfs/dbraw/zinc/26/83/49/454268349.db2.gz YIZMWMMGLQMMPG-BHYGNILZSA-N 1 1 327.453 3.378 40 0 EGABMO c1sc([C@@H]2C[C@H]3C[N@H+](Cc4ccncc4)C[C@H]3O2)nc1C1CC1 ZINC000096045848 454268350 /nfs/dbraw/zinc/26/83/50/454268350.db2.gz YIZMWMMGLQMMPG-BHYGNILZSA-N 1 1 327.453 3.378 40 0 EGABMO O=C1CCC2(CC[NH+](Cc3nccs3)CC2)N1Cc1ccccc1 ZINC000096049415 454270922 /nfs/dbraw/zinc/27/09/22/454270922.db2.gz KOWWOVBMLNQQND-UHFFFAOYSA-N 1 1 341.480 3.300 40 0 EGABMO Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2=O)c1 ZINC000096050577 454272865 /nfs/dbraw/zinc/27/28/65/454272865.db2.gz DNXQCBLDYYXZMZ-NRFANRHFSA-N 1 1 335.451 3.015 40 0 EGABMO Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@@H]3C2=O)c1 ZINC000096053706 454272895 /nfs/dbraw/zinc/27/28/95/454272895.db2.gz KHJFZBNVKOHTJU-ICSRJNTNSA-N 1 1 338.426 3.225 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccoc2)C[C@]12CCN(c1cccnc1)C2 ZINC000096051123 454273208 /nfs/dbraw/zinc/27/32/08/454273208.db2.gz ASTQOGNBZWPPLS-KRWDZBQOSA-N 1 1 333.382 3.412 40 0 EGABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccccn3)C[C@@H]21 ZINC000096054592 454274488 /nfs/dbraw/zinc/27/44/88/454274488.db2.gz TVANRJKGPVDAOX-VDZJLULYSA-N 1 1 339.439 3.047 40 0 EGABMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2c[nH+]c(N)c(C)c2)cc1 ZINC000072218478 454274920 /nfs/dbraw/zinc/27/49/20/454274920.db2.gz HTQRWCZZGMBSLY-QGZVFWFLSA-N 1 1 345.468 3.197 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@H]3CCN(C(=O)c4cscn4)C[C@H]3C2)s1 ZINC000096054144 454274902 /nfs/dbraw/zinc/27/49/02/454274902.db2.gz FJIIVABBLOHGPL-ZIAGYGMSSA-N 1 1 347.509 3.107 40 0 EGABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072227185 454275784 /nfs/dbraw/zinc/27/57/84/454275784.db2.gz BZQVIAOEIKRZBI-CABCVRRESA-N 1 1 336.313 3.129 40 0 EGABMO c1cncc(C[N@H+]2CCc3c(COCc4ccncc4)cncc3C2)c1 ZINC000096059332 454276846 /nfs/dbraw/zinc/27/68/46/454276846.db2.gz UZGXOTLLYUKEAS-UHFFFAOYSA-N 1 1 346.434 3.147 40 0 EGABMO c1cncc(C[N@@H+]2CCc3c(COCc4ccncc4)cncc3C2)c1 ZINC000096059332 454276850 /nfs/dbraw/zinc/27/68/50/454276850.db2.gz UZGXOTLLYUKEAS-UHFFFAOYSA-N 1 1 346.434 3.147 40 0 EGABMO c1csc(C[NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)n1 ZINC000096106459 454284930 /nfs/dbraw/zinc/28/49/30/454284930.db2.gz LVGLUAYYXYYMFU-INIZCTEOSA-N 1 1 336.501 3.188 40 0 EGABMO Cc1nc(COCc2cnc3n2CC[N@H+](C2CCC2)[C@H]3C)cs1 ZINC000096109877 454285674 /nfs/dbraw/zinc/28/56/74/454285674.db2.gz SAHSHNFODACYOZ-LBPRGKRZSA-N 1 1 332.473 3.294 40 0 EGABMO Cc1nc(COCc2cnc3n2CC[N@@H+](C2CCC2)[C@H]3C)cs1 ZINC000096109877 454285677 /nfs/dbraw/zinc/28/56/77/454285677.db2.gz SAHSHNFODACYOZ-LBPRGKRZSA-N 1 1 332.473 3.294 40 0 EGABMO Cc1nc(COCc2cnc3n2CC[N@@H+](CC2CC2)[C@@H]3C)cs1 ZINC000096109868 454285842 /nfs/dbraw/zinc/28/58/42/454285842.db2.gz MBBHHAWKRZUKNV-GFCCVEGCSA-N 1 1 332.473 3.151 40 0 EGABMO Cc1nc(COCc2cnc3n2CC[N@H+](CC2CC2)[C@@H]3C)cs1 ZINC000096109868 454285849 /nfs/dbraw/zinc/28/58/49/454285849.db2.gz MBBHHAWKRZUKNV-GFCCVEGCSA-N 1 1 332.473 3.151 40 0 EGABMO C[C@@H]1c2ncc(COCc3ccccn3)n2CC[N@@H+]1C1CCCC1 ZINC000096109906 454286116 /nfs/dbraw/zinc/28/61/16/454286116.db2.gz MWCRZBHWPRKFFQ-OAHLLOKOSA-N 1 1 326.444 3.314 40 0 EGABMO C[C@@H]1c2ncc(COCc3ccccn3)n2CC[N@H+]1C1CCCC1 ZINC000096109906 454286121 /nfs/dbraw/zinc/28/61/21/454286121.db2.gz MWCRZBHWPRKFFQ-OAHLLOKOSA-N 1 1 326.444 3.314 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@@H](OCc3ccccn3)[C@@H]3OCCC[C@@H]32)s1 ZINC000096110778 454287288 /nfs/dbraw/zinc/28/72/88/454287288.db2.gz WEQBCFXQPDDEFY-IPMKNSEASA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2ccncc2)s1 ZINC000096110752 454287756 /nfs/dbraw/zinc/28/77/56/454287756.db2.gz DQFLKUUURVTMFN-QZTJIDSGSA-N 1 1 341.480 3.217 40 0 EGABMO COCCO[C@H]1CC[N@@H+](Cc2csc(C)n2)[C@H]1Cc1ccccc1 ZINC000096200410 454302914 /nfs/dbraw/zinc/30/29/14/454302914.db2.gz ONUPKKHBLMAAQB-OALUTQOASA-N 1 1 346.496 3.300 40 0 EGABMO CCOC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)[N@H+]1CC1CC1 ZINC000096206701 454303767 /nfs/dbraw/zinc/30/37/67/454303767.db2.gz JPQYRLOHKNPTIF-FQEVSTJZSA-N 1 1 343.515 3.327 40 0 EGABMO c1cc(C[N@@H+]2CCC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)cs1 ZINC000096206206 454303965 /nfs/dbraw/zinc/30/39/65/454303965.db2.gz RZMQWTJIQKXPCX-OALUTQOASA-N 1 1 344.480 3.483 40 0 EGABMO CCOC[C@@H]1CCC2(CCN(C(=O)C3=CCCC3)CC2)[N@H+]1CC1CC1 ZINC000096207856 454304257 /nfs/dbraw/zinc/30/42/57/454304257.db2.gz FAIFRRPPVSTCAM-IBGZPJMESA-N 1 1 346.515 3.369 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](OCC4CCOCC4)CO3)C2)o1 ZINC000096208528 454305519 /nfs/dbraw/zinc/30/55/19/454305519.db2.gz KXEZBGISYPFPTD-PMACEKPBSA-N 1 1 349.471 3.155 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccncc2)C[C@]12CCN(c1ccccn1)C2 ZINC000096239614 454310791 /nfs/dbraw/zinc/31/07/91/454310791.db2.gz UNMFVVJFTBGMOU-SFHVURJKSA-N 1 1 344.409 3.214 40 0 EGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000047227699 454343539 /nfs/dbraw/zinc/34/35/39/454343539.db2.gz DQKXKXMGBGNMCP-UHFFFAOYSA-N 1 1 344.842 3.102 40 0 EGABMO COC(=O)c1cccn1C1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000096444994 454351742 /nfs/dbraw/zinc/35/17/42/454351742.db2.gz VNENAEABWPDEFQ-UHFFFAOYSA-N 1 1 333.819 3.160 40 0 EGABMO Cc1nc(C(C)(C)[NH2+]CC(=O)N2CCc3ccccc32)sc1C ZINC000096443571 454351997 /nfs/dbraw/zinc/35/19/97/454351997.db2.gz IBIAIFUGVZYVJO-UHFFFAOYSA-N 1 1 329.469 3.174 40 0 EGABMO O=C(NC[C@H]1OCCc2sccc21)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000096452104 454356711 /nfs/dbraw/zinc/35/67/11/454356711.db2.gz KSSKTVGDDGZSGT-RHSMWYFYSA-N 1 1 348.512 3.133 40 0 EGABMO Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1-c1ncco1 ZINC000096499969 454372031 /nfs/dbraw/zinc/37/20/31/454372031.db2.gz GZBLVEITZRGLMC-QGZVFWFLSA-N 1 1 342.443 3.454 40 0 EGABMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccco1 ZINC000097232237 454428813 /nfs/dbraw/zinc/42/88/13/454428813.db2.gz NFZAZTFUNYIKFF-HOCLYGCPSA-N 1 1 327.428 3.150 40 0 EGABMO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000097380079 454436351 /nfs/dbraw/zinc/43/63/51/454436351.db2.gz JGWAQJZQXKQPHZ-CQSZACIVSA-N 1 1 331.441 3.123 40 0 EGABMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000097380079 454436355 /nfs/dbraw/zinc/43/63/55/454436355.db2.gz JGWAQJZQXKQPHZ-CQSZACIVSA-N 1 1 331.441 3.123 40 0 EGABMO CCOC[C@@H](O)C[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000245338780 455282406 /nfs/dbraw/zinc/28/24/06/455282406.db2.gz ONIHBFNKQYVQDW-RDJZCZTQSA-N 1 1 349.862 3.264 40 0 EGABMO Fc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCc1ccncc1)CS2 ZINC000247511448 455615987 /nfs/dbraw/zinc/61/59/87/455615987.db2.gz IKHFJEGZZQXYQF-QGZVFWFLSA-N 1 1 344.455 3.497 40 0 EGABMO Cc1cccc(COC[C@H]2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccoc2)n1 ZINC000247856600 455650209 /nfs/dbraw/zinc/65/02/09/455650209.db2.gz CZWQYHYUTLZTIG-SXLOBPIMSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1cccc(COC[C@H]2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccoc2)n1 ZINC000247856600 455650213 /nfs/dbraw/zinc/65/02/13/455650213.db2.gz CZWQYHYUTLZTIG-SXLOBPIMSA-N 1 1 342.439 3.179 40 0 EGABMO c1cc2c(cccc2C[NH+]2CC3(C2)OCC[C@H]3COc2cccnc2)[nH]1 ZINC000248070466 455678120 /nfs/dbraw/zinc/67/81/20/455678120.db2.gz GQECRGFSDJYTRH-KRWDZBQOSA-N 1 1 349.434 3.233 40 0 EGABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccccn3)C[C@@H]21 ZINC000248140300 455687504 /nfs/dbraw/zinc/68/75/04/455687504.db2.gz TVANRJKGPVDAOX-HHXXYDBFSA-N 1 1 339.439 3.047 40 0 EGABMO CC(C)(C)n1ncnc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000253392406 455838289 /nfs/dbraw/zinc/83/82/89/455838289.db2.gz SVMWKCIUZXUFLZ-HZPDHXFCSA-N 1 1 346.475 3.494 40 0 EGABMO CC(C)(C)n1ncnc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000253392406 455838292 /nfs/dbraw/zinc/83/82/92/455838292.db2.gz SVMWKCIUZXUFLZ-HZPDHXFCSA-N 1 1 346.475 3.494 40 0 EGABMO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ncnn1-c1ccccc1)c1ccccc1 ZINC000253396486 455839550 /nfs/dbraw/zinc/83/95/50/455839550.db2.gz HVDZCRJBEOHLHJ-UXHICEINSA-N 1 1 348.450 3.355 40 0 EGABMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1ncnn1-c1ccccc1)c1ccccc1 ZINC000253396486 455839554 /nfs/dbraw/zinc/83/95/54/455839554.db2.gz HVDZCRJBEOHLHJ-UXHICEINSA-N 1 1 348.450 3.355 40 0 EGABMO c1nc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)oc1C1CC1 ZINC000253416137 455841260 /nfs/dbraw/zinc/84/12/60/455841260.db2.gz XFZYBIMIRBEERV-HNNXBMFYSA-N 1 1 341.459 3.250 40 0 EGABMO c1nc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)oc1C1CC1 ZINC000253416137 455841265 /nfs/dbraw/zinc/84/12/65/455841265.db2.gz XFZYBIMIRBEERV-HNNXBMFYSA-N 1 1 341.459 3.250 40 0 EGABMO C[C@@H]1CN(c2nccc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)n2)C[C@@H](C)O1 ZINC000253603297 455854585 /nfs/dbraw/zinc/85/45/85/455854585.db2.gz JSRKLFWAMGIZPM-VXIBKDFQSA-N 1 1 344.503 3.245 40 0 EGABMO Cc1n[nH]cc1C[N@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257291827 455883666 /nfs/dbraw/zinc/88/36/66/455883666.db2.gz QIUBXPSWBPUCBG-MRXNPFEDSA-N 1 1 325.412 3.155 40 0 EGABMO C[N@H+]1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCN2C(=O)c1ccccn1 ZINC000257289093 455883932 /nfs/dbraw/zinc/88/39/32/455883932.db2.gz PWYUEPDWOWOZPH-IHPCNDPISA-N 1 1 335.451 3.174 40 0 EGABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2c2nc(C)cc(C)n2)n1 ZINC000257316895 455890205 /nfs/dbraw/zinc/89/02/05/455890205.db2.gz VHMCZCFJSXRFGE-QGZVFWFLSA-N 1 1 334.427 3.324 40 0 EGABMO CCn1cc(C[NH+]2CC3(C2)CO[C@H](Cc2cccc(F)c2)C3)c(C)n1 ZINC000257319102 455890895 /nfs/dbraw/zinc/89/08/95/455890895.db2.gz VQSQELBEUVCGRL-LJQANCHMSA-N 1 1 343.446 3.184 40 0 EGABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2)n1 ZINC000257322668 455892188 /nfs/dbraw/zinc/89/21/88/455892188.db2.gz WGXYLDUXUFMKEC-IBGZPJMESA-N 1 1 327.403 3.194 40 0 EGABMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC=CCC2)C[C@@H](C)O1 ZINC000195529220 455979833 /nfs/dbraw/zinc/97/98/33/455979833.db2.gz PSJNSYUHWJLTFE-KZNAEPCWSA-N 1 1 342.483 3.268 40 0 EGABMO O[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000195531631 455980784 /nfs/dbraw/zinc/98/07/84/455980784.db2.gz FYWXAYKYZVMEJI-AEFFLSMTSA-N 1 1 349.427 3.452 40 0 EGABMO O[C@@H]1CCC[N@@H+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000195531631 455980792 /nfs/dbraw/zinc/98/07/92/455980792.db2.gz FYWXAYKYZVMEJI-AEFFLSMTSA-N 1 1 349.427 3.452 40 0 EGABMO CCC(=O)N1CC[C@@H](N[C@H](C[NH+]2CCC(C)CC2)c2cccs2)C1 ZINC000195560744 455984607 /nfs/dbraw/zinc/98/46/07/455984607.db2.gz REECEDYQQWGGIK-IAGOWNOFSA-N 1 1 349.544 3.122 40 0 EGABMO COc1ccc(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1C ZINC000224222744 456065295 /nfs/dbraw/zinc/06/52/95/456065295.db2.gz JARCFVQIHZBFRH-UHFFFAOYSA-N 1 1 349.434 3.357 40 0 EGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(C)cn1 ZINC000225451740 456084735 /nfs/dbraw/zinc/08/47/35/456084735.db2.gz UDJGWUFDKDCIMQ-UHFFFAOYSA-N 1 1 337.452 3.371 40 0 EGABMO O=C(NCCn1cc[nH+]c1C1CC1)c1ccccc1OC(F)(F)F ZINC000225567397 456092942 /nfs/dbraw/zinc/09/29/42/456092942.db2.gz JFQOIKJFWPOLOL-UHFFFAOYSA-N 1 1 339.317 3.089 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(F)c(C)c1 ZINC000225607832 456096978 /nfs/dbraw/zinc/09/69/78/456096978.db2.gz YIAROUQGBYFFDE-HNNXBMFYSA-N 1 1 342.480 3.067 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)N(CC2CC2)C(=O)c2cccn23)s1 ZINC000306140786 456567911 /nfs/dbraw/zinc/56/79/11/456567911.db2.gz VEGHYFWRUAUWIC-ROUUACIJSA-N 1 1 341.480 3.149 40 0 EGABMO C[N@@H+]1CC[C@@H](COc2ccccn2)CC12CN(CC1CCCC1)C2 ZINC000585103476 459823950 /nfs/dbraw/zinc/82/39/50/459823950.db2.gz XHXBBTNTTXRYKH-GOSISDBHSA-N 1 1 329.488 3.047 40 0 EGABMO C[N@H+]1CC[C@@H](COc2ccccn2)CC12CN(CC1CCCC1)C2 ZINC000585103476 459823954 /nfs/dbraw/zinc/82/39/54/459823954.db2.gz XHXBBTNTTXRYKH-GOSISDBHSA-N 1 1 329.488 3.047 40 0 EGABMO Cc1ccccc1OC[C@@]1(O)COCC[N@H+](C2CCCCCC2)C1 ZINC000585276410 459832087 /nfs/dbraw/zinc/83/20/87/459832087.db2.gz OJDSMCWWMTZFAX-FQEVSTJZSA-N 1 1 333.472 3.160 40 0 EGABMO C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1Br ZINC000004276586 210160182 /nfs/dbraw/zinc/16/01/82/210160182.db2.gz NVTVIELDMOSXEN-OLZOCXBDSA-N 1 1 328.250 3.063 40 0 EGABMO Cn1c(C[NH2+]Cc2ccc(N3CCCCC3)nc2)nc2ccccc21 ZINC000066973111 215100225 /nfs/dbraw/zinc/10/02/25/215100225.db2.gz PMLSMLJNXRVKDS-UHFFFAOYSA-N 1 1 335.455 3.248 40 0 EGABMO COc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1Br ZINC000072324723 216151643 /nfs/dbraw/zinc/15/16/43/216151643.db2.gz FHEYWCHCHCCOSJ-TZMCWYRMSA-N 1 1 339.277 3.126 40 0 EGABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072349507 216160340 /nfs/dbraw/zinc/16/03/40/216160340.db2.gz CENJUGQCHHZRGX-HNNXBMFYSA-N 1 1 341.430 3.155 40 0 EGABMO c1cncc(Oc2nccnc2[C@H]2CCC[N@@H+](C3CCOCC3)C2)c1 ZINC000072384252 216185076 /nfs/dbraw/zinc/18/50/76/216185076.db2.gz GUWHMBUXCIMZMS-HNNXBMFYSA-N 1 1 340.427 3.022 40 0 EGABMO c1cc2n(c1)[C@H](CCOc1ccccn1)C[N@@H+](CC1CCOCC1)C2 ZINC000253588697 244026921 /nfs/dbraw/zinc/02/69/21/244026921.db2.gz OVMDOAFXWSENPJ-LJQANCHMSA-N 1 1 341.455 3.136 40 0 EGABMO c1cc2n(n1)[C@@H](COCc1ccncc1)C[N@H+](CCc1ccccc1)C2 ZINC000253595957 244029231 /nfs/dbraw/zinc/02/92/31/244029231.db2.gz LJFCKAJZUNJAEE-OAQYLSRUSA-N 1 1 348.450 3.094 40 0 EGABMO c1cc2n(n1)[C@@H](COCc1ccncc1)C[N@@H+](CCc1ccccc1)C2 ZINC000253595957 244029235 /nfs/dbraw/zinc/02/92/35/244029235.db2.gz LJFCKAJZUNJAEE-OAQYLSRUSA-N 1 1 348.450 3.094 40 0 EGABMO c1cc2n(n1)[C@H](COCc1ccncc1)C[N@H+](CCc1ccccc1)C2 ZINC000253595956 244029554 /nfs/dbraw/zinc/02/95/54/244029554.db2.gz LJFCKAJZUNJAEE-NRFANRHFSA-N 1 1 348.450 3.094 40 0 EGABMO c1cc2n(n1)[C@H](COCc1ccncc1)C[N@@H+](CCc1ccccc1)C2 ZINC000253595956 244029560 /nfs/dbraw/zinc/02/95/60/244029560.db2.gz LJFCKAJZUNJAEE-NRFANRHFSA-N 1 1 348.450 3.094 40 0 EGABMO Cc1cccc(N2CCC[C@H](N(C)C(=O)c3n[nH]c4ccccc43)C2)[nH+]1 ZINC000257210410 244149281 /nfs/dbraw/zinc/14/92/81/244149281.db2.gz BUMMAVSAQGEONB-HNNXBMFYSA-N 1 1 349.438 3.007 40 0 EGABMO Cc1nn(C)c(C)c1C[N@H+]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000257232528 244217460 /nfs/dbraw/zinc/21/74/60/244217460.db2.gz GLGCRCORCPTJSW-PMOLBWCYSA-N 1 1 339.483 3.464 40 0 EGABMO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)CC[C@@]12CCCO2 ZINC000257237153 244232766 /nfs/dbraw/zinc/23/27/66/244232766.db2.gz HFISYHIYSSTHRW-QUCCMNQESA-N 1 1 346.471 3.018 40 0 EGABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(C)C)cc2)CC[C@@]12CCCO2 ZINC000257237153 244232769 /nfs/dbraw/zinc/23/27/69/244232769.db2.gz HFISYHIYSSTHRW-QUCCMNQESA-N 1 1 346.471 3.018 40 0 EGABMO CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](C)C1 ZINC000019528726 212039199 /nfs/dbraw/zinc/03/91/99/212039199.db2.gz WWNDVZCWVMALKD-HXUWFJFHSA-N 1 1 341.455 3.041 40 0 EGABMO Fc1cccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)c1F ZINC000019292701 212012746 /nfs/dbraw/zinc/01/27/46/212012746.db2.gz CSUQIKDATUFUDA-AWEZNQCLSA-N 1 1 342.349 3.399 40 0 EGABMO Cc1cnc(-c2nc([C@@H]3CCC[N@@H+](Cc4cccs4)C3)no2)cn1 ZINC000019239034 212008337 /nfs/dbraw/zinc/00/83/37/212008337.db2.gz HOGJHMAFALPUKW-CYBMUJFWSA-N 1 1 341.440 3.276 40 0 EGABMO Fc1ccc(C[NH2+]C2CCN(CCc3ccncc3)CC2)c(F)c1 ZINC000078394255 217046830 /nfs/dbraw/zinc/04/68/30/217046830.db2.gz CXDGVZPJCJTAKA-UHFFFAOYSA-N 1 1 331.410 3.157 40 0 EGABMO Cc1noc(C)c1[C@@H](C)NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000079305990 217205702 /nfs/dbraw/zinc/20/57/02/217205702.db2.gz CRYZXJZMXPKULD-CQSZACIVSA-N 1 1 344.459 3.174 40 0 EGABMO COc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ccccn1 ZINC000012089059 211289773 /nfs/dbraw/zinc/28/97/73/211289773.db2.gz CPIROOGUEBTRPA-HTZLVSCSSA-N 1 1 338.451 3.210 40 0 EGABMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000092063918 218113637 /nfs/dbraw/zinc/11/36/37/218113637.db2.gz BEODXIGPQVXJIN-NTDBCUBYSA-N 1 1 329.465 3.248 40 0 EGABMO C[C@@H]([C@H](O)c1cc2c(c3ccccc31)CCCC2)[NH+]1CCOCC1 ZINC000031912068 274275352 /nfs/dbraw/zinc/27/53/52/274275352.db2.gz QIPKXIYOBUBCAW-BTYIYWSLSA-N 1 1 325.452 3.473 40 0 EGABMO COc1ccc2[nH]cc(C3CC[NH+](Cc4cnns4)CC3)c2c1 ZINC000289250214 276311131 /nfs/dbraw/zinc/31/11/31/276311131.db2.gz BISURCWUYVVNKP-UHFFFAOYSA-N 1 1 328.441 3.408 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](CC3CCOCC3)CC[C@@H]2OC)cc1 ZINC000096110581 295141370 /nfs/dbraw/zinc/14/13/70/295141370.db2.gz XLSBUKPKYJNEFS-ICSRJNTNSA-N 1 1 333.472 3.001 40 0 EGABMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000097230915 323215260 /nfs/dbraw/zinc/21/52/60/323215260.db2.gz OAJOQUIFTPQXQU-INIZCTEOSA-N 1 1 349.906 3.240 40 0 EGABMO COc1ccc2c(c1OC)-c1c(O)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000001651264 452672987 /nfs/dbraw/zinc/67/29/87/452672987.db2.gz IDQUPXZJURZAGF-ZDUSSCGKSA-N 1 1 341.407 3.170 40 0 biogenic,in-vitro EGABMO COc1ccc2c(c1OC)-c1c(O)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000001651264 452672997 /nfs/dbraw/zinc/67/29/97/452672997.db2.gz IDQUPXZJURZAGF-ZDUSSCGKSA-N 1 1 341.407 3.170 40 0 biogenic,in-vitro EGABMO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H]3c3cccs3)nc12 ZINC000007989572 453146169 /nfs/dbraw/zinc/14/61/69/453146169.db2.gz FVQBSTGKTIPAER-OAHLLOKOSA-N 1 1 325.437 3.402 40 0 EGABMO COc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000013048347 453442137 /nfs/dbraw/zinc/44/21/37/453442137.db2.gz OKJWXULCMJUFSK-UHFFFAOYSA-N 1 1 325.412 3.045 40 0 EGABMO Cc1ccc(OCC[N@@H+](C)CC(=O)Nc2ccc(F)cc2F)cc1 ZINC000014084541 453503707 /nfs/dbraw/zinc/50/37/07/453503707.db2.gz HVTFJPGADKGWAE-UHFFFAOYSA-N 1 1 334.366 3.223 40 0 EGABMO Cc1ccc(OCC[N@H+](C)CC(=O)Nc2ccc(F)cc2F)cc1 ZINC000014084541 453503710 /nfs/dbraw/zinc/50/37/10/453503710.db2.gz HVTFJPGADKGWAE-UHFFFAOYSA-N 1 1 334.366 3.223 40 0 EGABMO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@H+]2CCOCc1ccccc1 ZINC000019711634 453658287 /nfs/dbraw/zinc/65/82/87/453658287.db2.gz WRQCQFFTKUTJAJ-VQTJNVASSA-N 1 1 330.472 3.069 40 0 EGABMO Cc1csc2nc(C[N@H+]3CCC[C@@H]3Cc3ccccc3)cc(=O)n12 ZINC000025440488 453772833 /nfs/dbraw/zinc/77/28/33/453772833.db2.gz DRCNYXUFZAARHI-QGZVFWFLSA-N 1 1 339.464 3.272 40 0 EGABMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC000075680378 453918319 /nfs/dbraw/zinc/91/83/19/453918319.db2.gz AKTJVUMWCNIFFO-GFCCVEGCSA-N 1 1 325.840 3.082 40 0 EGABMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000075680378 453918321 /nfs/dbraw/zinc/91/83/21/453918321.db2.gz AKTJVUMWCNIFFO-GFCCVEGCSA-N 1 1 325.840 3.082 40 0 EGABMO c1c[nH+]c([C@@H]2CCCN(c3nc(-c4ccncc4)nc4c3CCC4)C2)[nH]1 ZINC000075721741 453922206 /nfs/dbraw/zinc/92/22/06/453922206.db2.gz AHZSCZMYDLZSFZ-OAHLLOKOSA-N 1 1 346.438 3.134 40 0 EGABMO Cc1cc(Cl)ccc1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000076329938 453989478 /nfs/dbraw/zinc/98/94/78/453989478.db2.gz FLWYAAQZEHSVJX-HNNXBMFYSA-N 1 1 339.867 3.007 40 0 EGABMO Cc1ccccc1C[N@H+]1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1 ZINC000085436206 454028987 /nfs/dbraw/zinc/02/89/87/454028987.db2.gz NWIQGBLTEAQZOQ-LJQANCHMSA-N 1 1 327.472 3.250 40 0 biogenic,in-vitro EGABMO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089840224 454213957 /nfs/dbraw/zinc/21/39/57/454213957.db2.gz BBGBYZXSXPHFRV-OAHLLOKOSA-N 1 1 325.456 3.418 40 0 EGABMO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089840224 454213960 /nfs/dbraw/zinc/21/39/60/454213960.db2.gz BBGBYZXSXPHFRV-OAHLLOKOSA-N 1 1 325.456 3.418 40 0 EGABMO Cc1ccc(C[N@H+]2Cc3c(cnn3C)[C@H](COCC3CC3)C2)s1 ZINC000096044638 454268059 /nfs/dbraw/zinc/26/80/59/454268059.db2.gz UBMJFFZKKNYPHW-HNNXBMFYSA-N 1 1 331.485 3.316 40 0 EGABMO Cc1ccc(C[N@@H+]2Cc3c(cnn3C)[C@H](COCC3CC3)C2)s1 ZINC000096044638 454268063 /nfs/dbraw/zinc/26/80/63/454268063.db2.gz UBMJFFZKKNYPHW-HNNXBMFYSA-N 1 1 331.485 3.316 40 0 EGABMO Clc1cccc(C[N@@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)c1 ZINC000096046137 454268180 /nfs/dbraw/zinc/26/81/80/454268180.db2.gz VMGHPXJHWKNBGX-BMGDILEWSA-N 1 1 329.831 3.482 40 0 EGABMO Clc1cccc(C[N@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)c1 ZINC000096046137 454268185 /nfs/dbraw/zinc/26/81/85/454268185.db2.gz VMGHPXJHWKNBGX-BMGDILEWSA-N 1 1 329.831 3.482 40 0 EGABMO Cn1cc(C[N@@H+]2CC[C@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)cn1 ZINC000096046307 454269708 /nfs/dbraw/zinc/26/97/08/454269708.db2.gz LPGPBLHAGRQEJI-BHYGNILZSA-N 1 1 344.484 3.106 40 0 EGABMO Cn1cc(C[N@H+]2CC[C@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)cn1 ZINC000096046307 454269713 /nfs/dbraw/zinc/26/97/13/454269713.db2.gz LPGPBLHAGRQEJI-BHYGNILZSA-N 1 1 344.484 3.106 40 0 EGABMO O=C(c1ccsc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096046960 454269755 /nfs/dbraw/zinc/26/97/55/454269755.db2.gz HBXDKVYTUUJPAM-LJQANCHMSA-N 1 1 341.480 3.271 40 0 EGABMO COc1ccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccco4)C3)C2)cc1 ZINC000096047600 454270244 /nfs/dbraw/zinc/27/02/44/454270244.db2.gz PLQCHCGIHJJJDF-APWZRJJASA-N 1 1 328.412 3.134 40 0 EGABMO Fc1ccc(C[N@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1 ZINC000096048255 454271474 /nfs/dbraw/zinc/27/14/74/454271474.db2.gz MYFJIVPLFJRIFS-PMACEKPBSA-N 1 1 342.414 3.423 40 0 EGABMO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](Cc1ccoc1)C2 ZINC000096050613 454273107 /nfs/dbraw/zinc/27/31/07/454273107.db2.gz KLQBEMKVNCVWMV-IBGZPJMESA-N 1 1 328.387 3.043 40 0 EGABMO Fc1ccc(CN2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096055150 454275032 /nfs/dbraw/zinc/27/50/32/454275032.db2.gz SKEOIBJYTBPYOI-UYAOXDASSA-N 1 1 344.405 3.302 40 0 EGABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072227182 454275481 /nfs/dbraw/zinc/27/54/81/454275481.db2.gz BZQVIAOEIKRZBI-LSDHHAIUSA-N 1 1 336.313 3.129 40 0 EGABMO [NH3+][C@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(Br)cc1 ZINC000072227625 454275646 /nfs/dbraw/zinc/27/56/46/454275646.db2.gz ZAGMJNQAJBQSOX-KGLIPLIRSA-N 1 1 335.176 3.003 40 0 EGABMO c1cc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)co1 ZINC000096107328 454284763 /nfs/dbraw/zinc/28/47/63/454284763.db2.gz VGYJBHSXFPIUHP-MOPGFXCFSA-N 1 1 328.412 3.015 40 0 EGABMO c1cc(C[N@@H+]2CCC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)co1 ZINC000096107506 454284908 /nfs/dbraw/zinc/28/49/08/454284908.db2.gz OYCYFZUESIUJOF-OALUTQOASA-N 1 1 328.412 3.015 40 0 EGABMO CC(C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 ZINC000096111784 454287732 /nfs/dbraw/zinc/28/77/32/454287732.db2.gz LPYKPBJUDJHAMC-HKUYNNGSSA-N 1 1 336.435 3.464 40 0 biogenic,in-vitro EGABMO CC(C)[N@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 ZINC000096111784 454287737 /nfs/dbraw/zinc/28/77/37/454287737.db2.gz LPYKPBJUDJHAMC-HKUYNNGSSA-N 1 1 336.435 3.464 40 0 biogenic,in-vitro EGABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096158082 454294449 /nfs/dbraw/zinc/29/44/49/454294449.db2.gz JXWJFGCQYHCASG-SFHVURJKSA-N 1 1 346.500 3.236 40 0 EGABMO Cc1occc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096158054 454294504 /nfs/dbraw/zinc/29/45/04/454294504.db2.gz NFIISHUBYWJQND-FQEVSTJZSA-N 1 1 339.439 3.111 40 0 EGABMO Cc1occc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096158055 454294808 /nfs/dbraw/zinc/29/48/08/454294808.db2.gz NFIISHUBYWJQND-HXUWFJFHSA-N 1 1 339.439 3.111 40 0 EGABMO Cc1cnc(N2CC[C@]3(C2)CCCC[N@H+]3Cc2cccc(C)n2)nc1 ZINC000096203150 454304085 /nfs/dbraw/zinc/30/40/85/454304085.db2.gz XSGSLHAJHRRQHZ-FQEVSTJZSA-N 1 1 337.471 3.123 40 0 EGABMO Cc1nc(CO[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccco2)C3)cs1 ZINC000096207974 454304450 /nfs/dbraw/zinc/30/44/50/454304450.db2.gz QBCPVJPNLVSKKD-MSOLQXFVSA-N 1 1 348.468 3.385 40 0 EGABMO COC[C@H]1CCC2(CCN(C(=O)c3cccs3)CC2)[N@H+]1CC1CC1 ZINC000096207864 454304598 /nfs/dbraw/zinc/30/45/98/454304598.db2.gz XWZPGPWVDSTKDO-MRXNPFEDSA-N 1 1 348.512 3.244 40 0 EGABMO c1csc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)c1 ZINC000096206677 454304639 /nfs/dbraw/zinc/30/46/39/454304639.db2.gz AYNJAYCLNMSNIV-AEFFLSMTSA-N 1 1 344.484 3.021 40 0 EGABMO CCOC[C@H]1CCC2(CCN(C(=O)C3=CCCC3)CC2)[N@H+]1CC1CC1 ZINC000096207857 454304663 /nfs/dbraw/zinc/30/46/63/454304663.db2.gz FAIFRRPPVSTCAM-LJQANCHMSA-N 1 1 346.515 3.369 40 0 EGABMO CC(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216458 454307667 /nfs/dbraw/zinc/30/76/67/454307667.db2.gz UUQYVCGNFSXBMJ-HXUWFJFHSA-N 1 1 330.472 3.036 40 0 EGABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)CC1=CCCCC1)C2 ZINC000096219886 454307927 /nfs/dbraw/zinc/30/79/27/454307927.db2.gz LLACGEDGIBOREM-PZJWPPBQSA-N 1 1 346.515 3.084 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)s1 ZINC000096239145 454310853 /nfs/dbraw/zinc/31/08/53/454310853.db2.gz KOOAVHGAMYWYIA-SFHVURJKSA-N 1 1 327.453 3.081 40 0 EGABMO Cc1nc(CN2CC[C@@]3(C2)C[N@@H+](CC2CC2)CCC3(F)F)cs1 ZINC000096239794 454311440 /nfs/dbraw/zinc/31/14/40/454311440.db2.gz DKKBWEQEWQMDDD-INIZCTEOSA-N 1 1 341.471 3.395 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccncc2)C[C@@]12CCN(c1ccccn1)C2 ZINC000096239615 454312091 /nfs/dbraw/zinc/31/20/91/454312091.db2.gz UNMFVVJFTBGMOU-GOSISDBHSA-N 1 1 344.409 3.214 40 0 EGABMO Cc1ccc2c(c1C)OC[C@H]2NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000096439815 454349863 /nfs/dbraw/zinc/34/98/63/454349863.db2.gz FWFJNYWYBOIYFF-YCXXCVGLSA-N 1 1 343.471 3.051 40 0 EGABMO COc1ccc(C[NH+]2CCSCC2)cc1OCc1cccnc1 ZINC000096489607 454368409 /nfs/dbraw/zinc/36/84/09/454368409.db2.gz YOWJOOCGJNBCRF-UHFFFAOYSA-N 1 1 330.453 3.218 40 0 EGABMO Cc1cc(CNc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)o1 ZINC000096489069 454368686 /nfs/dbraw/zinc/36/86/86/454368686.db2.gz KZBRVBVWBSHNDE-KRWDZBQOSA-N 1 1 341.455 3.206 40 0 EGABMO Cc1nccn1CCC[N@H+](C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000096489097 454368844 /nfs/dbraw/zinc/36/88/44/454368844.db2.gz ANSOOMIMEOGEIE-UHFFFAOYSA-N 1 1 325.412 3.128 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(NC(=O)CCc2cncc(F)c2)cc1F ZINC000096492175 454369520 /nfs/dbraw/zinc/36/95/20/454369520.db2.gz FNEWWLZDMUWKHC-UHFFFAOYSA-N 1 1 342.349 3.425 40 0 EGABMO Cc1cc(NC(=O)N2CCC[N@H+](C)CC2)nn1-c1ccc(Cl)cc1 ZINC000096499980 454371919 /nfs/dbraw/zinc/37/19/19/454371919.db2.gz JTAMDBOZYVYFCT-UHFFFAOYSA-N 1 1 347.850 3.004 40 0 EGABMO CSCC[C@H]([NH3+])c1nc(C2=Cc3cc(Cl)ccc3OC2)no1 ZINC000062716609 454385656 /nfs/dbraw/zinc/38/56/56/454385656.db2.gz UJKPLNBPDRWQQM-LBPRGKRZSA-N 1 1 337.832 3.409 40 0 EGABMO CO[C@H]1CCCCC[C@@H]1[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000097212899 454425544 /nfs/dbraw/zinc/42/55/44/454425544.db2.gz VHHBXTIROFSOPE-HOTGVXAUSA-N 1 1 337.489 3.096 40 0 EGABMO Cn1c2ccccc2nc1C[N@H+]1CC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000049169083 454537723 /nfs/dbraw/zinc/53/77/23/454537723.db2.gz JQNNKJCHOGZVBF-AWEZNQCLSA-N 1 1 331.423 3.439 40 0 biogenic,in-vitro EGABMO Cc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)s1 ZINC000107785611 454772968 /nfs/dbraw/zinc/77/29/68/454772968.db2.gz LTLFTHGJBMNQKT-SJLPKXTDSA-N 1 1 330.453 3.264 40 0 EGABMO O[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)C1 ZINC000110534754 454848069 /nfs/dbraw/zinc/84/80/69/454848069.db2.gz KWEIHEXHQOGGOY-UYAOXDASSA-N 1 1 343.398 3.390 40 0 EGABMO O[C@@H]1CCC[N@@H+](Cc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)C1 ZINC000110534754 454848075 /nfs/dbraw/zinc/84/80/75/454848075.db2.gz KWEIHEXHQOGGOY-UYAOXDASSA-N 1 1 343.398 3.390 40 0 EGABMO COc1ccccc1[C@H](C)C[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000252586148 455822908 /nfs/dbraw/zinc/82/29/08/455822908.db2.gz NUZPKECEMMKQQK-AJYBTWMASA-N 1 1 346.515 3.278 40 0 EGABMO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000253392360 455837390 /nfs/dbraw/zinc/83/73/90/455837390.db2.gz HIDAAGLTELPLOI-IAGOWNOFSA-N 1 1 346.450 3.260 40 0 EGABMO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000253392360 455837395 /nfs/dbraw/zinc/83/73/95/455837395.db2.gz HIDAAGLTELPLOI-IAGOWNOFSA-N 1 1 346.450 3.260 40 0 EGABMO CCCn1nccc1-c1cnc(C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257320352 455890305 /nfs/dbraw/zinc/89/03/05/455890305.db2.gz VWLCAUASZUQYPU-INIZCTEOSA-N 1 1 327.476 3.413 40 0 EGABMO CNc1cnc(C[C@H]2CCC[N@@H+](Cc3ccnn3C(C)C)CC2)cn1 ZINC000257329581 455893176 /nfs/dbraw/zinc/89/31/76/455893176.db2.gz XKOSGBALKXNPSP-INIZCTEOSA-N 1 1 342.491 3.141 40 0 EGABMO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2sccc2C)ccn1 ZINC000257344120 455896805 /nfs/dbraw/zinc/89/68/05/455896805.db2.gz ZVULTNHMEKDYID-KRWDZBQOSA-N 1 1 329.469 3.425 40 0 EGABMO CCC(=O)N1CC[C@@H](N[C@@H](C[NH+]2CCC(C)CC2)c2cccs2)C1 ZINC000195560739 455984918 /nfs/dbraw/zinc/98/49/18/455984918.db2.gz REECEDYQQWGGIK-SJORKVTESA-N 1 1 349.544 3.122 40 0 EGABMO CCCN(C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000272565520 455995838 /nfs/dbraw/zinc/99/58/38/455995838.db2.gz SPZDANOFECWWNF-AEFFLSMTSA-N 1 1 329.488 3.481 40 0 EGABMO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCCC3)CCCS2 ZINC000188459847 456066550 /nfs/dbraw/zinc/06/65/50/456066550.db2.gz HUUBKQKHEJEESK-HNNXBMFYSA-N 1 1 344.484 3.340 40 0 EGABMO Clc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc[nH]3)n2)c1 ZINC000225400394 456080095 /nfs/dbraw/zinc/08/00/95/456080095.db2.gz RACACMFJSDWKCO-INIZCTEOSA-N 1 1 343.818 3.027 40 0 biogenic,in-vitro EGABMO O=C(NCCn1cc[nH+]c1C1CC1)c1cc(Br)cs1 ZINC000225567541 456093707 /nfs/dbraw/zinc/09/37/07/456093707.db2.gz KQQWIARSFFXCRD-UHFFFAOYSA-N 1 1 340.246 3.015 40 0 EGABMO CCCC[C@@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000225693121 456104305 /nfs/dbraw/zinc/10/43/05/456104305.db2.gz LBPGTGXYRCEKLJ-WBVHZDCISA-N 1 1 345.487 3.149 40 0 EGABMO Cc1[nH+]ccn1C[C@H]1CCCN1c1ccc(OC(F)(F)F)cn1 ZINC000225712554 456105127 /nfs/dbraw/zinc/10/51/27/456105127.db2.gz FDZDOUHJIXXVOY-GFCCVEGCSA-N 1 1 326.322 3.154 40 0 EGABMO c1coc(C[N@H+]2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c1 ZINC000306139427 456568033 /nfs/dbraw/zinc/56/80/33/456568033.db2.gz SWXQOCMNNZWVDR-SFHVURJKSA-N 1 1 341.436 3.380 40 0 EGABMO c1coc(C[N@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306143743 456569677 /nfs/dbraw/zinc/56/96/77/456569677.db2.gz YLFNFIALNDUYOC-NRFANRHFSA-N 1 1 346.434 3.234 40 0 EGABMO COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000363521227 457355555 /nfs/dbraw/zinc/35/55/55/457355555.db2.gz YIUSFRMITVPAOT-IAOVAPTHSA-N 1 1 349.450 3.164 40 0 EGABMO c1cc2n(c1)C[C@@H](CCNc1ccccn1)C[N@H+](Cc1ccccn1)C2 ZINC000585095520 459822585 /nfs/dbraw/zinc/82/25/85/459822585.db2.gz VCCAYZFOWPTPGM-SFHVURJKSA-N 1 1 347.466 3.412 40 0 EGABMO Fc1cccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)c1 ZINC000585103889 459824421 /nfs/dbraw/zinc/82/44/21/459824421.db2.gz DNMPVHJVBUBHSE-GOSISDBHSA-N 1 1 344.455 3.497 40 0 EGABMO Cc1ccc(C)c(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC(C)C)C3)C2)c1 ZINC000585103946 459824427 /nfs/dbraw/zinc/82/44/27/459824427.db2.gz HKKWHYZTWIVVSY-OAQYLSRUSA-N 1 1 344.499 3.010 40 0 EGABMO CN(c1ccncn1)C1CC2(C1)CC[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC000585261366 459831506 /nfs/dbraw/zinc/83/15/06/459831506.db2.gz SJZLTPKMLHDFHU-UHFFFAOYSA-N 1 1 347.466 3.449 40 0 EGABMO Cc1ccc(CC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000129660715 533751874 /nfs/dbraw/zinc/75/18/74/533751874.db2.gz SWSJASRWIZTGPB-APWZRJJASA-N 1 1 343.496 3.193 40 0 EGABMO COc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C)C2)c(C(C)(C)C)c1 ZINC000026781134 1291280625 /nfs/dbraw/zinc/28/06/25/1291280625.db2.gz SGTHNUUVQVXDIQ-CVEARBPZSA-N 1 1 335.488 3.464 40 0 EGABMO C[N@H+]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000097617736 219042287 /nfs/dbraw/zinc/04/22/87/219042287.db2.gz ZTVOPJZMMXMXEG-UHFFFAOYSA-N 1 1 341.436 3.334 40 0 EGABMO C[C@@H](c1nccs1)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100191392 219094195 /nfs/dbraw/zinc/09/41/95/219094195.db2.gz IAIBPFGIVWSVBH-STQMWFEESA-N 1 1 325.478 3.441 40 0 EGABMO C[C@@H](c1nccs1)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100191392 219094197 /nfs/dbraw/zinc/09/41/97/219094197.db2.gz IAIBPFGIVWSVBH-STQMWFEESA-N 1 1 325.478 3.441 40 0 EGABMO C[NH+](C)Cc1cc(C[C@@H]2C[C@H](NC(=O)c3cccs3)C2(C)C)no1 ZINC000067889782 215242431 /nfs/dbraw/zinc/24/24/31/215242431.db2.gz YBCOHEMQDIPDBM-WBMJQRKESA-N 1 1 347.484 3.185 40 0 biogenic,in-vitro EGABMO Cc1cccc(-c2cccc([C@H]3CCC[N@H+](CC(=O)N(C)C)C3)n2)c1 ZINC000072349506 216160977 /nfs/dbraw/zinc/16/09/77/216160977.db2.gz WRGNNALOABKOQN-SFHVURJKSA-N 1 1 337.467 3.325 40 0 EGABMO Cc1cccc(N2CCC[C@@H](N(C)C(=O)Cc3ccsc3)C2)[nH+]1 ZINC000257214319 244159178 /nfs/dbraw/zinc/15/91/78/244159178.db2.gz CLOVOOKRRPQJIL-MRXNPFEDSA-N 1 1 329.469 3.121 40 0 EGABMO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257234509 244223231 /nfs/dbraw/zinc/22/32/31/244223231.db2.gz GTVFQBQCPVFPHP-GOSISDBHSA-N 1 1 333.439 3.175 40 0 EGABMO Cc1nc([C@H]2CCCC[NH2+]2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000257241894 244243971 /nfs/dbraw/zinc/24/39/71/244243971.db2.gz IACMDJLVVUKFQL-QGZVFWFLSA-N 1 1 336.439 3.079 40 0 EGABMO COc1ccccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@H+]2C ZINC000257271190 244375528 /nfs/dbraw/zinc/37/55/28/244375528.db2.gz MXFFDALMNPUDTJ-DEYWJSPQSA-N 1 1 328.456 3.173 40 0 EGABMO COc1ccccc1C[N@H+]1CCC[C@H](c2nn(C)c3ncccc23)C1 ZINC000019289503 212011051 /nfs/dbraw/zinc/01/10/51/212011051.db2.gz YNWXYVMAPVIANK-INIZCTEOSA-N 1 1 336.439 3.357 40 0 EGABMO C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000078924659 217149450 /nfs/dbraw/zinc/14/94/50/217149450.db2.gz ADBYUQYHMVVIIF-IAGOWNOFSA-N 1 1 338.455 3.059 40 0 EGABMO C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000078924659 217149452 /nfs/dbraw/zinc/14/94/52/217149452.db2.gz ADBYUQYHMVVIIF-IAGOWNOFSA-N 1 1 338.455 3.059 40 0 EGABMO Cc1ccc([C@]2(O)CCC[C@@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@@H]32)cc1 ZINC000012186321 211312924 /nfs/dbraw/zinc/31/29/24/211312924.db2.gz LOEHXFLWUKAUCB-HLAWJBBLSA-N 1 1 337.467 3.213 40 0 EGABMO CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000093335256 218215438 /nfs/dbraw/zinc/21/54/38/218215438.db2.gz APIUTRYYNGYGRL-INIZCTEOSA-N 1 1 328.412 3.084 40 0 EGABMO Fc1ccc(C(F)(F)F)cc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000093646302 218238751 /nfs/dbraw/zinc/23/87/51/218238751.db2.gz YAKWXISIVILZAB-UHFFFAOYSA-N 1 1 328.313 3.342 40 0 EGABMO C[N@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@H]1CCOC1 ZINC000093840203 218252811 /nfs/dbraw/zinc/25/28/11/218252811.db2.gz AJMFJUWBZORUFA-GFCCVEGCSA-N 1 1 338.245 3.193 40 0 EGABMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)C3=COCCC3)n2)C1 ZINC000095393241 218324807 /nfs/dbraw/zinc/32/48/07/218324807.db2.gz ZKYXDXZZKKBUTQ-CHWSQXEVSA-N 1 1 335.473 3.254 40 0 EGABMO Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCOCC2)nc1 ZINC000095416661 218355825 /nfs/dbraw/zinc/35/58/25/218355825.db2.gz IYQITLFIJJDAAR-HNNXBMFYSA-N 1 1 329.419 3.217 40 0 EGABMO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000095422418 218364980 /nfs/dbraw/zinc/36/49/80/218364980.db2.gz CSBNZNDBMCHDNB-NXEZZACHSA-N 1 1 340.420 3.246 40 0 EGABMO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000095422416 218365206 /nfs/dbraw/zinc/36/52/06/218365206.db2.gz CSBNZNDBMCHDNB-VHSXEESVSA-N 1 1 340.420 3.246 40 0 EGABMO COC[C@H]1CCC2(CCN(C(=O)c3cccc(Cl)c3)CC2)[N@H+]1C ZINC000096206516 218679939 /nfs/dbraw/zinc/67/99/39/218679939.db2.gz NTQMBBCRFBFMSL-MRXNPFEDSA-N 1 1 336.863 3.055 40 0 EGABMO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000096430902 218805088 /nfs/dbraw/zinc/80/50/88/218805088.db2.gz PISPJYXFQMROOO-GHMZBOCLSA-N 1 1 345.306 3.024 40 0 EGABMO CC[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc21 ZINC000000156023 258003400 /nfs/dbraw/zinc/00/34/00/258003400.db2.gz LJOQGZACKSYWCH-TUGJPZLJSA-N 1 1 326.440 3.397 40 0 in-vitro EGABMO CC(=O)N1CCCc2cc([C@@H](O)C[N@H+](C)Cc3ccccc3)ccc21 ZINC000036741196 132393091 /nfs/dbraw/zinc/39/30/91/132393091.db2.gz BYWIDFVDPXZISY-NRFANRHFSA-N 1 1 338.451 3.151 40 0 EGABMO [NH3+][C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072228243 262491193 /nfs/dbraw/zinc/49/11/93/262491193.db2.gz AFMMJESWPWQSPQ-GJZGRUSLSA-N 1 1 338.304 3.255 40 0 EGABMO Cc1csc(NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000043240356 275128520 /nfs/dbraw/zinc/12/85/20/275128520.db2.gz QQFQMFWKQNFBSJ-ZDUSSCGKSA-N 1 1 330.457 3.020 40 0 EGABMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1 ZINC000293648257 308149537 /nfs/dbraw/zinc/14/95/37/308149537.db2.gz GRAKIZWYEBVZCW-QGZVFWFLSA-N 1 1 334.423 3.471 40 0 EGABMO COc1cccc([C@@H]2[C@H](NC(=O)c3cc[nH]c3C)CC[N@H+]2C2CC2)c1 ZINC000183255333 455262387 /nfs/dbraw/zinc/26/23/87/455262387.db2.gz ANAFSCMZWPJOLC-RTBURBONSA-N 1 1 339.439 3.040 40 0 EGABMO Cc1[nH]nc2ncc(NC(=O)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000240278327 455263736 /nfs/dbraw/zinc/26/37/36/455263736.db2.gz DQMJJHVSTCCIJS-INIZCTEOSA-N 1 1 349.438 3.117 40 0 EGABMO CCC[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccc(OC)c(OC)c1)C2 ZINC000000488024 452606724 /nfs/dbraw/zinc/60/67/24/452606724.db2.gz IPNSZFJWQTVXFT-XYPWUTKMSA-N 1 1 333.428 3.266 40 0 EGABMO OCC[N@@H+](Cc1ccc(OC2CCCC2)cc1)Cc1cccnc1 ZINC000013569677 453471658 /nfs/dbraw/zinc/47/16/58/453471658.db2.gz WEIHJJBNMDAMSI-UHFFFAOYSA-N 1 1 326.440 3.398 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC(O)(c2ccccc2C)CC1 ZINC000013996268 453495694 /nfs/dbraw/zinc/49/56/94/453495694.db2.gz PXKFGCBOVWLNJR-SFHVURJKSA-N 1 1 344.499 3.070 40 0 EGABMO Cc1ccsc1C[N@H+]1CCC[C@@H](c2noc(-c3cnccn3)n2)C1 ZINC000019238635 453655131 /nfs/dbraw/zinc/65/51/31/453655131.db2.gz MYHDALXXXJETIC-CYBMUJFWSA-N 1 1 341.440 3.276 40 0 EGABMO Clc1ccc(C2(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)CC2)cc1 ZINC000019332772 453656726 /nfs/dbraw/zinc/65/67/26/453656726.db2.gz PFUVHAKIZNGKJY-KRWDZBQOSA-N 1 1 348.918 3.416 40 0 EGABMO CC[N@@H+](C)[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C2(C1)CCCCC2 ZINC000019704922 453658406 /nfs/dbraw/zinc/65/84/06/453658406.db2.gz XBTDVPSMJXZQFD-SFHVURJKSA-N 1 1 344.499 3.493 40 0 EGABMO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](CC(C)C)C2CC2)c1 ZINC000027110467 453810670 /nfs/dbraw/zinc/81/06/70/453810670.db2.gz YNSXITYDSVONQS-CQSZACIVSA-N 1 1 334.460 3.001 40 0 EGABMO COc1ccccc1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000031662748 453851258 /nfs/dbraw/zinc/85/12/58/453851258.db2.gz AZAKHXYGBROILO-UHFFFAOYSA-N 1 1 339.439 3.265 40 0 EGABMO CC[C@@H](CNC(=O)c1ccccc1OC)[N@H+]1CCc2ccccc2C1 ZINC000032445807 453873541 /nfs/dbraw/zinc/87/35/41/453873541.db2.gz BMVUFHVDSSIFHR-SFHVURJKSA-N 1 1 338.451 3.262 40 0 EGABMO C[C@H](c1ccccc1)[N@H+](CC(=O)NC1CCOCC1)CC1CCC1 ZINC000077372236 454098253 /nfs/dbraw/zinc/09/82/53/454098253.db2.gz FLZBDCNITGVPSB-MRXNPFEDSA-N 1 1 330.472 3.145 40 0 EGABMO Cc1ccccc1OCCC[N@H+](C)C[C@@H](O)COc1ccccc1C ZINC000059384299 454258328 /nfs/dbraw/zinc/25/83/28/454258328.db2.gz IPHIOKCINSCLRD-LJQANCHMSA-N 1 1 343.467 3.444 40 0 EGABMO COc1ccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4ccc(C)o4)C3)C2)cc1 ZINC000096047621 454269630 /nfs/dbraw/zinc/26/96/30/454269630.db2.gz RYDSDZICONIUEZ-FXAWDEMLSA-N 1 1 342.439 3.442 40 0 EGABMO Fc1cccnc1N[C@@H]1CO[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096047637 454269693 /nfs/dbraw/zinc/26/96/93/454269693.db2.gz OSNRCXSBVAZSAT-YOEHRIQHSA-N 1 1 333.432 3.128 40 0 EGABMO Cc1occc1C(=O)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096046516 454270156 /nfs/dbraw/zinc/27/01/56/454270156.db2.gz WZAQQILBESATOD-UHFFFAOYSA-N 1 1 339.439 3.111 40 0 EGABMO O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](Cc1ccncc1)C2 ZINC000096048751 454271203 /nfs/dbraw/zinc/27/12/03/454271203.db2.gz YFJNZGRRUHFXTM-GOSISDBHSA-N 1 1 327.453 3.162 40 0 EGABMO Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4ccncc4)C3)C2=O)c1 ZINC000096050579 454272777 /nfs/dbraw/zinc/27/27/77/454272777.db2.gz SQLIVIXTUBQYTF-NRFANRHFSA-N 1 1 335.451 3.015 40 0 EGABMO Cc1cccc(COC[C@H]2C[C@H]3OCC[N@H+](Cc4ccoc4)[C@@H]3C2)n1 ZINC000096055532 454274371 /nfs/dbraw/zinc/27/43/71/454274371.db2.gz CZWQYHYUTLZTIG-MISYRCLQSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1cccc(COC[C@H]2C[C@H]3OCC[N@@H+](Cc4ccoc4)[C@@H]3C2)n1 ZINC000096055532 454274378 /nfs/dbraw/zinc/27/43/78/454274378.db2.gz CZWQYHYUTLZTIG-MISYRCLQSA-N 1 1 342.439 3.179 40 0 EGABMO Fc1cccc(O[C@H]2C[C@H]3CN(Cc4ccsc4)CC[N@H+]3C2)c1 ZINC000096055143 454274784 /nfs/dbraw/zinc/27/47/84/454274784.db2.gz AYIWWODBHTWUJB-WMZOPIPTSA-N 1 1 332.444 3.225 40 0 EGABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072227186 454275283 /nfs/dbraw/zinc/27/52/83/454275283.db2.gz ROVLGZOCKWPRGR-LSDHHAIUSA-N 1 1 337.206 3.417 40 0 EGABMO COc1ccc(C[N@@H+]2CCCn3cnc(COC(C)C)c3C2)cc1 ZINC000096059050 454275964 /nfs/dbraw/zinc/27/59/64/454275964.db2.gz NOPFJVOMYBARHQ-UHFFFAOYSA-N 1 1 329.444 3.223 40 0 EGABMO COc1ccc(C[N@H+]2CCCn3cnc(COC(C)C)c3C2)cc1 ZINC000096059050 454275968 /nfs/dbraw/zinc/27/59/68/454275968.db2.gz NOPFJVOMYBARHQ-UHFFFAOYSA-N 1 1 329.444 3.223 40 0 EGABMO COc1ccc(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC000096061981 454278789 /nfs/dbraw/zinc/27/87/89/454278789.db2.gz WNXYBGLQWNOUCN-INIZCTEOSA-N 1 1 342.487 3.309 40 0 EGABMO CCn1cncc1C[N@H+]1C[C@H]2CCC[C@](O)(c3ccc(C)cc3)[C@@H]2C1 ZINC000072340454 454294489 /nfs/dbraw/zinc/29/44/89/454294489.db2.gz NXAYDVCQUNHBFR-UIFIKXQLSA-N 1 1 339.483 3.331 40 0 EGABMO c1csc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4ccncc4)CC[C@@H]32)c1 ZINC000096186777 454299115 /nfs/dbraw/zinc/29/91/15/454299115.db2.gz PJCISBWYHOHDJT-NEWSRXKRSA-N 1 1 344.480 3.482 40 0 EGABMO CCOC[C@H]1CCC2(CCN(C(=O)/C=C/c3cccs3)CC2)[N@H+]1C ZINC000096207882 454304189 /nfs/dbraw/zinc/30/41/89/454304189.db2.gz CXGDFZIGSPOVFP-FYCOFBDGSA-N 1 1 348.512 3.253 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CC4CC4)C3)C2)n1 ZINC000096216252 454305213 /nfs/dbraw/zinc/30/52/13/454305213.db2.gz KWDZFEVSJKNJRJ-FQEVSTJZSA-N 1 1 327.472 3.005 40 0 EGABMO Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)o1 ZINC000096251707 454311249 /nfs/dbraw/zinc/31/12/49/454311249.db2.gz VFASIZKVGMGESL-ACRUOGEOSA-N 1 1 338.451 3.191 40 0 EGABMO Cn1ccnc1CN1CCC2(CC[C@@H]([NH+](C)C)c3ccccc32)CC1 ZINC000096242654 454311943 /nfs/dbraw/zinc/31/19/43/454311943.db2.gz AQHHXWSMMKTPGT-LJQANCHMSA-N 1 1 338.499 3.350 40 0 EGABMO CC(C)CC[N@H+]1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 ZINC000096260447 454314729 /nfs/dbraw/zinc/31/47/29/454314729.db2.gz XAEVDHHTUDXLFR-UHFFFAOYSA-N 1 1 346.519 3.050 40 0 EGABMO C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000096421054 454335504 /nfs/dbraw/zinc/33/55/04/454335504.db2.gz XSRNZOKOWNMHTP-WMZOPIPTSA-N 1 1 341.455 3.199 40 0 EGABMO CCc1ocnc1C(=O)OC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000096420390 454335612 /nfs/dbraw/zinc/33/56/12/454335612.db2.gz CKKHVRQLKVUALX-RDTXWAMCSA-N 1 1 344.411 3.095 40 0 EGABMO CC(C)[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000096436347 454347258 /nfs/dbraw/zinc/34/72/58/454347258.db2.gz USFBGUURQAIFEA-KRWDZBQOSA-N 1 1 329.444 3.163 40 0 EGABMO CNC(=O)c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000096441729 454350928 /nfs/dbraw/zinc/35/09/28/454350928.db2.gz CTDZZXLQJBZHCI-PMACEKPBSA-N 1 1 338.451 3.134 40 0 EGABMO COc1cc(N[C@H]2CCC[N@H+](Cc3cc(C)on3)C2)cc(OC)c1 ZINC000096481206 454365513 /nfs/dbraw/zinc/36/55/13/454365513.db2.gz RROJIBXHOPVNGY-AWEZNQCLSA-N 1 1 331.416 3.077 40 0 EGABMO COc1cc(N[C@H]2CCC[N@@H+](Cc3cc(C)on3)C2)cc(OC)c1 ZINC000096481206 454365516 /nfs/dbraw/zinc/36/55/16/454365516.db2.gz RROJIBXHOPVNGY-AWEZNQCLSA-N 1 1 331.416 3.077 40 0 EGABMO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3ccncc3)C2)o1 ZINC000049170043 454537019 /nfs/dbraw/zinc/53/70/19/454537019.db2.gz KMIVOUZHWJICEI-HNNXBMFYSA-N 1 1 336.395 3.130 40 0 biogenic,in-vitro EGABMO C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097166 454686984 /nfs/dbraw/zinc/68/69/84/454686984.db2.gz ZGBSZRDOCKVGBN-SJORKVTESA-N 1 1 332.469 3.022 40 0 EGABMO Cc1ccc(CN2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)o1 ZINC000107746888 454772373 /nfs/dbraw/zinc/77/23/73/454772373.db2.gz JJGSEOORIJZVGU-LPHOPBHVSA-N 1 1 330.403 3.065 40 0 EGABMO c1cc2n(n1)C[C@H](CNc1ccccn1)C[N@H+](Cc1ccccc1)C2 ZINC000248133475 455685775 /nfs/dbraw/zinc/68/57/75/455685775.db2.gz YGJIZHVVHQRZGF-GOSISDBHSA-N 1 1 333.439 3.022 40 0 EGABMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCSC(C)C)CC1 ZINC000252489845 455812432 /nfs/dbraw/zinc/81/24/32/455812432.db2.gz KCDIEPFNPCEJFV-UHFFFAOYSA-N 1 1 349.544 3.001 40 0 EGABMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)no1 ZINC000253370789 455836459 /nfs/dbraw/zinc/83/64/59/455836459.db2.gz WDVHZDNIFVSSJT-WBVHZDCISA-N 1 1 349.381 3.215 40 0 EGABMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)no1 ZINC000253370789 455836461 /nfs/dbraw/zinc/83/64/61/455836461.db2.gz WDVHZDNIFVSSJT-WBVHZDCISA-N 1 1 349.381 3.215 40 0 EGABMO O[C@H](C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1)c1ccccc1 ZINC000253420758 455844263 /nfs/dbraw/zinc/84/42/63/455844263.db2.gz LMNXNOYCKNMGJU-UONOGXRCSA-N 1 1 339.361 3.342 40 0 EGABMO O[C@H](C[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)c1ccccc1 ZINC000253420758 455844269 /nfs/dbraw/zinc/84/42/69/455844269.db2.gz LMNXNOYCKNMGJU-UONOGXRCSA-N 1 1 339.361 3.342 40 0 EGABMO O[C@H](C[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)c1ccccc1 ZINC000253420758 455844273 /nfs/dbraw/zinc/84/42/73/455844273.db2.gz LMNXNOYCKNMGJU-UONOGXRCSA-N 1 1 339.361 3.342 40 0 EGABMO COc1ccc(C[N@H+]2CCCN(C(=O)C(C)(C)C(F)F)CC2)cc1 ZINC000253421193 455844422 /nfs/dbraw/zinc/84/44/22/455844422.db2.gz RMAOLTBTPHWVIS-UHFFFAOYSA-N 1 1 340.414 3.021 40 0 EGABMO OCc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000253426268 455845107 /nfs/dbraw/zinc/84/51/07/455845107.db2.gz SPGMZZNZMMVLEC-GOSISDBHSA-N 1 1 349.377 3.354 40 0 EGABMO OCc1ccc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000253426268 455845108 /nfs/dbraw/zinc/84/51/08/455845108.db2.gz SPGMZZNZMMVLEC-GOSISDBHSA-N 1 1 349.377 3.354 40 0 EGABMO C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000253499648 455850924 /nfs/dbraw/zinc/85/09/24/455850924.db2.gz DHLGTTUFAHBXDS-ZDQRBUBASA-N 1 1 345.527 3.357 40 0 EGABMO CNc1ncccc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cnccn1 ZINC000257293701 455885180 /nfs/dbraw/zinc/88/51/80/455885180.db2.gz QQUBGWKCKYRCQP-GPMSIDNRSA-N 1 1 337.471 3.004 40 0 EGABMO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257304057 455886775 /nfs/dbraw/zinc/88/67/75/455886775.db2.gz SJXCVDCHXRBQKC-AWEZNQCLSA-N 1 1 340.456 3.307 40 0 EGABMO CNc1cncc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccs2)n1 ZINC000257304057 455886780 /nfs/dbraw/zinc/88/67/80/455886780.db2.gz SJXCVDCHXRBQKC-AWEZNQCLSA-N 1 1 340.456 3.307 40 0 EGABMO Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000195566226 455986584 /nfs/dbraw/zinc/98/65/84/455986584.db2.gz LYZKEFOBWGMYIT-NVXWUHKLSA-N 1 1 333.863 3.328 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(OC)c1OC ZINC000225047320 456071712 /nfs/dbraw/zinc/07/17/12/456071712.db2.gz CSKHCNZNNMQZRL-OAHLLOKOSA-N 1 1 334.460 3.088 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1ccc(OC)cc1 ZINC000225316619 456077013 /nfs/dbraw/zinc/07/70/13/456077013.db2.gz OHJQEQWQYFZHEB-GOSISDBHSA-N 1 1 332.488 3.399 40 0 EGABMO COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1F ZINC000225390627 456080119 /nfs/dbraw/zinc/08/01/19/456080119.db2.gz AGAFBQRELDRCJL-UHFFFAOYSA-N 1 1 339.370 3.258 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(F)c(C)c1 ZINC000225607813 456097653 /nfs/dbraw/zinc/09/76/53/456097653.db2.gz YIAROUQGBYFFDE-OAHLLOKOSA-N 1 1 342.480 3.067 40 0 EGABMO c1ccc(Nc2ncc3c(n2)[C@]2(CC[N@H+](CC4CC4)C2)COC3)cc1 ZINC000306138327 456567266 /nfs/dbraw/zinc/56/72/66/456567266.db2.gz RUYRGWSEYQBUAL-FQEVSTJZSA-N 1 1 336.439 3.104 40 0 EGABMO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](CC4CC4)C2)OC3)cc1 ZINC000306141225 456568045 /nfs/dbraw/zinc/56/80/45/456568045.db2.gz VOTDOTPACBTNJX-LJQANCHMSA-N 1 1 327.403 3.074 40 0 EGABMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)CCN1Cc1ccccc1 ZINC000585141363 459829928 /nfs/dbraw/zinc/82/99/28/459829928.db2.gz UNSFVKAQYZODTA-APWZRJJASA-N 1 1 325.456 3.272 40 0 EGABMO Cc1ccccc1OC[C@@]1(O)COCC[N@H+](C2CCC(C)(C)CC2)C1 ZINC000585287800 459833398 /nfs/dbraw/zinc/83/33/98/459833398.db2.gz SCVJYECPEHKRKU-NRFANRHFSA-N 1 1 347.499 3.406 40 0 EGABMO CC(C)c1ccc(OCCOC[C@@H](O)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000040373393 213293104 /nfs/dbraw/zinc/29/31/04/213293104.db2.gz BOHSPJRSQSIMAL-MJGOQNOKSA-N 1 1 335.488 3.298 40 0 EGABMO Fc1cnc(N2CCC[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2)nc1 ZINC000096047178 283033141 /nfs/dbraw/zinc/03/31/41/283033141.db2.gz SDZFJYWQEJANQT-KRWDZBQOSA-N 1 1 332.448 3.170 40 0 EGABMO C[C@H](c1nccs1)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000072203891 216070233 /nfs/dbraw/zinc/07/02/33/216070233.db2.gz IAIBPFGIVWSVBH-CHWSQXEVSA-N 1 1 325.478 3.441 40 0 EGABMO C[C@H](c1nccs1)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000072203891 216070236 /nfs/dbraw/zinc/07/02/36/216070236.db2.gz IAIBPFGIVWSVBH-CHWSQXEVSA-N 1 1 325.478 3.441 40 0 EGABMO COc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1Br ZINC000072324570 216151195 /nfs/dbraw/zinc/15/11/95/216151195.db2.gz FHEYWCHCHCCOSJ-GXTWGEPZSA-N 1 1 339.277 3.126 40 0 EGABMO Cn1cncc1C[N@@H+]1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072363160 216170079 /nfs/dbraw/zinc/17/00/79/216170079.db2.gz HFIORAGFTLPXHM-MRXNPFEDSA-N 1 1 349.438 3.382 40 0 EGABMO Cn1cncc1C[N@H+]1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072363160 216170082 /nfs/dbraw/zinc/17/00/82/216170082.db2.gz HFIORAGFTLPXHM-MRXNPFEDSA-N 1 1 349.438 3.382 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389906 216190081 /nfs/dbraw/zinc/19/00/81/216190081.db2.gz CNGHYAQGIRIKFZ-MRXNPFEDSA-N 1 1 336.395 3.130 40 0 EGABMO C[C@H]1CCCC[N@H+]1Cc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000072392330 216191071 /nfs/dbraw/zinc/19/10/71/216191071.db2.gz BHLAEYKCMVHKLF-ZDUSSCGKSA-N 1 1 325.391 3.305 40 0 EGABMO CS[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245339212 243103075 /nfs/dbraw/zinc/10/30/75/243103075.db2.gz RFDGLBVFWXPHQO-HCKVZZMMSA-N 1 1 344.883 3.340 40 0 EGABMO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2F)ccn1 ZINC000257207187 244135946 /nfs/dbraw/zinc/13/59/46/244135946.db2.gz BGRZXCABHNOEQC-GOSISDBHSA-N 1 1 345.393 3.333 40 0 EGABMO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2cccc(F)c2F)ccn1 ZINC000257207187 244135953 /nfs/dbraw/zinc/13/59/53/244135953.db2.gz BGRZXCABHNOEQC-GOSISDBHSA-N 1 1 345.393 3.333 40 0 EGABMO Nc1nccnc1C[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000257213418 244156123 /nfs/dbraw/zinc/15/61/23/244156123.db2.gz CHMTWRQHXXNPEJ-OAHLLOKOSA-N 1 1 333.439 3.062 40 0 EGABMO Cc1nn(C)c2nc([C@@H]3CCC[N@@H+](Cc4ncccc4F)C3)ccc12 ZINC000257257137 244285660 /nfs/dbraw/zinc/28/56/60/244285660.db2.gz KOFGDWKVLZPAEL-CQSZACIVSA-N 1 1 339.418 3.190 40 0 EGABMO CCCc1cc(C(=O)N(C)[C@@H]2CCCN(c3cccc(C)[nH+]3)C2)no1 ZINC000257260022 244292689 /nfs/dbraw/zinc/29/26/89/244292689.db2.gz LBAOBCMZSSRMHK-OAHLLOKOSA-N 1 1 342.443 3.072 40 0 EGABMO CCC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019499273 212033279 /nfs/dbraw/zinc/03/32/79/212033279.db2.gz ZNYTWEUOPIDIIV-WBVHZDCISA-N 1 1 344.484 3.018 40 0 EGABMO O=C1N[C@@]2(CC[N@@H+](Cc3cccc(F)c3F)C2)CCc2ccccc21 ZINC000019375256 212024008 /nfs/dbraw/zinc/02/40/08/212024008.db2.gz QEJVVOFHIUPOAC-HXUWFJFHSA-N 1 1 342.389 3.286 40 0 EGABMO O=C1N[C@@]2(CC[N@H+](Cc3cccc(F)c3F)C2)CCc2ccccc21 ZINC000019375256 212024010 /nfs/dbraw/zinc/02/40/10/212024010.db2.gz QEJVVOFHIUPOAC-HXUWFJFHSA-N 1 1 342.389 3.286 40 0 EGABMO O[C@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000049574767 214020647 /nfs/dbraw/zinc/02/06/47/214020647.db2.gz FYWXAYKYZVMEJI-WMZOPIPTSA-N 1 1 349.427 3.452 40 0 EGABMO O[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000049574767 214020649 /nfs/dbraw/zinc/02/06/49/214020649.db2.gz FYWXAYKYZVMEJI-WMZOPIPTSA-N 1 1 349.427 3.452 40 0 EGABMO Cc1noc(C)c1[C@H](C)NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000079305993 217205619 /nfs/dbraw/zinc/20/56/19/217205619.db2.gz CRYZXJZMXPKULD-AWEZNQCLSA-N 1 1 344.459 3.174 40 0 EGABMO Cc1ccc([C@@H](CNC(=O)COc2c(C)cccc2C)[NH+](C)C)o1 ZINC000015860124 211861334 /nfs/dbraw/zinc/86/13/34/211861334.db2.gz WUINHKIVIMPRFX-MRXNPFEDSA-N 1 1 330.428 3.003 40 0 EGABMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000012763520 211448274 /nfs/dbraw/zinc/44/82/74/211448274.db2.gz SAJVXEOQRVZGIS-RHSMWYFYSA-N 1 1 338.879 3.346 40 0 EGABMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000012763520 211448279 /nfs/dbraw/zinc/44/82/79/211448279.db2.gz SAJVXEOQRVZGIS-RHSMWYFYSA-N 1 1 338.879 3.346 40 0 EGABMO CCn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cn1 ZINC000012325315 211348776 /nfs/dbraw/zinc/34/87/76/211348776.db2.gz AFSRUKWJCXZHSF-MCPYQZEQSA-N 1 1 329.419 3.057 40 0 EGABMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)C1 ZINC000036741230 132392885 /nfs/dbraw/zinc/39/28/85/132392885.db2.gz VTPOIGCASOIQLF-QRWLVFNGSA-N 1 1 342.483 3.141 40 0 EGABMO Cc1csc(NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000043240354 275128559 /nfs/dbraw/zinc/12/85/59/275128559.db2.gz QQFQMFWKQNFBSJ-CYBMUJFWSA-N 1 1 330.457 3.020 40 0 EGABMO Cc1cc(Br)cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000128188976 323218883 /nfs/dbraw/zinc/21/88/83/323218883.db2.gz IUHKUBUZPWRXPR-DOMZBBRYSA-N 1 1 339.277 3.312 40 0 EGABMO Fc1ccccc1-n1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)n1 ZINC000189588027 455220690 /nfs/dbraw/zinc/22/06/90/455220690.db2.gz XHEPLOGHCSTAPK-UHFFFAOYSA-N 1 1 347.459 3.109 40 0 EGABMO Fc1ccccc1-n1ccc(C[N@H+]2CCSC3(CCOCC3)C2)n1 ZINC000189588027 455220694 /nfs/dbraw/zinc/22/06/94/455220694.db2.gz XHEPLOGHCSTAPK-UHFFFAOYSA-N 1 1 347.459 3.109 40 0 EGABMO CC(C)c1ccccc1OC[C@H](O)C[N@@H+](CCO)Cc1ccccc1 ZINC000002694323 452714936 /nfs/dbraw/zinc/71/49/36/452714936.db2.gz STGDNMJDWDAYQL-LJQANCHMSA-N 1 1 343.467 3.044 40 0 EGABMO CC[N@H+]1CCC[C@H]1CNC(=O)Nc1c[nH]c2c(Cl)cccc2c1=O ZINC000013565996 453471120 /nfs/dbraw/zinc/47/11/20/453471120.db2.gz VLABRWPKKLAJHH-NSHDSACASA-N 1 1 348.834 3.200 40 0 EGABMO c1ccc2c(c1)[nH]c1c2[C@H]2C[N@H+](CCc3ccncc3)CCN2CC1 ZINC000022922360 453701074 /nfs/dbraw/zinc/70/10/74/453701074.db2.gz JLPQEMCCJSONLS-HXUWFJFHSA-N 1 1 332.451 3.020 40 0 EGABMO c1ccc2c(c1)[nH]c1c2[C@H]2C[N@@H+](CCc3ccncc3)CCN2CC1 ZINC000022922360 453701079 /nfs/dbraw/zinc/70/10/79/453701079.db2.gz JLPQEMCCJSONLS-HXUWFJFHSA-N 1 1 332.451 3.020 40 0 EGABMO Cc1cc2ccccc2n1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000029630230 453830301 /nfs/dbraw/zinc/83/03/01/453830301.db2.gz FOCYOQWOTCEGAX-UHFFFAOYSA-N 1 1 347.462 3.294 40 0 EGABMO CCn1nccc1/C=C/C(=O)Nc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000095435282 454212941 /nfs/dbraw/zinc/21/29/41/454212941.db2.gz QNBKYSSNIZWYQT-FNORWQNLSA-N 1 1 339.374 3.188 40 0 EGABMO C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000071793334 454217821 /nfs/dbraw/zinc/21/78/21/454217821.db2.gz NAXOKQJEPZGLNO-OAHLLOKOSA-N 1 1 328.456 3.029 40 0 EGABMO Cc1nc(COC[C@]23CCCO[C@H]2CC[N@@H+](CC2CC2)C3)cs1 ZINC000096040155 454267002 /nfs/dbraw/zinc/26/70/02/454267002.db2.gz VGKOROHGTRPXKC-ZWKOTPCHSA-N 1 1 336.501 3.249 40 0 EGABMO CCOC[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2cn(C)nc21 ZINC000096044698 454268468 /nfs/dbraw/zinc/26/84/68/454268468.db2.gz ZSLSEGJNCHAAEO-HNNXBMFYSA-N 1 1 349.862 3.088 40 0 EGABMO O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096047006 454269664 /nfs/dbraw/zinc/26/96/64/454269664.db2.gz JQJWHWAMQRBVPZ-SFHVURJKSA-N 1 1 330.453 3.469 40 0 EGABMO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@H+](Cc4ccoc4)[C@@H]3C2)n1 ZINC000096055533 454274091 /nfs/dbraw/zinc/27/40/91/454274091.db2.gz CZWQYHYUTLZTIG-DFQSSKMNSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@@H+](Cc4ccoc4)[C@@H]3C2)n1 ZINC000096055533 454274097 /nfs/dbraw/zinc/27/40/97/454274097.db2.gz CZWQYHYUTLZTIG-DFQSSKMNSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1C ZINC000072227849 454276388 /nfs/dbraw/zinc/27/63/88/454276388.db2.gz ADIYVTWVBNPUSW-CVEARBPZSA-N 1 1 345.240 3.481 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](Cc3cccc(C)n3)CC[C@@H]2OC)cc1 ZINC000096110552 454286729 /nfs/dbraw/zinc/28/67/29/454286729.db2.gz RRCZPNKVNWQKCT-RXVVDRJESA-N 1 1 340.467 3.478 40 0 EGABMO O[C@]1(c2ccc(F)cc2)CCC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000072340438 454294891 /nfs/dbraw/zinc/29/48/91/454294891.db2.gz JYZMRAZKRRPYGD-AHRSYUTCSA-N 1 1 326.415 3.340 40 0 EGABMO COC[C@@H]1C[N@H+](Cc2cccnc2)Cc2cn(CC3CCCC3)nc21 ZINC000096198179 454302550 /nfs/dbraw/zinc/30/25/50/454302550.db2.gz HIIMLJTZLSEBKG-IBGZPJMESA-N 1 1 340.471 3.214 40 0 EGABMO COC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2cn(CC3CCCC3)nc21 ZINC000096198179 454302555 /nfs/dbraw/zinc/30/25/55/454302555.db2.gz HIIMLJTZLSEBKG-IBGZPJMESA-N 1 1 340.471 3.214 40 0 EGABMO Cc1ccncc1COC[C@@]12CCC[C@@H]1C[N@@H+](CC1CCOCC1)C2 ZINC000096206373 454304122 /nfs/dbraw/zinc/30/41/22/454304122.db2.gz UJIMUDAZJDFFAD-RTWAWAEBSA-N 1 1 344.499 3.435 40 0 EGABMO CCOC[C@@H]1CCC2(CCN(Cc3cc(C)on3)CC2)[N@H+]1CC1CC1 ZINC000096207772 454304339 /nfs/dbraw/zinc/30/43/39/454304339.db2.gz WADFZBPCSQZGBN-IBGZPJMESA-N 1 1 347.503 3.229 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CC(F)(F)F)C3)C2)o1 ZINC000096215953 454305672 /nfs/dbraw/zinc/30/56/72/454305672.db2.gz YXBWOEGYLBSIFD-INIZCTEOSA-N 1 1 344.377 3.355 40 0 EGABMO Fc1cccnc1N[C@H]1CO[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096219180 454306642 /nfs/dbraw/zinc/30/66/42/454306642.db2.gz GVKSBLLBBYSCGJ-CXAGYDPISA-N 1 1 333.432 3.128 40 0 EGABMO c1cc(C[N@H+]2CC[C@H]3OCCN(c4cccnc4)[C@H]3CC2)cs1 ZINC000096249427 454311933 /nfs/dbraw/zinc/31/19/33/454311933.db2.gz KNYGNVSNACRDIW-ZWKOTPCHSA-N 1 1 329.469 3.013 40 0 EGABMO CC(C)[C@@H](C(=O)N1CCC[N@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000096431177 454342189 /nfs/dbraw/zinc/34/21/89/454342189.db2.gz HTOGRIHNTALESU-HXUWFJFHSA-N 1 1 344.499 3.140 40 0 EGABMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(F)c(-n3cccc3)c2)C1 ZINC000096453147 454356211 /nfs/dbraw/zinc/35/62/11/454356211.db2.gz PVBCOVWNLFIMLZ-OAHLLOKOSA-N 1 1 344.434 3.422 40 0 EGABMO C[N@H+](Cc1ccc(Br)c2cccnc12)C[C@H]1CCOC1 ZINC000096497176 454371071 /nfs/dbraw/zinc/37/10/71/454371071.db2.gz UVMUQJVWDVIESR-GFCCVEGCSA-N 1 1 335.245 3.466 40 0 EGABMO OC[C@@H](C1CC1)[N@@H+](Cc1cn2ccsc2n1)Cc1ccccc1 ZINC000097229694 454427576 /nfs/dbraw/zinc/42/75/76/454427576.db2.gz MOKIJOSURRPPQE-KRWDZBQOSA-N 1 1 327.453 3.169 40 0 EGABMO Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000136222511 454730450 /nfs/dbraw/zinc/73/04/50/454730450.db2.gz LYZKEFOBWGMYIT-WBVHZDCISA-N 1 1 333.863 3.328 40 0 EGABMO CC1(C)COCC[N@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000136660344 454751853 /nfs/dbraw/zinc/75/18/53/454751853.db2.gz FUPJGIBYLDLDTF-UHFFFAOYSA-N 1 1 330.350 3.145 40 0 EGABMO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](CC(=O)Nc4cccnc4)[C@@H]3C2)s1 ZINC000107746008 454772641 /nfs/dbraw/zinc/77/26/41/454772641.db2.gz XLQCVBHVFSIAOQ-BJWYYQGGSA-N 1 1 327.453 3.158 40 0 EGABMO COCc1ccc(C[N@H+]2CCCN(Cc3csc(C)n3)CC2)cc1 ZINC000157239006 455175975 /nfs/dbraw/zinc/17/59/75/455175975.db2.gz DAFSPQAYFAZJRK-UHFFFAOYSA-N 1 1 345.512 3.306 40 0 EGABMO Cc1ccc(CC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000247482886 455609661 /nfs/dbraw/zinc/60/96/61/455609661.db2.gz SWSJASRWIZTGPB-VQIMIIECSA-N 1 1 343.496 3.193 40 0 EGABMO CC(=O)N1CCc2cc([C@H](O)C[N@H+]3CCC[C@H]4CCCC[C@H]43)ccc21 ZINC000247961516 455660293 /nfs/dbraw/zinc/66/02/93/455660293.db2.gz VLTGLJGOXUUTIJ-OZOXKJRCSA-N 1 1 342.483 3.284 40 0 EGABMO C[N@@H+](Cc1cccc2cccnc21)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000248096331 455680313 /nfs/dbraw/zinc/68/03/13/455680313.db2.gz ZGBSZRDOCKVGBN-DLBZAZTESA-N 1 1 332.469 3.022 40 0 EGABMO C[C@H](NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000252477202 455806670 /nfs/dbraw/zinc/80/66/70/455806670.db2.gz JYVBIANUDPQQSD-FRQROOTJSA-N 1 1 349.425 3.152 40 0 EGABMO C[C@@H](C[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000252536723 455820946 /nfs/dbraw/zinc/82/09/46/455820946.db2.gz JHEJKAQFHFQIMK-LRDDRELGSA-N 1 1 327.877 3.095 40 0 EGABMO C[C@@H](C[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000252536723 455820949 /nfs/dbraw/zinc/82/09/49/455820949.db2.gz JHEJKAQFHFQIMK-LRDDRELGSA-N 1 1 327.877 3.095 40 0 EGABMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cn[nH]c(=O)c1Cl ZINC000253398319 455839938 /nfs/dbraw/zinc/83/99/38/455839938.db2.gz SHEMBXHJMPEUGX-HNNXBMFYSA-N 1 1 346.862 3.136 40 0 EGABMO Cc1nnc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000253418452 455841722 /nfs/dbraw/zinc/84/17/22/455841722.db2.gz NIUFUMCPGOEUDA-UHFFFAOYSA-N 1 1 336.892 3.208 40 0 EGABMO Cc1nnc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000253418452 455841725 /nfs/dbraw/zinc/84/17/25/455841725.db2.gz NIUFUMCPGOEUDA-UHFFFAOYSA-N 1 1 336.892 3.208 40 0 EGABMO C[N@H+]1CCC[C@@]2(C)[C@@H]1CCCCN2C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000257299534 455886437 /nfs/dbraw/zinc/88/64/37/455886437.db2.gz RQLISTQXMKBTRE-LPHOPBHVSA-N 1 1 332.492 3.186 40 0 EGABMO C[N@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)C1CCOCC1 ZINC000257321714 455891631 /nfs/dbraw/zinc/89/16/31/455891631.db2.gz WCWSEAKHBJJMOP-SLFFLAALSA-N 1 1 342.483 3.240 40 0 EGABMO COc1ccc([C@@H](CO)[N@@H+](C)C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000195531474 455981052 /nfs/dbraw/zinc/98/10/52/455981052.db2.gz YVOCTSKKMBDQMR-QZTJIDSGSA-N 1 1 335.831 3.047 40 0 EGABMO CC(=O)c1ccc(N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)nc1 ZINC000225603825 456097195 /nfs/dbraw/zinc/09/71/95/456097195.db2.gz TZXUTZGUHGSCQN-HNNXBMFYSA-N 1 1 344.484 3.007 40 0 EGABMO Cc1ccc(C(=O)N2CC[C@H]([N@H+]3CCc4ccccc4C3)C2)s1 ZINC000225687319 456103864 /nfs/dbraw/zinc/10/38/64/456103864.db2.gz QXNOUHMOVSCDHH-KRWDZBQOSA-N 1 1 326.465 3.329 40 0 EGABMO CCC[N@H+]1C[C@H]2[C@H](C1)c1cc(-c3ccccc3)ccc1S2(=O)=O ZINC000306142400 456567474 /nfs/dbraw/zinc/56/74/74/456567474.db2.gz WYQGOAYLALGFET-MJGOQNOKSA-N 1 1 327.449 3.319 40 0 EGABMO CCC[N@@H+]1C[C@H]2[C@H](C1)c1cc(-c3ccccc3)ccc1S2(=O)=O ZINC000306142400 456567482 /nfs/dbraw/zinc/56/74/82/456567482.db2.gz WYQGOAYLALGFET-MJGOQNOKSA-N 1 1 327.449 3.319 40 0 EGABMO C[C@@H]1C[C@H]1C(=O)N[C@H]1CC2(CC[NH+](CCF)CC2)Oc2ccccc21 ZINC000306140772 456568166 /nfs/dbraw/zinc/56/81/66/456568166.db2.gz VDNRKVMLQCIPPQ-OIISXLGYSA-N 1 1 346.446 3.087 40 0 EGABMO Clc1cccnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390881010 457448140 /nfs/dbraw/zinc/44/81/40/457448140.db2.gz VGOOWWWUPKTETD-INIZCTEOSA-N 1 1 331.847 3.438 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3Cc2cccnc2)s1 ZINC000503863550 458726578 /nfs/dbraw/zinc/72/65/78/458726578.db2.gz KIRHNXPJBTZLED-ROUUACIJSA-N 1 1 341.480 3.217 40 0 EGABMO O=C(C1CC(F)C1)N1CCC2(CCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000585099921 459822624 /nfs/dbraw/zinc/82/26/24/459822624.db2.gz YZQSINIHYPZWJG-UHFFFAOYSA-N 1 1 345.462 3.034 40 0 EGABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3F)CC2)N1CCF ZINC000585099995 459823102 /nfs/dbraw/zinc/82/31/02/459823102.db2.gz CDTWPIPGJJIKTJ-GOSISDBHSA-N 1 1 340.389 3.281 40 0 EGABMO CCOc1ccccc1C(=O)N1CCC[C@@]2(CC[N@H+]2CC(C)C)C1 ZINC000585101857 459823734 /nfs/dbraw/zinc/82/37/34/459823734.db2.gz JGHPGRVUPHISOI-HXUWFJFHSA-N 1 1 330.472 3.422 40 0 EGABMO CCOC(=O)c1csc(C2CC[NH+]([C@H](C)c3cnccn3)CC2)n1 ZINC000191572019 528333394 /nfs/dbraw/zinc/33/33/94/528333394.db2.gz XJWOORXHUCNANR-GFCCVEGCSA-N 1 1 346.456 3.050 40 0 EGABMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCc2ccccc21 ZINC000104263809 219366805 /nfs/dbraw/zinc/36/68/05/219366805.db2.gz BEYLGMVMKIKXMS-FPOVZHCZSA-N 1 1 334.463 3.497 40 0 EGABMO CC(=O)c1ccc(NC(=O)CC[N@H+](C)Cc2cccc(F)c2)cc1 ZINC000040024998 213252947 /nfs/dbraw/zinc/25/29/47/213252947.db2.gz YSJZJRKIGXNLHE-UHFFFAOYSA-N 1 1 328.387 3.489 40 0 EGABMO O=C1N[C@@]2(C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccsc2)Nc2ccccc21 ZINC000072327432 216152870 /nfs/dbraw/zinc/15/28/70/216152870.db2.gz JPBNVOGPBDKEAF-RPVQJOFSSA-N 1 1 325.437 3.037 40 0 EGABMO O=C1N[C@@]2(C[C@H]3CC[C@@H]2[N@H+]3Cc2ccsc2)Nc2ccccc21 ZINC000072327432 216152873 /nfs/dbraw/zinc/15/28/73/216152873.db2.gz JPBNVOGPBDKEAF-RPVQJOFSSA-N 1 1 325.437 3.037 40 0 EGABMO CCOc1c(Cl)cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1OC ZINC000072324532 216151406 /nfs/dbraw/zinc/15/14/06/216151406.db2.gz KZURJJCKLMCGII-ZFWWWQNUSA-N 1 1 338.879 3.416 40 0 EGABMO O[C@]1(c2cccnc2)CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC000072342995 216159527 /nfs/dbraw/zinc/15/95/27/216159527.db2.gz SWBIKSIPDQMZTB-ZTQAJYAQSA-N 1 1 344.405 3.480 40 0 EGABMO Cc1nc2sccn2c1C[N@H+]1CCC[C@@H](c2cncc(C)n2)C1 ZINC000072369416 216175966 /nfs/dbraw/zinc/17/59/66/216175966.db2.gz FXITWESNZLHMLP-CQSZACIVSA-N 1 1 327.457 3.182 40 0 EGABMO c1ccc(C[N@H+]2CCC[C@@H]2c2cncc(Nc3cnccn3)n2)cc1 ZINC000072376195 216178429 /nfs/dbraw/zinc/17/84/29/216178429.db2.gz KLVZBHBRRYXODZ-QGZVFWFLSA-N 1 1 332.411 3.347 40 0 EGABMO COCC[N@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072376819 216178571 /nfs/dbraw/zinc/17/85/71/216178571.db2.gz IPSJWOVWMQEHOX-MRXNPFEDSA-N 1 1 330.407 3.038 40 0 EGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ncccc1C ZINC000225451689 241869622 /nfs/dbraw/zinc/86/96/22/241869622.db2.gz PXVTVCFGNNVODZ-UHFFFAOYSA-N 1 1 337.452 3.371 40 0 EGABMO Nc1ccnc(C[NH+]2CCC(c3ccc(Br)cc3)CC2)n1 ZINC000225725839 242004486 /nfs/dbraw/zinc/00/44/86/242004486.db2.gz STHRHDKOLCZCSG-UHFFFAOYSA-N 1 1 347.260 3.201 40 0 EGABMO Cc1c[nH]c(-c2cnc([C@H]3CCC[N@@H+]3Cc3scnc3C)cn2)n1 ZINC000257218660 244172852 /nfs/dbraw/zinc/17/28/52/244172852.db2.gz DDZYZKRCWWAISN-OAHLLOKOSA-N 1 1 340.456 3.277 40 0 EGABMO Cc1c[nH]c(-c2cnc([C@H]3CCC[N@H+]3Cc3scnc3C)cn2)n1 ZINC000257218660 244172856 /nfs/dbraw/zinc/17/28/56/244172856.db2.gz DDZYZKRCWWAISN-OAHLLOKOSA-N 1 1 340.456 3.277 40 0 EGABMO CNc1cccc([C@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257269620 244374752 /nfs/dbraw/zinc/37/47/52/244374752.db2.gz MQSJFZXEUWUMNQ-LJQANCHMSA-N 1 1 334.423 3.245 40 0 EGABMO CNc1cccc([C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257269620 244374757 /nfs/dbraw/zinc/37/47/57/244374757.db2.gz MQSJFZXEUWUMNQ-LJQANCHMSA-N 1 1 334.423 3.245 40 0 EGABMO CCC(=O)N1CCC(Cc2cc(NC3CCCC3)nc(C)[nH+]2)CC1 ZINC000019758782 212061868 /nfs/dbraw/zinc/06/18/68/212061868.db2.gz XDUCLOAVNXRBQM-UHFFFAOYSA-N 1 1 330.476 3.331 40 0 EGABMO Cn1nc([C@@H]2CCCN2C(=O)CCC2CCCC2)cc1C[NH+](C)C ZINC000019709061 212056327 /nfs/dbraw/zinc/05/63/27/212056327.db2.gz NKYLFKDXIUCTNO-SFHVURJKSA-N 1 1 332.492 3.116 40 0 EGABMO Cn1nc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)c2nccnc21 ZINC000019289382 212011021 /nfs/dbraw/zinc/01/10/21/212011021.db2.gz BHEPNINYFXWGKC-ZDUSSCGKSA-N 1 1 343.381 3.021 40 0 EGABMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccncc2)CC1 ZINC000078553378 217074837 /nfs/dbraw/zinc/07/48/37/217074837.db2.gz NXVGVTODMVUNBE-INIZCTEOSA-N 1 1 342.462 3.213 40 0 EGABMO COc1ccc(C[N@@H+](C)Cc2cc3ccccc3[nH]c2=O)c(OC)c1 ZINC000078921834 217148646 /nfs/dbraw/zinc/14/86/46/217148646.db2.gz IHVVWQGZLGZWLW-UHFFFAOYSA-N 1 1 338.407 3.177 40 0 EGABMO COc1ccc([C@H]2[C@@H](CNC(=O)c3ccoc3)CCC[N@H+]2C)cc1 ZINC000079358331 217215041 /nfs/dbraw/zinc/21/50/41/217215041.db2.gz KHUKBMRDWWBWLO-QAPCUYQASA-N 1 1 328.412 3.101 40 0 EGABMO COc1ccc(C2([NH2+]Cc3cc4c(cc3OC)OCCO4)CC2)cc1 ZINC000012238701 211328051 /nfs/dbraw/zinc/32/80/51/211328051.db2.gz MCMCOPPZVMDAFV-UHFFFAOYSA-N 1 1 341.407 3.254 40 0 EGABMO COc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CC1 ZINC000004886605 210311961 /nfs/dbraw/zinc/31/19/61/210311961.db2.gz WKQQPTBSXKRFQF-VHRNVKJDSA-N 1 1 329.444 3.365 40 0 EGABMO CC(C)Oc1ccc(C[NH2+]CC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004859444 210303861 /nfs/dbraw/zinc/30/38/61/210303861.db2.gz VTZLVAXMWLFFNO-MBOZVWFJSA-N 1 1 334.504 3.045 40 0 EGABMO OC1(c2ccccn2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000012089055 285241747 /nfs/dbraw/zinc/24/17/47/285241747.db2.gz UTBOADCXNJCUBK-XEWABKELSA-N 1 1 326.415 3.340 40 0 EGABMO CCC(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CCC[C@H](C)C3)ccc21 ZINC000036741241 132392656 /nfs/dbraw/zinc/39/26/56/132392656.db2.gz RJWUXZLTVUFXQN-KXBFYZLASA-N 1 1 330.472 3.141 40 0 EGABMO CC(=O)NCc1cnc(C)nc1[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000257324848 277038133 /nfs/dbraw/zinc/03/81/33/277038133.db2.gz WQLHNTRUEATMHM-GOSISDBHSA-N 1 1 330.476 3.138 40 0 EGABMO CC[C@@H](OC[C@H](O)C[N@@H+](CCO)Cc1ccccc1)c1ccccc1 ZINC000006449987 280213250 /nfs/dbraw/zinc/21/32/50/280213250.db2.gz ITVGMNRFDVQDOW-NHCUHLMSSA-N 1 1 343.467 3.010 40 0 EGABMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(Br)cc2F)C1 ZINC000046878909 454296421 /nfs/dbraw/zinc/29/64/21/454296421.db2.gz UTQGSUXHNXZKJW-NSHDSACASA-N 1 1 343.240 3.050 40 0 EGABMO OCc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000241634617 455268272 /nfs/dbraw/zinc/26/82/72/455268272.db2.gz PNVBZAOQMGVEQD-UXHICEINSA-N 1 1 329.415 3.406 40 0 EGABMO Cc1cc(N(CC(=O)N2CCCCC2)Cc2ccccc2)nc(C)[nH+]1 ZINC000005541401 452882895 /nfs/dbraw/zinc/88/28/95/452882895.db2.gz IUCPLBLTOYTTDJ-UHFFFAOYSA-N 1 1 338.455 3.113 40 0 EGABMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1 ZINC000006049684 452917681 /nfs/dbraw/zinc/91/76/81/452917681.db2.gz AZFQVQKMJIYNSN-UHFFFAOYSA-N 1 1 349.500 3.132 40 0 EGABMO CC(C)[N@H+]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1 ZINC000006049684 452917691 /nfs/dbraw/zinc/91/76/91/452917691.db2.gz AZFQVQKMJIYNSN-UHFFFAOYSA-N 1 1 349.500 3.132 40 0 EGABMO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000007579537 453086909 /nfs/dbraw/zinc/08/69/09/453086909.db2.gz VFQIOGRXSHSNAP-WMLDXEAASA-N 1 1 338.879 3.346 40 0 EGABMO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000007579537 453086918 /nfs/dbraw/zinc/08/69/18/453086918.db2.gz VFQIOGRXSHSNAP-WMLDXEAASA-N 1 1 338.879 3.346 40 0 EGABMO Cc1ccc2nc(C[N@H+]3CCC[C@@H]3c3cccs3)cc(=O)n2c1 ZINC000008319988 453189709 /nfs/dbraw/zinc/18/97/09/453189709.db2.gz LGTKVLKBSNNWSV-OAHLLOKOSA-N 1 1 325.437 3.402 40 0 EGABMO COc1ccc(C[N@@H+](Cc2ccc(C)o2)C[C@@H]2CCCO2)cc1O ZINC000012187422 453348341 /nfs/dbraw/zinc/34/83/41/453348341.db2.gz YAOHDYYVTDJYLU-INIZCTEOSA-N 1 1 331.412 3.483 40 0 EGABMO COc1ccc(C[N@H+](Cc2ccc(C)o2)C[C@@H]2CCCO2)cc1O ZINC000012187422 453348349 /nfs/dbraw/zinc/34/83/49/453348349.db2.gz YAOHDYYVTDJYLU-INIZCTEOSA-N 1 1 331.412 3.483 40 0 EGABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1Cl ZINC000012995239 453434862 /nfs/dbraw/zinc/43/48/62/453434862.db2.gz ZHYLKHMJJBZAFI-UHFFFAOYSA-N 1 1 344.842 3.102 40 0 EGABMO OCC[N@H+](Cc1cccnc1)Cc1ccccc1OCc1ccccn1 ZINC000013569609 453471634 /nfs/dbraw/zinc/47/16/34/453471634.db2.gz MPXJFNXRBFPBQT-UHFFFAOYSA-N 1 1 349.434 3.050 40 0 EGABMO OCC[N@@H+](Cc1cccnc1)Cc1ccccc1OCc1ccccn1 ZINC000013569609 453471640 /nfs/dbraw/zinc/47/16/40/453471640.db2.gz MPXJFNXRBFPBQT-UHFFFAOYSA-N 1 1 349.434 3.050 40 0 EGABMO COc1ccc(C[N@H+](Cc2sccc2C)C[C@H](C)O)cc1OC ZINC000013991430 453494948 /nfs/dbraw/zinc/49/49/48/453494948.db2.gz UYCGZSQJIJPWHI-AWEZNQCLSA-N 1 1 335.469 3.457 40 0 EGABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2C ZINC000019713841 453658908 /nfs/dbraw/zinc/65/89/08/453658908.db2.gz HVNDZXGEIANCAL-ZWKOTPCHSA-N 1 1 332.492 3.056 40 0 EGABMO O[C@@H](COCc1ccco1)C[N@H+]1CCc2sccc2[C@@H]1C1CC1 ZINC000025697653 453783421 /nfs/dbraw/zinc/78/34/21/453783421.db2.gz OPXFGKBQAYKWLB-KDOFPFPSSA-N 1 1 333.453 3.228 40 0 EGABMO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000028234542 453822734 /nfs/dbraw/zinc/82/27/34/453822734.db2.gz XPECJTSWPXNAAP-IBGZPJMESA-N 1 1 337.423 3.248 40 0 EGABMO C[C@H](Oc1ccccc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029839119 453832092 /nfs/dbraw/zinc/83/20/92/453832092.db2.gz FVUPDSOBSDYOSB-KRWDZBQOSA-N 1 1 338.451 3.019 40 0 EGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCN(C)c2ccccc2)cc1 ZINC000044916949 454126585 /nfs/dbraw/zinc/12/65/85/454126585.db2.gz GNZHFDJEZMJWDG-UHFFFAOYSA-N 1 1 348.450 3.106 40 0 EGABMO COc1cccc2cc([C@H](C)NC(=O)C[N@@H+](C)[C@@H]3CCSC3)oc21 ZINC000095449021 454215274 /nfs/dbraw/zinc/21/52/74/454215274.db2.gz LXYSXCZQYPDRSW-GXTWGEPZSA-N 1 1 348.468 3.056 40 0 EGABMO COc1ccc([C@H]([NH3+])c2nnc(-c3ccc(Cl)cc3)[nH]2)cc1OC ZINC000095533812 454230099 /nfs/dbraw/zinc/23/00/99/454230099.db2.gz QCFLFNMRMQZOQD-HNNXBMFYSA-N 1 1 344.802 3.190 40 0 EGABMO CCOc1cc(-c2nnc([C@H]([NH3+])c3ccc(C)cc3)[nH]2)ccc1OC ZINC000095534198 454230457 /nfs/dbraw/zinc/23/04/57/454230457.db2.gz UEMRPIOMDCFEEH-QGZVFWFLSA-N 1 1 338.411 3.236 40 0 EGABMO O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096047023 454269193 /nfs/dbraw/zinc/26/91/93/454269193.db2.gz VYUZBHDABYBVMT-LJQANCHMSA-N 1 1 341.480 3.271 40 0 EGABMO O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](Cc3ccncc3)C2)C1 ZINC000096047027 454269550 /nfs/dbraw/zinc/26/95/50/454269550.db2.gz RDRXPHQEIMIUSO-LJQANCHMSA-N 1 1 341.480 3.271 40 0 EGABMO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccoc4)C3)C2)cc1 ZINC000096047609 454269815 /nfs/dbraw/zinc/26/98/15/454269815.db2.gz ALNHPADQVLGLED-HKUYNNGSSA-N 1 1 328.412 3.134 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)o1 ZINC000096057068 454274465 /nfs/dbraw/zinc/27/44/65/454274465.db2.gz STWOGAGBXPFSIH-AZUAARDMSA-N 1 1 342.439 3.433 40 0 EGABMO COc1ccc(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC000096061980 454277702 /nfs/dbraw/zinc/27/77/02/454277702.db2.gz WNXYBGLQWNOUCN-MRXNPFEDSA-N 1 1 342.487 3.309 40 0 EGABMO O=C(C1CC=CC1)N1CCC2(CCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000096063022 454278595 /nfs/dbraw/zinc/27/85/95/454278595.db2.gz CCYWJBNLSUSJFN-UHFFFAOYSA-N 1 1 339.483 3.252 40 0 EGABMO c1csc(CN2CCO[C@@]3(CCC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC000096074945 454279502 /nfs/dbraw/zinc/27/95/02/454279502.db2.gz ZJNGWVDGBZDTFY-LJQANCHMSA-N 1 1 343.496 3.010 40 0 EGABMO O=C1N(c2cccnc2)CC[C@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096074034 454280432 /nfs/dbraw/zinc/28/04/32/454280432.db2.gz JHRAGYGRNBWUOI-SFHVURJKSA-N 1 1 327.453 3.162 40 0 EGABMO Cc1cccc(C[N@H+]2CC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)c1 ZINC000096107635 454285781 /nfs/dbraw/zinc/28/57/81/454285781.db2.gz BNOAPJQFMYWJRB-SFTDATJTSA-N 1 1 338.451 3.340 40 0 EGABMO Cc1occc1C(=O)N1CCC2(CC[N@@H+](Cc3nccs3)C2)CC1 ZINC000096157448 454294542 /nfs/dbraw/zinc/29/45/42/454294542.db2.gz GXGSVFCHOFMFBQ-UHFFFAOYSA-N 1 1 345.468 3.173 40 0 EGABMO c1csc(COC[C@H]2CCC[C@]23C[N@H+](Cc2ccoc2)CCO3)n1 ZINC000096159974 454295338 /nfs/dbraw/zinc/29/53/38/454295338.db2.gz YRAFWCRRHQVNQO-AEFFLSMTSA-N 1 1 348.468 3.324 40 0 EGABMO c1csc(COC[C@H]2CCC[C@]23C[N@@H+](Cc2ccoc2)CCO3)n1 ZINC000096159974 454295345 /nfs/dbraw/zinc/29/53/45/454295345.db2.gz YRAFWCRRHQVNQO-AEFFLSMTSA-N 1 1 348.468 3.324 40 0 EGABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccco3)CC2)N1Cc1ccncc1 ZINC000096218081 454307793 /nfs/dbraw/zinc/30/77/93/454307793.db2.gz WPSDEPPOMHAQOL-FQEVSTJZSA-N 1 1 339.439 3.222 40 0 EGABMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)C1CCC1)CC2 ZINC000096221046 454309168 /nfs/dbraw/zinc/30/91/68/454309168.db2.gz ZNMUEVLUIAULHM-IBGZPJMESA-N 1 1 342.483 3.069 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238798 454310692 /nfs/dbraw/zinc/31/06/92/454310692.db2.gz NJRRRHABNRMZIC-LJQANCHMSA-N 1 1 343.402 3.060 40 0 EGABMO Cc1nc(COC[C@H]2C[C@@H]3OCC[N@H+](Cc4ccco4)[C@H]3C2)cs1 ZINC000096250648 454311993 /nfs/dbraw/zinc/31/19/93/454311993.db2.gz LCIALNBLZGDAFR-JLSDUUJJSA-N 1 1 348.468 3.241 40 0 EGABMO Cc1nc(COC[C@H]2C[C@@H]3OCC[N@@H+](Cc4ccco4)[C@H]3C2)cs1 ZINC000096250648 454311995 /nfs/dbraw/zinc/31/19/95/454311995.db2.gz LCIALNBLZGDAFR-JLSDUUJJSA-N 1 1 348.468 3.241 40 0 EGABMO COC[C@@H]1CC2(CN1Cc1csc(C)n1)CC[NH+](CC1CC1)CC2 ZINC000096240358 454312051 /nfs/dbraw/zinc/31/20/51/454312051.db2.gz NEQQWLCRQGXVHS-SFHVURJKSA-N 1 1 349.544 3.164 40 0 EGABMO CC(C)[N@H+](C)CC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000096406452 454324275 /nfs/dbraw/zinc/32/42/75/454324275.db2.gz DFWFVWRAPZXTAC-XMMPIXPASA-N 1 1 344.480 3.273 40 0 EGABMO CC(C)[N@@H+](C)CC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000096406452 454324280 /nfs/dbraw/zinc/32/42/80/454324280.db2.gz DFWFVWRAPZXTAC-XMMPIXPASA-N 1 1 344.480 3.273 40 0 EGABMO COc1cc(C[N@@H+](C)CCc2ccncc2)c(SC)cc1OC ZINC000096421190 454336386 /nfs/dbraw/zinc/33/63/86/454336386.db2.gz UYGUTOJKPUDIJW-UHFFFAOYSA-N 1 1 332.469 3.495 40 0 EGABMO Fc1ccc(-c2nnc(C[NH+]3CCC(OCC4CC4)CC3)o2)cc1 ZINC000096443603 454351946 /nfs/dbraw/zinc/35/19/46/454351946.db2.gz YDHLKNFWOFOBPZ-UHFFFAOYSA-N 1 1 331.391 3.267 40 0 EGABMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCSC1 ZINC000096486741 454367749 /nfs/dbraw/zinc/36/77/49/454367749.db2.gz QTJAYFVBAJEUDB-CZUORRHYSA-N 1 1 340.439 3.066 40 0 EGABMO Cc1cc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)ccc1Cl ZINC000096500137 454371976 /nfs/dbraw/zinc/37/19/76/454371976.db2.gz ZGVHFJZKWHUUEH-ZDUSSCGKSA-N 1 1 346.822 3.303 40 0 EGABMO CO[C@H]1CCCCC[C@H]1[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000097212898 454425478 /nfs/dbraw/zinc/42/54/78/454425478.db2.gz VHHBXTIROFSOPE-CVEARBPZSA-N 1 1 337.489 3.096 40 0 EGABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4cccnc4)C3)o2)cc1 ZINC000049170229 454537009 /nfs/dbraw/zinc/53/70/09/454537009.db2.gz AOXVKSNAZRZWKR-KRWDZBQOSA-N 1 1 349.438 3.187 40 0 biogenic,in-vitro EGABMO Cc1noc(C)c1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000065286854 454549169 /nfs/dbraw/zinc/54/91/69/454549169.db2.gz VDOLYRAUYWEUNQ-INIZCTEOSA-N 1 1 337.427 3.456 40 0 EGABMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCc2c3ccccc3[nH]c21 ZINC000137587030 454783182 /nfs/dbraw/zinc/78/31/82/454783182.db2.gz BLROAGZNDOJDHY-SFHVURJKSA-N 1 1 334.419 3.483 40 0 EGABMO O=c1cc([C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)nc(-c2ccncc2)[nH]1 ZINC000247813180 455647504 /nfs/dbraw/zinc/64/75/04/455647504.db2.gz CAYHPOHBXLBIEM-WBVHZDCISA-N 1 1 336.439 3.390 40 0 EGABMO CC(C)C(=O)N1CCCc2cc([C@H](O)C[N@H+]3CCC[C@H](C)C3)ccc21 ZINC000248166510 455692324 /nfs/dbraw/zinc/69/23/24/455692324.db2.gz OPSKSEGKNBSNDR-OXJNMPFZSA-N 1 1 344.499 3.387 40 0 EGABMO O[C@H]1C[C@H](c2ccccc2C(F)(F)F)[N@@H+](CC2=CCCOC2)C1 ZINC000253417069 455842487 /nfs/dbraw/zinc/84/24/87/455842487.db2.gz CMNZBURXCCECBS-XJKSGUPXSA-N 1 1 327.346 3.160 40 0 EGABMO c1ncc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)[nH]1 ZINC000253431476 455847380 /nfs/dbraw/zinc/84/73/80/455847380.db2.gz SCULQIIOFDKJRX-DNVCBOLYSA-N 1 1 335.411 3.013 40 0 EGABMO c1nc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c[nH]1 ZINC000253431476 455847384 /nfs/dbraw/zinc/84/73/84/455847384.db2.gz SCULQIIOFDKJRX-DNVCBOLYSA-N 1 1 335.411 3.013 40 0 EGABMO c1nc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c[nH]1 ZINC000253431476 455847390 /nfs/dbraw/zinc/84/73/90/455847390.db2.gz SCULQIIOFDKJRX-DNVCBOLYSA-N 1 1 335.411 3.013 40 0 EGABMO Cc1ncc(CN(C)C)c([C@H]2CCC[N@H+]2CCc2ccc(F)cc2)n1 ZINC000257215396 455879926 /nfs/dbraw/zinc/87/99/26/455879926.db2.gz CPYFTDCSGHUIJD-LJQANCHMSA-N 1 1 342.462 3.365 40 0 EGABMO Cc1ccc(C[NH+]2CCC(Cc3cnc(CN(C)C)cn3)CC2)s1 ZINC000257281363 455882056 /nfs/dbraw/zinc/88/20/56/455882056.db2.gz OOVNMRGRJJMNEX-UHFFFAOYSA-N 1 1 344.528 3.363 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Oc1cccc(OC)c1 ZINC000260492742 455899190 /nfs/dbraw/zinc/89/91/90/455899190.db2.gz TYASKSAOCALWHG-DLBZAZTESA-N 1 1 348.487 3.233 40 0 EGABMO c1coc(C[N@H+]2CC[C@@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306142949 456566804 /nfs/dbraw/zinc/56/68/04/456566804.db2.gz XOYWGISKCBUTPV-NRFANRHFSA-N 1 1 346.434 3.234 40 0 EGABMO CCC[N@@H+]1C[C@@H]2c3cc(-c4ccccc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306142399 456568014 /nfs/dbraw/zinc/56/80/14/456568014.db2.gz WYQGOAYLALGFET-IEBWSBKVSA-N 1 1 327.449 3.319 40 0 EGABMO CCC[N@H+]1C[C@@H]2c3cc(-c4ccccc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306142399 456568015 /nfs/dbraw/zinc/56/80/15/456568015.db2.gz WYQGOAYLALGFET-IEBWSBKVSA-N 1 1 327.449 3.319 40 0 EGABMO C[N@@H+]1CC[C@@H](COCc2ccncc2)CC12CN(CC1CCCC1)C2 ZINC000585103697 459824480 /nfs/dbraw/zinc/82/44/80/459824480.db2.gz YLXMRHRRDQQHTL-HXUWFJFHSA-N 1 1 343.515 3.185 40 0 EGABMO C[N@H+]1CC[C@@H](COCc2ccncc2)CC12CN(CC1CCCC1)C2 ZINC000585103697 459824484 /nfs/dbraw/zinc/82/44/84/459824484.db2.gz YLXMRHRRDQQHTL-HXUWFJFHSA-N 1 1 343.515 3.185 40 0 EGABMO Cc1cccc(CO[C@@H]2CSC3(C[NH+](Cc4ccoc4)C3)C2)n1 ZINC000585105322 459825425 /nfs/dbraw/zinc/82/54/25/459825425.db2.gz TXTVGFNAPUPXRL-KRWDZBQOSA-N 1 1 330.453 3.260 40 0 EGABMO CN1CC[C@]23c4ccccc4N[C@H]1[C@]21CC[N@H+](C)[C@H]3Nc2ccccc21 ZINC000053277633 214173397 /nfs/dbraw/zinc/17/33/97/214173397.db2.gz XSYCDVWYEVUDKQ-GXRSIYKFSA-N 1 1 346.478 3.037 40 0 biogenic,in-vitro EGABMO CN1CC[C@]23c4ccccc4N[C@H]1[C@]21CC[N@@H+](C)[C@H]3Nc2ccccc21 ZINC000053277633 214173402 /nfs/dbraw/zinc/17/34/02/214173402.db2.gz XSYCDVWYEVUDKQ-GXRSIYKFSA-N 1 1 346.478 3.037 40 0 biogenic,in-vitro EGABMO C[C@H](NC(=O)N1CCSCC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000225626952 299115874 /nfs/dbraw/zinc/11/58/74/299115874.db2.gz VBHPEOIHMOPGNC-JYJNAYRXSA-N 1 1 339.549 3.176 40 0 EGABMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2ccccc2oc1=O ZINC000004028876 210103623 /nfs/dbraw/zinc/10/36/23/210103623.db2.gz RSECRXHUBSWNPG-WBVHZDCISA-N 1 1 341.407 3.214 40 0 biogenic EGABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1OCc1ccccn1 ZINC000072324653 216151186 /nfs/dbraw/zinc/15/11/86/216151186.db2.gz PSALXLDQUOSPMJ-YLJYHZDGSA-N 1 1 337.467 3.329 40 0 EGABMO CC[NH+]1CCN([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1 ZINC000023467809 212378912 /nfs/dbraw/zinc/37/89/12/212378912.db2.gz YCCYMBINLZEPAC-FQEVSTJZSA-N 1 1 337.467 3.312 40 0 EGABMO Cn1c[nH+]cc1CCc1nc(-c2cc(Br)cs2)no1 ZINC000193177917 240047451 /nfs/dbraw/zinc/04/74/51/240047451.db2.gz FNHIXHFIGFRZJN-UHFFFAOYSA-N 1 1 339.218 3.079 40 0 EGABMO COc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)C[C@@H]2c2cccs2)cc1 ZINC000227150466 242121769 /nfs/dbraw/zinc/12/17/69/242121769.db2.gz XBOVYNUCTICSID-CJNGLKHVSA-N 1 1 345.468 3.224 40 0 EGABMO O=C(Cn1c2ccccc2nc1C[NH+]1CCCCC1)N1CCCCC1 ZINC000021171111 212213749 /nfs/dbraw/zinc/21/37/49/212213749.db2.gz YHYSBCIGTZQIBV-UHFFFAOYSA-N 1 1 340.471 3.035 40 0 EGABMO c1csc(C[N@H+]2CCO[C@H]3C[C@@H](COCc4ccccn4)C[C@H]32)c1 ZINC000253588877 244029870 /nfs/dbraw/zinc/02/98/70/244029870.db2.gz XHELEDPQKOSEAG-IPELMVKDSA-N 1 1 344.480 3.339 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3C[C@@H](COCc4ccccn4)C[C@H]32)c1 ZINC000253588877 244029879 /nfs/dbraw/zinc/02/98/79/244029879.db2.gz XHELEDPQKOSEAG-IPELMVKDSA-N 1 1 344.480 3.339 40 0 EGABMO CNC(=O)c1sc2nc([C@@]3(C)CCC[N@H+](C(C)C)C3)ccc2c1N ZINC000257208163 244141326 /nfs/dbraw/zinc/14/13/26/244141326.db2.gz BLADLXLYAKQVKI-SFHVURJKSA-N 1 1 346.500 3.000 40 0 EGABMO c1c2ccccc2sc1C[N@@H+]1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257242131 244246960 /nfs/dbraw/zinc/24/69/60/244246960.db2.gz IBFUFSWPUYPWDF-HNNXBMFYSA-N 1 1 339.464 3.382 40 0 EGABMO Cc1cc(-c2nccn2C)nc([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257272200 244381215 /nfs/dbraw/zinc/38/12/15/244381215.db2.gz NBLFLPUGMDNLLK-KRWDZBQOSA-N 1 1 333.439 3.175 40 0 EGABMO Cn1cc(C[N@H+]2CC[C@H](C(=O)N3CCCCC3)C2)c2cc(F)ccc21 ZINC000019747929 212061532 /nfs/dbraw/zinc/06/15/32/212061532.db2.gz XFJZPVIGZNMHBM-HNNXBMFYSA-N 1 1 343.446 3.152 40 0 EGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1ccno1 ZINC000019589116 212048652 /nfs/dbraw/zinc/04/86/52/212048652.db2.gz PBCYZJXPNQFLNG-SCTDSRPQSA-N 1 1 339.439 3.157 40 0 EGABMO CCC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019499275 212033692 /nfs/dbraw/zinc/03/36/92/212033692.db2.gz ZNYTWEUOPIDIIV-RDJZCZTQSA-N 1 1 344.484 3.018 40 0 EGABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3[nH]nc4nccnc43)C2)c(F)c1 ZINC000019293062 212013263 /nfs/dbraw/zinc/01/32/63/212013263.db2.gz ZCGHNEJVWYNEHR-GFCCVEGCSA-N 1 1 329.354 3.011 40 0 EGABMO Cc1[nH+]ccn1CCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000019288074 212011170 /nfs/dbraw/zinc/01/11/70/212011170.db2.gz QVZXUKFGJMKQCN-UHFFFAOYSA-N 1 1 344.415 3.407 40 0 EGABMO CCOCCCC(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000078152406 217026268 /nfs/dbraw/zinc/02/62/68/217026268.db2.gz VWWPWKVDWMIFOC-HOTGVXAUSA-N 1 1 334.460 3.051 40 0 EGABMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)cc(C)c1 ZINC000079350339 217212552 /nfs/dbraw/zinc/21/25/52/217212552.db2.gz YZUZQPGEFWEUDE-QGZVFWFLSA-N 1 1 326.444 3.419 40 0 EGABMO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)cc(C)c1 ZINC000079350339 217212555 /nfs/dbraw/zinc/21/25/55/217212555.db2.gz YZUZQPGEFWEUDE-QGZVFWFLSA-N 1 1 326.444 3.419 40 0 EGABMO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1Oc1ccncc1 ZINC000079361768 217216467 /nfs/dbraw/zinc/21/64/67/217216467.db2.gz HONKKXNBSCADNX-INIZCTEOSA-N 1 1 339.439 3.206 40 0 EGABMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccco2)[C@@H]1c1cccs1 ZINC000080564620 217313920 /nfs/dbraw/zinc/31/39/20/217313920.db2.gz IBICKUORQFEJNB-CZUORRHYSA-N 1 1 333.457 3.223 40 0 EGABMO Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCOCC2)nc1 ZINC000095416662 218355342 /nfs/dbraw/zinc/35/53/42/218355342.db2.gz IYQITLFIJJDAAR-OAHLLOKOSA-N 1 1 329.419 3.217 40 0 EGABMO COc1ccccc1[C@@H]([NH3+])C(=O)N(C)Cc1ccc(SC)cc1 ZINC000095427973 218370137 /nfs/dbraw/zinc/37/01/37/218370137.db2.gz AOLIQDFYUJONJE-QGZVFWFLSA-N 1 1 330.453 3.076 40 0 EGABMO Cc1cccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Br)cc2)c1 ZINC000072227411 257686235 /nfs/dbraw/zinc/68/62/35/257686235.db2.gz CAQDNOQPAMOWBN-GJZGRUSLSA-N 1 1 331.213 3.173 40 0 EGABMO C[N@@H+](CCOc1ccccc1F)[C@H]1CCCN(c2ccccc2)C1=O ZINC000078736583 132816971 /nfs/dbraw/zinc/81/69/71/132816971.db2.gz ATKJRVYSHWFKSK-SFHVURJKSA-N 1 1 342.414 3.332 40 0 EGABMO CCN(C(=O)Cc1cccnc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000096410052 276062065 /nfs/dbraw/zinc/06/20/65/276062065.db2.gz SFLZGBKELHZEKC-PXNSSMCTSA-N 1 1 337.467 3.308 40 0 EGABMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000390833578 324283181 /nfs/dbraw/zinc/28/31/81/324283181.db2.gz JPZYEZVFJYQNAQ-MNOVXSKESA-N 1 1 343.258 3.479 40 0 EGABMO OCc1ccc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000239722600 455262429 /nfs/dbraw/zinc/26/24/29/455262429.db2.gz CDRYBQDWPZATFU-SFHVURJKSA-N 1 1 349.377 3.354 40 0 EGABMO OCc1ccc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000239722600 455262432 /nfs/dbraw/zinc/26/24/32/455262432.db2.gz CDRYBQDWPZATFU-SFHVURJKSA-N 1 1 349.377 3.354 40 0 EGABMO COc1cc(C=O)ccc1OCCC[N@H+]1CCc2ccccc2C1 ZINC000008731583 453229494 /nfs/dbraw/zinc/22/94/94/453229494.db2.gz IMSADFWUIDKLSV-UHFFFAOYSA-N 1 1 325.408 3.335 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(OC)cc(OC)c1 ZINC000010543037 453295598 /nfs/dbraw/zinc/29/55/98/453295598.db2.gz HODXLPQGEQGAPX-MRXNPFEDSA-N 1 1 334.460 3.088 40 0 EGABMO Cc1nc([C@H]2CCCC[N@H+]2C(C)C)nc2c1CCC(=O)N2CC1CC1 ZINC000019741231 453658421 /nfs/dbraw/zinc/65/84/21/453658421.db2.gz NGNFXECWASRYAV-QGZVFWFLSA-N 1 1 342.487 3.410 40 0 EGABMO Cc1nc([C@H]2CCCC[N@@H+]2C(C)C)nc2c1CCC(=O)N2CC1CC1 ZINC000019741231 453658426 /nfs/dbraw/zinc/65/84/26/453658426.db2.gz NGNFXECWASRYAV-QGZVFWFLSA-N 1 1 342.487 3.410 40 0 EGABMO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C ZINC000058356861 454191995 /nfs/dbraw/zinc/19/19/95/454191995.db2.gz KSHMHVLRSBLNJP-UHFFFAOYSA-N 1 1 338.451 3.066 40 0 EGABMO S=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000046103204 454220050 /nfs/dbraw/zinc/22/00/50/454220050.db2.gz SSYXUKNXPXPBBP-UHFFFAOYSA-N 1 1 325.481 3.421 40 0 EGABMO Fc1ccccc1C[N@H+]1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096042478 454267744 /nfs/dbraw/zinc/26/77/44/454267744.db2.gz VWYNJLJGGBPJHH-AQNXPRMDSA-N 1 1 342.414 3.169 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)o1 ZINC000096046948 454269242 /nfs/dbraw/zinc/26/92/42/454269242.db2.gz GQLFXZFTIZQMRY-HXUWFJFHSA-N 1 1 325.456 3.471 40 0 EGABMO Cc1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)o1 ZINC000096046948 454269245 /nfs/dbraw/zinc/26/92/45/454269245.db2.gz GQLFXZFTIZQMRY-HXUWFJFHSA-N 1 1 325.456 3.471 40 0 EGABMO Cc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)o1 ZINC000096046948 454269250 /nfs/dbraw/zinc/26/92/50/454269250.db2.gz GQLFXZFTIZQMRY-HXUWFJFHSA-N 1 1 325.456 3.471 40 0 EGABMO Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccncc4)C3)C2=O)c1 ZINC000096050580 454272419 /nfs/dbraw/zinc/27/24/19/454272419.db2.gz SQLIVIXTUBQYTF-OAQYLSRUSA-N 1 1 335.451 3.015 40 0 EGABMO FC1(F)CC[N@@H+](Cc2cccnc2)C[C@]12CCN(c1ccccn1)C2 ZINC000096051157 454272928 /nfs/dbraw/zinc/27/29/28/454272928.db2.gz FLJQMBPRQVQEOG-SFHVURJKSA-N 1 1 344.409 3.214 40 0 EGABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Br)s1 ZINC000072227213 454275730 /nfs/dbraw/zinc/27/57/30/454275730.db2.gz DAHNTPKVQCCKJP-NEPJUHHUSA-N 1 1 341.205 3.065 40 0 EGABMO COc1cccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000072227770 454276513 /nfs/dbraw/zinc/27/65/13/454276513.db2.gz WCJYOGMQYJECQY-LSDHHAIUSA-N 1 1 337.206 3.417 40 0 EGABMO Cc1ccsc1C[N@H+]1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000096065893 454278957 /nfs/dbraw/zinc/27/89/57/454278957.db2.gz JCQHFCOLHBSMOV-JENIJYKNSA-N 1 1 344.480 3.400 40 0 EGABMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C)nn2)CC3)cs1 ZINC000096075304 454280329 /nfs/dbraw/zinc/28/03/29/454280329.db2.gz JHAXHCSALRAAQJ-UHFFFAOYSA-N 1 1 343.500 3.185 40 0 EGABMO c1coc(C[N@@H+]2CCO[C@@]3(CCC[C@@H]3COCc3ccccn3)C2)c1 ZINC000096160030 454295960 /nfs/dbraw/zinc/29/59/60/454295960.db2.gz DFGSSKHRAZFSCE-XLIONFOSSA-N 1 1 342.439 3.263 40 0 EGABMO c1coc(C[N@H+]2CCO[C@@]3(CCC[C@@H]3COCc3ccccn3)C2)c1 ZINC000096160030 454295962 /nfs/dbraw/zinc/29/59/62/454295962.db2.gz DFGSSKHRAZFSCE-XLIONFOSSA-N 1 1 342.439 3.263 40 0 EGABMO Cc1cccc(C[N@@H+]2CCN(Cc3ccncc3)c3ncccc3C2)n1 ZINC000096198971 454302326 /nfs/dbraw/zinc/30/23/26/454302326.db2.gz GBQWNHKYNJUOIR-UHFFFAOYSA-N 1 1 345.450 3.202 40 0 EGABMO Cc1cccc(C[N@H+]2CCN(Cc3ccncc3)c3ncccc3C2)n1 ZINC000096198971 454302332 /nfs/dbraw/zinc/30/23/32/454302332.db2.gz GBQWNHKYNJUOIR-UHFFFAOYSA-N 1 1 345.450 3.202 40 0 EGABMO COC[C@H]1CCC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)[N@H+]1C ZINC000096209277 454306286 /nfs/dbraw/zinc/30/62/86/454306286.db2.gz MHWJRGPVYZGZRB-OAHLLOKOSA-N 1 1 336.501 3.080 40 0 EGABMO c1cc(C[N@H+]2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@@H]32)cs1 ZINC000096250782 454311560 /nfs/dbraw/zinc/31/15/60/454311560.db2.gz HJMPZLYIJWWOBG-GBESFXJTSA-N 1 1 344.480 3.339 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@@H]32)cs1 ZINC000096250782 454311566 /nfs/dbraw/zinc/31/15/66/454311566.db2.gz HJMPZLYIJWWOBG-GBESFXJTSA-N 1 1 344.480 3.339 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccccc2)C[C@@]12CCN(c1ncccn1)C2 ZINC000096239682 454311924 /nfs/dbraw/zinc/31/19/24/454311924.db2.gz DAKBFDRGPWJNAT-GOSISDBHSA-N 1 1 344.409 3.214 40 0 EGABMO Cc1ccc(CN2CCO[C@H]3C[N@@H+](Cc4ccc(C)c(C)c4)C[C@H]32)o1 ZINC000096248803 454312078 /nfs/dbraw/zinc/31/20/78/454312078.db2.gz KNWSIMUUNLVCLX-RTWAWAEBSA-N 1 1 340.467 3.290 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC000096255357 454313348 /nfs/dbraw/zinc/31/33/48/454313348.db2.gz GQAGRJDKTCPCDU-UHFFFAOYSA-N 1 1 334.423 3.349 40 0 EGABMO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000096414430 454331687 /nfs/dbraw/zinc/33/16/87/454331687.db2.gz XUOJEJSVBJBSSH-ZFWWWQNUSA-N 1 1 342.405 3.342 40 0 EGABMO O[C@H](c1ccccc1)C1(CNC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000090771281 454338944 /nfs/dbraw/zinc/33/89/44/454338944.db2.gz GSNFCDXAVOTKQI-HXUWFJFHSA-N 1 1 328.500 3.497 40 0 EGABMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000096443553 454352219 /nfs/dbraw/zinc/35/22/19/454352219.db2.gz RHKXBQKADZSMCO-ZIAGYGMSSA-N 1 1 331.485 3.072 40 0 EGABMO CC(C)(C)OC(=O)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000096484348 454365997 /nfs/dbraw/zinc/36/59/97/454365997.db2.gz YKNYBBXOYYPXBJ-ZWKOTPCHSA-N 1 1 330.472 3.358 40 0 EGABMO C[N@@H+](Cc1cncs1)C1CCN(c2ncnc3ccccc32)CC1 ZINC000096490025 454368761 /nfs/dbraw/zinc/36/87/61/454368761.db2.gz QVWMMSWFFMCDOK-UHFFFAOYSA-N 1 1 339.468 3.187 40 0 EGABMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Nc1c(F)cc(F)cc1Cl ZINC000110699923 454852225 /nfs/dbraw/zinc/85/22/25/454852225.db2.gz FDJVTCHRMWLIHS-NOZJJQNGSA-N 1 1 331.794 3.422 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2noc3c2CCCCC3)cn1 ZINC000128518316 455064257 /nfs/dbraw/zinc/06/42/57/455064257.db2.gz QXWGXMROGQPLJM-UHFFFAOYSA-N 1 1 337.383 3.085 40 0 EGABMO CCCCOc1ccc(CCC=C2SC(=O)N(CC[NH3+])C2=O)cc1 ZINC000118239821 455101384 /nfs/dbraw/zinc/10/13/84/455101384.db2.gz MPZXLTZVPUSTFY-OMCISZLKSA-N 1 1 348.468 3.336 40 0 EGABMO C[C@H](Oc1ccccc1F)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248157355 455690707 /nfs/dbraw/zinc/69/07/07/455690707.db2.gz WBKJLZWOACODHV-YJBOKZPZSA-N 1 1 342.414 3.108 40 0 EGABMO C[C@H](Oc1ccccc1F)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248157355 455690715 /nfs/dbraw/zinc/69/07/15/455690715.db2.gz WBKJLZWOACODHV-YJBOKZPZSA-N 1 1 342.414 3.108 40 0 EGABMO Cn1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(C2CCCCC2)n1 ZINC000248489297 455716863 /nfs/dbraw/zinc/71/68/63/455716863.db2.gz MUPCTJSTFYAJAX-IAGOWNOFSA-N 1 1 335.517 3.174 40 0 EGABMO Cn1cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c(C2CCCCC2)n1 ZINC000248489297 455716871 /nfs/dbraw/zinc/71/68/71/455716871.db2.gz MUPCTJSTFYAJAX-IAGOWNOFSA-N 1 1 335.517 3.174 40 0 EGABMO COc1ccccc1[C@H](C)C[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000252586150 455822779 /nfs/dbraw/zinc/82/27/79/455822779.db2.gz NUZPKECEMMKQQK-SOAMZJECSA-N 1 1 346.515 3.278 40 0 EGABMO CCc1[nH+]ccn1[C@@H]1CCCN([C@H](C(=O)OC)c2ccsc2)C1 ZINC000253396881 455839116 /nfs/dbraw/zinc/83/91/16/455839116.db2.gz RKYLEWBNGAJUQG-ZBFHGGJFSA-N 1 1 333.457 3.058 40 0 EGABMO Cc1nc(C2CC2)oc1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000253420638 455843987 /nfs/dbraw/zinc/84/39/87/455843987.db2.gz ZIWSHANXQKELEB-GUYCJALGSA-N 1 1 339.439 3.253 40 0 EGABMO OCc1ccc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000253426271 455845686 /nfs/dbraw/zinc/84/56/86/455845686.db2.gz SPGMZZNZMMVLEC-SFHVURJKSA-N 1 1 349.377 3.354 40 0 EGABMO OCc1ccc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000253426271 455845694 /nfs/dbraw/zinc/84/56/94/455845694.db2.gz SPGMZZNZMMVLEC-SFHVURJKSA-N 1 1 349.377 3.354 40 0 EGABMO COc1ccc([C@@H]2C[N@H+](Cc3ccsc3)CCN2C(C)=O)cc1 ZINC000257300085 455886733 /nfs/dbraw/zinc/88/67/33/455886733.db2.gz RSUPGASTMAEILY-SFHVURJKSA-N 1 1 330.453 3.162 40 0 EGABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccsc3)CCN2C(C)=O)cc1 ZINC000257300085 455886739 /nfs/dbraw/zinc/88/67/39/455886739.db2.gz RSUPGASTMAEILY-SFHVURJKSA-N 1 1 330.453 3.162 40 0 EGABMO Nc1nccnc1C[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000257299062 455886918 /nfs/dbraw/zinc/88/69/18/455886918.db2.gz ROOYPVXHZFVUCR-OAHLLOKOSA-N 1 1 333.439 3.062 40 0 EGABMO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)C3)on1 ZINC000257329684 455893527 /nfs/dbraw/zinc/89/35/27/455893527.db2.gz XLAOXBDRUQWOSA-WITVHBPWSA-N 1 1 331.460 3.275 40 0 EGABMO c1coc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306135051 456566672 /nfs/dbraw/zinc/56/66/72/456566672.db2.gz OFXGKGVPTFRISS-QGZVFWFLSA-N 1 1 345.406 3.374 40 0 EGABMO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccco1)C2 ZINC000503832923 458726801 /nfs/dbraw/zinc/72/68/01/458726801.db2.gz YBJIHEIWDGJRLF-WBVHZDCISA-N 1 1 338.398 3.186 40 0 EGABMO CC[C@H](C)[N@H+]1CCOC[C@@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585103639 459823677 /nfs/dbraw/zinc/82/36/77/459823677.db2.gz DZDZEJYYNNLVES-QKLQHJQFSA-N 1 1 330.472 3.097 40 0 EGABMO CCCC[N@H+]1CCOC[C@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585104171 459824072 /nfs/dbraw/zinc/82/40/72/459824072.db2.gz KARFDFLZSABCRA-FXAWDEMLSA-N 1 1 330.472 3.099 40 0 EGABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(Cc3ccc4ccccc4n3)C2)C1 ZINC000585103084 459824084 /nfs/dbraw/zinc/82/40/84/459824084.db2.gz PTBCBYGJZZPANP-KRWDZBQOSA-N 1 1 339.483 3.168 40 0 EGABMO O=c1cc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)cc[nH]1 ZINC000585141764 459829914 /nfs/dbraw/zinc/82/99/14/459829914.db2.gz XRBKHBRKHAQMBX-MRXNPFEDSA-N 1 1 336.395 3.217 40 0 EGABMO C[N@@H+](CCc1ccncc1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585288783 459833484 /nfs/dbraw/zinc/83/34/84/459833484.db2.gz JABPWWADDYCYJE-XUVXKRRUSA-N 1 1 344.430 3.056 40 0 EGABMO C[N@H+]1CCCC[C@H](CNC(=O)NCc2ccc(C3CC3)cc2F)C1 ZINC000624099291 460859395 /nfs/dbraw/zinc/85/93/95/460859395.db2.gz KZEKEECCQAQNNC-CQSZACIVSA-N 1 1 333.451 3.234 40 0 EGABMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccnc(N)c1 ZINC000193342850 536360029 /nfs/dbraw/zinc/36/00/29/536360029.db2.gz AVSPKSNEWWFAKP-UHFFFAOYSA-N 1 1 339.418 3.258 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H](C)Cn2cc(Cl)cn2)cc1 ZINC000028239702 1291304078 /nfs/dbraw/zinc/30/40/78/1291304078.db2.gz UGJSHBDHNODKGX-GFCCVEGCSA-N 1 1 343.818 3.305 40 0 EGABMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)cc1 ZINC000028240775 1291304098 /nfs/dbraw/zinc/30/40/98/1291304098.db2.gz IOGABNISHZZDAL-UHFFFAOYSA-N 1 1 333.351 3.416 40 0 EGABMO O=C1N[C@@]2(C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Nc2ccccc21 ZINC000100208132 219094241 /nfs/dbraw/zinc/09/42/41/219094241.db2.gz GCDQDEGRKPDDRC-UPHUGPLXSA-N 1 1 333.435 3.365 40 0 EGABMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000066055333 215004987 /nfs/dbraw/zinc/00/49/87/215004987.db2.gz ZTZWBICGABZDQN-RBUKOAKNSA-N 1 1 337.419 3.181 40 0 EGABMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cnn(C(C)(C)C)c1 ZINC000183396624 235048172 /nfs/dbraw/zinc/04/81/72/235048172.db2.gz PSWAXIAVMHAQMB-YJBOKZPZSA-N 1 1 327.476 3.356 40 0 EGABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)CC1 ZINC000035446465 213028180 /nfs/dbraw/zinc/02/81/80/213028180.db2.gz PMSHUKMNCNQAEL-ZDUSSCGKSA-N 1 1 347.846 3.281 40 0 biogenic,in-vitro EGABMO CC(C)C[N@H+]1CCC[C@H]1c1nc(-c2ccc(-n3ccnc3)nc2)no1 ZINC000035425755 213027140 /nfs/dbraw/zinc/02/71/40/213027140.db2.gz IUCJFIOKTDIULZ-HNNXBMFYSA-N 1 1 338.415 3.110 40 0 biogenic,in-vitro EGABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(c3cc(C)ncn3)C2)n1 ZINC000072355695 216164953 /nfs/dbraw/zinc/16/49/53/216164953.db2.gz UHVGPCBQXPVTCR-INIZCTEOSA-N 1 1 334.427 3.058 40 0 EGABMO COCC[N@H+]1CCCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072376820 216179580 /nfs/dbraw/zinc/17/95/80/216179580.db2.gz IPSJWOVWMQEHOX-INIZCTEOSA-N 1 1 330.407 3.038 40 0 EGABMO COc1ccccc1[C@@H](CNC(=O)/C=C/c1sccc1C)[NH+](C)C ZINC000023077674 212346359 /nfs/dbraw/zinc/34/63/59/212346359.db2.gz HVNVUTZOBJKABF-ZNFPLGDCSA-N 1 1 344.480 3.497 40 0 EGABMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2cccc(C(F)F)c2)C[C@H](C)O1 ZINC000193778360 240308639 /nfs/dbraw/zinc/30/86/39/240308639.db2.gz IKUUBHSUECSGOS-BETUJISGSA-N 1 1 341.402 3.197 40 0 EGABMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2cccc(C(F)F)c2)C[C@H](C)O1 ZINC000193778360 240308649 /nfs/dbraw/zinc/30/86/49/240308649.db2.gz IKUUBHSUECSGOS-BETUJISGSA-N 1 1 341.402 3.197 40 0 EGABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(F)c(F)c2)C1 ZINC000225736868 242012791 /nfs/dbraw/zinc/01/27/91/242012791.db2.gz UPNANXRQXSWBAL-GFCCVEGCSA-N 1 1 327.444 3.373 40 0 EGABMO Cn1cccc1[C@@H](CNC(=O)C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000021151553 212212746 /nfs/dbraw/zinc/21/27/46/212212746.db2.gz URKZLZQUMFDMML-LJQANCHMSA-N 1 1 339.483 3.287 40 0 EGABMO Cn1cccc1[C@@H](CNC(=O)C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000021151553 212212749 /nfs/dbraw/zinc/21/27/49/212212749.db2.gz URKZLZQUMFDMML-LJQANCHMSA-N 1 1 339.483 3.287 40 0 EGABMO c1cc2n(n1)[C@H](CCOCc1ccccn1)C[N@H+](C1CCCC1)C2 ZINC000253588887 244027955 /nfs/dbraw/zinc/02/79/55/244027955.db2.gz XYFUJUFKNMQIBF-LJQANCHMSA-N 1 1 326.444 3.184 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2cccs2)CC[C@]12CC[C@@H](C(=O)N1CCCC1)O2 ZINC000253604168 244037602 /nfs/dbraw/zinc/03/76/02/244037602.db2.gz VLRRGWVMGZTWDZ-HHXXYDBFSA-N 1 1 348.512 3.130 40 0 EGABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1CO ZINC000257217661 244173550 /nfs/dbraw/zinc/17/35/50/244173550.db2.gz CZZJSSMZUFOPJC-HNNXBMFYSA-N 1 1 332.469 3.414 40 0 EGABMO Cc1ncsc1C[N@H+]1CCC[C@@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257222488 244189875 /nfs/dbraw/zinc/18/98/75/244189875.db2.gz DTLWDBDHQUWTSY-CYBMUJFWSA-N 1 1 340.456 3.011 40 0 EGABMO CN(C)c1nc([C@@]2(C)CCC[N@@H+](Cc3cccnc3)C2)cn2cccc12 ZINC000257273718 244386355 /nfs/dbraw/zinc/38/63/55/244386355.db2.gz NHWMPKMUEJOLAB-NRFANRHFSA-N 1 1 349.482 3.349 40 0 EGABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)[nH]c(=O)c1C ZINC000019555363 212041045 /nfs/dbraw/zinc/04/10/45/212041045.db2.gz LCSRQXLBGNMPDW-AWEZNQCLSA-N 1 1 333.382 3.045 40 0 EGABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1cnc(OC)nc1 ZINC000019527206 212037899 /nfs/dbraw/zinc/03/78/99/212037899.db2.gz KLWHXNHOTUPJJB-INIZCTEOSA-N 1 1 346.500 3.033 40 0 EGABMO Cc1ccsc1C[N@H+]1CCC[C@H](c2noc(-c3cnccn3)n2)C1 ZINC000019238636 212008906 /nfs/dbraw/zinc/00/89/06/212008906.db2.gz MYHDALXXXJETIC-ZDUSSCGKSA-N 1 1 341.440 3.276 40 0 EGABMO OCC[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000078776835 217120544 /nfs/dbraw/zinc/12/05/44/217120544.db2.gz QRQNJXFZIQHWDD-LJQANCHMSA-N 1 1 326.440 3.398 40 0 EGABMO O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)NCc1ccccn1 ZINC000078922960 217149163 /nfs/dbraw/zinc/14/91/63/217149163.db2.gz JRCVMEWIUJEOSG-NRFANRHFSA-N 1 1 349.409 3.216 40 0 EGABMO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097459 217362319 /nfs/dbraw/zinc/36/23/19/217362319.db2.gz CEMMMONWLYPBFP-GJZGRUSLSA-N 1 1 347.427 3.076 40 0 EGABMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097459 217362322 /nfs/dbraw/zinc/36/23/22/217362322.db2.gz CEMMMONWLYPBFP-GJZGRUSLSA-N 1 1 347.427 3.076 40 0 EGABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2cccs2)n1 ZINC000012185916 211313353 /nfs/dbraw/zinc/31/33/53/211313353.db2.gz RHYMOTCWRCHRPK-MRXNPFEDSA-N 1 1 345.468 3.218 40 0 EGABMO CC(C)Oc1ncccc1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000095420387 218360759 /nfs/dbraw/zinc/36/07/59/218360759.db2.gz IDBFDOIBLCBLPC-LFVRLGFBSA-N 1 1 332.469 3.457 40 0 EGABMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1nccc2ccccc21 ZINC000374425350 295394089 /nfs/dbraw/zinc/39/40/89/295394089.db2.gz VBDMOGFRHOFSOL-SFHVURJKSA-N 1 1 347.418 3.030 40 0 EGABMO C[C@@H](C[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000225476583 456085587 /nfs/dbraw/zinc/08/55/87/456085587.db2.gz JHEJKAQFHFQIMK-BLLLJJGKSA-N 1 1 327.877 3.095 40 0 EGABMO C[C@@H](C[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000225476583 456085590 /nfs/dbraw/zinc/08/55/90/456085590.db2.gz JHEJKAQFHFQIMK-BLLLJJGKSA-N 1 1 327.877 3.095 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(OC)cc(OC)c1 ZINC000010543039 453295983 /nfs/dbraw/zinc/29/59/83/453295983.db2.gz HODXLPQGEQGAPX-INIZCTEOSA-N 1 1 334.460 3.088 40 0 EGABMO O[C@]1(c2ccc(F)cc2)CCC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000013266185 453456096 /nfs/dbraw/zinc/45/60/96/453456096.db2.gz JYZMRAZKRRPYGD-UXPWSPDFSA-N 1 1 326.415 3.340 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c(OC)cccc1OC ZINC000013647424 453477801 /nfs/dbraw/zinc/47/78/01/453477801.db2.gz KZNNJIPITKJPJU-OAHLLOKOSA-N 1 1 334.460 3.088 40 0 EGABMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)C1CCCCC1 ZINC000015256844 453563377 /nfs/dbraw/zinc/56/33/77/453563377.db2.gz JZKMUDOUBSGEQA-CQSZACIVSA-N 1 1 329.444 3.015 40 0 EGABMO CCOc1cc(CNCC[NH+](C)C)ccc1OCc1cccs1 ZINC000022076373 453686560 /nfs/dbraw/zinc/68/65/60/453686560.db2.gz KJJQTAZPCXVMBU-UHFFFAOYSA-N 1 1 334.485 3.377 40 0 EGABMO Cc1cccc(C)c1NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000057851507 454151986 /nfs/dbraw/zinc/15/19/86/454151986.db2.gz LZKQJVJYCCWMKU-UHFFFAOYSA-N 1 1 337.467 3.060 40 0 EGABMO CC1CCC([N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)CC1 ZINC000058017038 454161111 /nfs/dbraw/zinc/16/11/11/454161111.db2.gz QXPFMRDNXAMFBZ-PCKAHOCUSA-N 1 1 343.471 3.261 40 0 EGABMO Cc1cccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)n1 ZINC000096039806 454265765 /nfs/dbraw/zinc/26/57/65/454265765.db2.gz UVKUOMVUHHETHJ-WOJBJXKFSA-N 1 1 330.472 3.188 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](c4nc(C)no4)[C@H]3C2)s1 ZINC000096043443 454268618 /nfs/dbraw/zinc/26/86/18/454268618.db2.gz JKTASIIPWGWWRW-BZUAXINKSA-N 1 1 333.457 3.143 40 0 EGABMO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccc(C)o4)C3)C2)cc1 ZINC000096047620 454269424 /nfs/dbraw/zinc/26/94/24/454269424.db2.gz RYDSDZICONIUEZ-PXNSSMCTSA-N 1 1 342.439 3.442 40 0 EGABMO Fc1cnc(N2CCC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)nc1 ZINC000096047173 454270040 /nfs/dbraw/zinc/27/00/40/454270040.db2.gz XIHAUTCLUGHFLR-QGZVFWFLSA-N 1 1 332.448 3.170 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC000096050723 454272509 /nfs/dbraw/zinc/27/25/09/454272509.db2.gz LHSVGRLEFAVCRZ-IBGZPJMESA-N 1 1 343.402 3.060 40 0 EGABMO COc1ccc(CN2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096053875 454273974 /nfs/dbraw/zinc/27/39/74/454273974.db2.gz LIKPMNUTMQLPQJ-RTBURBONSA-N 1 1 340.442 3.398 40 0 EGABMO CC(C)N(C)[C@@H]1CC[N@@H+](CC2CCOCC2)[C@H]1Cc1ccccc1 ZINC000096061678 454276454 /nfs/dbraw/zinc/27/64/54/454276454.db2.gz DZQVOBFJTNHSIP-RTWAWAEBSA-N 1 1 330.516 3.439 40 0 EGABMO c1csc(CN2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)n1 ZINC000096075368 454279842 /nfs/dbraw/zinc/27/98/42/454279842.db2.gz ZNSVANJPCLUALF-UHFFFAOYSA-N 1 1 328.485 3.169 40 0 EGABMO c1cc(C[N@@H+]2CC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)cs1 ZINC000096107634 454285489 /nfs/dbraw/zinc/28/54/89/454285489.db2.gz JTFDHFZONJECPW-ROUUACIJSA-N 1 1 330.453 3.093 40 0 EGABMO COc1ccc(C[C@H]2C[N@H+](Cc3cc(C)on3)CC[C@@H]2OC)cc1 ZINC000096110575 454287664 /nfs/dbraw/zinc/28/76/64/454287664.db2.gz GCFWIEKOSZVOQK-LPHOPBHVSA-N 1 1 330.428 3.071 40 0 EGABMO c1csc(CN2CCO[C@@H](c3[nH+]cn4c3cccc4C3CC3)C2)n1 ZINC000096155863 454294787 /nfs/dbraw/zinc/29/47/87/454294787.db2.gz KQKRKEQSZBVKID-MRXNPFEDSA-N 1 1 340.452 3.242 40 0 EGABMO O=C1[C@@H]2CC[N@@H+](Cc3cccs3)C[C@@H]2OCCN1c1ccsc1 ZINC000096206340 454304112 /nfs/dbraw/zinc/30/41/12/454304112.db2.gz SCOBEWSPLRYRGG-CVEARBPZSA-N 1 1 348.493 3.064 40 0 EGABMO O=C(C1CC1)N1CCC2(CC[C@H](COCC3CC3)[N@H+]2CC2CC2)CC1 ZINC000096207334 454304250 /nfs/dbraw/zinc/30/42/50/454304250.db2.gz NGZJBLHLYKWNRA-LJQANCHMSA-N 1 1 346.515 3.059 40 0 EGABMO Cc1cnc(N[C@@H]2CCO[C@]3(CC[N@@H+](Cc4ccsc4)C3)C2)nc1 ZINC000096208521 454304294 /nfs/dbraw/zinc/30/42/94/454304294.db2.gz UFMALBZSBFBSGM-SJLPKXTDSA-N 1 1 344.484 3.082 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)o1 ZINC000096209183 454305752 /nfs/dbraw/zinc/30/57/52/454305752.db2.gz IZSSLTRKTRSYCL-PMACEKPBSA-N 1 1 342.439 3.323 40 0 EGABMO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4ccncc4)C3)CC2=O)s1 ZINC000096239338 454310338 /nfs/dbraw/zinc/31/03/38/454310338.db2.gz CUQYZOSCHGZKRV-GOSISDBHSA-N 1 1 327.453 3.081 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccccc2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096239720 454311629 /nfs/dbraw/zinc/31/16/29/454311629.db2.gz XKWNHACAZPYHFN-GOSISDBHSA-N 1 1 344.409 3.214 40 0 EGABMO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NCc2ccccn2)o1 ZINC000096415013 454331147 /nfs/dbraw/zinc/33/11/47/454331147.db2.gz RDUFJRULNTYVJI-KRWDZBQOSA-N 1 1 327.428 3.217 40 0 EGABMO Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NCc2ccccn2)o1 ZINC000096415013 454331151 /nfs/dbraw/zinc/33/11/51/454331151.db2.gz RDUFJRULNTYVJI-KRWDZBQOSA-N 1 1 327.428 3.217 40 0 EGABMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2nccs2)[C@@H]1c1cccs1 ZINC000096433656 454344623 /nfs/dbraw/zinc/34/46/23/454344623.db2.gz AKUGBXNTCMXDRE-WCQYABFASA-N 1 1 336.486 3.409 40 0 EGABMO Cc1ccc(N2CCC(NC(=O)N(CC3CC3)CC3CC3)CC2)[nH+]c1 ZINC000096440812 454349876 /nfs/dbraw/zinc/34/98/76/454349876.db2.gz ATIBBTZDSVNWDU-UHFFFAOYSA-N 1 1 342.487 3.190 40 0 EGABMO CC[N@H+](Cc1c(C)noc1C)CC1CCN(c2ccccn2)CC1 ZINC000096441736 454351113 /nfs/dbraw/zinc/35/11/13/454351113.db2.gz BHGHJWTZLAFBOL-UHFFFAOYSA-N 1 1 328.460 3.425 40 0 EGABMO Cc1ncc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)s1 ZINC000096487664 454367269 /nfs/dbraw/zinc/36/72/69/454367269.db2.gz QRQGSWURJGRWAG-AWEZNQCLSA-N 1 1 341.274 3.379 40 0 EGABMO Cc1ncc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)s1 ZINC000096487664 454367272 /nfs/dbraw/zinc/36/72/72/454367272.db2.gz QRQGSWURJGRWAG-AWEZNQCLSA-N 1 1 341.274 3.379 40 0 EGABMO CS[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485946 454367661 /nfs/dbraw/zinc/36/76/61/454367661.db2.gz RFDGLBVFWXPHQO-IXPVHAAZSA-N 1 1 344.883 3.340 40 0 EGABMO C[C@H]1C[C@H](CNC(=O)c2ccc(O)cc2F)C[N@H+]1Cc1ccccc1 ZINC000097100844 454406607 /nfs/dbraw/zinc/40/66/07/454406607.db2.gz ADKJFEHFRDJDMB-GOEBONIOSA-N 1 1 342.414 3.172 40 0 EGABMO O=C(/C=C/c1nc2ccccc2o1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000065607442 454601539 /nfs/dbraw/zinc/60/15/39/454601539.db2.gz PRVGTBSRSHTQQA-SXSDINLZSA-N 1 1 347.418 3.232 40 0 EGABMO CC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000245228467 455281256 /nfs/dbraw/zinc/28/12/56/455281256.db2.gz ZHIFIHIACTXESU-QWFCFKBJSA-N 1 1 331.456 3.284 40 0 EGABMO COCc1nc(CNc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)no1 ZINC000182492633 455525340 /nfs/dbraw/zinc/52/53/40/455525340.db2.gz GNCUTXSVIGXMHX-ZDUSSCGKSA-N 1 1 330.432 3.188 40 0 EGABMO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000185390610 455552913 /nfs/dbraw/zinc/55/29/13/455552913.db2.gz UDCZPTRWZMOKLD-RYUDHWBXSA-N 1 1 325.338 3.090 40 0 EGABMO C[C@@H](c1cnccn1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000185390610 455552918 /nfs/dbraw/zinc/55/29/18/455552918.db2.gz UDCZPTRWZMOKLD-RYUDHWBXSA-N 1 1 325.338 3.090 40 0 EGABMO c1cc(C[N@H+]2CCO[C@@H]3[C@H]2CC[C@H]3COCc2cccnc2)cs1 ZINC000247915812 455654616 /nfs/dbraw/zinc/65/46/16/455654616.db2.gz ZJPAPYSHJOXXQW-OTWHNJEPSA-N 1 1 344.480 3.339 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@@H]3[C@H]2CC[C@H]3COCc2cccnc2)cs1 ZINC000247915812 455654624 /nfs/dbraw/zinc/65/46/24/455654624.db2.gz ZJPAPYSHJOXXQW-OTWHNJEPSA-N 1 1 344.480 3.339 40 0 EGABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@H]3COCc2ccncc2)cc1 ZINC000248094767 455679890 /nfs/dbraw/zinc/67/98/90/455679890.db2.gz MHMRHWOLRNRSKH-FQEVSTJZSA-N 1 1 338.451 3.198 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)o1 ZINC000248100016 455680450 /nfs/dbraw/zinc/68/04/50/455680450.db2.gz NOKMGFWWPQZDEH-KBAYOESNSA-N 1 1 328.412 3.041 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)o1 ZINC000248100016 455680452 /nfs/dbraw/zinc/68/04/52/455680452.db2.gz NOKMGFWWPQZDEH-KBAYOESNSA-N 1 1 328.412 3.041 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)o1 ZINC000248100010 455680483 /nfs/dbraw/zinc/68/04/83/455680483.db2.gz NOKMGFWWPQZDEH-BPQIPLTHSA-N 1 1 328.412 3.041 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)o1 ZINC000248100010 455680485 /nfs/dbraw/zinc/68/04/85/455680485.db2.gz NOKMGFWWPQZDEH-BPQIPLTHSA-N 1 1 328.412 3.041 40 0 EGABMO CCn1cncc1C[N@H+]1C[C@@H]2CCC[C@@](O)(c3ccc(F)cc3)[C@@H]2C1 ZINC000249701598 455767668 /nfs/dbraw/zinc/76/76/68/455767668.db2.gz YQYYLUYPHMUQTK-CWFSZBLJSA-N 1 1 343.446 3.162 40 0 EGABMO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194331114 455828383 /nfs/dbraw/zinc/82/83/83/455828383.db2.gz PMDKYLDYCADXOA-GFCCVEGCSA-N 1 1 335.429 3.114 40 0 EGABMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194331114 455828387 /nfs/dbraw/zinc/82/83/87/455828387.db2.gz PMDKYLDYCADXOA-GFCCVEGCSA-N 1 1 335.429 3.114 40 0 EGABMO Fc1ccc(OC[C@@H]2CCCO2)c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000253369798 455835191 /nfs/dbraw/zinc/83/51/91/455835191.db2.gz IFUSBAMEZKLWQD-ULQDDVLXSA-N 1 1 334.435 3.422 40 0 EGABMO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000253392363 455837368 /nfs/dbraw/zinc/83/73/68/455837368.db2.gz HIDAAGLTELPLOI-SJORKVTESA-N 1 1 346.450 3.260 40 0 EGABMO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000253392363 455837371 /nfs/dbraw/zinc/83/73/71/455837371.db2.gz HIDAAGLTELPLOI-SJORKVTESA-N 1 1 346.450 3.260 40 0 EGABMO Cn1nccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000253428189 455846632 /nfs/dbraw/zinc/84/66/32/455846632.db2.gz CFJIHVLHZQYKNH-OXQOHEQNSA-N 1 1 349.438 3.024 40 0 EGABMO CCc1cc(N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)nc(C)[nH+]1 ZINC000253430292 455847885 /nfs/dbraw/zinc/84/78/85/455847885.db2.gz XQQNDAXXRQBRIW-GOSISDBHSA-N 1 1 342.418 3.392 40 0 EGABMO Cc1cnc(C[N@H+]2CCOC[C@H](Cc3ccc4ccoc4c3)C2)cn1 ZINC000257285012 455882721 /nfs/dbraw/zinc/88/27/21/455882721.db2.gz PFGDECPZMGNOBI-QGZVFWFLSA-N 1 1 337.423 3.222 40 0 EGABMO Cc1cn[nH]c1[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000257286392 455882951 /nfs/dbraw/zinc/88/29/51/455882951.db2.gz PLKUAQYFKPQQCB-QGZVFWFLSA-N 1 1 326.444 3.147 40 0 EGABMO CNc1ncccc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1ncccn1 ZINC000257293489 455885386 /nfs/dbraw/zinc/88/53/86/455885386.db2.gz QPRLTPDGDDEFBK-JFIYKMOQSA-N 1 1 337.471 3.004 40 0 EGABMO CN(C)c1nc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cn2cccc12 ZINC000257311492 455888797 /nfs/dbraw/zinc/88/87/97/455888797.db2.gz UJSGXYSKAJBFKI-QGZVFWFLSA-N 1 1 335.455 3.175 40 0 EGABMO CCN(C(=O)c1c[nH]nc1[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000257336829 455893988 /nfs/dbraw/zinc/89/39/88/455893988.db2.gz YQFAZRLDGZSKHE-SHTZXODSSA-N 1 1 326.444 3.309 40 0 EGABMO CCOc1ccccc1NC(=S)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000260739902 455900150 /nfs/dbraw/zinc/90/01/50/455900150.db2.gz QGLNBUQSMYFDFK-HNNXBMFYSA-N 1 1 335.517 3.494 40 0 EGABMO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@@H](CO)C1 ZINC000195544176 455982008 /nfs/dbraw/zinc/98/20/08/455982008.db2.gz QQCQLJWBIRIREL-VHSXEESVSA-N 1 1 342.226 3.419 40 0 EGABMO COc1cccc([C@H]2[C@H](NC(=O)N(C)C(C)C)CC[N@H+]2C2CC2)c1 ZINC000195555476 455985508 /nfs/dbraw/zinc/98/55/08/455985508.db2.gz RONXRPOSVLNUOV-MSOLQXFVSA-N 1 1 331.460 3.023 40 0 EGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1cc(C)ccn1 ZINC000225451840 456083988 /nfs/dbraw/zinc/08/39/88/456083988.db2.gz SNHGICGSVRSPIA-UHFFFAOYSA-N 1 1 337.452 3.371 40 0 EGABMO CCCC[C@H](C)C(=O)Nc1ccc(CCN2CC[NH+](C)CC2)cc1 ZINC000225692421 456104677 /nfs/dbraw/zinc/10/46/77/456104677.db2.gz ASAIRWNPADFDRV-KRWDZBQOSA-N 1 1 331.504 3.241 40 0 EGABMO CC[N@@H+]1CC=C(c2nn3c(nnc3-c3ccccc3C)s2)CC1 ZINC000226250290 456107465 /nfs/dbraw/zinc/10/74/65/456107465.db2.gz YSAGPMOECPOCQC-UHFFFAOYSA-N 1 1 325.441 3.270 40 0 EGABMO c1coc(C[N@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306143744 456570278 /nfs/dbraw/zinc/57/02/78/456570278.db2.gz YLFNFIALNDUYOC-OAQYLSRUSA-N 1 1 346.434 3.234 40 0 EGABMO COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000363521229 457355389 /nfs/dbraw/zinc/35/53/89/457355389.db2.gz YIUSFRMITVPAOT-RRQGHBQHSA-N 1 1 349.450 3.164 40 0 EGABMO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](CC4CC4)C[C@@H]32)o1 ZINC000585109799 459825332 /nfs/dbraw/zinc/82/53/32/459825332.db2.gz VIHVJOSKXHEQKV-CMKODMSKSA-N 1 1 336.435 3.498 40 0 EGABMO COCC[N@H+]1CCCC[C@H]1C1CCN(C(=O)c2ccccc2)CC1 ZINC000585113233 459826116 /nfs/dbraw/zinc/82/61/16/459826116.db2.gz OUKAIQQOWMPKJL-IBGZPJMESA-N 1 1 330.472 3.040 40 0 EGABMO Cc1cnc(CC[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000187707887 534546473 /nfs/dbraw/zinc/54/64/73/534546473.db2.gz LGHUJPMKDJLVKK-CYBMUJFWSA-N 1 1 338.498 3.091 40 0 EGABMO Cc1cnc(CC[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000187707887 534546479 /nfs/dbraw/zinc/54/64/79/534546479.db2.gz LGHUJPMKDJLVKK-CYBMUJFWSA-N 1 1 338.498 3.091 40 0 EGABMO O=C(c1ccsc1)N1C[C@@]2(CC[N@@H+](CC3CC3)C2)c2ncccc21 ZINC000306128969 547460057 /nfs/dbraw/zinc/46/00/57/547460057.db2.gz HPVHCXGEXHMSQG-IBGZPJMESA-N 1 1 339.464 3.157 40 0 EGABMO CCOC(=O)N1CC[NH+](CCCCOc2ccc(Cl)cc2)CC1 ZINC000004416357 210190960 /nfs/dbraw/zinc/19/09/60/210190960.db2.gz GAJDDJHXLRHFJI-UHFFFAOYSA-N 1 1 340.851 3.273 40 0 EGABMO CC[N@H+]1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)nc(C)n2)C1 ZINC000072363447 216169884 /nfs/dbraw/zinc/16/98/84/216169884.db2.gz DCIAKCIHLOPUOQ-OAHLLOKOSA-N 1 1 326.448 3.135 40 0 EGABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cnc(C)nc2)n1 ZINC000072366765 216172033 /nfs/dbraw/zinc/17/20/33/216172033.db2.gz RUUVNRMNGONUBH-SFHVURJKSA-N 1 1 334.427 3.011 40 0 EGABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cnc(C)nc2)n1 ZINC000072366765 216172036 /nfs/dbraw/zinc/17/20/36/216172036.db2.gz RUUVNRMNGONUBH-SFHVURJKSA-N 1 1 334.427 3.011 40 0 EGABMO Cc1nc2sccn2c1C[N@H+]1CC[C@@H](c2nc(C)cc(C)n2)C1 ZINC000072369803 216178071 /nfs/dbraw/zinc/17/80/71/216178071.db2.gz XLHVLVLWXPUORX-CQSZACIVSA-N 1 1 327.457 3.101 40 0 EGABMO COCCNc1cc([C@@H]2CC[N@@H+]2Cc2ccc(C)cc2)nc(C)n1 ZINC000072387530 216186599 /nfs/dbraw/zinc/18/65/99/216186599.db2.gz XZXOOAJYIDCITA-SFHVURJKSA-N 1 1 326.444 3.099 40 0 EGABMO COCCNc1cc([C@@H]2CC[N@H+]2Cc2ccc(C)cc2)nc(C)n1 ZINC000072387530 216186601 /nfs/dbraw/zinc/18/66/01/216186601.db2.gz XZXOOAJYIDCITA-SFHVURJKSA-N 1 1 326.444 3.099 40 0 EGABMO Cn1nc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c2nccnc21 ZINC000072393854 216192090 /nfs/dbraw/zinc/19/20/90/216192090.db2.gz GDKHRUJCEFGNRZ-CYBMUJFWSA-N 1 1 343.381 3.021 40 0 EGABMO CCOc1ccc([C@](O)(CC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000027346365 212554511 /nfs/dbraw/zinc/55/45/11/212554511.db2.gz LEAHVVILZKEBCN-NRFANRHFSA-N 1 1 341.451 3.044 40 0 EGABMO C=Cn1cc(CN2CCC[N@@H+](Cc3cccc(F)c3)CC2)c(C)n1 ZINC000022916179 212333920 /nfs/dbraw/zinc/33/39/20/212333920.db2.gz UXTZIYILWUDJCR-UHFFFAOYSA-N 1 1 328.435 3.139 40 0 EGABMO C=Cn1cc(C[N@@H+]2CCCN(Cc3cccc(F)c3)CC2)c(C)n1 ZINC000022916179 212333923 /nfs/dbraw/zinc/33/39/23/212333923.db2.gz UXTZIYILWUDJCR-UHFFFAOYSA-N 1 1 328.435 3.139 40 0 EGABMO C=Cn1cc(C[N@H+]2CCCN(Cc3cccc(F)c3)CC2)c(C)n1 ZINC000022916179 212333926 /nfs/dbraw/zinc/33/39/26/212333926.db2.gz UXTZIYILWUDJCR-UHFFFAOYSA-N 1 1 328.435 3.139 40 0 EGABMO CNc1cc([C@@H]2CCC[N@@H+]2Cc2cnn3c2nc(C)cc3C)ccn1 ZINC000257204328 244130665 /nfs/dbraw/zinc/13/06/65/244130665.db2.gz AUAKYTIOQAMVBL-KRWDZBQOSA-N 1 1 336.443 3.120 40 0 EGABMO CNc1cc([C@@H]2CCC[N@H+]2Cc2cnn3c2nc(C)cc3C)ccn1 ZINC000257204328 244130671 /nfs/dbraw/zinc/13/06/71/244130671.db2.gz AUAKYTIOQAMVBL-KRWDZBQOSA-N 1 1 336.443 3.120 40 0 EGABMO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257236688 244229238 /nfs/dbraw/zinc/22/92/38/244229238.db2.gz HDFRFVALZQLIQS-HNNXBMFYSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257236688 244229244 /nfs/dbraw/zinc/22/92/44/244229244.db2.gz HDFRFVALZQLIQS-HNNXBMFYSA-N 1 1 349.442 3.026 40 0 EGABMO COc1cccc(C[NH+]2CC3(C2)CO[C@@H](Cc2cccnc2)C3)c1F ZINC000257270172 244373399 /nfs/dbraw/zinc/37/33/99/244373399.db2.gz MTBGIIAPMFAOBY-KRWDZBQOSA-N 1 1 342.414 3.063 40 0 EGABMO CCCCn1cc(C[N@H+]2CCCC[C@]3(C)NC(=O)CC[C@H]23)c(C)n1 ZINC000257270440 244377647 /nfs/dbraw/zinc/37/76/47/244377647.db2.gz MUGGSPPDLFDWHH-HKUYNNGSSA-N 1 1 332.492 3.015 40 0 EGABMO CNc1cc([C@@H]2CCCN2C(=O)CCn2cc[nH+]c2C(C)C)ccn1 ZINC000257329686 244543796 /nfs/dbraw/zinc/54/37/96/244543796.db2.gz XLAXVIUPODAXLV-INIZCTEOSA-N 1 1 341.459 3.197 40 0 EGABMO CNC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2F)nc1C ZINC000019709311 212055279 /nfs/dbraw/zinc/05/52/79/212055279.db2.gz YCYQIMRFQZEQOV-SFHVURJKSA-N 1 1 327.403 3.226 40 0 EGABMO CNC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2F)nc1C ZINC000019709311 212055276 /nfs/dbraw/zinc/05/52/76/212055276.db2.gz YCYQIMRFQZEQOV-SFHVURJKSA-N 1 1 327.403 3.226 40 0 EGABMO CCC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019499276 212033949 /nfs/dbraw/zinc/03/39/49/212033949.db2.gz ZNYTWEUOPIDIIV-DOTOQJQBSA-N 1 1 344.484 3.018 40 0 EGABMO OCC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(-c2ccccc2)cc1 ZINC000019374200 212024795 /nfs/dbraw/zinc/02/47/95/212024795.db2.gz SAWXWYXFPYPCLZ-YADHBBJMSA-N 1 1 336.479 3.385 40 0 EGABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000014123614 211686875 /nfs/dbraw/zinc/68/68/75/211686875.db2.gz RKIBLFLDOCYQPH-UHFFFAOYSA-N 1 1 344.842 3.102 40 0 EGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc(N)n2n1 ZINC000012185882 211314035 /nfs/dbraw/zinc/31/40/35/211314035.db2.gz YHHQYRVLRKXMQZ-OAHLLOKOSA-N 1 1 339.418 3.139 40 0 EGABMO OC1(c2ccccn2)[C@@H]2CCC[C@H]1C[N@H+](Cc1cccc(F)c1F)C2 ZINC000012089073 211290126 /nfs/dbraw/zinc/29/01/26/211290126.db2.gz NWOJHSBQIRBKKN-NYTJIUQPSA-N 1 1 344.405 3.480 40 0 EGABMO C[N@H+]1CCC[C@H](CNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000009876547 211129670 /nfs/dbraw/zinc/12/96/70/211129670.db2.gz GAHALRUJSWSMDI-LLVKDONJSA-N 1 1 331.407 3.334 40 0 EGABMO CC(C)Oc1ccc(C[NH2+]CC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004859446 210304042 /nfs/dbraw/zinc/30/40/42/210304042.db2.gz VTZLVAXMWLFFNO-FUHIMQAGSA-N 1 1 334.504 3.045 40 0 EGABMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC2CC(c3ccccc3)C2)C1 ZINC000119599394 221357639 /nfs/dbraw/zinc/35/76/39/221357639.db2.gz NIERGDQCLPJZJW-IVMQYODDSA-N 1 1 329.488 3.210 40 0 EGABMO COc1cc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1C ZINC000278849733 275280745 /nfs/dbraw/zinc/28/07/45/275280745.db2.gz KYMCKRLZPGNPIG-INIZCTEOSA-N 1 1 326.444 3.379 40 0 EGABMO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1C ZINC000278849733 275280747 /nfs/dbraw/zinc/28/07/47/275280747.db2.gz KYMCKRLZPGNPIG-INIZCTEOSA-N 1 1 326.444 3.379 40 0 EGABMO COc1cc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1C ZINC000278849733 275280749 /nfs/dbraw/zinc/28/07/49/275280749.db2.gz KYMCKRLZPGNPIG-INIZCTEOSA-N 1 1 326.444 3.379 40 0 EGABMO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)[C@H](C)C2 ZINC000252586105 281116796 /nfs/dbraw/zinc/11/67/96/281116796.db2.gz NMWRACKFUNUYRX-CBGDNZLLSA-N 1 1 328.500 3.319 40 0 EGABMO OCc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000241634619 455268560 /nfs/dbraw/zinc/26/85/60/455268560.db2.gz PNVBZAOQMGVEQD-WOJBJXKFSA-N 1 1 329.415 3.406 40 0 EGABMO COc1cc(OC)c(C(=O)CCC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000000000599 452492292 /nfs/dbraw/zinc/49/22/92/452492292.db2.gz KMXVFCRYIUCLRS-AWEZNQCLSA-N 1 1 335.444 3.407 40 0 in-man EGABMO C[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1Br ZINC000002696125 452714850 /nfs/dbraw/zinc/71/48/50/452714850.db2.gz NVTVIELDMOSXEN-STQMWFEESA-N 1 1 328.250 3.063 40 0 EGABMO CC(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CCCC(C)(C)C3)ccc21 ZINC000012291247 453354949 /nfs/dbraw/zinc/35/49/49/453354949.db2.gz MHAIGNNTCKOVOB-IBGZPJMESA-N 1 1 330.472 3.141 40 0 EGABMO CC(C)n1c2ccccc2nc1C[N@@H+]1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713295 453658294 /nfs/dbraw/zinc/65/82/94/453658294.db2.gz DHACTJYFLOISDH-DLBZAZTESA-N 1 1 340.471 3.250 40 0 EGABMO CC(C)n1c2ccccc2nc1C[N@H+]1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713295 453658296 /nfs/dbraw/zinc/65/82/96/453658296.db2.gz DHACTJYFLOISDH-DLBZAZTESA-N 1 1 340.471 3.250 40 0 EGABMO CCN(CC)CC[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000022076868 453686799 /nfs/dbraw/zinc/68/67/99/453686799.db2.gz CYRADGSSGVZCML-UHFFFAOYSA-N 1 1 330.428 3.165 40 0 EGABMO CC[C@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](CC)CC1 ZINC000030850455 453839586 /nfs/dbraw/zinc/83/95/86/453839586.db2.gz XXDHRDGIGLRQNT-SFHVURJKSA-N 1 1 326.440 3.161 40 0 EGABMO O=C(NCc1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044932054 454127174 /nfs/dbraw/zinc/12/71/74/454127174.db2.gz HHFOHZCJDBXJLQ-QGZVFWFLSA-N 1 1 344.405 3.493 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)cc1 ZINC000096041641 454266155 /nfs/dbraw/zinc/26/61/55/454266155.db2.gz MOCBKEBFQIMKKY-PWRODBHTSA-N 1 1 345.483 3.170 40 0 EGABMO c1cc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cs1 ZINC000096048241 454271585 /nfs/dbraw/zinc/27/15/85/454271585.db2.gz RYGMJMVSWIKWKK-ZWKOTPCHSA-N 1 1 330.453 3.346 40 0 EGABMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)o1 ZINC000096051170 454272169 /nfs/dbraw/zinc/27/21/69/454272169.db2.gz QMFDNGLXNPLBDE-KRWDZBQOSA-N 1 1 348.397 3.116 40 0 EGABMO c1cc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)cs1 ZINC000096049543 454273129 /nfs/dbraw/zinc/27/31/29/454273129.db2.gz SSFJSEBYPSUXEG-IBGZPJMESA-N 1 1 343.496 3.262 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)s1 ZINC000096054038 454274638 /nfs/dbraw/zinc/27/46/38/454274638.db2.gz KQYSFQCJCDYOJZ-ROUUACIJSA-N 1 1 341.480 3.135 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)cc1 ZINC000096057004 454274802 /nfs/dbraw/zinc/27/48/02/454274802.db2.gz BSSPCZNYZFNVOZ-LEWJYISDSA-N 1 1 345.483 3.493 40 0 EGABMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2c[nH+]c(N)cc2C)cc1 ZINC000072218539 454275182 /nfs/dbraw/zinc/27/51/82/454275182.db2.gz MSPVGRMXIVVNKG-KRWDZBQOSA-N 1 1 345.468 3.197 40 0 EGABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072227115 454275433 /nfs/dbraw/zinc/27/54/33/454275433.db2.gz JENCVKKJMGENGU-CABCVRRESA-N 1 1 336.313 3.129 40 0 EGABMO Cn1ccnc1CN1CCC2(CC([N@H+](C)Cc3cccs3)C2)CC1 ZINC000096063168 454279066 /nfs/dbraw/zinc/27/90/66/454279066.db2.gz WUIVYFOAKOWNBH-UHFFFAOYSA-N 1 1 344.528 3.358 40 0 EGABMO Cn1ccnc1CN1CCC2(CC([N@@H+](C)Cc3cccs3)C2)CC1 ZINC000096063168 454279068 /nfs/dbraw/zinc/27/90/68/454279068.db2.gz WUIVYFOAKOWNBH-UHFFFAOYSA-N 1 1 344.528 3.358 40 0 EGABMO c1csc(C[N@@H+]2CC[C@]3(C2)COCCN(Cc2ccoc2)C3)c1 ZINC000096087616 454280187 /nfs/dbraw/zinc/28/01/87/454280187.db2.gz QKQRLVGGYGBEPI-GOSISDBHSA-N 1 1 332.469 3.066 40 0 EGABMO CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3nccs3)C2)C1=O ZINC000096100303 454282656 /nfs/dbraw/zinc/28/26/56/454282656.db2.gz IRGUNIUZLUFOII-IBGZPJMESA-N 1 1 341.480 3.289 40 0 EGABMO c1csc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)c1 ZINC000096107275 454285117 /nfs/dbraw/zinc/28/51/17/454285117.db2.gz SSKWFHOGUFVRTO-MJGOQNOKSA-N 1 1 344.480 3.483 40 0 EGABMO c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCC3CCOCC3)C2)nc1 ZINC000096109193 454285798 /nfs/dbraw/zinc/28/57/98/454285798.db2.gz LHJCHEOKYHDYGB-QUCCMNQESA-N 1 1 330.472 3.127 40 0 EGABMO CCCC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072341112 454293776 /nfs/dbraw/zinc/29/37/76/454293776.db2.gz IUJOUIOLFLMBJD-UWVAXJGDSA-N 1 1 329.440 3.342 40 0 EGABMO CC(C)n1cccc1C[N@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1 ZINC000072339907 454294754 /nfs/dbraw/zinc/29/47/54/454294754.db2.gz BZZXHVGGLZSPMT-UHFFFAOYSA-N 1 1 349.438 3.185 40 0 EGABMO CCOC[C@H]1C[N@H+](Cc2cn(C)c3ccccc23)Cc2cn(C)nc21 ZINC000096198006 454303201 /nfs/dbraw/zinc/30/32/01/454303201.db2.gz UCRQSISMKAAXFD-QGZVFWFLSA-N 1 1 338.455 3.048 40 0 EGABMO CCOC[C@H]1C[N@@H+](Cc2cn(C)c3ccccc23)Cc2cn(C)nc21 ZINC000096198006 454303204 /nfs/dbraw/zinc/30/32/04/454303204.db2.gz UCRQSISMKAAXFD-QGZVFWFLSA-N 1 1 338.455 3.048 40 0 EGABMO c1csc(C[N@H+]2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)c1 ZINC000096249429 454311144 /nfs/dbraw/zinc/31/11/44/454311144.db2.gz XUCSKECROGLCQN-ROUUACIJSA-N 1 1 329.469 3.013 40 0 EGABMO CC[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1cscn1 ZINC000096431763 454342300 /nfs/dbraw/zinc/34/23/00/454342300.db2.gz KADWPQFGFVKIBX-GOSISDBHSA-N 1 1 343.496 3.199 40 0 EGABMO CC(=O)Nc1ccc(C)c(NC(=O)NCCCCn2cc[nH+]c2C)c1 ZINC000096434061 454345459 /nfs/dbraw/zinc/34/54/59/454345459.db2.gz ONWLMBFKAJDWSI-UHFFFAOYSA-N 1 1 343.431 3.060 40 0 EGABMO O=C(NC[C@@H]1OCCc2sccc21)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000096452103 454356650 /nfs/dbraw/zinc/35/66/50/454356650.db2.gz KSSKTVGDDGZSGT-PBHICJAKSA-N 1 1 348.512 3.133 40 0 EGABMO CCc1cnc([C@@H](C)NC2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000096479066 454364001 /nfs/dbraw/zinc/36/40/01/454364001.db2.gz XCQSYRQEIXMOCO-CQSZACIVSA-N 1 1 330.501 3.416 40 0 EGABMO COc1ccc([C@H](C)[NH2+]Cc2cnn(C)c2C)c(Br)c1 ZINC000096493497 454370120 /nfs/dbraw/zinc/37/01/20/454370120.db2.gz KQDMMXWTXAJZAC-JTQLQIEISA-N 1 1 338.249 3.350 40 0 EGABMO COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000096499686 454371697 /nfs/dbraw/zinc/37/16/97/454371697.db2.gz QNVQELPUXOIYMT-BQFCYCMXSA-N 1 1 345.487 3.190 40 0 EGABMO Cc1ncccc1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000097375534 454434119 /nfs/dbraw/zinc/43/41/19/454434119.db2.gz GRQXVFIOODIXBH-BBWFWOEESA-N 1 1 331.460 3.125 40 0 EGABMO COc1ccc(OC)c(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000109033233 454820174 /nfs/dbraw/zinc/82/01/74/454820174.db2.gz OMVFRRMEUIIWAT-UONOGXRCSA-N 1 1 335.448 3.088 40 0 EGABMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC=C(c2ccccc2F)CC1 ZINC000163309442 454838596 /nfs/dbraw/zinc/83/85/96/454838596.db2.gz AXLOYPCUZVXTBD-HNNXBMFYSA-N 1 1 343.446 3.109 40 0 EGABMO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)C(=O)c2cccc(F)c2)[C@H](C)C1 ZINC000110652229 454850469 /nfs/dbraw/zinc/85/04/69/454850469.db2.gz CPKYYEDSOCVBCR-DAYGRLMNSA-N 1 1 348.462 3.223 40 0 EGABMO Cn1cc(-c2cc(C[N@@H+]3CCSC[C@@H]3c3ccccc3)on2)cn1 ZINC000185005644 455484574 /nfs/dbraw/zinc/48/45/74/455484574.db2.gz HWWHKVQZSKCYGH-GOSISDBHSA-N 1 1 340.452 3.365 40 0 EGABMO Cn1cc(-c2cc(C[N@H+]3CCSC[C@@H]3c3ccccc3)on2)cn1 ZINC000185005644 455484576 /nfs/dbraw/zinc/48/45/76/455484576.db2.gz HWWHKVQZSKCYGH-GOSISDBHSA-N 1 1 340.452 3.365 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)o1 ZINC000248078920 455678751 /nfs/dbraw/zinc/67/87/51/455678751.db2.gz IFDLPOIPBSGWNX-QGPMSJSTSA-N 1 1 348.468 3.241 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)o1 ZINC000248078920 455678756 /nfs/dbraw/zinc/67/87/56/455678756.db2.gz IFDLPOIPBSGWNX-QGPMSJSTSA-N 1 1 348.468 3.241 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)o1 ZINC000248100013 455679848 /nfs/dbraw/zinc/67/98/48/455679848.db2.gz NOKMGFWWPQZDEH-CGTJXYLNSA-N 1 1 328.412 3.041 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)o1 ZINC000248100013 455679855 /nfs/dbraw/zinc/67/98/55/455679855.db2.gz NOKMGFWWPQZDEH-CGTJXYLNSA-N 1 1 328.412 3.041 40 0 EGABMO CCc1ocnc1C(=O)OC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000248179510 455695113 /nfs/dbraw/zinc/69/51/13/455695113.db2.gz CKKHVRQLKVUALX-KDOFPFPSSA-N 1 1 344.411 3.095 40 0 EGABMO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248633715 455723279 /nfs/dbraw/zinc/72/32/79/455723279.db2.gz UDCZPTRWZMOKLD-NWDGAFQWSA-N 1 1 325.338 3.090 40 0 EGABMO C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248633715 455723281 /nfs/dbraw/zinc/72/32/81/455723281.db2.gz UDCZPTRWZMOKLD-NWDGAFQWSA-N 1 1 325.338 3.090 40 0 EGABMO COCCC1(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)CCCCC1 ZINC000249940761 455783713 /nfs/dbraw/zinc/78/37/13/455783713.db2.gz SYVKWEDGZQGWQE-KZNAEPCWSA-N 1 1 325.493 3.242 40 0 EGABMO CCc1[nH+]c2ccccc2c(N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1C ZINC000252496022 455814273 /nfs/dbraw/zinc/81/42/73/455814273.db2.gz PEGTXPPYQCYYNX-QGZVFWFLSA-N 1 1 337.427 3.110 40 0 EGABMO Cc1cc(CC[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)cc(C)c1O ZINC000252536803 455820958 /nfs/dbraw/zinc/82/09/58/455820958.db2.gz JPDFASFMXVBQCQ-YZGWKJHDSA-N 1 1 346.515 3.031 40 0 EGABMO Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000257286391 455883174 /nfs/dbraw/zinc/88/31/74/455883174.db2.gz PLKUAQYFKPQQCB-KRWDZBQOSA-N 1 1 326.444 3.147 40 0 EGABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000257299531 455886586 /nfs/dbraw/zinc/88/65/86/455886586.db2.gz RQKZJOOOIFAFKE-NRFANRHFSA-N 1 1 337.467 3.487 40 0 EGABMO CCCC[N@@H+](Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000257328155 455893556 /nfs/dbraw/zinc/89/35/56/455893556.db2.gz XEKOWODOWKTQOJ-QZTJIDSGSA-N 1 1 348.487 3.269 40 0 EGABMO Cc1cccc(N2CCC[C@H](NC(=O)c3ccccc3Cl)C2)[nH+]1 ZINC000257337900 455895256 /nfs/dbraw/zinc/89/52/56/455895256.db2.gz YUYGTDOOFHDWKH-AWEZNQCLSA-N 1 1 329.831 3.442 40 0 EGABMO C[N@H+](Cc1ccc(OCCF)cc1)C[C@H](O)COC1CCCCC1 ZINC000257340316 455895830 /nfs/dbraw/zinc/89/58/30/455895830.db2.gz ZFLZHECZQCJKTK-KRWDZBQOSA-N 1 1 339.451 3.177 40 0 EGABMO CCOc1cccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000260737505 455900612 /nfs/dbraw/zinc/90/06/12/455900612.db2.gz LAAYUNVJMJCZDZ-HNNXBMFYSA-N 1 1 335.517 3.494 40 0 EGABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COCC(C)C ZINC000224741781 456070047 /nfs/dbraw/zinc/07/00/47/456070047.db2.gz QCFWJNYAEPETSK-UHFFFAOYSA-N 1 1 348.487 3.036 40 0 EGABMO COc1ccc2c(c1)C[N@H+](Cc1ccccc1)CC[C@H]1COC(=O)N21 ZINC000225490555 456087697 /nfs/dbraw/zinc/08/76/97/456087697.db2.gz IDAIJVREPYJCCZ-KRWDZBQOSA-N 1 1 338.407 3.426 40 0 biogenic,in-vitro EGABMO Cc1ccc2c(C)cc(N3CCC[C@@H]([N@H+](C)CC(=O)[O-])CC3)[nH+]c2c1 ZINC000263542457 456163489 /nfs/dbraw/zinc/16/34/89/456163489.db2.gz DTJIFKHZOHFSBP-MRXNPFEDSA-N 1 1 341.455 3.227 40 0 EGABMO Cc1ccc2c(C)cc(N3CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC3)[nH+]c2c1 ZINC000263542457 456163495 /nfs/dbraw/zinc/16/34/95/456163495.db2.gz DTJIFKHZOHFSBP-MRXNPFEDSA-N 1 1 341.455 3.227 40 0 EGABMO C[C@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@H+]1CC1CCC1 ZINC000585097348 459822894 /nfs/dbraw/zinc/82/28/94/459822894.db2.gz KIMSEVVYSWOFTM-LBPRGKRZSA-N 1 1 347.850 3.082 40 0 EGABMO C[C@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@@H+]1CC1CCC1 ZINC000585097348 459822900 /nfs/dbraw/zinc/82/29/00/459822900.db2.gz KIMSEVVYSWOFTM-LBPRGKRZSA-N 1 1 347.850 3.082 40 0 EGABMO CC[C@@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2Cc2c(C)noc2C)CC1 ZINC000585099895 459823488 /nfs/dbraw/zinc/82/34/88/459823488.db2.gz VBTZSIZKKYLBQH-KUHUBIRLSA-N 1 1 333.476 3.437 40 0 EGABMO Cc1cccc(OC[C@@]2(O)COCC[N@H+](C3CCC(C)(C)CC3)C2)c1 ZINC000585285186 459832775 /nfs/dbraw/zinc/83/27/75/459832775.db2.gz CROLUMUOZAYBLE-NRFANRHFSA-N 1 1 347.499 3.406 40 0 EGABMO Cc1c(-c2ccccc2)n[nH]c1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000012143775 525508288 /nfs/dbraw/zinc/50/82/88/525508288.db2.gz PEHKYOHLJXEQFP-INIZCTEOSA-N 1 1 340.471 3.235 40 0 EGABMO CNc1cnc(C[C@H]2CCC[N@@H+](Cc3csc(C)n3)CC2)cn1 ZINC000257252843 536421707 /nfs/dbraw/zinc/42/17/07/536421707.db2.gz JWHLWEJJEMJZMR-AWEZNQCLSA-N 1 1 331.489 3.128 40 0 EGABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]32)cc1 ZINC000257206029 536944931 /nfs/dbraw/zinc/94/49/31/536944931.db2.gz BBNZCIHKSGLHOK-KZNAEPCWSA-N 1 1 346.471 3.492 40 0 EGABMO Fc1ccc(C[N@H+]2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)cc1 ZINC000306129616 547460150 /nfs/dbraw/zinc/46/01/50/547460150.db2.gz IIGCIKXSOAARGS-SJLPKXTDSA-N 1 1 334.398 3.313 40 0 EGABMO COc1cccc([C@H](O)C(CN2CCCCC2)C[NH+]2CCCCC2)c1 ZINC000003594549 210060539 /nfs/dbraw/zinc/06/05/39/210060539.db2.gz SPYJJRZJIRIEIX-NRFANRHFSA-N 1 1 346.515 3.317 40 0 EGABMO C[N@@H+]1CC[C@H](CNC(=O)c2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485951 283115201 /nfs/dbraw/zinc/11/52/01/283115201.db2.gz VVDGXOFOBHDJBH-DYVFJYSZSA-N 1 1 347.821 3.297 40 0 EGABMO C[N@H+]1CC[C@H](CNC(=O)c2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485951 283115202 /nfs/dbraw/zinc/11/52/02/283115202.db2.gz VVDGXOFOBHDJBH-DYVFJYSZSA-N 1 1 347.821 3.297 40 0 EGABMO O[C@]1(c2cccnc2)CCC[C@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC000072342994 216159056 /nfs/dbraw/zinc/15/90/56/216159056.db2.gz SWBIKSIPDQMZTB-NQYLQCIDSA-N 1 1 344.405 3.480 40 0 EGABMO c1cncc(C[N@H+]2CCC[C@@H](c3nccnc3Oc3cccnc3)C2)c1 ZINC000072383635 216184237 /nfs/dbraw/zinc/18/42/37/216184237.db2.gz FFKUNHYKBAKEHL-QGZVFWFLSA-N 1 1 347.422 3.439 40 0 EGABMO CCn1cncc1CN(Cc1cccs1)C[C@H]1CCC[N@H+]1CC ZINC000023247885 212363668 /nfs/dbraw/zinc/36/36/68/212363668.db2.gz YPQOSTXSFYRXDM-MRXNPFEDSA-N 1 1 332.517 3.451 40 0 EGABMO CN1CC[NH+](Cc2ccc3oc(-c4cccc(F)c4)nc3c2)CC1 ZINC000216840406 241213452 /nfs/dbraw/zinc/21/34/52/241213452.db2.gz HIMNOSWURUFGQZ-UHFFFAOYSA-N 1 1 325.387 3.381 40 0 EGABMO COc1cccc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225727034 242008236 /nfs/dbraw/zinc/00/82/36/242008236.db2.gz POXVETSLKITWQH-GASCZTMLSA-N 1 1 335.517 3.350 40 0 EGABMO CCN1CC[C@@H]([NH2+]Cc2nnc(C)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000225787364 242034467 /nfs/dbraw/zinc/03/44/67/242034467.db2.gz COYYMYVXDBEGFC-ZBFHGGJFSA-N 1 1 338.814 3.096 40 0 EGABMO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000257210430 244149548 /nfs/dbraw/zinc/14/95/48/244149548.db2.gz BUNXBFTWRXRXMD-HNNXBMFYSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000257210430 244149551 /nfs/dbraw/zinc/14/95/51/244149551.db2.gz BUNXBFTWRXRXMD-HNNXBMFYSA-N 1 1 349.442 3.026 40 0 EGABMO C[N@H+]1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCN2C(=O)c1cscn1 ZINC000257227781 244206099 /nfs/dbraw/zinc/20/60/99/244206099.db2.gz FQVYYRUUBZFBET-SZMVWBNQSA-N 1 1 341.480 3.236 40 0 EGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1cnc(OC)nc1 ZINC000019527205 212038133 /nfs/dbraw/zinc/03/81/33/212038133.db2.gz KLWHXNHOTUPJJB-MRXNPFEDSA-N 1 1 346.500 3.033 40 0 EGABMO O[C@H](C[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000019366052 212022690 /nfs/dbraw/zinc/02/26/90/212022690.db2.gz XBIUJADNHMADBP-LJQANCHMSA-N 1 1 330.859 3.191 40 0 EGABMO c1ccc(C[C@H]2C[N@H+]3CCC[C@H]3CN2Cc2nc3ccccc3[nH]2)cc1 ZINC000019372775 212022545 /nfs/dbraw/zinc/02/25/45/212022545.db2.gz MIGDHVPAIHQPPC-OALUTQOASA-N 1 1 346.478 3.454 40 0 EGABMO CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2C[N@@H+](Cc3cccnc3)CC[C@@H]21 ZINC000019235230 212006764 /nfs/dbraw/zinc/00/67/64/212006764.db2.gz DKYXJZPOCLVVPH-FKBYEOEOSA-N 1 1 349.478 3.226 40 0 EGABMO Cc1nc(C[NH+]2CCC(CNC(=O)/C=C/c3ccco3)CC2)cs1 ZINC000078917437 217147004 /nfs/dbraw/zinc/14/70/04/217147004.db2.gz WVWHDJPAHOSBNG-SNAWJCMRSA-N 1 1 345.468 3.086 40 0 EGABMO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2cccs2)n1 ZINC000012185912 211313682 /nfs/dbraw/zinc/31/36/82/211313682.db2.gz RHYMOTCWRCHRPK-INIZCTEOSA-N 1 1 345.468 3.218 40 0 EGABMO OC1(c2ccccn2)[C@@H]2CCC[C@H]1C[N@H+](Cc1cccc(F)c1)C2 ZINC000012089057 211289716 /nfs/dbraw/zinc/28/97/16/211289716.db2.gz PZTPBOSQDDSFSY-XEWABKELSA-N 1 1 326.415 3.340 40 0 EGABMO Cc1cccc(N2CCC(NC(=O)N3CCC[C@H]4CCC[C@@H]43)CC2)[nH+]1 ZINC000096440384 218821016 /nfs/dbraw/zinc/82/10/16/218821016.db2.gz WLZVPXNYUMVEEN-AEFFLSMTSA-N 1 1 342.487 3.333 40 0 EGABMO CC(C)C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)NCc1ccco1)C2 ZINC000004886544 210311919 /nfs/dbraw/zinc/31/19/19/210311919.db2.gz NIGLMSZHYYYLLX-MQVJKMGUSA-N 1 1 335.517 3.285 40 0 EGABMO C[N@@H+](Cc1nc(-c2ccc(Br)o2)no1)[C@H]1CCSC1 ZINC000195574675 455987866 /nfs/dbraw/zinc/98/78/66/455987866.db2.gz SSGHEXXVKKWARN-QMMMGPOBSA-N 1 1 344.234 3.029 40 0 EGABMO CCn1nccc1CC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000240902798 455265249 /nfs/dbraw/zinc/26/52/49/455265249.db2.gz IVMBBUHONVNSDX-KRWDZBQOSA-N 1 1 327.428 3.054 40 0 EGABMO COc1cc2c(cc1OC)-c1c3c(cc4c1[C@H](C2)[N@H+](C)CC4)OCO3 ZINC000000005319 452492703 /nfs/dbraw/zinc/49/27/03/452492703.db2.gz YJWBWQWUHVXPNC-AWEZNQCLSA-N 1 1 339.391 3.185 40 0 biogenic,in-vitro EGABMO COc1cc2c(cc1OC)-c1c3c(cc4c1[C@H](C2)[N@@H+](C)CC4)OCO3 ZINC000000005319 452492707 /nfs/dbraw/zinc/49/27/07/452492707.db2.gz YJWBWQWUHVXPNC-AWEZNQCLSA-N 1 1 339.391 3.185 40 0 biogenic,in-vitro EGABMO CC[C@H]1C[N@H+]2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc21 ZINC000000156021 452524931 /nfs/dbraw/zinc/52/49/31/452524931.db2.gz LJOQGZACKSYWCH-FOEVPDMQSA-N 1 1 326.440 3.397 40 0 in-man EGABMO C[NH2+]CCCNCc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000008550133 453212710 /nfs/dbraw/zinc/21/27/10/453212710.db2.gz FZPPUULUVZSTRN-UHFFFAOYSA-N 1 1 328.456 3.282 40 0 EGABMO CCc1ncc(C[N@H+](CCCn2ccnc2)Cc2ccc(C)o2)cn1 ZINC000043277766 454052945 /nfs/dbraw/zinc/05/29/45/454052945.db2.gz JZPDSDGBNBARGO-UHFFFAOYSA-N 1 1 339.443 3.229 40 0 EGABMO CCc1ncc(C[N@@H+](CCCn2ccnc2)Cc2ccc(C)o2)cn1 ZINC000043277766 454052949 /nfs/dbraw/zinc/05/29/49/454052949.db2.gz JZPDSDGBNBARGO-UHFFFAOYSA-N 1 1 339.443 3.229 40 0 EGABMO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000077512708 454115906 /nfs/dbraw/zinc/11/59/06/454115906.db2.gz GGTBXGLAINNQON-OAHLLOKOSA-N 1 1 328.416 3.111 40 0 EGABMO CCCCOC(=O)c1cc(N)c(N2CC[NH+](CC)CC2)c(Cl)c1 ZINC000070462674 454169542 /nfs/dbraw/zinc/16/95/42/454169542.db2.gz ZFBWAYGLPDPUJD-UHFFFAOYSA-N 1 1 339.867 3.021 40 0 EGABMO O=C(c1nc2c(s1)CC[N@@H+](Cc1ccsc1)CC2)N1CCCC1 ZINC000096044165 454268144 /nfs/dbraw/zinc/26/81/44/454268144.db2.gz FPTJWMCEYJGUDH-UHFFFAOYSA-N 1 1 347.509 3.041 40 0 EGABMO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](COCC3CC3)C2)s1 ZINC000096044198 454268285 /nfs/dbraw/zinc/26/82/85/454268285.db2.gz RHLBQDVUDYWEIC-INIZCTEOSA-N 1 1 331.485 3.312 40 0 EGABMO COc1ccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)cc1 ZINC000096047599 454269367 /nfs/dbraw/zinc/26/93/67/454269367.db2.gz PLQCHCGIHJJJDF-QFBILLFUSA-N 1 1 328.412 3.134 40 0 EGABMO Cc1ccc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccsc2)C3)nn1 ZINC000096048442 454271835 /nfs/dbraw/zinc/27/18/35/454271835.db2.gz XKXNPPZXEKWQKL-SJLPKXTDSA-N 1 1 344.484 3.082 40 0 EGABMO c1coc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1 ZINC000096051898 454272797 /nfs/dbraw/zinc/27/27/97/454272797.db2.gz HTDUNIPDLWZVCB-QFBILLFUSA-N 1 1 328.412 3.125 40 0 EGABMO c1coc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1 ZINC000096051898 454272800 /nfs/dbraw/zinc/27/28/00/454272800.db2.gz HTDUNIPDLWZVCB-QFBILLFUSA-N 1 1 328.412 3.125 40 0 EGABMO c1csc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)c1 ZINC000096055286 454274213 /nfs/dbraw/zinc/27/42/13/454274213.db2.gz WZXVJEOOMLPWFT-QXAKKESOSA-N 1 1 344.480 3.339 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)c1 ZINC000096055286 454274217 /nfs/dbraw/zinc/27/42/17/454274217.db2.gz WZXVJEOOMLPWFT-QXAKKESOSA-N 1 1 344.480 3.339 40 0 EGABMO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096100325 454282588 /nfs/dbraw/zinc/28/25/88/454282588.db2.gz HKNKRDKLEXCDCA-LJQANCHMSA-N 1 1 339.464 3.043 40 0 EGABMO c1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cc1 ZINC000096107298 454285080 /nfs/dbraw/zinc/28/50/80/454285080.db2.gz LRBLJZORAROKJT-RTWAWAEBSA-N 1 1 338.451 3.422 40 0 EGABMO Cc1ccsc1C[N@H+]1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096107775 454285762 /nfs/dbraw/zinc/28/57/62/454285762.db2.gz UKRMBHVKNPGUOX-MJGOQNOKSA-N 1 1 344.480 3.402 40 0 EGABMO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccccc2)Oc2ccccc2N1CC1CC1 ZINC000096111797 454287532 /nfs/dbraw/zinc/28/75/32/454287532.db2.gz QPQSBDHYGBSNPN-ICSRJNTNSA-N 1 1 348.446 3.465 40 0 biogenic,in-vitro EGABMO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccccc2)Oc2ccccc2N1CC1CC1 ZINC000096111797 454287535 /nfs/dbraw/zinc/28/75/35/454287535.db2.gz QPQSBDHYGBSNPN-ICSRJNTNSA-N 1 1 348.446 3.465 40 0 biogenic,in-vitro EGABMO CCC(=O)N1CCC[C@H]([N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C)C1 ZINC000072342504 454294103 /nfs/dbraw/zinc/29/41/03/454294103.db2.gz WZZBILPILIBLTG-HOCLYGCPSA-N 1 1 346.471 3.024 40 0 EGABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)cc1OC ZINC000072340959 454294149 /nfs/dbraw/zinc/29/41/49/454294149.db2.gz RUNYPSHULQZNRH-PBHICJAKSA-N 1 1 325.412 3.064 40 0 EGABMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)cc1OC ZINC000072340959 454294153 /nfs/dbraw/zinc/29/41/53/454294153.db2.gz RUNYPSHULQZNRH-PBHICJAKSA-N 1 1 325.412 3.064 40 0 EGABMO Fc1ccccc1C[N@@H+]1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096187172 454299213 /nfs/dbraw/zinc/29/92/13/454299213.db2.gz MTBRZGCAFVSDMU-AABGKKOBSA-N 1 1 342.414 3.169 40 0 EGABMO Fc1ccccc1C[N@H+]1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096187172 454299223 /nfs/dbraw/zinc/29/92/23/454299223.db2.gz MTBRZGCAFVSDMU-AABGKKOBSA-N 1 1 342.414 3.169 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2cccc(F)c2)o1 ZINC000096184684 454299592 /nfs/dbraw/zinc/29/95/92/454299592.db2.gz SYHXWVLCAAZYEF-RBUKOAKNSA-N 1 1 342.414 3.145 40 0 EGABMO c1cc(C[N@H+]2CCc3c(CNc4ncccn4)cncc3C2)cs1 ZINC000096189529 454300883 /nfs/dbraw/zinc/30/08/83/454300883.db2.gz GWNGXWLJGAJTFJ-UHFFFAOYSA-N 1 1 337.452 3.104 40 0 EGABMO c1cc(C[N@@H+]2CCc3c(CNc4ncccn4)cncc3C2)cs1 ZINC000096189529 454300887 /nfs/dbraw/zinc/30/08/87/454300887.db2.gz GWNGXWLJGAJTFJ-UHFFFAOYSA-N 1 1 337.452 3.104 40 0 EGABMO Cc1nc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)cs1 ZINC000096199594 454302032 /nfs/dbraw/zinc/30/20/32/454302032.db2.gz MHHPCDIROYXKRJ-QGZVFWFLSA-N 1 1 341.480 3.090 40 0 EGABMO c1ccc(CC[N@H+]2CC[C@@H](OCc3ccccn3)[C@H]3OCC[C@@H]32)cc1 ZINC000096216300 454305333 /nfs/dbraw/zinc/30/53/33/454305333.db2.gz HWAXWOWGJSHPPO-HBMCJLEFSA-N 1 1 338.451 3.073 40 0 EGABMO c1csc(C[NH+]2CCC3(C[C@@H](Oc4ccccc4)CO3)CC2)n1 ZINC000096221807 454308353 /nfs/dbraw/zinc/30/83/53/454308353.db2.gz ZHKJXVLDOQNVIJ-MRXNPFEDSA-N 1 1 330.453 3.346 40 0 EGABMO CN(Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC000096220901 454308421 /nfs/dbraw/zinc/30/84/21/454308421.db2.gz KJSFYPNDNXZLHY-FQEVSTJZSA-N 1 1 343.515 3.327 40 0 EGABMO CCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@@H]32)N=C1C ZINC000096261443 454314833 /nfs/dbraw/zinc/31/48/33/454314833.db2.gz CKGKYUXRXNUOLQ-HHXXYDBFSA-N 1 1 345.874 3.201 40 0 EGABMO C[C@H]1CCC[N@@H+](CCCNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000096414278 454331351 /nfs/dbraw/zinc/33/13/51/454331351.db2.gz JGKDNZRUTVYAPD-AWEZNQCLSA-N 1 1 347.484 3.184 40 0 EGABMO C[C@@H](c1ccco1)N(C)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096427125 454339877 /nfs/dbraw/zinc/33/98/77/454339877.db2.gz SVRGBMDXUZJOFI-WMZOPIPTSA-N 1 1 342.439 3.090 40 0 EGABMO C[C@@H](c1ccco1)N(C)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096427125 454339884 /nfs/dbraw/zinc/33/98/84/454339884.db2.gz SVRGBMDXUZJOFI-WMZOPIPTSA-N 1 1 342.439 3.090 40 0 EGABMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc(N3CCCC3)c2)CC[N@H+]1C ZINC000096434435 454345425 /nfs/dbraw/zinc/34/54/25/454345425.db2.gz NAAWBLWANQAWPT-YOEHRIQHSA-N 1 1 348.466 3.372 40 0 EGABMO CC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)CC1 ZINC000096445727 454352792 /nfs/dbraw/zinc/35/27/92/454352792.db2.gz XBFRQIYYLOXVQW-MRXNPFEDSA-N 1 1 335.879 3.206 40 0 EGABMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@H](CO)C1 ZINC000096483160 454365526 /nfs/dbraw/zinc/36/55/26/454365526.db2.gz QQCQLJWBIRIREL-ZJUUUORDSA-N 1 1 342.226 3.419 40 0 EGABMO CSCC[C@@H]([NH3+])c1nc(C2=Cc3cc(Cl)ccc3OC2)no1 ZINC000062716610 454386145 /nfs/dbraw/zinc/38/61/45/454386145.db2.gz UJKPLNBPDRWQQM-GFCCVEGCSA-N 1 1 337.832 3.409 40 0 EGABMO CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000063527675 454421850 /nfs/dbraw/zinc/42/18/50/454421850.db2.gz AOZYYXRQMMYHLE-INIZCTEOSA-N 1 1 326.362 3.150 40 0 EGABMO COc1ccc([C@H]2CCCCC[N@H+]2CCCCS(C)(=O)=O)cc1 ZINC000097227752 454426059 /nfs/dbraw/zinc/42/60/59/454426059.db2.gz PTXGVCFALCIYQC-GOSISDBHSA-N 1 1 339.501 3.437 40 0 EGABMO C[C@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000048309287 454471886 /nfs/dbraw/zinc/47/18/86/454471886.db2.gz UUXICRUWFHABRZ-CYBMUJFWSA-N 1 1 346.862 3.254 40 0 EGABMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H]2CC=CCC2)C[C@H](C)O1 ZINC000048333618 454474772 /nfs/dbraw/zinc/47/47/72/454474772.db2.gz PSJNSYUHWJLTFE-BZSNNMDCSA-N 1 1 342.483 3.268 40 0 EGABMO CCc1nc(C(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c[nH]1 ZINC000110665061 454851208 /nfs/dbraw/zinc/85/12/08/454851208.db2.gz RXBKRUBEGBTBHF-WBVHZDCISA-N 1 1 340.471 3.270 40 0 EGABMO CCc1ncc(C(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[nH]1 ZINC000110665061 454851210 /nfs/dbraw/zinc/85/12/10/454851210.db2.gz RXBKRUBEGBTBHF-WBVHZDCISA-N 1 1 340.471 3.270 40 0 EGABMO CCc1ncc(C(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[nH]1 ZINC000110665061 454851213 /nfs/dbraw/zinc/85/12/13/454851213.db2.gz RXBKRUBEGBTBHF-WBVHZDCISA-N 1 1 340.471 3.270 40 0 EGABMO O=C(CCN1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000150759672 454887788 /nfs/dbraw/zinc/88/77/88/454887788.db2.gz UMQGJAIKDMWZRC-OAHLLOKOSA-N 1 1 335.879 3.086 40 0 EGABMO CC(C)c1ccc(OCCOC[C@H](O)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000245227315 455280947 /nfs/dbraw/zinc/28/09/47/455280947.db2.gz BOHSPJRSQSIMAL-PKOBYXMFSA-N 1 1 335.488 3.298 40 0 EGABMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCSC2(CCCCC2)C1 ZINC000245338676 455282614 /nfs/dbraw/zinc/28/26/14/455282614.db2.gz NUFHMODMPVMVIE-CVEARBPZSA-N 1 1 337.533 3.075 40 0 EGABMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCSC2(CCCCC2)C1 ZINC000245338677 455282694 /nfs/dbraw/zinc/28/26/94/455282694.db2.gz NUFHMODMPVMVIE-HOTGVXAUSA-N 1 1 337.533 3.075 40 0 EGABMO COc1ccc([C@H]2[C@H](CNC(=O)C3(SC)CC3)CCC[N@H+]2C)cc1 ZINC000252499961 455815794 /nfs/dbraw/zinc/81/57/94/455815794.db2.gz SJZJRTORYXMECC-RDJZCZTQSA-N 1 1 348.512 3.090 40 0 EGABMO COC1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCOCC1 ZINC000253415273 455841176 /nfs/dbraw/zinc/84/11/76/455841176.db2.gz HPVRMZDMNWRUKC-INIZCTEOSA-N 1 1 346.471 3.053 40 0 EGABMO O=S1(=O)CCC(C[N@@H+](Cc2ccccc2Cl)CC2CC2)CC1 ZINC000253417547 455842203 /nfs/dbraw/zinc/84/22/03/455842203.db2.gz ZPAZSLYKTHXUQX-UHFFFAOYSA-N 1 1 341.904 3.377 40 0 EGABMO Cc1c(F)cccc1NC(=O)C[NH+]1CCC2(COC(C)(C)C2)CC1 ZINC000257280270 455881614 /nfs/dbraw/zinc/88/16/14/455881614.db2.gz OKFPEUMGUINCEV-UHFFFAOYSA-N 1 1 334.435 3.354 40 0 EGABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](Cc2ccc(C)nc2)C1 ZINC000257289184 455884403 /nfs/dbraw/zinc/88/44/03/455884403.db2.gz PXJGMIVPIWUWAJ-SFHVURJKSA-N 1 1 340.471 3.020 40 0 EGABMO COC(C)(C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812548 455900514 /nfs/dbraw/zinc/90/05/14/455900514.db2.gz GCQBBOABDWQCEC-OAHLLOKOSA-N 1 1 334.460 3.303 40 0 EGABMO C[N@H+](Cc1nc(-c2ccc(Br)o2)no1)[C@H]1CCSC1 ZINC000195574675 455987863 /nfs/dbraw/zinc/98/78/63/455987863.db2.gz SSGHEXXVKKWARN-QMMMGPOBSA-N 1 1 344.234 3.029 40 0 EGABMO C[C@H]1CCC[N@@H+](CCCNC(=O)COc2cccc3c2CCCC3)C1 ZINC000225414370 456081621 /nfs/dbraw/zinc/08/16/21/456081621.db2.gz DXBZUYDVBVFTSY-KRWDZBQOSA-N 1 1 344.499 3.182 40 0 EGABMO COc1ncccc1CN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000225614468 456098505 /nfs/dbraw/zinc/09/85/05/456098505.db2.gz GDAWVLJJDYONOI-UHFFFAOYSA-N 1 1 340.349 3.212 40 0 EGABMO c1coc(C[N@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306135050 456568304 /nfs/dbraw/zinc/56/83/04/456568304.db2.gz OFXGKGVPTFRISS-KRWDZBQOSA-N 1 1 345.406 3.374 40 0 EGABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc4c(c3)CCC4)CC2)N1CCF ZINC000585100639 459822610 /nfs/dbraw/zinc/82/26/10/459822610.db2.gz RISMOFCEDNMNBB-OAQYLSRUSA-N 1 1 344.474 3.492 40 0 EGABMO C[C@@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@H+]1CC1CCC1 ZINC000585097347 459823016 /nfs/dbraw/zinc/82/30/16/459823016.db2.gz KIMSEVVYSWOFTM-GFCCVEGCSA-N 1 1 347.850 3.082 40 0 EGABMO C[C@@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@@H+]1CC1CCC1 ZINC000585097347 459823020 /nfs/dbraw/zinc/82/30/20/459823020.db2.gz KIMSEVVYSWOFTM-GFCCVEGCSA-N 1 1 347.850 3.082 40 0 EGABMO Cc1ccccc1O[C@@H]1CCC[C@H]([N@@H+](C)CCN2CCCCC2)[C@H]1O ZINC000585288710 459833348 /nfs/dbraw/zinc/83/33/48/459833348.db2.gz IJRLOYZTKBAKLW-CEWLAPEOSA-N 1 1 346.515 3.074 40 0 EGABMO Cc1ccccc1O[C@@H]1CCC[C@H](N(C)CC[NH+]2CCCCC2)[C@H]1O ZINC000585288710 459833351 /nfs/dbraw/zinc/83/33/51/459833351.db2.gz IJRLOYZTKBAKLW-CEWLAPEOSA-N 1 1 346.515 3.074 40 0 EGABMO c1cnc(Oc2ccc(C[N@H+]3CC[C@H](Oc4ccncc4)C3)cc2)cn1 ZINC000093866227 546688433 /nfs/dbraw/zinc/68/84/33/546688433.db2.gz KFTXLPGCJOVMOO-IBGZPJMESA-N 1 1 348.406 3.317 40 0 EGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1Cc1ccccc1 ZINC000306128917 547459789 /nfs/dbraw/zinc/45/97/89/547459789.db2.gz HOHVNQPPGQKCTE-VQTJNVASSA-N 1 1 347.418 3.163 40 0 EGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccco3)C[C@H]2N1Cc1ccccc1 ZINC000306128917 547459790 /nfs/dbraw/zinc/45/97/90/547459790.db2.gz HOHVNQPPGQKCTE-VQTJNVASSA-N 1 1 347.418 3.163 40 0 EGABMO Cc1cc(C)c(C)c(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000004305233 210165436 /nfs/dbraw/zinc/16/54/36/210165436.db2.gz NSUPENCYWPKROY-FQEVSTJZSA-N 1 1 325.452 3.410 40 0 EGABMO Cc1cc(Nc2ccccn2)nc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072360053 216165769 /nfs/dbraw/zinc/16/57/69/216165769.db2.gz KPQZNBOMGHAGRX-INIZCTEOSA-N 1 1 339.443 3.240 40 0 EGABMO c1ccc(C[N@H+]2CCC[C@H]2c2cncc(Nc3cnccn3)n2)cc1 ZINC000072376196 216178762 /nfs/dbraw/zinc/17/87/62/216178762.db2.gz KLVZBHBRRYXODZ-KRWDZBQOSA-N 1 1 332.411 3.347 40 0 EGABMO Cc1ccc(C[N@@H+](C)Cc2cc(-c3ccccc3)cn3nnnc23)o1 ZINC000072392679 216191697 /nfs/dbraw/zinc/19/16/97/216191697.db2.gz QBUISPNABHOJBO-UHFFFAOYSA-N 1 1 333.395 3.325 40 0 EGABMO Cc1ccc(C[N@H+](C)Cc2cc(-c3ccccc3)cn3nnnc23)o1 ZINC000072392679 216191701 /nfs/dbraw/zinc/19/17/01/216191701.db2.gz QBUISPNABHOJBO-UHFFFAOYSA-N 1 1 333.395 3.325 40 0 EGABMO O[C@H]1C[C@H](C2CCCCC2)[N@@H+](Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000072634625 216285519 /nfs/dbraw/zinc/28/55/19/216285519.db2.gz QVUWMUQYNWYQRJ-DLBZAZTESA-N 1 1 345.418 3.391 40 0 EGABMO Cc1nn(C)c2nc([C@@H]3CCC[N@H+](Cc4cscn4)C3)ccc12 ZINC000257203153 244123686 /nfs/dbraw/zinc/12/36/86/244123686.db2.gz AOWREGJRZHRUBM-CYBMUJFWSA-N 1 1 327.457 3.113 40 0 EGABMO Cc1nn(C)c2nc([C@@H]3CCC[N@@H+](Cc4cscn4)C3)ccc12 ZINC000257203153 244123692 /nfs/dbraw/zinc/12/36/92/244123692.db2.gz AOWREGJRZHRUBM-CYBMUJFWSA-N 1 1 327.457 3.113 40 0 EGABMO Cc1cc(C[C@@H]2COCC[N@H+](Cc3ccc(F)cc3Cl)C2)ncn1 ZINC000257222336 244187279 /nfs/dbraw/zinc/18/72/79/244187279.db2.gz DSWZFZQFQIFMNI-AWEZNQCLSA-N 1 1 349.837 3.269 40 0 EGABMO Cc1cc(C[C@@H]2COCC[N@@H+](Cc3ccc(F)cc3Cl)C2)ncn1 ZINC000257222336 244187284 /nfs/dbraw/zinc/18/72/84/244187284.db2.gz DSWZFZQFQIFMNI-AWEZNQCLSA-N 1 1 349.837 3.269 40 0 EGABMO c1cc(C[C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n[nH]1 ZINC000257232647 244216492 /nfs/dbraw/zinc/21/64/92/244216492.db2.gz GLVABZNWDDCADE-MRXNPFEDSA-N 1 1 333.439 3.321 40 0 EGABMO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@H](Cc4cccnc4)C3)c2n1 ZINC000257255962 244281111 /nfs/dbraw/zinc/28/11/11/244281111.db2.gz KJOUUEATXLRZDO-GOSISDBHSA-N 1 1 335.455 3.196 40 0 EGABMO CCc1ccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000020037841 212096301 /nfs/dbraw/zinc/09/63/01/212096301.db2.gz LENXBEPSQKQIFT-UHFFFAOYSA-N 1 1 349.434 3.438 40 0 EGABMO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cncc(C)n2)cc1CO ZINC000257276142 244392202 /nfs/dbraw/zinc/39/22/02/244392202.db2.gz NSMODBHRVKXFNR-GOSISDBHSA-N 1 1 327.428 3.013 40 0 EGABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cncc(C)n2)cc1CO ZINC000257276142 244392209 /nfs/dbraw/zinc/39/22/09/244392209.db2.gz NSMODBHRVKXFNR-GOSISDBHSA-N 1 1 327.428 3.013 40 0 EGABMO Cn1ccc2cc(C[C@H]3COCC[N@@H+](Cc4ccncc4)C3)ccc21 ZINC000257277647 244397644 /nfs/dbraw/zinc/39/76/44/244397644.db2.gz NYVNCSRNFXILTB-LJQANCHMSA-N 1 1 335.451 3.264 40 0 EGABMO Cc1cc(C)n(CCC[N@H+](C)Cc2ccc(N3CCCC3=O)cc2)n1 ZINC000019654530 212053071 /nfs/dbraw/zinc/05/30/71/212053071.db2.gz LIJNZGUTDCZJAW-UHFFFAOYSA-N 1 1 340.471 3.149 40 0 EGABMO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000078925993 217148949 /nfs/dbraw/zinc/14/89/49/217148949.db2.gz IYFXKZKTQABYJS-IRXDYDNUSA-N 1 1 340.471 3.305 40 0 EGABMO CC1(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000079355809 217214377 /nfs/dbraw/zinc/21/43/77/217214377.db2.gz KNHNASAWIQZNQG-SFHVURJKSA-N 1 1 331.456 3.259 40 0 EGABMO CCn1cc[nH+]c1N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000012444555 211384249 /nfs/dbraw/zinc/38/42/49/211384249.db2.gz JOBGXPZSWRJWER-UHFFFAOYSA-N 1 1 340.471 3.163 40 0 EGABMO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc2c(c1)OCCCO2 ZINC000095421027 218361527 /nfs/dbraw/zinc/36/15/27/218361527.db2.gz CDNKJLARLQEVQV-GFCCVEGCSA-N 1 1 329.425 3.408 40 0 EGABMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc(N3CCCC3)c2)CC[N@H+]1C ZINC000096434434 218811897 /nfs/dbraw/zinc/81/18/97/218811897.db2.gz NAAWBLWANQAWPT-PBHICJAKSA-N 1 1 348.466 3.372 40 0 EGABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000072227932 257686399 /nfs/dbraw/zinc/68/63/99/257686399.db2.gz PHKCMROFDPQHPW-IAGOWNOFSA-N 1 1 330.815 3.326 40 0 EGABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000072227919 257686514 /nfs/dbraw/zinc/68/65/14/257686514.db2.gz MWNLUKWEXPQSBC-GJZGRUSLSA-N 1 1 337.206 3.417 40 0 EGABMO COc1cc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc1C ZINC000278849736 275280790 /nfs/dbraw/zinc/28/07/90/275280790.db2.gz KYMCKRLZPGNPIG-MRXNPFEDSA-N 1 1 326.444 3.379 40 0 EGABMO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1C ZINC000278849736 275280792 /nfs/dbraw/zinc/28/07/92/275280792.db2.gz KYMCKRLZPGNPIG-MRXNPFEDSA-N 1 1 326.444 3.379 40 0 EGABMO COc1cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1C ZINC000278849736 275280793 /nfs/dbraw/zinc/28/07/93/275280793.db2.gz KYMCKRLZPGNPIG-MRXNPFEDSA-N 1 1 326.444 3.379 40 0 EGABMO Cn1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(C2CCCCC2)n1 ZINC000183120408 455233532 /nfs/dbraw/zinc/23/35/32/455233532.db2.gz MUPCTJSTFYAJAX-DLBZAZTESA-N 1 1 335.517 3.174 40 0 EGABMO Cn1cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(C2CCCCC2)n1 ZINC000183120408 455233534 /nfs/dbraw/zinc/23/35/34/455233534.db2.gz MUPCTJSTFYAJAX-DLBZAZTESA-N 1 1 335.517 3.174 40 0 EGABMO COc1cc(C[NH2+]CCCN(C)C)ccc1OCc1ccccc1F ZINC000008373862 453197678 /nfs/dbraw/zinc/19/76/78/453197678.db2.gz HIUPCAQZOXBSOE-UHFFFAOYSA-N 1 1 346.446 3.455 40 0 EGABMO C[C@H]1Cc2cc([C@H](O)C[N@H+]3CCC[C@@H](C)C3)ccc2N1C(=O)C1CC1 ZINC000012181036 453347607 /nfs/dbraw/zinc/34/76/07/453347607.db2.gz FDLHJHJBOZDUPA-QEEYODRMSA-N 1 1 342.483 3.140 40 0 EGABMO COc1ccccc1C[N@H+]1C[C@@H]2CC[C@@](O)(c3ncccc3C)[C@@H]2C1 ZINC000013227713 453454289 /nfs/dbraw/zinc/45/42/89/453454289.db2.gz SZNPSRLDSLSDDH-CDXJDZJCSA-N 1 1 338.451 3.128 40 0 EGABMO c1cc(-c2ccc([C@@H]3C[N@H+](CCc4ccccc4)CCO3)nc2)n[nH]1 ZINC000019692560 453658326 /nfs/dbraw/zinc/65/83/26/453658326.db2.gz UQFSRYHOPUZRRV-FQEVSTJZSA-N 1 1 334.423 3.088 40 0 EGABMO c1cc(-c2ccc([C@@H]3C[N@@H+](CCc4ccccc4)CCO3)nc2)n[nH]1 ZINC000019692560 453658328 /nfs/dbraw/zinc/65/83/28/453658328.db2.gz UQFSRYHOPUZRRV-FQEVSTJZSA-N 1 1 334.423 3.088 40 0 EGABMO O[C@H](COCc1ccco1)C[N@H+]1CCc2sccc2[C@@H]1C1CC1 ZINC000025697656 453782912 /nfs/dbraw/zinc/78/29/12/453782912.db2.gz OPXFGKBQAYKWLB-KSSFIOAISA-N 1 1 333.453 3.228 40 0 EGABMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220979 453822658 /nfs/dbraw/zinc/82/26/58/453822658.db2.gz NLZRUFGOXITTKK-OAHLLOKOSA-N 1 1 332.831 3.461 40 0 EGABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1F ZINC000031662742 453851459 /nfs/dbraw/zinc/85/14/59/453851459.db2.gz RJXHODMJDQCLCF-UHFFFAOYSA-N 1 1 327.403 3.396 40 0 EGABMO Cc1cnc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)s1 ZINC000054379890 453926864 /nfs/dbraw/zinc/92/68/64/453926864.db2.gz PPBSDOZHFPFDAQ-ZFWWWQNUSA-N 1 1 330.457 3.409 40 0 EGABMO Cc1[nH+]ccn1CCCNC(=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000077547218 454120955 /nfs/dbraw/zinc/12/09/55/454120955.db2.gz RNYNJFLDWADMMG-HOTGVXAUSA-N 1 1 332.835 3.090 40 0 EGABMO O=C(C[NH2+]Cc1ccccc1F)Nc1ccc(Br)cc1 ZINC000095950760 454236751 /nfs/dbraw/zinc/23/67/51/454236751.db2.gz RZCSHZVBVYJDHE-UHFFFAOYSA-N 1 1 337.192 3.317 40 0 EGABMO Cc1nc(COC[C@]23CCCO[C@@H]2CC[N@@H+](CC2CC2)C3)cs1 ZINC000096040153 454267127 /nfs/dbraw/zinc/26/71/27/454267127.db2.gz VGKOROHGTRPXKC-QZTJIDSGSA-N 1 1 336.501 3.249 40 0 EGABMO c1csc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)c1 ZINC000096042229 454268202 /nfs/dbraw/zinc/26/82/02/454268202.db2.gz KHULBPWVQDDMKD-OKZBNKHCSA-N 1 1 330.453 3.092 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)c1 ZINC000096042229 454268204 /nfs/dbraw/zinc/26/82/04/454268204.db2.gz KHULBPWVQDDMKD-OKZBNKHCSA-N 1 1 330.453 3.092 40 0 EGABMO Fc1ccc(C[N@H+]2C[C@@H](OCC3CCOCC3)[C@H]3OCCC[C@H]32)cc1 ZINC000096042406 454268454 /nfs/dbraw/zinc/26/84/54/454268454.db2.gz CHOHODGIGACFKL-AQNXPRMDSA-N 1 1 349.446 3.001 40 0 EGABMO O=C(c1ccsc1)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053885 454274858 /nfs/dbraw/zinc/27/48/58/454274858.db2.gz RWWHNULFKJKZRA-IYBDPMFKSA-N 1 1 330.428 3.091 40 0 EGABMO Cc1ccc(C[N@H+]2C[C@@H](OCc3ccncc3)[C@@H]3OCCC[C@@H]32)s1 ZINC000096058129 454276998 /nfs/dbraw/zinc/27/69/98/454276998.db2.gz VYXNGFDCBKOJPH-IPMKNSEASA-N 1 1 344.480 3.400 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)co1 ZINC000096065136 454277768 /nfs/dbraw/zinc/27/77/68/454277768.db2.gz LWRLQBVZLISGFY-PMACEKPBSA-N 1 1 342.439 3.263 40 0 EGABMO c1coc(CN2CCOC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1 ZINC000096062388 454277783 /nfs/dbraw/zinc/27/77/83/454277783.db2.gz JSGOUAJZUALSDE-SFHVURJKSA-N 1 1 332.469 3.066 40 0 EGABMO Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)C1CC=CC1)C2 ZINC000096069240 454278673 /nfs/dbraw/zinc/27/86/73/454278673.db2.gz KCAPEVURTGIYRN-UHFFFAOYSA-N 1 1 348.450 3.100 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)co1 ZINC000096065134 454278683 /nfs/dbraw/zinc/27/86/83/454278683.db2.gz LWRLQBVZLISGFY-UXHICEINSA-N 1 1 342.439 3.263 40 0 EGABMO c1csc(C[N@@H+]2CC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)c1 ZINC000096107607 454285019 /nfs/dbraw/zinc/28/50/19/454285019.db2.gz KPSMSQWVYZXXFR-WMZOPIPTSA-N 1 1 330.453 3.093 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)cc1 ZINC000096107737 454285599 /nfs/dbraw/zinc/28/55/99/454285599.db2.gz YSIWYTKHRLMRQG-RTWAWAEBSA-N 1 1 345.483 3.172 40 0 EGABMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)[C@H](C)OCCC(C)C)c1 ZINC000096134033 454290980 /nfs/dbraw/zinc/29/09/80/454290980.db2.gz ZOJGAMUNRQVMJU-INIZCTEOSA-N 1 1 343.471 3.307 40 0 EGABMO COc1ccc(C[N@H+]2CCCC[C@H]3CN(C(=O)C4CCC4)C[C@H]32)cc1 ZINC000072330630 454294785 /nfs/dbraw/zinc/29/47/85/454294785.db2.gz WDLBMRQPNRHAQP-AZUAARDMSA-N 1 1 342.483 3.308 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@H]3O[C@@H](COc4cccnc4)CC[C@@H]32)o1 ZINC000096186740 454299140 /nfs/dbraw/zinc/29/91/40/454299140.db2.gz SKUBXAAHNKPYCJ-QYZOEREBSA-N 1 1 328.412 3.184 40 0 EGABMO O=C(c1nc2c(s1)CC[N@@H+](Cc1cccs1)CC2)N1CCCC1 ZINC000096187581 454300099 /nfs/dbraw/zinc/30/00/99/454300099.db2.gz OWNNJXLAXGFYGU-UHFFFAOYSA-N 1 1 347.509 3.041 40 0 EGABMO Cc1cnc(N2CC[C@@]3(C2)CCCC[N@H+]3Cc2cccc(C)n2)nc1 ZINC000096203151 454303924 /nfs/dbraw/zinc/30/39/24/454303924.db2.gz XSGSLHAJHRRQHZ-HXUWFJFHSA-N 1 1 337.471 3.123 40 0 EGABMO Cc1ccsc1C[N@@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC000096207225 454304414 /nfs/dbraw/zinc/30/44/14/454304414.db2.gz VQIRWEZPLKFPDE-INIZCTEOSA-N 1 1 331.485 3.312 40 0 EGABMO Cn1ccc(C[N@H+]2CCCC23CCN(Cc2ccccc2F)CC3)n1 ZINC000096227943 454308530 /nfs/dbraw/zinc/30/85/30/454308530.db2.gz LPCOROOEINNEMD-UHFFFAOYSA-N 1 1 342.462 3.190 40 0 EGABMO Cn1ccc(CN2CCCC23CC[NH+](Cc2ccccc2F)CC3)n1 ZINC000096227943 454308534 /nfs/dbraw/zinc/30/85/34/454308534.db2.gz LPCOROOEINNEMD-UHFFFAOYSA-N 1 1 342.462 3.190 40 0 EGABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(F)c1)C2 ZINC000096220706 454308661 /nfs/dbraw/zinc/30/86/61/454308661.db2.gz QOORRGIOAFSQPD-QUCCMNQESA-N 1 1 332.463 3.006 40 0 EGABMO Cc1nc(COC[C@@H]2C[C@H]3OCC[N@H+](Cc4ccoc4)[C@@H]3C2)cs1 ZINC000096250655 454311788 /nfs/dbraw/zinc/31/17/88/454311788.db2.gz XOORUXDUYOYWKX-CGTJXYLNSA-N 1 1 348.468 3.241 40 0 EGABMO Cc1nc(COC[C@@H]2C[C@H]3OCC[N@@H+](Cc4ccoc4)[C@@H]3C2)cs1 ZINC000096250655 454311791 /nfs/dbraw/zinc/31/17/91/454311791.db2.gz XOORUXDUYOYWKX-CGTJXYLNSA-N 1 1 348.468 3.241 40 0 EGABMO c1cc(C[N@H+]2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@H]32)cs1 ZINC000096250779 454311819 /nfs/dbraw/zinc/31/18/19/454311819.db2.gz HJMPZLYIJWWOBG-IPMKNSEASA-N 1 1 344.480 3.339 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@H]32)cs1 ZINC000096250779 454311821 /nfs/dbraw/zinc/31/18/21/454311821.db2.gz HJMPZLYIJWWOBG-IPMKNSEASA-N 1 1 344.480 3.339 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@@H]3[C@H](CNc4cccnc4)CC[C@@H]32)c1 ZINC000096250154 454311984 /nfs/dbraw/zinc/31/19/84/454311984.db2.gz XUQQWUWQNBINAV-JCGIZDLHSA-N 1 1 329.469 3.235 40 0 EGABMO COc1ccc2c(c1)C1(CCN(Cc3ccccn3)CC1)[N@H+](C)CC2 ZINC000096242672 454312032 /nfs/dbraw/zinc/31/20/32/454312032.db2.gz SJAHYXYWZGHUBS-UHFFFAOYSA-N 1 1 337.467 3.069 40 0 EGABMO CC[N@@H+]1CCc2nc(NC(=O)c3nccc4ccccc43)sc2C1 ZINC000096402613 454322794 /nfs/dbraw/zinc/32/27/94/454322794.db2.gz DHDXTGMOLNVWMU-UHFFFAOYSA-N 1 1 338.436 3.322 40 0 EGABMO CC[N@H+]1CCc2nc(NC(=O)c3nccc4ccccc43)sc2C1 ZINC000096402613 454322798 /nfs/dbraw/zinc/32/27/98/454322798.db2.gz DHDXTGMOLNVWMU-UHFFFAOYSA-N 1 1 338.436 3.322 40 0 EGABMO CC(C)C(=O)N1CCC[N@H+](Cc2cc(F)cc3cccnc32)CC1 ZINC000096411853 454329132 /nfs/dbraw/zinc/32/91/32/454329132.db2.gz VSMXGCFRKZSNRQ-UHFFFAOYSA-N 1 1 329.419 3.064 40 0 EGABMO CC(C)C(=O)N1CCC[N@@H+](Cc2cc(F)cc3cccnc32)CC1 ZINC000096411853 454329138 /nfs/dbraw/zinc/32/91/38/454329138.db2.gz VSMXGCFRKZSNRQ-UHFFFAOYSA-N 1 1 329.419 3.064 40 0 EGABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000096414277 454331211 /nfs/dbraw/zinc/33/12/11/454331211.db2.gz JGKDNZRUTVYAPD-CQSZACIVSA-N 1 1 347.484 3.184 40 0 EGABMO Cc1cccc(N2CCC(NC(=O)N3CCC[C@H]4CCC[C@H]43)CC2)[nH+]1 ZINC000096440386 454349651 /nfs/dbraw/zinc/34/96/51/454349651.db2.gz WLZVPXNYUMVEEN-SJLPKXTDSA-N 1 1 342.487 3.333 40 0 EGABMO C[N@@H+](Cc1csc(-c2ccccn2)n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000096443451 454351673 /nfs/dbraw/zinc/35/16/73/454351673.db2.gz LMHLJPDKPLJGFO-BMFZPTHFSA-N 1 1 329.469 3.450 40 0 EGABMO Cc1csc(C(C)(C)[NH2+]CC(=O)NCc2cccc(Cl)c2)n1 ZINC000096443395 454352139 /nfs/dbraw/zinc/35/21/39/454352139.db2.gz JSIUUOFENQEHSY-UHFFFAOYSA-N 1 1 337.876 3.246 40 0 EGABMO CCc1c(NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cnn1CC(C)C ZINC000096499595 454371173 /nfs/dbraw/zinc/37/11/73/454371173.db2.gz PXAHANOUXZAAQS-YJBOKZPZSA-N 1 1 347.507 3.050 40 0 EGABMO Cc1nc(C2(NC(=O)Cn3cc[nH+]c3C(C)C)CCCCCC2)no1 ZINC000097236176 454428559 /nfs/dbraw/zinc/42/85/59/454428559.db2.gz BYJOLXHROQRFRP-UHFFFAOYSA-N 1 1 345.447 3.064 40 0 EGABMO COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)cc1C ZINC000091555618 454446599 /nfs/dbraw/zinc/44/65/99/454446599.db2.gz RHMDAVBACKNSHU-TZMCWYRMSA-N 1 1 347.415 3.082 40 0 EGABMO Cc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000064521279 454489474 /nfs/dbraw/zinc/48/94/74/454489474.db2.gz PKUJKIBEIOCUHU-QGZVFWFLSA-N 1 1 343.496 3.022 40 0 EGABMO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000074314099 454561583 /nfs/dbraw/zinc/56/15/83/454561583.db2.gz SNWYGCSYIMNSDC-OAHLLOKOSA-N 1 1 338.436 3.294 40 0 EGABMO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1Cc1cccc2cccnc21 ZINC000074314099 454561590 /nfs/dbraw/zinc/56/15/90/454561590.db2.gz SNWYGCSYIMNSDC-OAHLLOKOSA-N 1 1 338.436 3.294 40 0 EGABMO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000136495985 454745189 /nfs/dbraw/zinc/74/51/89/454745189.db2.gz OFPGUFMZCDPUAK-CZAAIQMYSA-N 1 1 346.515 3.071 40 0 EGABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000126892876 454925117 /nfs/dbraw/zinc/92/51/17/454925117.db2.gz DZSDMGVDGMQLRC-SECBINFHSA-N 1 1 331.641 3.383 40 0 EGABMO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](OCc1cccnc1)CS2 ZINC000248019064 455670420 /nfs/dbraw/zinc/67/04/20/455670420.db2.gz IKKVNHPOLNFUNY-OAHLLOKOSA-N 1 1 347.509 3.123 40 0 EGABMO CSc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000252487572 455810271 /nfs/dbraw/zinc/81/02/71/455810271.db2.gz ZAJALAGMSRMVLZ-JKIFEVAISA-N 1 1 335.517 3.451 40 0 EGABMO CCc1[nH+]ccn1[C@H]1CCCN([C@@H](C(=O)OC)c2ccsc2)C1 ZINC000253396857 455839494 /nfs/dbraw/zinc/83/94/94/455839494.db2.gz RKYLEWBNGAJUQG-GOEBONIOSA-N 1 1 333.457 3.058 40 0 EGABMO C[N@@H+](CC(=O)Nc1nccs1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000253426773 455844903 /nfs/dbraw/zinc/84/49/03/455844903.db2.gz AYKHGFVGHFGOJI-CABCVRRESA-N 1 1 349.431 3.073 40 0 EGABMO CCCCc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@H+]3C)[nH]n1 ZINC000257277678 455881373 /nfs/dbraw/zinc/88/13/73/455881373.db2.gz NYYKURUXJMUKNL-BOLBYERCSA-N 1 1 344.503 3.230 40 0 EGABMO CCCCc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@@H+]3C)n[nH]1 ZINC000257277678 455881379 /nfs/dbraw/zinc/88/13/79/455881379.db2.gz NYYKURUXJMUKNL-BOLBYERCSA-N 1 1 344.503 3.230 40 0 EGABMO CCCCc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@H+]3C)n[nH]1 ZINC000257277678 455881381 /nfs/dbraw/zinc/88/13/81/455881381.db2.gz NYYKURUXJMUKNL-BOLBYERCSA-N 1 1 344.503 3.230 40 0 EGABMO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000257279041 455881871 /nfs/dbraw/zinc/88/18/71/455881871.db2.gz OETICCMDQMMBQI-MRXNPFEDSA-N 1 1 328.416 3.064 40 0 EGABMO Cc1nc(C)c(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@H+]3C)s1 ZINC000257306795 455888034 /nfs/dbraw/zinc/88/80/34/455888034.db2.gz SVYDVFMAOFHSND-RMRDIRSESA-N 1 1 347.528 3.166 40 0 EGABMO Cc1ncsc1C[N@H+]1CCC2(CC(Nc3cc(C)ncn3)C2)C1 ZINC000257340875 455895775 /nfs/dbraw/zinc/89/57/75/455895775.db2.gz ZHWZTMOQMRLFHH-UHFFFAOYSA-N 1 1 329.473 3.017 40 0 EGABMO Cc1c2cc(F)ccc2oc1CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000272711964 456048954 /nfs/dbraw/zinc/04/89/54/456048954.db2.gz HSWFKNWYSZWWJS-CYBMUJFWSA-N 1 1 345.418 3.330 40 0 EGABMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCOc2ccccc21 ZINC000225901500 456108042 /nfs/dbraw/zinc/10/80/42/456108042.db2.gz HXVKLQZOXXBQPL-GOSISDBHSA-N 1 1 336.435 3.324 40 0 EGABMO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccco1)C2 ZINC000503832919 458726746 /nfs/dbraw/zinc/72/67/46/458726746.db2.gz YBJIHEIWDGJRLF-DOTOQJQBSA-N 1 1 338.398 3.186 40 0 EGABMO Cc1cccc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)n1 ZINC000585104623 459824279 /nfs/dbraw/zinc/82/42/79/459824279.db2.gz JMYURRRRXBNENY-SFHVURJKSA-N 1 1 341.480 3.062 40 0 EGABMO CC(C)c1cc(C[N@@H+]2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)on1 ZINC000585279309 459832835 /nfs/dbraw/zinc/83/28/35/459832835.db2.gz ZETWJJQPQCZNOM-DNVCBOLYSA-N 1 1 332.419 3.363 40 0 EGABMO CC(C)c1cc(C[N@H+]2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)on1 ZINC000585279309 459832842 /nfs/dbraw/zinc/83/28/42/459832842.db2.gz ZETWJJQPQCZNOM-DNVCBOLYSA-N 1 1 332.419 3.363 40 0 EGABMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(F)ccc1Br ZINC000046860244 213812483 /nfs/dbraw/zinc/81/24/83/213812483.db2.gz JUFSUFKRSMJUJJ-NSHDSACASA-N 1 1 343.240 3.192 40 0 EGABMO C[NH+](C)Cc1cc(C[C@@H]2C[C@H](NC(=O)c3ccccc3)C2(C)C)no1 ZINC000067889770 215241932 /nfs/dbraw/zinc/24/19/32/215241932.db2.gz WKYBJTFTVNSUFQ-QAPCUYQASA-N 1 1 341.455 3.123 40 0 biogenic,in-vitro EGABMO CCOc1ccc(/C=C/C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000040108044 213267273 /nfs/dbraw/zinc/26/72/73/213267273.db2.gz FRFZDVQIRQFWMO-DCBYGEANSA-N 1 1 330.472 3.335 40 0 EGABMO CC(C)CO[C@@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000040092192 213262443 /nfs/dbraw/zinc/26/24/43/213262443.db2.gz LZPRIFRVLDFWTR-XJKSGUPXSA-N 1 1 326.868 3.120 40 0 EGABMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849962 213228450 /nfs/dbraw/zinc/22/84/50/213228450.db2.gz ZZCFEGLTZUPWMI-KRWDZBQOSA-N 1 1 343.858 3.263 40 0 EGABMO C[C@H]1Cc2cc([C@@H](O)C[N@H+]3CCC[C@@H](C)C3)ccc2N1C(=O)C1CC1 ZINC000036740056 213114624 /nfs/dbraw/zinc/11/46/24/213114624.db2.gz FDLHJHJBOZDUPA-SIFCLUCFSA-N 1 1 342.483 3.140 40 0 EGABMO CCCn1cc(C[N@H+]2CCC[C@H]2c2cccc(-n3ccnc3)n2)cn1 ZINC000072366773 216171037 /nfs/dbraw/zinc/17/10/37/216171037.db2.gz QNTAMOGMCLZEFS-SFHVURJKSA-N 1 1 336.443 3.211 40 0 EGABMO c1cncc(Oc2cncc([C@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072384250 216185011 /nfs/dbraw/zinc/18/50/11/216185011.db2.gz SCDQHDODWAWDEJ-HNNXBMFYSA-N 1 1 340.427 3.022 40 0 EGABMO COCCNc1cc([C@H]2CC[N@@H+]2Cc2ccc(C)cc2)nc(C)n1 ZINC000072387529 216186852 /nfs/dbraw/zinc/18/68/52/216186852.db2.gz XZXOOAJYIDCITA-GOSISDBHSA-N 1 1 326.444 3.099 40 0 EGABMO COCCNc1cc([C@H]2CC[N@H+]2Cc2ccc(C)cc2)nc(C)n1 ZINC000072387529 216186855 /nfs/dbraw/zinc/18/68/55/216186855.db2.gz XZXOOAJYIDCITA-GOSISDBHSA-N 1 1 326.444 3.099 40 0 EGABMO CC(=O)c1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)s1 ZINC000021939090 212264692 /nfs/dbraw/zinc/26/46/92/212264692.db2.gz KCQPOSDHJRTVHZ-UHFFFAOYSA-N 1 1 330.453 3.203 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2cccs2)CC[C@]12CC[C@H](C(=O)N1CCCC1)O2 ZINC000253604170 244036384 /nfs/dbraw/zinc/03/63/84/244036384.db2.gz VLRRGWVMGZTWDZ-SZVBFZGTSA-N 1 1 348.512 3.130 40 0 EGABMO COCC(=O)N1CCCCC[C@@H]2[N@@H+](C)[C@H](c3ccccc3)C[C@@]21C ZINC000257225794 244198162 /nfs/dbraw/zinc/19/81/62/244198162.db2.gz FHVYZLZINZXINC-BJLQDIEVSA-N 1 1 330.472 3.240 40 0 EGABMO CNc1cc([C@H]2CCC[N@@H+]2Cc2c(C)nc3sccn23)ccn1 ZINC000257252936 244273540 /nfs/dbraw/zinc/27/35/40/244273540.db2.gz JWTRLIWWFRYXEH-CQSZACIVSA-N 1 1 327.457 3.478 40 0 EGABMO CNc1cc([C@H]2CCC[N@H+]2Cc2c(C)nc3sccn23)ccn1 ZINC000257252936 244273544 /nfs/dbraw/zinc/27/35/44/244273544.db2.gz JWTRLIWWFRYXEH-CQSZACIVSA-N 1 1 327.457 3.478 40 0 EGABMO Cc1cc(-c2nccn2C)nc([C@@H]2CC[N@@H+](Cc3ccsc3)C2)n1 ZINC000257271801 244380856 /nfs/dbraw/zinc/38/08/56/244380856.db2.gz MZVVBMGWFCRLTK-OAHLLOKOSA-N 1 1 339.468 3.237 40 0 EGABMO CNc1ncccc1C[N@@H+]1CCCC[C@@H]1c1cc(C)n2nccc2n1 ZINC000257273858 244385062 /nfs/dbraw/zinc/38/50/62/244385062.db2.gz NINHXZGWGXKIIV-QGZVFWFLSA-N 1 1 336.443 3.202 40 0 EGABMO CNc1ncccc1C[N@H+]1CCCC[C@@H]1c1cc(C)n2nccc2n1 ZINC000257273858 244385069 /nfs/dbraw/zinc/38/50/69/244385069.db2.gz NINHXZGWGXKIIV-QGZVFWFLSA-N 1 1 336.443 3.202 40 0 EGABMO C[C@H](C[NH+]1CCOCC1)n1cncc1-c1ccc2c(c1)CC(C)(C)O2 ZINC000019719673 212057383 /nfs/dbraw/zinc/05/73/83/212057383.db2.gz QBRWMKWQCYOLCC-OAHLLOKOSA-N 1 1 341.455 3.157 40 0 EGABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000019575930 212045728 /nfs/dbraw/zinc/04/57/28/212045728.db2.gz XNIGATOWDBZRCB-SOUVJXGZSA-N 1 1 346.858 3.239 40 0 EGABMO COc1ccc(-c2cc([C@H]3CC[N@@H+](Cc4cccnc4)C3)[nH]n2)cc1 ZINC000019557943 212042319 /nfs/dbraw/zinc/04/23/19/212042319.db2.gz NQLCZQIEKQHEHX-KRWDZBQOSA-N 1 1 334.423 3.470 40 0 EGABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)no1)N1CCCC1 ZINC000019371966 212022581 /nfs/dbraw/zinc/02/25/81/212022581.db2.gz RKDCRMBGEAYESI-QGZVFWFLSA-N 1 1 339.439 3.290 40 0 EGABMO COc1ccccc1C[N@H+]1C[C@@H]2CC[C@@](O)(c3ccc(C)cn3)[C@@H]2C1 ZINC000019216022 212005561 /nfs/dbraw/zinc/00/55/61/212005561.db2.gz KBTFSGGCSJQACR-CDXJDZJCSA-N 1 1 338.451 3.128 40 0 EGABMO C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000078924653 217148899 /nfs/dbraw/zinc/14/88/99/217148899.db2.gz ADBYUQYHMVVIIF-SJORKVTESA-N 1 1 338.455 3.059 40 0 EGABMO C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000078924653 217148901 /nfs/dbraw/zinc/14/89/01/217148901.db2.gz ADBYUQYHMVVIIF-SJORKVTESA-N 1 1 338.455 3.059 40 0 EGABMO C[C@H](c1cccnc1)N(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000078926003 217148995 /nfs/dbraw/zinc/14/89/95/217148995.db2.gz IYFXKZKTQABYJS-DLBZAZTESA-N 1 1 340.471 3.305 40 0 EGABMO Cc1csc([C@H](C)NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000078925553 217149272 /nfs/dbraw/zinc/14/92/72/217149272.db2.gz GUGISWAMHIICCC-GJZGRUSLSA-N 1 1 346.500 3.332 40 0 EGABMO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)n(C(C)(C)C)n1 ZINC000079097361 217191917 /nfs/dbraw/zinc/19/19/17/217191917.db2.gz GZYKSRPJCKZVBE-CQSZACIVSA-N 1 1 344.459 3.284 40 0 EGABMO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)n(C(C)(C)C)n1 ZINC000079097361 217191919 /nfs/dbraw/zinc/19/19/19/217191919.db2.gz GZYKSRPJCKZVBE-CQSZACIVSA-N 1 1 344.459 3.284 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(NC(C)=O)c1 ZINC000079101274 217192655 /nfs/dbraw/zinc/19/26/55/217192655.db2.gz URRHFIUTYQKZMV-QGZVFWFLSA-N 1 1 332.448 3.031 40 0 EGABMO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000079289688 217205133 /nfs/dbraw/zinc/20/51/33/217205133.db2.gz WBJLMMKVVYHXDN-QGZVFWFLSA-N 1 1 341.430 3.058 40 0 EGABMO Cc1cccc(NC2CCN(C(=O)Cc3cc(F)ccc3F)CC2)[nH+]1 ZINC000080336041 217298973 /nfs/dbraw/zinc/29/89/73/217298973.db2.gz YWQCPFHRJFLNOS-UHFFFAOYSA-N 1 1 345.393 3.314 40 0 EGABMO CC[N@@H+](C)[C@H]1CN(C(=O)COc2ccccc2)C2(C1)CCCCC2 ZINC000257275272 284371765 /nfs/dbraw/zinc/37/17/65/284371765.db2.gz NOQMNWLELPWVGH-QGZVFWFLSA-N 1 1 330.472 3.321 40 0 EGABMO C=Cn1ncc(C[N@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)c1C ZINC000012188839 211315773 /nfs/dbraw/zinc/31/57/73/211315773.db2.gz UOCOACRGKUMYSB-LJQANCHMSA-N 1 1 329.419 3.305 40 0 EGABMO COc1cccc(N2CCC[N@@H+](Cc3cnc(C(C)C)nc3)CC2)c1 ZINC000012148149 211308355 /nfs/dbraw/zinc/30/83/55/211308355.db2.gz OFNDIKKLMYPAKV-UHFFFAOYSA-N 1 1 340.471 3.321 40 0 EGABMO Cc1[nH+]ccn1CCNC(=O)c1cc(C)nc2c(Cl)cccc12 ZINC000012147316 211307149 /nfs/dbraw/zinc/30/71/49/211307149.db2.gz XEVBWKREOQCGHV-UHFFFAOYSA-N 1 1 328.803 3.132 40 0 EGABMO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc2c(c1)OCCCO2 ZINC000095421026 218362081 /nfs/dbraw/zinc/36/20/81/218362081.db2.gz CDNKJLARLQEVQV-LBPRGKRZSA-N 1 1 329.425 3.408 40 0 EGABMO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000249417409 285310092 /nfs/dbraw/zinc/31/00/92/285310092.db2.gz ZTAFZZONAOHQQS-MXASKKJJSA-N 1 1 348.453 3.465 40 0 EGABMO Cc1oc2ccccc2c(=O)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000001611322 135655623 /nfs/dbraw/zinc/65/56/23/135655623.db2.gz JBFMRKRGYMTIPZ-UHFFFAOYSA-N 1 1 334.419 3.424 40 0 EGABMO Cc1ccc2c(c1)CN(Cc1ccncc1)CC1(CC[NH+](C)CC1)O2 ZINC000072394184 281071561 /nfs/dbraw/zinc/07/15/61/281071561.db2.gz GXBWSFATXQDAHE-UHFFFAOYSA-N 1 1 337.467 3.249 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC(O)(c2cccc(C)c2)CC1 ZINC000013996262 453496225 /nfs/dbraw/zinc/49/62/25/453496225.db2.gz ZDDIRYNJMXEDFD-IBGZPJMESA-N 1 1 344.499 3.070 40 0 EGABMO O[C@@H](CO[C@H]1CCCc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000014138617 453510671 /nfs/dbraw/zinc/51/06/71/453510671.db2.gz TVLVXPUNKAWTML-IRLDBZIGSA-N 1 1 337.463 3.500 40 0 EGABMO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@@H+](CC2CCCCC2)C1 ZINC000015674614 453581715 /nfs/dbraw/zinc/58/17/15/453581715.db2.gz XJSDQAJBZBBRBC-MSOLQXFVSA-N 1 1 341.455 3.348 40 0 biogenic,in-vitro EGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000019712510 453658838 /nfs/dbraw/zinc/65/88/38/453658838.db2.gz SEOPNVBLQSHLKM-ZWKOTPCHSA-N 1 1 329.419 3.396 40 0 EGABMO c1ccc(CC[N@@H+]2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)cc1 ZINC000019692563 453658922 /nfs/dbraw/zinc/65/89/22/453658922.db2.gz NWWNQBJJYWRXLR-OAQYLSRUSA-N 1 1 346.434 3.155 40 0 EGABMO c1ccc(CC[N@H+]2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)cc1 ZINC000019692563 453658925 /nfs/dbraw/zinc/65/89/25/453658925.db2.gz NWWNQBJJYWRXLR-OAQYLSRUSA-N 1 1 346.434 3.155 40 0 EGABMO NC(=O)C[C@@H]([NH3+])c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000044253028 454093020 /nfs/dbraw/zinc/09/30/20/454093020.db2.gz QRNXQIFHEBSRHA-SNVBAGLBSA-N 1 1 332.709 3.494 40 0 EGABMO Cc1ccc(N2CCC(Nc3ncc(Br)cn3)CC2)[nH+]c1 ZINC000078305602 454228497 /nfs/dbraw/zinc/22/84/97/454228497.db2.gz YNPWGFGURYZIIJ-UHFFFAOYSA-N 1 1 348.248 3.023 40 0 EGABMO Cc1cc(C[N@@H+]2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)oc1C ZINC000096041386 454266230 /nfs/dbraw/zinc/26/62/30/454266230.db2.gz XWHOGISIBFOEGM-UFYCRDLUSA-N 1 1 342.439 3.240 40 0 EGABMO Cc1cc(C[N@H+]2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)oc1C ZINC000096041386 454266237 /nfs/dbraw/zinc/26/62/37/454266237.db2.gz XWHOGISIBFOEGM-UFYCRDLUSA-N 1 1 342.439 3.240 40 0 EGABMO c1coc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC000096040219 454266417 /nfs/dbraw/zinc/26/64/17/454266417.db2.gz JJXWLGXJZZLBOO-WOJBJXKFSA-N 1 1 342.439 3.263 40 0 EGABMO Cc1ncsc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039919 454266655 /nfs/dbraw/zinc/26/66/55/454266655.db2.gz SEWYPOTXDYBQCO-ZWKOTPCHSA-N 1 1 336.501 3.249 40 0 EGABMO c1cc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)cs1 ZINC000096042198 454267941 /nfs/dbraw/zinc/26/79/41/454267941.db2.gz MVNVOPJIEXMGQY-OKZBNKHCSA-N 1 1 330.453 3.092 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)cs1 ZINC000096042198 454267943 /nfs/dbraw/zinc/26/79/43/454267943.db2.gz MVNVOPJIEXMGQY-OKZBNKHCSA-N 1 1 330.453 3.092 40 0 EGABMO Fc1ccc(C[N@H+]2CC[C@@]3(C[C@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047643 454269320 /nfs/dbraw/zinc/26/93/20/454269320.db2.gz VFYGVLVBNRIIJU-QFBILLFUSA-N 1 1 345.393 3.205 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ncc(F)cn2)C3)s1 ZINC000096047179 454269994 /nfs/dbraw/zinc/26/99/94/454269994.db2.gz UTUSWPOXYLWIRB-GOSISDBHSA-N 1 1 346.475 3.478 40 0 EGABMO Fc1cnc(N2CCC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)nc1 ZINC000096047174 454270256 /nfs/dbraw/zinc/27/02/56/454270256.db2.gz XIHAUTCLUGHFLR-KRWDZBQOSA-N 1 1 332.448 3.170 40 0 EGABMO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4c(C)noc4C)C3)CC2=O)s1 ZINC000096050868 454272970 /nfs/dbraw/zinc/27/29/70/454272970.db2.gz KTGCCOVSLHNXKI-GOSISDBHSA-N 1 1 345.468 3.290 40 0 EGABMO Fc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cc1 ZINC000096055443 454274935 /nfs/dbraw/zinc/27/49/35/454274935.db2.gz URGYCQMESLOYOG-YTQUADARSA-N 1 1 342.414 3.279 40 0 EGABMO Fc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cc1 ZINC000096055443 454274938 /nfs/dbraw/zinc/27/49/38/454274938.db2.gz URGYCQMESLOYOG-YTQUADARSA-N 1 1 342.414 3.279 40 0 EGABMO c1cc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)cs1 ZINC000096055427 454274978 /nfs/dbraw/zinc/27/49/78/454274978.db2.gz QHWOBKKISRRGJY-GVDBMIGSSA-N 1 1 330.453 3.202 40 0 EGABMO c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)cs1 ZINC000096055427 454274983 /nfs/dbraw/zinc/27/49/83/454274983.db2.gz QHWOBKKISRRGJY-GVDBMIGSSA-N 1 1 330.453 3.202 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](CN(C)Cc4ccco4)[C@H]3C2)o1 ZINC000096056296 454275009 /nfs/dbraw/zinc/27/50/09/454275009.db2.gz SUOVYLXQAPOCBZ-FFZOFVMBSA-N 1 1 344.455 3.150 40 0 EGABMO Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](CN(C)Cc4ccco4)[C@H]3C2)o1 ZINC000096056296 454275013 /nfs/dbraw/zinc/27/50/13/454275013.db2.gz SUOVYLXQAPOCBZ-FFZOFVMBSA-N 1 1 344.455 3.150 40 0 EGABMO Cc1ccsc1C[N@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096065884 454277876 /nfs/dbraw/zinc/27/78/76/454277876.db2.gz QUAGYYYOCXMJKL-JENIJYKNSA-N 1 1 344.480 3.400 40 0 EGABMO O=C(c1ccncc1)N1CCC2(C[NH+](Cc3ccccc3Cl)C2)C1 ZINC000096070778 454278340 /nfs/dbraw/zinc/27/83/40/454278340.db2.gz BUYDVLZYZBBFLH-UHFFFAOYSA-N 1 1 341.842 3.083 40 0 EGABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)c1ccsc1)[C@H]2C ZINC000096061989 454278841 /nfs/dbraw/zinc/27/88/41/454278841.db2.gz OZWLNWAPOUWILK-ZDUSSCGKSA-N 1 1 332.473 3.002 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1ccccn1)CC2 ZINC000096075287 454279613 /nfs/dbraw/zinc/27/96/13/454279613.db2.gz LOROBPXIIYUAMU-UHFFFAOYSA-N 1 1 340.471 3.317 40 0 EGABMO FCC[NH+]1CCC2(CC1)C[C@@H](Nc1ncccn1)c1ccccc1O2 ZINC000096079788 454280139 /nfs/dbraw/zinc/28/01/39/454280139.db2.gz KRMDGPZBWWSEOX-MRXNPFEDSA-N 1 1 342.418 3.216 40 0 EGABMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1Br ZINC000046860129 454292967 /nfs/dbraw/zinc/29/29/67/454292967.db2.gz BWJBHJFQIAKTLM-LBPRGKRZSA-N 1 1 325.250 3.053 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3Cc2cccc(C)n2)o1 ZINC000096186528 454300078 /nfs/dbraw/zinc/30/00/78/454300078.db2.gz GQCAFJZFJPLMAS-OALUTQOASA-N 1 1 339.439 3.057 40 0 EGABMO COC[C@@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)[N@H+]1CC1CC1 ZINC000096207188 454303899 /nfs/dbraw/zinc/30/38/99/454303899.db2.gz XURDFFNVSCRFHX-IBGZPJMESA-N 1 1 342.483 3.182 40 0 EGABMO c1csc(CN2CCC[C@@]3(CC[N@H+](Cc4nccs4)C3)C2)n1 ZINC000096215719 454305042 /nfs/dbraw/zinc/30/50/42/454305042.db2.gz YZZSJCQBSSQJAB-MRXNPFEDSA-N 1 1 334.514 3.088 40 0 EGABMO c1csc(CN2CCC[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2)n1 ZINC000096215719 454305050 /nfs/dbraw/zinc/30/50/50/454305050.db2.gz YZZSJCQBSSQJAB-MRXNPFEDSA-N 1 1 334.514 3.088 40 0 EGABMO O=C(CC1CC1)NC[C@@H]1CCC[C@]2(CC[N@@H+](Cc3ccsc3)C2)O1 ZINC000096219202 454307218 /nfs/dbraw/zinc/30/72/18/454307218.db2.gz QZSKXHRHWCJMPV-PKOBYXMFSA-N 1 1 348.512 3.178 40 0 EGABMO Fc1cccnc1N1CCC[C@]2(C1)C[N@H+](Cc1cccs1)CCO2 ZINC000096226405 454308633 /nfs/dbraw/zinc/30/86/33/454308633.db2.gz JWZLAODGEXBDKZ-GOSISDBHSA-N 1 1 347.459 3.154 40 0 EGABMO Fc1cccnc1N1CCC[C@]2(C1)C[N@@H+](Cc1cccs1)CCO2 ZINC000096226405 454308636 /nfs/dbraw/zinc/30/86/36/454308636.db2.gz JWZLAODGEXBDKZ-GOSISDBHSA-N 1 1 347.459 3.154 40 0 EGABMO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4cccnc4)C3)CC2=O)s1 ZINC000096239335 454310253 /nfs/dbraw/zinc/31/02/53/454310253.db2.gz WYTBAGAJVPJZCV-SFHVURJKSA-N 1 1 327.453 3.081 40 0 EGABMO Cc1cccc(N2CCC(NC(=O)N3CCC[C@@H]4CCC[C@@H]43)CC2)[nH+]1 ZINC000096440385 454349221 /nfs/dbraw/zinc/34/92/21/454349221.db2.gz WLZVPXNYUMVEEN-WMZOPIPTSA-N 1 1 342.487 3.333 40 0 EGABMO CN1CC[NH+](Cc2cccc(NCc3csc(C4CC4)n3)c2)CC1 ZINC000096446414 454353928 /nfs/dbraw/zinc/35/39/28/454353928.db2.gz MPAAHRIARQHAGA-UHFFFAOYSA-N 1 1 342.512 3.380 40 0 EGABMO COc1cccc2cc([C@@H](C)NCC3([NH+](C)C)CCOCC3)oc21 ZINC000096493400 454369892 /nfs/dbraw/zinc/36/98/92/454369892.db2.gz LBNNYCLDXONESS-CQSZACIVSA-N 1 1 332.444 3.203 40 0 EGABMO Cc1cc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n[nH]1 ZINC000096496348 454370966 /nfs/dbraw/zinc/37/09/66/454370966.db2.gz SMDVHYZFFMIAQH-IICXIOTHSA-N 1 1 348.491 3.169 40 0 EGABMO CN1CCC([N@H+]2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000049169431 454537562 /nfs/dbraw/zinc/53/75/62/454537562.db2.gz PFZJKDIVITVONW-AWEZNQCLSA-N 1 1 346.862 3.274 40 0 biogenic,in-vitro EGABMO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(CO)o4)C3)o2)cc1 ZINC000049169920 454537679 /nfs/dbraw/zinc/53/76/79/454537679.db2.gz QBCHJHJDJLLNMU-HNNXBMFYSA-N 1 1 339.395 3.120 40 0 biogenic,in-vitro EGABMO OCc1ccc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000093840961 454739417 /nfs/dbraw/zinc/73/94/17/454739417.db2.gz QUZJWTGOXNJOEX-ZDUSSCGKSA-N 1 1 332.469 3.487 40 0 EGABMO O=C1N(CC2CC2)CC[C@]12CCC[N@H+](Cc1cncc(Cl)c1)CC2 ZINC000108533821 454802150 /nfs/dbraw/zinc/80/21/50/454802150.db2.gz FCJDSZJIQCNZRO-LJQANCHMSA-N 1 1 347.890 3.350 40 0 EGABMO Clc1ccccc1OC[C@@H]1CCC[N@@H+](CCC2OCCO2)C1 ZINC000125192486 454802844 /nfs/dbraw/zinc/80/28/44/454802844.db2.gz XHJBOIWXWHFCRT-CQSZACIVSA-N 1 1 325.836 3.194 40 0 EGABMO c1csc(C[N@@H+]2CC[C@H]3OCCN(Cc4cccnc4)[C@@H]3CC2)c1 ZINC000247820995 455647459 /nfs/dbraw/zinc/64/74/59/455647459.db2.gz GKRSPYBYFOQTEJ-RTBURBONSA-N 1 1 343.496 3.009 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@@H]3[C@H]2CC[C@H]3CNc2cccnc2)c1 ZINC000247856776 455650372 /nfs/dbraw/zinc/65/03/72/455650372.db2.gz XUQQWUWQNBINAV-QGTPRVQTSA-N 1 1 329.469 3.235 40 0 EGABMO CCc1onc(C)c1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248941401 455739440 /nfs/dbraw/zinc/73/94/40/455739440.db2.gz YUHVTNHFIVRUPX-CJNGLKHVSA-N 1 1 342.443 3.187 40 0 EGABMO c1cc(CC[C@@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)ccn1 ZINC000257314363 455889363 /nfs/dbraw/zinc/88/93/63/455889363.db2.gz UWQCBSZTRZLFBI-IBGZPJMESA-N 1 1 337.471 3.069 40 0 EGABMO Cc1cnc([C@@H]2CCC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)s1 ZINC000257340644 455896107 /nfs/dbraw/zinc/89/61/07/455896107.db2.gz ZHAFHPKVWBQXAL-OAHLLOKOSA-N 1 1 343.500 3.221 40 0 EGABMO c1nc2n(c1-c1ccccc1)C[C@@H]1C[N@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306134841 456567966 /nfs/dbraw/zinc/56/79/66/456567966.db2.gz NZLKKQREBNZUGH-MOPGFXCFSA-N 1 1 330.435 3.249 40 0 EGABMO CCCC[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2c(C)noc2C)CC1 ZINC000585099915 459823111 /nfs/dbraw/zinc/82/31/11/459823111.db2.gz YDMITGCDRTXLGN-LJQANCHMSA-N 1 1 333.476 3.439 40 0 EGABMO CC(C)CC[N@H+]1C[C@@H]2CN(c3cc(C(F)(F)F)ncn3)CC[C@@H]21 ZINC000585108050 459825450 /nfs/dbraw/zinc/82/54/50/459825450.db2.gz XULICNQAFYJWBC-OLZOCXBDSA-N 1 1 328.382 3.052 40 0 EGABMO Cc1ccc2cc(C[N@H+]3CCC[C@H](c4nnc5n4CCC5)C3)ccc2n1 ZINC000187193438 534466878 /nfs/dbraw/zinc/46/68/78/534466878.db2.gz CCSPGGPLBMTPMO-SFHVURJKSA-N 1 1 347.466 3.461 40 0 EGABMO OCC[N@H+](Cc1cccn1-c1ccccc1F)Cc1cccnc1 ZINC000056697105 214385346 /nfs/dbraw/zinc/38/53/46/214385346.db2.gz LLIAIMHSNWFWEJ-UHFFFAOYSA-N 1 1 325.387 3.006 40 0 EGABMO OCC[N@@H+](Cc1cccn1-c1ccccc1F)Cc1cccnc1 ZINC000056697105 214385348 /nfs/dbraw/zinc/38/53/48/214385348.db2.gz LLIAIMHSNWFWEJ-UHFFFAOYSA-N 1 1 325.387 3.006 40 0 EGABMO O[C@@H](COCc1ccccc1Cl)C[N@H+]1CCc2ccccc2C1 ZINC000068048090 215273034 /nfs/dbraw/zinc/27/30/34/215273034.db2.gz UCRQLAFRTBZXLN-GOSISDBHSA-N 1 1 331.843 3.276 40 0 EGABMO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1C(=O)NCc1ccccc1 ZINC000072324103 216151696 /nfs/dbraw/zinc/15/16/96/216151696.db2.gz ULWTXIZEUORUBY-LJQANCHMSA-N 1 1 341.455 3.332 40 0 EGABMO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)NCc1ccccc1 ZINC000072324103 216151698 /nfs/dbraw/zinc/15/16/98/216151698.db2.gz ULWTXIZEUORUBY-LJQANCHMSA-N 1 1 341.455 3.332 40 0 EGABMO NC(=O)CCc1cccc([C@@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072360506 216167272 /nfs/dbraw/zinc/16/72/72/216167272.db2.gz SVXLGUCUQAQYPM-FQEVSTJZSA-N 1 1 337.467 3.269 40 0 EGABMO Cc1nc(C(C)(C)[NH2+]CC(=O)NCc2ccc(F)cc2)sc1C ZINC000072866049 216322879 /nfs/dbraw/zinc/32/28/79/216322879.db2.gz IODGSMBEGIFESU-UHFFFAOYSA-N 1 1 335.448 3.040 40 0 EGABMO Cc1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)nc1 ZINC000225744287 242014407 /nfs/dbraw/zinc/01/44/07/242014407.db2.gz IIVRRYFPGBSROI-UHFFFAOYSA-N 1 1 340.496 3.125 40 0 EGABMO c1csc(C[N@H+]2CC[C@H]3OCCN(c4cccnc4)[C@@H]3CC2)c1 ZINC000247856768 243466473 /nfs/dbraw/zinc/46/64/73/243466473.db2.gz XUCSKECROGLCQN-QZTJIDSGSA-N 1 1 329.469 3.013 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(CNC(C)=O)n2)cc1 ZINC000257210736 244149265 /nfs/dbraw/zinc/14/92/65/244149265.db2.gz BVXUKQRVLZZSNM-FQEVSTJZSA-N 1 1 339.439 3.063 40 0 EGABMO CN(C)c1nc([C@]2(C)CCC[N@@H+](Cc3cccnc3)C2)cn2cccc12 ZINC000257273719 244386749 /nfs/dbraw/zinc/38/67/49/244386749.db2.gz NHWMPKMUEJOLAB-OAQYLSRUSA-N 1 1 349.482 3.349 40 0 EGABMO Clc1ccc(C2(CN3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000019332781 212016927 /nfs/dbraw/zinc/01/69/27/212016927.db2.gz QAUAUMFDHINSIC-SFHVURJKSA-N 1 1 334.891 3.168 40 0 EGABMO CCOCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000078611593 217086489 /nfs/dbraw/zinc/08/64/89/217086489.db2.gz FKQMWRRZCCSKJK-MRXNPFEDSA-N 1 1 331.460 3.362 40 0 EGABMO COCc1c(Cl)cccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000110702528 220058185 /nfs/dbraw/zinc/05/81/85/220058185.db2.gz BZQVIIYBNCHSHD-STQMWFEESA-N 1 1 337.851 3.187 40 0 EGABMO CC(C)CC(=O)N1C[C@H]2CCC[N@@H+](Cc3cccc(F)c3F)[C@H]2C1 ZINC000012188237 211313160 /nfs/dbraw/zinc/31/31/60/211313160.db2.gz YTZIFRXRVKEZQZ-PBHICJAKSA-N 1 1 336.426 3.434 40 0 EGABMO CC(C)CC(=O)N1C[C@H]2CCC[N@H+](Cc3cccc(F)c3F)[C@H]2C1 ZINC000012188237 211313155 /nfs/dbraw/zinc/31/31/55/211313155.db2.gz YTZIFRXRVKEZQZ-PBHICJAKSA-N 1 1 336.426 3.434 40 0 EGABMO COC[C@H]1CCC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093338015 218215619 /nfs/dbraw/zinc/21/56/19/218215619.db2.gz NTOUQEWGMRFKNF-INIZCTEOSA-N 1 1 331.435 3.487 40 0 EGABMO CCN1CCN(c2cc(C[NH2+][C@H](C)c3sccc3C)ccn2)CC1 ZINC000095421340 218362648 /nfs/dbraw/zinc/36/26/48/218362648.db2.gz TWNMCOXJUSFSDE-MRXNPFEDSA-N 1 1 344.528 3.444 40 0 EGABMO COc1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc(OC)c1 ZINC000096455859 218840710 /nfs/dbraw/zinc/84/07/10/218840710.db2.gz ABUYXRSKHOCPQI-UHFFFAOYSA-N 1 1 342.443 3.192 40 0 EGABMO O=C(Cc1cccc(O)c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000097236528 219002051 /nfs/dbraw/zinc/00/20/51/219002051.db2.gz DJEPCQHSNGPJKF-UHFFFAOYSA-N 1 1 342.464 3.122 40 0 EGABMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC2CC(c3ccccc3)C2)C1 ZINC000119599246 221356501 /nfs/dbraw/zinc/35/65/01/221356501.db2.gz NIERGDQCLPJZJW-IPJUCJBFSA-N 1 1 329.488 3.210 40 0 EGABMO CN1CCN(c2ncccc2[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000072216571 257688218 /nfs/dbraw/zinc/68/82/18/257688218.db2.gz BYMDSLYMXAZQPL-FQEVSTJZSA-N 1 1 336.483 3.171 40 0 EGABMO CN1CCN(c2ncccc2[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000072216571 257688220 /nfs/dbraw/zinc/68/82/20/257688220.db2.gz BYMDSLYMXAZQPL-FQEVSTJZSA-N 1 1 336.483 3.171 40 0 EGABMO c1cc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)co1 ZINC000306138324 257923321 /nfs/dbraw/zinc/92/33/21/257923321.db2.gz RUWBVOBHKUCRTA-GOSISDBHSA-N 1 1 345.406 3.374 40 0 EGABMO COc1ccccc1C[N@H+]1CC[C@H]2COC(=O)N2c2ccccc2C1 ZINC000225483197 278049324 /nfs/dbraw/zinc/04/93/24/278049324.db2.gz WHCPXJHYPIOMOC-KRWDZBQOSA-N 1 1 338.407 3.426 40 0 biogenic,in-vitro EGABMO CC[C@@H](OC[C@@H](O)C[N@@H+](CCO)Cc1ccccc1)c1ccccc1 ZINC000006449991 452945197 /nfs/dbraw/zinc/94/51/97/452945197.db2.gz ITVGMNRFDVQDOW-LEWJYISDSA-N 1 1 343.467 3.010 40 0 EGABMO O[C@@H](c1cccnc1)c1ccccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000012337146 453356985 /nfs/dbraw/zinc/35/69/85/453356985.db2.gz RLDINPRPMRDCEJ-NRFANRHFSA-N 1 1 349.434 3.079 40 0 EGABMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCOc1ccccc1Cl ZINC000012798778 453406395 /nfs/dbraw/zinc/40/63/95/453406395.db2.gz FMCQZKMHRPYTNY-ZBFHGGJFSA-N 1 1 338.879 3.346 40 0 EGABMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCOc1ccccc1Cl ZINC000012798778 453406402 /nfs/dbraw/zinc/40/64/02/453406402.db2.gz FMCQZKMHRPYTNY-ZBFHGGJFSA-N 1 1 338.879 3.346 40 0 EGABMO CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000025302292 453764905 /nfs/dbraw/zinc/76/49/05/453764905.db2.gz JFSGYWHPLLUQSZ-IFXJQAMLSA-N 1 1 345.414 3.461 40 0 EGABMO Cn1cc(CNc2[nH+]c3cc(F)ccc3n2C)c(-c2cccnc2)n1 ZINC000184256758 455367014 /nfs/dbraw/zinc/36/70/14/455367014.db2.gz JTEXYVUMOISMCH-UHFFFAOYSA-N 1 1 336.374 3.120 40 0 EGABMO CC(=O)Nc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c1 ZINC000030943587 453842025 /nfs/dbraw/zinc/84/20/25/453842025.db2.gz ZVYFBZSGLLBSCV-UHFFFAOYSA-N 1 1 348.406 3.451 40 0 EGABMO C=Cn1ncc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2Cc2ccccc2)c1C ZINC000043568698 454068146 /nfs/dbraw/zinc/06/81/46/454068146.db2.gz LKZRMHKLPWTMBV-LEWJYISDSA-N 1 1 336.483 3.183 40 0 EGABMO Cc1cccc(OCC[N@@H+](C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000057281409 454117524 /nfs/dbraw/zinc/11/75/24/454117524.db2.gz JOBGOMAVNAHMNA-OAHLLOKOSA-N 1 1 337.423 3.303 40 0 EGABMO Cc1cccc(OCC[N@H+](C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000057281409 454117529 /nfs/dbraw/zinc/11/75/29/454117529.db2.gz JOBGOMAVNAHMNA-OAHLLOKOSA-N 1 1 337.423 3.303 40 0 EGABMO C[NH+]1CCN(C(=O)c2ccc(CN3CCCc4ccccc43)cc2)CC1 ZINC000044900140 454126004 /nfs/dbraw/zinc/12/60/04/454126004.db2.gz KNNSTQAGCZPSFD-UHFFFAOYSA-N 1 1 349.478 3.027 40 0 EGABMO O=C(NCc1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044932056 454127154 /nfs/dbraw/zinc/12/71/54/454127154.db2.gz HHFOHZCJDBXJLQ-KRWDZBQOSA-N 1 1 344.405 3.493 40 0 EGABMO CCn1ncc(C[N@@H+](Cc2ccccc2OC)C[C@H]2CCCO2)c1C ZINC000057811352 454147831 /nfs/dbraw/zinc/14/78/31/454147831.db2.gz ZJRXIUJLMGQYHW-LJQANCHMSA-N 1 1 343.471 3.401 40 0 EGABMO CCn1ncc(C[N@H+](Cc2ccccc2OC)C[C@H]2CCCO2)c1C ZINC000057811352 454147833 /nfs/dbraw/zinc/14/78/33/454147833.db2.gz ZJRXIUJLMGQYHW-LJQANCHMSA-N 1 1 343.471 3.401 40 0 EGABMO COc1ccc(OC)c(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000045959118 454201601 /nfs/dbraw/zinc/20/16/01/454201601.db2.gz OMVFRRMEUIIWAT-KGLIPLIRSA-N 1 1 335.448 3.088 40 0 EGABMO O=C(c1cccnc1)N1CCC[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096047033 454270353 /nfs/dbraw/zinc/27/03/53/454270353.db2.gz ZAAUWFXJWPUFIQ-LJQANCHMSA-N 1 1 341.480 3.271 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)o1 ZINC000096050622 454272491 /nfs/dbraw/zinc/27/24/91/454272491.db2.gz TXXGINYKGIRKGZ-HXUWFJFHSA-N 1 1 342.414 3.352 40 0 EGABMO Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4ccsc4)CC[N@H+]3C2)c1 ZINC000096055142 454274028 /nfs/dbraw/zinc/27/40/28/454274028.db2.gz AYIWWODBHTWUJB-FUHWJXTLSA-N 1 1 332.444 3.225 40 0 EGABMO Cc1ccc(CN2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)o1 ZINC000096055148 454275300 /nfs/dbraw/zinc/27/53/00/454275300.db2.gz JJGSEOORIJZVGU-VQIMIIECSA-N 1 1 330.403 3.065 40 0 EGABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccccc2Cl)cc1Cl ZINC000072227915 454276526 /nfs/dbraw/zinc/27/65/26/454276526.db2.gz RJBVXHFTRPTXGY-GJZGRUSLSA-N 1 1 337.206 3.417 40 0 EGABMO [NH3+][C@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072228245 454276576 /nfs/dbraw/zinc/27/65/76/454276576.db2.gz AFMMJESWPWQSPQ-CABCVRRESA-N 1 1 338.304 3.255 40 0 EGABMO COC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2cn(CC3CCCC3)nc21 ZINC000096059998 454276981 /nfs/dbraw/zinc/27/69/81/454276981.db2.gz OTIFKQXQXCEPTF-IBGZPJMESA-N 1 1 347.503 3.046 40 0 EGABMO c1sc([C@@H]2C[C@@H]3CC[N@H+](C4CCOCC4)C[C@H]3O2)nc1C1CC1 ZINC000096070696 454278188 /nfs/dbraw/zinc/27/81/88/454278188.db2.gz PAILLNUVCSKOJP-RRQGHBQHSA-N 1 1 334.485 3.351 40 0 EGABMO O=C(c1ccsc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccncc2)C1 ZINC000096071495 454278319 /nfs/dbraw/zinc/27/83/19/454278319.db2.gz OCMWWQYJIYAJMA-IBGZPJMESA-N 1 1 341.480 3.414 40 0 EGABMO C(OC[C@H]1C[N@@H+](CC2CCCC2)Cc2nnn(CC3CC3)c21)C1CC1 ZINC000096068864 454278748 /nfs/dbraw/zinc/27/87/48/454278748.db2.gz HLTOJDMNMXDCKU-GOSISDBHSA-N 1 1 344.503 3.204 40 0 EGABMO c1csc(C[N@H+]2CCO[C@H]3C[C@H](COCc4cccnc4)C[C@@H]32)c1 ZINC000096082859 454279986 /nfs/dbraw/zinc/27/99/86/454279986.db2.gz KKDSSFMIYKMPFI-NEWSRXKRSA-N 1 1 344.480 3.339 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3C[C@H](COCc4cccnc4)C[C@@H]32)c1 ZINC000096082859 454279988 /nfs/dbraw/zinc/27/99/88/454279988.db2.gz KKDSSFMIYKMPFI-NEWSRXKRSA-N 1 1 344.480 3.339 40 0 EGABMO O=C(Nc1ccccc1)N1C[C@H]2[C@H](C[N@H+]2CCCc2ccccc2)C1 ZINC000096080590 454280127 /nfs/dbraw/zinc/28/01/27/454280127.db2.gz ODAWGHBAUACBMA-QUCCMNQESA-N 1 1 335.451 3.467 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@@H](OCc4csc(C)n4)CO3)C2)o1 ZINC000096107785 454286144 /nfs/dbraw/zinc/28/61/44/454286144.db2.gz XTAWDSZIGVRJIV-MSOLQXFVSA-N 1 1 348.468 3.303 40 0 EGABMO Cc1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC000096159276 454295583 /nfs/dbraw/zinc/29/55/83/454295583.db2.gz XZNDUXVYMRWLNF-UHFFFAOYSA-N 1 1 337.471 3.061 40 0 EGABMO O=C(NCc1cncc2c1CC[N@@H+](Cc1ccccc1)C2)c1ccco1 ZINC000096189504 454299094 /nfs/dbraw/zinc/29/90/94/454299094.db2.gz KZSXIXNXWIACES-UHFFFAOYSA-N 1 1 347.418 3.163 40 0 EGABMO c1coc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC000096186789 454299164 /nfs/dbraw/zinc/29/91/64/454299164.db2.gz WXVRLDPTPPUGOE-QYZOEREBSA-N 1 1 328.412 3.013 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)cs1 ZINC000096186160 454300383 /nfs/dbraw/zinc/30/03/83/454300383.db2.gz SFIUSEKCAGOJSH-FHWLQOOXSA-N 1 1 344.480 3.482 40 0 EGABMO COCCO[C@H]1CC[N@@H+](Cc2cc(C)c(C)o2)[C@H]1Cc1ccncc1 ZINC000096200765 454303074 /nfs/dbraw/zinc/30/30/74/454303074.db2.gz MBZLPTIIAZRAKV-PMACEKPBSA-N 1 1 344.455 3.140 40 0 EGABMO O=C1CCCN1[C@H]1CCO[C@]2(CC[N@H+](Cc3ccc(Cl)cc3)C2)C1 ZINC000096207871 454304616 /nfs/dbraw/zinc/30/46/16/454304616.db2.gz YMCAZBNQCWLKLZ-PKOBYXMFSA-N 1 1 348.874 3.086 40 0 EGABMO CCc1cnc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C)o2)C3)nc1 ZINC000096215889 454304845 /nfs/dbraw/zinc/30/48/45/454304845.db2.gz WZQOULXVFAQJCH-FQEVSTJZSA-N 1 1 340.471 3.433 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccc[nH]4)C3)C2)o1 ZINC000096215914 454305382 /nfs/dbraw/zinc/30/53/82/454305382.db2.gz RZWCNMIZXCBSFW-IBGZPJMESA-N 1 1 327.428 3.044 40 0 EGABMO Cc1cccc(C[N@H+]2CC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)c1 ZINC000096218301 454307519 /nfs/dbraw/zinc/30/75/19/454307519.db2.gz BNOAPJQFMYWJRB-RTWAWAEBSA-N 1 1 338.451 3.340 40 0 EGABMO Cn1ccc(C[N@@H+]2CCCC23CCN(Cc2cccc(F)c2)CC3)n1 ZINC000096227944 454308818 /nfs/dbraw/zinc/30/88/18/454308818.db2.gz GRBANQWGMMZDNA-UHFFFAOYSA-N 1 1 342.462 3.190 40 0 EGABMO Cn1ccc(C[N@H+]2CCCC23CCN(Cc2cccc(F)c2)CC3)n1 ZINC000096227944 454308823 /nfs/dbraw/zinc/30/88/23/454308823.db2.gz GRBANQWGMMZDNA-UHFFFAOYSA-N 1 1 342.462 3.190 40 0 EGABMO Fc1cccnc1N[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccco1)C2 ZINC000096222989 454308894 /nfs/dbraw/zinc/30/88/94/454308894.db2.gz OZDGSDVDQYQUEW-RDTXWAMCSA-N 1 1 331.391 3.049 40 0 EGABMO Cc1nc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccccc4)C3)C2)cs1 ZINC000096238417 454310436 /nfs/dbraw/zinc/31/04/36/454310436.db2.gz MVQBIXCSXYGEIH-SFHVURJKSA-N 1 1 327.453 3.081 40 0 EGABMO Cc1nc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccccc4)C3)C2)cs1 ZINC000096238417 454310442 /nfs/dbraw/zinc/31/04/42/454310442.db2.gz MVQBIXCSXYGEIH-SFHVURJKSA-N 1 1 327.453 3.081 40 0 EGABMO c1csc(C[N@H+]2CCO[C@@H]3C[C@@H](COCc4ccccn4)C[C@@H]32)c1 ZINC000096250829 454311389 /nfs/dbraw/zinc/31/13/89/454311389.db2.gz XHELEDPQKOSEAG-ZYSHUDEJSA-N 1 1 344.480 3.339 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@@H]3C[C@@H](COCc4ccccn4)C[C@@H]32)c1 ZINC000096250829 454311394 /nfs/dbraw/zinc/31/13/94/454311394.db2.gz XHELEDPQKOSEAG-ZYSHUDEJSA-N 1 1 344.480 3.339 40 0 EGABMO Cc1nc(C[NH+]2CCC3(CC2)CC(=O)N(C)c2ccccc23)cs1 ZINC000096243946 454312027 /nfs/dbraw/zinc/31/20/27/454312027.db2.gz LDYJOJDEIQPVPZ-UHFFFAOYSA-N 1 1 341.480 3.352 40 0 EGABMO CCc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NC2CCOCC2)o1 ZINC000096417457 454333454 /nfs/dbraw/zinc/33/34/54/454333454.db2.gz KKXGXNMWJRUVSR-QGZVFWFLSA-N 1 1 334.460 3.054 40 0 EGABMO CCc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NC2CCOCC2)o1 ZINC000096417457 454333455 /nfs/dbraw/zinc/33/34/55/454333455.db2.gz KKXGXNMWJRUVSR-QGZVFWFLSA-N 1 1 334.460 3.054 40 0 EGABMO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(=O)n3ccsc3n2)s1 ZINC000096424500 454338570 /nfs/dbraw/zinc/33/85/70/454338570.db2.gz IHVYAEADTULUIE-LLVKDONJSA-N 1 1 348.497 3.276 40 0 EGABMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(=O)n3ccsc3n2)s1 ZINC000096424500 454338572 /nfs/dbraw/zinc/33/85/72/454338572.db2.gz IHVYAEADTULUIE-LLVKDONJSA-N 1 1 348.497 3.276 40 0 EGABMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3nc(OC)ccc3c2)C1 ZINC000096453143 454356093 /nfs/dbraw/zinc/35/60/93/454356093.db2.gz LFHWMFYPEWTJHL-CQSZACIVSA-N 1 1 342.443 3.049 40 0 EGABMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2C)C2CC2)C1 ZINC000096453065 454356130 /nfs/dbraw/zinc/35/61/30/454356130.db2.gz DKPQSDKITIUUOI-QFBILLFUSA-N 1 1 329.488 3.429 40 0 EGABMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(F)cc(N3CCCC3)c2)C1 ZINC000096453141 454356340 /nfs/dbraw/zinc/35/63/40/454356340.db2.gz BFMVCHIUJBTTDB-OAHLLOKOSA-N 1 1 348.466 3.231 40 0 EGABMO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCc2ccncc2)C1 ZINC000096483688 454366254 /nfs/dbraw/zinc/36/62/54/454366254.db2.gz AESKDEZQMFYFSU-SJORKVTESA-N 1 1 336.357 3.451 40 0 EGABMO Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1-c1ncco1 ZINC000096499970 454371713 /nfs/dbraw/zinc/37/17/13/454371713.db2.gz GZBLVEITZRGLMC-KRWDZBQOSA-N 1 1 342.443 3.454 40 0 EGABMO O[C@@H](C[C@@H]1CCCCC[N@H+]1CCC1OCCO1)c1cccs1 ZINC000097094914 454405414 /nfs/dbraw/zinc/40/54/14/454405414.db2.gz RSJQWERZEXESLK-GJZGRUSLSA-N 1 1 325.474 3.179 40 0 EGABMO O=C([C@@H]1CCC[C@]12CC[N@H+](Cc1cncc(Cl)c1)C2)N1CCCC1 ZINC000108531514 454801778 /nfs/dbraw/zinc/80/17/78/454801778.db2.gz AQSZHHXBEIPVSO-PKOBYXMFSA-N 1 1 347.890 3.350 40 0 EGABMO O[C@]1(c2cccnc2)CCC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC000247849430 455648878 /nfs/dbraw/zinc/64/88/78/455648878.db2.gz GCEVUISTTAMAGY-VPWXQRGCSA-N 1 1 344.405 3.480 40 0 EGABMO Cc1cccc(COC[C@H]2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccco2)n1 ZINC000247897952 455653694 /nfs/dbraw/zinc/65/36/94/455653694.db2.gz YBZOZHFMGKVKTQ-DBVUQKKJSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1cccc(COC[C@H]2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccco2)n1 ZINC000247897952 455653696 /nfs/dbraw/zinc/65/36/96/455653696.db2.gz YBZOZHFMGKVKTQ-DBVUQKKJSA-N 1 1 342.439 3.179 40 0 EGABMO Cc1ccsc1C(=O)N1CC2(C1)C[C@@H](COCC1CC1)CC[N@H+]2C ZINC000248141369 455686832 /nfs/dbraw/zinc/68/68/32/455686832.db2.gz QMRWJAJEXUZJJK-INIZCTEOSA-N 1 1 348.512 3.020 40 0 EGABMO Cc1ccsc1C(=O)N1CC2(C1)C[C@@H](COCC1CC1)CC[N@@H+]2C ZINC000248141369 455686840 /nfs/dbraw/zinc/68/68/40/455686840.db2.gz QMRWJAJEXUZJJK-INIZCTEOSA-N 1 1 348.512 3.020 40 0 EGABMO Cc1nnc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000253418483 455843558 /nfs/dbraw/zinc/84/35/58/455843558.db2.gz QYXBSRYVHXQKCR-RHSMWYFYSA-N 1 1 330.501 3.331 40 0 EGABMO O=c1cc(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)nc2sccn21 ZINC000253425577 455845336 /nfs/dbraw/zinc/84/53/36/455845336.db2.gz FYNILDRDJDAKQS-KBOKABMXSA-N 1 1 337.448 3.434 40 0 EGABMO O=c1cc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)nc2sccn21 ZINC000253425577 455845340 /nfs/dbraw/zinc/84/53/40/455845340.db2.gz FYNILDRDJDAKQS-KBOKABMXSA-N 1 1 337.448 3.434 40 0 EGABMO Cc1ncc(CN2CC[N@H+](C)[C@@H](c3ccc(OC(C)C)cc3)C2)cn1 ZINC000257289706 455884146 /nfs/dbraw/zinc/88/41/46/455884146.db2.gz PZVWJGFEWHEQEX-HXUWFJFHSA-N 1 1 340.471 3.061 40 0 EGABMO Cc1ncc(CN2CC[N@@H+](C)[C@@H](c3ccc(OC(C)C)cc3)C2)cn1 ZINC000257289706 455884147 /nfs/dbraw/zinc/88/41/47/455884147.db2.gz PZVWJGFEWHEQEX-HXUWFJFHSA-N 1 1 340.471 3.061 40 0 EGABMO Cc1cnc([C@H]2CCC[N@@H+](Cc3cnn4c3nc(C)cc4C)C2)s1 ZINC000257307967 455887315 /nfs/dbraw/zinc/88/73/15/455887315.db2.gz TUXDRKZEEIFXPM-HNNXBMFYSA-N 1 1 341.484 3.491 40 0 EGABMO c1coc(C[N@H+]2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c1 ZINC000306139426 456567551 /nfs/dbraw/zinc/56/75/51/456567551.db2.gz SWXQOCMNNZWVDR-GOSISDBHSA-N 1 1 341.436 3.380 40 0 EGABMO c1nc2n(c1-c1ccccc1)C[C@@H]1C[N@H+](Cc3ccncc3)C[C@@H]1C2 ZINC000306138268 456567979 /nfs/dbraw/zinc/56/79/79/456567979.db2.gz RTVCZACNJSGRPG-OALUTQOASA-N 1 1 330.435 3.249 40 0 EGABMO COc1ccc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cn1 ZINC000342115819 457116640 /nfs/dbraw/zinc/11/66/40/457116640.db2.gz BBJRMVZGHWWXBC-UHFFFAOYSA-N 1 1 333.382 3.081 40 0 EGABMO Fc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)cc1 ZINC000585105027 459824965 /nfs/dbraw/zinc/82/49/65/459824965.db2.gz NXJFGLHPAWTMKS-GOSISDBHSA-N 1 1 344.455 3.497 40 0 EGABMO Fc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)cc1 ZINC000585105029 459824990 /nfs/dbraw/zinc/82/49/90/459824990.db2.gz NXJFGLHPAWTMKS-SFHVURJKSA-N 1 1 344.455 3.497 40 0 EGABMO C[C@H]1C[C@@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)CCN1Cc1ccccc1 ZINC000585141365 459830035 /nfs/dbraw/zinc/83/00/35/459830035.db2.gz UNSFVKAQYZODTA-LPHOPBHVSA-N 1 1 325.456 3.272 40 0 EGABMO Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000136222464 533779892 /nfs/dbraw/zinc/77/98/92/533779892.db2.gz LYZKEFOBWGMYIT-RDJZCZTQSA-N 1 1 333.863 3.328 40 0 EGABMO Cc1nc(C[N@@H+]2CCC[C@@]3(C[C@@H](Nc4ccccn4)CO3)C2)cs1 ZINC000107228413 546695849 /nfs/dbraw/zinc/69/58/49/546695849.db2.gz QVHISMZMIDJTDG-CRAIPNDOSA-N 1 1 344.484 3.082 40 0 EGABMO Cc1nc(C[N@H+]2CCC[C@@]3(C[C@@H](Nc4ccccn4)CO3)C2)cs1 ZINC000107228413 546695857 /nfs/dbraw/zinc/69/58/57/546695857.db2.gz QVHISMZMIDJTDG-CRAIPNDOSA-N 1 1 344.484 3.082 40 0 EGABMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2sccc2C)c1C ZINC000055941484 214349526 /nfs/dbraw/zinc/34/95/26/214349526.db2.gz WQLZVNKKCHBSGN-ZDUSSCGKSA-N 1 1 348.468 3.491 40 0 EGABMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2sccc2C)c1C ZINC000055941484 214349527 /nfs/dbraw/zinc/34/95/27/214349527.db2.gz WQLZVNKKCHBSGN-ZDUSSCGKSA-N 1 1 348.468 3.491 40 0 EGABMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccncc1Cl ZINC000174428947 529970877 /nfs/dbraw/zinc/97/08/77/529970877.db2.gz SMGAXQXGVGIIJL-MRXNPFEDSA-N 1 1 343.858 3.329 40 0 EGABMO CC(C)CO[C@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000040092195 213261939 /nfs/dbraw/zinc/26/19/39/213261939.db2.gz LZPRIFRVLDFWTR-CZUORRHYSA-N 1 1 326.868 3.120 40 0 EGABMO Cc1cccc(OCCNC(=O)C[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000037170749 213134304 /nfs/dbraw/zinc/13/43/04/213134304.db2.gz KPTBVWWMUYCAFZ-UHFFFAOYSA-N 1 1 344.480 3.216 40 0 EGABMO Cc1cccc(OCCNC(=O)C[N@H+](Cc2cccs2)C2CC2)c1 ZINC000037170749 213134300 /nfs/dbraw/zinc/13/43/00/213134300.db2.gz KPTBVWWMUYCAFZ-UHFFFAOYSA-N 1 1 344.480 3.216 40 0 EGABMO CC1(C)CC(N(Cc2cccnc2)C[C@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000036740534 213114256 /nfs/dbraw/zinc/11/42/56/213114256.db2.gz ZNPDZBXOURCDQN-QGZVFWFLSA-N 1 1 331.504 3.229 40 0 EGABMO Cn1cc([C@H]([NH2+]Cc2ccc3c[nH]nc3c2)c2ccc(F)cc2)cn1 ZINC000187511629 236229866 /nfs/dbraw/zinc/22/98/66/236229866.db2.gz NCXXZQCXRMEVJA-LJQANCHMSA-N 1 1 335.386 3.315 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-n3ccnc3)C2)cc1 ZINC000072350511 216162461 /nfs/dbraw/zinc/16/24/61/216162461.db2.gz LXRWHWPFZBZOFZ-KRWDZBQOSA-N 1 1 349.438 3.051 40 0 EGABMO O=C(Nc1cnccn1)c1cccc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072355772 216163863 /nfs/dbraw/zinc/16/38/63/216163863.db2.gz BAYAJWYHUAYCGV-KRWDZBQOSA-N 1 1 337.427 3.203 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)c1 ZINC000072355458 216163981 /nfs/dbraw/zinc/16/39/81/216163981.db2.gz UWECRXQFGCUGNT-GOSISDBHSA-N 1 1 333.439 3.350 40 0 EGABMO c1cncc(Oc2cncc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072383631 216184366 /nfs/dbraw/zinc/18/43/66/216184366.db2.gz KHJXCLYFKJYSGK-KRWDZBQOSA-N 1 1 347.422 3.439 40 0 EGABMO CCn1cncc1C[N@H+]1C[C@@H]2CCC[C@](O)(c3ccc(F)cc3)[C@@H]2C1 ZINC000072389640 216190171 /nfs/dbraw/zinc/19/01/71/216190171.db2.gz YQYYLUYPHMUQTK-BEVDRBHNSA-N 1 1 343.446 3.162 40 0 EGABMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3cccnc3)n2)C1 ZINC000022293667 212289194 /nfs/dbraw/zinc/28/91/94/212289194.db2.gz TVDGNLBGFVWCJZ-STQMWFEESA-N 1 1 330.457 3.268 40 0 EGABMO O=c1ccc(C(F)(F)F)cn1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000021066021 212204875 /nfs/dbraw/zinc/20/48/75/212204875.db2.gz JWPYTGGAHMSEQD-UHFFFAOYSA-N 1 1 327.693 3.217 40 0 EGABMO CNc1cc([C@H]2CCC[N@@H+]2Cc2cnn3c2nc(C)cc3C)ccn1 ZINC000257204329 244129950 /nfs/dbraw/zinc/12/99/50/244129950.db2.gz AUAKYTIOQAMVBL-QGZVFWFLSA-N 1 1 336.443 3.120 40 0 EGABMO CNc1cc([C@H]2CCC[N@H+]2Cc2cnn3c2nc(C)cc3C)ccn1 ZINC000257204329 244129959 /nfs/dbraw/zinc/12/99/59/244129959.db2.gz AUAKYTIOQAMVBL-QGZVFWFLSA-N 1 1 336.443 3.120 40 0 EGABMO Cn1cncc1C[N@H+]1CCC[C@H](c2ccnc(Nc3ccccn3)c2)C1 ZINC000257206758 244136620 /nfs/dbraw/zinc/13/66/20/244136620.db2.gz BEUQNPJOSHKPIK-KRWDZBQOSA-N 1 1 348.454 3.333 40 0 EGABMO CC[N@H+]1CCC[C@H]1CN(Cc1nc2ccccc2[nH]1)Cc1ccccn1 ZINC000019527146 212038053 /nfs/dbraw/zinc/03/80/53/212038053.db2.gz WPFZJUAERDKAKT-SFHVURJKSA-N 1 1 349.482 3.444 40 0 EGABMO c1csc(C[N@H+]2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)c1 ZINC000019341542 212018227 /nfs/dbraw/zinc/01/82/27/212018227.db2.gz AFIYQXKOGBYPGK-ZBFHGGJFSA-N 1 1 337.452 3.021 40 0 EGABMO Cc1nc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)cc(=O)[nH]1 ZINC000019285259 212010631 /nfs/dbraw/zinc/01/06/31/212010631.db2.gz AGWBORIBHBBASL-LLVKDONJSA-N 1 1 338.238 3.375 40 0 EGABMO C[C@@H]([NH2+]Cc1cccs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000078553307 217075749 /nfs/dbraw/zinc/07/57/49/217075749.db2.gz PWUUBTKCOXEFGD-CQSZACIVSA-N 1 1 333.476 3.490 40 0 EGABMO O=c1[nH]c2ccccc2cc1C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000079311571 217206901 /nfs/dbraw/zinc/20/69/01/217206901.db2.gz KCTIKPOGLMSODE-OAQYLSRUSA-N 1 1 348.446 3.400 40 0 EGABMO Cc1ccc([C@]2(O)CCC[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@@H]32)cc1 ZINC000012186324 211313887 /nfs/dbraw/zinc/31/38/87/211313887.db2.gz LOEHXFLWUKAUCB-SESVDKBCSA-N 1 1 337.467 3.213 40 0 EGABMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)Cc1cnc2ncccn12 ZINC000093318757 218214379 /nfs/dbraw/zinc/21/43/79/218214379.db2.gz KLRXURUBQSOWPT-PXNSSMCTSA-N 1 1 349.482 3.072 40 0 EGABMO CC(C)(C)c1ncc(/C=C/C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000096430653 218804052 /nfs/dbraw/zinc/80/40/52/218804052.db2.gz UFXKICQJXXQLDU-YBJDMEARSA-N 1 1 333.501 3.054 40 0 EGABMO Cc1nc(CC[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cs1 ZINC000119075621 221238065 /nfs/dbraw/zinc/23/80/65/221238065.db2.gz SCWJKNXQVQQECI-HNNXBMFYSA-N 1 1 345.516 3.192 40 0 EGABMO C[C@@H](c1ccc(NC(=O)NCc2cccs2)cc1)[NH+]1CCOCC1 ZINC000264603237 455246438 /nfs/dbraw/zinc/24/64/38/455246438.db2.gz CHBXIOHWNDXRBY-AWEZNQCLSA-N 1 1 345.468 3.463 40 0 EGABMO C[N@H+]1CCC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)C1 ZINC000000000667 452491140 /nfs/dbraw/zinc/49/11/40/452491140.db2.gz LCFBCKSQWVQIBY-AZUAARDMSA-N 1 1 331.456 3.092 40 0 in-man EGABMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1O ZINC000000338223 452565814 /nfs/dbraw/zinc/56/58/14/452565814.db2.gz MPYHGNAJOKCMAQ-MRXNPFEDSA-N 1 1 343.423 3.190 40 0 endogenous,in-man EGABMO O=C(CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000000408098 452579670 /nfs/dbraw/zinc/57/96/70/452579670.db2.gz IRSZUZSEKPHYHT-UHFFFAOYSA-N 1 1 326.415 3.216 40 0 EGABMO Cc1nc(=O)c2ccccc2n1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC000001004790 452640450 /nfs/dbraw/zinc/64/04/50/452640450.db2.gz QDWGOEYAIBZVHD-UHFFFAOYSA-N 1 1 331.419 3.452 40 0 EGABMO CC[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C(C)=O)cc1 ZINC000001475572 452668336 /nfs/dbraw/zinc/66/83/36/452668336.db2.gz KXAMIVMIZWCHGN-LJQANCHMSA-N 1 1 327.424 3.151 40 0 EGABMO COc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000007653113 453100290 /nfs/dbraw/zinc/10/02/90/453100290.db2.gz XZPOFNHEFRRXKM-KRWDZBQOSA-N 1 1 340.467 3.265 40 0 EGABMO COc1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000007653113 453100298 /nfs/dbraw/zinc/10/02/98/453100298.db2.gz XZPOFNHEFRRXKM-KRWDZBQOSA-N 1 1 340.467 3.265 40 0 EGABMO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014809093 453544442 /nfs/dbraw/zinc/54/44/42/453544442.db2.gz HRKGBASZZGXHGY-MRXNPFEDSA-N 1 1 342.483 3.419 40 0 EGABMO C[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@H]1COc2ccccc2O1 ZINC000016378830 453605290 /nfs/dbraw/zinc/60/52/90/453605290.db2.gz JMCSRWYWSOGAHZ-SFHVURJKSA-N 1 1 335.407 3.144 40 0 EGABMO COc1cccc2cc(C[N@H+]3CCCC[C@@H]4[C@H]3CCN4C(C)=O)oc21 ZINC000019712560 453658445 /nfs/dbraw/zinc/65/84/45/453658445.db2.gz UHYFBPKSZLRNLW-QZTJIDSGSA-N 1 1 342.439 3.417 40 0 EGABMO COc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1F ZINC000029839726 453832023 /nfs/dbraw/zinc/83/20/23/453832023.db2.gz GXMJQYZDTYYEHG-UHFFFAOYSA-N 1 1 342.414 3.013 40 0 EGABMO CC[C@@H](CNC(=O)Cc1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000032445867 453872921 /nfs/dbraw/zinc/87/29/21/453872921.db2.gz ANUHXJLZDBSALA-FQEVSTJZSA-N 1 1 340.442 3.321 40 0 EGABMO COc1cccc(COC[C@@H](O)C[N@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000032489807 453875761 /nfs/dbraw/zinc/87/57/61/453875761.db2.gz YYZCKVOFEQSCLK-HOCLYGCPSA-N 1 1 347.480 3.254 40 0 EGABMO C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@@H]1CCOC1 ZINC000083243430 453945665 /nfs/dbraw/zinc/94/56/65/453945665.db2.gz OCUNZHGIMLEGFR-LBPRGKRZSA-N 1 1 330.350 3.002 40 0 EGABMO CC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000042757929 454024234 /nfs/dbraw/zinc/02/42/34/454024234.db2.gz PKWONUHYOSGDKP-IBGZPJMESA-N 1 1 337.423 3.410 40 0 EGABMO CC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000042757929 454024235 /nfs/dbraw/zinc/02/42/35/454024235.db2.gz PKWONUHYOSGDKP-IBGZPJMESA-N 1 1 337.423 3.410 40 0 EGABMO COc1cc(C[NH+]2CC(c3nc4ccc(C)cc4[nH]3)C2)cc(OC)c1 ZINC000085467293 454030138 /nfs/dbraw/zinc/03/01/38/454030138.db2.gz JKJADKKQONHXCF-UHFFFAOYSA-N 1 1 337.423 3.488 40 0 EGABMO Cc1[nH+]ccn1Cc1ccc(NC(=O)NOCc2ccccc2)cc1 ZINC000077467174 454109205 /nfs/dbraw/zinc/10/92/05/454109205.db2.gz RAUAIDLMMAIJTQ-UHFFFAOYSA-N 1 1 336.395 3.493 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)s1 ZINC000096041379 454266784 /nfs/dbraw/zinc/26/67/84/454266784.db2.gz YFYJADCTCMUZQE-FHWLQOOXSA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)s1 ZINC000096041379 454266788 /nfs/dbraw/zinc/26/67/88/454266788.db2.gz YFYJADCTCMUZQE-FHWLQOOXSA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)s1 ZINC000096042158 454267549 /nfs/dbraw/zinc/26/75/49/454267549.db2.gz FASLJPYCPPGTNK-GBESFXJTSA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)s1 ZINC000096042158 454267554 /nfs/dbraw/zinc/26/75/54/454267554.db2.gz FASLJPYCPPGTNK-GBESFXJTSA-N 1 1 344.480 3.400 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccnc2)C3)o1 ZINC000096047042 454269955 /nfs/dbraw/zinc/26/99/55/454269955.db2.gz FFRSFKRQZIYUMR-FQEVSTJZSA-N 1 1 339.439 3.111 40 0 EGABMO CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096047996 454271623 /nfs/dbraw/zinc/27/16/23/454271623.db2.gz YCMVVDRBPHZKPO-MRXNPFEDSA-N 1 1 330.428 3.128 40 0 EGABMO O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](Cc1ccccn1)C2 ZINC000096048746 454271866 /nfs/dbraw/zinc/27/18/66/454271866.db2.gz YJWNMKOPHNDTMJ-SFHVURJKSA-N 1 1 327.453 3.162 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)o1 ZINC000096050621 454272808 /nfs/dbraw/zinc/27/28/08/454272808.db2.gz TXXGINYKGIRKGZ-FQEVSTJZSA-N 1 1 342.414 3.352 40 0 EGABMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)o1 ZINC000096051181 454273197 /nfs/dbraw/zinc/27/31/97/454273197.db2.gz UPQDXXWAFIXIIL-QGZVFWFLSA-N 1 1 348.397 3.116 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)o1 ZINC000096055327 454274766 /nfs/dbraw/zinc/27/47/66/454274766.db2.gz IFDLPOIPBSGWNX-UWWQBHOKSA-N 1 1 348.468 3.241 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)o1 ZINC000096055327 454274773 /nfs/dbraw/zinc/27/47/73/454274773.db2.gz IFDLPOIPBSGWNX-UWWQBHOKSA-N 1 1 348.468 3.241 40 0 EGABMO COc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072227113 454274939 /nfs/dbraw/zinc/27/49/39/454274939.db2.gz JENCVKKJMGENGU-GJZGRUSLSA-N 1 1 336.313 3.129 40 0 EGABMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2c[nH+]c(N)c(C)c2)cc1 ZINC000072218479 454275503 /nfs/dbraw/zinc/27/55/03/454275503.db2.gz HTQRWCZZGMBSLY-KRWDZBQOSA-N 1 1 345.468 3.197 40 0 EGABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)C3CCOCC3)C[C@@H]21 ZINC000096058339 454276589 /nfs/dbraw/zinc/27/65/89/454276589.db2.gz BWMDSTQYPZRGMK-UFYCRDLUSA-N 1 1 342.483 3.050 40 0 EGABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccccc2Cl)cc1Cl ZINC000072227914 454276684 /nfs/dbraw/zinc/27/66/84/454276684.db2.gz RJBVXHFTRPTXGY-LSDHHAIUSA-N 1 1 337.206 3.417 40 0 EGABMO Cn1cnc2c1[C@H](COCc1cccnc1)[N@H+](Cc1ccccc1)CC2 ZINC000096066794 454277850 /nfs/dbraw/zinc/27/78/50/454277850.db2.gz ZNELGJTYLBQHFN-FQEVSTJZSA-N 1 1 348.450 3.131 40 0 EGABMO Cn1cnc2c1[C@H](COCc1cccnc1)[N@@H+](Cc1ccccc1)CC2 ZINC000096066794 454277853 /nfs/dbraw/zinc/27/78/53/454277853.db2.gz ZNELGJTYLBQHFN-FQEVSTJZSA-N 1 1 348.450 3.131 40 0 EGABMO COc1ccc(CN2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)cc1 ZINC000096084217 454279882 /nfs/dbraw/zinc/27/98/82/454279882.db2.gz RNFRPZYOYWOKOP-UHFFFAOYSA-N 1 1 342.487 3.093 40 0 EGABMO c1coc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)c1 ZINC000096107327 454284714 /nfs/dbraw/zinc/28/47/14/454284714.db2.gz UBGXRRGJJDIDKK-MOPGFXCFSA-N 1 1 328.412 3.015 40 0 EGABMO Cc1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC000096109015 454285722 /nfs/dbraw/zinc/28/57/22/454285722.db2.gz QNGVIPRTSWIHPS-CTNGQTDRSA-N 1 1 338.451 3.055 40 0 EGABMO Fc1ccc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)cc1 ZINC000096187629 454299788 /nfs/dbraw/zinc/29/97/88/454299788.db2.gz HWBDOSRUSYXBMQ-UHFFFAOYSA-N 1 1 334.398 3.279 40 0 EGABMO Cc1csc(CN2CCC3(C[C@H](COCC4CC4)[N@@H+](C)C3)CC2)n1 ZINC000096207678 454303684 /nfs/dbraw/zinc/30/36/84/454303684.db2.gz LRYMHLPWEKAPLY-QGZVFWFLSA-N 1 1 349.544 3.164 40 0 EGABMO Cc1csc(CN2CCC3(C[C@@H](COCC4CC4)[N@@H+](C)C3)CC2)n1 ZINC000096207679 454304491 /nfs/dbraw/zinc/30/44/91/454304491.db2.gz LRYMHLPWEKAPLY-KRWDZBQOSA-N 1 1 349.544 3.164 40 0 EGABMO Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ccc(C)nn2)C3)oc1C ZINC000096217076 454307144 /nfs/dbraw/zinc/30/71/44/454307144.db2.gz RRFROSOVIIUGDV-HXUWFJFHSA-N 1 1 340.471 3.487 40 0 EGABMO Cc1ccsc1C[N@H+]1C[C@H]2OC[C@H](COc3ccc(C)nc3)[C@H]2C1 ZINC000096219461 454307333 /nfs/dbraw/zinc/30/73/33/454307333.db2.gz LCIYHDSDYJAICD-CGTJXYLNSA-N 1 1 344.480 3.286 40 0 EGABMO c1csc(C[NH+]2CCC3(C[C@H](Oc4ccccc4)CO3)CC2)n1 ZINC000096221809 454309124 /nfs/dbraw/zinc/30/91/24/454309124.db2.gz ZHKJXVLDOQNVIJ-INIZCTEOSA-N 1 1 330.453 3.346 40 0 EGABMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)C1 ZINC000096268569 454314976 /nfs/dbraw/zinc/31/49/76/454314976.db2.gz UTYAWJRGYFHCBP-MRXNPFEDSA-N 1 1 326.362 3.263 40 0 EGABMO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](Cc3nccs3)C[C@H]21 ZINC000096263806 454315033 /nfs/dbraw/zinc/31/50/33/454315033.db2.gz CSIBOCUDEUVKRR-CABCVRRESA-N 1 1 336.464 3.315 40 0 EGABMO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000096414432 454331134 /nfs/dbraw/zinc/33/11/34/454331134.db2.gz XUOJEJSVBJBSSH-DZGCQCFKSA-N 1 1 342.405 3.342 40 0 EGABMO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000047227859 454343466 /nfs/dbraw/zinc/34/34/66/454343466.db2.gz RZKUTOYUEMEPSC-UHFFFAOYSA-N 1 1 338.451 3.066 40 0 EGABMO COC(=O)c1ccc(Cl)c(C[NH+]2CCC(n3cccn3)CC2)c1 ZINC000096500521 454371994 /nfs/dbraw/zinc/37/19/94/454371994.db2.gz JFFDPVLQJVVTEY-UHFFFAOYSA-N 1 1 333.819 3.160 40 0 EGABMO CCc1[nH+]cc(-c2ccccc2Cl)c2c1C=Nc1n[nH]c(C)c1N2 ZINC000265540587 455340123 /nfs/dbraw/zinc/34/01/23/455340123.db2.gz IBHPPTOHDQCQFI-UHFFFAOYSA-N 1 1 337.814 3.111 40 0 EGABMO c1csc(C[N@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1 ZINC000247823228 455648103 /nfs/dbraw/zinc/64/81/03/455648103.db2.gz HTFXWPNKDZRIQQ-XIRDDKMYSA-N 1 1 330.453 3.202 40 0 EGABMO c1csc(C[N@@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1 ZINC000247823228 455648122 /nfs/dbraw/zinc/64/81/22/455648122.db2.gz HTFXWPNKDZRIQQ-XIRDDKMYSA-N 1 1 330.453 3.202 40 0 EGABMO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000249089480 455744256 /nfs/dbraw/zinc/74/42/56/455744256.db2.gz CRWFLEGRKVNBHW-IIAWOOMASA-N 1 1 334.426 3.198 40 0 EGABMO C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@]12CCN(c1ccsc1)C2=O ZINC000249694934 455767853 /nfs/dbraw/zinc/76/78/53/455767853.db2.gz PXRWQMPRCGFUMF-RDTXWAMCSA-N 1 1 327.453 3.018 40 0 EGABMO CS(=O)(=O)CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCc2ccccc21 ZINC000252486186 455811010 /nfs/dbraw/zinc/81/10/10/455811010.db2.gz GMYMFWXGMSIVJE-RBUKOAKNSA-N 1 1 335.513 3.396 40 0 EGABMO Fc1ccc(OC[C@@H]2CCCO2)c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000253369797 455834834 /nfs/dbraw/zinc/83/48/34/455834834.db2.gz IFUSBAMEZKLWQD-IKGGRYGDSA-N 1 1 334.435 3.422 40 0 EGABMO Cc1cc(-c2snnc2[C@@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)on1 ZINC000253600204 455854779 /nfs/dbraw/zinc/85/47/79/455854779.db2.gz JKJYHRFGBXHNPF-ZIAGYGMSSA-N 1 1 346.456 3.374 40 0 EGABMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000253605486 455854924 /nfs/dbraw/zinc/85/49/24/455854924.db2.gz GWIKTCAIDIIMEL-YJBOKZPZSA-N 1 1 340.471 3.491 40 0 EGABMO Cn1cncc1-c1nccnc1[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000257299963 455886254 /nfs/dbraw/zinc/88/62/54/455886254.db2.gz RSIOFDTZXOXSJW-HNNXBMFYSA-N 1 1 325.460 3.389 40 0 EGABMO CCc1[nH+]ccn1CCC(=O)N1CCC(Cc2ccnc(C)c2)CC1 ZINC000257323596 455891829 /nfs/dbraw/zinc/89/18/29/455891829.db2.gz WLAIJYWZHDVKRF-UHFFFAOYSA-N 1 1 340.471 3.020 40 0 EGABMO CNC(=O)c1sc2nc([C@@H]3CCCC[N@H+]3CC3CC3)ccc2c1N ZINC000257323944 455891959 /nfs/dbraw/zinc/89/19/59/455891959.db2.gz WMNIPBDDHSRQHD-AWEZNQCLSA-N 1 1 344.484 3.175 40 0 EGABMO CCc1[nH+]ccn1CCC(=O)N1CCC(C)(c2ncc(C)s2)CC1 ZINC000257324994 455892016 /nfs/dbraw/zinc/89/20/16/455892016.db2.gz WRAIPBGTDVCTSW-UHFFFAOYSA-N 1 1 346.500 3.181 40 0 EGABMO Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000195566228 455986044 /nfs/dbraw/zinc/98/60/44/455986044.db2.gz LYZKEFOBWGMYIT-DOTOQJQBSA-N 1 1 333.863 3.328 40 0 EGABMO CCc1nnc2sc(C3=CC[N@@H+](Cc4ccccc4)CC3)nn12 ZINC000226250526 456107100 /nfs/dbraw/zinc/10/71/00/456107100.db2.gz IBHKWAWSSPGBEV-UHFFFAOYSA-N 1 1 325.441 3.038 40 0 EGABMO c1coc(C[N@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306137404 456566627 /nfs/dbraw/zinc/56/66/27/456566627.db2.gz QVMQMPHQBCNCAV-KRWDZBQOSA-N 1 1 345.406 3.374 40 0 EGABMO Cc1ccsc1C[N@H+]1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1 ZINC000306143421 456569401 /nfs/dbraw/zinc/56/94/01/456569401.db2.gz YCAFLQQADCGACF-ARFHVFGLSA-N 1 1 329.469 3.010 40 0 EGABMO Cc1nc(C)c(C[N@H+]2CCC[C@]3(CCC(=O)N3CCF)CC2)s1 ZINC000585100586 459823336 /nfs/dbraw/zinc/82/33/36/459823336.db2.gz OUFFAQAEDOICGQ-KRWDZBQOSA-N 1 1 339.480 3.077 40 0 EGABMO COC[C@H]1CN(Cc2csc(C)n2)CC12CC[NH+](C(C)C)CC2 ZINC000585103808 459823983 /nfs/dbraw/zinc/82/39/83/459823983.db2.gz RPFRLWICVJCGGY-MRXNPFEDSA-N 1 1 337.533 3.020 40 0 EGABMO COCC[N@H+]1CCCC[C@H]1C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000585113260 459826413 /nfs/dbraw/zinc/82/64/13/459826413.db2.gz XEUSDWGBIFOAGZ-IBGZPJMESA-N 1 1 348.462 3.179 40 0 EGABMO O[C@@]1(COc2ccc(Cl)cc2)COCC[N@H+](C2CCCCC2)C1 ZINC000585282253 459832476 /nfs/dbraw/zinc/83/24/76/459832476.db2.gz ZZUHVWKQZIKUEX-GOSISDBHSA-N 1 1 339.863 3.115 40 0 EGABMO CS(=O)(=O)c1ccc(C[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC000623378109 460516407 /nfs/dbraw/zinc/51/64/07/460516407.db2.gz SYQFWCIFENWHNG-UHFFFAOYSA-N 1 1 349.399 3.460 40 0 EGABMO CC(C)C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1 ZINC000257254488 535114644 /nfs/dbraw/zinc/11/46/44/535114644.db2.gz KDGLPBRHBLYWPA-LJQANCHMSA-N 1 1 347.434 3.200 40 0 EGABMO CC(C)C[N@H+]1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1 ZINC000257254488 535114648 /nfs/dbraw/zinc/11/46/48/535114648.db2.gz KDGLPBRHBLYWPA-LJQANCHMSA-N 1 1 347.434 3.200 40 0 EGABMO CC(=O)N1CCc2cc([C@H](O)C[N@H+]3CCC[C@H]4CCCC[C@@H]43)ccc21 ZINC000036719269 213113117 /nfs/dbraw/zinc/11/31/17/213113117.db2.gz VLTGLJGOXUUTIJ-LKUPVBHCSA-N 1 1 342.483 3.284 40 0 EGABMO COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1Br ZINC000072324725 216151094 /nfs/dbraw/zinc/15/10/94/216151094.db2.gz FHEYWCHCHCCOSJ-OCCSQVGLSA-N 1 1 339.277 3.126 40 0 EGABMO CC(C)[N@H+]1CCC[C@@H](Cc2ccc(NCc3cccnc3)nn2)C1 ZINC000072365782 216172203 /nfs/dbraw/zinc/17/22/03/216172203.db2.gz LSYBJOBBACGCKT-INIZCTEOSA-N 1 1 325.460 3.147 40 0 EGABMO Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377887 216179687 /nfs/dbraw/zinc/17/96/87/216179687.db2.gz DMWLZFGOBCPFMI-QGZVFWFLSA-N 1 1 348.410 3.053 40 0 EGABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000072378443 216180958 /nfs/dbraw/zinc/18/09/58/216180958.db2.gz MPQSGHJDCZMOEZ-LJQANCHMSA-N 1 1 346.434 3.482 40 0 EGABMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245343819 243103458 /nfs/dbraw/zinc/10/34/58/243103458.db2.gz VVDGXOFOBHDJBH-SUMWQHHRSA-N 1 1 347.821 3.297 40 0 EGABMO C[N@H+]1CC[C@@H](CNC(=O)c2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245343819 243103462 /nfs/dbraw/zinc/10/34/62/243103462.db2.gz VVDGXOFOBHDJBH-SUMWQHHRSA-N 1 1 347.821 3.297 40 0 EGABMO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)nc1 ZINC000257207509 244139938 /nfs/dbraw/zinc/13/99/38/244139938.db2.gz BIBWWADLDUDQPV-INIZCTEOSA-N 1 1 337.427 3.456 40 0 EGABMO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)nc1 ZINC000257207509 244139944 /nfs/dbraw/zinc/13/99/44/244139944.db2.gz BIBWWADLDUDQPV-INIZCTEOSA-N 1 1 337.427 3.456 40 0 EGABMO CC(C)CC(=O)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CCOCC1 ZINC000257213820 244159045 /nfs/dbraw/zinc/15/90/45/244159045.db2.gz CJEUCGFRMWZKLP-RTBURBONSA-N 1 1 336.520 3.305 40 0 EGABMO Cc1cc(-c2nccn2C)nc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257272201 244378966 /nfs/dbraw/zinc/37/89/66/244378966.db2.gz NBLFLPUGMDNLLK-QGZVFWFLSA-N 1 1 333.439 3.175 40 0 EGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@@H]1CCCO1 ZINC000019589068 212049182 /nfs/dbraw/zinc/04/91/82/212049182.db2.gz CDAGOIRBQFZPQK-YRPNKDGESA-N 1 1 342.483 3.034 40 0 EGABMO C[C@H]1C[C@@H]1C(=O)N(C)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019462659 212031355 /nfs/dbraw/zinc/03/13/55/212031355.db2.gz XYXLQFRGOUIUPI-TYJOOELLSA-N 1 1 342.483 3.307 40 0 EGABMO CC(C)[N@@H+]1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 ZINC000019448645 212028828 /nfs/dbraw/zinc/02/88/28/212028828.db2.gz JJCQNJQREZLTDU-UHFFFAOYSA-N 1 1 344.499 3.303 40 0 EGABMO CC(C)[N@H+]1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 ZINC000019448645 212028829 /nfs/dbraw/zinc/02/88/29/212028829.db2.gz JJCQNJQREZLTDU-UHFFFAOYSA-N 1 1 344.499 3.303 40 0 EGABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccccc4F)C[C@H]32)nc1 ZINC000019216019 212005571 /nfs/dbraw/zinc/00/55/71/212005571.db2.gz QIYLVTNGJOUKIP-VPWXQRGCSA-N 1 1 326.415 3.259 40 0 EGABMO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)s1 ZINC000080127379 217281067 /nfs/dbraw/zinc/28/10/67/217281067.db2.gz SFSLXEHEVAEUIE-MNOVXSKESA-N 1 1 345.306 3.072 40 0 EGABMO O[C@@]1(c2cccnc2)CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000012337134 211351449 /nfs/dbraw/zinc/35/14/49/211351449.db2.gz GCEVUISTTAMAGY-OXFYSEKESA-N 1 1 344.405 3.480 40 0 EGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4ccsc4)C3)cc(N)n2n1 ZINC000012185898 211313067 /nfs/dbraw/zinc/31/30/67/211313067.db2.gz WYULBGNQBYDOQU-CQSZACIVSA-N 1 1 327.457 3.061 40 0 EGABMO COC[C@@H]1CCC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000093338016 218215257 /nfs/dbraw/zinc/21/52/57/218215257.db2.gz NTOUQEWGMRFKNF-MRXNPFEDSA-N 1 1 331.435 3.487 40 0 EGABMO c1csc(C[NH+]2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)n1 ZINC000096047852 218535962 /nfs/dbraw/zinc/53/59/62/218535962.db2.gz QJPPZULQZSDCLD-QGZVFWFLSA-N 1 1 344.480 3.483 40 0 EGABMO COc1ccsc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000096432969 218808517 /nfs/dbraw/zinc/80/85/17/218808517.db2.gz FKEPDRSEXPUFSG-INIZCTEOSA-N 1 1 344.480 3.351 40 0 EGABMO CC[C@H]1C[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@](C(=O)OC)(C2)[C@@H]13 ZINC000005082116 210386788 /nfs/dbraw/zinc/38/67/88/210386788.db2.gz NVVDQMVGALBDGE-JHUWSKFTSA-N 1 1 338.451 3.255 40 0 biogenic,in-vitro EGABMO C[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1cccc(F)c1F ZINC000097234317 219002646 /nfs/dbraw/zinc/00/26/46/219002646.db2.gz HWQMXLNTAGFVEC-ZENOOKHLSA-N 1 1 337.414 3.152 40 0 EGABMO CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@H+]2Cc1cccnc1 ZINC000019589300 277071062 /nfs/dbraw/zinc/07/10/62/277071062.db2.gz MSIFOSFSVIKHLS-VAMGGRTRSA-N 1 1 325.431 3.283 40 0 EGABMO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1cccnc1 ZINC000019589300 277071063 /nfs/dbraw/zinc/07/10/63/277071063.db2.gz MSIFOSFSVIKHLS-VAMGGRTRSA-N 1 1 325.431 3.283 40 0 EGABMO C[N@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1cccnc1 ZINC000019589300 277071064 /nfs/dbraw/zinc/07/10/64/277071064.db2.gz MSIFOSFSVIKHLS-VAMGGRTRSA-N 1 1 325.431 3.283 40 0 EGABMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1ccccc1 ZINC000096061669 279396027 /nfs/dbraw/zinc/39/60/27/279396027.db2.gz MOPZLKPOUZZBDC-MSOLQXFVSA-N 1 1 326.440 3.446 40 0 EGABMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1 ZINC000293648253 308149590 /nfs/dbraw/zinc/14/95/90/308149590.db2.gz GRAKIZWYEBVZCW-KRWDZBQOSA-N 1 1 334.423 3.471 40 0 EGABMO CC[N@@H+]1CC[C@H](NCc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000414544604 309087689 /nfs/dbraw/zinc/08/76/89/309087689.db2.gz PECXYSHZTWPPPJ-INIZCTEOSA-N 1 1 332.879 3.326 40 0 EGABMO CC[N@H+]1CC[C@H](NCc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 ZINC000414544604 309087690 /nfs/dbraw/zinc/08/76/90/309087690.db2.gz PECXYSHZTWPPPJ-INIZCTEOSA-N 1 1 332.879 3.326 40 0 EGABMO CCCn1cc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cn1 ZINC000097237941 323215613 /nfs/dbraw/zinc/21/56/13/323215613.db2.gz YTAOKZNAQMILMN-UHFFFAOYSA-N 1 1 347.488 3.378 40 0 EGABMO O=C(C[NH+]1CCCC1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000007814780 453121422 /nfs/dbraw/zinc/12/14/22/453121422.db2.gz YAHFQZBKFHOKOV-AWEZNQCLSA-N 1 1 329.425 3.115 40 0 EGABMO C[NH2+]CCCNCc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000008377071 453199631 /nfs/dbraw/zinc/19/96/31/453199631.db2.gz RWEDMJAPOKRGMA-UHFFFAOYSA-N 1 1 332.419 3.112 40 0 EGABMO Cc1[nH]c2ccc(C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1C ZINC000012981643 453431996 /nfs/dbraw/zinc/43/19/96/453431996.db2.gz LXFIUVVMAROKNN-OKILXGFUSA-N 1 1 343.471 3.014 40 0 EGABMO C[C@@H](NC(=O)C[N@H+](C)CCOc1ccccc1F)c1ccccc1 ZINC000014135386 453509624 /nfs/dbraw/zinc/50/96/24/453509624.db2.gz GQDIUXDNHZOMRT-OAHLLOKOSA-N 1 1 330.403 3.014 40 0 EGABMO C[C@@H](NC(=O)C[N@@H+](C)CCOc1ccccc1F)c1ccccc1 ZINC000014135386 453509634 /nfs/dbraw/zinc/50/96/34/453509634.db2.gz GQDIUXDNHZOMRT-OAHLLOKOSA-N 1 1 330.403 3.014 40 0 EGABMO O=C(CCc1ccccc1F)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032399848 453869841 /nfs/dbraw/zinc/86/98/41/453869841.db2.gz LPLUBIBVKBYATG-UHFFFAOYSA-N 1 1 340.442 3.323 40 0 EGABMO Cc1ccc(N2CCC(NC(=O)Nc3cccnc3Cl)CC2)[nH+]c1 ZINC000075418784 453891950 /nfs/dbraw/zinc/89/19/50/453891950.db2.gz DLEANTCLVXUNPE-UHFFFAOYSA-N 1 1 345.834 3.229 40 0 EGABMO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccccc1 ZINC000089141008 454124291 /nfs/dbraw/zinc/12/42/91/454124291.db2.gz NJXXEJZFQDKZBG-IFXJQAMLSA-N 1 1 337.423 3.213 40 0 EGABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3F)n[nH]2)cc1OC ZINC000095534281 454229954 /nfs/dbraw/zinc/22/99/54/454229954.db2.gz RIDBEAAFMLDTIE-MRXNPFEDSA-N 1 1 342.374 3.066 40 0 EGABMO Cc1ccc([C@@H]([NH3+])c2nc(-c3ccc(Br)o3)n[nH]2)cc1 ZINC000095534181 454230389 /nfs/dbraw/zinc/23/03/89/454230389.db2.gz JVDHDIHIHTUGDD-GFCCVEGCSA-N 1 1 333.189 3.184 40 0 EGABMO CCOc1cc([C@H]([NH3+])c2nnc(-c3ccc(F)cc3)[nH]2)ccc1OC ZINC000095534352 454230675 /nfs/dbraw/zinc/23/06/75/454230675.db2.gz QHUJCHFIYGWNRD-INIZCTEOSA-N 1 1 342.374 3.066 40 0 EGABMO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(C)cc3)[nH]2)cc1OC ZINC000095534203 454231053 /nfs/dbraw/zinc/23/10/53/454231053.db2.gz FYSVXQNIEYJXAI-KRWDZBQOSA-N 1 1 338.411 3.236 40 0 EGABMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cnn(C)c2)C3)s1 ZINC000096046986 454269215 /nfs/dbraw/zinc/26/92/15/454269215.db2.gz XSOSRKVNXVUZJU-LJQANCHMSA-N 1 1 344.528 3.278 40 0 EGABMO Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096047155 454269786 /nfs/dbraw/zinc/26/97/86/454269786.db2.gz MHPWFKDJNDAYSL-LJQANCHMSA-N 1 1 326.419 3.108 40 0 EGABMO O=C(c1cccs1)N1CCC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096046557 454269944 /nfs/dbraw/zinc/26/99/44/454269944.db2.gz RJCFOAPETXPMEZ-UHFFFAOYSA-N 1 1 347.509 3.333 40 0 EGABMO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4csc(C)n4)C3)CC2=O)s1 ZINC000096050869 454272210 /nfs/dbraw/zinc/27/22/10/454272210.db2.gz CMGOKNIKHBNDBO-KRWDZBQOSA-N 1 1 347.509 3.450 40 0 EGABMO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4csc(C)n4)C3)CC2=O)s1 ZINC000096050869 454272214 /nfs/dbraw/zinc/27/22/14/454272214.db2.gz CMGOKNIKHBNDBO-KRWDZBQOSA-N 1 1 347.509 3.450 40 0 EGABMO c1csc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049540 454272461 /nfs/dbraw/zinc/27/24/61/454272461.db2.gz HMCBSXYMUVTODJ-LJQANCHMSA-N 1 1 343.496 3.262 40 0 EGABMO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccco1)CC2 ZINC000096051575 454272680 /nfs/dbraw/zinc/27/26/80/454272680.db2.gz JDLJSUCATREACL-KRWDZBQOSA-N 1 1 328.412 3.389 40 0 EGABMO Cc1nc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cs1 ZINC000096050725 454273098 /nfs/dbraw/zinc/27/30/98/454273098.db2.gz XDTFCHOIAWSZFZ-SFHVURJKSA-N 1 1 345.443 3.220 40 0 EGABMO Cc1nc(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cs1 ZINC000096050725 454273100 /nfs/dbraw/zinc/27/31/00/454273100.db2.gz XDTFCHOIAWSZFZ-SFHVURJKSA-N 1 1 345.443 3.220 40 0 EGABMO CN1CCN(c2ccc([C@@H]3CCC[N@@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216511 454273273 /nfs/dbraw/zinc/27/32/73/454273273.db2.gz OYOLBOTZYZOWTI-FQEVSTJZSA-N 1 1 336.483 3.171 40 0 EGABMO CN1CCN(c2ccc([C@@H]3CCC[N@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216511 454273280 /nfs/dbraw/zinc/27/32/80/454273280.db2.gz OYOLBOTZYZOWTI-FQEVSTJZSA-N 1 1 336.483 3.171 40 0 EGABMO CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1CN(Cc1ccc(C)o1)CCC2 ZINC000096055904 454274822 /nfs/dbraw/zinc/27/48/22/454274822.db2.gz SECWQRALNWAVQA-PXNSSMCTSA-N 1 1 348.487 3.074 40 0 EGABMO CN(Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000096056295 454275491 /nfs/dbraw/zinc/27/54/91/454275491.db2.gz SCMLNPXUYUIPOE-YTQUADARSA-N 1 1 346.496 3.310 40 0 EGABMO CNc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c(C)[nH+]1 ZINC000072219109 454275543 /nfs/dbraw/zinc/27/55/43/454275543.db2.gz ZUPZZALQHIRGCT-QGZVFWFLSA-N 1 1 345.468 3.266 40 0 EGABMO Fc1ccc(-c2ncnc3c2CC[N@@H+](Cc2ccccn2)CC3)cc1 ZINC000096058704 454275814 /nfs/dbraw/zinc/27/58/14/454275814.db2.gz MJGGKEOKJFRPEN-UHFFFAOYSA-N 1 1 334.398 3.279 40 0 EGABMO O=C(c1ccsc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccncc2)C1 ZINC000096071494 454278826 /nfs/dbraw/zinc/27/88/26/454278826.db2.gz OCMWWQYJIYAJMA-LJQANCHMSA-N 1 1 341.480 3.414 40 0 EGABMO c1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COCC3CCOCC3)C2)cc1 ZINC000096110363 454286043 /nfs/dbraw/zinc/28/60/43/454286043.db2.gz LHUVQZWEEFPDRT-RTWAWAEBSA-N 1 1 345.483 3.111 40 0 EGABMO Cc1occc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096158089 454293962 /nfs/dbraw/zinc/29/39/62/454293962.db2.gz AAAWNMVUUBFAGB-GOSISDBHSA-N 1 1 345.468 3.173 40 0 EGABMO Cc1occc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096158089 454293966 /nfs/dbraw/zinc/29/39/66/454293966.db2.gz AAAWNMVUUBFAGB-GOSISDBHSA-N 1 1 345.468 3.173 40 0 EGABMO Cc1cccc(COC[C@H]2CC[C@H]3[C@H](CC[N@H+]3Cc3ccoc3)O2)n1 ZINC000096186772 454298927 /nfs/dbraw/zinc/29/89/27/454298927.db2.gz GIPAFTZGVGMWPU-AABGKKOBSA-N 1 1 342.439 3.322 40 0 EGABMO Cn1cc(C[C@H]2[C@H](OCC3CC3)CC[N@H+]2Cc2ccsc2)cn1 ZINC000096200249 454302462 /nfs/dbraw/zinc/30/24/62/454302462.db2.gz MWBVMOJMTYEPSJ-ZWKOTPCHSA-N 1 1 331.485 3.094 40 0 EGABMO c1cc(C[N@H+]2CC[C@]3(C2)C[C@H](Nc2ccccn2)CCO3)cs1 ZINC000096205992 454304302 /nfs/dbraw/zinc/30/43/02/454304302.db2.gz NRVPLAQTZZBDSM-SJLPKXTDSA-N 1 1 329.469 3.379 40 0 EGABMO Cc1ccoc1C(=O)N1CCC2(CC[C@H](COCC3CC3)[N@@H+]2C)CC1 ZINC000096208669 454305444 /nfs/dbraw/zinc/30/54/44/454305444.db2.gz OSEROHBRIKNYJP-QGZVFWFLSA-N 1 1 346.471 3.084 40 0 EGABMO Fc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216925 454307021 /nfs/dbraw/zinc/30/70/21/454307021.db2.gz YOEIYCGQGADOPN-LJQANCHMSA-N 1 1 326.419 3.108 40 0 EGABMO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4ccncc4)C3)CC2=O)s1 ZINC000096239337 454310517 /nfs/dbraw/zinc/31/05/17/454310517.db2.gz CUQYZOSCHGZKRV-SFHVURJKSA-N 1 1 327.453 3.081 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)o1 ZINC000096244834 454311071 /nfs/dbraw/zinc/31/10/71/454311071.db2.gz CEFVYXYBTXNHLX-NRFANRHFSA-N 1 1 336.435 3.488 40 0 EGABMO CC(C)NC(=O)N1CC[C@@H](F)[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096241270 454311502 /nfs/dbraw/zinc/31/15/02/454311502.db2.gz FEEGXCIVAJOQOH-NVXWUHKLSA-N 1 1 339.480 3.102 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCCN(Cc4ccncc4)[C@@H]3CC2)cs1 ZINC000096249411 454311739 /nfs/dbraw/zinc/31/17/39/454311739.db2.gz HJVYVSMAVAQMAD-RTBURBONSA-N 1 1 343.496 3.009 40 0 EGABMO CCc1ocnc1C(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000096420389 454335571 /nfs/dbraw/zinc/33/55/71/454335571.db2.gz CKKHVRQLKVUALX-KBXCAEBGSA-N 1 1 344.411 3.095 40 0 EGABMO Cc1cnc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000096433760 454344472 /nfs/dbraw/zinc/34/44/72/454344472.db2.gz MAYCGGIKSWPQJE-INIZCTEOSA-N 1 1 344.484 3.437 40 0 EGABMO CSc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000096461206 454359653 /nfs/dbraw/zinc/35/96/53/454359653.db2.gz ZAJALAGMSRMVLZ-ZQIUZPCESA-N 1 1 335.517 3.451 40 0 EGABMO CC(C)(C)OC(=O)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000096484346 454366167 /nfs/dbraw/zinc/36/61/67/454366167.db2.gz YKNYBBXOYYPXBJ-QZTJIDSGSA-N 1 1 330.472 3.358 40 0 EGABMO C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nccs1 ZINC000097378824 454435982 /nfs/dbraw/zinc/43/59/82/454435982.db2.gz GFABNTBMLOOSDT-DZKIICNBSA-N 1 1 344.484 3.024 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1 ZINC000049169548 454537158 /nfs/dbraw/zinc/53/71/58/454537158.db2.gz UZJGHDGWYYNUQA-INIZCTEOSA-N 1 1 336.395 3.130 40 0 biogenic,in-vitro EGABMO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3ccco3)C2)o1 ZINC000049170014 454537388 /nfs/dbraw/zinc/53/73/88/454537388.db2.gz ZIOBMPUEICRAJB-ZDUSSCGKSA-N 1 1 325.368 3.328 40 0 biogenic,in-vitro EGABMO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000249840060 455777692 /nfs/dbraw/zinc/77/76/92/455777692.db2.gz WBVLCVHAYAQPDX-YPMHNXCESA-N 1 1 343.254 3.067 40 0 EGABMO COCCC1(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)CCCCC1 ZINC000249940765 455783623 /nfs/dbraw/zinc/78/36/23/455783623.db2.gz SYVKWEDGZQGWQE-RCCFBDPRSA-N 1 1 325.493 3.242 40 0 EGABMO COc1ccc([C@@H]2[C@@H](CNC(=O)C3(SC)CC3)CCC[N@H+]2C)cc1 ZINC000252499960 455815601 /nfs/dbraw/zinc/81/56/01/455815601.db2.gz SJZJRTORYXMECC-NVXWUHKLSA-N 1 1 348.512 3.090 40 0 EGABMO Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)n1 ZINC000253429576 455847517 /nfs/dbraw/zinc/84/75/17/455847517.db2.gz FGCMLGNAHWRCKE-ZDUSSCGKSA-N 1 1 334.851 3.415 40 0 EGABMO C[C@@H]1CN(C(=O)Nc2ccc(C3CCC3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000253433586 455849560 /nfs/dbraw/zinc/84/95/60/455849560.db2.gz YYIXGVCVMZXCCP-BEFAXECRSA-N 1 1 343.471 3.139 40 0 EGABMO Cc1cccnc1Nc1nccnc1C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000257284803 455883160 /nfs/dbraw/zinc/88/31/60/455883160.db2.gz PEJQUHATHSRZIP-UHFFFAOYSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1nc(C[N@@H+]2CCOC[C@H](Cc3ccc4n[nH]cc4c3)C2)cs1 ZINC000257294311 455884993 /nfs/dbraw/zinc/88/49/93/455884993.db2.gz QTNHCOGUISOAJN-OAHLLOKOSA-N 1 1 342.468 3.019 40 0 EGABMO Cc1nc(C[N@H+]2CCOC[C@H](Cc3ccc4n[nH]cc4c3)C2)cs1 ZINC000257294311 455884998 /nfs/dbraw/zinc/88/49/98/455884998.db2.gz QTNHCOGUISOAJN-OAHLLOKOSA-N 1 1 342.468 3.019 40 0 EGABMO C[N@H+](Cc1ncccc1F)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257312268 455889680 /nfs/dbraw/zinc/88/96/80/455889680.db2.gz UNCPYIZDMBMKOE-QYZOEREBSA-N 1 1 330.403 3.014 40 0 EGABMO C[N@@H+](Cc1ncccc1F)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257312268 455889685 /nfs/dbraw/zinc/88/96/85/455889685.db2.gz UNCPYIZDMBMKOE-QYZOEREBSA-N 1 1 330.403 3.014 40 0 EGABMO CNc1nccc([C@H]2CCCC[N@@H+]2Cc2ccc(OC)c(OC)c2)n1 ZINC000257340993 455896156 /nfs/dbraw/zinc/89/61/56/455896156.db2.gz ZIKGWIMRRZXZDB-MRXNPFEDSA-N 1 1 342.443 3.263 40 0 EGABMO CNc1nccc([C@H]2CCCC[N@H+]2Cc2ccc(OC)c(OC)c2)n1 ZINC000257340993 455896159 /nfs/dbraw/zinc/89/61/59/455896159.db2.gz ZIKGWIMRRZXZDB-MRXNPFEDSA-N 1 1 342.443 3.263 40 0 EGABMO COc1cccc([C@H]2[C@@H](NC(=O)N(C)C(C)C)CC[N@H+]2C2CC2)c1 ZINC000195555474 455985097 /nfs/dbraw/zinc/98/50/97/455985097.db2.gz RONXRPOSVLNUOV-ROUUACIJSA-N 1 1 331.460 3.023 40 0 EGABMO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cn(C)nc3C3CCCCC3)[C@@H]2C1 ZINC000195560433 455985233 /nfs/dbraw/zinc/98/52/33/455985233.db2.gz CMVOLGWXUAMPKQ-GUDVDZBRSA-N 1 1 347.503 3.236 40 0 EGABMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cn(C)nc3C3CCCCC3)[C@@H]2C1 ZINC000195560433 455985236 /nfs/dbraw/zinc/98/52/36/455985236.db2.gz CMVOLGWXUAMPKQ-GUDVDZBRSA-N 1 1 347.503 3.236 40 0 EGABMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000195562032 455985520 /nfs/dbraw/zinc/98/55/20/455985520.db2.gz CFERQOTZURSPBJ-RHSMWYFYSA-N 1 1 337.423 3.265 40 0 EGABMO CCCc1ccc(OCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000225195927 456074285 /nfs/dbraw/zinc/07/42/85/456074285.db2.gz RDEOVJNSMQANJA-HXUWFJFHSA-N 1 1 340.467 3.437 40 0 EGABMO C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H](C)N1CC[C@@H]1CCCCO1 ZINC000225411887 456081551 /nfs/dbraw/zinc/08/15/51/456081551.db2.gz UIMCRFFZMZMAPL-WCIQWLHISA-N 1 1 338.536 3.299 40 0 EGABMO C[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H](C)[N@H+]1CC[C@@H]1CCCCO1 ZINC000225411887 456081558 /nfs/dbraw/zinc/08/15/58/456081558.db2.gz UIMCRFFZMZMAPL-WCIQWLHISA-N 1 1 338.536 3.299 40 0 EGABMO C[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H](C)[N@@H+]1CC[C@@H]1CCCCO1 ZINC000225411887 456081563 /nfs/dbraw/zinc/08/15/63/456081563.db2.gz UIMCRFFZMZMAPL-WCIQWLHISA-N 1 1 338.536 3.299 40 0 EGABMO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)[C@H](C)C2 ZINC000230306299 456136435 /nfs/dbraw/zinc/13/64/35/456136435.db2.gz NMWRACKFUNUYRX-LLGFUMIMSA-N 1 1 328.500 3.319 40 0 EGABMO c1cc2n(c1)C[C@H](CCNc1ccccn1)C[N@@H+](Cc1ccncc1)C2 ZINC000585095462 459822240 /nfs/dbraw/zinc/82/22/40/459822240.db2.gz RSZFHLDJMKKJPL-LJQANCHMSA-N 1 1 347.466 3.412 40 0 EGABMO c1cc2n(c1)C[C@H](CCNc1ccccn1)C[N@H+](Cc1ccncc1)C2 ZINC000585095462 459822243 /nfs/dbraw/zinc/82/22/43/459822243.db2.gz RSZFHLDJMKKJPL-LJQANCHMSA-N 1 1 347.466 3.412 40 0 EGABMO Cc1nc(C)c(C[N@H+]2CCC[C@@]3(CCC(=O)N3CCF)CC2)s1 ZINC000585100587 459823127 /nfs/dbraw/zinc/82/31/27/459823127.db2.gz OUFFAQAEDOICGQ-QGZVFWFLSA-N 1 1 339.480 3.077 40 0 EGABMO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)n1 ZINC000585104617 459824022 /nfs/dbraw/zinc/82/40/22/459824022.db2.gz JMYURRRRXBNENY-GOSISDBHSA-N 1 1 341.480 3.062 40 0 EGABMO CCCC(CCC)[N@H+]1CCOC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585287847 459833335 /nfs/dbraw/zinc/83/33/35/459833335.db2.gz TUTMADXBZORMRE-LJQANCHMSA-N 1 1 339.451 3.237 40 0 EGABMO Cc1ccccc1OC[C@]1(O)COCC[N@H+](C2CCC(C)(C)CC2)C1 ZINC000585287801 459833623 /nfs/dbraw/zinc/83/36/23/459833623.db2.gz SCVJYECPEHKRKU-OAQYLSRUSA-N 1 1 347.499 3.406 40 0 EGABMO Cc1cccc(C[N@H+]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1 ZINC000019234951 524408404 /nfs/dbraw/zinc/40/84/04/524408404.db2.gz HXSYKEJYMWBQLF-INIZCTEOSA-N 1 1 335.411 3.133 40 0 EGABMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCc2ccccc21 ZINC000104263804 219367173 /nfs/dbraw/zinc/36/71/73/219367173.db2.gz BEYLGMVMKIKXMS-CTNGQTDRSA-N 1 1 334.463 3.497 40 0 EGABMO CCOc1ccc(-c2nc(C[NH+]3CCC(O)CC3)cs2)cc1OC ZINC000069245565 215371948 /nfs/dbraw/zinc/37/19/48/215371948.db2.gz QHGPVZBQRSKCFU-UHFFFAOYSA-N 1 1 348.468 3.174 40 0 EGABMO COc1ccc(COC[C@@H](O)C[N@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000037458329 213148389 /nfs/dbraw/zinc/14/83/89/213148389.db2.gz JTPCBFNAABBCTR-ZBFHGGJFSA-N 1 1 347.480 3.254 40 0 EGABMO CCOc1c(Cl)cc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1OC ZINC000072324689 216151430 /nfs/dbraw/zinc/15/14/30/216151430.db2.gz KZURJJCKLMCGII-UKRRQHHQSA-N 1 1 338.879 3.416 40 0 EGABMO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)ncc1C(=O)N(C)C ZINC000072345471 216159411 /nfs/dbraw/zinc/15/94/11/216159411.db2.gz MVQLXSSIGIMGKG-SFHVURJKSA-N 1 1 338.455 3.214 40 0 EGABMO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccccc2)ncc1C(=O)N(C)C ZINC000072345471 216159414 /nfs/dbraw/zinc/15/94/14/216159414.db2.gz MVQLXSSIGIMGKG-SFHVURJKSA-N 1 1 338.455 3.214 40 0 EGABMO Cc1cccc(C[N@H+]2CCC[C@@H]2c2cc(CCC(N)=O)cc(C)n2)c1 ZINC000072367127 216172437 /nfs/dbraw/zinc/17/24/37/216172437.db2.gz KNCNEYSBCHNFAX-HXUWFJFHSA-N 1 1 337.467 3.453 40 0 EGABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072379053 216181053 /nfs/dbraw/zinc/18/10/53/216181053.db2.gz YSFTUYYNDGVBFN-QGZVFWFLSA-N 1 1 333.439 3.350 40 0 EGABMO COc1ccc(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000230192444 242247522 /nfs/dbraw/zinc/24/75/22/242247522.db2.gz QNVQELPUXOIYMT-LZLYRXPVSA-N 1 1 345.487 3.190 40 0 EGABMO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000257200560 244116721 /nfs/dbraw/zinc/11/67/21/244116721.db2.gz ADUGZBWIGODWDW-ZDUSSCGKSA-N 1 1 340.456 3.011 40 0 EGABMO Cn1cncc1-c1cccc([C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257214332 244160869 /nfs/dbraw/zinc/16/08/69/244160869.db2.gz CLPYEBBAHFLUGU-AWEZNQCLSA-N 1 1 339.468 3.318 40 0 EGABMO Cn1cncc1-c1cccc([C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257214332 244160873 /nfs/dbraw/zinc/16/08/73/244160873.db2.gz CLPYEBBAHFLUGU-AWEZNQCLSA-N 1 1 339.468 3.318 40 0 EGABMO c1cc2c(cccc2C[C@H]2COCC[N@H+](CC3CCOCC3)C2)o1 ZINC000257242008 244247610 /nfs/dbraw/zinc/24/76/10/244247610.db2.gz IAPYUQKZJNQIMX-QGZVFWFLSA-N 1 1 329.440 3.350 40 0 EGABMO CC[N@H+](Cc1ccncc1)Cc1cnc([C@@]2(C)CCCCO2)nc1 ZINC000257252714 244273152 /nfs/dbraw/zinc/27/31/52/244273152.db2.gz JVVLWOOEUQXZBV-LJQANCHMSA-N 1 1 326.444 3.309 40 0 EGABMO CC[N@@H+](Cc1ccncc1)Cc1cnc([C@@]2(C)CCCCO2)nc1 ZINC000257252714 244273160 /nfs/dbraw/zinc/27/31/60/244273160.db2.gz JVVLWOOEUQXZBV-LJQANCHMSA-N 1 1 326.444 3.309 40 0 EGABMO O=C(c1cccs1)N1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC000019369727 212023029 /nfs/dbraw/zinc/02/30/29/212023029.db2.gz NXISYNJBQRVTDV-UHFFFAOYSA-N 1 1 326.465 3.238 40 0 EGABMO Cc1ncccc1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000078152643 217026639 /nfs/dbraw/zinc/02/66/39/217026639.db2.gz FLYQQHIWEMBVTA-GJZGRUSLSA-N 1 1 339.439 3.252 40 0 EGABMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2cccnc2)CC1 ZINC000078553371 217074736 /nfs/dbraw/zinc/07/47/36/217074736.db2.gz YEOKPVFJLSAFMU-INIZCTEOSA-N 1 1 342.462 3.213 40 0 EGABMO C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000080086826 217278139 /nfs/dbraw/zinc/27/81/39/217278139.db2.gz OWQNMEZCTUYOIS-GJZGRUSLSA-N 1 1 346.446 3.168 40 0 EGABMO O=C(c1cccs1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000264197869 246169925 /nfs/dbraw/zinc/16/99/25/246169925.db2.gz PSJSRCSWNWJNLC-UHFFFAOYSA-N 1 1 326.465 3.411 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119072 211298085 /nfs/dbraw/zinc/29/80/85/211298085.db2.gz BGUAKEYCZGWPIG-INIZCTEOSA-N 1 1 338.407 3.440 40 0 EGABMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000092101834 218119218 /nfs/dbraw/zinc/11/92/18/218119218.db2.gz RPAWJIGAGCQHJT-CYBMUJFWSA-N 1 1 346.805 3.242 40 0 EGABMO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2)c1C ZINC000010340038 211167133 /nfs/dbraw/zinc/16/71/33/211167133.db2.gz GHEKDWLCNHJSDP-INIZCTEOSA-N 1 1 340.423 3.438 40 0 EGABMO CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000093335255 218215174 /nfs/dbraw/zinc/21/51/74/218215174.db2.gz APIUTRYYNGYGRL-MRXNPFEDSA-N 1 1 328.412 3.084 40 0 EGABMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CC2CCSCC2)C1 ZINC000095417001 218356779 /nfs/dbraw/zinc/35/67/79/218356779.db2.gz ZYPNJWXWCYLFHU-SFHVURJKSA-N 1 1 332.513 3.253 40 0 EGABMO C[C@](O)(CNC1CC[NH+](CCc2ccccc2)CC1)c1ccsc1 ZINC000095423043 218364728 /nfs/dbraw/zinc/36/47/28/218364728.db2.gz AKIUXOLKOYKSIB-FQEVSTJZSA-N 1 1 344.524 3.252 40 0 EGABMO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(N2CCCC2=O)cc1 ZINC000095423558 218365820 /nfs/dbraw/zinc/36/58/20/218365820.db2.gz BVXZFQDYLNRGDZ-ZDUSSCGKSA-N 1 1 344.484 3.187 40 0 EGABMO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1cccs1)CC2 ZINC000096051771 218542631 /nfs/dbraw/zinc/54/26/31/218542631.db2.gz FZPDXWQUJUYSKP-HNNXBMFYSA-N 1 1 336.501 3.100 40 0 EGABMO COc1ccc2oc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)c(C)c2c1 ZINC000006608952 210663025 /nfs/dbraw/zinc/66/30/25/210663025.db2.gz JFNUZJIZKKZGML-HNNXBMFYSA-N 1 1 342.395 3.376 40 0 EGABMO Cc1csc(CN2CCC3(CC[C@H](COCC4CC4)[N@@H+]3C)CC2)n1 ZINC000096208747 218683927 /nfs/dbraw/zinc/68/39/27/218683927.db2.gz LUZUGRCUUNGPLV-QGZVFWFLSA-N 1 1 349.544 3.307 40 0 EGABMO CCc1onc(C)c1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000119282647 221284432 /nfs/dbraw/zinc/28/44/32/221284432.db2.gz YUHVTNHFIVRUPX-XJKSGUPXSA-N 1 1 342.443 3.187 40 0 EGABMO CC(=O)N1CCCc2cc([C@H](O)C[N@H+](C)Cc3ccccc3)ccc21 ZINC000036741195 132392810 /nfs/dbraw/zinc/39/28/10/132392810.db2.gz BYWIDFVDPXZISY-OAQYLSRUSA-N 1 1 338.451 3.151 40 0 EGABMO COc1ccc2c(c1OC)-c1c3c(cc4c1[C@@H](C2)[N@H+](C)CC4)OCO3 ZINC000001707691 274140862 /nfs/dbraw/zinc/14/08/62/274140862.db2.gz GDVPELGSXTWKDA-CYBMUJFWSA-N 1 1 339.391 3.185 40 0 biogenic,in-vitro EGABMO COc1ccc2c(c1OC)-c1c3c(cc4c1[C@@H](C2)[N@@H+](C)CC4)OCO3 ZINC000001707691 274140864 /nfs/dbraw/zinc/14/08/64/274140864.db2.gz GDVPELGSXTWKDA-CYBMUJFWSA-N 1 1 339.391 3.185 40 0 biogenic,in-vitro EGABMO c1csc(CN2CCO[C@]3(CCC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC000096074946 275074761 /nfs/dbraw/zinc/07/47/61/275074761.db2.gz ZJNGWVDGBZDTFY-IBGZPJMESA-N 1 1 343.496 3.010 40 0 EGABMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1ccccc1 ZINC000096061670 279395730 /nfs/dbraw/zinc/39/57/30/279395730.db2.gz TUDPMEBJFIZJEP-MOPGFXCFSA-N 1 1 326.440 3.446 40 0 EGABMO C[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CCN1c1nc2ccccc2o1 ZINC000535086068 314026042 /nfs/dbraw/zinc/02/60/42/314026042.db2.gz XVCWORQDXZUMCO-AWEZNQCLSA-N 1 1 347.422 3.415 40 0 EGABMO CCN(C(=O)Nc1ccncc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000097096232 323214691 /nfs/dbraw/zinc/21/46/91/323214691.db2.gz GBCWCJGPWLSZRV-MRXNPFEDSA-N 1 1 342.418 3.349 40 0 EGABMO O=C(CCc1cncc(F)c1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000097102291 323214717 /nfs/dbraw/zinc/21/47/17/323214717.db2.gz LYHLFOMCWQWRNA-SFHVURJKSA-N 1 1 339.414 3.165 40 0 EGABMO COc1cccc([C@@H]2[C@@H](NC(=O)N(C)C(C)C)CC[N@H+]2C2CC2)c1 ZINC000097234655 323215278 /nfs/dbraw/zinc/21/52/78/323215278.db2.gz RONXRPOSVLNUOV-ZWKOTPCHSA-N 1 1 331.460 3.023 40 0 EGABMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000119479788 323216589 /nfs/dbraw/zinc/21/65/89/323216589.db2.gz MJBWKJGZBBBVHL-RDFMZFSFSA-N 1 1 348.443 3.179 40 0 EGABMO CC1(C)CCC[N@H+]1CCOC(=O)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000002011873 452682632 /nfs/dbraw/zinc/68/26/32/452682632.db2.gz OZMLXLPGCQFBKZ-OAQYLSRUSA-N 1 1 345.483 3.482 40 0 EGABMO COc1cc(OC)c(C(=O)CCC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000002016061 452683578 /nfs/dbraw/zinc/68/35/78/452683578.db2.gz KMXVFCRYIUCLRS-CQSZACIVSA-N 1 1 335.444 3.407 40 0 in-man EGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccccc1C ZINC000010544233 453295404 /nfs/dbraw/zinc/29/54/04/453295404.db2.gz GQCQGALMXPLVPU-SFHVURJKSA-N 1 1 338.517 3.069 40 0 EGABMO O=C1N[C@]2(CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)Nc2ccccc21 ZINC000012086058 453344481 /nfs/dbraw/zinc/34/44/81/453344481.db2.gz PURXELHQIVUYIF-MDKPJZGXSA-N 1 1 333.435 3.080 40 0 EGABMO O[C@H](C[N@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000012251842 453352274 /nfs/dbraw/zinc/35/22/74/453352274.db2.gz FEYIPQUQFKKAGF-UXHICEINSA-N 1 1 347.405 3.372 40 0 EGABMO Cc1cccc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000013569029 453471776 /nfs/dbraw/zinc/47/17/76/453471776.db2.gz XWLWWCXOAWUIFK-UHFFFAOYSA-N 1 1 339.483 3.115 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1cccc(C)c1 ZINC000013632103 453476563 /nfs/dbraw/zinc/47/65/63/453476563.db2.gz GOBTYRVSKNMOGR-GOSISDBHSA-N 1 1 338.517 3.069 40 0 EGABMO COc1ccc(C[N@@H+](Cc2cccnc2)C[C@@H]2CCCO2)cc1OC ZINC000013994131 453495747 /nfs/dbraw/zinc/49/57/47/453495747.db2.gz VVOOJMFJHMSBLZ-SFHVURJKSA-N 1 1 342.439 3.280 40 0 EGABMO COc1ccc(C[N@H+](Cc2cccnc2)C[C@@H]2CCCO2)cc1OC ZINC000013994131 453495753 /nfs/dbraw/zinc/49/57/53/453495753.db2.gz VVOOJMFJHMSBLZ-SFHVURJKSA-N 1 1 342.439 3.280 40 0 EGABMO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@H+]2Cc1c[nH]nc1C(C)(C)C ZINC000019712327 453658982 /nfs/dbraw/zinc/65/89/82/453658982.db2.gz SBWVLPXNGSNUCH-DLBZAZTESA-N 1 1 332.492 3.073 40 0 EGABMO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+]([C@@H]1CC(=O)N(c3ccc(F)cc3)C1=O)C2 ZINC000019973446 453660797 /nfs/dbraw/zinc/66/07/97/453660797.db2.gz RDGHEVPKBFRRFQ-JXXFODFXSA-N 1 1 344.430 3.358 40 0 EGABMO C[NH+](C)[C@@H](CNC(=O)CCC(=O)c1cccs1)c1cccc(F)c1 ZINC000027591701 453819328 /nfs/dbraw/zinc/81/93/28/453819328.db2.gz KJXRHNVHYXRYNG-HNNXBMFYSA-N 1 1 348.443 3.269 40 0 EGABMO CC[C@H](CNC(=O)c1cccc(OC)c1)[N@H+]1CCc2ccccc2C1 ZINC000029909222 453832592 /nfs/dbraw/zinc/83/25/92/453832592.db2.gz HMRSOEDWUHJEBK-LJQANCHMSA-N 1 1 338.451 3.262 40 0 EGABMO COc1ccccc1CCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030029374 453833593 /nfs/dbraw/zinc/83/35/93/453833593.db2.gz WIJNTWXAWLGDJQ-LJQANCHMSA-N 1 1 338.451 3.143 40 0 EGABMO COc1ccccc1CCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030029374 453833594 /nfs/dbraw/zinc/83/35/94/453833594.db2.gz WIJNTWXAWLGDJQ-LJQANCHMSA-N 1 1 338.451 3.143 40 0 EGABMO CC[C@H](CNC(=O)c1ccccc1OC)[N@H+]1CCc2ccccc2C1 ZINC000032445808 453873193 /nfs/dbraw/zinc/87/31/93/453873193.db2.gz BMVUFHVDSSIFHR-GOSISDBHSA-N 1 1 338.451 3.262 40 0 EGABMO Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)CCOc2ccccc2C)cc1 ZINC000032806035 453891849 /nfs/dbraw/zinc/89/18/49/453891849.db2.gz IEUVBZHORBOXPQ-SFHVURJKSA-N 1 1 340.467 3.319 40 0 EGABMO COc1ccc([C@H](CO)[N@@H+](C)C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000075742406 453923764 /nfs/dbraw/zinc/92/37/64/453923764.db2.gz YVOCTSKKMBDQMR-ZWKOTPCHSA-N 1 1 335.831 3.047 40 0 EGABMO Cc1cnc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)s1 ZINC000075995873 453945997 /nfs/dbraw/zinc/94/59/97/453945997.db2.gz WTHWNSOUURFBHL-UHFFFAOYSA-N 1 1 344.484 3.410 40 0 EGABMO Cc1cc(Cl)ccc1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000076329935 453989518 /nfs/dbraw/zinc/98/95/18/453989518.db2.gz FLWYAAQZEHSVJX-OAHLLOKOSA-N 1 1 339.867 3.007 40 0 EGABMO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1-n1cccn1 ZINC000095407518 454204823 /nfs/dbraw/zinc/20/48/23/454204823.db2.gz YPMPIOSOLHPEEV-HNNXBMFYSA-N 1 1 336.443 3.041 40 0 EGABMO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(C)c3)[nH]2)cc1OC ZINC000095534315 454230336 /nfs/dbraw/zinc/23/03/36/454230336.db2.gz FVFNIPZXOKIMJB-QGZVFWFLSA-N 1 1 338.411 3.236 40 0 EGABMO Cc1ccc([C@H]([NH3+])c2nc(-c3ccc(Br)o3)n[nH]2)cc1 ZINC000095534180 454230366 /nfs/dbraw/zinc/23/03/66/454230366.db2.gz JVDHDIHIHTUGDD-LBPRGKRZSA-N 1 1 333.189 3.184 40 0 EGABMO c1coc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)c1 ZINC000096039973 454266123 /nfs/dbraw/zinc/26/61/23/454266123.db2.gz PZFFVFBULXQDBU-RTBURBONSA-N 1 1 328.412 3.125 40 0 EGABMO Fc1ccc(C[N@H+]2C[C@@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)cc1 ZINC000096042511 454268427 /nfs/dbraw/zinc/26/84/27/454268427.db2.gz JNRIQASLXWYYBN-AQNXPRMDSA-N 1 1 342.414 3.169 40 0 EGABMO Fc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047642 454270182 /nfs/dbraw/zinc/27/01/82/454270182.db2.gz VFYGVLVBNRIIJU-VQIMIIECSA-N 1 1 345.393 3.205 40 0 EGABMO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4csc(C)n4)C3)CC2=O)s1 ZINC000096050870 454272751 /nfs/dbraw/zinc/27/27/51/454272751.db2.gz CMGOKNIKHBNDBO-QGZVFWFLSA-N 1 1 347.509 3.450 40 0 EGABMO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4csc(C)n4)C3)CC2=O)s1 ZINC000096050870 454272754 /nfs/dbraw/zinc/27/27/54/454272754.db2.gz CMGOKNIKHBNDBO-QGZVFWFLSA-N 1 1 347.509 3.450 40 0 EGABMO Cc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4nccs4)C3)C2=O)c1 ZINC000096050567 454273037 /nfs/dbraw/zinc/27/30/37/454273037.db2.gz MBISJWLHZXUBSE-IBGZPJMESA-N 1 1 341.480 3.076 40 0 EGABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)s1 ZINC000096057968 454275170 /nfs/dbraw/zinc/27/51/70/454275170.db2.gz FFLYNJMGAYWQOT-RCCFBDPRSA-N 1 1 330.453 3.262 40 0 EGABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)s1 ZINC000096057968 454275174 /nfs/dbraw/zinc/27/51/74/454275174.db2.gz FFLYNJMGAYWQOT-RCCFBDPRSA-N 1 1 330.453 3.262 40 0 EGABMO CCOC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2cn(CC)nc21 ZINC000096059914 454275834 /nfs/dbraw/zinc/27/58/34/454275834.db2.gz NDWRFMVRHJOAJX-KRWDZBQOSA-N 1 1 329.444 3.048 40 0 EGABMO CCOC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2cn(CC)nc21 ZINC000096059914 454275836 /nfs/dbraw/zinc/27/58/36/454275836.db2.gz NDWRFMVRHJOAJX-KRWDZBQOSA-N 1 1 329.444 3.048 40 0 EGABMO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](Cc1cccs1)C2 ZINC000096059929 454276640 /nfs/dbraw/zinc/27/66/40/454276640.db2.gz KAFYIKONPDXPMD-MRXNPFEDSA-N 1 1 331.485 3.491 40 0 EGABMO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@H+](Cc1cccs1)C2 ZINC000096059929 454276645 /nfs/dbraw/zinc/27/66/45/454276645.db2.gz KAFYIKONPDXPMD-MRXNPFEDSA-N 1 1 331.485 3.491 40 0 EGABMO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](Cc1cccs1)C2 ZINC000096059928 454276814 /nfs/dbraw/zinc/27/68/14/454276814.db2.gz KAFYIKONPDXPMD-INIZCTEOSA-N 1 1 331.485 3.491 40 0 EGABMO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](Cc1cccs1)C2 ZINC000096059928 454276818 /nfs/dbraw/zinc/27/68/18/454276818.db2.gz KAFYIKONPDXPMD-INIZCTEOSA-N 1 1 331.485 3.491 40 0 EGABMO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccs1)C2 ZINC000096058498 454276872 /nfs/dbraw/zinc/27/68/72/454276872.db2.gz XSVAPENLZWNIQM-BBRMVZONSA-N 1 1 330.428 3.234 40 0 EGABMO [NH3+][C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072228242 454276927 /nfs/dbraw/zinc/27/69/27/454276927.db2.gz AFMMJESWPWQSPQ-LSDHHAIUSA-N 1 1 338.304 3.255 40 0 EGABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)co1 ZINC000096065137 454279047 /nfs/dbraw/zinc/27/90/47/454279047.db2.gz LWRLQBVZLISGFY-VQTJNVASSA-N 1 1 342.439 3.263 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2CN(C(=O)C3CCCCC3)C[C@H]2C1 ZINC000096081451 454279439 /nfs/dbraw/zinc/27/94/39/454279439.db2.gz CDNPBMJEFFXOIG-ZWKOTPCHSA-N 1 1 345.487 3.152 40 0 EGABMO C[C@@H]1c2ncc(COCc3cccnc3)n2CC[N@@H+]1C1CCCC1 ZINC000096109862 454286326 /nfs/dbraw/zinc/28/63/26/454286326.db2.gz KWKJQMPEVGMFOA-OAHLLOKOSA-N 1 1 326.444 3.314 40 0 EGABMO C[C@@H]1c2ncc(COCc3cccnc3)n2CC[N@H+]1C1CCCC1 ZINC000096109862 454286331 /nfs/dbraw/zinc/28/63/31/454286331.db2.gz KWKJQMPEVGMFOA-OAHLLOKOSA-N 1 1 326.444 3.314 40 0 EGABMO Fc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3F)nc2c1 ZINC000096112215 454286998 /nfs/dbraw/zinc/28/69/98/454286998.db2.gz PLEJKABOINCQQQ-QAPCUYQASA-N 1 1 343.377 3.441 40 0 biogenic,in-vitro EGABMO Fc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3F)nc2c1 ZINC000096112215 454287004 /nfs/dbraw/zinc/28/70/04/454287004.db2.gz PLEJKABOINCQQQ-QAPCUYQASA-N 1 1 343.377 3.441 40 0 biogenic,in-vitro EGABMO Cc1cc(Nc2ccccn2)nc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072360054 454294465 /nfs/dbraw/zinc/29/44/65/454294465.db2.gz KPQZNBOMGHAGRX-MRXNPFEDSA-N 1 1 339.443 3.240 40 0 EGABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1coc2ccc(Cl)cc2c1=O ZINC000072324639 454294963 /nfs/dbraw/zinc/29/49/63/454294963.db2.gz CLYIEFQKKICHAM-IUODEOHRSA-N 1 1 332.831 3.115 40 0 EGABMO c1csc(C[N@@H+]2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)c1 ZINC000096186159 454300225 /nfs/dbraw/zinc/30/02/25/454300225.db2.gz NUWAYRMGHUSRBV-WDSOQIARSA-N 1 1 344.480 3.482 40 0 EGABMO COCCO[C@@H]1CC[N@@H+](Cc2csc(C)n2)[C@H]1Cc1ccccc1 ZINC000096200074 454302299 /nfs/dbraw/zinc/30/22/99/454302299.db2.gz ONUPKKHBLMAAQB-RBUKOAKNSA-N 1 1 346.496 3.300 40 0 EGABMO C[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(=O)c1cccs1)CC2 ZINC000096208207 454304207 /nfs/dbraw/zinc/30/42/07/454304207.db2.gz OSZQWHIPGHVDDK-INIZCTEOSA-N 1 1 348.512 3.101 40 0 EGABMO CC(C)[N@@H+](C)C[C@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)CO1 ZINC000096224953 454309581 /nfs/dbraw/zinc/30/95/81/454309581.db2.gz MEKAHFGRVHXPER-LJQANCHMSA-N 1 1 344.499 3.428 40 0 EGABMO FC1(F)CC[N@@H+](Cc2ccncc2)C[C@]12CCN(c1cccnc1)C2 ZINC000096239578 454309907 /nfs/dbraw/zinc/30/99/07/454309907.db2.gz CGPTZCOOEZDYAZ-SFHVURJKSA-N 1 1 344.409 3.214 40 0 EGABMO c1ccc2c(c1)C[N@H+](CC1CC1)CC21CCN(c2cnccn2)CC1 ZINC000096242563 454311905 /nfs/dbraw/zinc/31/19/05/454311905.db2.gz ZPXDWYQIJLABKH-UHFFFAOYSA-N 1 1 334.467 3.240 40 0 EGABMO O=c1[nH]c(CC[N@H+](Cc2cccc(O)c2)CC2CC2)nc2ccccc21 ZINC000096405949 454324345 /nfs/dbraw/zinc/32/43/45/454324345.db2.gz VJSJSPJYLRVFEE-UHFFFAOYSA-N 1 1 349.434 3.083 40 0 EGABMO CC(C)c1nn(C)c(Cl)c1C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000096423590 454337687 /nfs/dbraw/zinc/33/76/87/454337687.db2.gz XRBVGEWNFAZWEN-CYBMUJFWSA-N 1 1 340.899 3.049 40 0 EGABMO C[C@H](c1ccco1)N(C)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096427126 454340160 /nfs/dbraw/zinc/34/01/60/454340160.db2.gz SVRGBMDXUZJOFI-AEFFLSMTSA-N 1 1 342.439 3.090 40 0 EGABMO C[C@H](c1ccco1)N(C)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096427126 454340166 /nfs/dbraw/zinc/34/01/66/454340166.db2.gz SVRGBMDXUZJOFI-AEFFLSMTSA-N 1 1 342.439 3.090 40 0 EGABMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccs1 ZINC000096432959 454343483 /nfs/dbraw/zinc/34/34/83/454343483.db2.gz SHCZGKCBHFTESB-KRWDZBQOSA-N 1 1 328.481 3.271 40 0 EGABMO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc(N3CCCC3)c2)CC[N@H+]1C ZINC000096434433 454345592 /nfs/dbraw/zinc/34/55/92/454345592.db2.gz NAAWBLWANQAWPT-WMLDXEAASA-N 1 1 348.466 3.372 40 0 EGABMO COc1c(Cl)cccc1NC(=O)NCCCCn1cc[nH+]c1C ZINC000096434289 454345639 /nfs/dbraw/zinc/34/56/39/454345639.db2.gz QEMDHTRLXDWXHW-UHFFFAOYSA-N 1 1 336.823 3.455 40 0 EGABMO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000096478605 454363889 /nfs/dbraw/zinc/36/38/89/454363889.db2.gz GCNWWQDKSCLWCN-OLZOCXBDSA-N 1 1 341.390 3.222 40 0 EGABMO CS[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485945 454367036 /nfs/dbraw/zinc/36/70/36/454367036.db2.gz RFDGLBVFWXPHQO-JVLSTEMRSA-N 1 1 344.883 3.340 40 0 EGABMO OC[C@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000096497153 454370696 /nfs/dbraw/zinc/37/06/96/454370696.db2.gz FYTOSRYLOGUUKG-LBPRGKRZSA-N 1 1 335.245 3.202 40 0 EGABMO C[C@H](NC(=O)N(c1ccccc1)c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000096501216 454372095 /nfs/dbraw/zinc/37/20/95/454372095.db2.gz VDRREARQFKBANC-LPHOPBHVSA-N 1 1 339.439 3.253 40 0 EGABMO C[C@H](NC(=O)N(c1ccccc1)c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000096501216 454372097 /nfs/dbraw/zinc/37/20/97/454372097.db2.gz VDRREARQFKBANC-LPHOPBHVSA-N 1 1 339.439 3.253 40 0 EGABMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccco4)C3)o2)cc1 ZINC000049170112 454537196 /nfs/dbraw/zinc/53/71/96/454537196.db2.gz VANYECZHGYORLO-AWEZNQCLSA-N 1 1 325.368 3.328 40 0 biogenic,in-vitro EGABMO Cc1ccc(C[C@@H](C)NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000176278958 454722042 /nfs/dbraw/zinc/72/20/42/454722042.db2.gz QIIPJSGFEZXPSQ-CZUORRHYSA-N 1 1 346.500 3.367 40 0 EGABMO O=C1N(CC2CCC2)CC[C@@]12CCC[N@@H+](Cc1ccncc1)CC2 ZINC000108528585 454801337 /nfs/dbraw/zinc/80/13/37/454801337.db2.gz MRGNBDJYCHKBPJ-FQEVSTJZSA-N 1 1 327.472 3.086 40 0 EGABMO Cc1cccc(C[NH+]2CC3(C2)OCC[C@H]3COCc2ccncc2)c1 ZINC000247939518 455657786 /nfs/dbraw/zinc/65/77/86/455657786.db2.gz UHSFTMIBUBKCPV-FQEVSTJZSA-N 1 1 338.451 3.198 40 0 EGABMO Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)n1 ZINC000253429571 455847956 /nfs/dbraw/zinc/84/79/56/455847956.db2.gz FGCMLGNAHWRCKE-CYBMUJFWSA-N 1 1 334.851 3.415 40 0 EGABMO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000257309343 455887512 /nfs/dbraw/zinc/88/75/12/455887512.db2.gz UAOVGCNHPINPIL-CYBMUJFWSA-N 1 1 340.456 3.011 40 0 EGABMO Cc1cccn2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@@H+]4C)nc12 ZINC000257307159 455887567 /nfs/dbraw/zinc/88/75/67/455887567.db2.gz SXLMEDCWUIIEFI-PXNSSMCTSA-N 1 1 340.471 3.122 40 0 EGABMO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000257309344 455888182 /nfs/dbraw/zinc/88/81/82/455888182.db2.gz UAOVGCNHPINPIL-ZDUSSCGKSA-N 1 1 340.456 3.011 40 0 EGABMO CNc1cncc([C@H]2CCC[N@@H+]2Cc2cc3cc(OC)ccc3[nH]2)n1 ZINC000257338241 455896089 /nfs/dbraw/zinc/89/60/89/455896089.db2.gz YWOSQDALMWJARC-GOSISDBHSA-N 1 1 337.427 3.345 40 0 EGABMO CNc1cncc([C@H]2CCC[N@H+]2Cc2cc3cc(OC)ccc3[nH]2)n1 ZINC000257338241 455896095 /nfs/dbraw/zinc/89/60/95/455896095.db2.gz YWOSQDALMWJARC-GOSISDBHSA-N 1 1 337.427 3.345 40 0 EGABMO CCC(=O)N1CC[C@H](N[C@H](C[NH+]2CCC(C)CC2)c2cccs2)C1 ZINC000195560748 455985131 /nfs/dbraw/zinc/98/51/31/455985131.db2.gz REECEDYQQWGGIK-DLBZAZTESA-N 1 1 349.544 3.122 40 0 EGABMO CCCN(C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000272565529 455995345 /nfs/dbraw/zinc/99/53/45/455995345.db2.gz SPZDANOFECWWNF-SJLPKXTDSA-N 1 1 329.488 3.481 40 0 EGABMO CC[N@@H+]1CC=C(c2nn3c(nnc3-c3cccc(C)c3)s2)CC1 ZINC000226250246 456107319 /nfs/dbraw/zinc/10/73/19/456107319.db2.gz UCOQHGWHQRFBGR-UHFFFAOYSA-N 1 1 325.441 3.270 40 0 EGABMO c1coc(C[N@H+]2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 ZINC000306142533 456566882 /nfs/dbraw/zinc/56/68/82/456566882.db2.gz XCFWTVFCTJHADM-GOSISDBHSA-N 1 1 341.436 3.380 40 0 EGABMO C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](F)[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000306144663 456570295 /nfs/dbraw/zinc/57/02/95/456570295.db2.gz ZLKROWIWYVFQCQ-NOVWEMISSA-N 1 1 336.476 3.167 40 0 EGABMO COc1ccc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)nn1 ZINC000283058213 456700323 /nfs/dbraw/zinc/70/03/23/456700323.db2.gz JIKBBHOWKRPQPF-ZDUSSCGKSA-N 1 1 344.484 3.200 40 0 EGABMO Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]3C[C@H]3CCCO3)C2)c(C)c1 ZINC000585102048 459824101 /nfs/dbraw/zinc/82/41/01/459824101.db2.gz OPLGIKQLYLIBCZ-WIYYLYMNSA-N 1 1 342.483 3.163 40 0 EGABMO CC(C)CC[N@H+]1C[C@@H]2CN(c3cc(C(F)(F)F)ncn3)CC[C@H]21 ZINC000585108047 459825087 /nfs/dbraw/zinc/82/50/87/459825087.db2.gz XULICNQAFYJWBC-CHWSQXEVSA-N 1 1 328.382 3.052 40 0 EGABMO COCC[N@H+]1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2)CC1 ZINC000585113234 459826384 /nfs/dbraw/zinc/82/63/84/459826384.db2.gz OUKAIQQOWMPKJL-LJQANCHMSA-N 1 1 330.472 3.040 40 0 EGABMO C[C@H]1CCCN(C(=O)c2nc3c(o2)CC[N@H+](CC2CCCCC2)C3)C1 ZINC000585112176 459826399 /nfs/dbraw/zinc/82/63/99/459826399.db2.gz MMCPDSGRRJSAOJ-HNNXBMFYSA-N 1 1 345.487 3.485 40 0 EGABMO C[C@H]1CCCN(C(=O)c2nc3c(o2)CC[N@@H+](CC2CCCCC2)C3)C1 ZINC000585112176 459826404 /nfs/dbraw/zinc/82/64/04/459826404.db2.gz MMCPDSGRRJSAOJ-HNNXBMFYSA-N 1 1 345.487 3.485 40 0 EGABMO CC(C)n1nccc1C[N@H+]1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 ZINC000585279873 459832384 /nfs/dbraw/zinc/83/23/84/459832384.db2.gz RTPNNQWCQOAERX-VQIMIIECSA-N 1 1 331.435 3.029 40 0 EGABMO CO[C@H]1CC[N@@H+](Cc2c(C)n[nH]c2C)C[C@H]1Cc1ccccc1F ZINC000585275904 459832591 /nfs/dbraw/zinc/83/25/91/459832591.db2.gz GJZZOGDRZUWNAF-APWZRJJASA-N 1 1 331.435 3.245 40 0 EGABMO C[N@H+]1CCCC[C@H](CNC(=O)NCc2cccc3ccsc32)C1 ZINC000624293407 460947410 /nfs/dbraw/zinc/94/74/10/460947410.db2.gz HYQKTPIWKACRIX-CQSZACIVSA-N 1 1 331.485 3.432 40 0 EGABMO Cc1ccc2cc(C[N@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)ccc2n1 ZINC000187193453 534466784 /nfs/dbraw/zinc/46/67/84/534466784.db2.gz CCSPGGPLBMTPMO-GOSISDBHSA-N 1 1 347.466 3.461 40 0 EGABMO Cc1cccc(C[N@H+]2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1 ZINC000019234950 524403065 /nfs/dbraw/zinc/40/30/65/524403065.db2.gz HXSYKEJYMWBQLF-MRXNPFEDSA-N 1 1 335.411 3.133 40 0 EGABMO CNc1cnc(C[C@@H]2CCC[N@@H+](Cc3nccn3C(C)C)CC2)cn1 ZINC000257207229 536421388 /nfs/dbraw/zinc/42/13/88/536421388.db2.gz BGXXCFGLPBAYSS-MRXNPFEDSA-N 1 1 342.491 3.141 40 0 EGABMO c1cc(N2CCCC2)cn2nc([C@H]3CCC[N@H+](C4CCC4)C3)nc12 ZINC000306127345 547460026 /nfs/dbraw/zinc/46/00/26/547460026.db2.gz FWKQIEPVSUOWGQ-HNNXBMFYSA-N 1 1 325.460 3.061 40 0 EGABMO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000040159640 213275843 /nfs/dbraw/zinc/27/58/43/213275843.db2.gz LTJRGSLSFSRUNK-WFASDCNBSA-N 1 1 336.819 3.119 40 0 EGABMO COc1cc(/C=C/C(=O)NCCC[N@@H+](C)C(C)C)ccc1OC(C)C ZINC000040090693 213262273 /nfs/dbraw/zinc/26/22/73/213262273.db2.gz ILTJSTKSDZLODO-PKNBQFBNSA-N 1 1 348.487 3.342 40 0 EGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000038853804 213228587 /nfs/dbraw/zinc/22/85/87/213228587.db2.gz GPKPPDFJRGPEPK-UHFFFAOYSA-N 1 1 349.390 3.263 40 0 EGABMO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038850080 213227705 /nfs/dbraw/zinc/22/77/05/213227705.db2.gz QZQGFHOKNHJRIZ-LBPRGKRZSA-N 1 1 327.255 3.484 40 0 EGABMO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038850080 213227708 /nfs/dbraw/zinc/22/77/08/213227708.db2.gz QZQGFHOKNHJRIZ-LBPRGKRZSA-N 1 1 327.255 3.484 40 0 EGABMO COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@](O)(c3ccccn3)[C@@H]2C1 ZINC000036734777 213114996 /nfs/dbraw/zinc/11/49/96/213114996.db2.gz KEIJZPQCLZFUQA-YRISNDGFSA-N 1 1 338.451 3.128 40 0 EGABMO O=C(CC[N@H+]1CCSC2(CCOCC2)C1)c1ccc(F)cc1F ZINC000187566068 236247979 /nfs/dbraw/zinc/24/79/79/236247979.db2.gz HLHLUNXQQCDKTI-UHFFFAOYSA-N 1 1 341.423 3.136 40 0 EGABMO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccccc2)ncc1C(=O)N(C)C ZINC000072345472 216159018 /nfs/dbraw/zinc/15/90/18/216159018.db2.gz MVQLXSSIGIMGKG-GOSISDBHSA-N 1 1 338.455 3.214 40 0 EGABMO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccccc2)ncc1C(=O)N(C)C ZINC000072345472 216159022 /nfs/dbraw/zinc/15/90/22/216159022.db2.gz MVQLXSSIGIMGKG-GOSISDBHSA-N 1 1 338.455 3.214 40 0 EGABMO Cc1[nH+]ccn1-c1cccc(C2CCN(c3cc(C)ncn3)CC2)n1 ZINC000072355697 216164164 /nfs/dbraw/zinc/16/41/64/216164164.db2.gz CLKPNHVOBUNZBZ-UHFFFAOYSA-N 1 1 334.427 3.058 40 0 EGABMO CN(Cc1ccccc1)C(=O)c1cncc(C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000072369296 216176115 /nfs/dbraw/zinc/17/61/15/216176115.db2.gz HMRMMQMCTRRBNT-SFHVURJKSA-N 1 1 337.467 3.238 40 0 EGABMO Cc1cc(CCC(=O)Nc2ncccc2C)cc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072366965 216173437 /nfs/dbraw/zinc/17/34/37/216173437.db2.gz CJOONPBNDULMMY-SFHVURJKSA-N 1 1 338.455 3.431 40 0 EGABMO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CC[N@H+](C(C)C)C3)n2)n1 ZINC000072382389 216182690 /nfs/dbraw/zinc/18/26/90/216182690.db2.gz XXIVXUJICBYFMZ-OAHLLOKOSA-N 1 1 326.448 3.133 40 0 EGABMO CN(C)[C@@H]1C[N@@H+](Cc2ccc(O)cc2)C[C@H]1c1cn(C)c2ccccc12 ZINC000072395132 216192714 /nfs/dbraw/zinc/19/27/14/216192714.db2.gz RCTJOKCVNHTLBF-RBBKRZOGSA-N 1 1 349.478 3.414 40 0 EGABMO Cn1cc([C@@H]2CN(Cc3ccc(O)cc3)C[C@H]2[NH+](C)C)c2ccccc21 ZINC000072395132 216192718 /nfs/dbraw/zinc/19/27/18/216192718.db2.gz RCTJOKCVNHTLBF-RBBKRZOGSA-N 1 1 349.478 3.414 40 0 EGABMO CCn1cncc1CN(Cc1cccs1)C[C@@H]1CCC[N@H+]1CC ZINC000023247886 212363571 /nfs/dbraw/zinc/36/35/71/212363571.db2.gz YPQOSTXSFYRXDM-INIZCTEOSA-N 1 1 332.517 3.451 40 0 EGABMO C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nccs1 ZINC000195564744 241012538 /nfs/dbraw/zinc/01/25/38/241012538.db2.gz GFABNTBMLOOSDT-OFQRWUPVSA-N 1 1 344.484 3.024 40 0 EGABMO C[N@H+]1C[C@H](CNC(=O)Nc2cccc(F)c2)[C@H](c2cccs2)C1 ZINC000230134436 242237578 /nfs/dbraw/zinc/23/75/78/242237578.db2.gz FVTHARXFFOEOLI-SWLSCSKDSA-N 1 1 333.432 3.354 40 0 EGABMO CS[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245339211 243102698 /nfs/dbraw/zinc/10/26/98/243102698.db2.gz RFDGLBVFWXPHQO-GMXABZIVSA-N 1 1 344.883 3.340 40 0 EGABMO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)nc1 ZINC000257206134 244134483 /nfs/dbraw/zinc/13/44/83/244134483.db2.gz BCAFZROKBGMOOM-INIZCTEOSA-N 1 1 337.427 3.456 40 0 EGABMO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)nc1 ZINC000257206134 244134487 /nfs/dbraw/zinc/13/44/87/244134487.db2.gz BCAFZROKBGMOOM-INIZCTEOSA-N 1 1 337.427 3.456 40 0 EGABMO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)nc1 ZINC000257206134 244134496 /nfs/dbraw/zinc/13/44/96/244134496.db2.gz BCAFZROKBGMOOM-INIZCTEOSA-N 1 1 337.427 3.456 40 0 EGABMO c1ccc(CO[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@]23CCCO3)cc1 ZINC000257229401 244207406 /nfs/dbraw/zinc/20/74/06/244207406.db2.gz FXYTXKMSWQONPV-SFTDATJTSA-N 1 1 338.451 3.422 40 0 EGABMO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257234354 244222358 /nfs/dbraw/zinc/22/23/58/244222358.db2.gz GTDWKRHDNQNSTG-HNNXBMFYSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257234354 244222366 /nfs/dbraw/zinc/22/23/66/244222366.db2.gz GTDWKRHDNQNSTG-HNNXBMFYSA-N 1 1 349.442 3.026 40 0 EGABMO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000257247070 244259770 /nfs/dbraw/zinc/25/97/70/244259770.db2.gz IXGKFPJZXMIPIL-GOSISDBHSA-N 1 1 334.427 3.297 40 0 EGABMO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCC[N@H+]2Cc2cccnc2)n1 ZINC000257247070 244259774 /nfs/dbraw/zinc/25/97/74/244259774.db2.gz IXGKFPJZXMIPIL-GOSISDBHSA-N 1 1 334.427 3.297 40 0 EGABMO CNc1cccc([C@@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257269619 244374477 /nfs/dbraw/zinc/37/44/77/244374477.db2.gz MQSJFZXEUWUMNQ-IBGZPJMESA-N 1 1 334.423 3.245 40 0 EGABMO CNc1cccc([C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257269619 244374483 /nfs/dbraw/zinc/37/44/83/244374483.db2.gz MQSJFZXEUWUMNQ-IBGZPJMESA-N 1 1 334.423 3.245 40 0 EGABMO Cc1cccc2nc(C(=O)N3CCCC[C@@H]4[N@@H+](C)CCC[C@@]43C)cn21 ZINC000257263929 244354601 /nfs/dbraw/zinc/35/46/01/244354601.db2.gz LSCHUZNLPIKQJX-PXNSSMCTSA-N 1 1 340.471 3.122 40 0 EGABMO COc1ccc(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000019932850 212086484 /nfs/dbraw/zinc/08/64/84/212086484.db2.gz UTCHBCBDFOJREX-UHFFFAOYSA-N 1 1 335.407 3.048 40 0 EGABMO O=c1oc2ccc(Cl)cc2n1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019401713 212026055 /nfs/dbraw/zinc/02/60/55/212026055.db2.gz NSFGOJPOJJBCRZ-OAHLLOKOSA-N 1 1 343.814 3.480 40 0 EGABMO O=c1oc2ccc(Cl)cc2n1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019401713 212026057 /nfs/dbraw/zinc/02/60/57/212026057.db2.gz NSFGOJPOJJBCRZ-OAHLLOKOSA-N 1 1 343.814 3.480 40 0 EGABMO O=C(c1cc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)no1)N1CCCC1 ZINC000019371968 212022707 /nfs/dbraw/zinc/02/27/07/212022707.db2.gz RKDCRMBGEAYESI-KRWDZBQOSA-N 1 1 339.439 3.290 40 0 EGABMO O[C@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)C1 ZINC000049574764 214020541 /nfs/dbraw/zinc/02/05/41/214020541.db2.gz FYWXAYKYZVMEJI-FUHWJXTLSA-N 1 1 349.427 3.452 40 0 EGABMO O[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)C1 ZINC000049574764 214020545 /nfs/dbraw/zinc/02/05/45/214020545.db2.gz FYWXAYKYZVMEJI-FUHWJXTLSA-N 1 1 349.427 3.452 40 0 EGABMO Cn1nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)c2nccnc21 ZINC000019289389 212011793 /nfs/dbraw/zinc/01/17/93/212011793.db2.gz NGWSPPBADLPJNP-ZDUSSCGKSA-N 1 1 343.381 3.021 40 0 EGABMO Cn1cccc1C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019291130 212011483 /nfs/dbraw/zinc/01/14/83/212011483.db2.gz QXPFQSGTSSMXDE-OAHLLOKOSA-N 1 1 345.830 3.424 40 0 EGABMO CC(C)[N@@H+](C)CCNC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000078605017 217086078 /nfs/dbraw/zinc/08/60/78/217086078.db2.gz ZWPGBFKUCMTQRZ-GFCCVEGCSA-N 1 1 326.510 3.141 40 0 EGABMO CCn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)c(C)n1 ZINC000012325246 211349994 /nfs/dbraw/zinc/34/99/94/211349994.db2.gz OFEUCGCZESCXQV-YOFSQIOKSA-N 1 1 343.446 3.365 40 0 EGABMO CCn1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)c1C ZINC000012276754 211333294 /nfs/dbraw/zinc/33/32/94/211333294.db2.gz XYYIWYBBVJVDID-XEWABKELSA-N 1 1 343.446 3.365 40 0 EGABMO OC1(c2ccccn2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccccc1F)C2 ZINC000012135050 211301432 /nfs/dbraw/zinc/30/14/32/211301432.db2.gz KBHIDDWWSMMULC-XEWABKELSA-N 1 1 326.415 3.340 40 0 EGABMO COc1ccccc1C[N@H+]1CCC[C@@H](n2c3ccccc3oc2=O)C1 ZINC000012119111 211298331 /nfs/dbraw/zinc/29/83/31/211298331.db2.gz RWLFNUALUYGTKC-MRXNPFEDSA-N 1 1 338.407 3.440 40 0 EGABMO C[N@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@@H]1CCOC1 ZINC000093840202 218252458 /nfs/dbraw/zinc/25/24/58/218252458.db2.gz AJMFJUWBZORUFA-LBPRGKRZSA-N 1 1 338.245 3.193 40 0 EGABMO COc1cccc(/C=C/CCN2CCC[N@H+](C3CCOCC3)CC2)c1 ZINC000095408329 218344494 /nfs/dbraw/zinc/34/44/94/218344494.db2.gz IKVIOMKCSKSXIR-QHHAFSJGSA-N 1 1 344.499 3.285 40 0 EGABMO COc1cccc(/C=C/CC[N@@H+]2CCCN(C3CCOCC3)CC2)c1 ZINC000095408329 218344497 /nfs/dbraw/zinc/34/44/97/218344497.db2.gz IKVIOMKCSKSXIR-QHHAFSJGSA-N 1 1 344.499 3.285 40 0 EGABMO COc1cccc(/C=C/CC[N@H+]2CCCN(C3CCOCC3)CC2)c1 ZINC000095408329 218344500 /nfs/dbraw/zinc/34/45/00/218344500.db2.gz IKVIOMKCSKSXIR-QHHAFSJGSA-N 1 1 344.499 3.285 40 0 EGABMO COC(=O)c1ccc(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)o1 ZINC000095450312 218394894 /nfs/dbraw/zinc/39/48/94/218394894.db2.gz ZVTQISUWEKDATB-UHFFFAOYSA-N 1 1 342.395 3.290 40 0 EGABMO CC[N@H+]1CC[C@@H](SC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000005047899 210373826 /nfs/dbraw/zinc/37/38/26/210373826.db2.gz CRAZPPVOJPYVLH-GOSISDBHSA-N 1 1 341.476 3.277 40 0 EGABMO COc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000072227778 257686508 /nfs/dbraw/zinc/68/65/08/257686508.db2.gz CJJZHUWIUZMGDX-LSDHHAIUSA-N 1 1 337.206 3.417 40 0 EGABMO Cc1cc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)ccn1 ZINC000179823983 301353526 /nfs/dbraw/zinc/35/35/26/301353526.db2.gz UDBDNLUXCOQJEA-UHFFFAOYSA-N 1 1 338.455 3.348 40 0 EGABMO Cn1cc(C[C@H]2CC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)cn1 ZINC000097230919 323215163 /nfs/dbraw/zinc/21/51/63/323215163.db2.gz IPSZZWAWAUJVDK-CYBMUJFWSA-N 1 1 341.484 3.071 40 0 EGABMO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cn(C)nc3C3CCCCC3)[C@H]2C1 ZINC000097372993 323215351 /nfs/dbraw/zinc/21/53/51/323215351.db2.gz CMVOLGWXUAMPKQ-QYZOEREBSA-N 1 1 347.503 3.236 40 0 EGABMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cn(C)nc3C3CCCCC3)[C@H]2C1 ZINC000097372993 323215354 /nfs/dbraw/zinc/21/53/54/323215354.db2.gz CMVOLGWXUAMPKQ-QYZOEREBSA-N 1 1 347.503 3.236 40 0 EGABMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nccn2C)cnn1-c1ccc(F)cc1 ZINC000182671643 323568311 /nfs/dbraw/zinc/56/83/11/323568311.db2.gz BJKIWNCTJVCHQA-OLZOCXBDSA-N 1 1 327.407 3.465 40 0 EGABMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)CCOc1ccccc1 ZINC000014124343 453508960 /nfs/dbraw/zinc/50/89/60/453508960.db2.gz QDEROKRWSNPUNV-CYBMUJFWSA-N 1 1 333.819 3.073 40 0 EGABMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)CCOc1ccccc1 ZINC000014124343 453508963 /nfs/dbraw/zinc/50/89/63/453508963.db2.gz QDEROKRWSNPUNV-CYBMUJFWSA-N 1 1 333.819 3.073 40 0 EGABMO Cc1ccsc1C[N@@H+](C)CC(=O)NCCCN(C)c1ccccc1 ZINC000015312055 453567620 /nfs/dbraw/zinc/56/76/20/453567620.db2.gz NXEGBAAKKZDEHO-UHFFFAOYSA-N 1 1 345.512 3.131 40 0 EGABMO Cc1ccsc1C[N@H+](C)CC(=O)NCCCN(C)c1ccccc1 ZINC000015312055 453567626 /nfs/dbraw/zinc/56/76/26/453567626.db2.gz NXEGBAAKKZDEHO-UHFFFAOYSA-N 1 1 345.512 3.131 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000019210226 453654964 /nfs/dbraw/zinc/65/49/64/453654964.db2.gz BAQGOMLNFKFLGJ-OAQYLSRUSA-N 1 1 336.435 3.152 40 0 EGABMO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@H+]2Cc1ccncc1 ZINC000019712621 453658237 /nfs/dbraw/zinc/65/82/37/453658237.db2.gz XFFMVMUDVZJKOL-ZVDOUQERSA-N 1 1 335.451 3.108 40 0 EGABMO O=C(CC[N@@H+]1CCC[C@H]1CCCO)Nc1cccc(C(F)(F)F)c1 ZINC000083173956 453941515 /nfs/dbraw/zinc/94/15/15/453941515.db2.gz ZMIDOHWKYVFNRZ-HNNXBMFYSA-N 1 1 344.377 3.271 40 0 EGABMO Cc1cccc([C@@H]2CCCC[N@H+]2CC(=O)NC2CCOCC2)c1C ZINC000075999864 453947795 /nfs/dbraw/zinc/94/77/95/453947795.db2.gz UKRJXVTXFQYQLS-IBGZPJMESA-N 1 1 330.472 3.126 40 0 EGABMO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccccc3)[nH]2)cc1OCC ZINC000095534607 454230571 /nfs/dbraw/zinc/23/05/71/454230571.db2.gz ZDBRQMUZSKWHHJ-QGZVFWFLSA-N 1 1 338.411 3.317 40 0 EGABMO O=C1CCOC[C@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2Cc1ccccc1 ZINC000095951718 454236220 /nfs/dbraw/zinc/23/62/20/454236220.db2.gz IBYGCEXYWLDSTD-ZJOUEHCJSA-N 1 1 339.410 3.399 40 0 EGABMO O=C1CCOC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2Cc1ccccc1 ZINC000095951719 454236549 /nfs/dbraw/zinc/23/65/49/454236549.db2.gz IBYGCEXYWLDSTD-ZVDOUQERSA-N 1 1 339.410 3.399 40 0 EGABMO Cc1ccc(C[N@H+]2Cc3c(cnn3C)[C@@H](COCC3CC3)C2)s1 ZINC000096044639 454267984 /nfs/dbraw/zinc/26/79/84/454267984.db2.gz UBMJFFZKKNYPHW-OAHLLOKOSA-N 1 1 331.485 3.316 40 0 EGABMO Cc1ccc(C[N@@H+]2Cc3c(cnn3C)[C@@H](COCC3CC3)C2)s1 ZINC000096044639 454267990 /nfs/dbraw/zinc/26/79/90/454267990.db2.gz UBMJFFZKKNYPHW-OAHLLOKOSA-N 1 1 331.485 3.316 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)s1 ZINC000096047153 454269453 /nfs/dbraw/zinc/26/94/53/454269453.db2.gz QPHAXXMFGXZOMX-GOSISDBHSA-N 1 1 328.485 3.339 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(c2ncc(F)cn2)C3)s1 ZINC000096047180 454269597 /nfs/dbraw/zinc/26/95/97/454269597.db2.gz UTUSWPOXYLWIRB-SFHVURJKSA-N 1 1 346.475 3.478 40 0 EGABMO c1csc(CN2CCC3(CC2)CC[NH+](Cc2ccncc2)CC3)n1 ZINC000096047220 454269677 /nfs/dbraw/zinc/26/96/77/454269677.db2.gz KOVGNYWNQDEXLV-UHFFFAOYSA-N 1 1 342.512 3.416 40 0 EGABMO c1csc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC000096048234 454271745 /nfs/dbraw/zinc/27/17/45/454271745.db2.gz OWTUZEKXYHYKHL-AEFFLSMTSA-N 1 1 330.453 3.346 40 0 EGABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000072227930 454276760 /nfs/dbraw/zinc/27/67/60/454276760.db2.gz PHKCMROFDPQHPW-DLBZAZTESA-N 1 1 330.815 3.326 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)co1 ZINC000096065147 454278091 /nfs/dbraw/zinc/27/80/91/454278091.db2.gz QUVPMDXGNAYNCP-WOJBJXKFSA-N 1 1 342.439 3.263 40 0 EGABMO C[C@H]1c2ncc(COCc3ccccn3)n2CC[N@@H+]1C1CCCC1 ZINC000096109907 454286094 /nfs/dbraw/zinc/28/60/94/454286094.db2.gz MWCRZBHWPRKFFQ-HNNXBMFYSA-N 1 1 326.444 3.314 40 0 EGABMO C[C@H]1c2ncc(COCc3ccccn3)n2CC[N@H+]1C1CCCC1 ZINC000096109907 454286100 /nfs/dbraw/zinc/28/61/00/454286100.db2.gz MWCRZBHWPRKFFQ-HNNXBMFYSA-N 1 1 326.444 3.314 40 0 EGABMO c1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COCc3cccnc3)C2)cs1 ZINC000096110395 454286271 /nfs/dbraw/zinc/28/62/71/454286271.db2.gz FWAMKXALOIVAQZ-MOPGFXCFSA-N 1 1 344.480 3.341 40 0 EGABMO CC(C)[N@H+]1[C@H](CN2CCCC2)C[C@@H]2CN(Cc3ccoc3)CC[C@@H]21 ZINC000096185592 454300164 /nfs/dbraw/zinc/30/01/64/454300164.db2.gz BMPPEKBDOZYNHO-AABGKKOBSA-N 1 1 331.504 3.049 40 0 EGABMO CCOC[C@H]1CCC2(CCN(Cc3cc(C)on3)CC2)[N@H+]1CC1CC1 ZINC000096207773 454304069 /nfs/dbraw/zinc/30/40/69/454304069.db2.gz WADFZBPCSQZGBN-LJQANCHMSA-N 1 1 347.503 3.229 40 0 EGABMO CC[N@H+]1C[C@H](COC)[C@]2(CCN(Cc3ccc4ccccc4n3)C2)C1 ZINC000096220192 454307386 /nfs/dbraw/zinc/30/73/86/454307386.db2.gz POZAFCPGXNVRHJ-WIYYLYMNSA-N 1 1 339.483 3.025 40 0 EGABMO C[N@H+](Cc1cccnc1)C[C@@H]1CC12CCN(Cc1nccs1)CC2 ZINC000096238318 454310121 /nfs/dbraw/zinc/31/01/21/454310121.db2.gz YFOJHPXRILZTBA-KRWDZBQOSA-N 1 1 342.512 3.272 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)o1 ZINC000096244833 454311007 /nfs/dbraw/zinc/31/10/07/454311007.db2.gz CEFVYXYBTXNHLX-OAQYLSRUSA-N 1 1 336.435 3.488 40 0 EGABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1ccsc1)CC2 ZINC000096240309 454311493 /nfs/dbraw/zinc/31/14/93/454311493.db2.gz PQTPIZNALQWNTO-MRXNPFEDSA-N 1 1 336.501 3.100 40 0 EGABMO Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NCc2ccccn2)o1 ZINC000096415014 454331742 /nfs/dbraw/zinc/33/17/42/454331742.db2.gz RDUFJRULNTYVJI-QGZVFWFLSA-N 1 1 327.428 3.217 40 0 EGABMO Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NCc2ccccn2)o1 ZINC000096415014 454331747 /nfs/dbraw/zinc/33/17/47/454331747.db2.gz RDUFJRULNTYVJI-QGZVFWFLSA-N 1 1 327.428 3.217 40 0 EGABMO CC[N@H+]1CCCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)CC1 ZINC000096426459 454339426 /nfs/dbraw/zinc/33/94/26/454339426.db2.gz AGCRRWPSFMAPGT-UHFFFAOYSA-N 1 1 345.487 3.147 40 0 EGABMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccnc(Cl)c1 ZINC000096432967 454343181 /nfs/dbraw/zinc/34/31/81/454343181.db2.gz FLVYHXOOYNCOTP-INIZCTEOSA-N 1 1 343.858 3.329 40 0 EGABMO O=C(NC1CC[NH+](Cc2ccncc2Cl)CC1)c1ccccc1F ZINC000096445672 454352633 /nfs/dbraw/zinc/35/26/33/454352633.db2.gz LWTDSRAAOAPYDP-UHFFFAOYSA-N 1 1 347.821 3.269 40 0 EGABMO CC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)CC1 ZINC000096445728 454352648 /nfs/dbraw/zinc/35/26/48/454352648.db2.gz XBFRQIYYLOXVQW-INIZCTEOSA-N 1 1 335.879 3.206 40 0 EGABMO COc1cccc2cc([C@H](C)NCC3([NH+](C)C)CCOCC3)oc21 ZINC000096493399 454369931 /nfs/dbraw/zinc/36/99/31/454369931.db2.gz LBNNYCLDXONESS-AWEZNQCLSA-N 1 1 332.444 3.203 40 0 EGABMO Cc1cnccc1NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000121311919 454420609 /nfs/dbraw/zinc/42/06/09/454420609.db2.gz AJHSPVGOOBBCNX-UHFFFAOYSA-N 1 1 338.455 3.348 40 0 EGABMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C2CCCC2)C[C@H](C)O1 ZINC000048333585 454475155 /nfs/dbraw/zinc/47/51/55/454475155.db2.gz BJCFSUWECDVDTK-HOTGVXAUSA-N 1 1 330.472 3.102 40 0 EGABMO CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccc(-c3cncnc3)nc2)no1 ZINC000049155336 454535788 /nfs/dbraw/zinc/53/57/88/454535788.db2.gz JLLLNANEFVHJKR-INIZCTEOSA-N 1 1 336.399 3.134 40 0 biogenic,in-vitro EGABMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)on1 ZINC000065514740 454580592 /nfs/dbraw/zinc/58/05/92/454580592.db2.gz DHQQBDVVVQGSMT-SFHVURJKSA-N 1 1 347.418 3.346 40 0 EGABMO O=C(COc1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000148812274 454872508 /nfs/dbraw/zinc/87/25/08/454872508.db2.gz ATTQKXYOXWMXFQ-UHFFFAOYSA-N 1 1 344.842 3.063 40 0 EGABMO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126889406 454924809 /nfs/dbraw/zinc/92/48/09/454924809.db2.gz SJNLUQAHIHTRMA-JKSUJKDBSA-N 1 1 342.443 3.098 40 0 EGABMO Cc1occc1CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245638709 455345518 /nfs/dbraw/zinc/34/55/18/455345518.db2.gz KASYQRUZOWDAJO-MSOLQXFVSA-N 1 1 327.428 3.175 40 0 EGABMO O[C@]1(c2cccnc2)CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]21 ZINC000247849426 455649333 /nfs/dbraw/zinc/64/93/33/455649333.db2.gz GCEVUISTTAMAGY-MDYRTPRTSA-N 1 1 344.405 3.480 40 0 EGABMO O=C1N[C@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)Nc2ccccc21 ZINC000247960020 455660325 /nfs/dbraw/zinc/66/03/25/455660325.db2.gz PURXELHQIVUYIF-BLIXFSHQSA-N 1 1 333.435 3.080 40 0 EGABMO Cc1ncsc1C[N@H+]1Cc2cccn2C[C@@H](Oc2cccnc2)C1 ZINC000247998871 455667612 /nfs/dbraw/zinc/66/76/12/455667612.db2.gz BHGWSAYOZLMMEX-KRWDZBQOSA-N 1 1 340.452 3.111 40 0 EGABMO Cc1ncsc1C[N@@H+]1Cc2cccn2C[C@@H](Oc2cccnc2)C1 ZINC000247998871 455667613 /nfs/dbraw/zinc/66/76/13/455667613.db2.gz BHGWSAYOZLMMEX-KRWDZBQOSA-N 1 1 340.452 3.111 40 0 EGABMO CCn1cncc1C[N@H+]1C[C@@H]2CCC[C@@](O)(c3ccc(C)cc3)[C@H]2C1 ZINC000248095580 455679872 /nfs/dbraw/zinc/67/98/72/455679872.db2.gz NXAYDVCQUNHBFR-DZFGPLHGSA-N 1 1 339.483 3.331 40 0 EGABMO Cc1ccc(C[N@H+]2Cc3cccn3C[C@@H](OCc3ccccn3)C2)o1 ZINC000248125300 455683933 /nfs/dbraw/zinc/68/39/33/455683933.db2.gz WPSOERUIWBTWND-FQEVSTJZSA-N 1 1 337.423 3.386 40 0 EGABMO Cc1ccc(C[N@@H+]2Cc3cccn3C[C@@H](OCc3ccccn3)C2)o1 ZINC000248125300 455683939 /nfs/dbraw/zinc/68/39/39/455683939.db2.gz WPSOERUIWBTWND-FQEVSTJZSA-N 1 1 337.423 3.386 40 0 EGABMO COc1cccc([C@H]2[C@H]([NH2+]Cc3nc(C)c(C)o3)CCN2C2CC2)c1 ZINC000253392849 455837826 /nfs/dbraw/zinc/83/78/26/455837826.db2.gz GYCKVJVBGWYXBT-QUCCMNQESA-N 1 1 341.455 3.368 40 0 EGABMO COc1cccc([C@H]2[C@H](NCc3nc(C)c(C)o3)CC[N@@H+]2C2CC2)c1 ZINC000253392849 455837831 /nfs/dbraw/zinc/83/78/31/455837831.db2.gz GYCKVJVBGWYXBT-QUCCMNQESA-N 1 1 341.455 3.368 40 0 EGABMO COc1cccc([C@H]2[C@H](NCc3nc(C)c(C)o3)CC[N@H+]2C2CC2)c1 ZINC000253392849 455837838 /nfs/dbraw/zinc/83/78/38/455837838.db2.gz GYCKVJVBGWYXBT-QUCCMNQESA-N 1 1 341.455 3.368 40 0 EGABMO C[C@]12C[C@@H](c3ccccc3F)[N@H+](C3CCOCC3)[C@H]1CCCC(=O)N2 ZINC000257289069 455884039 /nfs/dbraw/zinc/88/40/39/455884039.db2.gz PWVXTLVFAZIYMO-BJLQDIEVSA-N 1 1 346.446 3.179 40 0 EGABMO Cc1cc2nc(C3CC[NH+](Cc4ncccc4F)CC3)cc(C)n2n1 ZINC000257317618 455890240 /nfs/dbraw/zinc/89/02/40/455890240.db2.gz VKMZYRCBWZOOTM-UHFFFAOYSA-N 1 1 339.418 3.260 40 0 EGABMO CCN(CC)c1ncc(C[N@@H+]2CCC[C@H]2c2cncc(NC)n2)s1 ZINC000257321617 455891706 /nfs/dbraw/zinc/89/17/06/455891706.db2.gz WCKFLSJFEYTFTJ-HNNXBMFYSA-N 1 1 346.504 3.158 40 0 EGABMO CCN(CC)c1ncc(C[N@H+]2CCC[C@H]2c2cncc(NC)n2)s1 ZINC000257321617 455891711 /nfs/dbraw/zinc/89/17/11/455891711.db2.gz WCKFLSJFEYTFTJ-HNNXBMFYSA-N 1 1 346.504 3.158 40 0 EGABMO CN(C)c1cccc(CC[C@@H]2CCCC[N@H+]2CC2CCOCC2)n1 ZINC000257331539 455893372 /nfs/dbraw/zinc/89/33/72/455893372.db2.gz XTHVAPRFRNQDKH-IBGZPJMESA-N 1 1 331.504 3.361 40 0 EGABMO CCCc1ccc(OCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000225195968 456074354 /nfs/dbraw/zinc/07/43/54/456074354.db2.gz RDEOVJNSMQANJA-FQEVSTJZSA-N 1 1 340.467 3.437 40 0 EGABMO CC(C)CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225573941 456094402 /nfs/dbraw/zinc/09/44/02/456094402.db2.gz FFDZQPUPTGWXCJ-UHFFFAOYSA-N 1 1 326.843 3.463 40 0 EGABMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CCOc3c(Cl)cccc31)C2 ZINC000289942752 456189784 /nfs/dbraw/zinc/18/97/84/456189784.db2.gz LPQOFFKIHWSLPE-WBMJQRKESA-N 1 1 345.830 3.047 40 0 EGABMO FC(F)(F)CC1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000342844547 457552989 /nfs/dbraw/zinc/55/29/89/457552989.db2.gz YXJKUGDBFUWHCP-UHFFFAOYSA-N 1 1 349.422 3.144 40 0 EGABMO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000573842834 459743886 /nfs/dbraw/zinc/74/38/86/459743886.db2.gz HCZIGCJATCAGRB-QNTPUYCNSA-N 1 1 327.346 3.208 40 0 EGABMO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000573842834 459743892 /nfs/dbraw/zinc/74/38/92/459743892.db2.gz HCZIGCJATCAGRB-QNTPUYCNSA-N 1 1 327.346 3.208 40 0 EGABMO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]21 ZINC000585109700 459825475 /nfs/dbraw/zinc/82/54/75/459825475.db2.gz JAAUNCDEYGZFIW-IRFCIJBXSA-N 1 1 342.483 3.100 40 0 EGABMO Cc1cccc(CO[C@@H]2CSC3(C[NH+](Cc4ccco4)C3)C2)n1 ZINC000585105550 459825547 /nfs/dbraw/zinc/82/55/47/459825547.db2.gz ZKUKUUQWVLBQFY-KRWDZBQOSA-N 1 1 330.453 3.260 40 0 EGABMO CC(C)c1cc(C[N@@H+]2CC[C@H](O)[C@H](Cc3ccccc3F)C2)on1 ZINC000585279298 459832020 /nfs/dbraw/zinc/83/20/20/459832020.db2.gz ZETWJJQPQCZNOM-BEFAXECRSA-N 1 1 332.419 3.363 40 0 EGABMO CC(C)c1cc(C[N@H+]2CC[C@H](O)[C@H](Cc3ccccc3F)C2)on1 ZINC000585279298 459832025 /nfs/dbraw/zinc/83/20/25/459832025.db2.gz ZETWJJQPQCZNOM-BEFAXECRSA-N 1 1 332.419 3.363 40 0 EGABMO Cc1cccc(O[C@@H]2CCC[C@H](NCC[N@@H+](C)C3CCCC3)[C@H]2O)c1 ZINC000585289730 459833609 /nfs/dbraw/zinc/83/36/09/459833609.db2.gz WHXOAAUAPGHFLM-PWRODBHTSA-N 1 1 346.515 3.120 40 0 EGABMO Cc1cccc(O[C@@H]2CCC[C@H](NCC[N@H+](C)C3CCCC3)[C@H]2O)c1 ZINC000585289730 459833613 /nfs/dbraw/zinc/83/36/13/459833613.db2.gz WHXOAAUAPGHFLM-PWRODBHTSA-N 1 1 346.515 3.120 40 0 EGABMO CC(C)c1cc(C(=O)N2CCCC[C@@H]3[N@@H+](C)CCC[C@@]32C)n(C)n1 ZINC000257227666 535348719 /nfs/dbraw/zinc/34/87/19/535348719.db2.gz FQIPCTAORVOFER-HKUYNNGSSA-N 1 1 332.492 3.023 40 0 EGABMO O=C(c1ccsc1)N1C[C@]2(CC[N@@H+](CC3CC3)C2)c2ncccc21 ZINC000306128970 547460071 /nfs/dbraw/zinc/46/00/71/547460071.db2.gz HPVHCXGEXHMSQG-LJQANCHMSA-N 1 1 339.464 3.157 40 0 EGABMO CC[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000054174811 214222229 /nfs/dbraw/zinc/22/22/29/214222229.db2.gz QDINEDZTDJZKOO-GFCCVEGCSA-N 1 1 339.365 3.303 40 0 EGABMO CC[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000054174811 214222231 /nfs/dbraw/zinc/22/22/31/214222231.db2.gz QDINEDZTDJZKOO-GFCCVEGCSA-N 1 1 339.365 3.303 40 0 EGABMO Cc1nnc(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)n1C ZINC000178305823 232132216 /nfs/dbraw/zinc/13/22/16/232132216.db2.gz LXSFTDIJGKVYIC-GOSISDBHSA-N 1 1 342.393 3.475 40 0 EGABMO Oc1cccc(-c2cc(CC3([NH2+]Cc4ccccc4)COC3)no2)c1 ZINC000067898294 215246274 /nfs/dbraw/zinc/24/62/74/215246274.db2.gz ONULJROEXLODDY-UHFFFAOYSA-N 1 1 336.391 3.149 40 0 biogenic,in-vitro EGABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cccnc1 ZINC000036740313 213115066 /nfs/dbraw/zinc/11/50/66/213115066.db2.gz ZZUDUCXGXDQZEO-UHFFFAOYSA-N 1 1 336.439 3.379 40 0 EGABMO CCc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)s1 ZINC000036398614 213097836 /nfs/dbraw/zinc/09/78/36/213097836.db2.gz NWWZYCDTGKKANH-UHFFFAOYSA-N 1 1 328.481 3.489 40 0 EGABMO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)nc2c1 ZINC000035446722 213028370 /nfs/dbraw/zinc/02/83/70/213028370.db2.gz BTRZSNJJLXFSJR-JTQLQIEISA-N 1 1 335.333 3.294 40 0 biogenic,in-vitro EGABMO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)nc2c1 ZINC000035446722 213028373 /nfs/dbraw/zinc/02/83/73/213028373.db2.gz BTRZSNJJLXFSJR-JTQLQIEISA-N 1 1 335.333 3.294 40 0 biogenic,in-vitro EGABMO Cc1nccn1-c1nccnc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072350542 216161735 /nfs/dbraw/zinc/16/17/35/216161735.db2.gz JWYDSVYREGKLJU-IBGZPJMESA-N 1 1 347.466 3.393 40 0 EGABMO Cc1cnc(NC(=O)CCc2cc(C)nc([C@H]3CCC[N@@H+]3C)c2)s1 ZINC000072366845 216171498 /nfs/dbraw/zinc/17/14/98/216171498.db2.gz AQYGPWZOWCOIJE-MRXNPFEDSA-N 1 1 344.484 3.493 40 0 EGABMO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Br)o1)c1ccccc1 ZINC000191464673 239128699 /nfs/dbraw/zinc/12/86/99/239128699.db2.gz WDOBFLMDKUFXHI-BFUOFWGJSA-N 1 1 342.258 3.252 40 0 EGABMO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](CCO[C@@H]3CCCCO3)C2)n1 ZINC000193116324 240027667 /nfs/dbraw/zinc/02/76/67/240027667.db2.gz HCGTXHGQAXPDMT-DZGCQCFKSA-N 1 1 347.381 3.082 40 0 EGABMO Cn1c[nH+]cc1CCc1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC000193182278 240050355 /nfs/dbraw/zinc/05/03/55/240050355.db2.gz ULDGPUYHJMPMEY-UHFFFAOYSA-N 1 1 347.378 3.443 40 0 EGABMO CCc1nc(N2CCC(NC(=O)c3ccccc3C)CC2)cc(C)[nH+]1 ZINC000225817417 242051152 /nfs/dbraw/zinc/05/11/52/242051152.db2.gz LNBXWMHURPFLHL-UHFFFAOYSA-N 1 1 338.455 3.055 40 0 EGABMO CCOc1ccccc1NC(=S)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000225735729 242010137 /nfs/dbraw/zinc/01/01/37/242010137.db2.gz QGLNBUQSMYFDFK-OAHLLOKOSA-N 1 1 335.517 3.494 40 0 EGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(OC)c(C)c1 ZINC000225754536 242019363 /nfs/dbraw/zinc/01/93/63/242019363.db2.gz JQUYCJMPAYLADW-GOSISDBHSA-N 1 1 332.488 3.317 40 0 EGABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000257232587 244217326 /nfs/dbraw/zinc/21/73/26/244217326.db2.gz GLNRARLZERELAN-IBGZPJMESA-N 1 1 327.403 3.194 40 0 EGABMO CO[C@H]1C[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)CC[C@@]12CCCO2 ZINC000257237152 244233248 /nfs/dbraw/zinc/23/32/48/244233248.db2.gz HFISYHIYSSTHRW-ICSRJNTNSA-N 1 1 346.471 3.018 40 0 EGABMO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(C(C)C)cc2)CC[C@@]12CCCO2 ZINC000257237152 244233254 /nfs/dbraw/zinc/23/32/54/244233254.db2.gz HFISYHIYSSTHRW-ICSRJNTNSA-N 1 1 346.471 3.018 40 0 EGABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1ccc(F)cc1 ZINC000257239157 244239563 /nfs/dbraw/zinc/23/95/63/244239563.db2.gz HOEAWOCPPDGOMU-ZNWBIBPKSA-N 1 1 346.446 3.068 40 0 EGABMO NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@@H+](CC2CC2)C1 ZINC000019374154 212024506 /nfs/dbraw/zinc/02/45/06/212024506.db2.gz OOEJUWXMGAYCDL-QFIPXVFZSA-N 1 1 334.463 3.484 40 0 EGABMO Fc1cccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1 ZINC000019293775 212012915 /nfs/dbraw/zinc/01/29/15/212012915.db2.gz RGGVZXVJVFHYNS-QFBILLFUSA-N 1 1 338.430 3.478 40 0 EGABMO Fc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1 ZINC000019293775 212012918 /nfs/dbraw/zinc/01/29/18/212012918.db2.gz RGGVZXVJVFHYNS-QFBILLFUSA-N 1 1 338.430 3.478 40 0 EGABMO CSc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000110674548 220054914 /nfs/dbraw/zinc/05/49/14/220054914.db2.gz ZAJALAGMSRMVLZ-GRDNDAEWSA-N 1 1 335.517 3.451 40 0 EGABMO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000130217359 285310478 /nfs/dbraw/zinc/31/04/78/285310478.db2.gz ZTAFZZONAOHQQS-PQEBFOHHSA-N 1 1 348.453 3.465 40 0 EGABMO CS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000195531803 278146769 /nfs/dbraw/zinc/14/67/69/278146769.db2.gz PQZVUHZHPRKMHH-JHJVBQTASA-N 1 1 338.439 3.003 40 0 EGABMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)cn1 ZINC000097230917 323215117 /nfs/dbraw/zinc/21/51/17/323215117.db2.gz IPSZZWAWAUJVDK-ZDUSSCGKSA-N 1 1 341.484 3.071 40 0 EGABMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)no1 ZINC000097233658 323215263 /nfs/dbraw/zinc/21/52/63/323215263.db2.gz WDVHZDNIFVSSJT-NVXWUHKLSA-N 1 1 349.381 3.215 40 0 EGABMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)no1 ZINC000097233658 323215264 /nfs/dbraw/zinc/21/52/64/323215264.db2.gz WDVHZDNIFVSSJT-NVXWUHKLSA-N 1 1 349.381 3.215 40 0 EGABMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccccc3F)[C@H](C)C2)s1 ZINC000239367403 455261807 /nfs/dbraw/zinc/26/18/07/455261807.db2.gz AIOPLLZVLIPHGT-PXAZEXFGSA-N 1 1 347.459 3.231 40 0 EGABMO Cc1cc(C)c(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000006500578 452948189 /nfs/dbraw/zinc/94/81/89/452948189.db2.gz BWKFDNLKEHZJFX-FQEVSTJZSA-N 1 1 325.452 3.410 40 0 EGABMO COc1ccccc1[C@H](CNC(=S)Nc1ccccc1F)[NH+](C)C ZINC000007580310 453088222 /nfs/dbraw/zinc/08/82/22/453088222.db2.gz DJPDOBICTXAXNS-INIZCTEOSA-N 1 1 347.459 3.424 40 0 EGABMO CC(=O)N1CCCc2cc([C@H](O)C[N@H+]3CCCC(C)(C)C3)ccc21 ZINC000012291251 453354200 /nfs/dbraw/zinc/35/42/00/453354200.db2.gz MHAIGNNTCKOVOB-LJQANCHMSA-N 1 1 330.472 3.141 40 0 EGABMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCc2ccccc21 ZINC000013002412 453435504 /nfs/dbraw/zinc/43/55/04/453435504.db2.gz BEYLGMVMKIKXMS-PZJWPPBQSA-N 1 1 334.463 3.497 40 0 EGABMO C[N@H+](CCOc1ccccc1Cl)CC(=O)Nc1ccc(F)cc1 ZINC000013073698 453443692 /nfs/dbraw/zinc/44/36/92/453443692.db2.gz CCWXLIABPWBJLQ-UHFFFAOYSA-N 1 1 336.794 3.428 40 0 EGABMO C[N@@H+](CCOc1ccccc1Cl)CC(=O)Nc1ccc(F)cc1 ZINC000013073698 453443701 /nfs/dbraw/zinc/44/37/01/453443701.db2.gz CCWXLIABPWBJLQ-UHFFFAOYSA-N 1 1 336.794 3.428 40 0 EGABMO COc1ccc2nc(C[N@@H+](CCO)Cc3cccs3)ccc2c1 ZINC000013997494 453495878 /nfs/dbraw/zinc/49/58/78/453495878.db2.gz YCXKKCCDTHXKEN-UHFFFAOYSA-N 1 1 328.437 3.299 40 0 EGABMO C/C(=C\c1ccccc1)CN1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019014427 453653088 /nfs/dbraw/zinc/65/30/88/453653088.db2.gz NMCPAYHOYOUTND-ZRNYNZGJSA-N 1 1 334.467 3.363 40 0 EGABMO C/C(=C\c1ccccc1)CN1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019014425 453653212 /nfs/dbraw/zinc/65/32/12/453653212.db2.gz NMCPAYHOYOUTND-GRFAERAESA-N 1 1 334.467 3.363 40 0 EGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000019210228 453655284 /nfs/dbraw/zinc/65/52/84/453655284.db2.gz BAQGOMLNFKFLGJ-NRFANRHFSA-N 1 1 336.435 3.152 40 0 EGABMO c1ccc(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000022462538 453692879 /nfs/dbraw/zinc/69/28/79/453692879.db2.gz VHHKQPAMKPAGAC-JOCHJYFZSA-N 1 1 335.495 3.079 40 0 EGABMO COc1cccc(COC[C@H](O)C[N@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000032489808 453876266 /nfs/dbraw/zinc/87/62/66/453876266.db2.gz YYZCKVOFEQSCLK-GOEBONIOSA-N 1 1 347.480 3.254 40 0 EGABMO Cc1csc(C2([NH2+]CC(=O)NCc3ccc(F)cc3)CCCC2)n1 ZINC000081595910 453892532 /nfs/dbraw/zinc/89/25/32/453892532.db2.gz YKHXRYHZVMODDX-UHFFFAOYSA-N 1 1 347.459 3.266 40 0 EGABMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(Br)cc1 ZINC000040107539 453947460 /nfs/dbraw/zinc/94/74/60/453947460.db2.gz UKWFRUVJIVUHII-LBPRGKRZSA-N 1 1 325.250 3.053 40 0 EGABMO C[C@H](Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000076317060 453988529 /nfs/dbraw/zinc/98/85/29/453988529.db2.gz PKLIBIDQPBGCJJ-KRWDZBQOSA-N 1 1 337.467 3.176 40 0 EGABMO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000077512706 454116090 /nfs/dbraw/zinc/11/60/90/454116090.db2.gz GGTBXGLAINNQON-HNNXBMFYSA-N 1 1 328.416 3.111 40 0 EGABMO Cc1nnc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)n1C ZINC000057619602 454137518 /nfs/dbraw/zinc/13/75/18/454137518.db2.gz AYWGMAGTCSRGOP-UHFFFAOYSA-N 1 1 342.443 3.187 40 0 EGABMO Cc1nnc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)n1C ZINC000057619602 454137522 /nfs/dbraw/zinc/13/75/22/454137522.db2.gz AYWGMAGTCSRGOP-UHFFFAOYSA-N 1 1 342.443 3.187 40 0 EGABMO Cn1cc(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)cn1 ZINC000096046093 454267892 /nfs/dbraw/zinc/26/78/92/454267892.db2.gz LPGPBLHAGRQEJI-USXIJHARSA-N 1 1 344.484 3.106 40 0 EGABMO Cn1cc(C[N@H+]2CC[C@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)cn1 ZINC000096046093 454267898 /nfs/dbraw/zinc/26/78/98/454267898.db2.gz LPGPBLHAGRQEJI-USXIJHARSA-N 1 1 344.484 3.106 40 0 EGABMO c1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3O2)n1 ZINC000096046043 454268230 /nfs/dbraw/zinc/26/82/30/454268230.db2.gz OGJOCZXSJAGHPB-IAOVAPTHSA-N 1 1 344.436 3.224 40 0 EGABMO c1csc([C@H]2C[C@@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3O2)n1 ZINC000096046043 454268233 /nfs/dbraw/zinc/26/82/33/454268233.db2.gz OGJOCZXSJAGHPB-IAOVAPTHSA-N 1 1 344.436 3.224 40 0 EGABMO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096047034 454269584 /nfs/dbraw/zinc/26/95/84/454269584.db2.gz ZAAUWFXJWPUFIQ-IBGZPJMESA-N 1 1 341.480 3.271 40 0 EGABMO Fc1ccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047644 454270477 /nfs/dbraw/zinc/27/04/77/454270477.db2.gz VFYGVLVBNRIIJU-APWZRJJASA-N 1 1 345.393 3.205 40 0 EGABMO O=C(Nc1ccccc1)[C@H]1C[N@@H+](Cc2ccco2)CC12CCOCC2 ZINC000096052244 454273140 /nfs/dbraw/zinc/27/31/40/454273140.db2.gz KCHAVAARKDKCRY-GOSISDBHSA-N 1 1 340.423 3.147 40 0 EGABMO Cc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)o1 ZINC000096050720 454273174 /nfs/dbraw/zinc/27/31/74/454273174.db2.gz FJKKLFHXSVYERW-LJQANCHMSA-N 1 1 328.387 3.356 40 0 EGABMO CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cccs3)O2)CC1 ZINC000096057535 454274160 /nfs/dbraw/zinc/27/41/60/454274160.db2.gz NTYASOQSSYYUKF-KZNAEPCWSA-N 1 1 348.512 3.129 40 0 EGABMO Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4cccs4)CC[N@H+]3C2)c1 ZINC000096055134 454274905 /nfs/dbraw/zinc/27/49/05/454274905.db2.gz DMCBCGNLDSUMOU-DOTOQJQBSA-N 1 1 332.444 3.225 40 0 EGABMO Fc1cccc(O[C@@H]2C[C@H]3C[N@H+](Cc4cccs4)CCN3C2)c1 ZINC000096055134 454274907 /nfs/dbraw/zinc/27/49/07/454274907.db2.gz DMCBCGNLDSUMOU-DOTOQJQBSA-N 1 1 332.444 3.225 40 0 EGABMO Fc1cccc(O[C@@H]2C[C@H]3C[N@@H+](Cc4cccs4)CCN3C2)c1 ZINC000096055134 454274912 /nfs/dbraw/zinc/27/49/12/454274912.db2.gz DMCBCGNLDSUMOU-DOTOQJQBSA-N 1 1 332.444 3.225 40 0 EGABMO Cc1ncsc1C[N@@H+]1CC[C@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096070681 454278059 /nfs/dbraw/zinc/27/80/59/454278059.db2.gz IRWNAJYZJNRTDD-MELADBBJSA-N 1 1 346.456 3.064 40 0 EGABMO Cc1ncsc1C[N@H+]1CC[C@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096070681 454278061 /nfs/dbraw/zinc/27/80/61/454278061.db2.gz IRWNAJYZJNRTDD-MELADBBJSA-N 1 1 346.456 3.064 40 0 EGABMO c1ccc(N2CCc3[nH+]c(N4CCCC4)nc(NC4CC4)c3C2)cc1 ZINC000096083699 454280292 /nfs/dbraw/zinc/28/02/92/454280292.db2.gz BPXCDTDBIQGUPA-UHFFFAOYSA-N 1 1 335.455 3.214 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2CN(C(=O)CC3CCCC3)C[C@H]2C1 ZINC000096081450 454280632 /nfs/dbraw/zinc/28/06/32/454280632.db2.gz QWWOYOLFDCAPQL-ZWKOTPCHSA-N 1 1 345.487 3.152 40 0 EGABMO CCOc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OCC ZINC000060524758 454297613 /nfs/dbraw/zinc/29/76/13/454297613.db2.gz WSMFIQVWROSOMM-IYBDPMFKSA-N 1 1 348.487 3.192 40 0 EGABMO c1cc(C[N@@H+]2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)co1 ZINC000096206966 454304173 /nfs/dbraw/zinc/30/41/73/454304173.db2.gz VGYJBHSXFPIUHP-OALUTQOASA-N 1 1 328.412 3.015 40 0 EGABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC000096238569 454310781 /nfs/dbraw/zinc/31/07/81/454310781.db2.gz KYCFEHOLECRECM-FQEVSTJZSA-N 1 1 339.439 3.229 40 0 EGABMO Cc1cc(C)n(Cc2cccc(NC(=O)NCC[N@H+](C)C(C)C)c2)n1 ZINC000096434769 454346780 /nfs/dbraw/zinc/34/67/80/454346780.db2.gz PYTLYSRPORHJOA-UHFFFAOYSA-N 1 1 343.475 3.010 40 0 EGABMO COc1ccc2cc([C@H](C)[N@H+]3CCCN(C(C)=O)CC3)ccc2c1 ZINC000096443259 454351084 /nfs/dbraw/zinc/35/10/84/454351084.db2.gz OKUHUFXXVRXYKL-HNNXBMFYSA-N 1 1 326.440 3.464 40 0 EGABMO CCc1nc(C(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c[nH]1 ZINC000096454215 454357289 /nfs/dbraw/zinc/35/72/89/454357289.db2.gz RXBKRUBEGBTBHF-DOTOQJQBSA-N 1 1 340.471 3.270 40 0 EGABMO CCc1ncc(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[nH]1 ZINC000096454215 454357292 /nfs/dbraw/zinc/35/72/92/454357292.db2.gz RXBKRUBEGBTBHF-DOTOQJQBSA-N 1 1 340.471 3.270 40 0 EGABMO CCc1ncc(C(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[nH]1 ZINC000096454215 454357295 /nfs/dbraw/zinc/35/72/95/454357295.db2.gz RXBKRUBEGBTBHF-DOTOQJQBSA-N 1 1 340.471 3.270 40 0 EGABMO Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)on1 ZINC000096483684 454366560 /nfs/dbraw/zinc/36/65/60/454366560.db2.gz JCZNHWJPYDQWQY-YIONKMFJSA-N 1 1 335.448 3.345 40 0 EGABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000049168974 454537447 /nfs/dbraw/zinc/53/74/47/454537447.db2.gz YCWFVYXSWPYGMW-AWEZNQCLSA-N 1 1 329.469 3.097 40 0 biogenic,in-vitro EGABMO Cc1ccc(C[C@H](C)NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000176279006 454721528 /nfs/dbraw/zinc/72/15/28/454721528.db2.gz QIIPJSGFEZXPSQ-BBRMVZONSA-N 1 1 346.500 3.367 40 0 EGABMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC2)OCCN3c2cccnc2)s1 ZINC000107255229 454747980 /nfs/dbraw/zinc/74/79/80/454747980.db2.gz RMXYOZYULYJJFG-MOPGFXCFSA-N 1 1 343.496 3.321 40 0 EGABMO O=C(Nc1ccccc1)N1C[C@H]2C[N@@H+](CCCc3ccccc3)[C@@H]2C1 ZINC000107798599 454773272 /nfs/dbraw/zinc/77/32/72/454773272.db2.gz ODAWGHBAUACBMA-UYAOXDASSA-N 1 1 335.451 3.467 40 0 EGABMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ncncc3Cl)c2C1 ZINC000179768105 455077406 /nfs/dbraw/zinc/07/74/06/455077406.db2.gz WLTSGWKBHUTNEK-UHFFFAOYSA-N 1 1 330.819 3.354 40 0 EGABMO c1cc2c(cccc2C[NH+]2CC3(C2)OCC[C@@H]3COc2ccccn2)[nH]1 ZINC000248073988 455679403 /nfs/dbraw/zinc/67/94/03/455679403.db2.gz HUUUTZYLAOWKCA-QGZVFWFLSA-N 1 1 349.434 3.233 40 0 EGABMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(OCC4CC4)cc3)[C@H]2C1 ZINC000248814912 455732946 /nfs/dbraw/zinc/73/29/46/455732946.db2.gz DJYZYXDULUFRIZ-HSALFYBXSA-N 1 1 331.456 3.244 40 0 EGABMO O=C(N[C@@H](c1ccccc1)C1CCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252486574 455810366 /nfs/dbraw/zinc/81/03/66/455810366.db2.gz LRJSMPHHHRJMHW-QYZOEREBSA-N 1 1 327.472 3.454 40 0 EGABMO CO[C@H](C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)c1ccccc1 ZINC000252488335 455811102 /nfs/dbraw/zinc/81/11/02/455811102.db2.gz IPIYFOPSGGSSEO-SJLPKXTDSA-N 1 1 332.488 3.248 40 0 EGABMO CCc1[nH+]c2ccccc2c(N2CCO[C@H](c3n[nH]c(C)n3)C2)c1C ZINC000252496019 455814198 /nfs/dbraw/zinc/81/41/98/455814198.db2.gz PEGTXPPYQCYYNX-KRWDZBQOSA-N 1 1 337.427 3.110 40 0 EGABMO C[N@@H+](CC(=O)Nc1nccs1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000253426786 455844973 /nfs/dbraw/zinc/84/49/73/455844973.db2.gz AYKHGFVGHFGOJI-LSDHHAIUSA-N 1 1 349.431 3.073 40 0 EGABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4cc[nH]n4)[C@@H]3C[C@H]21 ZINC000257206248 455880976 /nfs/dbraw/zinc/88/09/76/455880976.db2.gz BCOXJZDXTOZQEZ-RWQQGDIJSA-N 1 1 339.439 3.301 40 0 EGABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4cc[nH]n4)[C@@H]3C[C@H]21 ZINC000257206248 455880986 /nfs/dbraw/zinc/88/09/86/455880986.db2.gz BCOXJZDXTOZQEZ-RWQQGDIJSA-N 1 1 339.439 3.301 40 0 EGABMO Cn1cnc(C[N@@H+]2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)c1 ZINC000257323300 455891666 /nfs/dbraw/zinc/89/16/66/455891666.db2.gz WJNQUUWMFBBJAE-MRXNPFEDSA-N 1 1 349.438 3.382 40 0 EGABMO Cn1cnc(C[N@H+]2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)c1 ZINC000257323300 455891672 /nfs/dbraw/zinc/89/16/72/455891672.db2.gz WJNQUUWMFBBJAE-MRXNPFEDSA-N 1 1 349.438 3.382 40 0 EGABMO COc1ccccc1CC(=O)N1CCCC[C@@H]2[N@@H+](C)CCC[C@@]21C ZINC000257328228 455893320 /nfs/dbraw/zinc/89/33/20/455893320.db2.gz XESRGYUWGKHPOW-ICSRJNTNSA-N 1 1 330.472 3.103 40 0 EGABMO c1ncc(C[N@@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)s1 ZINC000257336652 455893868 /nfs/dbraw/zinc/89/38/68/455893868.db2.gz YPJQLUGBQMTXMT-INIZCTEOSA-N 1 1 339.464 3.382 40 0 EGABMO Cc1ccc(F)cc1NC(=O)C[NH+]1CCC2(COC(C)(C)C2)CC1 ZINC000257341082 455895975 /nfs/dbraw/zinc/89/59/75/455895975.db2.gz ZIUBBUKSSWFYIC-UHFFFAOYSA-N 1 1 334.435 3.354 40 0 EGABMO COc1ccc(C[N@H+]2CC[C@H]3COC(=O)N3c3ccccc3C2)cc1 ZINC000225481893 456086842 /nfs/dbraw/zinc/08/68/42/456086842.db2.gz XQOCNZIEXKQNFG-KRWDZBQOSA-N 1 1 338.407 3.426 40 0 biogenic,in-vitro EGABMO Cc1ccc2c(C)cc(N3CCC[C@H]([N@H+](C)CC(=O)[O-])CC3)[nH+]c2c1 ZINC000263542456 456163082 /nfs/dbraw/zinc/16/30/82/456163082.db2.gz DTJIFKHZOHFSBP-INIZCTEOSA-N 1 1 341.455 3.227 40 0 EGABMO Cc1ccc2c(C)cc(N3CCC[C@H]([N@@H+](C)CC(=O)[O-])CC3)[nH+]c2c1 ZINC000263542456 456163087 /nfs/dbraw/zinc/16/30/87/456163087.db2.gz DTJIFKHZOHFSBP-INIZCTEOSA-N 1 1 341.455 3.227 40 0 EGABMO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3CC2CC2)s1 ZINC000306140787 456567884 /nfs/dbraw/zinc/56/78/84/456567884.db2.gz VEGHYFWRUAUWIC-ZWKOTPCHSA-N 1 1 341.480 3.149 40 0 EGABMO c1nc2n(c1-c1ccccc1)C[C@H]1C[N@H+](Cc3ccncc3)C[C@@H]1C2 ZINC000306138269 456568176 /nfs/dbraw/zinc/56/81/76/456568176.db2.gz RTVCZACNJSGRPG-RBUKOAKNSA-N 1 1 330.435 3.249 40 0 EGABMO c1csc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)n1 ZINC000306137920 456568387 /nfs/dbraw/zinc/56/83/87/456568387.db2.gz RKCBXZLMELHCHT-JKSUJKDBSA-N 1 1 336.464 3.311 40 0 EGABMO Cc1cc(NC[C@H]2CCC[N@H+](C(C)C)C2)nc(-c2cccnc2)n1 ZINC000299375094 456672430 /nfs/dbraw/zinc/67/24/30/456672430.db2.gz LUDHYWLNWNVGFX-MRXNPFEDSA-N 1 1 325.460 3.379 40 0 EGABMO C[C@H]1CCN(C(=O)c2c[nH]c3cccnc23)CC[N@H+]1Cc1ccccc1 ZINC000329891224 456956988 /nfs/dbraw/zinc/95/69/88/456956988.db2.gz HNTIHDUOHLPEBV-INIZCTEOSA-N 1 1 348.450 3.300 40 0 EGABMO Fc1ccc(C[N@H+]2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)cc1 ZINC000503716904 458722406 /nfs/dbraw/zinc/72/24/06/458722406.db2.gz JNRIQASLXWYYBN-AABGKKOBSA-N 1 1 342.414 3.169 40 0 EGABMO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@@H+](CC1CC1)CC2 ZINC000585099882 459823161 /nfs/dbraw/zinc/82/31/61/459823161.db2.gz OWDFBWHGJCCBKM-LJQANCHMSA-N 1 1 331.460 3.049 40 0 EGABMO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)no1 ZINC000585289886 459833530 /nfs/dbraw/zinc/83/35/30/459833530.db2.gz WKFWRZWBMRTHET-IPMKNSEASA-N 1 1 330.428 3.084 40 0 EGABMO Cc1cc(C[N@H+](C)[C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)no1 ZINC000585289886 459833535 /nfs/dbraw/zinc/83/35/35/459833535.db2.gz WKFWRZWBMRTHET-IPMKNSEASA-N 1 1 330.428 3.084 40 0 EGABMO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1nccnc1C)O[C@@H](C)C2 ZINC000187709106 528340059 /nfs/dbraw/zinc/34/00/59/528340059.db2.gz AQKLROLCJXWWNY-JSGCOSHPSA-N 1 1 327.428 3.358 40 0 EGABMO