smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cncc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306141767 203792491 /nfs/dbraw/zinc/79/24/91/203792491.db2.gz WFSVJNVGVQKKMX-LJQANCHMSA-N 1 1 356.433 3.176 40 0 FGABMO C[N@@H+](Cc1cn(CCCO)c2ccccc12)Cc1[nH]nc2c1CCCC2 ZINC000012147143 204436987 /nfs/dbraw/zinc/43/69/87/204436987.db2.gz NTWLRADYTHINQG-UHFFFAOYSA-N 1 1 352.482 3.258 40 0 FGABMO C[N@H+](Cc1cn(CCCO)c2ccccc12)Cc1[nH]nc2c1CCCC2 ZINC000012147143 204436992 /nfs/dbraw/zinc/43/69/92/204436992.db2.gz NTWLRADYTHINQG-UHFFFAOYSA-N 1 1 352.482 3.258 40 0 FGABMO O=C([C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N1CCOCC1 ZINC000038832736 205043224 /nfs/dbraw/zinc/04/32/24/205043224.db2.gz OFTWEEHNKFELBR-CYBMUJFWSA-N 1 1 357.281 3.064 40 0 FGABMO Cc1cncc(C(=O)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccco4)[C@H]3C2)c1 ZINC000107746115 206022887 /nfs/dbraw/zinc/02/28/87/206022887.db2.gz ZYPHREITWGMBIL-VDGAXYAQSA-N 1 1 353.466 3.356 40 0 FGABMO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCC2)c2ccccc2Cl)CC1 ZINC000020139125 206330899 /nfs/dbraw/zinc/33/08/99/206330899.db2.gz VZLTYYJLNPFAAJ-GOSISDBHSA-N 1 1 374.920 3.169 40 0 FGABMO COc1cc(N2CCC[C@@]3(CC[N@@H+](Cc4cc(C)c(C)o4)C3)C2)ncn1 ZINC000096216576 132222492 /nfs/dbraw/zinc/22/24/92/132222492.db2.gz BLECEKFMHKSPRP-FQEVSTJZSA-N 1 1 356.470 3.188 40 0 FGABMO C[N@H+]1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216476 494145533 /nfs/dbraw/zinc/14/55/33/494145533.db2.gz AZBZSPBQTQNUMC-KRWDZBQOSA-N 1 1 360.502 3.296 40 0 FGABMO C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(NC(=O)c3cc(-c4ccco4)[nH]n3)sc12 ZINC000072325647 494152120 /nfs/dbraw/zinc/15/21/20/494152120.db2.gz CCZPKQSSQVKQOC-TVQRCGJNSA-N 1 1 355.423 3.070 40 0 FGABMO C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(NC(=O)c3cc(-c4ccco4)[nH]n3)sc12 ZINC000072325647 494152124 /nfs/dbraw/zinc/15/21/24/494152124.db2.gz CCZPKQSSQVKQOC-TVQRCGJNSA-N 1 1 355.423 3.070 40 0 FGABMO Nc1cc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)ccn1 ZINC000072356492 494156966 /nfs/dbraw/zinc/15/69/66/494156966.db2.gz AYZJNTQAPJOIFJ-QGZVFWFLSA-N 1 1 363.465 3.312 40 0 FGABMO Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000072379043 494160873 /nfs/dbraw/zinc/16/08/73/494160873.db2.gz FOMCUSVEHYAASA-OAHLLOKOSA-N 1 1 367.478 3.360 40 0 FGABMO CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000012135395 494206711 /nfs/dbraw/zinc/20/67/11/494206711.db2.gz KOQHNMOEEYUCJR-UGKGYDQZSA-N 1 1 365.477 3.103 40 0 FGABMO O=C(CCn1c(C(F)F)cc2cccnc21)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000012187302 494210987 /nfs/dbraw/zinc/21/09/87/494210987.db2.gz AHNHBHMYJWKXFE-HNNXBMFYSA-N 1 1 362.424 3.061 40 0 FGABMO CCn1ncc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)c1C ZINC000012276756 494219367 /nfs/dbraw/zinc/21/93/67/494219367.db2.gz LXHRRDLKTCIKNR-ZLGUVYLKSA-N 1 1 357.473 3.470 40 0 FGABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccn1 ZINC000012365843 494228205 /nfs/dbraw/zinc/22/82/05/494228205.db2.gz SEYSFPTUOOVIPS-DOTOQJQBSA-N 1 1 356.495 3.131 40 0 FGABMO Fc1ccccc1C[N@H+]1CCC[C@@H](Cn2nnc(-c3cccs3)n2)C1 ZINC000012471597 494235677 /nfs/dbraw/zinc/23/56/77/494235677.db2.gz RLGXILIDWRDGNF-CQSZACIVSA-N 1 1 357.458 3.453 40 0 FGABMO O=c1cc(-c2cccnc2)nc([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)[nH]1 ZINC000019340320 494442407 /nfs/dbraw/zinc/44/24/07/494442407.db2.gz VAGBXCDQHNZRLP-OAHLLOKOSA-N 1 1 368.387 3.100 40 0 FGABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1cnc3ccccc3n1)C2 ZINC000019376667 494443638 /nfs/dbraw/zinc/44/36/38/494443638.db2.gz FPCGLKAKUORLSI-VSOVRNOCSA-N 1 1 360.461 3.145 40 0 FGABMO O[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)[C@@H](Cc3ccccc3)C[N@H+]2C1 ZINC000019372788 494443647 /nfs/dbraw/zinc/44/36/47/494443647.db2.gz BOEPSUUHEHAJOV-PCCBWWKXSA-N 1 1 356.897 3.202 40 0 FGABMO O=c1cc([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)nc(-c2ccccn2)[nH]1 ZINC000019402862 494444947 /nfs/dbraw/zinc/44/49/47/494444947.db2.gz JRJGFFNNKLDWFY-CQSZACIVSA-N 1 1 368.387 3.100 40 0 FGABMO CCC[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)n1nc(C)cc1C ZINC000019501796 494445802 /nfs/dbraw/zinc/44/58/02/494445802.db2.gz ODAHPCGHNCTOJI-VQTJNVASSA-N 1 1 354.498 3.356 40 0 FGABMO CCC[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)n1nc(C)cc1C ZINC000019501796 494445806 /nfs/dbraw/zinc/44/58/06/494445806.db2.gz ODAHPCGHNCTOJI-VQTJNVASSA-N 1 1 354.498 3.356 40 0 FGABMO CN(C[C@H]1OCCc2ccccc21)C(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000019581532 494451309 /nfs/dbraw/zinc/45/13/09/494451309.db2.gz OCEDPFHNZFDZOF-UXHICEINSA-N 1 1 356.441 3.201 40 0 FGABMO CN(C(=O)c1cccnc1)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019590887 494451684 /nfs/dbraw/zinc/45/16/84/494451684.db2.gz OFGJGSYUCHHYNG-UHFFFAOYSA-N 1 1 365.477 3.359 40 0 FGABMO CCCn1c2ccccc2nc1C[N@@H+]1CCCC[C@@H]2[C@H]1CCN2C(C)=O ZINC000019712578 494456512 /nfs/dbraw/zinc/45/65/12/494456512.db2.gz CJYZIPVJFAKUCO-WOJBJXKFSA-N 1 1 354.498 3.422 40 0 FGABMO CCCn1c2ccccc2nc1C[N@H+]1CCCC[C@@H]2[C@H]1CCN2C(C)=O ZINC000019712578 494456517 /nfs/dbraw/zinc/45/65/17/494456517.db2.gz CJYZIPVJFAKUCO-WOJBJXKFSA-N 1 1 354.498 3.422 40 0 FGABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)C1 ZINC000020040457 494465920 /nfs/dbraw/zinc/46/59/20/494465920.db2.gz MLKWXGIYBKFIFB-HNNXBMFYSA-N 1 1 351.450 3.270 40 0 FGABMO COc1ccc(C[NH2+]C2(Cc3cc(-c4ccccc4)on3)COC2)cc1 ZINC000067898004 494687781 /nfs/dbraw/zinc/68/77/81/494687781.db2.gz LZOONZVFIPGTBA-UHFFFAOYSA-N 1 1 350.418 3.452 40 0 biogenic,in-vitro FGABMO CC[NH+]1CCN(C(=O)c2cc(C(C)C)cc(Br)c2OC)CC1 ZINC000057339311 494717105 /nfs/dbraw/zinc/71/71/05/494717105.db2.gz YATYZLGGYFCFKP-UHFFFAOYSA-N 1 1 369.303 3.359 40 0 FGABMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1c(F)cc(Br)cc1F ZINC000027528302 494870824 /nfs/dbraw/zinc/87/08/24/494870824.db2.gz JUCCUWNVDDWOLY-ZYHUDNBSSA-N 1 1 364.230 3.341 40 0 FGABMO O=C(Cc1cccnc1)N1CCC[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096047121 494998178 /nfs/dbraw/zinc/99/81/78/494998178.db2.gz CVPCGKOAUGHPCH-JOCHJYFZSA-N 1 1 367.468 3.278 40 0 FGABMO Cc1noc(C)c1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC000096040345 494998420 /nfs/dbraw/zinc/99/84/20/494998420.db2.gz UOUGWAPGLGPUMC-AZUAARDMSA-N 1 1 357.454 3.137 40 0 FGABMO CN(Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048082 494998493 /nfs/dbraw/zinc/99/84/93/494998493.db2.gz USMMEIKCFYMOMW-OAQYLSRUSA-N 1 1 369.484 3.476 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1 ZINC000096048257 494999540 /nfs/dbraw/zinc/99/95/40/494999540.db2.gz NVMMFSJYEGPZKD-LEWJYISDSA-N 1 1 354.450 3.293 40 0 FGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000096048507 495000019 /nfs/dbraw/zinc/00/00/19/495000019.db2.gz JLEQOBORKYDHJM-MAUKXSAKSA-N 1 1 362.474 3.221 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)cc1 ZINC000096056582 495000083 /nfs/dbraw/zinc/00/00/83/495000083.db2.gz KWPBRXDNPVDPSX-RTBURBONSA-N 1 1 371.506 3.226 40 0 FGABMO COc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2=O)c1 ZINC000096050651 495000310 /nfs/dbraw/zinc/00/03/10/495000310.db2.gz FMJOYYQELBYBEK-FQEVSTJZSA-N 1 1 356.491 3.381 40 0 FGABMO CC[C@@H]1[N@@H+](Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052440 495000313 /nfs/dbraw/zinc/00/03/13/495000313.db2.gz QVZAJXSHUZWRIT-FPOVZHCZSA-N 1 1 360.498 3.077 40 0 FGABMO c1cc(C[N@H+]2Cc3cncn3C[C@@H](COCc3ccccn3)C2)cs1 ZINC000096217628 495007328 /nfs/dbraw/zinc/00/73/28/495007328.db2.gz GRFLHVUQAFRRPZ-KRWDZBQOSA-N 1 1 354.479 3.188 40 0 FGABMO c1cc(C[N@@H+]2Cc3cncn3C[C@@H](COCc3ccccn3)C2)cs1 ZINC000096217628 495007330 /nfs/dbraw/zinc/00/73/30/495007330.db2.gz GRFLHVUQAFRRPZ-KRWDZBQOSA-N 1 1 354.479 3.188 40 0 FGABMO CC[N@H+]1C[C@H](COC)[C@]2(CCN(C(=O)c3ccc4ccccc4c3)C2)C1 ZINC000096217549 495007342 /nfs/dbraw/zinc/00/73/42/495007342.db2.gz ZCZLFGFIWZYVEG-IFMALSPDSA-N 1 1 352.478 3.270 40 0 FGABMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)N4CCCC4)C3)C2)c1 ZINC000096215692 495007535 /nfs/dbraw/zinc/00/75/35/495007535.db2.gz SXZCZHWMJWKEMZ-OAQYLSRUSA-N 1 1 357.498 3.199 40 0 FGABMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096220962 495007633 /nfs/dbraw/zinc/00/76/33/495007633.db2.gz WIURPJCWKQABRS-SFHVURJKSA-N 1 1 357.523 3.399 40 0 FGABMO Cc1ccc(NC(=O)N2CCCn3cnc(C[NH+]4CCCC4)c3C2)cc1 ZINC000096259323 495008678 /nfs/dbraw/zinc/00/86/78/495008678.db2.gz ZFMSAHCPOOYONL-UHFFFAOYSA-N 1 1 353.470 3.225 40 0 FGABMO C[C@H]1CCC[N@@H+](CCCNC(=O)Cc2cccc(Br)c2)C1 ZINC000124626548 495318748 /nfs/dbraw/zinc/31/87/48/495318748.db2.gz PQNKGAGNSVTZGT-AWEZNQCLSA-N 1 1 353.304 3.230 40 0 FGABMO O=C(NC1CCC1)[C@H]1C[N@H+](Cc2cccc3ccccc32)Cc2cncn21 ZINC000247750905 496912693 /nfs/dbraw/zinc/91/26/93/496912693.db2.gz UGRLIOHVZQQONW-OAQYLSRUSA-N 1 1 360.461 3.262 40 0 FGABMO O=C(NC1CCC1)[C@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2cncn21 ZINC000247750905 496912698 /nfs/dbraw/zinc/91/26/98/496912698.db2.gz UGRLIOHVZQQONW-OAQYLSRUSA-N 1 1 360.461 3.262 40 0 FGABMO Cc1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOc2ccccn2)no1 ZINC000247913081 496927052 /nfs/dbraw/zinc/92/70/52/496927052.db2.gz LTXYBXPNZAJISM-QGZVFWFLSA-N 1 1 357.454 3.218 40 0 FGABMO COc1ccccc1C[NH+]1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000248121613 496956561 /nfs/dbraw/zinc/95/65/61/496956561.db2.gz FIRHTCAPLNMDCP-SFHVURJKSA-N 1 1 356.491 3.367 40 0 FGABMO Cc1ccsc1C[N@H+]1Cc2ccnn2C[C@H](OCc2cccnc2)C1 ZINC000253599376 497344401 /nfs/dbraw/zinc/34/44/01/497344401.db2.gz OYJFTYRYDMPUAD-GOSISDBHSA-N 1 1 354.479 3.249 40 0 FGABMO Cc1ccsc1C[N@@H+]1Cc2ccnn2C[C@H](OCc2cccnc2)C1 ZINC000253599376 497344406 /nfs/dbraw/zinc/34/44/06/497344406.db2.gz OYJFTYRYDMPUAD-GOSISDBHSA-N 1 1 354.479 3.249 40 0 FGABMO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000257214165 497392398 /nfs/dbraw/zinc/39/23/98/497392398.db2.gz CKWJALLVZCLRHM-OAHLLOKOSA-N 1 1 369.498 3.098 40 0 FGABMO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cn(C)cn3)C2)n1 ZINC000257253458 497395264 /nfs/dbraw/zinc/39/52/64/497395264.db2.gz JZADSOIQCJEWGG-CQSZACIVSA-N 1 1 369.498 3.098 40 0 FGABMO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cn(C)cn3)C2)n1 ZINC000257253458 497395270 /nfs/dbraw/zinc/39/52/70/497395270.db2.gz JZADSOIQCJEWGG-CQSZACIVSA-N 1 1 369.498 3.098 40 0 FGABMO Cc1c[nH]c(-c2cc(C[C@@H]3CCC[N@H+](Cc4cscn4)C3)ncn2)n1 ZINC000257267429 497396283 /nfs/dbraw/zinc/39/62/83/497396283.db2.gz MHHCDCIHQOIYSC-AWEZNQCLSA-N 1 1 354.483 3.086 40 0 FGABMO Cc1c[nH]c(-c2cc(C[C@@H]3CCC[N@@H+](Cc4cscn4)C3)ncn2)n1 ZINC000257267429 497396287 /nfs/dbraw/zinc/39/62/87/497396287.db2.gz MHHCDCIHQOIYSC-AWEZNQCLSA-N 1 1 354.483 3.086 40 0 FGABMO Cc1n[nH]cc1C[N@H+]1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000257267847 497396655 /nfs/dbraw/zinc/39/66/55/497396655.db2.gz MIZYZDLBHKUSCW-AWEZNQCLSA-N 1 1 369.498 3.163 40 0 FGABMO Cn1cnc(C[N@H+]2CCC[C@@H](Cc3cccc(Nc4ccccn4)n3)C2)c1 ZINC000257276139 497398032 /nfs/dbraw/zinc/39/80/32/497398032.db2.gz NSMMWMGXTDRRMW-KRWDZBQOSA-N 1 1 362.481 3.408 40 0 FGABMO CCCn1c2ccccc2nc1C[N@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2C ZINC000257278987 497398191 /nfs/dbraw/zinc/39/81/91/497398191.db2.gz OENHLQQMFXODCC-RBUKOAKNSA-N 1 1 354.498 3.422 40 0 FGABMO Cc1ccc(OCC2(O)CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)cc1 ZINC000257287621 497398867 /nfs/dbraw/zinc/39/88/67/497398867.db2.gz PQTBDKUJYWDMTR-UHFFFAOYSA-N 1 1 351.450 3.277 40 0 FGABMO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000257287005 497398935 /nfs/dbraw/zinc/39/89/35/497398935.db2.gz PNZUXHJEIBBVLL-QGZVFWFLSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1ncc(C[NH+](C)C)c([C@@H]2CCCN2C(=O)CCc2cccs2)n1 ZINC000257293692 497399131 /nfs/dbraw/zinc/39/91/31/497399131.db2.gz QQSZLQQVMYSZSQ-KRWDZBQOSA-N 1 1 358.511 3.204 40 0 FGABMO C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@H+]3C[C@H]3CCOC3)cc2N1 ZINC000257294175 497399853 /nfs/dbraw/zinc/39/98/53/497399853.db2.gz QSXDIHZYCFTLOZ-QHSBEEBCSA-N 1 1 358.408 3.364 40 0 FGABMO Cn1cc[nH+]c1C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257318125 497401887 /nfs/dbraw/zinc/40/18/87/497401887.db2.gz VMPPDVMTZJZHSZ-HNNXBMFYSA-N 1 1 365.433 3.443 40 0 FGABMO Cn1cc[nH+]c1C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257318125 497401890 /nfs/dbraw/zinc/40/18/90/497401890.db2.gz VMPPDVMTZJZHSZ-HNNXBMFYSA-N 1 1 365.433 3.443 40 0 FGABMO CCNC(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1ccc3c(c1)CCC3)CCO2 ZINC000306137769 498740556 /nfs/dbraw/zinc/74/05/56/498740556.db2.gz RFRMKGWINBHNMU-IRLDBZIGSA-N 1 1 371.525 3.008 40 0 FGABMO CCNC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1ccc3c(c1)CCC3)CCO2 ZINC000306137769 498740570 /nfs/dbraw/zinc/74/05/70/498740570.db2.gz RFRMKGWINBHNMU-IRLDBZIGSA-N 1 1 371.525 3.008 40 0 FGABMO COc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccoc4)C2)OC3)cc1 ZINC000306136009 498741127 /nfs/dbraw/zinc/74/11/27/498741127.db2.gz PGJSAWQUEOMXBW-OAQYLSRUSA-N 1 1 365.433 3.327 40 0 FGABMO Fc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccoc4)C2)OC3)c1 ZINC000306144847 498742194 /nfs/dbraw/zinc/74/21/94/498742194.db2.gz ZQEADNDTOSHAKX-HXUWFJFHSA-N 1 1 353.397 3.457 40 0 FGABMO COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CCN(C(=O)C(C)C)CC2 ZINC000585102718 507567731 /nfs/dbraw/zinc/56/77/31/507567731.db2.gz BQDLBOXOYTUKFA-INIZCTEOSA-N 1 1 350.528 3.091 40 0 FGABMO COCC[N@H+]1CCCC[C@@H]1C1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000585113264 507576371 /nfs/dbraw/zinc/57/63/71/507576371.db2.gz ZPGHRROGZASEBT-OAQYLSRUSA-N 1 1 358.526 3.277 40 0 FGABMO COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@](O)(c3ncccc3C)[C@@H]2C1 ZINC000036734767 204386412 /nfs/dbraw/zinc/38/64/12/204386412.db2.gz VITLRXRNPGWSJZ-LRXVAGHRSA-N 1 1 352.478 3.437 40 0 FGABMO O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1 ZINC000004237303 206171709 /nfs/dbraw/zinc/17/17/09/206171709.db2.gz LAYVXOUYQAARQE-LSDHHAIUSA-N 1 1 356.491 3.175 40 0 biogenic,in-vitro FGABMO Cc1nc(N[C@@H](CO)C(C)C)cc(N2CCc3cc(Cl)ccc3C2)[nH+]1 ZINC000329005902 132372276 /nfs/dbraw/zinc/37/22/76/132372276.db2.gz LAKSNVXRXIQUAP-KRWDZBQOSA-N 1 1 360.889 3.430 40 0 FGABMO COc1cccc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1OC ZINC000072343257 494154958 /nfs/dbraw/zinc/15/49/58/494154958.db2.gz FISKFECQXYAMAV-MJGOQNOKSA-N 1 1 352.434 3.247 40 0 FGABMO COc1cccc(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1OC ZINC000072343257 494154961 /nfs/dbraw/zinc/15/49/61/494154961.db2.gz FISKFECQXYAMAV-MJGOQNOKSA-N 1 1 352.434 3.247 40 0 FGABMO COc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000072359057 494156654 /nfs/dbraw/zinc/15/66/54/494156654.db2.gz WNLDLYYYEDREKV-KRWDZBQOSA-N 1 1 363.465 3.265 40 0 FGABMO CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355078 494157143 /nfs/dbraw/zinc/15/71/43/494157143.db2.gz CAWJNYJIIGRYBG-GOSISDBHSA-N 1 1 357.885 3.258 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3cncnc3)n2)cc1 ZINC000072377449 494159652 /nfs/dbraw/zinc/15/96/52/494159652.db2.gz RILKHPFTBLNJIY-IBGZPJMESA-N 1 1 362.437 3.356 40 0 FGABMO C[N@@H+](CCOc1ccccc1)Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392681 494161772 /nfs/dbraw/zinc/16/17/72/494161772.db2.gz AFLOOOCJHRYTFX-UHFFFAOYSA-N 1 1 359.433 3.302 40 0 FGABMO COc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1C[NH+](C)C ZINC000012240559 494217183 /nfs/dbraw/zinc/21/71/83/494217183.db2.gz HMEURGKQFNTTOF-UHFFFAOYSA-N 1 1 372.484 3.380 40 0 FGABMO C[C@H](C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)c1ccc(Cl)nc1 ZINC000012648462 494249699 /nfs/dbraw/zinc/24/96/99/494249699.db2.gz MGWWCDIQYDUZFF-TZMCWYRMSA-N 1 1 367.877 3.153 40 0 FGABMO C[C@H](C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)c1ccc(Cl)nc1 ZINC000012648462 494249705 /nfs/dbraw/zinc/24/97/05/494249705.db2.gz MGWWCDIQYDUZFF-TZMCWYRMSA-N 1 1 367.877 3.153 40 0 FGABMO O=c1ccc(-c2nc(C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)no2)c[nH]1 ZINC000019292878 494440999 /nfs/dbraw/zinc/44/09/99/494440999.db2.gz HDZQTPHQGGUYHY-UHFFFAOYSA-N 1 1 372.375 3.083 40 0 FGABMO O=c1cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(-c2cccs2)[nH]1 ZINC000019344643 494442437 /nfs/dbraw/zinc/44/24/37/494442437.db2.gz CFQORKXCLMEGQU-HNNXBMFYSA-N 1 1 352.463 3.273 40 0 FGABMO OC1(Cn2ccc3ncccc32)CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000019346459 494442599 /nfs/dbraw/zinc/44/25/99/494442599.db2.gz SEXQJDDGPQIYOV-UHFFFAOYSA-N 1 1 357.404 3.342 40 0 FGABMO CC1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@]23CCc2ccccc2C3=O)CC1 ZINC000019496016 494445839 /nfs/dbraw/zinc/44/58/39/494445839.db2.gz PUHLDULZHIVREK-JVCWNBPMSA-N 1 1 354.494 3.058 40 0 FGABMO CCN1CC[N@@H+](CC2CC2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527395 494448104 /nfs/dbraw/zinc/44/81/04/494448104.db2.gz LJIZRFPIKGGEBR-QFIPXVFZSA-N 1 1 363.505 3.481 40 0 FGABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000019570267 494449931 /nfs/dbraw/zinc/44/99/31/494449931.db2.gz GGOGGEZBXDLDLE-CYBMUJFWSA-N 1 1 373.407 3.450 40 0 FGABMO C[N@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)Cc1ccccn1 ZINC000019589150 494450993 /nfs/dbraw/zinc/45/09/93/494450993.db2.gz DQBYDCIPSHNQAJ-MQSCRBSSSA-N 1 1 363.505 3.493 40 0 FGABMO C[C@@]12CC[N@H+](Cc3ncc[nH]3)[C@@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713704 494456073 /nfs/dbraw/zinc/45/60/73/494456073.db2.gz WMFJDGKTRPOBFS-WIYYLYMNSA-N 1 1 370.472 3.485 40 0 FGABMO C[C@@]12CC[N@@H+](Cc3ncc[nH]3)[C@@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713704 494456077 /nfs/dbraw/zinc/45/60/77/494456077.db2.gz WMFJDGKTRPOBFS-WIYYLYMNSA-N 1 1 370.472 3.485 40 0 FGABMO Cc1[nH]c2c(c1CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)c(C)ccc2C ZINC000019716815 494457382 /nfs/dbraw/zinc/45/73/82/494457382.db2.gz KDRCLZSYKIQDDF-LJQANCHMSA-N 1 1 371.525 3.109 40 0 FGABMO c1ccc(-c2cc(NCC[NH+]3CCOCC3)n3c4ccccc4nc3n2)cc1 ZINC000020463414 494472938 /nfs/dbraw/zinc/47/29/38/494472938.db2.gz FLENOHKMPNDDNG-UHFFFAOYSA-N 1 1 373.460 3.294 40 0 FGABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000020483105 494475055 /nfs/dbraw/zinc/47/50/55/494475055.db2.gz ZPQANDOAHLTQJW-UHFFFAOYSA-N 1 1 361.854 3.313 40 0 FGABMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cn(C)c4ccccc34)O2)n1 ZINC000096040885 494998818 /nfs/dbraw/zinc/99/88/18/494998818.db2.gz FTZDXTJHUGYKRC-QRVBRYPASA-N 1 1 352.438 3.364 40 0 FGABMO Fc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC000096051183 494999439 /nfs/dbraw/zinc/99/94/39/494999439.db2.gz JCOWTHKQPIPDFA-GOSISDBHSA-N 1 1 362.399 3.353 40 0 FGABMO CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(F)cc3)O2)CC1 ZINC000096057540 495000118 /nfs/dbraw/zinc/00/01/18/495000118.db2.gz NDHCPQPCXHBVQP-VAMGGRTRSA-N 1 1 360.473 3.206 40 0 FGABMO O=C1C[C@@]2(CC[N@@H+](Cc3ccsc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050766 495000219 /nfs/dbraw/zinc/00/02/19/495000219.db2.gz HXLNDTYQYJXUSI-LJQANCHMSA-N 1 1 356.447 3.106 40 0 FGABMO CC(C)[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cccc4ncccc43)C2)C1 ZINC000096076227 495000652 /nfs/dbraw/zinc/00/06/52/495000652.db2.gz HFGZCIUEANNHLP-JOCHJYFZSA-N 1 1 367.493 3.198 40 0 FGABMO Cn1ccnc1C[NH+]1CCC2(CC1)c1ccccc1N(c1ccoc1)C2=O ZINC000096078947 495001317 /nfs/dbraw/zinc/00/13/17/495001317.db2.gz HPCOLTDGXYVKJX-UHFFFAOYSA-N 1 1 362.433 3.225 40 0 FGABMO Cc1cccc(C[N@H+]2CCC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)n1 ZINC000096107566 495001911 /nfs/dbraw/zinc/00/19/11/495001911.db2.gz PEKRHMVSXCGXLQ-PXNSSMCTSA-N 1 1 357.429 3.127 40 0 FGABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC000096158108 495005358 /nfs/dbraw/zinc/00/53/58/495005358.db2.gz CBVNYLKGROVINV-LJQANCHMSA-N 1 1 359.495 3.481 40 0 FGABMO O=C(CC(F)(F)F)N1CCC2(CCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000096158504 495005662 /nfs/dbraw/zinc/00/56/62/495005662.db2.gz FNRHWAZWFIWSNE-UHFFFAOYSA-N 1 1 355.404 3.239 40 0 FGABMO Cc1ccccc1C(=O)N1CCC2(C[C@@H](COCC3CC3)[N@@H+](C)C2)CC1 ZINC000096206683 495006247 /nfs/dbraw/zinc/00/62/47/495006247.db2.gz FVWVSLBFWNZJFD-IBGZPJMESA-N 1 1 356.510 3.348 40 0 FGABMO C[N@H+]1[C@H](COCC2CC2)CCC12CCN(C(=O)Cc1ccccc1)CC2 ZINC000096209499 495006491 /nfs/dbraw/zinc/00/64/91/495006491.db2.gz CFTRKCMIGUBMST-FQEVSTJZSA-N 1 1 356.510 3.111 40 0 FGABMO O=C(C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21)Nc1cccnc1 ZINC000096206085 495006716 /nfs/dbraw/zinc/00/67/16/495006716.db2.gz HUPFGFPTROPFFA-NXHRZFHOSA-N 1 1 357.479 3.009 40 0 FGABMO c1nn(CC2CC2)c2c1C[N@@H+](Cc1ccncc1)C[C@H]2COCC1CC1 ZINC000096198419 495006979 /nfs/dbraw/zinc/00/69/79/495006979.db2.gz UDWRDMXCFAHLOV-FQEVSTJZSA-N 1 1 352.482 3.214 40 0 FGABMO c1nn(CC2CC2)c2c1C[N@H+](Cc1ccncc1)C[C@H]2COCC1CC1 ZINC000096198419 495006983 /nfs/dbraw/zinc/00/69/83/495006983.db2.gz UDWRDMXCFAHLOV-FQEVSTJZSA-N 1 1 352.482 3.214 40 0 FGABMO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000096223430 495007432 /nfs/dbraw/zinc/00/74/32/495007432.db2.gz USTHHVVYJDPNIW-LPHOPBHVSA-N 1 1 358.511 3.106 40 0 FGABMO CN(C)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096215561 495007572 /nfs/dbraw/zinc/00/75/72/495007572.db2.gz UOORAPIJEPVMOM-SFHVURJKSA-N 1 1 353.869 3.449 40 0 FGABMO O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228787 495007709 /nfs/dbraw/zinc/00/77/09/495007709.db2.gz TWUDDKPEHOYNPH-JOCHJYFZSA-N 1 1 367.493 3.133 40 0 FGABMO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC000096226092 495007817 /nfs/dbraw/zinc/00/78/17/495007817.db2.gz RNHPNNPQRBIJBS-OAQYLSRUSA-N 1 1 373.472 3.243 40 0 FGABMO Fc1cccnc1N1CC[C@]2(C1)C[N@@H+](Cc1ccncc1)CCC2(F)F ZINC000096239649 495008673 /nfs/dbraw/zinc/00/86/73/495008673.db2.gz OJAOQTPDXIRCTQ-GOSISDBHSA-N 1 1 362.399 3.353 40 0 FGABMO Cc1ccc(C(=O)N2Cc3c(C[NH+]4CCCCC4)nn(C)c3C2)cc1C ZINC000096259127 495009137 /nfs/dbraw/zinc/00/91/37/495009137.db2.gz QBQXDVWITWBSTO-UHFFFAOYSA-N 1 1 352.482 3.179 40 0 FGABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)Cc2cccc(Br)c2)C1 ZINC000124626336 495318713 /nfs/dbraw/zinc/31/87/13/495318713.db2.gz PQNKGAGNSVTZGT-CQSZACIVSA-N 1 1 353.304 3.230 40 0 FGABMO COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@@](O)(c3ccc(C)cn3)[C@H]2C1 ZINC000247914310 496926801 /nfs/dbraw/zinc/92/68/01/496926801.db2.gz LPAQBXVYIBNNSL-JLMWRMLUSA-N 1 1 352.478 3.437 40 0 FGABMO Cc1ncsc1C[N@H+]1Cc2cccn2C[C@H](OCc2cccnc2)C1 ZINC000248001522 496940930 /nfs/dbraw/zinc/94/09/30/496940930.db2.gz CCAQIWRKJVKJJX-GOSISDBHSA-N 1 1 354.479 3.249 40 0 FGABMO Cc1ncsc1C[N@@H+]1Cc2cccn2C[C@H](OCc2cccnc2)C1 ZINC000248001522 496940932 /nfs/dbraw/zinc/94/09/32/496940932.db2.gz CCAQIWRKJVKJJX-GOSISDBHSA-N 1 1 354.479 3.249 40 0 FGABMO C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000248026313 496943953 /nfs/dbraw/zinc/94/39/53/496943953.db2.gz MGRSZRQDSWBLPG-SFHVURJKSA-N 1 1 360.473 3.036 40 0 FGABMO CC[NH+](CC)Cc1nc(C2(O)CCN(C(=O)CC(C)(C)C)CC2)cs1 ZINC000225464011 497064119 /nfs/dbraw/zinc/06/41/19/497064119.db2.gz NDHMFUIDOZBKSE-UHFFFAOYSA-N 1 1 367.559 3.231 40 0 biogenic,in-vitro FGABMO O=C(NCc1ccccn1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225577525 497067457 /nfs/dbraw/zinc/06/74/57/497067457.db2.gz NZBPQYCSYYZRBX-UHFFFAOYSA-N 1 1 361.848 3.403 40 0 FGABMO COC(=O)c1cccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC000225736649 497074167 /nfs/dbraw/zinc/07/41/67/497074167.db2.gz QTNVRJNUULBGQW-CQSZACIVSA-N 1 1 363.527 3.190 40 0 FGABMO c1coc(C[N@H+]2C[C@H]3CN([C@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595865 497343779 /nfs/dbraw/zinc/34/37/79/497343779.db2.gz JYWYAYBTUYRDFJ-JAXLGGSGSA-N 1 1 352.478 3.144 40 0 FGABMO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@H]3c3ccnc(N(C)C)c3)c2n1 ZINC000257315726 497402262 /nfs/dbraw/zinc/40/22/62/497402262.db2.gz VCNQGELTHOPSLB-SFHVURJKSA-N 1 1 350.470 3.144 40 0 FGABMO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@H]3c3ccnc(N(C)C)c3)c2n1 ZINC000257315726 497402265 /nfs/dbraw/zinc/40/22/65/497402265.db2.gz VCNQGELTHOPSLB-SFHVURJKSA-N 1 1 350.470 3.144 40 0 FGABMO Cc1cccc(C[N@H+]2CC[C@@H]3O[C@@](C)(COc4cccnc4)C[C@@H]3C2)n1 ZINC000257320324 497404307 /nfs/dbraw/zinc/40/43/07/497404307.db2.gz VWGPOMUIENMJOF-JRGCBEDISA-N 1 1 353.466 3.234 40 0 FGABMO CC(=O)Nc1nc(C)c(-c2cnc(C[C@H]3CC[N@H+](C(C)C)C3)cn2)s1 ZINC000257320526 497404350 /nfs/dbraw/zinc/40/43/50/497404350.db2.gz VXEYWNBWESFIQI-CQSZACIVSA-N 1 1 359.499 3.140 40 0 FGABMO Cc1nccc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)n1 ZINC000257344501 497405182 /nfs/dbraw/zinc/40/51/82/497405182.db2.gz ZXPUDJOZRGPDIQ-SFTDATJTSA-N 1 1 353.466 3.125 40 0 FGABMO CC(C)n1nccc1[C@@H]1C[N@@H+](Cc2cccs2)C[C@]12CCCN(C)C2=O ZINC000306125969 498736614 /nfs/dbraw/zinc/73/66/14/498736614.db2.gz DHRVQKOMLLPABK-FXAWDEMLSA-N 1 1 372.538 3.364 40 0 FGABMO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)s1 ZINC000306126654 498737755 /nfs/dbraw/zinc/73/77/55/498737755.db2.gz FBEAJFWYGRXSFO-INIZCTEOSA-N 1 1 368.510 3.177 40 0 FGABMO c1cc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccnc4)C2)OC3)cs1 ZINC000306132705 498738766 /nfs/dbraw/zinc/73/87/66/498738766.db2.gz LPQPYANUMWEXHS-LJQANCHMSA-N 1 1 352.463 3.182 40 0 FGABMO CC1=C[C@@H](C)[C@@H](C[N@@H+]2C[C@]3(F)CN(c4ccccn4)C(=O)[C@]3(F)C2)CC1 ZINC000306130654 498739016 /nfs/dbraw/zinc/73/90/16/498739016.db2.gz JMHKUIRWOUCULK-YAJHFMINSA-N 1 1 361.436 3.153 40 0 FGABMO CC1=C[C@@H](C)[C@@H](C[N@H+]2C[C@]3(F)CN(c4ccccn4)C(=O)[C@]3(F)C2)CC1 ZINC000306130654 498739024 /nfs/dbraw/zinc/73/90/24/498739024.db2.gz JMHKUIRWOUCULK-YAJHFMINSA-N 1 1 361.436 3.153 40 0 FGABMO Cc1cccc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 ZINC000306144427 498742378 /nfs/dbraw/zinc/74/23/78/498742378.db2.gz ZEUJQNNKQPHTSU-LJQANCHMSA-N 1 1 370.460 3.484 40 0 FGABMO COc1ccccc1C(=O)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408613040 499593112 /nfs/dbraw/zinc/59/31/12/499593112.db2.gz WRKTZPJBOAWZAK-IBGZPJMESA-N 1 1 350.462 3.358 40 0 FGABMO O=C1CC[C@@]2(CCC[N@@H+](CCc3ccccc3)CC2)N1C[C@@H]1CCCO1 ZINC000585099813 507566077 /nfs/dbraw/zinc/56/60/77/507566077.db2.gz CGEUGGZNMXRPFY-RBBKRZOGSA-N 1 1 356.510 3.255 40 0 FGABMO Cc1ccccc1C[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585103295 507568470 /nfs/dbraw/zinc/56/84/70/507568470.db2.gz AVDZGKXVEVGDOW-QHCPKHFHSA-N 1 1 364.489 3.246 40 0 FGABMO Cc1ccc(CN2CC3(C2)CC[C@H](C[N@H+](C)Cc2cccnc2)CO3)o1 ZINC000585104154 507569935 /nfs/dbraw/zinc/56/99/35/507569935.db2.gz GIXLPTZTDHERHG-LJQANCHMSA-N 1 1 355.482 3.096 40 0 FGABMO Cc1ccc2nc(CN3C(=O)C[C@H]4[C@@H]3CC[N@H+]4CC3CCCCC3)cn2c1 ZINC000585109135 507574970 /nfs/dbraw/zinc/57/49/70/507574970.db2.gz XTJLRBOWJXQJFN-PMACEKPBSA-N 1 1 366.509 3.398 40 0 FGABMO CCCC(CCC)[N@H+]1CC[C@H](O)[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284220 507584326 /nfs/dbraw/zinc/58/43/26/507584326.db2.gz VUNXRSYRIGEABM-OALUTQOASA-N 1 1 357.441 3.110 40 0 FGABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@H+]1Cc1ccnc2ccccc12 ZINC000585292253 507586938 /nfs/dbraw/zinc/58/69/38/507586938.db2.gz GKWVYDZYEABZCG-HMXCVIKNSA-N 1 1 368.864 3.209 40 0 FGABMO O=C(C[NH+]1CCCC1)Nc1ccc2c(c1)[C@H]1Oc3ccccc3C[C@H]1CO2 ZINC000001647765 204015783 /nfs/dbraw/zinc/01/57/83/204015783.db2.gz JTFHWXZWEXRSIO-AOMKIAJQSA-N 1 1 364.445 3.406 40 0 FGABMO Cc1ccc(C)c(O[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000013710470 204547618 /nfs/dbraw/zinc/54/76/18/204547618.db2.gz CMIUREIDYGBDJO-LJQANCHMSA-N 1 1 352.478 3.415 40 0 FGABMO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cnc(N(C)C)nc2)s1 ZINC000043277876 205102584 /nfs/dbraw/zinc/10/25/84/205102584.db2.gz XWSJKAQIPUBYQM-UHFFFAOYSA-N 1 1 370.526 3.202 40 0 FGABMO O=S(=O)(/C=C/c1ccccc1)N1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000085471087 205170146 /nfs/dbraw/zinc/17/01/46/205170146.db2.gz FVGHDYGGLUYMOC-OGEYELGLSA-N 1 1 368.502 3.336 40 0 FGABMO O=S(=O)(/C=C/c1ccccc1)N1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000085471087 205170152 /nfs/dbraw/zinc/17/01/52/205170152.db2.gz FVGHDYGGLUYMOC-OGEYELGLSA-N 1 1 368.502 3.336 40 0 FGABMO Fc1cccnc1OC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cccnc1)C2 ZINC000107712750 206022140 /nfs/dbraw/zinc/02/21/40/206022140.db2.gz GNMIMNDKCIYYLN-QUCCMNQESA-N 1 1 357.429 3.066 40 0 FGABMO CC(=O)Nc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169711 206087259 /nfs/dbraw/zinc/08/72/59/206087259.db2.gz ZHKLWWOKSPVZQN-KRWDZBQOSA-N 1 1 363.421 3.080 40 0 biogenic,in-vitro FGABMO Cn1c2ccc(C[N@H+](Cc3ccccc3)C[C@@H]3CCCO3)cc2n(C)c1=O ZINC000013993389 206306943 /nfs/dbraw/zinc/30/69/43/206306943.db2.gz SDOMACRRJBQABF-IBGZPJMESA-N 1 1 365.477 3.058 40 0 FGABMO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@@H+](CC2CCCCC2)C1 ZINC000015674970 206316080 /nfs/dbraw/zinc/31/60/80/206316080.db2.gz YBDJRSMKOUEFFK-CVEARBPZSA-N 1 1 371.437 3.153 40 0 biogenic,in-vitro FGABMO Cc1cc(N2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)nc(C)[nH+]1 ZINC000257201430 132294574 /nfs/dbraw/zinc/29/45/74/132294574.db2.gz AHRBKKYWJUNVBJ-KRWDZBQOSA-N 1 1 362.437 3.205 40 0 FGABMO Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c1C ZINC000024012989 132374152 /nfs/dbraw/zinc/37/41/52/132374152.db2.gz INDVVDWOSJXEJK-GOSISDBHSA-N 1 1 358.457 3.004 40 0 FGABMO C[NH+]1CCN(c2nc3c(c(-c4ccccc4F)n2)C(=O)c2ccccc2-3)CC1 ZINC000017076588 263372218 /nfs/dbraw/zinc/37/22/18/263372218.db2.gz AIMWWZJQQQPMFR-UHFFFAOYSA-N 1 1 374.419 3.246 40 0 FGABMO [NH3+][C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(Br)s1 ZINC000072228202 494145997 /nfs/dbraw/zinc/14/59/97/494145997.db2.gz GFOIUIWCUAXIQX-QWHCGFSZSA-N 1 1 355.232 3.061 40 0 FGABMO Cc1cc(C[N@@H+](C)Cc2ccc(OC(C)C)c(Cn3cccn3)c2)[nH]n1 ZINC000036752840 494097949 /nfs/dbraw/zinc/09/79/49/494097949.db2.gz YAGYXHQOMNNTQO-UHFFFAOYSA-N 1 1 353.470 3.382 40 0 FGABMO Cc1cc(C[N@H+](C)Cc2ccc(OC(C)C)c(Cn3cccn3)c2)[nH]n1 ZINC000036752840 494097952 /nfs/dbraw/zinc/09/79/52/494097952.db2.gz YAGYXHQOMNNTQO-UHFFFAOYSA-N 1 1 353.470 3.382 40 0 FGABMO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000072358326 494156762 /nfs/dbraw/zinc/15/67/62/494156762.db2.gz JSIVTGAPDOOQIR-QGZVFWFLSA-N 1 1 350.466 3.365 40 0 FGABMO Cn1cc(C[N@H+]2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)cn1 ZINC000072359051 494157662 /nfs/dbraw/zinc/15/76/62/494157662.db2.gz CHPOIXNMMGRVCX-KRWDZBQOSA-N 1 1 351.429 3.396 40 0 FGABMO COc1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1Cc1c(=O)[nH]c(C)nc1C3)CCC2 ZINC000072373031 494160055 /nfs/dbraw/zinc/16/00/55/494160055.db2.gz CBOOBMOXIDYEJA-ZWKOTPCHSA-N 1 1 365.477 3.120 40 0 FGABMO Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000072379042 494161067 /nfs/dbraw/zinc/16/10/67/494161067.db2.gz FOMCUSVEHYAASA-HNNXBMFYSA-N 1 1 367.478 3.360 40 0 FGABMO CCn1cc(CN2Cc3cc(C)ccc3OC3(CC[NH+](C)CC3)C2)c(C)n1 ZINC000072394188 494163398 /nfs/dbraw/zinc/16/33/98/494163398.db2.gz NGNQGHMVEWLKGJ-UHFFFAOYSA-N 1 1 368.525 3.379 40 0 FGABMO C[N@H+]1CCCC[C@@H]1CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 ZINC000012087838 494202746 /nfs/dbraw/zinc/20/27/46/494202746.db2.gz JURTYUODIDPURF-GOSISDBHSA-N 1 1 366.509 3.397 40 0 FGABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccncc2)C1)C1CC1 ZINC000012088840 494203672 /nfs/dbraw/zinc/20/36/72/494203672.db2.gz GMMVPSDXOXWZHS-IAGOWNOFSA-N 1 1 356.495 3.018 40 0 FGABMO CC(=O)N1Cc2ccccc2O[C@@H]([C@H]2CCC[N@@H+](Cc3ccncc3)C2)C1 ZINC000012135406 494207410 /nfs/dbraw/zinc/20/74/10/494207410.db2.gz XITMNRCWFXXLED-SIKLNZKXSA-N 1 1 365.477 3.103 40 0 FGABMO C[C@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013709783 494294307 /nfs/dbraw/zinc/29/43/07/494294307.db2.gz AMHAUGNNYFDGOI-INIZCTEOSA-N 1 1 358.869 3.452 40 0 FGABMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)n1 ZINC000019236244 494440050 /nfs/dbraw/zinc/44/00/50/494440050.db2.gz MJZFQPNJCCLTOY-LJQANCHMSA-N 1 1 361.449 3.263 40 0 FGABMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)n1 ZINC000019236244 494440052 /nfs/dbraw/zinc/44/00/52/494440052.db2.gz MJZFQPNJCCLTOY-LJQANCHMSA-N 1 1 361.449 3.263 40 0 FGABMO O=c1cc(-c2cccnc2)nc([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)[nH]1 ZINC000019340323 494441734 /nfs/dbraw/zinc/44/17/34/494441734.db2.gz VAGBXCDQHNZRLP-HNNXBMFYSA-N 1 1 368.387 3.100 40 0 FGABMO Fc1ccc(CN(CCC[NH+]2CCOCC2)Cc2cccnc2)c(F)c1 ZINC000019338582 494442481 /nfs/dbraw/zinc/44/24/81/494442481.db2.gz WSKYYTRCVJEHRM-UHFFFAOYSA-N 1 1 361.436 3.084 40 0 FGABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(-c2cccs2)[nH]1 ZINC000019339058 494442646 /nfs/dbraw/zinc/44/26/46/494442646.db2.gz MEIALXYGMXAQBS-OAHLLOKOSA-N 1 1 352.463 3.273 40 0 FGABMO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3cccc(OC)c3)C2)no1 ZINC000019503699 494445944 /nfs/dbraw/zinc/44/59/44/494445944.db2.gz VPQBSPWYCDOTHQ-MRXNPFEDSA-N 1 1 357.454 3.203 40 0 FGABMO CSCC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc2c(cc1Cl)OCO2 ZINC000019574025 494449944 /nfs/dbraw/zinc/44/99/44/494449944.db2.gz QTACSLQOFVWEAD-LSDHHAIUSA-N 1 1 368.930 3.470 40 0 FGABMO COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1Cn1nc(C)cc1C ZINC000019574410 494450384 /nfs/dbraw/zinc/45/03/84/494450384.db2.gz JRNXFJBOBMAFPX-NQIIRXRSSA-N 1 1 368.525 3.225 40 0 FGABMO Cc1cc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)c(C)s1 ZINC000019567993 494450427 /nfs/dbraw/zinc/45/04/27/494450427.db2.gz LXCKWZAVDJLEMR-UHFFFAOYSA-N 1 1 366.490 3.111 40 0 FGABMO Cc1nc(-c2cncnc2[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)no1 ZINC000019693791 494455072 /nfs/dbraw/zinc/45/50/72/494455072.db2.gz HEVZDHBFWWWYQR-AWEZNQCLSA-N 1 1 355.829 3.478 40 0 FGABMO c1cncc(COC[C@]23CCCO[C@@H]2CC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096040103 494997759 /nfs/dbraw/zinc/99/77/59/494997759.db2.gz PHLHKOLRWDDKET-NHCUHLMSSA-N 1 1 353.466 3.065 40 0 FGABMO Fc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC000096051184 494999420 /nfs/dbraw/zinc/99/94/20/494999420.db2.gz JCOWTHKQPIPDFA-SFHVURJKSA-N 1 1 362.399 3.353 40 0 FGABMO COc1ccc(CN2CCOC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062405 494999478 /nfs/dbraw/zinc/99/94/78/494999478.db2.gz HOGMRNNLBUQERZ-OAQYLSRUSA-N 1 1 372.534 3.481 40 0 FGABMO Cc1cccc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)n1 ZINC000096107333 495001821 /nfs/dbraw/zinc/00/18/21/495001821.db2.gz GRWRZZFCEQARGA-RTWAWAEBSA-N 1 1 353.466 3.125 40 0 FGABMO Cc1nc(COC[C@]23COC[C@H]2C[N@@H+](Cc2cccs2)C3)cs1 ZINC000096108905 495001933 /nfs/dbraw/zinc/00/19/33/495001933.db2.gz PZTGQGSWCORFCO-PBHICJAKSA-N 1 1 350.509 3.178 40 0 FGABMO Cc1ccc(C[N@H+]2Cc3cncn3C[C@H](COCc3ccccn3)C2)o1 ZINC000096209160 495006760 /nfs/dbraw/zinc/00/67/60/495006760.db2.gz XSVWQTVQBGHHTB-QGZVFWFLSA-N 1 1 352.438 3.028 40 0 FGABMO Cc1ccc(C[N@@H+]2Cc3cncn3C[C@H](COCc3ccccn3)C2)o1 ZINC000096209160 495006762 /nfs/dbraw/zinc/00/67/62/495006762.db2.gz XSVWQTVQBGHHTB-QGZVFWFLSA-N 1 1 352.438 3.028 40 0 FGABMO c1csc(C[N@@H+]2CCC[C@]3(C[C@H](OCC4CCOCC4)CO3)C2)c1 ZINC000096206785 495006841 /nfs/dbraw/zinc/00/68/41/495006841.db2.gz NIDYRTVIRQRXRG-HKUYNNGSSA-N 1 1 351.512 3.315 40 0 FGABMO O=C(CO[C@H]1CC[N@H+](C2CCC2)C[C@@H]1Cc1ccccc1)N1CCCC1 ZINC000096219067 495008035 /nfs/dbraw/zinc/00/80/35/495008035.db2.gz ABPDYNWBEKCWTA-FPOVZHCZSA-N 1 1 356.510 3.111 40 0 FGABMO Cc1nc(N(C)C)nc2c1COC[C@]21CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000096244438 495008777 /nfs/dbraw/zinc/00/87/77/495008777.db2.gz LVDHEOJOQXCURS-HXUWFJFHSA-N 1 1 372.900 3.178 40 0 FGABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@H]3C2)ccc1O ZINC000247913421 496926571 /nfs/dbraw/zinc/92/65/71/496926571.db2.gz VIWZXVCCPCEWEL-XERREHJYSA-N 1 1 357.425 3.270 40 0 FGABMO c1coc(C[N@H+]2C[C@@H]3CN([C@@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595866 497343890 /nfs/dbraw/zinc/34/38/90/497343890.db2.gz JYWYAYBTUYRDFJ-KCZVDYSFSA-N 1 1 352.478 3.144 40 0 FGABMO C[NH+](C)Cc1cncc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)n1 ZINC000257209214 497390942 /nfs/dbraw/zinc/39/09/42/497390942.db2.gz BPLCYLMOTJNCGR-FQEVSTJZSA-N 1 1 350.466 3.004 40 0 FGABMO CN(C)CC(=O)N1[C@@H]2CCCC[C@@H]3[N@@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257217854 497392262 /nfs/dbraw/zinc/39/22/62/497392262.db2.gz DAWYANVNWKJCHI-XANJAXJYSA-N 1 1 369.553 3.023 40 0 FGABMO Cc1csc(Nc2cc([C@H]3CCC[N@H+](Cc4c[nH]cn4)C3)nc(C)n2)n1 ZINC000257215226 497392328 /nfs/dbraw/zinc/39/23/28/497392328.db2.gz CPFAMRJSMYXFPJ-AWEZNQCLSA-N 1 1 369.498 3.396 40 0 FGABMO Cc1csc(Nc2cc([C@H]3CCC[N@@H+](Cc4c[nH]cn4)C3)nc(C)n2)n1 ZINC000257215226 497392331 /nfs/dbraw/zinc/39/23/31/497392331.db2.gz CPFAMRJSMYXFPJ-AWEZNQCLSA-N 1 1 369.498 3.396 40 0 FGABMO CC(C)(C)c1ccc2c(c1)[C@H]1O[C@H]3CC[N@H+](CC(N)=O)[C@H]3C[C@@H]1C(C)(C)O2 ZINC000257219505 497392457 /nfs/dbraw/zinc/39/24/57/497392457.db2.gz DHAFZFRQGAPRHN-ZTTFOMCMSA-N 1 1 372.509 3.161 40 0 FGABMO CC(C)(C)c1ccc2c(c1)[C@H]1O[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C[C@@H]1C(C)(C)O2 ZINC000257219505 497392458 /nfs/dbraw/zinc/39/24/58/497392458.db2.gz DHAFZFRQGAPRHN-ZTTFOMCMSA-N 1 1 372.509 3.161 40 0 FGABMO COc1cc(C[N@H+]2CCC3(CC(N(C)c4ccncn4)C3)C2)ccc1F ZINC000257228404 497393339 /nfs/dbraw/zinc/39/33/39/497393339.db2.gz FTRYBZZGQDHKDO-UHFFFAOYSA-N 1 1 356.445 3.115 40 0 FGABMO CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1ccnc(CNC(C)=O)c1 ZINC000257235224 497393478 /nfs/dbraw/zinc/39/34/78/497393478.db2.gz GWYHJJVSUAAIRU-HXUWFJFHSA-N 1 1 353.466 3.454 40 0 FGABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(CNC(C)=O)n2)cc1 ZINC000257243005 497395533 /nfs/dbraw/zinc/39/55/33/497395533.db2.gz IFDVNOYVLYGVRJ-OAQYLSRUSA-N 1 1 353.466 3.454 40 0 FGABMO CC(C)c1cc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@H+]3C)[nH]n1 ZINC000257298936 497400327 /nfs/dbraw/zinc/40/03/27/497400327.db2.gz RNYYUEVESRBJKK-MBOZVWFJSA-N 1 1 352.482 3.093 40 0 FGABMO CC(C)c1cc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@@H+]3C)n[nH]1 ZINC000257298936 497400332 /nfs/dbraw/zinc/40/03/32/497400332.db2.gz RNYYUEVESRBJKK-MBOZVWFJSA-N 1 1 352.482 3.093 40 0 FGABMO CC(C)c1cc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@H+]3C)n[nH]1 ZINC000257298936 497400335 /nfs/dbraw/zinc/40/03/35/497400335.db2.gz RNYYUEVESRBJKK-MBOZVWFJSA-N 1 1 352.482 3.093 40 0 FGABMO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cn(C)cn3)C2)n1 ZINC000257307391 497400410 /nfs/dbraw/zinc/40/04/10/497400410.db2.gz SYLBNFQSUIUMCN-INIZCTEOSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cn(C)cn3)C2)n1 ZINC000257307391 497400414 /nfs/dbraw/zinc/40/04/14/497400414.db2.gz SYLBNFQSUIUMCN-INIZCTEOSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1cccc(Nc2cc([C@H]3CCC[N@H+](Cc4c[nH]cn4)C3)nc(C)n2)n1 ZINC000257343789 497405457 /nfs/dbraw/zinc/40/54/57/497405457.db2.gz ZUKSYJJAQHOMGL-INIZCTEOSA-N 1 1 363.469 3.335 40 0 FGABMO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](CCNc3ncccn3)C2)s1 ZINC000306126655 498738011 /nfs/dbraw/zinc/73/80/11/498738011.db2.gz FBEAJFWYGRXSFO-MRXNPFEDSA-N 1 1 368.510 3.177 40 0 FGABMO Cc1ccc(S(=O)(=O)N2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408605664 499592790 /nfs/dbraw/zinc/59/27/90/499592790.db2.gz GJHDFSKCWBYSTN-FQEVSTJZSA-N 1 1 370.518 3.206 40 0 FGABMO Cc1ncc(C[N@H+]2CC[C@]23CCCN(C(=O)c2csc(C)n2)C3)s1 ZINC000585102259 507568133 /nfs/dbraw/zinc/56/81/33/507568133.db2.gz VSNLFXCLROSLJI-KRWDZBQOSA-N 1 1 362.524 3.097 40 0 FGABMO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)c2csc(C)n2)C3)s1 ZINC000585102259 507568142 /nfs/dbraw/zinc/56/81/42/507568142.db2.gz VSNLFXCLROSLJI-KRWDZBQOSA-N 1 1 362.524 3.097 40 0 FGABMO Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](C[N@H+]2CC2CCCCC2)C1 ZINC000585107963 507573855 /nfs/dbraw/zinc/57/38/55/507573855.db2.gz NGENNOOBWPBCDV-MOPGFXCFSA-N 1 1 362.539 3.270 40 0 FGABMO CC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 ZINC000585109709 507574825 /nfs/dbraw/zinc/57/48/25/507574825.db2.gz JXNIABPXOMXGNH-YHQLXQCYSA-N 1 1 356.510 3.488 40 0 FGABMO O[C@]1(COc2cc(F)cc(F)c2)COCC[N@H+](C2CCCCCC2)C1 ZINC000585281812 507584106 /nfs/dbraw/zinc/58/41/06/507584106.db2.gz BJYYKKWQQHNZBQ-IBGZPJMESA-N 1 1 355.425 3.130 40 0 FGABMO CC(C)[NH+]1CCN([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585290067 507586528 /nfs/dbraw/zinc/58/65/28/507586528.db2.gz RLORXFPSXUUUQI-IPMKNSEASA-N 1 1 352.906 3.027 40 0 FGABMO C[C@@]1(O)CC[N@@H+](CC2CCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289638 560032305 /nfs/dbraw/zinc/03/23/05/560032305.db2.gz ACSQKDBPRVHYTE-JAXLGGSGSA-N 1 1 356.510 3.269 40 0 biogenic,in-vitro FGABMO Cc1cc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)o1 ZINC000127444232 700761609 /nfs/dbraw/zinc/76/16/09/700761609.db2.gz AWXBJESYWMHIMD-AEFFLSMTSA-N 1 1 360.479 3.201 40 0 FGABMO CCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccccc1OC ZINC000004301912 204131256 /nfs/dbraw/zinc/13/12/56/204131256.db2.gz DXABGEFVYGHMFF-COPCDDAFSA-N 1 1 374.525 3.280 40 0 FGABMO CCCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccccc1OC ZINC000004301912 204131258 /nfs/dbraw/zinc/13/12/58/204131258.db2.gz DXABGEFVYGHMFF-COPCDDAFSA-N 1 1 374.525 3.280 40 0 FGABMO COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC(C)C)cc1OC ZINC000004354703 204136231 /nfs/dbraw/zinc/13/62/31/204136231.db2.gz KZJJWYRFBGEUAE-AYHJJNSGSA-N 1 1 360.498 3.475 40 0 FGABMO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[N@@H+](CCO)Cc1ccccc1 ZINC000006617275 204257632 /nfs/dbraw/zinc/25/76/32/204257632.db2.gz GLAIIEFQDDCTQE-VMBXEPDQSA-N 1 1 361.526 3.073 40 0 FGABMO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2CC(C)(C)C)n1 ZINC000035425002 204262221 /nfs/dbraw/zinc/26/22/21/204262221.db2.gz GDWKFANRQPHQMR-HNNXBMFYSA-N 1 1 360.458 3.340 40 0 biogenic,in-vitro FGABMO CCOc1cc2c(cc1C[NH+]1CCC(O)(c3ccc(F)cc3)CC1)OCO2 ZINC000012240657 204446027 /nfs/dbraw/zinc/44/60/27/204446027.db2.gz NOMFNPMWMYUNSF-UHFFFAOYSA-N 1 1 373.424 3.437 40 0 FGABMO COc1cccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2C(=O)N3)c1OC ZINC000019567709 204691724 /nfs/dbraw/zinc/69/17/24/204691724.db2.gz BZRSURDFVIIJIL-QFIPXVFZSA-N 1 1 366.461 3.025 40 0 FGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000038771986 205042860 /nfs/dbraw/zinc/04/28/60/205042860.db2.gz IQBGYURDMQZHJY-WEVVVXLNSA-N 1 1 361.401 3.239 40 0 FGABMO COc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038848935 205043679 /nfs/dbraw/zinc/04/36/79/205043679.db2.gz CTWPQEHQTBXFPK-IBGZPJMESA-N 1 1 370.468 3.405 40 0 FGABMO CCSc1ncc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)cn1 ZINC000043568736 205103794 /nfs/dbraw/zinc/10/37/94/205103794.db2.gz GUYINCAKCPFBFJ-PMACEKPBSA-N 1 1 368.550 3.480 40 0 FGABMO COCC[N@H+]1C[C@H]2CN(Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000107260156 206018122 /nfs/dbraw/zinc/01/81/22/206018122.db2.gz KTQCJPQBBIUQQF-FYYLOGMGSA-N 1 1 365.521 3.112 40 0 FGABMO Cc1cncc(C(=O)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccco4)[C@H]3C2)c1 ZINC000107746112 206022368 /nfs/dbraw/zinc/02/23/68/206022368.db2.gz ZYPHREITWGMBIL-FFZOFVMBSA-N 1 1 353.466 3.356 40 0 FGABMO Fc1ccc(OCc2nnc([C@H]3CC[N@@H+](Cc4ccccn4)C3)o2)cc1 ZINC000049170403 206086413 /nfs/dbraw/zinc/08/64/13/206086413.db2.gz SOAPWOQRGSBHTE-AWEZNQCLSA-N 1 1 354.385 3.172 40 0 biogenic,in-vitro FGABMO C[C@@H]1C[N@H+](C[C@@H](O)COCC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000226170449 206119109 /nfs/dbraw/zinc/11/91/09/206119109.db2.gz DKCREKPEBXMOPS-XQBPLPMBSA-N 1 1 369.505 3.305 40 0 FGABMO CC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019500602 206326435 /nfs/dbraw/zinc/32/64/35/206326435.db2.gz WLGOHIULZPTVTC-IBGZPJMESA-N 1 1 354.502 3.057 40 0 FGABMO CCOC[C@]1([NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218553981 206372332 /nfs/dbraw/zinc/37/23/32/206372332.db2.gz JXVIQCKIXQWPEJ-SQNIBIBYSA-N 1 1 365.882 3.014 40 0 FGABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)[C@@H]1CC12CCC2 ZINC000257276790 206614643 /nfs/dbraw/zinc/61/46/43/206614643.db2.gz NVCUABVEXFUXKS-LNLFQRSKSA-N 1 1 372.557 3.404 40 0 FGABMO C[C@@H]1Cc2cc([C@H](O)C[NH+]3CCN(c4ccccc4F)CC3)ccc2O1 ZINC000019498045 132888476 /nfs/dbraw/zinc/88/84/76/132888476.db2.gz NMLAPUOQBBSPBQ-FOIQADDNSA-N 1 1 356.441 3.005 40 0 FGABMO CC1(C)[C@H](OC[C@@H](O)C[N@@H+](CCO)Cc2ccccc2)[C@]2(C)CC[C@H]1C2 ZINC000002679800 493815236 /nfs/dbraw/zinc/81/52/36/493815236.db2.gz GLAIIEFQDDCTQE-BPBCIEFSSA-N 1 1 361.526 3.073 40 0 FGABMO COc1cccc(C[N@H+]2CCCC[C@H]3CN(C(=O)c4cccnc4)C[C@H]32)c1 ZINC000072330716 494152791 /nfs/dbraw/zinc/15/27/91/494152791.db2.gz LXUKOMJNVOYIFX-PZJWPPBQSA-N 1 1 365.477 3.217 40 0 FGABMO CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCC[N@@H+](Cc3ccncc3)C2)C1 ZINC000072334229 494153573 /nfs/dbraw/zinc/15/35/73/494153573.db2.gz ZJRWCPOKVKCGJJ-JOCHJYFZSA-N 1 1 365.477 3.166 40 0 FGABMO CCc1ncc(C[N@H+]2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000072340980 494154677 /nfs/dbraw/zinc/15/46/77/494154677.db2.gz RAEYJWJNGGKLRB-KPLVRAHFSA-N 1 1 367.493 3.167 40 0 FGABMO COCCOc1ccc(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)cc1 ZINC000072343279 494154887 /nfs/dbraw/zinc/15/48/87/494154887.db2.gz HFJSOHIMRVEYOZ-SFTDATJTSA-N 1 1 366.461 3.255 40 0 FGABMO COc1cccc(-c2cncc([C@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)n2)c1 ZINC000072359725 494157217 /nfs/dbraw/zinc/15/72/17/494157217.db2.gz UYNPNMCWFRSXOU-SFHVURJKSA-N 1 1 363.465 3.265 40 0 FGABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358878 494157359 /nfs/dbraw/zinc/15/73/59/494157359.db2.gz ZIGYRCIEHFJUDH-OAHLLOKOSA-N 1 1 358.873 3.065 40 0 FGABMO COCCC(=O)N1CCC[C@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)[nH+]1 ZINC000072372548 494159834 /nfs/dbraw/zinc/15/98/34/494159834.db2.gz SVNYZHBGUAACIH-SFHVURJKSA-N 1 1 369.469 3.240 40 0 FGABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](Cc4nc5ccccc5n4C)C[C@H]32)nc1 ZINC000072392563 494162090 /nfs/dbraw/zinc/16/20/90/494162090.db2.gz MUQCKFOSUDHFNA-JKSBSHDWSA-N 1 1 362.477 3.006 40 0 FGABMO O=c1cc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393041 494163205 /nfs/dbraw/zinc/16/32/05/494163205.db2.gz VKIBVPZSHLJXQV-KRWDZBQOSA-N 1 1 364.424 3.351 40 0 FGABMO Cc1ccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccco2)C3)cc1F ZINC000012114622 494205246 /nfs/dbraw/zinc/20/52/46/494205246.db2.gz PGDQGWJFOGDEGU-NYTJIUQPSA-N 1 1 358.413 3.180 40 0 FGABMO Cc1ccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccco2)C3)cc1F ZINC000012114622 494205249 /nfs/dbraw/zinc/20/52/49/494205249.db2.gz PGDQGWJFOGDEGU-NYTJIUQPSA-N 1 1 358.413 3.180 40 0 FGABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119167 494205808 /nfs/dbraw/zinc/20/58/08/494205808.db2.gz GXYNGJFWIHXDHZ-GOSISDBHSA-N 1 1 365.433 3.390 40 0 FGABMO COc1ccc(C)cc1C[N@H+]1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000014001514 494300429 /nfs/dbraw/zinc/30/04/29/494300429.db2.gz YXJNKCOOOKHNIR-QFIPXVFZSA-N 1 1 350.462 3.324 40 0 FGABMO Cc1ccc(C[N@H+]2CCC[C@@H](Cn3nnc(-c4ccncc4)n3)C2)cc1C ZINC000019213996 494438398 /nfs/dbraw/zinc/43/83/98/494438398.db2.gz NHDRSBVESGHADV-LJQANCHMSA-N 1 1 362.481 3.264 40 0 FGABMO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)n1 ZINC000019236245 494440058 /nfs/dbraw/zinc/44/00/58/494440058.db2.gz MJZFQPNJCCLTOY-IBGZPJMESA-N 1 1 361.449 3.263 40 0 FGABMO Cc1cccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)n1 ZINC000019236245 494440059 /nfs/dbraw/zinc/44/00/59/494440059.db2.gz MJZFQPNJCCLTOY-IBGZPJMESA-N 1 1 361.449 3.263 40 0 FGABMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000019500997 494446486 /nfs/dbraw/zinc/44/64/86/494446486.db2.gz CHIXBDMHCOEFCG-HNNXBMFYSA-N 1 1 360.479 3.130 40 0 FGABMO COc1cccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)c1OC ZINC000019567635 494450601 /nfs/dbraw/zinc/45/06/01/494450601.db2.gz SIVRPSKTRGKGGI-INIZCTEOSA-N 1 1 366.421 3.138 40 0 FGABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000019575934 494451063 /nfs/dbraw/zinc/45/10/63/494451063.db2.gz OTXJAWDMHUKOCI-SOUVJXGZSA-N 1 1 369.490 3.196 40 0 FGABMO COc1cccc(CN2CC[N@@H+](Cc3cccc4nccnc34)[C@@H](C)C2)c1 ZINC000019575652 494451775 /nfs/dbraw/zinc/45/17/75/494451775.db2.gz CTQCZSSCUFMVAJ-KRWDZBQOSA-N 1 1 362.477 3.345 40 0 FGABMO COc1cccc(C[N@@H+]2CCN(Cc3cccc4nccnc34)[C@@H](C)C2)c1 ZINC000019575652 494451780 /nfs/dbraw/zinc/45/17/80/494451780.db2.gz CTQCZSSCUFMVAJ-KRWDZBQOSA-N 1 1 362.477 3.345 40 0 FGABMO COc1cccc(C[N@H+]2CCN(Cc3cccc4nccnc34)[C@@H](C)C2)c1 ZINC000019575652 494451783 /nfs/dbraw/zinc/45/17/83/494451783.db2.gz CTQCZSSCUFMVAJ-KRWDZBQOSA-N 1 1 362.477 3.345 40 0 FGABMO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@H+]2Cc1ccc(N2CCCC2=O)cc1 ZINC000019712433 494456137 /nfs/dbraw/zinc/45/61/37/494456137.db2.gz VTZFAZUPEBKIAB-LEWJYISDSA-N 1 1 369.509 3.179 40 0 FGABMO CC[N@@H+](C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)CCOC)CC2)C1 ZINC000019712779 494456617 /nfs/dbraw/zinc/45/66/17/494456617.db2.gz UBKTYLVXCXAQGL-PMACEKPBSA-N 1 1 374.525 3.256 40 0 FGABMO C[N@@H+](CCNC(=O)c1cnn2c1nccc2-c1ccccc1)C1CCCC1 ZINC000019716830 494457053 /nfs/dbraw/zinc/45/70/53/494457053.db2.gz ZISUGAUDNDSXLY-UHFFFAOYSA-N 1 1 363.465 3.001 40 0 FGABMO Cn1cc(C[N@H+]2CC[C@@H](C(=O)Nc3ccccn3)C2)c2cc(F)ccc21 ZINC000019747810 494458941 /nfs/dbraw/zinc/45/89/41/494458941.db2.gz LSSPRMSZXMBMPR-CQSZACIVSA-N 1 1 352.413 3.173 40 0 FGABMO COCC[N@H+]1CC[C@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 ZINC000019753146 494460493 /nfs/dbraw/zinc/46/04/93/494460493.db2.gz AXEIGCIWLMXHPX-AWEZNQCLSA-N 1 1 374.872 3.126 40 0 FGABMO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(C(=O)c1cccs1)CC2 ZINC000096048027 494998277 /nfs/dbraw/zinc/99/82/77/494998277.db2.gz WJYATLGMCILVIR-HNNXBMFYSA-N 1 1 360.479 3.237 40 0 FGABMO O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2cccc3ccccc32)C1 ZINC000096041250 494998682 /nfs/dbraw/zinc/99/86/82/494998682.db2.gz REWXDUKUAZEIQJ-IOMROCGXSA-N 1 1 350.462 3.098 40 0 FGABMO CC(C)CNc1nc2c(cc1C(=O)N1CCCC1)CC[N@@H+](CC1CC1)CC2 ZINC000096059342 494999844 /nfs/dbraw/zinc/99/98/44/494999844.db2.gz XCBJUTJTORURBZ-UHFFFAOYSA-N 1 1 370.541 3.196 40 0 FGABMO O=C1C[C@@]2(CC[N@@H+](Cc3cccs3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050762 494999947 /nfs/dbraw/zinc/99/99/47/494999947.db2.gz QCOAGZUBGOURBJ-LJQANCHMSA-N 1 1 356.447 3.106 40 0 FGABMO Cc1ncsc1C[N@H+]1CCC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC000096209162 495006445 /nfs/dbraw/zinc/00/64/45/495006445.db2.gz DDKJPRPSNWADQS-HKUYNNGSSA-N 1 1 359.495 3.187 40 0 FGABMO Cc1cccc(C(=O)N2CCC3(C[C@H](COCC4CC4)[N@@H+](C)C3)CC2)c1 ZINC000096208957 495006777 /nfs/dbraw/zinc/00/67/77/495006777.db2.gz CVSOTSDPZXTWIP-HXUWFJFHSA-N 1 1 356.510 3.348 40 0 FGABMO Cc1ccccc1C(=O)N1CCC2(C[C@H](COCC3CC3)[N@@H+](C)C2)CC1 ZINC000096206682 495006834 /nfs/dbraw/zinc/00/68/34/495006834.db2.gz FVWVSLBFWNZJFD-LJQANCHMSA-N 1 1 356.510 3.348 40 0 FGABMO COc1ncccc1C[N@H+]1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC000096208916 495006850 /nfs/dbraw/zinc/00/68/50/495006850.db2.gz HLJPQKIVGWHNEO-CTNGQTDRSA-N 1 1 353.466 3.304 40 0 FGABMO O=C(c1cscn1)N1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216310 495007679 /nfs/dbraw/zinc/00/76/79/495007679.db2.gz CDPOYEQXXBJFPT-FQEVSTJZSA-N 1 1 371.506 3.150 40 0 FGABMO Cc1cccc(CN2CC[C@]3(CCC[N@@H+](Cc4cccs4)C3)C2=O)n1 ZINC000096224714 495007764 /nfs/dbraw/zinc/00/77/64/495007764.db2.gz MWNUBGQPFGXHDD-FQEVSTJZSA-N 1 1 355.507 3.466 40 0 FGABMO Cc1ccccc1NC(=O)N1CCCn2cnc(C[N@@H+](C)C(C)C)c2C1 ZINC000096259250 495008396 /nfs/dbraw/zinc/00/83/96/495008396.db2.gz SGYCZAGYQOOPRZ-UHFFFAOYSA-N 1 1 355.486 3.470 40 0 FGABMO Cc1ccccc1NC(=O)N1CCCn2cnc(C[N@H+](C)C(C)C)c2C1 ZINC000096259250 495008402 /nfs/dbraw/zinc/00/84/02/495008402.db2.gz SGYCZAGYQOOPRZ-UHFFFAOYSA-N 1 1 355.486 3.470 40 0 FGABMO COc1ccc(NC(=O)N2CCCn3cnc(C[N@H+](C)C(C)C)c3C2)cc1 ZINC000096259261 495008493 /nfs/dbraw/zinc/00/84/93/495008493.db2.gz LDDLQFGNWCQIRL-UHFFFAOYSA-N 1 1 371.485 3.170 40 0 FGABMO COc1ccc(NC(=O)N2CCCn3cnc(C[N@@H+](C)C(C)C)c3C2)cc1 ZINC000096259261 495008495 /nfs/dbraw/zinc/00/84/95/495008495.db2.gz LDDLQFGNWCQIRL-UHFFFAOYSA-N 1 1 371.485 3.170 40 0 FGABMO CC(=O)N1CCC2(CC1)C[C@H]([NH2+]Cc1ccccn1)c1ccccc1O2 ZINC000096242677 495008814 /nfs/dbraw/zinc/00/88/14/495008814.db2.gz CIDMROWUYABPDO-IBGZPJMESA-N 1 1 351.450 3.076 40 0 FGABMO COc1ccc2c3c1O[C@@]1(C)[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C)C2 ZINC000096316379 495009593 /nfs/dbraw/zinc/00/95/93/495009593.db2.gz HNGQYCCVBUYBHG-GPOGCTHYSA-N 1 1 367.489 3.326 40 0 biogenic,in-vitro FGABMO COc1ccc(CN2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000247886578 496925397 /nfs/dbraw/zinc/92/53/97/496925397.db2.gz LATIFVFCHPNAAX-GHTZIAJQSA-N 1 1 356.441 3.172 40 0 FGABMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(OC[C@H]3CCCO3)c2)C1 ZINC000247957512 496932379 /nfs/dbraw/zinc/93/23/79/496932379.db2.gz OGKGTIPNROVSPT-YADHBBJMSA-N 1 1 353.462 3.338 40 0 FGABMO CCC[C@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)n1nc(C)cc1C ZINC000248134858 496959972 /nfs/dbraw/zinc/95/99/72/496959972.db2.gz ODAHPCGHNCTOJI-UXHICEINSA-N 1 1 354.498 3.356 40 0 FGABMO CCC[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)n1nc(C)cc1C ZINC000248134858 496959977 /nfs/dbraw/zinc/95/99/77/496959977.db2.gz ODAHPCGHNCTOJI-UXHICEINSA-N 1 1 354.498 3.356 40 0 FGABMO Cc1ccc(/C=C/C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224707759 497052154 /nfs/dbraw/zinc/05/21/54/497052154.db2.gz JCVOJKQQBWQFEI-MDZDMXLPSA-N 1 1 350.462 3.157 40 0 FGABMO CN1c2cccnc2C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1CO ZINC000225496497 497065315 /nfs/dbraw/zinc/06/53/15/497065315.db2.gz LXIHEOPYGCQYGC-INIZCTEOSA-N 1 1 365.399 3.303 40 0 biogenic,in-vitro FGABMO COc1ccc(CC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1C ZINC000225846940 497077035 /nfs/dbraw/zinc/07/70/35/497077035.db2.gz HHQUXPZLWLENGW-UHFFFAOYSA-N 1 1 352.478 3.111 40 0 FGABMO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@H+](C3CCC3)CCN21 ZINC000253408935 497331675 /nfs/dbraw/zinc/33/16/75/497331675.db2.gz ZAQVXDXNMNKFKC-SFHVURJKSA-N 1 1 361.917 3.113 40 0 biogenic,in-vitro FGABMO C[C@H]1c2nc(CC(=O)NCCc3cccs3)cn2CC[N@H+]1CC1CCC1 ZINC000253590812 497344262 /nfs/dbraw/zinc/34/42/62/497344262.db2.gz FXYQLGRWXVGZIP-HNNXBMFYSA-N 1 1 372.538 3.023 40 0 FGABMO C[C@H]1c2nc(CC(=O)NCCc3cccs3)cn2CC[N@@H+]1CC1CCC1 ZINC000253590812 497344264 /nfs/dbraw/zinc/34/42/64/497344264.db2.gz FXYQLGRWXVGZIP-HNNXBMFYSA-N 1 1 372.538 3.023 40 0 FGABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)C(C)C)CCO3)c2)s1 ZINC000257205238 497390862 /nfs/dbraw/zinc/39/08/62/497390862.db2.gz AYEIEHPICCZEQA-INIZCTEOSA-N 1 1 360.483 3.454 40 0 FGABMO Cc1csc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000257214164 497391911 /nfs/dbraw/zinc/39/19/11/497391911.db2.gz CKWJALLVZCLRHM-HNNXBMFYSA-N 1 1 369.498 3.098 40 0 FGABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(NC)nc(C)n2)cc1CO ZINC000257226243 497393682 /nfs/dbraw/zinc/39/36/82/497393682.db2.gz FJUDNNDNGZFIQZ-SFHVURJKSA-N 1 1 356.470 3.055 40 0 FGABMO Cc1cccc(C(=O)N2CC[N@H+](C)C[C@@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257249854 497395578 /nfs/dbraw/zinc/39/55/78/497395578.db2.gz JJZYCXADESXXDG-LJQANCHMSA-N 1 1 374.488 3.185 40 0 FGABMO CC(C)CNC(=O)c1cnn2c1nccc2[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000306131092 498738354 /nfs/dbraw/zinc/73/83/54/498738354.db2.gz JWNUWSPDBARFHC-INIZCTEOSA-N 1 1 369.513 3.237 40 0 FGABMO CC(C)n1cnc([C@H]2C[N@H+](C3CCC3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306129317 498738813 /nfs/dbraw/zinc/73/88/13/498738813.db2.gz IAMHDMGPRYUSLX-NQIIRXRSSA-N 1 1 356.514 3.044 40 0 FGABMO C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)c2ccc(O)cc2)CC3)C1 ZINC000585103072 507568514 /nfs/dbraw/zinc/56/85/14/507568514.db2.gz CDAIHZRRAVLUQB-PXNSSMCTSA-N 1 1 372.509 3.135 40 0 FGABMO CCCC(CCC)[N@H+]1CC[C@H](O)[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585285912 507586812 /nfs/dbraw/zinc/58/68/12/507586812.db2.gz DXHUUSXATJVCAU-OALUTQOASA-N 1 1 357.441 3.110 40 0 FGABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@H+]1Cc1ccc2ncccc2c1 ZINC000585292980 507586991 /nfs/dbraw/zinc/58/69/91/507586991.db2.gz QMBMTHMLSHRPIV-HMXCVIKNSA-N 1 1 368.864 3.209 40 0 FGABMO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2cc(F)cc(F)c2F)C1 ZINC000626571953 571145718 /nfs/dbraw/zinc/14/57/18/571145718.db2.gz NJEXXPRVVCUGCU-VBNZEHGJSA-N 1 1 371.403 3.209 40 0 FGABMO COc1cccc(OC)c1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000038752260 205041301 /nfs/dbraw/zinc/04/13/01/205041301.db2.gz FNNGZZAYNIJTAX-UHFFFAOYSA-N 1 1 351.406 3.128 40 0 FGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCCN2CCc3ccccc32)cc1 ZINC000044907346 205114859 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40 0 FGABMO CCC[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3cccc(OC)c3)ccc1C(=O)N2C ZINC000514288716 560034086 /nfs/dbraw/zinc/03/40/86/560034086.db2.gz ARXQDQAASZAAME-CTNGQTDRSA-N 1 1 366.461 3.289 40 0 biogenic,in-vitro FGABMO C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)[C@H]1CCCC[N@H+]1C ZINC000001693014 204017532 /nfs/dbraw/zinc/01/75/32/204017532.db2.gz AYEXHPIWIMINEM-YLJYHZDGSA-N 1 1 353.462 3.339 40 0 FGABMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000005672808 204220992 /nfs/dbraw/zinc/22/09/92/204220992.db2.gz BSMSXZZANUSLQQ-GOEBONIOSA-N 1 1 351.288 3.443 40 0 FGABMO Cc1cccnc1[C@H](Cc1ccsc1)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000019237656 204673995 /nfs/dbraw/zinc/67/39/95/204673995.db2.gz HRBUQBKWEZHMNM-KRWDZBQOSA-N 1 1 353.495 3.381 40 0 FGABMO COc1cc(OC)cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC(C)C)c1 ZINC000004886582 206184064 /nfs/dbraw/zinc/18/40/64/206184064.db2.gz OPMDONYEAKDZQR-AYHJJNSGSA-N 1 1 360.498 3.475 40 0 FGABMO CCC[C@H](c1nnnn1C(C)(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019501846 206325632 /nfs/dbraw/zinc/32/56/32/206325632.db2.gz XESPENSQQYSNAD-GOSISDBHSA-N 1 1 356.518 3.087 40 0 FGABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 ZINC000000880493 493778163 /nfs/dbraw/zinc/77/81/63/493778163.db2.gz XXVZGWNHSCGMCT-YOFSQIOKSA-N 1 1 351.446 3.091 40 0 FGABMO CC(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000030943454 493914204 /nfs/dbraw/zinc/91/42/04/493914204.db2.gz XRKDXXFWGMHDQR-SFHVURJKSA-N 1 1 351.450 3.496 40 0 FGABMO C[C@H](C[N@H+]1C[C@@H]2C[C@@H](O)CN2C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000072325158 494151632 /nfs/dbraw/zinc/15/16/32/494151632.db2.gz SQWUEUFKJRLJIY-HGSOSGBHSA-N 1 1 350.506 3.152 40 0 FGABMO C[C@H](CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000072325158 494151634 /nfs/dbraw/zinc/15/16/34/494151634.db2.gz SQWUEUFKJRLJIY-HGSOSGBHSA-N 1 1 350.506 3.152 40 0 FGABMO C[C@H](CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000072325158 494151638 /nfs/dbraw/zinc/15/16/38/494151638.db2.gz SQWUEUFKJRLJIY-HGSOSGBHSA-N 1 1 350.506 3.152 40 0 FGABMO COCCOc1ccc(C[N@H+]2C[C@@H]3ON=C(c4cccc(C)c4)[C@H]3C2)cc1 ZINC000072343243 494154618 /nfs/dbraw/zinc/15/46/18/494154618.db2.gz ZJGKHUBLIFQSFF-SFTDATJTSA-N 1 1 366.461 3.255 40 0 FGABMO O=c1cc([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)nc(-c2ccncc2)[nH]1 ZINC000072392895 494161694 /nfs/dbraw/zinc/16/16/94/494161694.db2.gz CTKJMSDKTLCOEI-QGZVFWFLSA-N 1 1 364.424 3.351 40 0 FGABMO O=c1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393197 494163696 /nfs/dbraw/zinc/16/36/96/494163696.db2.gz QPNLPVLZBKFVLL-INIZCTEOSA-N 1 1 364.424 3.351 40 0 FGABMO CCc1[nH+]ccn1CC(=O)N[C@@H](Cc1ccsc1)c1nc(C)cs1 ZINC000012087896 494202574 /nfs/dbraw/zinc/20/25/74/494202574.db2.gz QCSCMIAONQOMRN-AWEZNQCLSA-N 1 1 360.508 3.372 40 0 FGABMO CC(C)C(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000012089233 494203626 /nfs/dbraw/zinc/20/36/26/494203626.db2.gz KWTNRZXSRYNGQH-DLBZAZTESA-N 1 1 358.511 3.264 40 0 FGABMO C[C@@H](O)C[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000012116727 494206129 /nfs/dbraw/zinc/20/61/29/494206129.db2.gz YHLUIRGDFGGDKK-OAHLLOKOSA-N 1 1 365.433 3.188 40 0 FGABMO COc1cc2c(cc1C[N@H+](Cc1ccc3c(c1)OCO3)C[C@H](C)O)CCC2 ZINC000012185859 494211951 /nfs/dbraw/zinc/21/19/51/494211951.db2.gz MCMYXBLXUSDLMW-HNNXBMFYSA-N 1 1 369.461 3.296 40 0 FGABMO OC1(c2ccccc2F)CC[NH+](Cc2cnc(N3CCCCC3)nc2)CC1 ZINC000012240457 494216702 /nfs/dbraw/zinc/21/67/02/494216702.db2.gz VZOFNSFODIYKKD-UHFFFAOYSA-N 1 1 370.472 3.090 40 0 FGABMO COc1ccc2c(c1)c(C[N@H+]1CC[C@@H](c3ccccc3)C1)cn2CC(N)=O ZINC000012363916 494226520 /nfs/dbraw/zinc/22/65/20/494226520.db2.gz NOPUAROMQXEKLT-QGZVFWFLSA-N 1 1 363.461 3.125 40 0 FGABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)c1 ZINC000019129302 494435802 /nfs/dbraw/zinc/43/58/02/494435802.db2.gz UGGGVFRPNXKEGM-INIZCTEOSA-N 1 1 351.454 3.008 40 0 FGABMO Cc1nccn1CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2cccnc21 ZINC000019287785 494439143 /nfs/dbraw/zinc/43/91/43/494439143.db2.gz CUIWBETZPMKSSG-RLAPIPATSA-N 1 1 362.477 3.298 40 0 FGABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000019287894 494440013 /nfs/dbraw/zinc/44/00/13/494440013.db2.gz RRECFFZRTPKRRH-UHFFFAOYSA-N 1 1 373.522 3.189 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nn(C)c4ncccc34)C2)cc1OC ZINC000019289488 494440857 /nfs/dbraw/zinc/44/08/57/494440857.db2.gz IMHBPDVEGVKDBL-MRXNPFEDSA-N 1 1 366.465 3.365 40 0 FGABMO Fc1cccc(CN(CCC[NH+]2CCOCC2)Cc2cccnc2)c1F ZINC000019292680 494441096 /nfs/dbraw/zinc/44/10/96/494441096.db2.gz AXFZSMWUVSZMPF-UHFFFAOYSA-N 1 1 361.436 3.084 40 0 FGABMO CC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)no2)CC1 ZINC000019496765 494445911 /nfs/dbraw/zinc/44/59/11/494445911.db2.gz ATZHSUPEYOFJPT-SFHVURJKSA-N 1 1 368.481 3.321 40 0 FGABMO CCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019503676 494446332 /nfs/dbraw/zinc/44/63/32/494446332.db2.gz MQXUAGVUEFNOBT-AWEZNQCLSA-N 1 1 363.408 3.472 40 0 FGABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019503676 494446335 /nfs/dbraw/zinc/44/63/35/494446335.db2.gz MQXUAGVUEFNOBT-AWEZNQCLSA-N 1 1 363.408 3.472 40 0 FGABMO C[C@H]1CCCC[N@H+]1CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 ZINC000019496338 494446405 /nfs/dbraw/zinc/44/64/05/494446405.db2.gz BBLAZTQPRHNJLW-INIZCTEOSA-N 1 1 366.509 3.397 40 0 FGABMO CCOc1cc(C[N@H+]2CCC[C@H](c3nc(C)c(C)c(=O)[nH]3)C2)ccc1OC ZINC000019531992 494447171 /nfs/dbraw/zinc/44/71/71/494447171.db2.gz UGDLQTLXGZAOKX-KRWDZBQOSA-N 1 1 371.481 3.174 40 0 FGABMO CCc1ccc(C[N@@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1 ZINC000019522898 494447267 /nfs/dbraw/zinc/44/72/67/494447267.db2.gz RNTMGUJUFIPTSR-UHFFFAOYSA-N 1 1 366.509 3.127 40 0 FGABMO CCc1ccc(C[N@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1 ZINC000019522898 494447272 /nfs/dbraw/zinc/44/72/72/494447272.db2.gz RNTMGUJUFIPTSR-UHFFFAOYSA-N 1 1 366.509 3.127 40 0 FGABMO CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3N2CCOCC2)cc1OC ZINC000019533703 494448817 /nfs/dbraw/zinc/44/88/17/494448817.db2.gz JALYWSCHUIYOPH-QIDMFYOTSA-N 1 1 374.525 3.027 40 0 FGABMO CCOc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCOCC2)cc1OC ZINC000019533703 494448820 /nfs/dbraw/zinc/44/88/20/494448820.db2.gz JALYWSCHUIYOPH-QIDMFYOTSA-N 1 1 374.525 3.027 40 0 FGABMO COc1ccccc1C(=O)N1C[C@H]2CC[C@@H](CC1=O)[N@H+]2Cc1ccccc1 ZINC000019568571 494450167 /nfs/dbraw/zinc/45/01/67/494450167.db2.gz PXURSLVMHIZNTH-ZWKOTPCHSA-N 1 1 364.445 3.101 40 0 FGABMO COc1cc(C)c(C[N@H+]2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1C ZINC000019567310 494450660 /nfs/dbraw/zinc/45/06/60/494450660.db2.gz AOMCKCOQWUQXMQ-MRXNPFEDSA-N 1 1 365.481 3.368 40 0 FGABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000019575268 494451570 /nfs/dbraw/zinc/45/15/70/494451570.db2.gz ZIENODVQWPXTOT-BPLDGKMQSA-N 1 1 364.848 3.378 40 0 FGABMO CCOc1ccc(C[N@H+]2CCCCC[C@@H]3[C@@H]2CCN3C(C)=O)cc1OC ZINC000019712313 494456454 /nfs/dbraw/zinc/45/64/54/494456454.db2.gz SHNHPZRFCPVAHL-RBUKOAKNSA-N 1 1 360.498 3.459 40 0 FGABMO C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCCN2C(=O)c1ccn[nH]1 ZINC000019713451 494456574 /nfs/dbraw/zinc/45/65/74/494456574.db2.gz AIZKIYIXACMRKF-LMNJBCLMSA-N 1 1 352.482 3.158 40 0 FGABMO CCCc1ncc(CN(Cc2ccccn2)C[C@H]2CCC[N@H+]2CC)cn1 ZINC000023247790 494558554 /nfs/dbraw/zinc/55/85/54/494558554.db2.gz DJUURZSDQCILRU-HXUWFJFHSA-N 1 1 353.514 3.311 40 0 FGABMO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccc(F)cc2)n1 ZINC000096056637 494999387 /nfs/dbraw/zinc/99/93/87/494999387.db2.gz VYPBGVQPCLQZDK-WOJBJXKFSA-N 1 1 353.441 3.295 40 0 FGABMO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096059943 494999854 /nfs/dbraw/zinc/99/98/54/494999854.db2.gz BKXROGAKOOIUFN-LJQANCHMSA-N 1 1 355.482 3.438 40 0 FGABMO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096059943 494999858 /nfs/dbraw/zinc/99/98/58/494999858.db2.gz BKXROGAKOOIUFN-LJQANCHMSA-N 1 1 355.482 3.438 40 0 FGABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)s1 ZINC000096057947 495000135 /nfs/dbraw/zinc/00/01/35/495000135.db2.gz BXPFGIGCQUQSDX-IPMKNSEASA-N 1 1 351.512 3.232 40 0 FGABMO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096048625 495000261 /nfs/dbraw/zinc/00/02/61/495000261.db2.gz UVQJPEYUAQYYPN-OAQYLSRUSA-N 1 1 353.441 3.235 40 0 FGABMO Cc1ccsc1C[N@H+]1CC[C@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000096065493 495000907 /nfs/dbraw/zinc/00/09/07/495000907.db2.gz SUCXTXDTVQHTOX-XIRDDKMYSA-N 1 1 357.479 3.070 40 0 FGABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC000096158109 495005975 /nfs/dbraw/zinc/00/59/75/495005975.db2.gz CBVNYLKGROVINV-IBGZPJMESA-N 1 1 359.495 3.481 40 0 FGABMO Cc1csc(C[N@H+]2CC[C@H]3OCC[C@@]3(COCc3ccncc3)C2)n1 ZINC000096208746 495006266 /nfs/dbraw/zinc/00/62/66/495006266.db2.gz REYQGDSBXPKKAZ-MJGOQNOKSA-N 1 1 359.495 3.044 40 0 FGABMO O=C(NC1CC1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccc3ccccc32)O1 ZINC000096186966 495006569 /nfs/dbraw/zinc/00/65/69/495006569.db2.gz YEZSOACBVNDTGF-NJYVYQBISA-N 1 1 350.462 3.240 40 0 FGABMO O=C(N[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1)c1ccccc1 ZINC000096208274 495006709 /nfs/dbraw/zinc/00/67/09/495006709.db2.gz GLSRILFUASFUSD-UYAOXDASSA-N 1 1 356.491 3.302 40 0 FGABMO CC(C)CNC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccc(C(C)C)cc3)C2)C1 ZINC000096225470 495007321 /nfs/dbraw/zinc/00/73/21/495007321.db2.gz KGEIRWBLXKZFOB-OAQYLSRUSA-N 1 1 357.498 3.303 40 0 FGABMO CCOC[C@H]1CCC2(CCN(C(=O)CCc3ccccc3C)CC2)[N@H+]1C ZINC000096215250 495007347 /nfs/dbraw/zinc/00/73/47/495007347.db2.gz PUYPOYZLMXDQIJ-HXUWFJFHSA-N 1 1 358.526 3.420 40 0 FGABMO CC[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228864 495007693 /nfs/dbraw/zinc/00/76/93/495007693.db2.gz YIPRWLTUCGKHDD-JOCHJYFZSA-N 1 1 367.493 3.052 40 0 FGABMO CC[N@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)c3ccc4ccccc4c3)C2)C1 ZINC000096220028 495008005 /nfs/dbraw/zinc/00/80/05/495008005.db2.gz ZCZLFGFIWZYVEG-RBBKRZOGSA-N 1 1 352.478 3.270 40 0 FGABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ccc(C)c(C)c1)C2 ZINC000096217900 495008031 /nfs/dbraw/zinc/00/80/31/495008031.db2.gz NBTIUMSTPLLYGQ-IFMALSPDSA-N 1 1 356.510 3.124 40 0 FGABMO FC1(F)CCN(Cc2cccnc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000096239798 495008762 /nfs/dbraw/zinc/00/87/62/495008762.db2.gz IHKOBDGAENJKPJ-IBGZPJMESA-N 1 1 358.436 3.210 40 0 FGABMO Fc1cccnc1N1CC[C@@]2(C1)C[N@@H+](Cc1ccccn1)CCC2(F)F ZINC000096239641 495009065 /nfs/dbraw/zinc/00/90/65/495009065.db2.gz QVFVCMWUJIGJJJ-SFHVURJKSA-N 1 1 362.399 3.353 40 0 FGABMO Cc1ccc(C)c(C[NH+]2CC3(C2)OCC[C@@H]3CCNC(=O)CC2CC2)c1 ZINC000247953595 496932344 /nfs/dbraw/zinc/93/23/44/496932344.db2.gz YZAFFNYDWYGPDY-FQEVSTJZSA-N 1 1 356.510 3.201 40 0 FGABMO C[N@H+](Cc1ccco1)C[C@@H]1CCC2(CN(C(=O)c3ccccc3F)C2)OC1 ZINC000248110115 496955000 /nfs/dbraw/zinc/95/50/00/496955000.db2.gz KAQUESWBTISWSB-INIZCTEOSA-N 1 1 372.440 3.172 40 0 FGABMO C[C@H]1Cc2cc(CCC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)ccc2O1 ZINC000248158270 496965830 /nfs/dbraw/zinc/96/58/30/496965830.db2.gz WJXSYKGGGGYWMU-UWJYYQICSA-N 1 1 364.489 3.458 40 0 FGABMO C[C@H]1Cc2cc(CCC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)ccc2O1 ZINC000248158270 496965831 /nfs/dbraw/zinc/96/58/31/496965831.db2.gz WJXSYKGGGGYWMU-UWJYYQICSA-N 1 1 364.489 3.458 40 0 FGABMO CC(C)C(=O)NCC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000248169879 496968213 /nfs/dbraw/zinc/96/82/13/496968213.db2.gz RJLSFOYPHGEQSV-QGZVFWFLSA-N 1 1 365.481 3.084 40 0 FGABMO CC(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000248169879 496968217 /nfs/dbraw/zinc/96/82/17/496968217.db2.gz RJLSFOYPHGEQSV-QGZVFWFLSA-N 1 1 365.481 3.084 40 0 FGABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1cc(C)cc(C)c1 ZINC000224197225 497048332 /nfs/dbraw/zinc/04/83/32/497048332.db2.gz VDNQULFEGKOGFH-UHFFFAOYSA-N 1 1 368.477 3.279 40 0 FGABMO Cc1c[nH]c(-c2cc([C@@H]3CCC[N@H+](Cc4cscn4)C3)nc(C)n2)n1 ZINC000257226338 497393421 /nfs/dbraw/zinc/39/34/21/497393421.db2.gz FKGSOQAYHBWHCG-CQSZACIVSA-N 1 1 354.483 3.320 40 0 FGABMO Cc1c[nH]c(-c2cc([C@@H]3CCC[N@@H+](Cc4cscn4)C3)nc(C)n2)n1 ZINC000257226338 497393423 /nfs/dbraw/zinc/39/34/23/497393423.db2.gz FKGSOQAYHBWHCG-CQSZACIVSA-N 1 1 354.483 3.320 40 0 FGABMO Cc1ncsc1C[N@H+]1CCC[C@@H](c2cnc(Nc3cnccn3)cn2)C1 ZINC000257256846 497396835 /nfs/dbraw/zinc/39/68/35/497396835.db2.gz KNCNYDUBUCIKQL-CQSZACIVSA-N 1 1 367.482 3.155 40 0 FGABMO Cc1c[nH]c(-c2cnc(CC3CC[NH+](Cc4cscn4)CC3)cn2)n1 ZINC000257291452 497399065 /nfs/dbraw/zinc/39/90/65/497399065.db2.gz QHABSYTUGXILCD-UHFFFAOYSA-N 1 1 354.483 3.086 40 0 FGABMO CNc1cc([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)ccn1 ZINC000257284672 497399480 /nfs/dbraw/zinc/39/94/80/497399480.db2.gz PDTFFNSZCBNSBM-QGZVFWFLSA-N 1 1 355.486 3.240 40 0 FGABMO Cc1csc(Nc2cc([C@@H]3CCC[N@H+](Cc4cc[nH]n4)C3)nc(C)n2)n1 ZINC000257284615 497399523 /nfs/dbraw/zinc/39/95/23/497399523.db2.gz PDMJJDWFLMXVNG-CQSZACIVSA-N 1 1 369.498 3.396 40 0 FGABMO Cc1csc(Nc2cc([C@@H]3CCC[N@@H+](Cc4cc[nH]n4)C3)nc(C)n2)n1 ZINC000257284615 497399528 /nfs/dbraw/zinc/39/95/28/497399528.db2.gz PDMJJDWFLMXVNG-CQSZACIVSA-N 1 1 369.498 3.396 40 0 FGABMO c1ccc(CC[N@@H+]2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)cc1 ZINC000257303332 497400563 /nfs/dbraw/zinc/40/05/63/497400563.db2.gz SGUAMCSAKRJCFM-LJQANCHMSA-N 1 1 361.449 3.231 40 0 FGABMO c1ccc(CC[N@H+]2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)cc1 ZINC000257303332 497400570 /nfs/dbraw/zinc/40/05/70/497400570.db2.gz SGUAMCSAKRJCFM-LJQANCHMSA-N 1 1 361.449 3.231 40 0 FGABMO c1ccc(CC[N@@H+]2CCO[C@H](c3cccc(Nc4ncccn4)n3)C2)cc1 ZINC000257303331 497400770 /nfs/dbraw/zinc/40/07/70/497400770.db2.gz SGUAMCSAKRJCFM-IBGZPJMESA-N 1 1 361.449 3.231 40 0 FGABMO c1ccc(CC[N@H+]2CCO[C@H](c3cccc(Nc4ncccn4)n3)C2)cc1 ZINC000257303331 497400772 /nfs/dbraw/zinc/40/07/72/497400772.db2.gz SGUAMCSAKRJCFM-IBGZPJMESA-N 1 1 361.449 3.231 40 0 FGABMO CC(=O)Nc1nc(C)c(-c2cnc([C@H]3CCC[N@H+](C(C)C)C3)cn2)s1 ZINC000257320163 497402436 /nfs/dbraw/zinc/40/24/36/497402436.db2.gz VVPJLWOEMAISSZ-AWEZNQCLSA-N 1 1 359.499 3.455 40 0 FGABMO Cc1ncc(-c2nccnc2[C@H]2CCC[N@H+](Cc3cscn3)C2)n1C ZINC000257317017 497402627 /nfs/dbraw/zinc/40/26/27/497402627.db2.gz VHZZVQRNOXFYSN-AWEZNQCLSA-N 1 1 354.483 3.022 40 0 FGABMO Cc1ncc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3cscn3)C2)n1C ZINC000257317017 497402630 /nfs/dbraw/zinc/40/26/30/497402630.db2.gz VHZZVQRNOXFYSN-AWEZNQCLSA-N 1 1 354.483 3.022 40 0 FGABMO Cc1noc(C)c1CN1C[C@@]2(CCC[N@H+]([C@@H](C)c3ccccc3)C2)C1=O ZINC000585099409 507566109 /nfs/dbraw/zinc/56/61/09/507566109.db2.gz ILEJYFKDIYPCKY-KKSFZXQISA-N 1 1 353.466 3.477 40 0 FGABMO COC[C@H]1C[N@@H+](Cc2cccs2)CC12CCN(C(=O)C(C)C)CC2 ZINC000585102719 507568585 /nfs/dbraw/zinc/56/85/85/507568585.db2.gz BQDLBOXOYTUKFA-MRXNPFEDSA-N 1 1 350.528 3.091 40 0 FGABMO Cc1ncc(-c2nccnc2C2CC[NH+](Cc3cscn3)CC2)n1C ZINC000585179608 507579622 /nfs/dbraw/zinc/57/96/22/507579622.db2.gz BOVNFIPZGBDUNS-UHFFFAOYSA-N 1 1 354.483 3.022 40 0 FGABMO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)cn1 ZINC000257279563 524666522 /nfs/dbraw/zinc/66/65/22/524666522.db2.gz OHFVNQMMYIAGEL-IBGZPJMESA-N 1 1 358.507 3.248 40 0 FGABMO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)cn1 ZINC000257279563 524666529 /nfs/dbraw/zinc/66/65/29/524666529.db2.gz OHFVNQMMYIAGEL-IBGZPJMESA-N 1 1 358.507 3.248 40 0 FGABMO O=C(Nc1ccc2c(c1)OCO2)N1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000085471089 527289464 /nfs/dbraw/zinc/28/94/64/527289464.db2.gz ANTDGYGSQIJYEN-HDICACEKSA-N 1 1 365.433 3.296 40 0 FGABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1ccccc1 ZINC000224367224 570986723 /nfs/dbraw/zinc/98/67/23/570986723.db2.gz DLACJEZJKJUKMA-UHFFFAOYSA-N 1 1 368.477 3.442 40 0 FGABMO C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)[C@@H]1CCCC[N@H+]1C ZINC000005065140 204189133 /nfs/dbraw/zinc/18/91/33/204189133.db2.gz AYEXHPIWIMINEM-PXNSSMCTSA-N 1 1 353.462 3.339 40 0 FGABMO Fc1ccc(C[NH+]2CCC(c3noc(-c4cnccn4)n3)CC2)cc1F ZINC000012337348 204453869 /nfs/dbraw/zinc/45/38/69/204453869.db2.gz SMVVAIOUOXKAQP-UHFFFAOYSA-N 1 1 357.364 3.184 40 0 FGABMO C[C@@H](Sc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276310 205146145 /nfs/dbraw/zinc/14/61/45/205146145.db2.gz PBSMTUQTMUUKEV-QGZVFWFLSA-N 1 1 370.518 3.316 40 0 FGABMO O=c1cc(CCC[NH+]2CCOCC2)[nH]c2cc(-c3cccc(Cl)c3)nn21 ZINC000100776214 205947218 /nfs/dbraw/zinc/94/72/18/205947218.db2.gz PASPAVVXZGENDP-UHFFFAOYSA-N 1 1 372.856 3.020 40 0 FGABMO Fc1ccc(OCc2nnc([C@H]3CC[N@@H+](Cc4ccncc4)C3)o2)cc1 ZINC000049170408 206085820 /nfs/dbraw/zinc/08/58/20/206085820.db2.gz KBZDPZQEZFXWEI-HNNXBMFYSA-N 1 1 354.385 3.172 40 0 biogenic,in-vitro FGABMO NC(=O)c1cccc2[nH]c([C@H]3CC[N@@H+](Cc4cccc(Cl)c4)C3)nc21 ZINC000049171107 206087053 /nfs/dbraw/zinc/08/70/53/206087053.db2.gz JKJAMZXPTXROAK-ZDUSSCGKSA-N 1 1 354.841 3.305 40 0 biogenic,in-vitro FGABMO NC(=O)c1cccc2nc([C@H]3CC[N@H+](Cc4cccc(Cl)c4)C3)[nH]c21 ZINC000049171107 206087057 /nfs/dbraw/zinc/08/70/57/206087057.db2.gz JKJAMZXPTXROAK-ZDUSSCGKSA-N 1 1 354.841 3.305 40 0 biogenic,in-vitro FGABMO NC(=O)c1cccc2nc([C@H]3CC[N@@H+](Cc4cccc(Cl)c4)C3)[nH]c21 ZINC000049171107 206087064 /nfs/dbraw/zinc/08/70/64/206087064.db2.gz JKJAMZXPTXROAK-ZDUSSCGKSA-N 1 1 354.841 3.305 40 0 biogenic,in-vitro FGABMO COCCCNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000008577848 206217609 /nfs/dbraw/zinc/21/76/09/206217609.db2.gz WMNKEZCPEGKKRS-MQVJKMGUSA-N 1 1 367.584 3.134 40 0 FGABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](CC2CC2)C1 ZINC000015674284 206315917 /nfs/dbraw/zinc/31/59/17/206315917.db2.gz LRTMCQXUZLCQIX-OCCSQVGLSA-N 1 1 369.343 3.153 40 0 biogenic,in-vitro FGABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019499516 206325813 /nfs/dbraw/zinc/32/58/13/206325813.db2.gz HACNUGHROFYGAD-IBGZPJMESA-N 1 1 370.545 3.333 40 0 FGABMO CC1(C)CC2(CO1)CC[NH+](CC(=O)N1CCSc3ccccc31)CC2 ZINC000257271900 132296510 /nfs/dbraw/zinc/29/65/10/132296510.db2.gz NAGHWIUJXPAWGL-UHFFFAOYSA-N 1 1 360.523 3.406 40 0 FGABMO C[C@@H](CO)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C2CC2)[nH+]1 ZINC000328957081 132371897 /nfs/dbraw/zinc/37/18/97/132371897.db2.gz AJANVIQJCFFRCG-AWEZNQCLSA-N 1 1 352.482 3.488 40 0 FGABMO C[C@@H](CO)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C2CC2)n1 ZINC000328957081 132371898 /nfs/dbraw/zinc/37/18/98/132371898.db2.gz AJANVIQJCFFRCG-AWEZNQCLSA-N 1 1 352.482 3.488 40 0 FGABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C)[nH+]1)C2 ZINC000329017464 132372459 /nfs/dbraw/zinc/37/24/59/132372459.db2.gz NMNLJRXQLPOHGX-UHFFFAOYSA-N 1 1 366.465 3.489 40 0 FGABMO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c1C ZINC000024012987 132374082 /nfs/dbraw/zinc/37/40/82/132374082.db2.gz INDVVDWOSJXEJK-SFHVURJKSA-N 1 1 358.457 3.004 40 0 FGABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4F)C3)cc(N)n2n1 ZINC000072339781 494153557 /nfs/dbraw/zinc/15/35/57/494153557.db2.gz KCCGUMXYTHYXNQ-AWEZNQCLSA-N 1 1 357.408 3.278 40 0 FGABMO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)c1 ZINC000072358622 494157560 /nfs/dbraw/zinc/15/75/60/494157560.db2.gz IURAIEUDTBBQFQ-GOSISDBHSA-N 1 1 373.460 3.017 40 0 FGABMO CCN(Cc1cnc(C)nc1)c1ccc2c(c1)[nH+]c(CCCO)n2CC ZINC000012147713 494209616 /nfs/dbraw/zinc/20/96/16/494209616.db2.gz ZWWZBXPGYGUEQT-UHFFFAOYSA-N 1 1 353.470 3.106 40 0 FGABMO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CC[N@H+](Cc2ccsc2)C4)no1 ZINC000012185487 494211228 /nfs/dbraw/zinc/21/12/28/494211228.db2.gz KJNYPHSMLICSDX-UHFFFAOYSA-N 1 1 367.434 3.018 40 0 FGABMO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CC[N@@H+](Cc2ccsc2)C4)no1 ZINC000012185487 494211235 /nfs/dbraw/zinc/21/12/35/494211235.db2.gz KJNYPHSMLICSDX-UHFFFAOYSA-N 1 1 367.434 3.018 40 0 FGABMO CC[N@H+]1CCC[C@H]1Cn1cnc2c(-c3ccc(OC)cc3)nsc2c1=O ZINC000012185482 494211405 /nfs/dbraw/zinc/21/14/05/494211405.db2.gz BLWFFDDQAGOAAH-AWEZNQCLSA-N 1 1 370.478 3.013 40 0 FGABMO COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000012292441 494219081 /nfs/dbraw/zinc/21/90/81/494219081.db2.gz HKKVYNZWJTVDEZ-QUCCMNQESA-N 1 1 361.869 3.366 40 0 FGABMO CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)C1 ZINC000019019663 494434991 /nfs/dbraw/zinc/43/49/91/494434991.db2.gz DAYGVGPYVOLATK-GCJKJVERSA-N 1 1 365.477 3.103 40 0 FGABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000019081802 494435954 /nfs/dbraw/zinc/43/59/54/494435954.db2.gz ACSOWUPGCPNIGC-LNLFQRSKSA-N 1 1 359.514 3.034 40 0 FGABMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)c(OC)c1 ZINC000019237724 494439387 /nfs/dbraw/zinc/43/93/87/494439387.db2.gz QAHDBQRINJZTIA-NBCNXNJRSA-N 1 1 368.477 3.137 40 0 FGABMO CCOc1cc(C[N@H+]2CCC[C@H](c3nc(CC)cc(=O)[nH]3)C2)ccc1OC ZINC000019522505 494447225 /nfs/dbraw/zinc/44/72/25/494447225.db2.gz DAPXGPFIEBHXTK-INIZCTEOSA-N 1 1 371.481 3.119 40 0 FGABMO Clc1ccc(-n2cc(C[NH+]3CCC(Oc4cnccn4)CC3)cn2)cc1 ZINC000019659079 494453672 /nfs/dbraw/zinc/45/36/72/494453672.db2.gz MYRWMMQPYCRMCM-UHFFFAOYSA-N 1 1 369.856 3.359 40 0 FGABMO Cc1nccn1C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019656788 494453941 /nfs/dbraw/zinc/45/39/41/494453941.db2.gz ZIPFSOSEGZLZHA-QGZVFWFLSA-N 1 1 353.445 3.429 40 0 FGABMO CC(C)C[N@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703963 494454663 /nfs/dbraw/zinc/45/46/63/494454663.db2.gz LHPOLEOTKIGBMU-HNNXBMFYSA-N 1 1 373.522 3.214 40 0 FGABMO COc1ccccc1CNC(=O)c1cc([C@@H]2CC[N@@H+](CC(C)(C)C)C2)n[nH]1 ZINC000019707801 494456524 /nfs/dbraw/zinc/45/65/24/494456524.db2.gz AOFFCUBIRZHNAE-MRXNPFEDSA-N 1 1 370.497 3.184 40 0 FGABMO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCC(N2CCN(Cc3ccccc3)CC2)CC1 ZINC000095532314 494989187 /nfs/dbraw/zinc/98/91/87/494989187.db2.gz NVTJKEARUOGBES-VJBWXMMDSA-N 1 1 365.565 3.481 40 0 FGABMO Fc1cccnc1OC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccccn1)C2 ZINC000096040471 494998701 /nfs/dbraw/zinc/99/87/01/494998701.db2.gz CEEHZBBGFWBMMO-AZUAARDMSA-N 1 1 357.429 3.066 40 0 FGABMO c1csc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)n1 ZINC000096040231 494998717 /nfs/dbraw/zinc/99/87/17/494998717.db2.gz ZKZGJVYPMLDFPO-IEBWSBKVSA-N 1 1 359.495 3.126 40 0 FGABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)n1 ZINC000096040231 494998720 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3.417 40 0 FGABMO FC1(F)CC[N@@H+](Cc2ccsc2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096051177 495000006 /nfs/dbraw/zinc/00/00/06/495000006.db2.gz PZSSBDZPZOESJT-MRXNPFEDSA-N 1 1 350.438 3.276 40 0 FGABMO Cc1nc(COC[C@@]23CCC[C@@H]2C[N@@H+](CC2CCOCC2)C3)cs1 ZINC000096109283 495002291 /nfs/dbraw/zinc/00/22/91/495002291.db2.gz DOWVNDNSCDGRED-MJGOQNOKSA-N 1 1 350.528 3.497 40 0 FGABMO Cc1cccc(C(=O)N2CCC3(CC[C@@H](COCC4CC4)[N@@H+]3C)CC2)c1 ZINC000096209129 495006701 /nfs/dbraw/zinc/00/67/01/495006701.db2.gz JLRAENZGORLHCP-FQEVSTJZSA-N 1 1 356.510 3.491 40 0 FGABMO Cc1nc(CO[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cccnc2)C3)cs1 ZINC000096206184 495006824 /nfs/dbraw/zinc/00/68/24/495006824.db2.gz SEJXVRKLRUQYAN-MOPGFXCFSA-N 1 1 359.495 3.187 40 0 FGABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](N(C)Cc4ccccn4)CO3)C2)s1 ZINC000096219865 495007890 /nfs/dbraw/zinc/00/78/90/495007890.db2.gz VPRXMYIKZUOSJM-AZUAARDMSA-N 1 1 357.523 3.317 40 0 FGABMO Cn1cccc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216323 495008074 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362.524 3.147 40 0 FGABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3nccs3)CC2)N1Cc1cncs1 ZINC000585100129 507566175 /nfs/dbraw/zinc/56/61/75/507566175.db2.gz GJTPQLNOKZZKOK-QGZVFWFLSA-N 1 1 362.524 3.147 40 0 FGABMO O=C1C[C@@]2(CN1Cc1ccccc1)COCC[N@H+](Cc1cccc(F)c1)C2 ZINC000585104688 507570552 /nfs/dbraw/zinc/57/05/52/507570552.db2.gz RCVRNTWPXDVZIU-JOCHJYFZSA-N 1 1 368.452 3.077 40 0 FGABMO CC(C)C[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 ZINC000585109797 507573766 /nfs/dbraw/zinc/57/37/66/507573766.db2.gz VHICVIKDCMKQKK-JAXLGGSGSA-N 1 1 356.510 3.346 40 0 FGABMO C[C@H](c1ccccc1F)n1cc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)nn1 ZINC000227139406 526118884 /nfs/dbraw/zinc/11/88/84/526118884.db2.gz WVUUNZKCQDVQMJ-OWCLPIDISA-N 1 1 373.476 3.019 40 0 FGABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1ccccc1C ZINC000224376847 570986503 /nfs/dbraw/zinc/98/65/03/570986503.db2.gz ZAYONYMQQPVPHZ-UHFFFAOYSA-N 1 1 368.477 3.360 40 0 FGABMO O=C(CCCn1cccn1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 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Cc1cc(C[N@@H+](C)Cc2c(-c3ccc(F)cc3)nc3ncccn32)[nH]n1 ZINC000036753002 494097745 /nfs/dbraw/zinc/09/77/45/494097745.db2.gz GAOOTLTTXXHXEC-UHFFFAOYSA-N 1 1 350.401 3.199 40 0 FGABMO Cc1cc(C[N@H+](C)Cc2c(-c3ccc(F)cc3)nc3ncccn32)[nH]n1 ZINC000036753002 494097747 /nfs/dbraw/zinc/09/77/47/494097747.db2.gz GAOOTLTTXXHXEC-UHFFFAOYSA-N 1 1 350.401 3.199 40 0 FGABMO C[N@H+]1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216477 494145198 /nfs/dbraw/zinc/14/51/98/494145198.db2.gz AZBZSPBQTQNUMC-QGZVFWFLSA-N 1 1 360.502 3.296 40 0 FGABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000072378599 494160984 /nfs/dbraw/zinc/16/09/84/494160984.db2.gz JFRGCYHRRKZZPJ-LJQANCHMSA-N 1 1 362.433 3.318 40 0 FGABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392891 494162226 /nfs/dbraw/zinc/16/22/26/494162226.db2.gz OQQPEFKGQDFBAZ-OAHLLOKOSA-N 1 1 352.463 3.273 40 0 FGABMO O=c1cc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393189 494163138 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ZINC000096055087 209102600 /nfs/dbraw/zinc/10/26/00/209102600.db2.gz URJOYYSFRMYGFF-MOPGFXCFSA-N 1 1 357.523 3.235 40 0 FGABMO Cc1ccc(C[N@@H+]2CCN3C[C@@H](OCc4cccc(C)n4)C[C@@H]3C2)s1 ZINC000096055087 209102605 /nfs/dbraw/zinc/10/26/05/209102605.db2.gz URJOYYSFRMYGFF-MOPGFXCFSA-N 1 1 357.523 3.235 40 0 FGABMO Cc1ccc(C[N@H+]2CCN3C[C@@H](OCc4cccc(C)n4)C[C@@H]3C2)s1 ZINC000096055087 209102610 /nfs/dbraw/zinc/10/26/10/209102610.db2.gz URJOYYSFRMYGFF-MOPGFXCFSA-N 1 1 357.523 3.235 40 0 FGABMO Cc1cc(Oc2ccccc2F)nc([C@H]2CC[N@@H+](Cc3ccnn3C)C2)n1 ZINC000072384238 208842548 /nfs/dbraw/zinc/84/25/48/208842548.db2.gz UKVFMUWGMZLHNZ-HNNXBMFYSA-N 1 1 367.428 3.439 40 0 FGABMO Cc1cc(Oc2ccccc2F)nc([C@H]2CC[N@H+](Cc3ccnn3C)C2)n1 ZINC000072384238 208842552 /nfs/dbraw/zinc/84/25/52/208842552.db2.gz UKVFMUWGMZLHNZ-HNNXBMFYSA-N 1 1 367.428 3.439 40 0 FGABMO COc1cc(N2CCC[C@]3(CC[N@@H+](Cc4ccc(C)s4)C3)C2)ncn1 ZINC000096216513 132222646 /nfs/dbraw/zinc/22/26/46/132222646.db2.gz UVQGWLMQEPYWAG-LJQANCHMSA-N 1 1 358.511 3.348 40 0 FGABMO COc1cc2c(cc1OC)CN(c1cc(C3CC3)[nH+]c(NC(C)C)n1)CC2 ZINC000329072250 132373233 /nfs/dbraw/zinc/37/32/33/132373233.db2.gz ZWOIAHUDMVJUQC-UHFFFAOYSA-N 1 1 368.481 3.176 40 0 FGABMO COc1cc([C@H]2c3cc4c(cc3CC[N@H+]2C)OCO4)cc(OC)c1OC ZINC000001668731 493798322 /nfs/dbraw/zinc/79/83/22/493798322.db2.gz YNNAIAGUISNRCA-IBGZPJMESA-N 1 1 357.406 3.018 40 0 FGABMO COc1cc([C@H]2c3cc4c(cc3CC[N@@H+]2C)OCO4)cc(OC)c1OC ZINC000001668731 493798327 /nfs/dbraw/zinc/79/83/27/493798327.db2.gz YNNAIAGUISNRCA-IBGZPJMESA-N 1 1 357.406 3.018 40 0 FGABMO COc1ccccc1OCc1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000002763661 493818541 /nfs/dbraw/zinc/81/85/41/493818541.db2.gz JEXTZQCTSOIZIM-IBGZPJMESA-N 1 1 366.461 3.194 40 0 FGABMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1Br ZINC000005222306 493920572 /nfs/dbraw/zinc/92/05/72/493920572.db2.gz ARDYYLOYCMPRGQ-CZUORRHYSA-N 1 1 351.288 3.443 40 0 FGABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227714 494145376 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40 0 FGABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000019081800 494436124 /nfs/dbraw/zinc/43/61/24/494436124.db2.gz ACSOWUPGCPNIGC-YQVWRLOYSA-N 1 1 359.514 3.034 40 0 FGABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cc5c(cc4C)OCO5)C[C@H]32)nc1 ZINC000019215980 494438138 /nfs/dbraw/zinc/43/81/38/494438138.db2.gz TYIXZIXPRGBRBS-CECAUBDESA-N 1 1 366.461 3.157 40 0 FGABMO CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)ccc1OC ZINC000019532119 494447822 /nfs/dbraw/zinc/44/78/22/494447822.db2.gz YXYZEJUKVXBLLD-SVMVAKDDSA-N 1 1 368.477 3.219 40 0 FGABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)c(C)c(=O)[nH]3)C2)cc1OC ZINC000019533814 494448955 /nfs/dbraw/zinc/44/89/55/494448955.db2.gz QBDMHTTZECGOOW-QGZVFWFLSA-N 1 1 371.481 3.174 40 0 FGABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4cc(C)c(O)c(C)c4)C3)cc(N)n2n1 ZINC000019569999 494450646 /nfs/dbraw/zinc/45/06/46/494450646.db2.gz YHEBFVWHMBAVIJ-KRWDZBQOSA-N 1 1 365.481 3.322 40 0 FGABMO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](C2CCCC2)C1 ZINC000019703355 494455180 /nfs/dbraw/zinc/45/51/80/494455180.db2.gz BVGYMGMKUFTYOA-NRFANRHFSA-N 1 1 353.466 3.265 40 0 FGABMO CC1CCN(c2ncc(-c3cncn3CC[N@@H+](C)C3CCCC3)cn2)CC1 ZINC000019719992 494458459 /nfs/dbraw/zinc/45/84/59/494458459.db2.gz QLKHGPTWHCFXSI-UHFFFAOYSA-N 1 1 368.529 3.451 40 0 FGABMO COc1ccc(C2([NH2+]CC(C)(C)CN3CCN(C)CC3)CCCC2)cc1 ZINC000023247889 494559116 /nfs/dbraw/zinc/55/91/16/494559116.db2.gz ZPQOCRNCTAEFMF-UHFFFAOYSA-N 1 1 359.558 3.328 40 0 FGABMO c1ccc(CO[C@@H]2CSC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)C2)nc1 ZINC000248339261 496980741 /nfs/dbraw/zinc/98/07/41/496980741.db2.gz SMJRKIAFLSOCQQ-KRWDZBQOSA-N 1 1 370.474 3.087 40 0 FGABMO Cc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224725895 497052064 /nfs/dbraw/zinc/05/20/64/497052064.db2.gz FVPVKQOVNLUWBQ-UHFFFAOYSA-N 1 1 352.478 3.076 40 0 FGABMO Cc1ccc2oc(=O)c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000226037275 497080821 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FGABMO Cc1cc(C)nc(Nc2cc(C3CC[NH+](Cc4c[nH]cn4)CC3)ccn2)n1 ZINC000257291150 497399970 /nfs/dbraw/zinc/39/99/70/497399970.db2.gz QFWPKHBTGCRBOB-UHFFFAOYSA-N 1 1 363.469 3.335 40 0 FGABMO Cc1ncc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cscn3)C2)n1C ZINC000257317018 497402410 /nfs/dbraw/zinc/40/24/10/497402410.db2.gz VHZZVQRNOXFYSN-CQSZACIVSA-N 1 1 354.483 3.022 40 0 FGABMO Cc1ncc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1C ZINC000257317018 497402414 /nfs/dbraw/zinc/40/24/14/497402414.db2.gz VHZZVQRNOXFYSN-CQSZACIVSA-N 1 1 354.483 3.022 40 0 FGABMO CC(C)[N@H+]1CCOC[C@@]2(CC[C@@H](C[NH2+]Cc3ccccc3Cl)O2)C1 ZINC000306124520 498736418 /nfs/dbraw/zinc/73/64/18/498736418.db2.gz BSKJYOTXXKISIE-PKOBYXMFSA-N 1 1 352.906 3.088 40 0 FGABMO Cc1nc(C[N@H+]2CCC[C@]3(CN(Cc4cccnc4)CCO3)CC2)cs1 ZINC000306126308 498737806 /nfs/dbraw/zinc/73/78/06/498737806.db2.gz DSDBRIRTDUBMFI-HXUWFJFHSA-N 1 1 372.538 3.104 40 0 FGABMO CC(C)(C)OC(=O)N1CCC2(C[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000306131587 498738599 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FGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1Cc1cccs1 ZINC000306140233 498741411 /nfs/dbraw/zinc/74/14/11/498741411.db2.gz UNPOSGJUYSMAAO-QZTJIDSGSA-N 1 1 353.447 3.224 40 0 FGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccco3)C[C@H]2N1Cc1cccs1 ZINC000306140233 498741415 /nfs/dbraw/zinc/74/14/15/498741415.db2.gz UNPOSGJUYSMAAO-QZTJIDSGSA-N 1 1 353.447 3.224 40 0 FGABMO CN1CC[N@H+](Cc2ccco2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306139517 498741452 /nfs/dbraw/zinc/74/14/52/498741452.db2.gz SZFSUXZENYWXII-OAQYLSRUSA-N 1 1 373.460 3.478 40 0 FGABMO CN1CC[N@@H+](Cc2ccco2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306139517 498741455 /nfs/dbraw/zinc/74/14/55/498741455.db2.gz SZFSUXZENYWXII-OAQYLSRUSA-N 1 1 373.460 3.478 40 0 FGABMO C[N@H+]1CC[C@H](COCC2CCCC2)CC12CN(C(=O)C1CC(F)(F)C1)C2 ZINC000306143151 498742685 /nfs/dbraw/zinc/74/26/85/498742685.db2.gz XURYKJDUQAUCRP-INIZCTEOSA-N 1 1 370.484 3.161 40 0 FGABMO c1ccc(C[N@@H+]2C[C@H]3CN(c4ccc(-c5ccncc5)nn4)C[C@H]3C2)cc1 ZINC000409429232 499596226 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0 FGABMO C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)c3ccn[nH]3)[C@H]1CCCCC[NH2+]2 ZINC000257303236 209991768 /nfs/dbraw/zinc/99/17/68/209991768.db2.gz SGHSAEYKRVVOSZ-LMNJBCLMSA-N 1 1 352.482 3.158 40 0 FGABMO CCc1ccc(C(=O)N2CCC3(C[N@@H+](C)C[C@@H]3COCC3CC3)CC2)cc1 ZINC000248141306 209926962 /nfs/dbraw/zinc/92/69/62/209926962.db2.gz QHVUVWUVWXCVPJ-OAQYLSRUSA-N 1 1 370.537 3.460 40 0 FGABMO Cn1c(C(=O)N2CCC[N@@H+](C)CC2)cc2c1c1ccccc1n2CC1CC1 ZINC000096264222 209147508 /nfs/dbraw/zinc/14/75/08/209147508.db2.gz IARPBCRSRSRBCG-UHFFFAOYSA-N 1 1 364.493 3.321 40 0 FGABMO Cc1ccc(C(=O)N2CCCn3cnc(C[N@@H+](C)C(C)C)c3C2)cc1F ZINC000096259240 209145720 /nfs/dbraw/zinc/14/57/20/209145720.db2.gz VWTJLEZZYVTDPL-UHFFFAOYSA-N 1 1 358.461 3.217 40 0 FGABMO Cc1ccc(C(=O)N2CCCn3cnc(C[N@H+](C)C(C)C)c3C2)cc1F ZINC000096259240 209145724 /nfs/dbraw/zinc/14/57/24/209145724.db2.gz VWTJLEZZYVTDPL-UHFFFAOYSA-N 1 1 358.461 3.217 40 0 FGABMO Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[C@H](CNc1ccccn1)O2 ZINC000096209900 209135969 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FGABMO C=Cn1ncc(C[N@@H+](Cc2ccc(OC)c(OC)c2)C[C@@H]2CCCO2)c1C ZINC000012187353 207346027 /nfs/dbraw/zinc/34/60/27/207346027.db2.gz YZCWMOQAZDOLQU-IBGZPJMESA-N 1 1 371.481 3.490 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)CC(C)C)C[C@@H]32)cc1OC ZINC000012188221 207346837 /nfs/dbraw/zinc/34/68/37/207346837.db2.gz IMGJKPWWWZTBLK-MSOLQXFVSA-N 1 1 360.498 3.173 40 0 FGABMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)c1 ZINC000012119153 207338930 /nfs/dbraw/zinc/33/89/30/207338930.db2.gz IGGYHQGDYBUALN-MRXNPFEDSA-N 1 1 368.433 3.449 40 0 FGABMO Cc1ccc([C@H](O)C[N@@H+]2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 ZINC000012233108 207350263 /nfs/dbraw/zinc/35/02/63/207350263.db2.gz PVGPVPRFOJAMST-OAQYLSRUSA-N 1 1 362.477 3.477 40 0 FGABMO CCCc1ncc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)cn1 ZINC000012242206 207351302 /nfs/dbraw/zinc/35/13/02/207351302.db2.gz CLVWLLUMZZCJJO-UHFFFAOYSA-N 1 1 353.466 3.373 40 0 FGABMO CCCc1ncc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)cn1 ZINC000012242206 207351305 /nfs/dbraw/zinc/35/13/05/207351305.db2.gz CLVWLLUMZZCJJO-UHFFFAOYSA-N 1 1 353.466 3.373 40 0 FGABMO c1coc(-c2cnc(NCCC[NH+]3CCOCC3)nc2-c2ccco2)c1 ZINC000019342559 207659338 /nfs/dbraw/zinc/65/93/38/207659338.db2.gz JWBDODMPGQJMPK-UHFFFAOYSA-N 1 1 354.410 3.131 40 0 FGABMO CC[C@@H]1[N@@H+](Cc2ccc(C)s2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052438 209102756 /nfs/dbraw/zinc/10/27/56/209102756.db2.gz HFIPYGREZIMTLN-HKUYNNGSSA-N 1 1 350.528 3.439 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1 ZINC000096050628 209103173 /nfs/dbraw/zinc/10/31/73/209103173.db2.gz XECIQHSCFKBUGL-JOCHJYFZSA-N 1 1 368.452 3.459 40 0 FGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccccc1Cl ZINC000010544237 263366245 /nfs/dbraw/zinc/36/62/45/263366245.db2.gz PUSGNZCDJAHWOM-INIZCTEOSA-N 1 1 358.935 3.414 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)c(C)c(=O)[nH]3)C2)cc1OC ZINC000072351246 494156228 /nfs/dbraw/zinc/15/62/28/494156228.db2.gz UDEXLYOZJNLNRK-MRXNPFEDSA-N 1 1 357.454 3.196 40 0 FGABMO C[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)CC1=Cc2ccccc2OC1 ZINC000013991917 494298757 /nfs/dbraw/zinc/29/87/57/494298757.db2.gz VNJHYDWIQSOUMS-HNNXBMFYSA-N 1 1 353.418 3.074 40 0 FGABMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Br)cc1 ZINC000017467237 494414595 /nfs/dbraw/zinc/41/45/95/494414595.db2.gz BSMSXZZANUSLQQ-HOCLYGCPSA-N 1 1 351.288 3.443 40 0 FGABMO Cc1ccc(C)c([C@@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)c1 ZINC000019132025 494436626 /nfs/dbraw/zinc/43/66/26/494436626.db2.gz IOWLGHNBLZEGCQ-CTNGQTDRSA-N 1 1 358.526 3.451 40 0 FGABMO COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@@](O)(c3ccc(C)cn3)[C@@H]2C1 ZINC000019133205 494436864 /nfs/dbraw/zinc/43/68/64/494436864.db2.gz LPAQBXVYIBNNSL-KPLVRAHFSA-N 1 1 352.478 3.437 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)c(OC)c1 ZINC000019552198 494448456 /nfs/dbraw/zinc/44/84/56/494448456.db2.gz SRHVLHHZFDZOOC-CQSZACIVSA-N 1 1 365.433 3.342 40 0 FGABMO COc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)c1OC ZINC000019567632 494450235 /nfs/dbraw/zinc/45/02/35/494450235.db2.gz SIVRPSKTRGKGGI-MRXNPFEDSA-N 1 1 366.421 3.138 40 0 FGABMO CN(C)c1ncccc1C[NH+]1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000019715724 494457568 /nfs/dbraw/zinc/45/75/68/494457568.db2.gz KFPXRXRZZPDMJM-UHFFFAOYSA-N 1 1 364.415 3.489 40 0 FGABMO Cc1nc(N(C)C)cc(CC2CCN(C(=O)CCc3ccccc3)CC2)[nH+]1 ZINC000019758743 494460153 /nfs/dbraw/zinc/46/01/53/494460153.db2.gz HJZFTPXRVXPAEP-UHFFFAOYSA-N 1 1 366.509 3.265 40 0 FGABMO CCCc1ncc(CN(Cc2ccccn2)C[C@@H]2CCC[N@H+]2CC)cn1 ZINC000023247789 494559164 /nfs/dbraw/zinc/55/91/64/494559164.db2.gz DJUURZSDQCILRU-FQEVSTJZSA-N 1 1 353.514 3.311 40 0 FGABMO O=C1[C@@H]2C[C@@H](C[N@H+]2C2CCCC2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111829 495002236 /nfs/dbraw/zinc/00/22/36/495002236.db2.gz UIZKAPBCDFCYAQ-ICSRJNTNSA-N 1 1 363.461 3.393 40 0 biogenic,in-vitro FGABMO Cc1nc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)cs1 ZINC000247922872 496928087 /nfs/dbraw/zinc/92/80/87/496928087.db2.gz AAAFICBANUMLNC-MOPGFXCFSA-N 1 1 359.495 3.297 40 0 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Cc1cccc(C(=O)N2CC[N@H+](C)C[C@H](Cc3cncc4ccccc43)C2)n1 ZINC000257290281 497399503 /nfs/dbraw/zinc/39/95/03/497399503.db2.gz QCGUHJKCTFBOHE-SFHVURJKSA-N 1 1 374.488 3.185 40 0 FGABMO Cc1cccc(Nc2cnc([C@@H]3CCC[N@@H+](Cc4cn(C)cn4)C3)cn2)n1 ZINC000257323938 497403685 /nfs/dbraw/zinc/40/36/85/497403685.db2.gz WMNCEOURDUXITI-MRXNPFEDSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1cccc(Nc2cnc([C@@H]3CCC[N@H+](Cc4cn(C)cn4)C3)cn2)n1 ZINC000257323938 497403689 /nfs/dbraw/zinc/40/36/89/497403689.db2.gz WMNCEOURDUXITI-MRXNPFEDSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1cc(CC[C@H]2CCC[N@H+]2Cc2ccc(S(C)(=O)=O)cc2)ccn1 ZINC000257322379 497404005 /nfs/dbraw/zinc/40/40/05/497404005.db2.gz WFSVHGBAUBFGAP-LJQANCHMSA-N 1 1 358.507 3.391 40 0 FGABMO O=C(NCc1ccccc1)N1CC[C@H]2CC[N@@H+](Cc3ccccn3)CC[C@H]21 ZINC000306138905 498741501 /nfs/dbraw/zinc/74/15/01/498741501.db2.gz SKLJXMCNLZCWGI-TZIWHRDSSA-N 1 1 364.493 3.278 40 0 FGABMO CCOC[C@H]1CC[N@@H+](CC2CC2)C2(CN(C(=O)c3ccccc3F)C2)C1 ZINC000306137413 498741608 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C[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ccccc2)CC3)C1 ZINC000585104196 507571225 /nfs/dbraw/zinc/57/12/25/507571225.db2.gz MONDMLSWEQFHRZ-AZUAARDMSA-N 1 1 356.510 3.430 40 0 FGABMO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](C[N@H+]2CC2CCCCC2)C1 ZINC000585107965 507574168 /nfs/dbraw/zinc/57/41/68/507574168.db2.gz NGENNOOBWPBCDV-RBUKOAKNSA-N 1 1 362.539 3.270 40 0 FGABMO Cc1cc(N2CCO[C@@H](c3cccc(Nc4nccs4)n3)C2)nc(C)[nH+]1 ZINC000585262547 507581632 /nfs/dbraw/zinc/58/16/32/507581632.db2.gz QDRHLTOOTUNVRG-OAHLLOKOSA-N 1 1 368.466 3.266 40 0 FGABMO CC(C)[NH+]1CCN([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CC1 ZINC000585289157 507585945 /nfs/dbraw/zinc/58/59/45/507585945.db2.gz FKHPJKIQOWAQFV-IPMKNSEASA-N 1 1 352.906 3.027 40 0 FGABMO COc1ccc(SCC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020036508 525101125 /nfs/dbraw/zinc/10/11/25/525101125.db2.gz YIVHIUJCXMJDAO-IYBDPMFKSA-N 1 1 350.528 3.272 40 0 FGABMO CCC[N@H+]1CC[C@@H](c2nc3c(c(C)n2)CC(=O)N3Cc2ccccc2)C1 ZINC000257329831 210000236 /nfs/dbraw/zinc/00/02/36/210000236.db2.gz XLSIHCFRTDACSA-QGZVFWFLSA-N 1 1 350.466 3.074 40 0 FGABMO CNC(=O)c1sc2nccnc2c1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000257213356 209966731 /nfs/dbraw/zinc/96/67/31/209966731.db2.gz CHFAJTYSQBCXJQ-CYBMUJFWSA-N 1 1 370.453 3.180 40 0 FGABMO Cc1cccnc1C[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1 ZINC000108533662 209289556 /nfs/dbraw/zinc/28/95/56/209289556.db2.gz OOOZICLXHZLMHU-VQIMIIECSA-N 1 1 363.452 3.296 40 0 FGABMO CC(C)Oc1ccccc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000106011182 209271195 /nfs/dbraw/zinc/27/11/95/209271195.db2.gz GORHFLKCBTZCCB-UHFFFAOYSA-N 1 1 368.477 3.236 40 0 FGABMO CC(C)C[N@H+]1CCc2cc(C(=O)N3CCCC3)c(NC(C)C)nc2CC1 ZINC000096260479 209146522 /nfs/dbraw/zinc/14/65/22/209146522.db2.gz KSQJZXMGMBFVTF-UHFFFAOYSA-N 1 1 358.530 3.195 40 0 FGABMO FC1(F)CCN(Cc2ccncc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000096239801 209142039 /nfs/dbraw/zinc/14/20/39/209142039.db2.gz UIVNGWMALJSRNJ-LJQANCHMSA-N 1 1 358.436 3.210 40 0 FGABMO O=C(N1CCCC1)N1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216494 209135781 /nfs/dbraw/zinc/13/57/81/209135781.db2.gz FETHFPJRAKWKPM-NRFANRHFSA-N 1 1 357.498 3.069 40 0 FGABMO C[N@H+]1[C@@H](COCC2CC2)CCC12CCN(C(=O)Cc1ccccc1)CC2 ZINC000096209500 209135946 /nfs/dbraw/zinc/13/59/46/209135946.db2.gz CFTRKCMIGUBMST-HXUWFJFHSA-N 1 1 356.510 3.111 40 0 FGABMO COC[C@H]1CCC2(CCN(C(=O)c3cccc(C)c3)CC2)[N@H+]1CC1CC1 ZINC000096208687 209136028 /nfs/dbraw/zinc/13/60/28/209136028.db2.gz NCTKKWDERZJAJI-HXUWFJFHSA-N 1 1 356.510 3.491 40 0 FGABMO c1cc(C[N@@H+]2CCC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)cs1 ZINC000096209198 209136041 /nfs/dbraw/zinc/13/60/41/209136041.db2.gz NNITXDWDYUCRPE-MOPGFXCFSA-N 1 1 351.512 3.315 40 0 FGABMO COc1cccc(C[N@H+]2CC[C@]3(C2)C[C@H](Nc2ccccn2)CCO3)c1 ZINC000096208252 209134704 /nfs/dbraw/zinc/13/47/04/209134704.db2.gz NSHKPJBYIJJWQA-WIYYLYMNSA-N 1 1 353.466 3.326 40 0 FGABMO Cc1cccc(C[N@H+]2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)n1 ZINC000096207271 209133995 /nfs/dbraw/zinc/13/39/95/209133995.db2.gz GRWRZZFCEQARGA-SFTDATJTSA-N 1 1 353.466 3.125 40 0 FGABMO c1nn(CC2CC2)c2c1C[N@@H+](Cc1cccnc1)C[C@@H]2COCC1CC1 ZINC000096198418 209133490 /nfs/dbraw/zinc/13/34/90/209133490.db2.gz QNTHGSRKZFJPAW-HXUWFJFHSA-N 1 1 352.482 3.214 40 0 FGABMO c1nn(CC2CC2)c2c1C[N@H+](Cc1cccnc1)C[C@@H]2COCC1CC1 ZINC000096198418 209133491 /nfs/dbraw/zinc/13/34/91/209133491.db2.gz QNTHGSRKZFJPAW-HXUWFJFHSA-N 1 1 352.482 3.214 40 0 FGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000013670581 220082871 /nfs/dbraw/zinc/08/28/71/220082871.db2.gz DCGWLWZRVJNHLP-KRWDZBQOSA-N 1 1 358.935 3.414 40 0 FGABMO Cc1cccc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)n1 ZINC000096107278 209113207 /nfs/dbraw/zinc/11/32/07/209113207.db2.gz HOVGGAPJOWVTEI-RTWAWAEBSA-N 1 1 353.466 3.125 40 0 FGABMO Cc1nc(CO[C@@H]2CO[C@@]3(CC[N@@H+](CCc4ccccc4)C3)C2)cs1 ZINC000096107629 209113063 /nfs/dbraw/zinc/11/30/63/209113063.db2.gz MHHCGXNTDSLSPV-PMACEKPBSA-N 1 1 358.507 3.444 40 0 FGABMO O=C(CNCC[NH+]1CCCCC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000035311428 207130822 /nfs/dbraw/zinc/13/08/22/207130822.db2.gz UFHVPHDYZQWNQQ-UHFFFAOYSA-N 1 1 358.530 3.081 40 0 FGABMO COc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c1OC ZINC000012089069 207337174 /nfs/dbraw/zinc/33/71/74/207337174.db2.gz WHAAEORZLXUCKQ-VSOVRNOCSA-N 1 1 368.477 3.219 40 0 FGABMO CCCOc1cc2c(cc1C[N@H+]1CC[C@](O)(c3ccccc3)C1)OCO2 ZINC000012364342 207365491 /nfs/dbraw/zinc/36/54/91/207365491.db2.gz ITTZQXACBJGTLW-OAQYLSRUSA-N 1 1 355.434 3.298 40 0 FGABMO Cc1ccc(C)c([C@@H](O)C[N@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 ZINC000036734378 208172457 /nfs/dbraw/zinc/17/24/57/208172457.db2.gz IOWLGHNBLZEGCQ-FPOVZHCZSA-N 1 1 358.526 3.451 40 0 FGABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)s1 ZINC000096058033 209104236 /nfs/dbraw/zinc/10/42/36/209104236.db2.gz UKOJSLIXCNKWKZ-IPMKNSEASA-N 1 1 361.511 3.092 40 0 FGABMO COc1ccc(CCC2CC[NH+](CC(=O)N(C)c3nccs3)CC2)cc1 ZINC000072390298 208845614 /nfs/dbraw/zinc/84/56/14/208845614.db2.gz JVBUFAUWZYZBTB-UHFFFAOYSA-N 1 1 373.522 3.459 40 0 FGABMO c1cncc(COC[C@@]23CCCO[C@@H]2CC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096040102 209097874 /nfs/dbraw/zinc/09/78/74/209097874.db2.gz PHLHKOLRWDDKET-RTWAWAEBSA-N 1 1 353.466 3.065 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(c2ncc(F)cn2)C3)cc1 ZINC000096158304 132220951 /nfs/dbraw/zinc/22/09/51/132220951.db2.gz ZIKWRZCTULIYOD-FQEVSTJZSA-N 1 1 356.445 3.117 40 0 FGABMO Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](C2CCOCC2)C1 ZINC000008296295 494082208 /nfs/dbraw/zinc/08/22/08/494082208.db2.gz VKZNKGNJGJBKAL-ZWKOTPCHSA-N 1 1 364.489 3.422 40 0 biogenic,in-vitro FGABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349528 494155731 /nfs/dbraw/zinc/15/57/31/494155731.db2.gz NGNFHDIKDRSYPL-KRWDZBQOSA-N 1 1 355.457 3.079 40 0 FGABMO CN(CCO)C(=O)c1cc([C@@H]2CC[N@H+](C3CCCC3)C2)nc2ccccc21 ZINC000072352656 494156126 /nfs/dbraw/zinc/15/61/26/494156126.db2.gz FSFHYOOISHEYOS-MRXNPFEDSA-N 1 1 367.493 3.031 40 0 FGABMO CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)cc1OC ZINC000072373017 494159901 /nfs/dbraw/zinc/15/99/01/494159901.db2.gz QUMSHCDLXSECGA-JKSUJKDBSA-N 1 1 369.465 3.030 40 0 FGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000013676409 494292456 /nfs/dbraw/zinc/29/24/56/494292456.db2.gz ACKRNUVCLWYFQQ-GASCZTMLSA-N 1 1 358.935 3.127 40 0 FGABMO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@H+]2Cc1ccncc1 ZINC000019017782 494434389 /nfs/dbraw/zinc/43/43/89/494434389.db2.gz BMRXNQDOQZIXTI-NJDAHSKKSA-N 1 1 353.441 3.200 40 0 FGABMO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@H+](Cc3ccc4c(c3)C[C@@H](C)O4)C[C@@H]21 ZINC000019237866 494439130 /nfs/dbraw/zinc/43/91/30/494439130.db2.gz QODWZSKJILONGU-KALSDKHNSA-N 1 1 364.489 3.443 40 0 FGABMO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@]2(C1)OCCc1cnc(C)nc12 ZINC000019287387 494439267 /nfs/dbraw/zinc/43/92/67/494439267.db2.gz BXKATAACYAQTLP-PABBZOGXSA-N 1 1 365.477 3.371 40 0 FGABMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@]2(C1)OCCc1cnc(C)nc12 ZINC000019287387 494439273 /nfs/dbraw/zinc/43/92/73/494439273.db2.gz BXKATAACYAQTLP-PABBZOGXSA-N 1 1 365.477 3.371 40 0 FGABMO Cc1ccccc1[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1c1csnn1 ZINC000019237424 494440044 /nfs/dbraw/zinc/44/00/44/494440044.db2.gz RNXVACATNNYYNM-ZWKOTPCHSA-N 1 1 370.522 3.042 40 0 FGABMO CCN1CC[NH+](Cc2c3cccnc3[nH]c2-c2ccc(OC)cc2)CC1 ZINC000019528211 494447475 /nfs/dbraw/zinc/44/74/75/494447475.db2.gz KDEUPMZCJWSYCI-UHFFFAOYSA-N 1 1 350.466 3.376 40 0 FGABMO COc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)ccc1O ZINC000019550095 494448513 /nfs/dbraw/zinc/44/85/13/494448513.db2.gz HGDQBJWEIVWYPB-PMACEKPBSA-N 1 1 352.478 3.292 40 0 FGABMO O=C(Cc1ccc2nc[nH]c2c1)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000019654719 494452710 /nfs/dbraw/zinc/45/27/10/494452710.db2.gz KCCHJJKPJPKPIH-NRFANRHFSA-N 1 1 362.477 3.449 40 0 FGABMO Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)CC2CCCC2)[nH+]1 ZINC000019698295 494454928 /nfs/dbraw/zinc/45/49/28/494454928.db2.gz VZWASCMHABGQPT-NRFANRHFSA-N 1 1 370.541 3.386 40 0 FGABMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cc1O ZINC000247871509 496923454 /nfs/dbraw/zinc/92/34/54/496923454.db2.gz DRWDJBPALHWASJ-XERREHJYSA-N 1 1 357.425 3.270 40 0 FGABMO COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CCN(C(=O)c1ccco1)CC2 ZINC000247899678 496926319 /nfs/dbraw/zinc/92/63/19/496926319.db2.gz VRMIOOOUCDODEG-KRWDZBQOSA-N 1 1 374.506 3.342 40 0 FGABMO Cc1nc2ccccc2n1[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248082618 496953062 /nfs/dbraw/zinc/95/30/62/496953062.db2.gz AQLZRZVJOJXQQV-KKSFZXQISA-N 1 1 362.477 3.421 40 0 FGABMO c1cncc(CO[C@@H]2CSC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)C2)c1 ZINC000248333766 496979628 /nfs/dbraw/zinc/97/96/28/496979628.db2.gz KKUYHLBHOJGBIB-KRWDZBQOSA-N 1 1 370.474 3.087 40 0 FGABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)CC1 ZINC000224115713 497047155 /nfs/dbraw/zinc/04/71/55/497047155.db2.gz RUAOMILTAWJUDT-UHFFFAOYSA-N 1 1 368.477 3.360 40 0 FGABMO CCCCCC(=O)N1CCC(O)(c2csc(C[NH+](CC)CC)n2)CC1 ZINC000225464058 497063932 /nfs/dbraw/zinc/06/39/32/497063932.db2.gz VEBFBSYVXGMCTJ-UHFFFAOYSA-N 1 1 367.559 3.375 40 0 biogenic,in-vitro FGABMO COc1cccc(OC)c1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225900966 497078400 /nfs/dbraw/zinc/07/84/00/497078400.db2.gz AUCUMCUVONHNJO-SFHVURJKSA-N 1 1 368.477 3.232 40 0 FGABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000242543355 497354644 /nfs/dbraw/zinc/35/46/44/497354644.db2.gz JXVIQCKIXQWPEJ-KURKYZTESA-N 1 1 365.882 3.014 40 0 FGABMO CCOc1ccc(-c2cc(C(=O)N3CCC[C@]4(C)[NH2+]CCC[C@@H]34)n[nH]2)cc1 ZINC000257210293 497390893 /nfs/dbraw/zinc/39/08/93/497390893.db2.gz BTZLLFARBGEHIK-CTNGQTDRSA-N 1 1 368.481 3.222 40 0 FGABMO COCCC(=O)N1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@H+]2C ZINC000257238369 497393540 /nfs/dbraw/zinc/39/35/40/497393540.db2.gz HKRNIGFHYPKUHT-URVUXULASA-N 1 1 358.526 3.500 40 0 FGABMO CCn1cc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cn1 ZINC000257242188 497395045 /nfs/dbraw/zinc/39/50/45/497395045.db2.gz IBLKFPARHFWBKC-SFTDATJTSA-N 1 1 355.482 3.243 40 0 FGABMO Cc1nccc(C[N@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 ZINC000257263820 497396911 /nfs/dbraw/zinc/39/69/11/497396911.db2.gz LRPMEINPLLQAKK-SFTDATJTSA-N 1 1 353.466 3.125 40 0 FGABMO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000257277446 497397687 /nfs/dbraw/zinc/39/76/87/497397687.db2.gz NXZYZUQUSRFILB-INIZCTEOSA-N 1 1 363.465 3.039 40 0 FGABMO Cc1c[nH]c(-c2cc(C[C@H]3CCC[N@@H+](Cc4scnc4C)C3)ncn2)n1 ZINC000257277460 497397807 /nfs/dbraw/zinc/39/78/07/497397807.db2.gz NYBPGINIEXPQRL-OAHLLOKOSA-N 1 1 368.510 3.395 40 0 FGABMO Cn1ccnc1C[N@@H+]1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000257315233 497402158 /nfs/dbraw/zinc/40/21/58/497402158.db2.gz VALJYARIBRFMKS-KRWDZBQOSA-N 1 1 362.481 3.408 40 0 FGABMO Cn1ccnc1C[N@H+]1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000257315233 497402164 /nfs/dbraw/zinc/40/21/64/497402164.db2.gz VALJYARIBRFMKS-KRWDZBQOSA-N 1 1 362.481 3.408 40 0 FGABMO C[N@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)C1=CCCCC1)C2 ZINC000306134808 498740454 /nfs/dbraw/zinc/74/04/54/498740454.db2.gz NYPGYONLENBYMS-GOSISDBHSA-N 1 1 369.509 3.021 40 0 FGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2N1Cc1cccs1 ZINC000306134497 498741191 /nfs/dbraw/zinc/74/11/91/498741191.db2.gz NPGSTBPJRKXYEN-RTBURBONSA-N 1 1 364.474 3.026 40 0 FGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2N1Cc1cccs1 ZINC000306134497 498741197 /nfs/dbraw/zinc/74/11/97/498741197.db2.gz NPGSTBPJRKXYEN-RTBURBONSA-N 1 1 364.474 3.026 40 0 FGABMO c1csc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccncc4)C2)OC3)c1 ZINC000306141339 498742024 /nfs/dbraw/zinc/74/20/24/498742024.db2.gz VSQJAYIGROXWEH-LJQANCHMSA-N 1 1 352.463 3.182 40 0 FGABMO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000332751010 498782905 /nfs/dbraw/zinc/78/29/05/498782905.db2.gz AKSSQVITZMTLEM-KHDYIWLOSA-N 1 1 374.916 3.355 40 0 FGABMO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000332751010 498782912 /nfs/dbraw/zinc/78/29/12/498782912.db2.gz AKSSQVITZMTLEM-KHDYIWLOSA-N 1 1 374.916 3.355 40 0 FGABMO Fc1cccnc1OCC[C@@H]1Cn2cccc2C[N@H+](C2CCOCC2)C1 ZINC000585095252 507566122 /nfs/dbraw/zinc/56/61/22/507566122.db2.gz JXAFGNDZRRJAAD-MRXNPFEDSA-N 1 1 359.445 3.102 40 0 FGABMO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cccnc1)CC2 ZINC000585099888 507566394 /nfs/dbraw/zinc/56/63/94/507566394.db2.gz QQJDMHHNCJLYID-OAQYLSRUSA-N 1 1 368.481 3.234 40 0 FGABMO COCC[N@H+]1CCC[C@]12CCCN(C(=O)Cc1cc(F)cc(F)c1)CC2 ZINC000585100600 507567491 /nfs/dbraw/zinc/56/74/91/507567491.db2.gz PGKRURDFYAAVCK-FQEVSTJZSA-N 1 1 366.452 3.001 40 0 FGABMO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]32)no1 ZINC000585109603 507574108 /nfs/dbraw/zinc/57/41/08/507574108.db2.gz CWUSJAXQERWJQR-IRFCIJBXSA-N 1 1 374.444 3.078 40 0 FGABMO OC1(COc2ccccc2F)CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000585271152 507582665 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FGABMO Cc1noc([C@@H]2C[C@H]3OCC[C@H]3[N@@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000096038930 209097372 /nfs/dbraw/zinc/09/73/72/209097372.db2.gz DCGDCDPYRBVDJO-ATZDWAIDSA-N 1 1 350.422 3.073 40 0 FGABMO C[C@H](CO)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C2CC2)[nH+]1 ZINC000328957083 132371873 /nfs/dbraw/zinc/37/18/73/132371873.db2.gz AJANVIQJCFFRCG-CQSZACIVSA-N 1 1 352.482 3.488 40 0 FGABMO C[C@H](CO)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C2CC2)n1 ZINC000328957083 132371874 /nfs/dbraw/zinc/37/18/74/132371874.db2.gz AJANVIQJCFFRCG-CQSZACIVSA-N 1 1 352.482 3.488 40 0 FGABMO Cc1[nH]c2c(cccc2C(=O)N2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1C ZINC000012325922 132856113 /nfs/dbraw/zinc/85/61/13/132856113.db2.gz CVYODWXVZISWDX-UHFFFAOYSA-N 1 1 363.465 3.154 40 0 FGABMO C[C@@H]1C[N@@H+](C[C@@H](Cc2ccccc2)C(N)=O)CC[C@@]1(C)c1cccc(O)c1 ZINC000060124969 493914937 /nfs/dbraw/zinc/91/49/37/493914937.db2.gz XIXMDCGNWYDFMB-LYHRCORUSA-N 1 1 366.505 3.336 40 0 FGABMO CC1CC[NH+](Cc2nc3ccccc3n2CC(=O)N2CCCCC2)CC1 ZINC000076555446 493921637 /nfs/dbraw/zinc/92/16/37/493921637.db2.gz QCEHBHQLYPNPDD-UHFFFAOYSA-N 1 1 354.498 3.281 40 0 FGABMO CC[C@H](OC[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000034930259 494070761 /nfs/dbraw/zinc/07/07/61/494070761.db2.gz NBGUEXHMAOEBRK-UGKGYDQZSA-N 1 1 372.484 3.477 40 0 FGABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000072227509 494145390 /nfs/dbraw/zinc/14/53/90/494145390.db2.gz MGHOOQFHKVRGPT-CVEARBPZSA-N 1 1 366.339 3.138 40 0 FGABMO Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378476 494161074 /nfs/dbraw/zinc/16/10/74/494161074.db2.gz GSYPXTOVANYNHG-SFHVURJKSA-N 1 1 365.412 3.016 40 0 FGABMO Fc1cccc(C[N@H+]2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)c1F ZINC000072390057 494162684 /nfs/dbraw/zinc/16/26/84/494162684.db2.gz PJLSQXHGWFXADC-ZDUSSCGKSA-N 1 1 357.364 3.184 40 0 FGABMO OC1(Cn2ccc3ccncc32)CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000019292709 494440863 /nfs/dbraw/zinc/44/08/63/494440863.db2.gz UEPSDDHKFJQTFG-UHFFFAOYSA-N 1 1 357.404 3.342 40 0 FGABMO CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3cccnc3)CC[C@H]21 ZINC000019499205 494445974 /nfs/dbraw/zinc/44/59/74/494445974.db2.gz PQHHDKSXOHWKSA-NJDAHSKKSA-N 1 1 367.468 3.447 40 0 FGABMO CCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCC(C)CC1)CC2 ZINC000019498797 494446316 /nfs/dbraw/zinc/44/63/16/494446316.db2.gz OGLYBJQRNAPTIQ-JTTJXQCZSA-N 1 1 372.513 3.193 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)c(OC)c1 ZINC000019552200 494449028 /nfs/dbraw/zinc/44/90/28/494449028.db2.gz SRHVLHHZFDZOOC-AWEZNQCLSA-N 1 1 365.433 3.342 40 0 FGABMO Cc1cc([C@@H](O)C[NH+]2CCN(c3ccc(F)cc3F)CC2)c(C)s1 ZINC000019567891 494449814 /nfs/dbraw/zinc/44/98/14/494449814.db2.gz HIDDSMKKDMKXTA-SFHVURJKSA-N 1 1 352.450 3.499 40 0 FGABMO C[N@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)Cc1cccnc1 ZINC000019589152 494451522 /nfs/dbraw/zinc/45/15/22/494451522.db2.gz YDKSHHNVACJYKR-MQSCRBSSSA-N 1 1 363.505 3.493 40 0 FGABMO C[N@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)CC2CCCCC2)C3)C1 ZINC000019588560 494451898 /nfs/dbraw/zinc/45/18/98/494451898.db2.gz MHICTCPSCPJGJI-QGZVFWFLSA-N 1 1 356.514 3.141 40 0 FGABMO C[N@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cc(C2CC2)on1 ZINC000019589252 494451915 /nfs/dbraw/zinc/45/19/15/494451915.db2.gz SVNMGPBHYOGELW-YVWKXTFCSA-N 1 1 369.440 3.394 40 0 FGABMO Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)CC2CCCC2)[nH+]1 ZINC000019698296 494454710 /nfs/dbraw/zinc/45/47/10/494454710.db2.gz VZWASCMHABGQPT-OAQYLSRUSA-N 1 1 370.541 3.386 40 0 FGABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)C1 ZINC000020040454 494466241 /nfs/dbraw/zinc/46/62/41/494466241.db2.gz MLKWXGIYBKFIFB-OAHLLOKOSA-N 1 1 351.450 3.270 40 0 FGABMO CCn1nc(C)c(CN(Cc2ccccn2)C[C@H]2CCC[N@H+]2CC)c1C ZINC000023247781 494558229 /nfs/dbraw/zinc/55/82/29/494558229.db2.gz ABNSXFHLKTWJAM-HXUWFJFHSA-N 1 1 355.530 3.401 40 0 FGABMO FC(F)(F)c1ccc(O[C@H]2COCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000096113167 495002734 /nfs/dbraw/zinc/00/27/34/495002734.db2.gz DSWYPPCZUFNWOM-QGZVFWFLSA-N 1 1 352.356 3.380 40 0 biogenic,in-vitro FGABMO FC(F)(F)c1ccc(O[C@H]2COCC[N@@H+](Cc3ccccn3)C2)cc1 ZINC000096113167 495002737 /nfs/dbraw/zinc/00/27/37/495002737.db2.gz DSWYPPCZUFNWOM-QGZVFWFLSA-N 1 1 352.356 3.380 40 0 biogenic,in-vitro FGABMO Cc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)n1 ZINC000247859711 496922052 /nfs/dbraw/zinc/92/20/52/496922052.db2.gz FHIQVXLXVBPPRB-SFTDATJTSA-N 1 1 353.466 3.235 40 0 FGABMO Fc1ccc(NC(=S)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224755998 497053342 /nfs/dbraw/zinc/05/33/42/497053342.db2.gz INECMKHFMLGXIC-UHFFFAOYSA-N 1 1 359.470 3.145 40 0 FGABMO CCC(CC)C(=O)N1CCC(O)(c2csc(C[NH+](CC)CC)n2)CC1 ZINC000225463958 497064069 /nfs/dbraw/zinc/06/40/69/497064069.db2.gz VWXZHAOGZWSWMQ-UHFFFAOYSA-N 1 1 367.559 3.231 40 0 biogenic,in-vitro FGABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000225737818 497073875 /nfs/dbraw/zinc/07/38/75/497073875.db2.gz BYFNRDMWMIGHAG-MRXNPFEDSA-N 1 1 374.554 3.222 40 0 FGABMO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000257214019 497392221 /nfs/dbraw/zinc/39/22/21/497392221.db2.gz CKEPSHGPDFRAQF-GOSISDBHSA-N 1 1 363.465 3.158 40 0 FGABMO Cc1c[nH]c(-c2cncc(C[C@@H]3CCC[N@@H+](Cc4cncs4)C3)n2)n1 ZINC000257274389 497397863 /nfs/dbraw/zinc/39/78/63/497397863.db2.gz NKWZQLOGBBULEK-AWEZNQCLSA-N 1 1 354.483 3.086 40 0 FGABMO CC(C)[N@H+]1CCC[C@H](c2cccc(N3CC4(CCOCC4)OC3=O)n2)C1 ZINC000257277189 497398268 /nfs/dbraw/zinc/39/82/68/497398268.db2.gz NWULEIHBSHPWDL-INIZCTEOSA-N 1 1 359.470 3.175 40 0 FGABMO COc1ccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCC[N@H+]4C)on2)cc1 ZINC000257328337 497403978 /nfs/dbraw/zinc/40/39/78/497403978.db2.gz XFEUSOUQJMHXHW-FPOVZHCZSA-N 1 1 369.465 3.439 40 0 FGABMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OC(=O)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000263589777 497803713 /nfs/dbraw/zinc/80/37/13/497803713.db2.gz ROZOEEGFKDFEFP-IMLKGASGSA-N 1 1 357.494 3.338 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306123519 498737019 /nfs/dbraw/zinc/73/70/19/498737019.db2.gz APEIVMPYLXYQIH-VQTJNVASSA-N 1 1 365.408 3.302 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccco3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306123519 498737022 /nfs/dbraw/zinc/73/70/22/498737022.db2.gz APEIVMPYLXYQIH-VQTJNVASSA-N 1 1 365.408 3.302 40 0 FGABMO CN1CC[N@H+](Cc2ccoc2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306138334 498740057 /nfs/dbraw/zinc/74/00/57/498740057.db2.gz RVBQECWLIPNICM-NRFANRHFSA-N 1 1 373.460 3.478 40 0 FGABMO CN1CC[N@@H+](Cc2ccoc2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306138334 498740063 /nfs/dbraw/zinc/74/00/63/498740063.db2.gz RVBQECWLIPNICM-NRFANRHFSA-N 1 1 373.460 3.478 40 0 FGABMO Cc1cccc(CO[C@H]2CSC3(C[NH+](Cc4cccc(C)n4)C3)C2)n1 ZINC000585105331 507572915 /nfs/dbraw/zinc/57/29/15/507572915.db2.gz UDQIMECBCWIDFF-LJQANCHMSA-N 1 1 355.507 3.370 40 0 FGABMO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](Cc4ccncc4)C[C@@H]32)no1 ZINC000585109744 507574257 /nfs/dbraw/zinc/57/42/57/507574257.db2.gz NWRLEYFKRSARCV-IRFCIJBXSA-N 1 1 374.444 3.078 40 0 FGABMO Cc1c[nH]c(-c2nccnc2C[C@@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000257336616 210003806 /nfs/dbraw/zinc/00/38/06/210003806.db2.gz YPFRSBKNIQWTGE-AWEZNQCLSA-N 1 1 354.483 3.086 40 0 FGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000107731241 209278613 /nfs/dbraw/zinc/27/86/13/209278613.db2.gz JLEQOBORKYDHJM-CRAIPNDOSA-N 1 1 362.474 3.221 40 0 FGABMO Cc1ccc(CN2CCO[C@]3(CCC[N@@H+](Cc4ccccn4)C3)C2)s1 ZINC000096226740 209139025 /nfs/dbraw/zinc/13/90/25/209139025.db2.gz WGLHHNSNKPXSTC-FQEVSTJZSA-N 1 1 357.523 3.319 40 0 FGABMO Cc1ccc(C[N@@H+]2CCO[C@]3(CCCN(Cc4ccccn4)C3)C2)s1 ZINC000096226740 209139030 /nfs/dbraw/zinc/13/90/30/209139030.db2.gz WGLHHNSNKPXSTC-FQEVSTJZSA-N 1 1 357.523 3.319 40 0 FGABMO Cc1ccc(C[N@H+]2CCO[C@]3(CCCN(Cc4ccccn4)C3)C2)s1 ZINC000096226740 209139032 /nfs/dbraw/zinc/13/90/32/209139032.db2.gz WGLHHNSNKPXSTC-FQEVSTJZSA-N 1 1 357.523 3.319 40 0 FGABMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096220960 209138281 /nfs/dbraw/zinc/13/82/81/209138281.db2.gz WIURPJCWKQABRS-GOSISDBHSA-N 1 1 357.523 3.399 40 0 FGABMO CCOC[C@@H]1CCC2(CCN(C(=O)CCc3ccccc3C)CC2)[N@H+]1C ZINC000096215248 209136376 /nfs/dbraw/zinc/13/63/76/209136376.db2.gz PUYPOYZLMXDQIJ-FQEVSTJZSA-N 1 1 358.526 3.420 40 0 FGABMO Cc1ncsc1C[N@H+]1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096107285 209113770 /nfs/dbraw/zinc/11/37/70/209113770.db2.gz IAVGDWNUPMIGNT-MJGOQNOKSA-N 1 1 359.495 3.187 40 0 FGABMO c1csc(C[NH+]2CCC3(CO[C@@H](COCc4ccccn4)C3)CC2)n1 ZINC000096106171 209112670 /nfs/dbraw/zinc/11/26/70/209112670.db2.gz VUQAJQCUXVDLJW-QGZVFWFLSA-N 1 1 359.495 3.126 40 0 FGABMO Cc1ncccc1NC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)O1 ZINC000096065369 209107433 /nfs/dbraw/zinc/10/74/33/209107433.db2.gz WZXCULGTKIVNSL-KURKYZTESA-N 1 1 357.479 3.212 40 0 FGABMO C[C@H]1CC(C)(C)[N@H+]2CC[C@H](C(=O)N3Cc4cc5ccccc5nc4C3)[C@@H]2O1 ZINC000005160918 207084676 /nfs/dbraw/zinc/08/46/76/207084676.db2.gz NPMYSDYHYASACI-OXTHUFEASA-N 1 1 365.477 3.312 40 0 FGABMO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[N@@H+](CCO)Cc1ccccc1)C2 ZINC000009970714 207290753 /nfs/dbraw/zinc/29/07/53/207290753.db2.gz NWYPYGCCRUVMTM-VMBXEPDQSA-N 1 1 361.526 3.073 40 0 FGABMO O=C1NC[C@]2(CCC[N@@H+](CCCOc3ccccc3)C2)Oc2ccccc21 ZINC000012087285 207336756 /nfs/dbraw/zinc/33/67/56/207336756.db2.gz ILYSKFULPLYKFE-QFIPXVFZSA-N 1 1 366.461 3.113 40 0 FGABMO C[N@H+]1CCCC[C@H]1CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 ZINC000012087839 207336795 /nfs/dbraw/zinc/33/67/95/207336795.db2.gz JURTYUODIDPURF-SFHVURJKSA-N 1 1 366.509 3.397 40 0 FGABMO OCCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1 ZINC000012293206 207352981 /nfs/dbraw/zinc/35/29/81/207352981.db2.gz BXIUIGXLRGOHMW-VSOVRNOCSA-N 1 1 371.452 3.211 40 0 FGABMO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038849343 208207682 /nfs/dbraw/zinc/20/76/82/208207682.db2.gz AKBJRKKUPZQZPA-OAHLLOKOSA-N 1 1 356.397 3.405 40 0 FGABMO c1csc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)c1 ZINC000096056422 209104557 /nfs/dbraw/zinc/10/45/57/209104557.db2.gz HUYQOAGXTHDARA-BHIYHBOVSA-N 1 1 351.512 3.313 40 0 FGABMO Fc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)cc1 ZINC000096056425 209104461 /nfs/dbraw/zinc/10/44/61/209104461.db2.gz SKMUOYOTBQGKFQ-NJDAHSKKSA-N 1 1 363.473 3.391 40 0 FGABMO Cc1cc(C)n(Cc2ccc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000061399652 208597332 /nfs/dbraw/zinc/59/73/32/208597332.db2.gz PZNFWOQLGDHIAW-QGZVFWFLSA-N 1 1 368.525 3.400 40 0 FGABMO CN(Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096047975 209100866 /nfs/dbraw/zinc/10/08/66/209100866.db2.gz CEIZHMUPPUKTDE-SFHVURJKSA-N 1 1 357.523 3.399 40 0 FGABMO COc1ccc(C[N@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)cc1 ZINC000096046666 209100732 /nfs/dbraw/zinc/10/07/32/209100732.db2.gz DQIWRONTODUJAE-UHFFFAOYSA-N 1 1 365.477 3.219 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](Nc4ccc(C)nn4)CO3)C2)cc1 ZINC000096048466 209100919 /nfs/dbraw/zinc/10/09/19/209100919.db2.gz HUUGNFFMTNKIER-WIYYLYMNSA-N 1 1 368.481 3.029 40 0 FGABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)s1 ZINC000096048658 209099544 /nfs/dbraw/zinc/09/95/44/209099544.db2.gz LFZSXTKAUDNGPH-FQEVSTJZSA-N 1 1 355.507 3.466 40 0 FGABMO Cc1cccc(N2CCC[C@@H](NC(=O)c3ccc(C(C)C)[nH]c3=O)C2)[nH+]1 ZINC000257314469 132297189 /nfs/dbraw/zinc/29/71/89/132297189.db2.gz UXDDCNIOJDGGPA-OAHLLOKOSA-N 1 1 354.454 3.013 40 0 FGABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000072227788 494145113 /nfs/dbraw/zinc/14/51/13/494145113.db2.gz UDEGJDCFAXNPJD-HZPDHXFCSA-N 1 1 367.232 3.426 40 0 FGABMO COc1cccc(-c2cncc([C@@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)n2)c1 ZINC000072359726 494156845 /nfs/dbraw/zinc/15/68/45/494156845.db2.gz UYNPNMCWFRSXOU-GOSISDBHSA-N 1 1 363.465 3.265 40 0 FGABMO COc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)c1 ZINC000072359059 494157209 /nfs/dbraw/zinc/15/72/09/494157209.db2.gz WORGFGUJWYHXTG-SFHVURJKSA-N 1 1 363.465 3.265 40 0 FGABMO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)nc(C)n1 ZINC000072360346 494158225 /nfs/dbraw/zinc/15/82/25/494158225.db2.gz VJZFYXXJQCUFBF-GOSISDBHSA-N 1 1 363.469 3.303 40 0 FGABMO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)nc(C)n1 ZINC000072360346 494158227 /nfs/dbraw/zinc/15/82/27/494158227.db2.gz VJZFYXXJQCUFBF-GOSISDBHSA-N 1 1 363.469 3.303 40 0 FGABMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072384038 494161939 /nfs/dbraw/zinc/16/19/39/494161939.db2.gz GNAXQJHUSPQOPO-MRXNPFEDSA-N 1 1 364.453 3.085 40 0 FGABMO Cc1ccc2c(c1)C(=O)NCC1(CCC([N@@H+](C)Cc3cccnc3)CC1)O2 ZINC000072391111 494162159 /nfs/dbraw/zinc/16/21/59/494162159.db2.gz STNBGZKOFNCCDI-UHFFFAOYSA-N 1 1 365.477 3.326 40 0 FGABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393192 494163591 /nfs/dbraw/zinc/16/35/91/494163591.db2.gz MJSDRHDSOXQFQK-CQSZACIVSA-N 1 1 352.463 3.273 40 0 FGABMO Cc1nc2ccccn2c1C[N@@H+]1C[C@H]2[C@H](CC[C@]2(O)c2ccc(C)cn2)C1 ZINC000012221555 494214417 /nfs/dbraw/zinc/21/44/17/494214417.db2.gz CTPLHSMEURQVFS-KGVIQGDOSA-N 1 1 362.477 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Cn1cc([C@H](O)C[NH+]2CCN(c3ccc(F)cc3F)CC2)c2ccccc21 ZINC000019290382 494440843 /nfs/dbraw/zinc/44/08/43/494440843.db2.gz IAQUXEREKHCGIF-OAQYLSRUSA-N 1 1 371.431 3.312 40 0 FGABMO CC(C)c1ncc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cn1 ZINC000019453953 494444626 /nfs/dbraw/zinc/44/46/26/494444626.db2.gz RVPAQJATZNVKQQ-HTZLVSCSSA-N 1 1 352.482 3.115 40 0 FGABMO CCCCc1ncc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)cn1 ZINC000019502373 494446121 /nfs/dbraw/zinc/44/61/21/494446121.db2.gz KXMKXFGYLTWXBH-JQVVWYNYSA-N 1 1 366.509 3.252 40 0 FGABMO CCn1c(CN2C[C@H](C[NH+]3CCOCC3)c3ccccc32)cnc1SC ZINC000019524178 494447202 /nfs/dbraw/zinc/44/72/02/494447202.db2.gz BEHUHXATKUOUQY-INIZCTEOSA-N 1 1 372.538 3.061 40 0 FGABMO Cc1cc([C@H](O)C[NH+]2CCN(c3nc4ccccc4o3)CC2)c(C)s1 ZINC000019567934 494449844 /nfs/dbraw/zinc/44/98/44/494449844.db2.gz PRFLAABHGFZQNW-QGZVFWFLSA-N 1 1 357.479 3.362 40 0 FGABMO COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)cc1O ZINC000019559762 494449921 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Cc1csc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)n1 ZINC000096040432 209097549 /nfs/dbraw/zinc/09/75/49/209097549.db2.gz IYIJXWXQHHTWGO-VQIMIIECSA-N 1 1 359.495 3.297 40 0 FGABMO C[NH+]1CCC(Br)(C(=O)c2ccc(Br)cc2)CC1 ZINC000001585366 493796670 /nfs/dbraw/zinc/79/66/70/493796670.db2.gz LGZKCPDCAPKVKC-UHFFFAOYSA-N 1 1 361.077 3.491 40 0 FGABMO Cc1cc(N2CC[NH+](C)CC2)nc(SC(=O)c2ccc(Cl)cc2)n1 ZINC000005725054 493940790 /nfs/dbraw/zinc/94/07/90/493940790.db2.gz ICSMTEVMLORAMW-UHFFFAOYSA-N 1 1 362.886 3.123 40 0 FGABMO Cc1cc(C)cc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000008041210 494062695 /nfs/dbraw/zinc/06/26/95/494062695.db2.gz UMTUSDUXBBOJON-IBGZPJMESA-N 1 1 352.478 3.415 40 0 FGABMO COCCOc1ccc(C[N@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc1 ZINC000072343282 494154976 /nfs/dbraw/zinc/15/49/76/494154976.db2.gz HFJSOHIMRVEYOZ-NHCUHLMSSA-N 1 1 366.461 3.255 40 0 FGABMO COc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)c1 ZINC000072359060 494157113 /nfs/dbraw/zinc/15/71/13/494157113.db2.gz WORGFGUJWYHXTG-GOSISDBHSA-N 1 1 363.465 3.265 40 0 FGABMO COC[C@@H]1CN(C(=O)C2CCCCC2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354451 494157290 /nfs/dbraw/zinc/15/72/90/494157290.db2.gz MUTNUPJDLZEAKI-FQEVSTJZSA-N 1 1 358.526 3.216 40 0 FGABMO c1ccc(CC[N@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377576 494159228 /nfs/dbraw/zinc/15/92/28/494159228.db2.gz LHFVSVKOXZQIIZ-GOSISDBHSA-N 1 1 360.465 3.432 40 0 FGABMO Cc1ncsc1C(=O)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2C)n1 ZINC000072378617 494160841 /nfs/dbraw/zinc/16/08/41/494160841.db2.gz JRLSPTJZSRAVEP-HNNXBMFYSA-N 1 1 353.451 3.318 40 0 FGABMO O=C(CCc1n[nH]c2c1CCCC2)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019014948 494434486 /nfs/dbraw/zinc/43/44/86/494434486.db2.gz HWYXFXQODGEJLV-SFHVURJKSA-N 1 1 372.557 3.478 40 0 FGABMO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019020494 494434646 /nfs/dbraw/zinc/43/46/46/494434646.db2.gz BSOTYQZDPNWNID-FQEVSTJZSA-N 1 1 359.420 3.449 40 0 FGABMO CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3CC3CCCCC3)ncc2C1 ZINC000019018262 494434828 /nfs/dbraw/zinc/43/48/28/494434828.db2.gz MWRHSBIGSZQLDC-HXUWFJFHSA-N 1 1 356.514 3.489 40 0 FGABMO O=c1cc([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)nc(-c2ccncc2)[nH]1 ZINC000019292844 494440839 /nfs/dbraw/zinc/44/08/39/494440839.db2.gz XENLCXATLAKEKJ-OAHLLOKOSA-N 1 1 368.387 3.100 40 0 FGABMO CC(=O)N1CCC[C@H]1c1cc(N2CC[NH+](C3CCCC3)CC2)cc(C)n1 ZINC000019698254 494455520 /nfs/dbraw/zinc/45/55/20/494455520.db2.gz ZRGSPUWUHSYFTB-NRFANRHFSA-N 1 1 356.514 3.138 40 0 FGABMO CN1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5cccs5)c43)C2)CC1 ZINC000020503400 494475202 /nfs/dbraw/zinc/47/52/02/494475202.db2.gz QLPKHAWDBPBDEK-JKSUJKDBSA-N 1 1 369.534 3.090 40 0 biogenic,in-vitro FGABMO C[NH+]1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4cccs4)c23)CC1 ZINC000020503400 494475204 /nfs/dbraw/zinc/47/52/04/494475204.db2.gz QLPKHAWDBPBDEK-JKSUJKDBSA-N 1 1 369.534 3.090 40 0 biogenic,in-vitro FGABMO O=C1OC[C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCO4)Cc3ccc(F)cc3N12 ZINC000225486815 497065001 /nfs/dbraw/zinc/06/50/01/497065001.db2.gz ZIDGJQKVIWSZHI-INIZCTEOSA-N 1 1 370.380 3.286 40 0 biogenic,in-vitro FGABMO O=C1OC[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCO4)Cc3ccc(F)cc3N12 ZINC000225486815 497065006 /nfs/dbraw/zinc/06/50/06/497065006.db2.gz ZIDGJQKVIWSZHI-INIZCTEOSA-N 1 1 370.380 3.286 40 0 biogenic,in-vitro FGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1cccc(C(=O)OC)c1 ZINC000225582771 497068694 /nfs/dbraw/zinc/06/86/94/497068694.db2.gz FNORTJZPLVCAQG-KRWDZBQOSA-N 1 1 363.527 3.414 40 0 FGABMO C[C@@H]1c2nc(CC(=O)NCCc3cccs3)cn2CC[N@@H+]1C1CCCC1 ZINC000253590949 497343597 /nfs/dbraw/zinc/34/35/97/497343597.db2.gz HVLQZZZBTRCREO-OAHLLOKOSA-N 1 1 372.538 3.165 40 0 FGABMO C[C@@H]1c2nc(CC(=O)NCCc3cccs3)cn2CC[N@H+]1C1CCCC1 ZINC000253590949 497343603 /nfs/dbraw/zinc/34/36/03/497343603.db2.gz HVLQZZZBTRCREO-OAHLLOKOSA-N 1 1 372.538 3.165 40 0 FGABMO COc1ccc2[nH]c(CN3CCO[C@H](c4cc(N)cc(C)[nH+]4)C3)cc2c1 ZINC000257247627 497394652 /nfs/dbraw/zinc/39/46/52/497394652.db2.gz IZVIVAWDPIWMDH-FQEVSTJZSA-N 1 1 352.438 3.036 40 0 FGABMO COc1cccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCC[N@H+]4C)on2)c1 ZINC000257248996 497395134 /nfs/dbraw/zinc/39/51/34/497395134.db2.gz JGFQVLKWROCWKQ-FPOVZHCZSA-N 1 1 369.465 3.439 40 0 FGABMO CCc1[nH+]ccn1CC(=O)N1C[C@@H]2CC[C@H](Oc3ccccc3Cl)[C@@H]2C1 ZINC000257262632 497396151 /nfs/dbraw/zinc/39/61/51/497396151.db2.gz LMDMHFHPKGEYCK-UXLLHSPISA-N 1 1 373.884 3.415 40 0 FGABMO Cc1c[nH]c(-c2cc(C[C@@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)ncn2)n1 ZINC000257272037 497397633 /nfs/dbraw/zinc/39/76/33/497397633.db2.gz NAVKAPRFOZXBNM-INIZCTEOSA-N 1 1 351.429 3.379 40 0 FGABMO C[N@@H+](Cc1c[nH]cn1)[C@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000257325986 497403906 /nfs/dbraw/zinc/40/39/06/497403906.db2.gz WVHJZTZASQRXRC-OCVXTVMPSA-N 1 1 369.509 3.476 40 0 FGABMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000332306884 498643211 /nfs/dbraw/zinc/64/32/11/498643211.db2.gz MEGIXGATGAPICQ-MAUKXSAKSA-N 1 1 362.495 3.262 40 0 FGABMO c1ccc(C[N@@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)nc1 ZINC000306130760 498737867 /nfs/dbraw/zinc/73/78/67/498737867.db2.gz JORARVCHTMBVGO-QFIPXVFZSA-N 1 1 357.461 3.036 40 0 FGABMO c1ccc(CN2C[C@]3(CC[N@@H+](Cc4ccccn4)C3)c3ncccc32)nc1 ZINC000306140328 498739881 /nfs/dbraw/zinc/73/98/81/498739881.db2.gz UQAOFNYCKQFLOY-JOCHJYFZSA-N 1 1 357.461 3.036 40 0 FGABMO CCNC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1ccc3c(c1)CCC3)CCO2 ZINC000306137768 498740394 /nfs/dbraw/zinc/74/03/94/498740394.db2.gz RFRMKGWINBHNMU-IFMALSPDSA-N 1 1 371.525 3.008 40 0 FGABMO CCNC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1ccc3c(c1)CCC3)CCO2 ZINC000306137768 498740399 /nfs/dbraw/zinc/74/03/99/498740399.db2.gz RFRMKGWINBHNMU-IFMALSPDSA-N 1 1 371.525 3.008 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2N1Cc1cccs1 ZINC000306142701 498742772 /nfs/dbraw/zinc/74/27/72/498742772.db2.gz XGQFKNKQGKNOIZ-OALUTQOASA-N 1 1 364.474 3.026 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2N1Cc1cccs1 ZINC000306142701 498742775 /nfs/dbraw/zinc/74/27/75/498742775.db2.gz XGQFKNKQGKNOIZ-OALUTQOASA-N 1 1 364.474 3.026 40 0 FGABMO COc1ccccc1C(=O)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408613041 499593056 /nfs/dbraw/zinc/59/30/56/499593056.db2.gz WRKTZPJBOAWZAK-LJQANCHMSA-N 1 1 350.462 3.358 40 0 FGABMO Cc1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)no1 ZINC000585105326 507572012 /nfs/dbraw/zinc/57/20/12/507572012.db2.gz UAIXQRGDPBTXOS-IBGZPJMESA-N 1 1 371.481 3.356 40 0 FGABMO Cc1ccncc1C[N@H+]1CCC[C@H](c2ccnc(Nc3cnccn3)c2)C1 ZINC000585182519 507580267 /nfs/dbraw/zinc/58/02/67/507580267.db2.gz XFPVNLKOMIXARD-SFHVURJKSA-N 1 1 360.465 3.120 40 0 FGABMO CC(=O)N1CCCC[C@H]2[C@@H]1CC[N@H+]2C[C@@]1(O)CC[C@H](C(C)(C)C)CC1 ZINC000585283209 507584395 /nfs/dbraw/zinc/58/43/95/507584395.db2.gz LVHRNIBCYDJREV-VNYTWHDVSA-N 1 1 350.547 3.429 40 0 FGABMO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@H+]2C[C@@]1(O)CC[C@H](C(C)(C)C)CC1 ZINC000585284440 507584448 /nfs/dbraw/zinc/58/44/48/507584448.db2.gz SGJNWHFOCZOYFV-RYLXDESZSA-N 1 1 350.547 3.429 40 0 FGABMO O[C@]1(COc2ccc(F)c(Cl)c2)COCC[N@H+](C2CCCCC2)C1 ZINC000585284616 507584873 /nfs/dbraw/zinc/58/48/73/507584873.db2.gz YVGCOPSLZTWMGJ-SFHVURJKSA-N 1 1 357.853 3.254 40 0 FGABMO Cc1ncc(C[NH+](C)C)c([C@H]2CCCN2C(=O)CCc2cccs2)n1 ZINC000257293693 534733962 /nfs/dbraw/zinc/73/39/62/534733962.db2.gz QQSZLQQVMYSZSQ-QGZVFWFLSA-N 1 1 358.511 3.204 40 0 FGABMO CC[C@@H]1C[N@@H+](C)[C@@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@@H]1[C@@H]2C(=O)OC ZINC000005923369 210180218 /nfs/dbraw/zinc/18/02/18/210180218.db2.gz FFVRRQMGGGTQRH-DLHOMVGQSA-N 1 1 354.450 3.042 40 0 in-vitro FGABMO c1csc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccncc4)C2)OC3)c1 ZINC000306141338 210057690 /nfs/dbraw/zinc/05/76/90/210057690.db2.gz VSQJAYIGROXWEH-IBGZPJMESA-N 1 1 352.463 3.182 40 0 FGABMO c1cc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)ccn1 ZINC000306142070 210057022 /nfs/dbraw/zinc/05/70/22/210057022.db2.gz WOPHGRZTXYVRBN-SFHVURJKSA-N 1 1 362.481 3.104 40 0 FGABMO C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)C3=CCCCC3)C2)OC1 ZINC000306141920 210056894 /nfs/dbraw/zinc/05/68/94/210056894.db2.gz WJZXBBGVJFIVRX-IBGZPJMESA-N 1 1 369.509 3.021 40 0 FGABMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccsc3)C2)cc(C(=O)N(C)C)n1 ZINC000257225834 223028360 /nfs/dbraw/zinc/02/83/60/223028360.db2.gz FIBPHVVBVHDNOI-OAHLLOKOSA-N 1 1 358.511 3.003 40 0 FGABMO Cc1c[nH]c(-c2nccnc2C[C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257231687 223030562 /nfs/dbraw/zinc/03/05/62/223030562.db2.gz GHVWVXNZOVYODJ-CQSZACIVSA-N 1 1 354.483 3.086 40 0 FGABMO Cc1c[nH]c(-c2nccnc2C[C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257231687 223030565 /nfs/dbraw/zinc/03/05/65/223030565.db2.gz GHVWVXNZOVYODJ-CQSZACIVSA-N 1 1 354.483 3.086 40 0 FGABMO Cc1nc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)sc1C ZINC000257249936 223037697 /nfs/dbraw/zinc/03/76/97/223037697.db2.gz JKIGJKRWOPMQFY-CQSZACIVSA-N 1 1 369.498 3.396 40 0 FGABMO Cc1nc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)sc1C ZINC000257249936 223037699 /nfs/dbraw/zinc/03/76/99/223037699.db2.gz JKIGJKRWOPMQFY-CQSZACIVSA-N 1 1 369.498 3.396 40 0 FGABMO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257284053 223049709 /nfs/dbraw/zinc/04/97/09/223049709.db2.gz PBBOIBAUGAQCSB-SFHVURJKSA-N 1 1 374.488 3.185 40 0 FGABMO Cc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(C(=O)Nc3cnccn3)n2)n1 ZINC000257310957 223062045 /nfs/dbraw/zinc/06/20/45/223062045.db2.gz UHIQEPQSMOTSGU-IBGZPJMESA-N 1 1 374.448 3.164 40 0 FGABMO Cc1cccc(C[N@H+]2CCC[C@H]2c2cccc(C(=O)Nc3cnccn3)n2)n1 ZINC000257310957 223062049 /nfs/dbraw/zinc/06/20/49/223062049.db2.gz UHIQEPQSMOTSGU-IBGZPJMESA-N 1 1 374.448 3.164 40 0 FGABMO C[NH+](C)Cc1cn(-c2ccccc2C(=O)NCCc2ccc(F)cc2)cn1 ZINC000257310111 223060604 /nfs/dbraw/zinc/06/06/04/223060604.db2.gz UDSRMUOSBPWSDU-UHFFFAOYSA-N 1 1 366.440 3.046 40 0 FGABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC000058955113 212015705 /nfs/dbraw/zinc/01/57/05/212015705.db2.gz SVUIIHYJGKSGOH-CQSZACIVSA-N 1 1 358.404 3.322 40 0 FGABMO Cc1nn(C)cc1C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019583832 211238864 /nfs/dbraw/zinc/23/88/64/211238864.db2.gz QBLZOKUORGPTOI-HNNXBMFYSA-N 1 1 360.845 3.127 40 0 FGABMO COc1ccc2c(c1)C=C(CN1C[C@@H]3CCC[N@H+]3C[C@@H]1CCSC)CO2 ZINC000019562279 211233949 /nfs/dbraw/zinc/23/39/49/211233949.db2.gz FWRWUFOWGFYNOE-OALUTQOASA-N 1 1 374.550 3.373 40 0 FGABMO COc1cc(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)cc(OC)c1OC ZINC000019549654 211231585 /nfs/dbraw/zinc/23/15/85/211231585.db2.gz LLNKDHRIUDSPPI-GOSISDBHSA-N 1 1 372.465 3.289 40 0 FGABMO COc1cc(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)cc(OC)c1OC ZINC000019549654 211231582 /nfs/dbraw/zinc/23/15/82/211231582.db2.gz LLNKDHRIUDSPPI-GOSISDBHSA-N 1 1 372.465 3.289 40 0 FGABMO C[C@@H]1Cc2cc(CCC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)ccc2O1 ZINC000019498125 211225452 /nfs/dbraw/zinc/22/54/52/211225452.db2.gz WJXSYKGGGGYWMU-DYESRHJHSA-N 1 1 364.489 3.458 40 0 FGABMO C[C@@H]1Cc2cc(CCC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)ccc2O1 ZINC000019498125 211225456 /nfs/dbraw/zinc/22/54/56/211225456.db2.gz WJXSYKGGGGYWMU-DYESRHJHSA-N 1 1 364.489 3.458 40 0 FGABMO Cn1cnc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)C[N@H+]3C)c1 ZINC000019290782 211211005 /nfs/dbraw/zinc/21/10/05/211211005.db2.gz FALLLZMVCNSRFP-SXLOBPIMSA-N 1 1 370.472 3.042 40 0 FGABMO O[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)[C@H](Cc3ccccc3)C[N@H+]2C1 ZINC000019372768 211218302 /nfs/dbraw/zinc/21/83/02/211218302.db2.gz BOEPSUUHEHAJOV-QHAWAJNXSA-N 1 1 356.897 3.202 40 0 FGABMO c1cnc2cccc(C[N@H+]3CC[C@@H](c4nnc(-c5cnccn5)o4)C3)c2c1 ZINC000019293249 211213962 /nfs/dbraw/zinc/21/39/62/211213962.db2.gz IVQGPYYNWGDQEG-OAHLLOKOSA-N 1 1 358.405 3.064 40 0 FGABMO CO[C@@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@]12CCCO2 ZINC000257272014 533411465 /nfs/dbraw/zinc/41/14/65/533411465.db2.gz NASNGXLMIMXCFF-TZIWHRDSSA-N 1 1 354.450 3.048 40 0 FGABMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@]12CCCO2 ZINC000257272014 533411470 /nfs/dbraw/zinc/41/14/70/533411470.db2.gz NASNGXLMIMXCFF-TZIWHRDSSA-N 1 1 354.450 3.048 40 0 FGABMO COc1cccc(OCCc2cc([C@H]3C[N@H+](CC(C)C)CCO3)[nH]n2)c1 ZINC000257251748 533665420 /nfs/dbraw/zinc/66/54/20/533665420.db2.gz JSBNEPRZNLSNGD-HXUWFJFHSA-N 1 1 359.470 3.069 40 0 FGABMO COc1cccc(OCCc2cc([C@H]3C[N@@H+](CC(C)C)CCO3)[nH]n2)c1 ZINC000257251748 533665428 /nfs/dbraw/zinc/66/54/28/533665428.db2.gz JSBNEPRZNLSNGD-HXUWFJFHSA-N 1 1 359.470 3.069 40 0 FGABMO Cc1cc(N2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)nc(C)[nH+]1 ZINC000257252018 132295460 /nfs/dbraw/zinc/29/54/60/132295460.db2.gz JTFSGMBKPCPJCO-GOSISDBHSA-N 1 1 362.437 3.205 40 0 FGABMO CC(C)Nc1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329002372 132372390 /nfs/dbraw/zinc/37/23/90/132372390.db2.gz KHWFGARVJLOKLI-AWEZNQCLSA-N 1 1 352.482 3.212 40 0 FGABMO O=C1[C@@H]2C[C@@H](C[N@H+]2C2CCCC2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111855 222029576 /nfs/dbraw/zinc/02/95/76/222029576.db2.gz HNZLFVZQPZKSJJ-ICSRJNTNSA-N 1 1 363.461 3.393 40 0 biogenic,in-vitro FGABMO Cn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)cn1 ZINC000096047550 222000308 /nfs/dbraw/zinc/00/03/08/222000308.db2.gz BXNAJNNGGCGOGX-OAQYLSRUSA-N 1 1 370.472 3.107 40 0 FGABMO COc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2=O)c1 ZINC000096050652 222000582 /nfs/dbraw/zinc/00/05/82/222000582.db2.gz FMJOYYQELBYBEK-HXUWFJFHSA-N 1 1 356.491 3.381 40 0 FGABMO c1ccc2c(c1)N(C[C@H]1CCCO1)CC21CC[NH+](CCN2CCCC2)CC1 ZINC000096241336 222097120 /nfs/dbraw/zinc/09/71/20/222097120.db2.gz CYWVTVNIPVIPDE-HXUWFJFHSA-N 1 1 369.553 3.115 40 0 FGABMO C[NH+]1CCC2(CC1)CN(Cc1ccc3c(c1)OCO3)Cc1ccccc12 ZINC000096242387 222097420 /nfs/dbraw/zinc/09/74/20/222097420.db2.gz DFLYSNUXMGIASF-UHFFFAOYSA-N 1 1 350.462 3.395 40 0 FGABMO Cc1cccc(NC(=O)N2CCCn3cnc(C[NH+]4CCCC4)c3C2)c1 ZINC000096259322 222103613 /nfs/dbraw/zinc/10/36/13/222103613.db2.gz ADBLNIJKRHFDRA-UHFFFAOYSA-N 1 1 353.470 3.225 40 0 FGABMO COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](Cc4nccs4)C[C@H]2C3)c1 ZINC000096145654 222047634 /nfs/dbraw/zinc/04/76/34/222047634.db2.gz SFXXVOSMFMLBPP-ZBFHGGJFSA-N 1 1 366.490 3.324 40 0 FGABMO CCc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)cc1 ZINC000096220097 222084405 /nfs/dbraw/zinc/08/44/05/222084405.db2.gz HJLQCIFCCHIZKG-RBBKRZOGSA-N 1 1 356.510 3.070 40 0 FGABMO c1cc(-c2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)cc(N2CCCC2)n1 ZINC000035426341 494076033 /nfs/dbraw/zinc/07/60/33/494076033.db2.gz FCTMCPHMKXAVFE-KRWDZBQOSA-N 1 1 369.469 3.048 40 0 biogenic,in-vitro FGABMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cc1O ZINC000036739988 494097911 /nfs/dbraw/zinc/09/79/11/494097911.db2.gz DRWDJBPALHWASJ-KLHJMIIUSA-N 1 1 357.425 3.270 40 0 FGABMO Fc1ccc(NC(=S)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000038561242 494115001 /nfs/dbraw/zinc/11/50/01/494115001.db2.gz IOEFSLRXAQHDFU-UHFFFAOYSA-N 1 1 359.470 3.145 40 0 FGABMO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038848883 494118483 /nfs/dbraw/zinc/11/84/83/494118483.db2.gz ATRAEAQJQRXOBN-GOSISDBHSA-N 1 1 356.441 3.363 40 0 FGABMO CC[N@H+]1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216393 494144717 /nfs/dbraw/zinc/14/47/17/494144717.db2.gz AFRQBMMCVUZAQM-QGZVFWFLSA-N 1 1 360.502 3.296 40 0 FGABMO COc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000072227787 494145256 /nfs/dbraw/zinc/14/52/56/494145256.db2.gz UDEGJDCFAXNPJD-HOTGVXAUSA-N 1 1 367.232 3.426 40 0 FGABMO CCn1ncc(C[N@H+]2C[C@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c1C ZINC000072340440 494153882 /nfs/dbraw/zinc/15/38/82/494153882.db2.gz LXHRRDLKTCIKNR-HBGVWJBISA-N 1 1 357.473 3.470 40 0 FGABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072352992 494156427 /nfs/dbraw/zinc/15/64/27/494156427.db2.gz SGMDNHPNILEWPK-GOSISDBHSA-N 1 1 371.460 3.365 40 0 FGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 ZINC000072352992 494156429 /nfs/dbraw/zinc/15/64/29/494156429.db2.gz SGMDNHPNILEWPK-GOSISDBHSA-N 1 1 371.460 3.365 40 0 FGABMO Cc1nccn1-c1cncc([C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000072355572 494157036 /nfs/dbraw/zinc/15/70/36/494157036.db2.gz MHFXLIFLZKZMBS-GOSISDBHSA-N 1 1 363.465 3.229 40 0 FGABMO OCc1ccc(-c2cncc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072359432 494157536 /nfs/dbraw/zinc/15/75/36/494157536.db2.gz XOOPQBDIPBNAQR-LJQANCHMSA-N 1 1 360.461 3.411 40 0 FGABMO COCC[N@H+]1CCC[C@@H](c2nccnc2Oc2ccc(NC(C)=O)cc2)C1 ZINC000072361790 494158809 /nfs/dbraw/zinc/15/88/09/494158809.db2.gz DGVASTXDVSGFIK-MRXNPFEDSA-N 1 1 370.453 3.053 40 0 FGABMO Cc1cnc(-c2nc(C3CC[NH+](Cc4cccc(F)c4F)CC3)no2)cn1 ZINC000012337379 494225869 /nfs/dbraw/zinc/22/58/69/494225869.db2.gz RJADRVVKCRZVAT-UHFFFAOYSA-N 1 1 371.391 3.493 40 0 FGABMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@@](O)(c2ccc(F)cc2)CC1 ZINC000019500946 494446259 /nfs/dbraw/zinc/44/62/59/494446259.db2.gz ZLPHSYRSKUEUAT-FPOVZHCZSA-N 1 1 362.489 3.290 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000107728595 494591387 /nfs/dbraw/zinc/59/13/87/494591387.db2.gz JUBQICUQWMOVFS-UZLBHIALSA-N 1 1 357.429 3.075 40 0 FGABMO Cc1ccc(SCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000047276290 494669331 /nfs/dbraw/zinc/66/93/31/494669331.db2.gz GQEJTDMCCQVYGP-UHFFFAOYSA-N 1 1 370.518 3.236 40 0 FGABMO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3C[C@H]3CCOC3)cc2n1 ZINC000247813517 496917822 /nfs/dbraw/zinc/91/78/22/496917822.db2.gz BAZADTNOPZEOSW-TZMCWYRMSA-N 1 1 354.376 3.230 40 0 FGABMO CC(C)NC(=O)[C@H]1C[N@H+](Cc2cccc3ccccc32)Cc2ncn(C)c21 ZINC000248013295 496943703 /nfs/dbraw/zinc/94/37/03/496943703.db2.gz FNSZPXWTGALYJI-IBGZPJMESA-N 1 1 362.477 3.197 40 0 FGABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2ncn(C)c21 ZINC000248013295 496943708 /nfs/dbraw/zinc/94/37/08/496943708.db2.gz FNSZPXWTGALYJI-IBGZPJMESA-N 1 1 362.477 3.197 40 0 FGABMO O=C(COc1ccccc1)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000222951952 497029836 /nfs/dbraw/zinc/02/98/36/497029836.db2.gz XUSVDMWOAXIVAY-UHFFFAOYSA-N 1 1 355.825 3.495 40 0 FGABMO Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)c2ccccc21 ZINC000225480743 497065207 /nfs/dbraw/zinc/06/52/07/497065207.db2.gz MANPJKSRXWCSNL-JXFKEZNVSA-N 1 1 361.445 3.177 40 0 biogenic,in-vitro FGABMO Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)c2ccccc21 ZINC000225480743 497065212 /nfs/dbraw/zinc/06/52/12/497065212.db2.gz MANPJKSRXWCSNL-JXFKEZNVSA-N 1 1 361.445 3.177 40 0 biogenic,in-vitro FGABMO S=C(NCCCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000242951984 497357632 /nfs/dbraw/zinc/35/76/32/497357632.db2.gz HFMMKKBMOMWMOH-UHFFFAOYSA-N 1 1 353.535 3.312 40 0 FGABMO Nc1cc(/C=C/C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000256054025 497382908 /nfs/dbraw/zinc/38/29/08/497382908.db2.gz UQXGMJUJUIEUFX-VQHVLOKHSA-N 1 1 355.869 3.280 40 0 FGABMO COc1cccc(C(=S)N2CC[NH+](C)CC2)c1OCc1ccc(F)cc1 ZINC000408572184 499592447 /nfs/dbraw/zinc/59/24/47/499592447.db2.gz FMZONBSJQNGYEC-UHFFFAOYSA-N 1 1 374.481 3.336 40 0 FGABMO Cc1ncsc1C[N@@H+]1CCC[C@H](c2cc(-c3nccn3C)nc(C)n2)C1 ZINC000585178828 507580148 /nfs/dbraw/zinc/58/01/48/507580148.db2.gz GWOKQHSJAVYODC-HNNXBMFYSA-N 1 1 368.510 3.330 40 0 FGABMO CC1(C)CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)CC1 ZINC000585282471 507584565 /nfs/dbraw/zinc/58/45/65/507584565.db2.gz KRPKQIUEICFMSH-ICSRJNTNSA-N 1 1 369.452 3.110 40 0 FGABMO Cc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[NH2+]4)n[nH]2)cc1 ZINC000257301368 534174054 /nfs/dbraw/zinc/17/40/54/534174054.db2.gz RYFBCNZFGPROIJ-RMYQPGKMSA-N 1 1 350.466 3.130 40 0 FGABMO c1cc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccccn4)C2)OC3)cs1 ZINC000306137389 534465198 /nfs/dbraw/zinc/46/51/98/534465198.db2.gz QVCKFRSDXLSZQR-LJQANCHMSA-N 1 1 352.463 3.182 40 0 FGABMO CC[N@@H+](C)[C@H]1CN(C(=O)COc2ccccc2OC)C2(C1)CCCCC2 ZINC000257237787 527864466 /nfs/dbraw/zinc/86/44/66/527864466.db2.gz HIEVGUDHONYREP-QGZVFWFLSA-N 1 1 360.498 3.330 40 0 FGABMO C[N@H+]1CCN(Cc2cscn2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257341926 529775158 /nfs/dbraw/zinc/77/51/58/529775158.db2.gz ZMLWXRBRAWYOFB-INIZCTEOSA-N 1 1 352.507 3.298 40 0 FGABMO C[NH+]1CCN(C(=O)Cc2ccc(-c3nc4ccccc4s3)cc2)CC1 ZINC000041127091 210186824 /nfs/dbraw/zinc/18/68/24/210186824.db2.gz DTZYJBMSEVUJNV-UHFFFAOYSA-N 1 1 351.475 3.280 40 0 FGABMO COc1ccccc1-c1cnc2n1C[C@@]1(CC[N@@H+](Cc3cccnc3)C1)C2 ZINC000306143667 210057301 /nfs/dbraw/zinc/05/73/01/210057301.db2.gz YIMBSWNVORRCCR-QFIPXVFZSA-N 1 1 360.461 3.402 40 0 FGABMO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@H+](Cc4cscn4)C3)n2)n1 ZINC000257245760 223035452 /nfs/dbraw/zinc/03/54/52/223035452.db2.gz IQZDGMJEQNMYFP-CQSZACIVSA-N 1 1 354.483 3.320 40 0 FGABMO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@@H+](Cc4cscn4)C3)n2)n1 ZINC000257245760 223035457 /nfs/dbraw/zinc/03/54/57/223035457.db2.gz IQZDGMJEQNMYFP-CQSZACIVSA-N 1 1 354.483 3.320 40 0 FGABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)c1 ZINC000257281612 223049758 /nfs/dbraw/zinc/04/97/58/223049758.db2.gz OQCWFBZADQRZEE-GOSISDBHSA-N 1 1 363.469 3.303 40 0 FGABMO Cc1cccnc1Nc1cc(CC2CC[NH+](Cc3c[nH]cn3)CC2)ncn1 ZINC000257298891 223056475 /nfs/dbraw/zinc/05/64/75/223056475.db2.gz RNRXIAKKZJDXGZ-UHFFFAOYSA-N 1 1 363.469 3.101 40 0 FGABMO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000257299659 223056545 /nfs/dbraw/zinc/05/65/45/223056545.db2.gz RQZKDRJAXQYHTF-CYBMUJFWSA-N 1 1 355.471 3.088 40 0 FGABMO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000257299659 223056548 /nfs/dbraw/zinc/05/65/48/223056548.db2.gz RQZKDRJAXQYHTF-CYBMUJFWSA-N 1 1 355.471 3.088 40 0 FGABMO COc1ccccc1-c1cc(C(=O)N2CCC[C@@H]3[N@@H+](C)CCC[C@@]32C)[nH]n1 ZINC000257334303 223069225 /nfs/dbraw/zinc/06/92/25/223069225.db2.gz YFJBYUZKJCOOMP-FPOVZHCZSA-N 1 1 368.481 3.174 40 0 FGABMO COc1ccccc1-c1cc(C(=O)N2CCC[C@@H]3[N@H+](C)CCC[C@@]32C)n[nH]1 ZINC000257334303 223069228 /nfs/dbraw/zinc/06/92/28/223069228.db2.gz YFJBYUZKJCOOMP-FPOVZHCZSA-N 1 1 368.481 3.174 40 0 FGABMO COc1ccccc1-c1cc(C(=O)N2CCC[C@@H]3[N@@H+](C)CCC[C@@]32C)n[nH]1 ZINC000257334303 223069232 /nfs/dbraw/zinc/06/92/32/223069232.db2.gz YFJBYUZKJCOOMP-FPOVZHCZSA-N 1 1 368.481 3.174 40 0 FGABMO Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023473180 211389150 /nfs/dbraw/zinc/38/91/50/211389150.db2.gz RTCVXESSJXCWCW-FQEVSTJZSA-N 1 1 374.912 3.206 40 0 FGABMO Cc1ccc([C@@H](O)C[N@H+]2CCCN(Cc3ncccc3C)CC2)c(C)c1 ZINC000022887457 211367153 /nfs/dbraw/zinc/36/71/53/211367153.db2.gz PNALMXWLBIBGGR-QFIPXVFZSA-N 1 1 353.510 3.248 40 0 FGABMO Cc1ccc([C@@H](O)CN2CCC[N@H+](Cc3ncccc3C)CC2)c(C)c1 ZINC000022887457 211367155 /nfs/dbraw/zinc/36/71/55/211367155.db2.gz PNALMXWLBIBGGR-QFIPXVFZSA-N 1 1 353.510 3.248 40 0 FGABMO Cc1ccc([C@@H](O)CN2CCC[N@@H+](Cc3ncccc3C)CC2)c(C)c1 ZINC000022887457 211367157 /nfs/dbraw/zinc/36/71/57/211367157.db2.gz PNALMXWLBIBGGR-QFIPXVFZSA-N 1 1 353.510 3.248 40 0 FGABMO COc1ccc2c(c1)OCC(C[N@H+]1CC[C@](O)(c3ccc(C)cc3)C1)=C2 ZINC000019715759 211249711 /nfs/dbraw/zinc/24/97/11/211249711.db2.gz MLFAGNFDGIPYEK-JOCHJYFZSA-N 1 1 351.446 3.373 40 0 FGABMO CC(C)c1nc2c(nnn2C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(=O)[nH]1 ZINC000019453789 211223786 /nfs/dbraw/zinc/22/37/86/211223786.db2.gz WFNNNFOLTKWTQY-CYBMUJFWSA-N 1 1 372.498 3.024 40 0 FGABMO COc1ccccc1/C=C/C[N@@H+]1CCC[C@]2(C1)OCCc1cnc(C)nc12 ZINC000019287388 211212213 /nfs/dbraw/zinc/21/22/13/211212213.db2.gz BXKATAACYAQTLP-QNBZTBGESA-N 1 1 365.477 3.371 40 0 FGABMO COc1ccccc1/C=C/C[N@H+]1CCC[C@]2(C1)OCCc1cnc(C)nc12 ZINC000019287388 211212217 /nfs/dbraw/zinc/21/22/17/211212217.db2.gz BXKATAACYAQTLP-QNBZTBGESA-N 1 1 365.477 3.371 40 0 FGABMO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3nc4ccccc4n3C)C[C@H]21 ZINC000019237859 211209646 /nfs/dbraw/zinc/20/96/46/211209646.db2.gz PRPBFAKHYIMGJB-JKSBSHDWSA-N 1 1 362.477 3.006 40 0 FGABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019449953 211220518 /nfs/dbraw/zinc/22/05/18/211220518.db2.gz WZLOGCZSUCPQGZ-WOJBJXKFSA-N 1 1 368.452 3.281 40 0 FGABMO Fc1cccc(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)c1F ZINC000019292682 211214244 /nfs/dbraw/zinc/21/42/44/211214244.db2.gz NGLIBXQTBNVVSI-UHFFFAOYSA-N 1 1 361.436 3.084 40 0 FGABMO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3C[C@@H]3CCOC3)cc2n1 ZINC000019116838 211201777 /nfs/dbraw/zinc/20/17/77/211201777.db2.gz BAZADTNOPZEOSW-JSGCOSHPSA-N 1 1 354.376 3.230 40 0 FGABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2cc(N)n3nc(C)cc3n2)C1 ZINC000019129329 211204728 /nfs/dbraw/zinc/20/47/28/211204728.db2.gz NGJINJLYZJVVAZ-OAHLLOKOSA-N 1 1 351.454 3.008 40 0 FGABMO Cc1ccc(S(=O)(=O)[C@H](CC(=O)CC[NH+](C)C)c2ccccc2)cc1 ZINC000001557801 210360730 /nfs/dbraw/zinc/36/07/30/210360730.db2.gz IUYJYRVZSJTXLP-HXUWFJFHSA-N 1 1 359.491 3.421 40 0 FGABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2ccc3c(C)nn(C)c3n2)C1 ZINC000257342852 533089473 /nfs/dbraw/zinc/08/94/73/533089473.db2.gz ZQJHRLPOYKRPBK-OAHLLOKOSA-N 1 1 350.470 3.093 40 0 FGABMO CC(C)c1cc(N2Cc3ccccc3CC2(C)C)nc(N[C@H](C)CO)[nH+]1 ZINC000329070263 132373211 /nfs/dbraw/zinc/37/32/11/132373211.db2.gz ZFPGNIMPOHXRAM-OAHLLOKOSA-N 1 1 354.498 3.156 40 0 FGABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)s1 ZINC000096050908 222001003 /nfs/dbraw/zinc/00/10/03/222001003.db2.gz VPKFMDQXBCPYJZ-SFHVURJKSA-N 1 1 361.536 3.446 40 0 FGABMO COc1ccc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)cc1 ZINC000096056372 222004980 /nfs/dbraw/zinc/00/49/80/222004980.db2.gz WZSMWRBPVUCVPV-NJYVYQBISA-N 1 1 356.466 3.152 40 0 FGABMO COc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)cc1 ZINC000096058346 222006613 /nfs/dbraw/zinc/00/66/13/222006613.db2.gz XUWJYAMPVSLSAJ-VABKMULXSA-N 1 1 364.489 3.298 40 0 FGABMO c1csc(C[N@H+]2Cc3ccnn3C[C@@H](COCc3cccnc3)C2)c1 ZINC000096059231 222007202 /nfs/dbraw/zinc/00/72/02/222007202.db2.gz JKQKHYZPMGCTID-KRWDZBQOSA-N 1 1 354.479 3.188 40 0 FGABMO c1csc(C[N@@H+]2Cc3ccnn3C[C@@H](COCc3cccnc3)C2)c1 ZINC000096059231 222007203 /nfs/dbraw/zinc/00/72/03/222007203.db2.gz JKQKHYZPMGCTID-KRWDZBQOSA-N 1 1 354.479 3.188 40 0 FGABMO Cc1nc(CN2CCOC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)cs1 ZINC000096062401 222009666 /nfs/dbraw/zinc/00/96/66/222009666.db2.gz PRGMHPYKINQAQH-GOSISDBHSA-N 1 1 363.552 3.238 40 0 FGABMO Cc1occc1C(=O)N1CCC2(CC([N@@H+](C)Cc3ccccn3)C2)CC1 ZINC000096159267 222057993 /nfs/dbraw/zinc/05/79/93/222057993.db2.gz GBZCAXXNTKRIGM-UHFFFAOYSA-N 1 1 353.466 3.500 40 0 FGABMO Cc1cnc(N[C@@H]2CCO[C@]3(CC[N@@H+](CCc4ccccc4)C3)C2)nc1 ZINC000096206768 222075670 /nfs/dbraw/zinc/07/56/70/222075670.db2.gz XMSNAICBYCYEFR-TZIWHRDSSA-N 1 1 352.482 3.063 40 0 FGABMO CN(C)C(=O)C[C@@H]1OC[C@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@H]21 ZINC000096206987 222075742 /nfs/dbraw/zinc/07/57/42/222075742.db2.gz VCHQYUOVUPTPCY-NRSPTQNISA-N 1 1 352.478 3.155 40 0 FGABMO O=S(=O)(c1ccc2ccccc2c1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004143021 493866606 /nfs/dbraw/zinc/86/66/06/493866606.db2.gz QPKYIYQFMYDLSP-SCWSEQNSSA-N 1 1 370.518 3.335 40 0 FGABMO COc1ccc(CCNC(=O)C[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000005720774 493940951 /nfs/dbraw/zinc/94/09/51/493940951.db2.gz LAWMEIHZZNVQFV-MSOLQXFVSA-N 1 1 360.498 3.017 40 0 FGABMO CC[C@H](OC[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000034930255 494070172 /nfs/dbraw/zinc/07/01/72/494070172.db2.gz NBGUEXHMAOEBRK-KNQAVFIVSA-N 1 1 372.484 3.477 40 0 FGABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227715 494145121 /nfs/dbraw/zinc/14/51/21/494145121.db2.gz CJXFASBDFFJDJM-HOTGVXAUSA-N 1 1 365.216 3.180 40 0 FGABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227716 494145185 /nfs/dbraw/zinc/14/51/85/494145185.db2.gz CJXFASBDFFJDJM-HZPDHXFCSA-N 1 1 365.216 3.180 40 0 FGABMO O=C(CCc1ccccc1)N1C[C@@H]2CCCC[N@H+](C3CCOCC3)[C@@H]2C1 ZINC000072330667 494152498 /nfs/dbraw/zinc/15/24/98/494152498.db2.gz OBWHCPIXKVATAR-PZJWPPBQSA-N 1 1 356.510 3.111 40 0 FGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4F)C3)cc(N)n2n1 ZINC000072339798 494154016 /nfs/dbraw/zinc/15/40/16/494154016.db2.gz XOQHVDIJJNXRMI-CYBMUJFWSA-N 1 1 357.408 3.278 40 0 FGABMO COCc1ccc(OC)c(C[N@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)c1 ZINC000072343292 494154490 /nfs/dbraw/zinc/15/44/90/494154490.db2.gz FIPQWHFJBRGSRI-PZJWPPBQSA-N 1 1 366.461 3.385 40 0 FGABMO COCc1ccc(OC)c(C[N@@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)c1 ZINC000072343292 494154493 /nfs/dbraw/zinc/15/44/93/494154493.db2.gz FIPQWHFJBRGSRI-PZJWPPBQSA-N 1 1 366.461 3.385 40 0 FGABMO COc1cc2c(cc1OC)[C@H](C)N([C@@H]1CCC[N@@H+](C[C@@H]3CCOC3)C1)CC2 ZINC000072342501 494154881 /nfs/dbraw/zinc/15/48/81/494154881.db2.gz CTQLUGWXNRBAFM-JENIJYKNSA-N 1 1 374.525 3.124 40 0 FGABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349523 494156444 /nfs/dbraw/zinc/15/64/44/494156444.db2.gz SEFRZLGRGZXPTQ-QGZVFWFLSA-N 1 1 355.457 3.079 40 0 FGABMO Nc1cc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CCOc3ccccc3)C2)ccn1 ZINC000072356491 494157084 /nfs/dbraw/zinc/15/70/84/494157084.db2.gz AYZJNTQAPJOIFJ-KRWDZBQOSA-N 1 1 363.465 3.312 40 0 FGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000044908387 494388284 /nfs/dbraw/zinc/38/82/84/494388284.db2.gz KZRLZMKQDDRMMC-HXUWFJFHSA-N 1 1 354.498 3.316 40 0 FGABMO CN(CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000044916759 494388296 /nfs/dbraw/zinc/38/82/96/494388296.db2.gz KJKFMTOYMRPSEG-IBGZPJMESA-N 1 1 369.484 3.290 40 0 FGABMO Cn1cc([C@@H](O)C[NH+]2CCN(c3ccc(F)cc3F)CC2)c2ccccc21 ZINC000019290381 494440870 /nfs/dbraw/zinc/44/08/70/494440870.db2.gz IAQUXEREKHCGIF-NRFANRHFSA-N 1 1 371.431 3.312 40 0 FGABMO Cn1cc(C[N@H+]2CC[C@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000019704722 494455246 /nfs/dbraw/zinc/45/52/46/494455246.db2.gz HDOTWOAFIGRKQZ-HNNXBMFYSA-N 1 1 371.872 3.365 40 0 FGABMO Cn1cc(C[N@@H+]2CC[C@H](c3cc(COc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000019704722 494455250 /nfs/dbraw/zinc/45/52/50/494455250.db2.gz HDOTWOAFIGRKQZ-HNNXBMFYSA-N 1 1 371.872 3.365 40 0 FGABMO Cn1cc(C[N@H+]2CC[C@H](c3cc(COc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000019704722 494455256 /nfs/dbraw/zinc/45/52/56/494455256.db2.gz HDOTWOAFIGRKQZ-HNNXBMFYSA-N 1 1 371.872 3.365 40 0 FGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1cnc(C(C)C)nc1 ZINC000022931861 494543889 /nfs/dbraw/zinc/54/38/89/494543889.db2.gz KNZPVMTWXYJNPN-HXUWFJFHSA-N 1 1 353.514 3.482 40 0 FGABMO c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)nc1 ZINC000096040187 494997296 /nfs/dbraw/zinc/99/72/96/494997296.db2.gz SQNPUZHTVDNRGL-LEWJYISDSA-N 1 1 353.466 3.065 40 0 FGABMO Fc1cccnc1OC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccncc1)C2 ZINC000096040476 494998003 /nfs/dbraw/zinc/99/80/03/494998003.db2.gz ZBWJZMOHNWESKS-ICSRJNTNSA-N 1 1 357.429 3.066 40 0 FGABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@@H]3C2)s1 ZINC000096043064 494998901 /nfs/dbraw/zinc/99/89/01/494998901.db2.gz WJJDPDNFVBIZSD-JCGIZDLHSA-N 1 1 357.479 3.070 40 0 FGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc(C)n4)C3=O)C2)o1 ZINC000096048793 494999707 /nfs/dbraw/zinc/99/97/07/494999707.db2.gz KUYMHWKDMZMYCH-OAQYLSRUSA-N 1 1 353.466 3.306 40 0 FGABMO c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)nc1 ZINC000247834723 496920292 /nfs/dbraw/zinc/92/02/92/496920292.db2.gz ISSPGGPHHDAFOE-RTWAWAEBSA-N 1 1 353.466 3.065 40 0 FGABMO c1csc(COC[C@@H]2CC[C@@H]3[C@H]2OCC[N@@H+]3Cc2ccsc2)n1 ZINC000247918734 496927528 /nfs/dbraw/zinc/92/75/28/496927528.db2.gz ZXPMAIBWOQTFOA-UXLLHSPISA-N 1 1 350.509 3.401 40 0 FGABMO c1csc(COC[C@@H]2CC[C@@H]3[C@H]2OCC[N@H+]3Cc2ccsc2)n1 ZINC000247918734 496927534 /nfs/dbraw/zinc/92/75/34/496927534.db2.gz ZXPMAIBWOQTFOA-UXLLHSPISA-N 1 1 350.509 3.401 40 0 FGABMO COC[C@@H]1CN(Cc2csc(C)n2)CC12CC[NH+](CC1CCC1)CC2 ZINC000247940451 496930049 /nfs/dbraw/zinc/93/00/49/496930049.db2.gz GCSYFPPUXXQFKM-SFHVURJKSA-N 1 1 363.571 3.412 40 0 FGABMO CC[N@H+]1CC[C@H](CCc2ccc(NC(=O)[C@H]3CC(=O)N(C)C3)cc2)[C@H](C)C1 ZINC000248095835 496954077 /nfs/dbraw/zinc/95/40/77/496954077.db2.gz CXLXDKSFGIPBPR-NEWSRXKRSA-N 1 1 371.525 3.014 40 0 FGABMO Cc1nn(C[C@@H](C)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c(C)c1Cl ZINC000248126647 496959240 /nfs/dbraw/zinc/95/92/40/496959240.db2.gz LXTMDAFIESRTPQ-KDOFPFPSSA-N 1 1 374.916 3.305 40 0 FGABMO Cc1nn(C[C@@H](C)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1Cl ZINC000248126647 496959242 /nfs/dbraw/zinc/95/92/42/496959242.db2.gz LXTMDAFIESRTPQ-KDOFPFPSSA-N 1 1 374.916 3.305 40 0 FGABMO c1coc(C[N@H+]2C[C@@H]3CN([C@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000253595867 497344232 /nfs/dbraw/zinc/34/42/32/497344232.db2.gz JYWYAYBTUYRDFJ-RZUBCFFCSA-N 1 1 352.478 3.144 40 0 FGABMO Cc1c[nH]c(-c2cnc(C[C@@H]3CC[N@@H+](Cc4scnc4C)C3)cn2)n1 ZINC000585178833 507580289 /nfs/dbraw/zinc/58/02/89/507580289.db2.gz IGVKOHKUNRHEGK-AWEZNQCLSA-N 1 1 354.483 3.005 40 0 FGABMO CCOCCOc1ccc(C[N@@H+](C)C[C@H](O)COC2CCCCC2)cc1 ZINC000585270272 507581396 /nfs/dbraw/zinc/58/13/96/507581396.db2.gz SHLQWUKFHUSELT-IBGZPJMESA-N 1 1 365.514 3.244 40 0 FGABMO O=C(c1ccn(C(F)F)n1)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CC1 ZINC000257214406 534760198 /nfs/dbraw/zinc/76/01/98/534760198.db2.gz CLVYDPHVFNGJGL-HZPDHXFCSA-N 1 1 352.429 3.147 40 0 FGABMO CC(C)(C)c1ccc2c(c1)[C@@H]1O[C@@H]3CC[N@H+](CC(N)=O)[C@@H]3C[C@H]1C(C)(C)O2 ZINC000257219503 526793364 /nfs/dbraw/zinc/79/33/64/526793364.db2.gz DHAFZFRQGAPRHN-CIWUYKSXSA-N 1 1 372.509 3.161 40 0 FGABMO CC(C)(C)c1ccc2c(c1)[C@@H]1O[C@@H]3CC[N@@H+](CC(N)=O)[C@@H]3C[C@H]1C(C)(C)O2 ZINC000257219503 526793369 /nfs/dbraw/zinc/79/33/69/526793369.db2.gz DHAFZFRQGAPRHN-CIWUYKSXSA-N 1 1 372.509 3.161 40 0 FGABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1ccc(F)cc1F ZINC000257280105 529824100 /nfs/dbraw/zinc/82/41/00/529824100.db2.gz OJLTXQVGDGJJNL-XBQLCILLSA-N 1 1 364.436 3.207 40 0 FGABMO CN1CCN(C(=O)C2CC2)C[C@H]1c1[nH+]cn2cc(-c3ccccc3)ccc12 ZINC000306128347 210051493 /nfs/dbraw/zinc/05/14/93/210051493.db2.gz GYJFWHFVDMVKRH-FQEVSTJZSA-N 1 1 360.461 3.226 40 0 FGABMO CC(C)n1cnc([C@@H]2C[N@H+](C3CCC3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306129318 210051396 /nfs/dbraw/zinc/05/13/96/210051396.db2.gz IAMHDMGPRYUSLX-RXVVDRJESA-N 1 1 356.514 3.044 40 0 FGABMO COc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccco4)C2)OC3)cc1 ZINC000306129336 210050734 /nfs/dbraw/zinc/05/07/34/210050734.db2.gz IAXJNHCWLZLRIH-OAQYLSRUSA-N 1 1 365.433 3.327 40 0 FGABMO Clc1ccc(C[N@@H+]2CCOC[C@@H](Cc3nccn4cccc34)C2)nc1 ZINC000257242037 223035155 /nfs/dbraw/zinc/03/51/55/223035155.db2.gz IATVHSHRSXXFJC-HNNXBMFYSA-N 1 1 356.857 3.074 40 0 FGABMO Clc1ccc(C[N@H+]2CCOC[C@@H](Cc3nccn4cccc34)C2)nc1 ZINC000257242037 223035158 /nfs/dbraw/zinc/03/51/58/223035158.db2.gz IATVHSHRSXXFJC-HNNXBMFYSA-N 1 1 356.857 3.074 40 0 FGABMO Cc1cnccc1C[N@H+]1CCC[C@@H](c2nccnc2Nc2cnccn2)C1 ZINC000257256033 223040419 /nfs/dbraw/zinc/04/04/19/223040419.db2.gz KJUORQNNUURBPC-QGZVFWFLSA-N 1 1 361.453 3.093 40 0 FGABMO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257259705 223041635 /nfs/dbraw/zinc/04/16/35/223041635.db2.gz KZPNGQLLVZUCEJ-GOSISDBHSA-N 1 1 363.469 3.384 40 0 FGABMO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257259705 223041638 /nfs/dbraw/zinc/04/16/38/223041638.db2.gz KZPNGQLLVZUCEJ-GOSISDBHSA-N 1 1 363.469 3.384 40 0 FGABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(N(C)C)c2)cc1CO ZINC000257266787 223043810 /nfs/dbraw/zinc/04/38/10/223043810.db2.gz MENUXHXZRJMWLS-IBGZPJMESA-N 1 1 355.482 3.376 40 0 FGABMO Cc1cccc(Nc2cc(C[C@H]3CCC[N@H+](Cc4cc[nH]n4)C3)ncn2)n1 ZINC000257300730 223056254 /nfs/dbraw/zinc/05/62/54/223056254.db2.gz RVLYITXJRKMMSR-MRXNPFEDSA-N 1 1 363.469 3.101 40 0 FGABMO Cc1cccc(Nc2cc(C[C@H]3CCC[N@@H+](Cc4cc[nH]n4)C3)ncn2)n1 ZINC000257300730 223056258 /nfs/dbraw/zinc/05/62/58/223056258.db2.gz RVLYITXJRKMMSR-MRXNPFEDSA-N 1 1 363.469 3.101 40 0 FGABMO Cc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000021973002 211332657 /nfs/dbraw/zinc/33/26/57/211332657.db2.gz ZCUUDFMXAGGVJK-UHFFFAOYSA-N 1 1 352.478 3.076 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@H](c3nn(C)c4nccnc34)C2)c(C)c1C ZINC000019577355 211235969 /nfs/dbraw/zinc/23/59/69/211235969.db2.gz NPCNGCRNOMEWNP-KRWDZBQOSA-N 1 1 365.481 3.368 40 0 FGABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000019575932 211234700 /nfs/dbraw/zinc/23/47/00/211234700.db2.gz OTXJAWDMHUKOCI-RRFJBIMHSA-N 1 1 369.490 3.196 40 0 FGABMO COc1cc2c(cc1OC)[C@@H]([C@H]1CCOC1)[NH2+][C@@H](c1cccnc1OC)C2 ZINC000019550785 211231028 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COc1ccc(CN2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096055154 222004956 /nfs/dbraw/zinc/00/49/56/222004956.db2.gz LATIFVFCHPNAAX-WIYYLYMNSA-N 1 1 356.441 3.172 40 0 FGABMO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](COCc3ccccn3)C2)o1 ZINC000096059245 222006803 /nfs/dbraw/zinc/00/68/03/222006803.db2.gz FUOOZNBIHQXRGU-QGZVFWFLSA-N 1 1 352.438 3.028 40 0 FGABMO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](COCc3ccccn3)C2)o1 ZINC000096059245 222006805 /nfs/dbraw/zinc/00/68/05/222006805.db2.gz FUOOZNBIHQXRGU-QGZVFWFLSA-N 1 1 352.438 3.028 40 0 FGABMO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4F)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261478 222104796 /nfs/dbraw/zinc/10/47/96/222104796.db2.gz XSHVLUJLTOKWHH-PLMTUMEDSA-N 1 1 355.457 3.077 40 0 FGABMO O=C(Nc1ccccc1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCOCC1)C2 ZINC000096215416 222080423 /nfs/dbraw/zinc/08/04/23/222080423.db2.gz JFQIAVVEUHAHRS-NRFANRHFSA-N 1 1 357.498 3.433 40 0 FGABMO Clc1cncc(OC[C@H]2CO[C@@H]3C[N@@H+](Cc4ccsc4)C[C@H]23)c1 ZINC000096219490 222084510 /nfs/dbraw/zinc/08/45/10/222084510.db2.gz RHDFDRHIKFPGOT-IAOVAPTHSA-N 1 1 350.871 3.322 40 0 FGABMO c1csc(C[N@@H+]2CCC[C@@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096229316 222091426 /nfs/dbraw/zinc/09/14/26/222091426.db2.gz GKWXDZYIMJVOSE-FQEVSTJZSA-N 1 1 357.523 3.258 40 0 FGABMO O=S(=O)(c1ccc2ccccc2c1)N1CC[NH+]([C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000101242430 222266573 /nfs/dbraw/zinc/26/65/73/222266573.db2.gz QPKYIYQFMYDLSP-LKUPVBHCSA-N 1 1 370.518 3.335 40 0 FGABMO CC1(C)CC(NC(=S)SCc2cn3cccnc3n2)CC(C)(C)[NH2+]1 ZINC000004391282 263332828 /nfs/dbraw/zinc/33/28/28/263332828.db2.gz SODYHHGAZGHEBE-UHFFFAOYSA-N 1 1 363.556 3.146 40 0 FGABMO Cc1ccc(C)c([C@H](O)C[N@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 ZINC000036734375 494096819 /nfs/dbraw/zinc/09/68/19/494096819.db2.gz IOWLGHNBLZEGCQ-PZJWPPBQSA-N 1 1 358.526 3.451 40 0 FGABMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCOCC1 ZINC000038832731 494118931 /nfs/dbraw/zinc/11/89/31/494118931.db2.gz ORAKMRBXTUXVSD-AWEZNQCLSA-N 1 1 357.281 3.064 40 0 FGABMO 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40 0 FGABMO CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408706270 499594152 /nfs/dbraw/zinc/59/41/52/499594152.db2.gz YZAMTPKMNAMCCX-OAQYLSRUSA-N 1 1 368.477 3.197 40 0 FGABMO Cc1c[nH]c(-c2cnc(C[C@H]3CC[N@@H+](Cc4scnc4C)C3)cn2)n1 ZINC000585178834 507580446 /nfs/dbraw/zinc/58/04/46/507580446.db2.gz IGVKOHKUNRHEGK-CQSZACIVSA-N 1 1 354.483 3.005 40 0 FGABMO Cc1cc(C)cc(OC[C@@]2(O)C[N@H+](C3CCC(C)(C)CC3)CC[C@@H]2O)c1 ZINC000585288138 507585583 /nfs/dbraw/zinc/58/55/83/507585583.db2.gz XHTBFVBJFFORKA-UNMCSNQZSA-N 1 1 361.526 3.449 40 0 FGABMO Cc1cccc(O[C@@H]2CCC[C@H]([N@@H+](CCO)Cc3ccccc3)[C@H]2O)c1 ZINC000585288572 507586759 /nfs/dbraw/zinc/58/67/59/507586759.db2.gz DZKVAFFKYPXSOK-BHDDXSALSA-N 1 1 355.478 3.150 40 0 FGABMO CCOc1cc(C=O)ccc1OCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000217791840 520691828 /nfs/dbraw/zinc/69/18/28/520691828.db2.gz HNJAZCDDUOICEU-UHFFFAOYSA-N 1 1 368.477 3.489 40 0 FGABMO CSc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000020485558 526053774 /nfs/dbraw/zinc/05/37/74/526053774.db2.gz XWZJUARIHULARF-UHFFFAOYSA-N 1 1 373.503 3.381 40 0 FGABMO CCC[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1cccs1 ZINC000514290361 560029722 /nfs/dbraw/zinc/02/97/22/560029722.db2.gz YPXLJHATGPYVPA-JENIJYKNSA-N 1 1 350.528 3.331 40 0 biogenic,in-vitro FGABMO C[N@H+]1CCC[C@@H]2N(C(=O)COc3ccc(F)c(Cl)c3)CCC[C@@]21C ZINC000257342402 530059156 /nfs/dbraw/zinc/05/91/56/530059156.db2.gz ZOKNVMBUYWOZSN-WMZOPIPTSA-N 1 1 354.853 3.333 40 0 FGABMO c1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)ccn1 ZINC000306142069 210057325 /nfs/dbraw/zinc/05/73/25/210057325.db2.gz WOPHGRZTXYVRBN-GOSISDBHSA-N 1 1 362.481 3.104 40 0 FGABMO Cc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccccn4)C2)OC3)c1 ZINC000306127641 210052112 /nfs/dbraw/zinc/05/21/12/210052112.db2.gz GDZATIKBOSSGIA-JOCHJYFZSA-N 1 1 360.461 3.428 40 0 FGABMO Cc1cccc(Nc2cc(C[C@H]3CCC[N@H+](Cc4ncc[nH]4)C3)ncn2)n1 ZINC000257205465 223018235 /nfs/dbraw/zinc/01/82/35/223018235.db2.gz AZEJGJVVDGGYOC-MRXNPFEDSA-N 1 1 363.469 3.101 40 0 FGABMO Cc1cccc(Nc2cc(C[C@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)ncn2)n1 ZINC000257205465 223018236 /nfs/dbraw/zinc/01/82/36/223018236.db2.gz AZEJGJVVDGGYOC-MRXNPFEDSA-N 1 1 363.469 3.101 40 0 FGABMO Cc1nc(Nc2ncccn2)cc([C@H]2CCCC[N@H+]2CC2CCOCC2)n1 ZINC000257296211 223055447 /nfs/dbraw/zinc/05/54/47/223055447.db2.gz RBTABXDCSMWKTK-GOSISDBHSA-N 1 1 368.485 3.272 40 0 FGABMO Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2ccc(S(C)(=O)=O)cc2)ccn1 ZINC000257322378 223065961 /nfs/dbraw/zinc/06/59/61/223065961.db2.gz WFSVHGBAUBFGAP-IBGZPJMESA-N 1 1 358.507 3.391 40 0 FGABMO Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2ccc(S(C)(=O)=O)cc2)ccn1 ZINC000257322378 223065963 /nfs/dbraw/zinc/06/59/63/223065963.db2.gz WFSVHGBAUBFGAP-IBGZPJMESA-N 1 1 358.507 3.391 40 0 FGABMO COc1c(C[N@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c(C)nn1C ZINC000019654486 211243613 /nfs/dbraw/zinc/24/36/13/211243613.db2.gz BTGDAQSNBSBHKP-HNNXBMFYSA-N 1 1 353.470 3.068 40 0 FGABMO Cc1nc2ccccc2n1Cc1cc(NC[C@H]2CCC[N@H+](C)C2)nc(C)n1 ZINC000019655897 211242828 /nfs/dbraw/zinc/24/28/28/211242828.db2.gz DHLRTRNMQMIEKP-QGZVFWFLSA-N 1 1 364.497 3.245 40 0 FGABMO COc1cccc(C[N@@H+]2CCN(C(=O)c3ccc(N(C)C)cc3)[C@@H](C)C2)c1 ZINC000019575618 211235580 /nfs/dbraw/zinc/23/55/80/211235580.db2.gz VKXIZDBPYXHYFR-KRWDZBQOSA-N 1 1 367.493 3.108 40 0 FGABMO COc1cccc(C[N@H+]2CCN(C(=O)c3ccc(N(C)C)cc3)[C@@H](C)C2)c1 ZINC000019575618 211235586 /nfs/dbraw/zinc/23/55/86/211235586.db2.gz VKXIZDBPYXHYFR-KRWDZBQOSA-N 1 1 367.493 3.108 40 0 FGABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)c(OC)c1)Cc1ccccn1 ZINC000019527124 211227214 /nfs/dbraw/zinc/22/72/14/211227214.db2.gz GDWAMTFGGPCSSO-IBGZPJMESA-N 1 1 355.482 3.282 40 0 FGABMO O=C(c1cc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)no1)N1CCCC1 ZINC000019371271 211218770 /nfs/dbraw/zinc/21/87/70/211218770.db2.gz LGEDQPDCXHWCKS-GOSISDBHSA-N 1 1 353.466 3.333 40 0 FGABMO COc1ccc(OC)c(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)c1 ZINC000019215793 211205509 /nfs/dbraw/zinc/20/55/09/211205509.db2.gz IZMBGBIPCSOVJX-NBCNXNJRSA-N 1 1 368.477 3.137 40 0 FGABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)Nc1cccc(Cl)c1 ZINC000018174768 211194370 /nfs/dbraw/zinc/19/43/70/211194370.db2.gz AUZUSGXPRMJCLH-UHFFFAOYSA-N 1 1 359.857 3.494 40 0 FGABMO CCC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019501869 220262909 /nfs/dbraw/zinc/26/29/09/220262909.db2.gz MFJHMUHECPERHA-FQEVSTJZSA-N 1 1 368.529 3.447 40 0 FGABMO COc1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3cncc(N(C)C)n3)cc2c1 ZINC000257261266 533234495 /nfs/dbraw/zinc/23/44/95/533234495.db2.gz LGLZYQWWMRCUSU-LJQANCHMSA-N 1 1 351.454 3.370 40 0 FGABMO COc1ccc2[nH]c(C[N@H+]3CCC[C@@H]3c3cncc(N(C)C)n3)cc2c1 ZINC000257261266 533234501 /nfs/dbraw/zinc/23/45/01/533234501.db2.gz LGLZYQWWMRCUSU-LJQANCHMSA-N 1 1 351.454 3.370 40 0 FGABMO COc1cccc(-c2cc(C(=O)N3CCC[C@]4(C)[NH2+]CCCC[C@H]34)n[nH]2)c1 ZINC000257239955 533367916 /nfs/dbraw/zinc/36/79/16/533367916.db2.gz HROFEZNSCGMYBW-FPOVZHCZSA-N 1 1 368.481 3.222 40 0 FGABMO Cc1ncsc1C[N@H+]1CC[C@H]2OCC[C@@]2(COCc2cccnc2)C1 ZINC000096110398 222028038 /nfs/dbraw/zinc/02/80/38/222028038.db2.gz PHINXVGIKVRAIT-MOPGFXCFSA-N 1 1 359.495 3.044 40 0 FGABMO Cc1nc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cs1 ZINC000096050625 222001017 /nfs/dbraw/zinc/00/10/17/222001017.db2.gz ZRRQOALIVLNCHF-IBGZPJMESA-N 1 1 359.470 3.215 40 0 FGABMO Cc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)o1 ZINC000096052253 222002900 /nfs/dbraw/zinc/00/29/00/222002900.db2.gz DWALCSUBUOCBSC-LJQANCHMSA-N 1 1 354.450 3.455 40 0 FGABMO c1nc2c(n1CC1CC1)[C@H](COCc1cccnc1)C[N@H+](C1CCC1)C2 ZINC000096068679 222010384 /nfs/dbraw/zinc/01/03/84/222010384.db2.gz QQXAHJBBVAYPKH-SFHVURJKSA-N 1 1 352.482 3.357 40 0 FGABMO COc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2=O)c1 ZINC000096077351 222013459 /nfs/dbraw/zinc/01/34/59/222013459.db2.gz NJVYCWPAIAEVQG-JOCHJYFZSA-N 1 1 368.452 3.459 40 0 FGABMO COc1cccc(NC(=O)N2CCCn3cnc(C[N@H+](C)C(C)C)c3C2)c1 ZINC000096259260 222102773 /nfs/dbraw/zinc/10/27/73/222102773.db2.gz CPTBUGGHUKUBCD-UHFFFAOYSA-N 1 1 371.485 3.170 40 0 FGABMO COc1cccc(NC(=O)N2CCCn3cnc(C[N@@H+](C)C(C)C)c3C2)c1 ZINC000096259260 222102774 /nfs/dbraw/zinc/10/27/74/222102774.db2.gz CPTBUGGHUKUBCD-UHFFFAOYSA-N 1 1 371.485 3.170 40 0 FGABMO CCCc1ccc(C(=O)N2CCCn3cnc(C[NH+]4CCCC4)c3C2)cc1 ZINC000096259315 222103356 /nfs/dbraw/zinc/10/33/56/222103356.db2.gz QWZFDXRPGXTBLK-UHFFFAOYSA-N 1 1 366.509 3.478 40 0 FGABMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)Nc1cccc(F)c1)CCC2 ZINC000096259254 222103381 /nfs/dbraw/zinc/10/33/81/222103381.db2.gz HDKXDXSPHBTFFJ-UHFFFAOYSA-N 1 1 359.449 3.300 40 0 FGABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)Nc1cccc(F)c1)CCC2 ZINC000096259254 222103384 /nfs/dbraw/zinc/10/33/84/222103384.db2.gz HDKXDXSPHBTFFJ-UHFFFAOYSA-N 1 1 359.449 3.300 40 0 FGABMO Cc1ccccc1C(=O)N1CCC2(CC[C@H](COCC3CC3)[N@@H+]2C)CC1 ZINC000096207817 222078587 /nfs/dbraw/zinc/07/85/87/222078587.db2.gz YLYURPNCUUQQDG-LJQANCHMSA-N 1 1 356.510 3.491 40 0 FGABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096216030 222081234 /nfs/dbraw/zinc/08/12/34/222081234.db2.gz ZKMVOMXXBDSNCY-FQEVSTJZSA-N 1 1 373.522 3.410 40 0 FGABMO O=C(C[C@H]1OC[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21)Nc1cccnc1 ZINC000096218319 222081434 /nfs/dbraw/zinc/08/14/34/222081434.db2.gz WWZQJWYWELXYBO-ZTFGCOKTSA-N 1 1 357.479 3.009 40 0 FGABMO c1ccc(OCC[N@H+]2CCC[C@@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC000096216294 222081632 /nfs/dbraw/zinc/08/16/32/222081632.db2.gz ZPLOXTOUWXKXDZ-JOCHJYFZSA-N 1 1 351.494 3.449 40 0 FGABMO c1ccc(OCCN2CCC[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC000096216294 222081636 /nfs/dbraw/zinc/08/16/36/222081636.db2.gz ZPLOXTOUWXKXDZ-JOCHJYFZSA-N 1 1 351.494 3.449 40 0 FGABMO c1ccc(OCCN2CCC[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC000096216294 222081639 /nfs/dbraw/zinc/08/16/39/222081639.db2.gz ZPLOXTOUWXKXDZ-JOCHJYFZSA-N 1 1 351.494 3.449 40 0 FGABMO Cc1c(NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(=O)n(-c2ccccc2)n1C ZINC000005576240 493936321 /nfs/dbraw/zinc/93/63/21/493936321.db2.gz ZFDYZXJCXKXKIW-PKOBYXMFSA-N 1 1 354.498 3.161 40 0 FGABMO COC(=O)[C@]1(Cc2ccccc2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072341111 494155052 /nfs/dbraw/zinc/15/50/52/494155052.db2.gz LVJACXWVFKPSDY-QTEQDKRBSA-N 1 1 363.457 3.395 40 0 FGABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359614 494157236 /nfs/dbraw/zinc/15/72/36/494157236.db2.gz YPCHDXVIGXZTLV-HNNXBMFYSA-N 1 1 358.873 3.065 40 0 FGABMO Cn1cc(C[N@H+]2CCC[C@H](c3nccnc3-c3ccccc3F)C2)cn1 ZINC000072359053 494157335 /nfs/dbraw/zinc/15/73/35/494157335.db2.gz ZCSYABASUBCBGQ-INIZCTEOSA-N 1 1 351.429 3.396 40 0 FGABMO Cc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000072378526 494160967 /nfs/dbraw/zinc/16/09/67/494160967.db2.gz HQLUHHRNGHFAHS-LJQANCHMSA-N 1 1 361.449 3.267 40 0 FGABMO CC(=O)c1cc(C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)cs1 ZINC000012201789 494214114 /nfs/dbraw/zinc/21/41/14/494214114.db2.gz TYJHJGQVQHUKQF-UHFFFAOYSA-N 1 1 360.454 3.484 40 0 FGABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c(C)c1C ZINC000012221441 494214767 /nfs/dbraw/zinc/21/47/67/494214767.db2.gz DGMUPHRQJMLQTB-QIDMFYOTSA-N 1 1 369.509 3.165 40 0 FGABMO CCn1ccnc1C[N@@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713173 494456332 /nfs/dbraw/zinc/45/63/32/494456332.db2.gz LDAAYWKJLNFSDR-UXHICEINSA-N 1 1 366.509 3.449 40 0 FGABMO CCn1ccnc1C[N@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713173 494456336 /nfs/dbraw/zinc/45/63/36/494456336.db2.gz LDAAYWKJLNFSDR-UXHICEINSA-N 1 1 366.509 3.449 40 0 FGABMO CC(C)NC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241773 494469986 /nfs/dbraw/zinc/46/99/86/494469986.db2.gz VNUISYFNAWPNSV-UHFFFAOYSA-N 1 1 351.494 3.143 40 0 FGABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3F)n[nH]2)cc1OCC ZINC000095534567 494989068 /nfs/dbraw/zinc/98/90/68/494989068.db2.gz LHVJHYMUAHICIY-QGZVFWFLSA-N 1 1 356.401 3.456 40 0 FGABMO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)n1 ZINC000096040233 494998049 /nfs/dbraw/zinc/99/80/49/494998049.db2.gz ZKZGJVYPMLDFPO-PKOBYXMFSA-N 1 1 359.495 3.126 40 0 FGABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)n1 ZINC000096040233 494998051 /nfs/dbraw/zinc/99/80/51/494998051.db2.gz ZKZGJVYPMLDFPO-PKOBYXMFSA-N 1 1 359.495 3.126 40 0 FGABMO O=C(Cc1cccnc1)N1CCC[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096047112 494998453 /nfs/dbraw/zinc/99/84/53/494998453.db2.gz MXZAONUWQZMQPU-FQEVSTJZSA-N 1 1 355.507 3.200 40 0 FGABMO COC[C@@H]1C[N@@H+](Cc2cccnc2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000247828286 496919271 /nfs/dbraw/zinc/91/92/71/496919271.db2.gz GNTRDVKQVAFNEV-QFIPXVFZSA-N 1 1 365.521 3.442 40 0 FGABMO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](OCc1cccc(C)n1)CS2 ZINC000247896701 496925427 /nfs/dbraw/zinc/92/54/27/496925427.db2.gz XMFBGCWJGNTKLJ-MRXNPFEDSA-N 1 1 361.536 3.432 40 0 FGABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc(C)c(OC)cc1C ZINC000224674440 497051797 /nfs/dbraw/zinc/05/17/97/497051797.db2.gz QBUZDDLGRKLBRL-QGZVFWFLSA-N 1 1 368.543 3.245 40 0 FGABMO CCc1ncc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@H]3C2)cn1 ZINC000253606537 497346231 /nfs/dbraw/zinc/34/62/31/497346231.db2.gz RAEYJWJNGGKLRB-LQBOVUBWSA-N 1 1 367.493 3.167 40 0 FGABMO Cc1cc(N2CCO[C@H](c3cccc(Nc4nccs4)n3)C2)nc(C)[nH+]1 ZINC000585262544 507582548 /nfs/dbraw/zinc/58/25/48/507582548.db2.gz QDRHLTOOTUNVRG-HNNXBMFYSA-N 1 1 368.466 3.266 40 0 FGABMO CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020108751 523053277 /nfs/dbraw/zinc/05/32/77/523053277.db2.gz FJXAGZASIKTELL-OAQYLSRUSA-N 1 1 368.477 3.197 40 0 FGABMO COc1ccc(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000020483515 523902989 /nfs/dbraw/zinc/90/29/89/523902989.db2.gz UUQFIMADRWBTQD-UHFFFAOYSA-N 1 1 365.433 3.057 40 0 FGABMO CC(=O)Nc1nc2nc(C3CC[NH+](Cc4cscn4)CC3)ccc2s1 ZINC000257258449 527103128 /nfs/dbraw/zinc/10/31/28/527103128.db2.gz KTXGVOMSQTYUEH-UHFFFAOYSA-N 1 1 373.507 3.486 40 0 FGABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COCc3ccccc3)c2)CC1 ZINC000224356071 570986232 /nfs/dbraw/zinc/98/62/32/570986232.db2.gz QLXJQRIKBFXGSH-UHFFFAOYSA-N 1 1 368.477 3.190 40 0 FGABMO CCc1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)[nH]1 ZINC000257258414 529723556 /nfs/dbraw/zinc/72/35/56/529723556.db2.gz KTTHYLDXIZDKFO-SFHLNBCPSA-N 1 1 366.509 3.117 40 0 FGABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)COc1ccc(F)cc1F)C2 ZINC000257274916 529831939 /nfs/dbraw/zinc/83/19/39/529831939.db2.gz NNEROALTYLZAMQ-DEYWJSPQSA-N 1 1 364.436 3.207 40 0 FGABMO C[N@H+]1CCC[C@@]2(C)[C@@H]1CCCCN2C(=O)c1cccc(-c2cncnc2)n1 ZINC000257250418 530059217 /nfs/dbraw/zinc/05/92/17/530059217.db2.gz JMKXJBZJSISMMD-FPOVZHCZSA-N 1 1 365.481 3.018 40 0 FGABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COCCOC23CC4CC(CC(C4)C2)C3)C1 ZINC000072238834 210065767 /nfs/dbraw/zinc/06/57/67/210065767.db2.gz LDSVOMWXCKXKQC-KKEHIWFPSA-N 1 1 365.558 3.327 40 0 FGABMO Cc1cccc(C[N@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)n1 ZINC000306142537 210058326 /nfs/dbraw/zinc/05/83/26/210058326.db2.gz XCLRMVWHOGURCN-QHCPKHFHSA-N 1 1 371.488 3.344 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2N1Cc1cccnc1 ZINC000306127807 210052228 /nfs/dbraw/zinc/05/22/28/210052228.db2.gz GICBLRYLTASSDI-RBUKOAKNSA-N 1 1 364.474 3.026 40 0 FGABMO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccccn4)C2)OC3)cc1 ZINC000306125271 210050069 /nfs/dbraw/zinc/05/00/69/210050069.db2.gz CLCRNHWTWBDIKB-NRFANRHFSA-N 1 1 364.424 3.259 40 0 FGABMO COCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)[C@H]2Cc1ccccc1 ZINC000257229387 223028785 /nfs/dbraw/zinc/02/87/85/223028785.db2.gz FXXGQLQFIQFWEX-SXFAUFNYSA-N 1 1 356.510 3.108 40 0 FGABMO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3ccnn3C)C2)s1 ZINC000257242579 223034271 /nfs/dbraw/zinc/03/42/71/223034271.db2.gz IDENGWZFBVMIJM-AWEZNQCLSA-N 1 1 369.498 3.098 40 0 FGABMO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3ccnn3C)C2)s1 ZINC000257242579 223034274 /nfs/dbraw/zinc/03/42/74/223034274.db2.gz IDENGWZFBVMIJM-AWEZNQCLSA-N 1 1 369.498 3.098 40 0 FGABMO Cc1c[nH]c(-c2cc([C@H]3CCC[N@@H+](Cc4cncs4)C3)nc(C)n2)n1 ZINC000257250172 223037008 /nfs/dbraw/zinc/03/70/08/223037008.db2.gz JLJHLSDEFKIMTE-AWEZNQCLSA-N 1 1 354.483 3.320 40 0 FGABMO C[NH+](C)Cc1cn(-c2ccccc2C(=O)NCc2cccc(F)c2)cn1 ZINC000257248888 223037841 /nfs/dbraw/zinc/03/78/41/223037841.db2.gz JFRKXFOOFILCIV-UHFFFAOYSA-N 1 1 352.413 3.003 40 0 FGABMO Cc1c[nH]c(-c2cc(C[C@H]3CCC[N@H+](Cc4cscn4)C3)ncn2)n1 ZINC000257267430 223044331 /nfs/dbraw/zinc/04/43/31/223044331.db2.gz MHHCDCIHQOIYSC-CQSZACIVSA-N 1 1 354.483 3.086 40 0 FGABMO Cc1c[nH]c(-c2cc(C[C@H]3CCC[N@@H+](Cc4cscn4)C3)ncn2)n1 ZINC000257267430 223044333 /nfs/dbraw/zinc/04/43/33/223044333.db2.gz MHHCDCIHQOIYSC-CQSZACIVSA-N 1 1 354.483 3.086 40 0 FGABMO CC(C)Oc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000047227620 211847745 /nfs/dbraw/zinc/84/77/45/211847745.db2.gz NIGCKFXZQULOPR-UHFFFAOYSA-N 1 1 368.477 3.236 40 0 FGABMO O=C(Cc1ccc2nc[nH]c2c1)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000019654717 211243789 /nfs/dbraw/zinc/24/37/89/211243789.db2.gz KCCHJJKPJPKPIH-OAQYLSRUSA-N 1 1 362.477 3.449 40 0 FGABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000019575278 211234671 /nfs/dbraw/zinc/23/46/71/211234671.db2.gz OTXJAWDMHUKOCI-QLFBSQMISA-N 1 1 369.490 3.196 40 0 FGABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1OC ZINC000019560763 211232717 /nfs/dbraw/zinc/23/27/17/211232717.db2.gz APTDSUWNOUEOPP-QIDMFYOTSA-N 1 1 368.477 3.219 40 0 FGABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019523630 211228982 /nfs/dbraw/zinc/22/89/82/211228982.db2.gz HPWXXVIUCGCABQ-MRXNPFEDSA-N 1 1 359.445 3.292 40 0 FGABMO CCN1CC[N@@H+](CC2CC2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527394 211229051 /nfs/dbraw/zinc/22/90/51/211229051.db2.gz LJIZRFPIKGGEBR-JOCHJYFZSA-N 1 1 363.505 3.481 40 0 FGABMO COc1c(C)cccc1C[N@H+]1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019235938 211209295 /nfs/dbraw/zinc/20/92/95/211209295.db2.gz LHZBUYCBYWUYNP-QFIPXVFZSA-N 1 1 350.462 3.324 40 0 FGABMO OCC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(OCc2ccccc2)cc1 ZINC000019372709 211219494 /nfs/dbraw/zinc/21/94/94/211219494.db2.gz XHTSIWVHVCYVAA-VXKWHMMOSA-N 1 1 366.505 3.297 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@H](Oc3cccc(OC)c3)CC2)cc1 ZINC000257230032 533570180 /nfs/dbraw/zinc/57/01/80/533570180.db2.gz GAMGVGLEWLARHC-SFTDATJTSA-N 1 1 357.450 3.108 40 0 FGABMO Cc1nc(CN2CC[C@]3(CCCN(c4cccc(C)[nH+]4)C3)C2=O)cs1 ZINC000096224366 132222548 /nfs/dbraw/zinc/22/25/48/132222548.db2.gz GKLBXZBSJBQDHY-IBGZPJMESA-N 1 1 356.495 3.174 40 0 FGABMO FC1(F)CC[N@@H+](CC2CCOCC2)C[C@]12CCN(c1cccnc1)C2 ZINC000096051137 222001332 /nfs/dbraw/zinc/00/13/32/222001332.db2.gz JGAUYPGUJABRDP-SFHVURJKSA-N 1 1 351.441 3.046 40 0 FGABMO CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000096055899 222005243 /nfs/dbraw/zinc/00/52/43/222005243.db2.gz FAAPZIGNTRXMHH-LPHOPBHVSA-N 1 1 350.528 3.234 40 0 FGABMO c1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)cs1 ZINC000096083129 222016886 /nfs/dbraw/zinc/01/68/86/222016886.db2.gz VGATWGKBXVZDDA-GUDVDZBRSA-N 1 1 351.512 3.313 40 0 FGABMO Cc1cc(C)cc(C[N@@H+]2CCc3nc(N4CCCC4)nc(N(C)C)c3C2)c1 ZINC000096253968 222102253 /nfs/dbraw/zinc/10/22/53/222102253.db2.gz KRZUNQZCUCDAGS-UHFFFAOYSA-N 1 1 365.525 3.318 40 0 FGABMO Cc1cc(C)cc(C[N@H+]2CCc3nc(N4CCCC4)nc(N(C)C)c3C2)c1 ZINC000096253968 222102255 /nfs/dbraw/zinc/10/22/55/222102255.db2.gz KRZUNQZCUCDAGS-UHFFFAOYSA-N 1 1 365.525 3.318 40 0 FGABMO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4C)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261477 222104751 /nfs/dbraw/zinc/10/47/51/222104751.db2.gz BQQGTNOQTUCSIP-RZUBCFFCSA-N 1 1 351.494 3.246 40 0 FGABMO CCc1nc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccn23)cs1 ZINC000096154817 222056459 /nfs/dbraw/zinc/05/64/59/222056459.db2.gz TVTCBSULBQFKFB-UHFFFAOYSA-N 1 1 354.479 3.013 40 0 FGABMO CCOC[C@@H]1C[N@H+](Cc2cccc(OC)c2)Cc2cnn(CC3CC3)c21 ZINC000096198411 222072872 /nfs/dbraw/zinc/07/28/72/222072872.db2.gz GITVHWMOWHEYEP-IBGZPJMESA-N 1 1 355.482 3.438 40 0 FGABMO CCOC[C@@H]1C[N@@H+](Cc2cccc(OC)c2)Cc2cnn(CC3CC3)c21 ZINC000096198411 222072876 /nfs/dbraw/zinc/07/28/76/222072876.db2.gz GITVHWMOWHEYEP-IBGZPJMESA-N 1 1 355.482 3.438 40 0 FGABMO CCc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)cc1 ZINC000096217912 222082223 /nfs/dbraw/zinc/08/22/23/222082223.db2.gz HJLQCIFCCHIZKG-IFMALSPDSA-N 1 1 356.510 3.070 40 0 FGABMO Clc1cncc(OC[C@@H]2CO[C@@H]3C[N@@H+](Cc4ccsc4)C[C@H]23)c1 ZINC000096219435 222083357 /nfs/dbraw/zinc/08/33/57/222083357.db2.gz RHDFDRHIKFPGOT-KBRIMQKVSA-N 1 1 350.871 3.322 40 0 FGABMO O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228786 222089457 /nfs/dbraw/zinc/08/94/57/222089457.db2.gz TWUDDKPEHOYNPH-QFIPXVFZSA-N 1 1 367.493 3.133 40 0 FGABMO Cn1cc(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)c2ccccc21 ZINC000077266499 494044927 /nfs/dbraw/zinc/04/49/27/494044927.db2.gz PTGAWAAXQQORJU-LJQANCHMSA-N 1 1 360.461 3.305 40 0 biogenic,in-vitro FGABMO Cn1cc(C[N@H+]2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)c2ccccc21 ZINC000077266499 494044930 /nfs/dbraw/zinc/04/49/30/494044930.db2.gz PTGAWAAXQQORJU-LJQANCHMSA-N 1 1 360.461 3.305 40 0 biogenic,in-vitro FGABMO CCCNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1OC ZINC000035290516 494073806 /nfs/dbraw/zinc/07/38/06/494073806.db2.gz PAXOTYMMLPPXJJ-AYHJJNSGSA-N 1 1 361.555 3.455 40 0 FGABMO COc1ccccc1[C@@]1(O)CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000036741290 494097333 /nfs/dbraw/zinc/09/73/33/494097333.db2.gz HKKVYNZWJTVDEZ-AZUAARDMSA-N 1 1 361.869 3.366 40 0 FGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000038850811 494118839 /nfs/dbraw/zinc/11/88/39/494118839.db2.gz FNIASIMFUAZJSF-UHFFFAOYSA-N 1 1 374.488 3.198 40 0 FGABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Br)cc2)cc1 ZINC000072228070 494145628 /nfs/dbraw/zinc/14/56/28/494145628.db2.gz YQYYBUXLQBGBFO-JKSUJKDBSA-N 1 1 361.239 3.263 40 0 FGABMO COCCOc1cccc(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1 ZINC000072343297 494155196 /nfs/dbraw/zinc/15/51/96/494155196.db2.gz XATJFCRVNCOWKF-RTWAWAEBSA-N 1 1 366.461 3.255 40 0 FGABMO COc1ccc(OC)c(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)c1 ZINC000012119155 494206260 /nfs/dbraw/zinc/20/62/60/494206260.db2.gz IGGYHQGDYBUALN-INIZCTEOSA-N 1 1 368.433 3.449 40 0 FGABMO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]Cc3ccccc3F)cc12 ZINC000012186319 494211535 /nfs/dbraw/zinc/21/15/35/494211535.db2.gz NLDFQIKGJALRHO-UHFFFAOYSA-N 1 1 362.408 3.451 40 0 FGABMO C[C@@H]1CCCC[N@H+]1CCCNCc1cc(-c2ccccc2)cn2nnnc12 ZINC000012224211 494216048 /nfs/dbraw/zinc/21/60/48/494216048.db2.gz QXXHCGQKVVZQAR-QGZVFWFLSA-N 1 1 364.497 3.145 40 0 FGABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1CO ZINC000012293111 494219957 /nfs/dbraw/zinc/21/99/57/494219957.db2.gz BGADEUNHLILKHS-VSOVRNOCSA-N 1 1 371.452 3.341 40 0 FGABMO Fc1cccnc1OC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cccnc1)C2 ZINC000107712758 494589150 /nfs/dbraw/zinc/58/91/50/494589150.db2.gz GNMIMNDKCIYYLN-ICSRJNTNSA-N 1 1 357.429 3.066 40 0 FGABMO Fc1cccnc1OC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccccn1)C2 ZINC000107712736 494589781 /nfs/dbraw/zinc/58/97/81/494589781.db2.gz CEEHZBBGFWBMMO-QUCCMNQESA-N 1 1 357.429 3.066 40 0 FGABMO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCCC(=O)N[C@@H]23)c1 ZINC000095951536 494991442 /nfs/dbraw/zinc/99/14/42/494991442.db2.gz WPDDQIBJIMWRFP-VWPQPMDRSA-N 1 1 350.462 3.332 40 0 FGABMO c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)nc1 ZINC000096040186 494997364 /nfs/dbraw/zinc/99/73/64/494997364.db2.gz SQNPUZHTVDNRGL-NHCUHLMSSA-N 1 1 353.466 3.065 40 0 FGABMO CN(Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096047974 494998301 /nfs/dbraw/zinc/99/83/01/494998301.db2.gz CEIZHMUPPUKTDE-GOSISDBHSA-N 1 1 357.523 3.399 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cc1 ZINC000096048627 495000165 /nfs/dbraw/zinc/00/01/65/495000165.db2.gz ZJARVPJVDZHVNG-JOCHJYFZSA-N 1 1 365.477 3.105 40 0 FGABMO COc1ccc2c(c1)C[N@H+](Cc1ccccc1OC)CC[C@H]1COC(=O)N21 ZINC000225492054 497064555 /nfs/dbraw/zinc/06/45/55/497064555.db2.gz PWFSJXLHCJYMRN-KRWDZBQOSA-N 1 1 368.433 3.435 40 0 biogenic,in-vitro FGABMO O=C1OC[C@@H]2CC[N@@H+](Cc3cccc4c3OCO4)Cc3ccc(F)cc3N12 ZINC000225486766 497064749 /nfs/dbraw/zinc/06/47/49/497064749.db2.gz YVABQWXENLIPPT-INIZCTEOSA-N 1 1 370.380 3.286 40 0 biogenic,in-vitro FGABMO O=C1OC[C@@H]2CC[N@H+](Cc3cccc4c3OCO4)Cc3ccc(F)cc3N12 ZINC000225486766 497064753 /nfs/dbraw/zinc/06/47/53/497064753.db2.gz YVABQWXENLIPPT-INIZCTEOSA-N 1 1 370.380 3.286 40 0 biogenic,in-vitro FGABMO COc1ccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000225735776 497074063 /nfs/dbraw/zinc/07/40/63/497074063.db2.gz JDWZYVCPVXGEIZ-CQSZACIVSA-N 1 1 351.516 3.112 40 0 FGABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000252515100 497309694 /nfs/dbraw/zinc/30/96/94/497309694.db2.gz HAIVUHIJGITGAJ-HBMCJLEFSA-N 1 1 373.518 3.231 40 0 FGABMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000332306817 498643039 /nfs/dbraw/zinc/64/30/39/498643039.db2.gz MEGIXGATGAPICQ-CRAIPNDOSA-N 1 1 362.495 3.262 40 0 FGABMO O=C([C@H]1CCCO1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100416 507567530 /nfs/dbraw/zinc/56/75/30/507567530.db2.gz SGBGKEQYQNGZKA-CTNGQTDRSA-N 1 1 360.473 3.352 40 0 FGABMO Cc1ncc(C[N@H+]2CC[C@@]23CCCN(C(=O)c2csc(C)n2)C3)s1 ZINC000585102260 507567990 /nfs/dbraw/zinc/56/79/90/507567990.db2.gz VSNLFXCLROSLJI-QGZVFWFLSA-N 1 1 362.524 3.097 40 0 FGABMO Cc1ncc(C[N@@H+]2CC[C@@]23CCCN(C(=O)c2csc(C)n2)C3)s1 ZINC000585102260 507567998 /nfs/dbraw/zinc/56/79/98/507567998.db2.gz VSNLFXCLROSLJI-QGZVFWFLSA-N 1 1 362.524 3.097 40 0 FGABMO O=C(c1cnc2ccccn12)N1CC[C@H]2[C@@H](C[N@H+]2CC2CCCCC2)C1 ZINC000585107972 507573727 /nfs/dbraw/zinc/57/37/27/507573727.db2.gz OLDYLVINEUJGNT-MSOLQXFVSA-N 1 1 352.482 3.061 40 0 FGABMO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](C[N@H+]2CC2CCCCC2)C1 ZINC000585107966 507574494 /nfs/dbraw/zinc/57/44/94/507574494.db2.gz NGENNOOBWPBCDV-RTBURBONSA-N 1 1 362.539 3.270 40 0 FGABMO Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000585270306 507582938 /nfs/dbraw/zinc/58/29/38/507582938.db2.gz UHWOKEPCUJRTOM-HXUWFJFHSA-N 1 1 351.450 3.165 40 0 FGABMO C[C@@H]1C[N@@H+](C[C@@H](Cc2ccccc2)C(N)=O)CC[C@]1(C)c1cccc(O)c1 ZINC000390823264 524962402 /nfs/dbraw/zinc/96/24/02/524962402.db2.gz XIXMDCGNWYDFMB-BOCKYXSRSA-N 1 1 366.505 3.336 40 0 FGABMO Cc1nc(-c2nccn2C)cc(C2CC[NH+](Cc3cscn3)CC2)n1 ZINC000257212265 534867681 /nfs/dbraw/zinc/86/76/81/534867681.db2.gz CCOWQEISSYXNMK-UHFFFAOYSA-N 1 1 354.483 3.022 40 0 FGABMO COc1ccc2c3c1O[C@]1(C)[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C)C2 ZINC000253504603 525618653 /nfs/dbraw/zinc/61/86/53/525618653.db2.gz HNGQYCCVBUYBHG-OMYBAHKFSA-N 1 1 367.489 3.326 40 0 biogenic,in-vitro FGABMO CSc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000020049560 526054115 /nfs/dbraw/zinc/05/41/15/526054115.db2.gz JWQFZCCLEGEOQB-UHFFFAOYSA-N 1 1 373.503 3.381 40 0 FGABMO C[C@@]1(O)CC[N@@H+](Cc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289831 560031553 /nfs/dbraw/zinc/03/15/53/560031553.db2.gz ITMUHMWNZHBKBA-QNWVGRARSA-N 1 1 364.489 3.279 40 0 biogenic,in-vitro FGABMO C[N@H+]1CCN(Cc2cncs2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257295233 529775343 /nfs/dbraw/zinc/77/53/43/529775343.db2.gz QXNLXUXMTVMUDB-MRXNPFEDSA-N 1 1 352.507 3.298 40 0 FGABMO CN1CC[N@H+](Cc2cncs2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257295233 529775344 /nfs/dbraw/zinc/77/53/44/529775344.db2.gz QXNLXUXMTVMUDB-MRXNPFEDSA-N 1 1 352.507 3.298 40 0 FGABMO CN1CC[N@@H+](Cc2cncs2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257295233 529775346 /nfs/dbraw/zinc/77/53/46/529775346.db2.gz QXNLXUXMTVMUDB-MRXNPFEDSA-N 1 1 352.507 3.298 40 0 FGABMO COc1ccc(C)cc1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000014001517 210180805 /nfs/dbraw/zinc/18/08/05/210180805.db2.gz YXJNKCOOOKHNIR-JOCHJYFZSA-N 1 1 350.462 3.324 40 0 FGABMO COc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccoc4)C2)OC3)c1 ZINC000306143571 210057708 /nfs/dbraw/zinc/05/77/08/210057708.db2.gz YFQKQJJPSGRRIC-OAQYLSRUSA-N 1 1 365.433 3.327 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1Cc1cccs1 ZINC000306140235 210056468 /nfs/dbraw/zinc/05/64/68/210056468.db2.gz UNPOSGJUYSMAAO-ZWKOTPCHSA-N 1 1 353.447 3.224 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccco3)C[C@H]2N1Cc1cccs1 ZINC000306140235 210056470 /nfs/dbraw/zinc/05/64/70/210056470.db2.gz UNPOSGJUYSMAAO-ZWKOTPCHSA-N 1 1 353.447 3.224 40 0 FGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306123518 210049364 /nfs/dbraw/zinc/04/93/64/210049364.db2.gz APEIVMPYLXYQIH-UXHICEINSA-N 1 1 365.408 3.302 40 0 FGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306123518 210049367 /nfs/dbraw/zinc/04/93/67/210049367.db2.gz APEIVMPYLXYQIH-UXHICEINSA-N 1 1 365.408 3.302 40 0 FGABMO C[NH+](C)Cc1cncc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)n1 ZINC000257209215 223019653 /nfs/dbraw/zinc/01/96/53/223019653.db2.gz BPLCYLMOTJNCGR-HXUWFJFHSA-N 1 1 350.466 3.004 40 0 FGABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257243354 223034239 /nfs/dbraw/zinc/03/42/39/223034239.db2.gz IGOVFQHSOKJXRL-GOSISDBHSA-N 1 1 363.469 3.303 40 0 FGABMO Clc1ccc(C[N@@H+]2CCOC[C@H](Cc3nccn4cccc34)C2)nc1 ZINC000257242038 223034873 /nfs/dbraw/zinc/03/48/73/223034873.db2.gz IATVHSHRSXXFJC-OAHLLOKOSA-N 1 1 356.857 3.074 40 0 FGABMO Clc1ccc(C[N@H+]2CCOC[C@H](Cc3nccn4cccc34)C2)nc1 ZINC000257242038 223034875 /nfs/dbraw/zinc/03/48/75/223034875.db2.gz IATVHSHRSXXFJC-OAHLLOKOSA-N 1 1 356.857 3.074 40 0 FGABMO CCn1cc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@H+]4C)on2)cn1 ZINC000257265352 223042656 /nfs/dbraw/zinc/04/26/56/223042656.db2.gz LYHYBWVNOZREBR-ICSRJNTNSA-N 1 1 371.485 3.037 40 0 FGABMO Cc1cccc(Nc2cnc([C@H]3CCC[N@H+](Cc4cncn4C)C3)cn2)n1 ZINC000257299944 223057031 /nfs/dbraw/zinc/05/70/31/223057031.db2.gz RSGWZDGKYMITGX-INIZCTEOSA-N 1 1 363.469 3.037 40 0 FGABMO C[C@H]1C[C@@H](OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000022588958 211357024 /nfs/dbraw/zinc/35/70/24/211357024.db2.gz SFIMEMADLNGLGG-KSEOMHKRSA-N 1 1 374.569 3.397 40 0 FGABMO C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)[C@H]1CCCO1 ZINC000019590805 211239911 /nfs/dbraw/zinc/23/99/11/211239911.db2.gz LPRJCNMKLKCLMF-NMLBUPMWSA-N 1 1 360.473 3.174 40 0 FGABMO O=C([C@@H](c1ccccc1)N1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000019659668 211243346 /nfs/dbraw/zinc/24/33/46/211243346.db2.gz YDLSLTVBMWCJDC-OAQYLSRUSA-N 1 1 355.526 3.300 40 0 FGABMO CCc1ncc(C[N@@H+]2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)cn1 ZINC000019523384 211228673 /nfs/dbraw/zinc/22/86/73/211228673.db2.gz SQEYECNHKIUXNO-AWEZNQCLSA-N 1 1 370.482 3.234 40 0 FGABMO CCc1ncc(C[N@H+]2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)cn1 ZINC000019523384 211228677 /nfs/dbraw/zinc/22/86/77/211228677.db2.gz SQEYECNHKIUXNO-AWEZNQCLSA-N 1 1 370.482 3.234 40 0 FGABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccccc3OC)C2)no1 ZINC000019503716 211226379 /nfs/dbraw/zinc/22/63/79/211226379.db2.gz RPLXQIVLTUTOSB-HNNXBMFYSA-N 1 1 357.454 3.203 40 0 FGABMO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)n1 ZINC000019236247 211210093 /nfs/dbraw/zinc/21/00/93/211210093.db2.gz NZFSLUVMBZGPNK-IBGZPJMESA-N 1 1 361.449 3.263 40 0 FGABMO Cc1cccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)n1 ZINC000019236247 211210096 /nfs/dbraw/zinc/21/00/96/211210096.db2.gz NZFSLUVMBZGPNK-IBGZPJMESA-N 1 1 361.449 3.263 40 0 FGABMO Cc1cnc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4Cl)C3)o2)cn1 ZINC000019239190 211208546 /nfs/dbraw/zinc/20/85/46/211208546.db2.gz PVPICOALNLXFHR-AWEZNQCLSA-N 1 1 355.829 3.478 40 0 FGABMO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)[nH]1 ZINC000019334054 211215544 /nfs/dbraw/zinc/21/55/44/211215544.db2.gz UTZQJQHDFKYZDK-QGZVFWFLSA-N 1 1 364.424 3.351 40 0 FGABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1F ZINC000019292927 211214599 /nfs/dbraw/zinc/21/45/99/211214599.db2.gz ICNRSURGFCJITQ-CYBMUJFWSA-N 1 1 357.364 3.184 40 0 FGABMO O=c1cc(-c2ccncc2)nc([C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)[nH]1 ZINC000019292697 211213817 /nfs/dbraw/zinc/21/38/17/211213817.db2.gz MAAKOQBHIIEENQ-OAHLLOKOSA-N 1 1 368.387 3.100 40 0 FGABMO O=c1cc(-c2ccncc2)nc([C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)[nH]1 ZINC000019292697 211213821 /nfs/dbraw/zinc/21/38/21/211213821.db2.gz MAAKOQBHIIEENQ-OAHLLOKOSA-N 1 1 368.387 3.100 40 0 FGABMO Cc1ccc(-c2nnc(C3CC[NH+](CC(=O)N4CCCCC4)CC3)o2)s1 ZINC000019217813 211207641 /nfs/dbraw/zinc/20/76/41/211207641.db2.gz OYXHFIHEBHCZCD-UHFFFAOYSA-N 1 1 374.510 3.298 40 0 FGABMO CC[C@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019500601 220264180 /nfs/dbraw/zinc/26/41/80/220264180.db2.gz WLGOHIULZPTVTC-LJQANCHMSA-N 1 1 354.502 3.057 40 0 FGABMO C[C@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)C[C@H](C)O1 ZINC000058161907 221100603 /nfs/dbraw/zinc/10/06/03/221100603.db2.gz UIHBASUZNHPMRG-YDHLFZDLSA-N 1 1 353.413 3.070 40 0 FGABMO Cc1nc(COC[C@@H]2C[C@H]3OCCN(c4cccc(C)[nH+]4)[C@H]3C2)cs1 ZINC000096250663 132224267 /nfs/dbraw/zinc/22/42/67/132224267.db2.gz RKMNATBJKCRMJE-RYQLBKOJSA-N 1 1 359.495 3.356 40 0 FGABMO Fc1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(COCc3cccnc3)C2)cc1 ZINC000096110396 222027540 /nfs/dbraw/zinc/02/75/40/222027540.db2.gz XJGLVHHNNNNVDM-RTWAWAEBSA-N 1 1 356.441 3.419 40 0 FGABMO Cc1ccsc1C[N@H+]1CC[C@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC000096110871 222029387 /nfs/dbraw/zinc/02/93/87/222029387.db2.gz LCGCHFZWZDFMFU-HKUYNNGSSA-N 1 1 351.512 3.233 40 0 FGABMO Cc1ccc(C[N@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)s1 ZINC000096059168 222007713 /nfs/dbraw/zinc/00/77/13/222007713.db2.gz GFRKQJDVFKYYIY-KRWDZBQOSA-N 1 1 368.506 3.497 40 0 FGABMO Cc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)s1 ZINC000096059168 222007718 /nfs/dbraw/zinc/00/77/18/222007718.db2.gz GFRKQJDVFKYYIY-KRWDZBQOSA-N 1 1 368.506 3.497 40 0 FGABMO Fc1cccnc1N1CC[C@]2(C1)C[N@@H+](Cc1ccccn1)CCC2(F)F ZINC000096239640 222096008 /nfs/dbraw/zinc/09/60/08/222096008.db2.gz QVFVCMWUJIGJJJ-GOSISDBHSA-N 1 1 362.399 3.353 40 0 FGABMO Cc1ccc(NC(=O)N2Cc3c(C[NH+]4CCCCC4)nn(C)c3C2)cc1 ZINC000096259136 222102709 /nfs/dbraw/zinc/10/27/09/222102709.db2.gz FDZBBLOLMMHPEY-UHFFFAOYSA-N 1 1 353.470 3.262 40 0 FGABMO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261463 222104482 /nfs/dbraw/zinc/10/44/82/222104482.db2.gz PVMIPDWCRPAQSZ-RZUBCFFCSA-N 1 1 351.494 3.246 40 0 FGABMO Cc1ccc(C[N@@H+]2CCOC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)o1 ZINC000096296472 222112217 /nfs/dbraw/zinc/11/22/17/222112217.db2.gz DXXAHADOERPPCN-OAHLLOKOSA-N 1 1 356.344 3.282 40 0 biogenic,in-vitro FGABMO Cc1ccc(C[N@H+]2CCOC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)o1 ZINC000096296472 222112220 /nfs/dbraw/zinc/11/22/20/222112220.db2.gz DXXAHADOERPPCN-OAHLLOKOSA-N 1 1 356.344 3.282 40 0 biogenic,in-vitro FGABMO Cc1occc1C(=O)N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC000096159277 222057943 /nfs/dbraw/zinc/05/79/43/222057943.db2.gz XXEKQCDCHPXYCI-UHFFFAOYSA-N 1 1 353.466 3.500 40 0 FGABMO COc1ccc(CN(CC(=O)N2CCCCC2)c2cc(C)[nH+]c(C)n2)cc1 ZINC000006425468 493963035 /nfs/dbraw/zinc/96/30/35/493963035.db2.gz LBZYKLZTVSBGIA-UHFFFAOYSA-N 1 1 368.481 3.121 40 0 FGABMO CC[C@H](Oc1ccccc1F)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000008041174 494062482 /nfs/dbraw/zinc/06/24/82/494062482.db2.gz LMZHLUYUCJLHQP-IBGZPJMESA-N 1 1 356.441 3.328 40 0 FGABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3CC(C)(C)C)n2)cn1 ZINC000035425202 494076448 /nfs/dbraw/zinc/07/64/48/494076448.db2.gz RYFYKOSJOCDHKW-HNNXBMFYSA-N 1 1 359.474 3.373 40 0 biogenic,in-vitro FGABMO COC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038834535 494119100 /nfs/dbraw/zinc/11/91/00/494119100.db2.gz PESXULKPAHJOOP-MRXNPFEDSA-N 1 1 370.424 3.463 40 0 FGABMO Cc1cc(C)n2nc(C3=CC[N@@H+](C[C@H](O)c4ccccc4F)CC3)cc2n1 ZINC000072342775 494154998 /nfs/dbraw/zinc/15/49/98/494154998.db2.gz XZALQBPNWLOUOC-FQEVSTJZSA-N 1 1 366.440 3.308 40 0 FGABMO Cc1nccn1-c1cncc([C@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000072355573 494157430 /nfs/dbraw/zinc/15/74/30/494157430.db2.gz MHFXLIFLZKZMBS-SFHVURJKSA-N 1 1 363.465 3.229 40 0 FGABMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)C1 ZINC000012087798 494202480 /nfs/dbraw/zinc/20/24/80/494202480.db2.gz 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CCc1ncc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccc(OC)cc2)cn1 ZINC000012361664 494226700 /nfs/dbraw/zinc/22/67/00/494226700.db2.gz PMBUUPNTWARAON-QIDMFYOTSA-N 1 1 367.493 3.167 40 0 FGABMO COc1ccc(C[N@H+]2CCc3nc4ccsc4c(=O)n3CC2)c(C)c1C ZINC000012734553 494252145 /nfs/dbraw/zinc/25/21/45/494252145.db2.gz HGJSZWPCGANOFH-UHFFFAOYSA-N 1 1 369.490 3.142 40 0 FGABMO COc1ccc(C[N@@H+]2CCc3nc4ccsc4c(=O)n3CC2)c(C)c1C ZINC000012734553 494252149 /nfs/dbraw/zinc/25/21/49/494252149.db2.gz HGJSZWPCGANOFH-UHFFFAOYSA-N 1 1 369.490 3.142 40 0 FGABMO CCOc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000044880400 494385616 /nfs/dbraw/zinc/38/56/16/494385616.db2.gz DTZHIFPYKYBNSF-UHFFFAOYSA-N 1 1 371.462 3.058 40 0 FGABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)ccc1O ZINC000019550042 494448479 /nfs/dbraw/zinc/44/84/79/494448479.db2.gz VIWZXVCCPCEWEL-RRMPHLOHSA-N 1 1 357.425 3.270 40 0 FGABMO Clc1ccccc1C[N@H+]1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 ZINC000108536071 494731445 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CCCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000018217410 211194945 /nfs/dbraw/zinc/19/49/45/211194945.db2.gz RLZCDAAEAJOMSU-UHFFFAOYSA-N 1 1 368.477 3.238 40 0 FGABMO Cc1ccc(CN(CCC[NH+]2CCOCC2)Cc2nc3ccccc3[nH]2)o1 ZINC000019216422 211207529 /nfs/dbraw/zinc/20/75/29/211207529.db2.gz SXCAFTIAEAHIES-UHFFFAOYSA-N 1 1 368.481 3.189 40 0 FGABMO Cc1ccc(C[N@H+]2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)cc1C ZINC000013227151 211028922 /nfs/dbraw/zinc/02/89/22/211028922.db2.gz ADTCGNFXGDIOKM-IBGZPJMESA-N 1 1 362.481 3.264 40 0 FGABMO C[C@@H](C[N@H+]1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1)c1ccccc1 ZINC000072335634 136144552 /nfs/dbraw/zinc/14/45/52/136144552.db2.gz CTWLBDKYSILCDR-KRWDZBQOSA-N 1 1 366.509 3.168 40 0 FGABMO Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2-c2ccc(C)s2)on1 ZINC000072337387 136144598 /nfs/dbraw/zinc/14/45/98/136144598.db2.gz JHJPHBCEYZUOOV-UHFFFAOYSA-N 1 1 355.467 3.229 40 0 FGABMO Cc1csc(C[NH+]2CCC3(C[C@H](OCc4ccncc4)CO3)CC2)n1 ZINC000096106852 222026045 /nfs/dbraw/zinc/02/60/45/222026045.db2.gz DMXOGCRJUHYHBS-KRWDZBQOSA-N 1 1 359.495 3.187 40 0 FGABMO COc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3F)nc2c1 ZINC000096112261 222029795 /nfs/dbraw/zinc/02/97/95/222029795.db2.gz CEDXGUYZQGRIQG-APWZRJJASA-N 1 1 355.413 3.311 40 0 biogenic,in-vitro FGABMO COc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3F)nc2c1 ZINC000096112261 222029796 /nfs/dbraw/zinc/02/97/96/222029796.db2.gz CEDXGUYZQGRIQG-APWZRJJASA-N 1 1 355.413 3.311 40 0 biogenic,in-vitro FGABMO COc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4csc(C)n4)C3)C2=O)c1 ZINC000096050661 222000830 /nfs/dbraw/zinc/00/08/30/222000830.db2.gz GIWWFECBERPMBU-FQEVSTJZSA-N 1 1 371.506 3.085 40 0 FGABMO Fc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)cc1 ZINC000096059249 222006779 /nfs/dbraw/zinc/00/67/79/222006779.db2.gz NJXSFNXQRGXNBL-SFHVURJKSA-N 1 1 366.440 3.266 40 0 FGABMO Fc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)cc1 ZINC000096059249 222006783 /nfs/dbraw/zinc/00/67/83/222006783.db2.gz NJXSFNXQRGXNBL-SFHVURJKSA-N 1 1 366.440 3.266 40 0 FGABMO Fc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)cc1 ZINC000096061688 222009282 /nfs/dbraw/zinc/00/92/82/222009282.db2.gz PQUVZUVKJBEURS-YADHBBJMSA-N 1 1 354.469 3.344 40 0 FGABMO FC1(F)CC[N@@H+](Cc2cccs2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096239716 222095659 /nfs/dbraw/zinc/09/56/59/222095659.db2.gz YZVHGELZTMMANG-MRXNPFEDSA-N 1 1 350.438 3.276 40 0 FGABMO Fc1cccnc1N1CC[C@]2(C1)C[N@@H+](Cc1cccnc1)CCC2(F)F ZINC000096239646 222095719 /nfs/dbraw/zinc/09/57/19/222095719.db2.gz VWYIPAJKEOTHIG-GOSISDBHSA-N 1 1 362.399 3.353 40 0 FGABMO Cc1nc(CN2CCO[C@H]3C[N@@H+](Cc4cc(C)cc(C)c4)C[C@H]32)cs1 ZINC000096248768 222100081 /nfs/dbraw/zinc/10/00/81/222100081.db2.gz AKUHNAMDWNIVEE-UXHICEINSA-N 1 1 357.523 3.154 40 0 FGABMO Cc1ccc(C(=O)N2Cc3c(C[NH+]4CCCCC4)nn(C)c3C2)cc1F ZINC000096259133 222103452 /nfs/dbraw/zinc/10/34/52/222103452.db2.gz IMPPOXATQBHXEP-UHFFFAOYSA-N 1 1 356.445 3.010 40 0 FGABMO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261534 222104508 /nfs/dbraw/zinc/10/45/08/222104508.db2.gz DQZARUSHUNIJRR-SLYNCCJLSA-N 1 1 357.473 3.323 40 0 FGABMO Cc1noc(C)c1C[N@@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC000096160116 222060181 /nfs/dbraw/zinc/06/01/81/222060181.db2.gz QAMPTPKOKAUIFH-FXAWDEMLSA-N 1 1 357.454 3.137 40 0 FGABMO Cc1noc(C)c1C[N@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC000096160116 222060184 /nfs/dbraw/zinc/06/01/84/222060184.db2.gz QAMPTPKOKAUIFH-FXAWDEMLSA-N 1 1 357.454 3.137 40 0 FGABMO c1ccc(CC[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)cc1 ZINC000096208197 222078845 /nfs/dbraw/zinc/07/88/45/222078845.db2.gz YHJCUXLEXKAOHX-CTNGQTDRSA-N 1 1 352.482 3.002 40 0 FGABMO Cc1cnc(N[C@@H]2CCO[C@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2)nc1 ZINC000096209364 222079542 /nfs/dbraw/zinc/07/95/42/222079542.db2.gz RZSBPWUOOOHLAW-UYAOXDASSA-N 1 1 356.445 3.160 40 0 FGABMO O=C(Cc1cccs1)N1CC[C@]2(C1)CCC[N@@H+](CC1CCOCC1)C2 ZINC000096215437 222079960 /nfs/dbraw/zinc/07/99/60/222079960.db2.gz XNLPADIMVDBNEJ-HXUWFJFHSA-N 1 1 362.539 3.032 40 0 FGABMO COc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)c1 ZINC000096215445 222080164 /nfs/dbraw/zinc/08/01/64/222080164.db2.gz BVVBCEPJWIJCKD-JOCHJYFZSA-N 1 1 372.509 3.050 40 0 FGABMO O=C(c1cscn1)N1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216314 222081135 /nfs/dbraw/zinc/08/11/35/222081135.db2.gz CDPOYEQXXBJFPT-HXUWFJFHSA-N 1 1 371.506 3.150 40 0 FGABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(C(=O)Nc4cccnc4C)=NO3)C2)s1 ZINC000096226112 222088592 /nfs/dbraw/zinc/08/85/92/222088592.db2.gz GQSATYKJMWYLGA-IBGZPJMESA-N 1 1 370.478 3.119 40 0 FGABMO CC(C)CNC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241779 263379239 /nfs/dbraw/zinc/37/92/39/263379239.db2.gz JZBZKJGCSOVHDH-UHFFFAOYSA-N 1 1 365.521 3.390 40 0 FGABMO Cc1ccc2c(c1)nnn2C1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000004895398 493900098 /nfs/dbraw/zinc/90/00/98/493900098.db2.gz OHSCOJHYCSCIKA-UHFFFAOYSA-N 1 1 367.428 3.154 40 0 FGABMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2OC(=O)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000035565143 494079498 /nfs/dbraw/zinc/07/94/98/494079498.db2.gz ROZOEEGFKDFEFP-CQRAWDCMSA-N 1 1 357.494 3.338 40 0 FGABMO CC[N@H+]1CC[C@H](CCc2ccc(NC(=O)[C@@H]3CC(=O)N(C)C3)cc2)[C@H](C)C1 ZINC000036734976 494097486 /nfs/dbraw/zinc/09/74/86/494097486.db2.gz CXLXDKSFGIPBPR-NZSAHSFTSA-N 1 1 371.525 3.014 40 0 FGABMO COc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038848831 494118880 /nfs/dbraw/zinc/11/88/80/494118880.db2.gz IOPQCAYVCUPLIS-GOSISDBHSA-N 1 1 356.441 3.363 40 0 FGABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4ccc(F)c(F)c4)C3)cc(N)n2n1 ZINC000072339783 494153516 /nfs/dbraw/zinc/15/35/16/494153516.db2.gz CGANWPPWLRNVSL-AWEZNQCLSA-N 1 1 357.408 3.278 40 0 FGABMO COc1cccc(C[N@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)c1OC ZINC000072343256 494155240 /nfs/dbraw/zinc/15/52/40/494155240.db2.gz FISKFECQXYAMAV-PKOBYXMFSA-N 1 1 352.434 3.247 40 0 FGABMO COc1cccc(C[N@@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)c1OC ZINC000072343256 494155245 /nfs/dbraw/zinc/15/52/45/494155245.db2.gz FISKFECQXYAMAV-PKOBYXMFSA-N 1 1 352.434 3.247 40 0 FGABMO Cc1cccnc1Nc1nccc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072378015 494160792 /nfs/dbraw/zinc/16/07/92/494160792.db2.gz KXONFXABXDVIHM-KRWDZBQOSA-N 1 1 363.469 3.037 40 0 FGABMO O=c1cc([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)nc(-c2cccnc2)[nH]1 ZINC000072393049 494163067 /nfs/dbraw/zinc/16/30/67/494163067.db2.gz QLDHLSZCGKGHSP-QGZVFWFLSA-N 1 1 364.424 3.351 40 0 FGABMO CN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@@H+](Cc3ccccc3Cl)C[C@@H]12 ZINC000072395797 494163916 /nfs/dbraw/zinc/16/39/16/494163916.db2.gz PXYHYSBXDPCVQW-NQIIRXRSSA-N 1 1 368.864 3.499 40 0 FGABMO CN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@H+](Cc3ccccc3Cl)C[C@@H]12 ZINC000072395797 494163921 /nfs/dbraw/zinc/16/39/21/494163921.db2.gz PXYHYSBXDPCVQW-NQIIRXRSSA-N 1 1 368.864 3.499 40 0 FGABMO COc1c(C)cnc(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)c1C ZINC000012087600 494202772 /nfs/dbraw/zinc/20/27/72/494202772.db2.gz LHRAXZZNRASDDF-INIZCTEOSA-N 1 1 367.449 3.452 40 0 FGABMO COc1c(C)c[nH+]c(CN2CCC[C@H](n3c4ccccc4oc3=O)C2)c1C ZINC000012087600 494202779 /nfs/dbraw/zinc/20/27/79/494202779.db2.gz LHRAXZZNRASDDF-INIZCTEOSA-N 1 1 367.449 3.452 40 0 FGABMO CCC[N@H+]1C[C@H](NC(=O)c2ccccc2F)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364761 494226488 /nfs/dbraw/zinc/22/64/88/494226488.db2.gz YEYKTJWRJKLYJR-QUCCMNQESA-N 1 1 356.441 3.442 40 0 FGABMO OC[C@@H]1CCC[N@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 ZINC000012365431 494227891 /nfs/dbraw/zinc/22/78/91/494227891.db2.gz AVINJSKQOXEQHD-OAHLLOKOSA-N 1 1 372.469 3.047 40 0 FGABMO OC[C@@H]1CCC[N@@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 ZINC000012365431 494227896 /nfs/dbraw/zinc/22/78/96/494227896.db2.gz AVINJSKQOXEQHD-OAHLLOKOSA-N 1 1 372.469 3.047 40 0 FGABMO Cc1cccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)n1 ZINC000247859706 496922530 /nfs/dbraw/zinc/92/25/30/496922530.db2.gz FHIQVXLXVBPPRB-RTWAWAEBSA-N 1 1 353.466 3.235 40 0 FGABMO Cc1cc(C)c(C)c(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000218965092 497006169 /nfs/dbraw/zinc/00/61/69/497006169.db2.gz PMFXCDFWJWEDII-UHFFFAOYSA-N 1 1 352.478 3.335 40 0 FGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000225298665 497059660 /nfs/dbraw/zinc/05/96/60/497059660.db2.gz DUXAINXNKOVOES-UHFFFAOYSA-N 1 1 362.433 3.194 40 0 FGABMO O=C(NCc1cccnc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225577578 497066967 /nfs/dbraw/zinc/06/69/67/497066967.db2.gz IICVAWHKKXEZCA-UHFFFAOYSA-N 1 1 361.848 3.403 40 0 FGABMO C[C@H]1c2nc(CC(=O)NCCc3cccs3)cn2CC[N@@H+]1C1CCCC1 ZINC000253590948 497343711 /nfs/dbraw/zinc/34/37/11/497343711.db2.gz HVLQZZZBTRCREO-HNNXBMFYSA-N 1 1 372.538 3.165 40 0 FGABMO C[C@H]1c2nc(CC(=O)NCCc3cccs3)cn2CC[N@H+]1C1CCCC1 ZINC000253590948 497343717 /nfs/dbraw/zinc/34/37/17/497343717.db2.gz HVLQZZZBTRCREO-HNNXBMFYSA-N 1 1 372.538 3.165 40 0 FGABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]12CCCN(C(=O)CCc1ccccc1)C2 ZINC000585101967 507568683 /nfs/dbraw/zinc/56/86/83/507568683.db2.gz NOWZACFTHCERFP-JOCHJYFZSA-N 1 1 367.493 3.491 40 0 FGABMO Cc1noc(C)c1C[N@H+]1CC[C@@]12CCCN(C(=O)CCc1ccccc1)C2 ZINC000585101967 507568689 /nfs/dbraw/zinc/56/86/89/507568689.db2.gz NOWZACFTHCERFP-JOCHJYFZSA-N 1 1 367.493 3.491 40 0 FGABMO FC(F)(F)c1nc(-c2cncc([C@H]3CCC[N@@H+](CC4CC4)C3)n2)no1 ZINC000585290692 507586745 /nfs/dbraw/zinc/58/67/45/507586745.db2.gz TYEVMGAMGPZOHU-NSHDSACASA-N 1 1 353.348 3.135 40 0 FGABMO c1cc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccccn4)C2)OC3)cs1 ZINC000306137388 534464205 /nfs/dbraw/zinc/46/42/05/534464205.db2.gz QVCKFRSDXLSZQR-IBGZPJMESA-N 1 1 352.463 3.182 40 0 FGABMO O=C(Nc1nccs1)c1cccc([C@H]2CCC[N@H+]2CC2CCOCC2)n1 ZINC000257224073 534476570 /nfs/dbraw/zinc/47/65/70/534476570.db2.gz FAFBHTKRGLDNCG-QGZVFWFLSA-N 1 1 372.494 3.354 40 0 FGABMO Cc1cccc(C(=O)N2CC[N@H+](C)C[C@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257249853 534594420 /nfs/dbraw/zinc/59/44/20/534594420.db2.gz JJZYCXADESXXDG-IBGZPJMESA-N 1 1 374.488 3.185 40 0 FGABMO CC(=O)Nc1nc(C)c(-c2cnc(C[C@@H]3CC[N@H+](C(C)C)C3)cn2)s1 ZINC000257320525 527100755 /nfs/dbraw/zinc/10/07/55/527100755.db2.gz VXEYWNBWESFIQI-AWEZNQCLSA-N 1 1 359.499 3.140 40 0 FGABMO CN1CC[N@H+](Cc2ccco2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306139516 529774710 /nfs/dbraw/zinc/77/47/10/529774710.db2.gz SZFSUXZENYWXII-NRFANRHFSA-N 1 1 373.460 3.478 40 0 FGABMO CN1CC[N@@H+](Cc2ccco2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306139516 529774712 /nfs/dbraw/zinc/77/47/12/529774712.db2.gz SZFSUXZENYWXII-NRFANRHFSA-N 1 1 373.460 3.478 40 0 FGABMO CNC(=O)c1sc2nccnc2c1[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000257213357 529954620 /nfs/dbraw/zinc/95/46/20/529954620.db2.gz CHFAJTYSQBCXJQ-ZDUSSCGKSA-N 1 1 370.453 3.180 40 0 FGABMO Cc1noc(C)c1-c1cc(C[C@@H]2CCC[N@H+](Cc3ncc[nH]3)CC2)ncn1 ZINC000257206857 223018264 /nfs/dbraw/zinc/01/82/64/223018264.db2.gz BFEKNFLWJWOFMB-MRXNPFEDSA-N 1 1 366.469 3.316 40 0 FGABMO Cc1noc(C)c1-c1cc(C[C@@H]2CCC[N@@H+](Cc3ncc[nH]3)CC2)ncn1 ZINC000257206857 223018265 /nfs/dbraw/zinc/01/82/65/223018265.db2.gz BFEKNFLWJWOFMB-MRXNPFEDSA-N 1 1 366.469 3.316 40 0 FGABMO Cc1c[nH]c(-c2cncc(C[C@H]3CCC[N@H+](Cc4cscn4)C3)n2)n1 ZINC000257223967 223026512 /nfs/dbraw/zinc/02/65/12/223026512.db2.gz DZSCPIRVPSQSAM-CQSZACIVSA-N 1 1 354.483 3.086 40 0 FGABMO Cc1c[nH]c(-c2cncc(C[C@H]3CCC[N@@H+](Cc4cscn4)C3)n2)n1 ZINC000257223967 223026513 /nfs/dbraw/zinc/02/65/13/223026513.db2.gz DZSCPIRVPSQSAM-CQSZACIVSA-N 1 1 354.483 3.086 40 0 FGABMO Cc1cc(-c2nccn2C)nc([C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257304085 223058230 /nfs/dbraw/zinc/05/82/30/223058230.db2.gz SJZOQXAHCALXJX-CQSZACIVSA-N 1 1 354.483 3.022 40 0 FGABMO Cc1cc(-c2nccn2C)nc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257304085 223058232 /nfs/dbraw/zinc/05/82/32/223058232.db2.gz SJZOQXAHCALXJX-CQSZACIVSA-N 1 1 354.483 3.022 40 0 FGABMO COCC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@H+]2C ZINC000257332532 223069064 /nfs/dbraw/zinc/06/90/64/223069064.db2.gz XXRXYFQTJGVQCB-QWPXSNKBSA-N 1 1 356.510 3.108 40 0 FGABMO c1coc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306128898 223108710 /nfs/dbraw/zinc/10/87/10/223108710.db2.gz HNWSOQOBUNAJEE-INIZCTEOSA-N 1 1 351.454 3.302 40 0 FGABMO c1ccc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 ZINC000306133189 223109822 /nfs/dbraw/zinc/10/98/22/223109822.db2.gz MEPIFNKOSHINJH-GOSISDBHSA-N 1 1 356.433 3.176 40 0 FGABMO Cc1c(-c2ccccn2)c(C(=O)NCC2CC2)c2n1CC[N@@H+](CC1CC1)C2 ZINC000306137737 223110959 /nfs/dbraw/zinc/11/09/59/223110959.db2.gz REOWURAKGUUZNJ-UHFFFAOYSA-N 1 1 364.493 3.224 40 0 FGABMO Cc1c(-c2ccccn2)c(C(=O)NCC2CC2)c2n1CC[N@H+](CC1CC1)C2 ZINC000306137737 223110961 /nfs/dbraw/zinc/11/09/61/223110961.db2.gz REOWURAKGUUZNJ-UHFFFAOYSA-N 1 1 364.493 3.224 40 0 FGABMO Cc1ccc(C(=O)NCC[NH+]2CCC(O)(c3ccc(C)cc3)CC2)s1 ZINC000012326463 219983108 /nfs/dbraw/zinc/98/31/08/219983108.db2.gz ADWWANGPTBHQHU-UHFFFAOYSA-N 1 1 358.507 3.078 40 0 FGABMO CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCC[N@@H+](Cc3ccccn3)C2)C1 ZINC000019019668 220233462 /nfs/dbraw/zinc/23/34/62/220233462.db2.gz DAYGVGPYVOLATK-AVRDEDQJSA-N 1 1 365.477 3.103 40 0 FGABMO Cc1ccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019209768 220238641 /nfs/dbraw/zinc/23/86/41/220238641.db2.gz LOAVMWWRQVILCB-FQEVSTJZSA-N 1 1 364.493 3.069 40 0 FGABMO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)o1 ZINC000019216546 220241883 /nfs/dbraw/zinc/24/18/83/220241883.db2.gz IFCMGXMOBGQBHP-HTZLVSCSSA-N 1 1 351.450 3.496 40 0 FGABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000019290160 220245792 /nfs/dbraw/zinc/24/57/92/220245792.db2.gz KINPUSIBTDTGEC-KRWDZBQOSA-N 1 1 366.513 3.067 40 0 FGABMO O=c1cc([C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)nc(-c2ccncc2)[nH]1 ZINC000019292692 220245993 /nfs/dbraw/zinc/24/59/93/220245993.db2.gz PWBMGKUSZRZHMK-CQSZACIVSA-N 1 1 368.387 3.100 40 0 FGABMO CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000019454362 220258505 /nfs/dbraw/zinc/25/85/05/220258505.db2.gz ZAADBPRNBSNVIS-HNNXBMFYSA-N 1 1 351.454 3.289 40 0 FGABMO CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3ccccn3)CC[C@H]21 ZINC000019499204 220262573 /nfs/dbraw/zinc/26/25/73/220262573.db2.gz LIRMKHKGGTUWGX-NJDAHSKKSA-N 1 1 367.468 3.447 40 0 FGABMO CCCc1ccc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)s1 ZINC000019525491 220265721 /nfs/dbraw/zinc/26/57/21/220265721.db2.gz CVLLCRGFFGJXOT-UHFFFAOYSA-N 1 1 366.490 3.404 40 0 FGABMO Cc1nc(COC[C@@H]2C[C@H]3OCCN(c4cccc(C)[nH+]4)[C@@H]3C2)cs1 ZINC000107258002 132241595 /nfs/dbraw/zinc/24/15/95/132241595.db2.gz RKMNATBJKCRMJE-CGTJXYLNSA-N 1 1 359.495 3.356 40 0 FGABMO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096059942 222006927 /nfs/dbraw/zinc/00/69/27/222006927.db2.gz BKXROGAKOOIUFN-IBGZPJMESA-N 1 1 355.482 3.438 40 0 FGABMO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096059942 222006930 /nfs/dbraw/zinc/00/69/30/222006930.db2.gz BKXROGAKOOIUFN-IBGZPJMESA-N 1 1 355.482 3.438 40 0 FGABMO c1nc2c(n1CC1CC1)[C@@H](COCC1CCOCC1)C[N@@H+](CC1CC1)C2 ZINC000096068676 222010429 /nfs/dbraw/zinc/01/04/29/222010429.db2.gz QDJTZBDSTWCNFR-LJQANCHMSA-N 1 1 359.514 3.046 40 0 FGABMO CCS(=O)(=O)N1CCC2(C[NH+](Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000096089423 222019870 /nfs/dbraw/zinc/01/98/70/222019870.db2.gz OHQIZQOTDFTQJH-UHFFFAOYSA-N 1 1 370.518 3.211 40 0 FGABMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)c1ccc3[nH]ccc3c1)CCC2 ZINC000096259232 222103826 /nfs/dbraw/zinc/10/38/26/222103826.db2.gz CDJZXONNGMFEPC-UHFFFAOYSA-N 1 1 365.481 3.251 40 0 FGABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)c1ccc3[nH]ccc3c1)CCC2 ZINC000096259232 222103829 /nfs/dbraw/zinc/10/38/29/222103829.db2.gz CDJZXONNGMFEPC-UHFFFAOYSA-N 1 1 365.481 3.251 40 0 FGABMO Cc1cccc(C[N@H+]2CCC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)n1 ZINC000096208561 222078489 /nfs/dbraw/zinc/07/84/89/222078489.db2.gz QRJFOLGNGCOQNA-SFTDATJTSA-N 1 1 353.466 3.125 40 0 FGABMO c1cc(C[N@H+]2Cc3cncn3C[C@H](COCc3ccccn3)C2)cs1 ZINC000096217630 222082035 /nfs/dbraw/zinc/08/20/35/222082035.db2.gz GRFLHVUQAFRRPZ-QGZVFWFLSA-N 1 1 354.479 3.188 40 0 FGABMO c1cc(C[N@@H+]2Cc3cncn3C[C@H](COCc3ccccn3)C2)cs1 ZINC000096217630 222082037 /nfs/dbraw/zinc/08/20/37/222082037.db2.gz GRFLHVUQAFRRPZ-QGZVFWFLSA-N 1 1 354.479 3.188 40 0 FGABMO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]2O1 ZINC000097953810 222218169 /nfs/dbraw/zinc/21/81/69/222218169.db2.gz VQRQWNZHGPZLIC-CGTJXYLNSA-N 1 1 357.479 3.070 40 0 FGABMO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000107228839 222392627 /nfs/dbraw/zinc/39/26/27/222392627.db2.gz USTHHVVYJDPNIW-APWZRJJASA-N 1 1 358.511 3.106 40 0 FGABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccccc1Cl ZINC000010544236 263366264 /nfs/dbraw/zinc/36/62/64/263366264.db2.gz PUSGNZCDJAHWOM-MRXNPFEDSA-N 1 1 358.935 3.414 40 0 FGABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)nc2c1 ZINC000035446777 494077819 /nfs/dbraw/zinc/07/78/19/494077819.db2.gz YXFJSQFHWDDYCH-AWEZNQCLSA-N 1 1 351.406 3.290 40 0 biogenic,in-vitro FGABMO COc1ccc2nc([C@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C3)[nH]c2c1 ZINC000035446777 494077823 /nfs/dbraw/zinc/07/78/23/494077823.db2.gz YXFJSQFHWDDYCH-AWEZNQCLSA-N 1 1 351.406 3.290 40 0 biogenic,in-vitro FGABMO COc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)[nH]c2c1 ZINC000035446777 494077827 /nfs/dbraw/zinc/07/78/27/494077827.db2.gz YXFJSQFHWDDYCH-AWEZNQCLSA-N 1 1 351.406 3.290 40 0 biogenic,in-vitro FGABMO CCCC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072341106 494154819 /nfs/dbraw/zinc/15/48/19/494154819.db2.gz ZKOOZQHMIWXUNW-MMOPVJDHSA-N 1 1 359.466 3.351 40 0 FGABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)NC(C)C)on3)C2)c1 ZINC000072352764 494156039 /nfs/dbraw/zinc/15/60/39/494156039.db2.gz JPYSKCHWARBEBK-MRXNPFEDSA-N 1 1 357.454 3.201 40 0 FGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000010544239 494156834 /nfs/dbraw/zinc/15/68/34/494156834.db2.gz IPSCAOJXRDDLQJ-KRWDZBQOSA-N 1 1 358.935 3.414 40 0 FGABMO O=C(C[N@@H+]1CCC[C@H](c2nccnc2-c2ccccc2F)C1)N1CCCC1 ZINC000072358548 494156945 /nfs/dbraw/zinc/15/69/45/494156945.db2.gz MKWFUJDVGPWFKI-INIZCTEOSA-N 1 1 368.456 3.085 40 0 FGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2nnc(-c3ccc(C)s3)o2)C1 ZINC000072390097 494162417 /nfs/dbraw/zinc/16/24/17/494162417.db2.gz HZGJQNHVSRUWJH-AWEZNQCLSA-N 1 1 362.499 3.154 40 0 FGABMO CCCc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)cn1 ZINC000012242182 494217167 /nfs/dbraw/zinc/21/71/67/494217167.db2.gz WDENSSHPAQUBAC-VSOVRNOCSA-N 1 1 367.493 3.452 40 0 FGABMO O[C@@H](C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000012291701 494218947 /nfs/dbraw/zinc/21/89/47/494218947.db2.gz SVQYGEIDOOWBBN-IBGZPJMESA-N 1 1 355.409 3.420 40 0 FGABMO CCc1ncc(C[N@@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)cn1 ZINC000012365621 494228110 /nfs/dbraw/zinc/22/81/10/494228110.db2.gz ARTVAHHIMXOEPG-UHFFFAOYSA-N 1 1 367.493 3.355 40 0 FGABMO CCc1ncc(C[N@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)cn1 ZINC000012365621 494228117 /nfs/dbraw/zinc/22/81/17/494228117.db2.gz ARTVAHHIMXOEPG-UHFFFAOYSA-N 1 1 367.493 3.355 40 0 FGABMO C[C@@H](C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)c1ccc(Cl)nc1 ZINC000012648459 494249775 /nfs/dbraw/zinc/24/97/75/494249775.db2.gz MGWWCDIQYDUZFF-GXTWGEPZSA-N 1 1 367.877 3.153 40 0 FGABMO C[C@@H](C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)c1ccc(Cl)nc1 ZINC000012648459 494249778 /nfs/dbraw/zinc/24/97/78/494249778.db2.gz MGWWCDIQYDUZFF-GXTWGEPZSA-N 1 1 367.877 3.153 40 0 FGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000044932851 494389443 /nfs/dbraw/zinc/38/94/43/494389443.db2.gz ZSPYQCILEYPRBO-UHFFFAOYSA-N 1 1 371.444 3.356 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)cc1 ZINC000107730593 494591568 /nfs/dbraw/zinc/59/15/68/494591568.db2.gz NVMMFSJYEGPZKD-NHCUHLMSSA-N 1 1 354.450 3.293 40 0 FGABMO c1csc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)n1 ZINC000096040180 494997398 /nfs/dbraw/zinc/99/73/98/494997398.db2.gz KUYKBNFQEURMOI-MJGOQNOKSA-N 1 1 359.495 3.126 40 0 FGABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)n1 ZINC000096040180 494997402 /nfs/dbraw/zinc/99/74/02/494997402.db2.gz KUYKBNFQEURMOI-MJGOQNOKSA-N 1 1 359.495 3.126 40 0 FGABMO Cc1ccccc1C[N@H+]1CC[C@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@@H]2C1 ZINC000096043069 494998882 /nfs/dbraw/zinc/99/88/82/494998882.db2.gz WYJXDRQOHOWFQC-FFZOFVMBSA-N 1 1 351.450 3.008 40 0 FGABMO CC[C@H](Oc1ccc(C)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000147707077 495578235 /nfs/dbraw/zinc/57/82/35/495578235.db2.gz BQWIMGOQKPLVQM-NRFANRHFSA-N 1 1 352.478 3.497 40 0 FGABMO Cc1ncsc1C[N@H+]1Cc2cccn2C[C@H](OCc2ccccn2)C1 ZINC000248012811 496942628 /nfs/dbraw/zinc/94/26/28/496942628.db2.gz GRKLSJHFZVPTLD-GOSISDBHSA-N 1 1 354.479 3.249 40 0 FGABMO Cc1ncsc1C[N@@H+]1Cc2cccn2C[C@H](OCc2ccccn2)C1 ZINC000248012811 496942635 /nfs/dbraw/zinc/94/26/35/496942635.db2.gz GRKLSJHFZVPTLD-GOSISDBHSA-N 1 1 354.479 3.249 40 0 FGABMO O=S(=O)(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccccc1 ZINC000222983905 497030648 /nfs/dbraw/zinc/03/06/48/497030648.db2.gz HUNJJZMHMBAGMI-UHFFFAOYSA-N 1 1 361.854 3.279 40 0 FGABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(-c3ccc(F)cc3)n[nH]1)C2 ZINC000257235059 497393252 /nfs/dbraw/zinc/39/32/52/497393252.db2.gz GWGBAFLZTYPUEZ-RMYQPGKMSA-N 1 1 368.456 3.303 40 0 FGABMO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(-c3ccc(F)cc3)[nH]n1)C2 ZINC000257235059 497393255 /nfs/dbraw/zinc/39/32/55/497393255.db2.gz GWGBAFLZTYPUEZ-RMYQPGKMSA-N 1 1 368.456 3.303 40 0 FGABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(-c3ccc(F)cc3)[nH]n1)C2 ZINC000257235059 497393260 /nfs/dbraw/zinc/39/32/60/497393260.db2.gz GWGBAFLZTYPUEZ-RMYQPGKMSA-N 1 1 368.456 3.303 40 0 FGABMO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2cccc(F)c2)CC[C@@]1(C)O ZINC000604382039 506807996 /nfs/dbraw/zinc/80/79/96/506807996.db2.gz AFIBREVUBDLIAK-PCCBWWKXSA-N 1 1 356.441 3.028 40 0 biogenic,in-vitro FGABMO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2cccc(F)c2)CC[C@@]1(C)O ZINC000604382039 506808002 /nfs/dbraw/zinc/80/80/02/506808002.db2.gz AFIBREVUBDLIAK-PCCBWWKXSA-N 1 1 356.441 3.028 40 0 biogenic,in-vitro FGABMO C[N@H+](Cc1cccnc1)C[C@H]1CCC2(CN(Cc3ccsc3)C2)OC1 ZINC000585103243 507567440 /nfs/dbraw/zinc/56/74/40/507567440.db2.gz AJWQFMKKRHWCKN-GOSISDBHSA-N 1 1 357.523 3.256 40 0 FGABMO COC[C@H]1C[N@@H+](Cc2cccs2)CC12CCN(C(=O)CC1CC1)CC2 ZINC000585104122 507570848 /nfs/dbraw/zinc/57/08/48/507570848.db2.gz WQNWJSQGTKVYAI-QGZVFWFLSA-N 1 1 362.539 3.235 40 0 FGABMO Fc1cccc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)c1 ZINC000585105487 507572823 /nfs/dbraw/zinc/57/28/23/507572823.db2.gz XRQJMOHEZBBNNN-GOSISDBHSA-N 1 1 351.487 3.329 40 0 FGABMO Cc1cncc(C(=O)N2CC[N@H+](C)C[C@H](Cc3ccc4ncccc4c3)C2)c1 ZINC000585261162 507579795 /nfs/dbraw/zinc/57/97/95/507579795.db2.gz VZMYIMDXXCODRY-IBGZPJMESA-N 1 1 374.488 3.185 40 0 FGABMO CC1(C)CCC([N@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585282690 507585057 /nfs/dbraw/zinc/58/50/57/507585057.db2.gz MTNMVIQBOJEOEO-HXUWFJFHSA-N 1 1 351.462 3.237 40 0 FGABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@H+]1Cc1ccccc1Cl ZINC000585292822 507586584 /nfs/dbraw/zinc/58/65/84/507586584.db2.gz OQHWFOOQCBCBQC-KBAYOESNSA-N 1 1 352.261 3.315 40 0 FGABMO Cc1c(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cnn1C ZINC000257318274 533846902 /nfs/dbraw/zinc/84/69/02/533846902.db2.gz VNFIBHCWXGZHPT-SFTDATJTSA-N 1 1 355.482 3.069 40 0 FGABMO Fc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccccn4)C2)OC3)c1 ZINC000306141681 534514087 /nfs/dbraw/zinc/51/40/87/534514087.db2.gz WDQZRJQZDBGDHP-OAQYLSRUSA-N 1 1 364.424 3.259 40 0 FGABMO c1csc(Nc2cc(C[C@@H]3CCC[N@H+](CC4CCOCC4)C3)ncn2)n1 ZINC000257343214 534525082 /nfs/dbraw/zinc/52/50/82/534525082.db2.gz ZRXVJYIYRRPIEH-INIZCTEOSA-N 1 1 373.526 3.358 40 0 FGABMO Cc1cccc(C(=O)N2CC[N@H+](C)C[C@@H](Cc3cnc4ccccc4c3)C2)n1 ZINC000257239957 534593053 /nfs/dbraw/zinc/59/30/53/534593053.db2.gz HROMWUQDXKHXCD-LJQANCHMSA-N 1 1 374.488 3.185 40 0 FGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1ccc(OC)c(OC)c1 ZINC000020111405 523018868 /nfs/dbraw/zinc/01/88/68/523018868.db2.gz CHBZRFNITJIIGT-SFHVURJKSA-N 1 1 362.514 3.407 40 0 FGABMO C[NH+]1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1 ZINC000000538354 523929817 /nfs/dbraw/zinc/92/98/17/523929817.db2.gz PDOCBJADCWMDGL-UHFFFAOYSA-N 1 1 372.687 3.438 40 0 in-man FGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2N1Cc1cccnc1 ZINC000306127805 534853968 /nfs/dbraw/zinc/85/39/68/534853968.db2.gz GICBLRYLTASSDI-MOPGFXCFSA-N 1 1 364.474 3.026 40 0 FGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000020049825 527386441 /nfs/dbraw/zinc/38/64/41/527386441.db2.gz OZUGBOFGOZSSBD-AWEZNQCLSA-N 1 1 353.397 3.404 40 0 FGABMO C[C@@]1(O)CC[N@@H+](CC2CC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289954 560030993 /nfs/dbraw/zinc/03/09/93/560030993.db2.gz QBUAPJLGNFOOLO-IRFCIJBXSA-N 1 1 370.518 3.455 40 0 biogenic,in-vitro FGABMO C[N@H+]1CC[C@@H](COCC2CC2)CC12CN(C(=O)c1c[nH]c3ccccc13)C2 ZINC000306124149 529794278 /nfs/dbraw/zinc/79/42/78/529794278.db2.gz BHSCCVWWAGBAQM-QGZVFWFLSA-N 1 1 367.493 3.131 40 0 FGABMO C[C@]12CCCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)[C@H]1CCCC[NH2+]2 ZINC000257226002 223027921 /nfs/dbraw/zinc/02/79/21/223027921.db2.gz FITBFZFRAOOFIH-ICSRJNTNSA-N 1 1 356.445 3.353 40 0 FGABMO Cc1cccnc1Nc1cc(CC2CC[NH+](Cc3cc[nH]n3)CC2)ncn1 ZINC000257232529 223030829 /nfs/dbraw/zinc/03/08/29/223030829.db2.gz GLGODNUPSYHBFX-UHFFFAOYSA-N 1 1 363.469 3.101 40 0 FGABMO Cc1cccc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)C(C)C)CCO3)c2)n1 ZINC000257240717 223033772 /nfs/dbraw/zinc/03/37/72/223033772.db2.gz HUUXBIUFIYKKIW-GOSISDBHSA-N 1 1 354.454 3.393 40 0 FGABMO CO[C@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)CC[C@@]12CCCO2 ZINC000257273995 223046624 /nfs/dbraw/zinc/04/66/24/223046624.db2.gz NJBWGBOYSIFWPR-FPOVZHCZSA-N 1 1 354.450 3.048 40 0 FGABMO CO[C@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)CC[C@@]12CCCO2 ZINC000257273995 223046626 /nfs/dbraw/zinc/04/66/26/223046626.db2.gz NJBWGBOYSIFWPR-FPOVZHCZSA-N 1 1 354.450 3.048 40 0 FGABMO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCC[N@H+]2CC2CCOCC2)n1 ZINC000257277393 223048105 /nfs/dbraw/zinc/04/81/05/223048105.db2.gz NXUHJOPBLDAGCK-SFHVURJKSA-N 1 1 368.485 3.272 40 0 FGABMO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cn(C)cn3)C2)n1 ZINC000257307392 223059149 /nfs/dbraw/zinc/05/91/49/223059149.db2.gz SYLBNFQSUIUMCN-MRXNPFEDSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cn(C)cn3)C2)n1 ZINC000257307392 223059151 /nfs/dbraw/zinc/05/91/51/223059151.db2.gz SYLBNFQSUIUMCN-MRXNPFEDSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1nc(Nc2cc([C@@H]3CC[N@H+](Cc4cc[nH]n4)C3)nc(C)n2)sc1C ZINC000257303218 223057880 /nfs/dbraw/zinc/05/78/80/223057880.db2.gz SGGKTIAFRPBXHL-CQSZACIVSA-N 1 1 369.498 3.315 40 0 FGABMO Cc1nc(Nc2cc([C@@H]3CC[N@@H+](Cc4cc[nH]n4)C3)nc(C)n2)sc1C ZINC000257303218 223057884 /nfs/dbraw/zinc/05/78/84/223057884.db2.gz SGGKTIAFRPBXHL-CQSZACIVSA-N 1 1 369.498 3.315 40 0 FGABMO Cc1c[nH]c(-c2nccnc2C[C@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000257336617 223071183 /nfs/dbraw/zinc/07/11/83/223071183.db2.gz YPFRSBKNIQWTGE-CQSZACIVSA-N 1 1 354.483 3.086 40 0 FGABMO C/C(=C\c1ccccc1)C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1nccn1C ZINC000019014340 220234195 /nfs/dbraw/zinc/23/41/95/220234195.db2.gz GQTGZTHFHJFNDW-YZYWCLJBSA-N 1 1 351.494 3.443 40 0 FGABMO COc1c(C)cccc1CN1C[C@@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000019235893 220242768 /nfs/dbraw/zinc/24/27/68/220242768.db2.gz BEUOVUAKPIBVNI-LJQANCHMSA-N 1 1 352.478 3.440 40 0 FGABMO Cc1cnc(-c2nc([C@H]3CCC[N@H+](Cc4cccc(F)c4F)C3)no2)cn1 ZINC000019239031 220243390 /nfs/dbraw/zinc/24/33/90/220243390.db2.gz TUGYYNDBDOXFPW-AWEZNQCLSA-N 1 1 371.391 3.493 40 0 FGABMO Cc1cnc(-c2nc([C@H]3CCC[N@@H+](Cc4cccc(F)c4F)C3)no2)cn1 ZINC000019239031 220243393 /nfs/dbraw/zinc/24/33/93/220243393.db2.gz TUGYYNDBDOXFPW-AWEZNQCLSA-N 1 1 371.391 3.493 40 0 FGABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000019288231 220246175 /nfs/dbraw/zinc/24/61/75/220246175.db2.gz DXBPJCRAKIFLDG-JOCHJYFZSA-N 1 1 374.488 3.369 40 0 FGABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019287688 220246815 /nfs/dbraw/zinc/24/68/15/220246815.db2.gz OOXODYDHBZGOHY-WMLDXEAASA-N 1 1 351.454 3.110 40 0 FGABMO Clc1ccc(C[N@H+]2CCC[C@@H](Cn3nnc(-c4cccnc4)n3)C2)cc1 ZINC000019341553 220251484 /nfs/dbraw/zinc/25/14/84/220251484.db2.gz SNJCSECZZHFTON-MRXNPFEDSA-N 1 1 368.872 3.301 40 0 FGABMO CCOc1ccccc1C[N@H+]1CCC[C@@H](c2cc(N)n3nc(C)cc3n2)C1 ZINC000019520175 220265531 /nfs/dbraw/zinc/26/55/31/220265531.db2.gz XNIAJWKRFYIBOY-MRXNPFEDSA-N 1 1 365.481 3.398 40 0 FGABMO COc1cc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)cc(OC)c1OC ZINC000019549652 220269254 /nfs/dbraw/zinc/26/92/54/220269254.db2.gz LLNKDHRIUDSPPI-SFHVURJKSA-N 1 1 372.465 3.289 40 0 FGABMO COc1cc(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)cc(OC)c1OC ZINC000019549652 220269260 /nfs/dbraw/zinc/26/92/60/220269260.db2.gz LLNKDHRIUDSPPI-SFHVURJKSA-N 1 1 372.465 3.289 40 0 FGABMO COc1c(C[N@@H+]2CCc3onc(Nc4ccccc4F)c3C2)c(C)nn1C ZINC000019577969 220275335 /nfs/dbraw/zinc/27/53/35/220275335.db2.gz MKGSNQTVMQGIFJ-UHFFFAOYSA-N 1 1 371.416 3.166 40 0 FGABMO COc1c(C[N@H+]2CCc3onc(Nc4ccccc4F)c3C2)c(C)nn1C ZINC000019577969 220275338 /nfs/dbraw/zinc/27/53/38/220275338.db2.gz MKGSNQTVMQGIFJ-UHFFFAOYSA-N 1 1 371.416 3.166 40 0 FGABMO Cn1nc(C(F)(F)F)c2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)sc21 ZINC000020616196 220336305 /nfs/dbraw/zinc/33/63/05/220336305.db2.gz RNIBYGPJJGVMJC-PBINXNQUSA-N 1 1 372.416 3.009 40 0 FGABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](Cc4ccccn4)C3)nc2c1 ZINC000049169130 221020231 /nfs/dbraw/zinc/02/02/31/221020231.db2.gz JUQWACAANSKJFZ-AWEZNQCLSA-N 1 1 371.462 3.006 40 0 biogenic,in-vitro FGABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@@H+](Cc4ccccn4)C3)nc2c1 ZINC000049169130 221020233 /nfs/dbraw/zinc/02/02/33/221020233.db2.gz JUQWACAANSKJFZ-AWEZNQCLSA-N 1 1 371.462 3.006 40 0 biogenic,in-vitro FGABMO C[NH+](C)[C@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccccc1F ZINC000057811607 221094330 /nfs/dbraw/zinc/09/43/30/221094330.db2.gz FXHWZNBBIGRFMZ-LJQANCHMSA-N 1 1 370.403 3.183 40 0 FGABMO O=C(Cc1cccc(Cl)c1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000067908007 221304290 /nfs/dbraw/zinc/30/42/90/221304290.db2.gz FNHFQSQKVSPATE-UHFFFAOYSA-N 1 1 358.869 3.031 40 0 FGABMO c1ccc(CC[N@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cc1 ZINC000096107305 222026426 /nfs/dbraw/zinc/02/64/26/222026426.db2.gz BOFAYRLAMOZWJY-YADHBBJMSA-N 1 1 352.478 3.464 40 0 FGABMO Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccco4)[C@@H]3C2)n1 ZINC000096054586 222003226 /nfs/dbraw/zinc/00/32/26/222003226.db2.gz WNSPPFIOWBRUPQ-ILZDJORESA-N 1 1 353.466 3.356 40 0 FGABMO CCS(=O)(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000096071275 222012676 /nfs/dbraw/zinc/01/26/76/222012676.db2.gz XJMWLMBQHPXRKE-KRWDZBQOSA-N 1 1 356.919 3.120 40 0 FGABMO O=C(C1CCCCC1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096239959 222095094 /nfs/dbraw/zinc/09/50/94/222095094.db2.gz NPALJVVMZXSUQB-UHFFFAOYSA-N 1 1 371.525 3.103 40 0 FGABMO Cc1ccccc1C[N@H+]1CC[C@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244097 222098119 /nfs/dbraw/zinc/09/81/19/222098119.db2.gz FVZIIJNLDISDRH-QFIPXVFZSA-N 1 1 364.493 3.281 40 0 FGABMO CC[NH+](CC)Cc1nc2c(o1)CN(C(=O)c1ccc3ncccc3c1)C2 ZINC000096260264 222103980 /nfs/dbraw/zinc/10/39/80/222103980.db2.gz CRTPTUZYBSRMQH-UHFFFAOYSA-N 1 1 350.422 3.221 40 0 FGABMO Cc1ccc(C[N@H+]2CCCC3(CCN(C(=O)[C@H]4CCOC4)CC3)C2)cc1 ZINC000096158522 222058010 /nfs/dbraw/zinc/05/80/10/222058010.db2.gz DCOUWJWGQKYPDU-FQEVSTJZSA-N 1 1 356.510 3.236 40 0 FGABMO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@@H+](CCO)Cc1ccccc1 ZINC000002694433 493815365 /nfs/dbraw/zinc/81/53/65/493815365.db2.gz LUARTIXBNIEQLK-QUCCMNQESA-N 1 1 357.494 3.434 40 0 FGABMO O=C(CNCC[NH+]1CCCCC1)Nc1ccccc1N1CCCCCC1 ZINC000035311419 494074298 /nfs/dbraw/zinc/07/42/98/494074298.db2.gz WREFEPXJOXXCGC-UHFFFAOYSA-N 1 1 358.530 3.081 40 0 FGABMO O=C(NCc1ccncc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063678 494114154 /nfs/dbraw/zinc/11/41/54/494114154.db2.gz ZIVBASLKSIEAGZ-UHFFFAOYSA-N 1 1 361.848 3.403 40 0 FGABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227604 494145103 /nfs/dbraw/zinc/14/51/03/494145103.db2.gz DZAVYZUYQNATGO-HUUCEWRRSA-N 1 1 351.189 3.137 40 0 FGABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000072228071 494145191 /nfs/dbraw/zinc/14/51/91/494145191.db2.gz YQYYBUXLQBGBFO-HOTGVXAUSA-N 1 1 361.239 3.263 40 0 FGABMO Cc1cc(C)n2nc(C3=CC[N@@H+](C[C@@H](O)c4ccccc4F)CC3)cc2n1 ZINC000072342776 494154871 /nfs/dbraw/zinc/15/48/71/494154871.db2.gz XZALQBPNWLOUOC-HXUWFJFHSA-N 1 1 366.440 3.308 40 0 FGABMO Cc1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000072350533 494156417 /nfs/dbraw/zinc/15/64/17/494156417.db2.gz XYPGSVRMCQYHJQ-INIZCTEOSA-N 1 1 365.412 3.130 40 0 FGABMO CC(=O)NCc1cnc([C@H]2CCC[N@H+]2C2CCOCC2)cc1C(F)(F)F ZINC000072356202 494157348 /nfs/dbraw/zinc/15/73/48/494157348.db2.gz INMCJLFTVDXKFY-QGZVFWFLSA-N 1 1 371.403 3.052 40 0 FGABMO Fc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377419 494159452 /nfs/dbraw/zinc/15/94/52/494159452.db2.gz UVHUQHSIVYTNGW-KRWDZBQOSA-N 1 1 350.401 3.486 40 0 FGABMO Fc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377419 494159457 /nfs/dbraw/zinc/15/94/57/494159457.db2.gz UVHUQHSIVYTNGW-KRWDZBQOSA-N 1 1 350.401 3.486 40 0 FGABMO O=C(C[NH+]1CCC(n2cnc3cccnc32)CC1)Nc1ccccc1Cl ZINC000012114647 494204598 /nfs/dbraw/zinc/20/45/98/494204598.db2.gz MMBZDBMAFJLBDU-UHFFFAOYSA-N 1 1 369.856 3.360 40 0 FGABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119169 494205992 /nfs/dbraw/zinc/20/59/92/494205992.db2.gz GXYNGJFWIHXDHZ-SFHVURJKSA-N 1 1 365.433 3.390 40 0 FGABMO Cc1cnc2[nH]c(-c3cccs3)c(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2c1 ZINC000012223075 494216107 /nfs/dbraw/zinc/21/61/07/494216107.db2.gz WVJBPZGQEOIKFS-CYBMUJFWSA-N 1 1 354.479 3.297 40 0 FGABMO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)n[nH]1 ZINC000019708921 494456230 /nfs/dbraw/zinc/45/62/30/494456230.db2.gz RIQUDFRTXWJVSS-SFHVURJKSA-N 1 1 355.417 3.069 40 0 FGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1cnccn1 ZINC000019712872 494456393 /nfs/dbraw/zinc/45/63/93/494456393.db2.gz VHJNRLPHCSUMIP-NRSPTQNISA-N 1 1 364.493 3.177 40 0 FGABMO CNc1cc(CN(C)Cc2cccc3ncccc23)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759956 494460474 /nfs/dbraw/zinc/46/04/74/494460474.db2.gz KDOYBQVJEUSBEL-LJQANCHMSA-N 1 1 362.481 3.123 40 0 FGABMO Cc1ncc(C[NH+]2CCC3(CC(=O)N(Cc4cccc(C)c4)C3)CC2)[nH]1 ZINC000108524789 494730295 /nfs/dbraw/zinc/73/02/95/494730295.db2.gz UHJIZBNWVGKSDL-UHFFFAOYSA-N 1 1 352.482 3.041 40 0 FGABMO Cc1ccc(F)c(C[N@H+]2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)c1 ZINC000108535682 494732172 /nfs/dbraw/zinc/73/21/72/494732172.db2.gz NFUIMILPBXTHQA-SFTDATJTSA-N 1 1 355.457 3.004 40 0 FGABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3OC)n[nH]2)cc1OCC ZINC000095534571 494989937 /nfs/dbraw/zinc/98/99/37/494989937.db2.gz ZLBPODJJJVYEHS-GOSISDBHSA-N 1 1 368.437 3.326 40 0 FGABMO CN(Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048074 494998738 /nfs/dbraw/zinc/99/87/38/494998738.db2.gz ZSEFMFNQHRMMOY-LJQANCHMSA-N 1 1 357.523 3.399 40 0 FGABMO Cc1cc(C)n(Cc2ccc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000140256762 495492143 /nfs/dbraw/zinc/49/21/43/495492143.db2.gz PZNFWOQLGDHIAW-KRWDZBQOSA-N 1 1 368.525 3.400 40 0 FGABMO COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CCN(C(=O)c1ccco1)CC2 ZINC000247899682 496926145 /nfs/dbraw/zinc/92/61/45/496926145.db2.gz VRMIOOOUCDODEG-QGZVFWFLSA-N 1 1 374.506 3.342 40 0 FGABMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(OC[C@H]3CCCO3)c2)C1 ZINC000247957509 496932359 /nfs/dbraw/zinc/93/23/59/496932359.db2.gz OGKGTIPNROVSPT-FGZHOGPDSA-N 1 1 353.462 3.338 40 0 FGABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1c(C)cc(OC)cc1C ZINC000223105301 497032037 /nfs/dbraw/zinc/03/20/37/497032037.db2.gz HWXHNPLGQGSSIA-QGZVFWFLSA-N 1 1 368.543 3.245 40 0 FGABMO Cc1ccnc(NC(=S)NCCNc2cc[nH+]c3cc(Cl)ccc23)n1 ZINC000225215554 497058632 /nfs/dbraw/zinc/05/86/32/497058632.db2.gz NITVSBMTBQRPFZ-UHFFFAOYSA-N 1 1 372.885 3.385 40 0 FGABMO Cc1nn(C)c(C)c1C(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000225884552 497078277 /nfs/dbraw/zinc/07/82/77/497078277.db2.gz FVKKNFAZOYANJO-UHFFFAOYSA-N 1 1 357.845 3.080 40 0 FGABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(CC)cc1 ZINC000252515101 497309579 /nfs/dbraw/zinc/30/95/79/497309579.db2.gz HAIVUHIJGITGAJ-NJYVYQBISA-N 1 1 373.518 3.231 40 0 FGABMO CC(C)C[N@H+]1CC[C@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585102075 507568290 /nfs/dbraw/zinc/56/82/90/507568290.db2.gz QIMCHCZMGAOITE-KRWDZBQOSA-N 1 1 355.404 3.437 40 0 FGABMO CC1(C)CCC([N@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282009 507583895 /nfs/dbraw/zinc/58/38/95/507583895.db2.gz FLTUQLAQFWJRNJ-HXUWFJFHSA-N 1 1 351.462 3.237 40 0 FGABMO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@H+](C3CCCCC3)CC[C@@H]2O)c1 ZINC000585284580 507584834 /nfs/dbraw/zinc/58/48/34/507584834.db2.gz YQEIGRWZDRZIHU-OALUTQOASA-N 1 1 353.890 3.158 40 0 FGABMO c1cc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccnc4)C2)OC3)cs1 ZINC000306132704 534465952 /nfs/dbraw/zinc/46/59/52/534465952.db2.gz LPQPYANUMWEXHS-IBGZPJMESA-N 1 1 352.463 3.182 40 0 FGABMO C[C@@H]1C[N@@H+](C[C@H](Cc2ccccc2)C(N)=O)CC[C@@]1(C)c1cccc(O)c1 ZINC000390823266 524973340 /nfs/dbraw/zinc/97/33/40/524973340.db2.gz XIXMDCGNWYDFMB-HFJQGTKSSA-N 1 1 366.505 3.336 40 0 FGABMO CCc1cnc(N2CCC3(CCC[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC000096158495 536057477 /nfs/dbraw/zinc/05/74/77/536057477.db2.gz IDBHBQHSAWNDOU-UHFFFAOYSA-N 1 1 351.498 3.317 40 0 FGABMO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C(C)(C)C1 ZINC000514289911 560031336 /nfs/dbraw/zinc/03/13/36/560031336.db2.gz PXMJKDSERMPDQW-GOSISDBHSA-N 1 1 363.933 3.217 40 0 biogenic,in-vitro FGABMO C[N@H+]1CC[C@H](COCC2CC2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306136138 529804928 /nfs/dbraw/zinc/80/49/28/529804928.db2.gz PKLWMCCHDGFRQK-KRWDZBQOSA-N 1 1 367.493 3.131 40 0 FGABMO C[N@H+]1CC[C@H](COCC2CC2)CC12CN(C(=O)c1c[nH]c3ccccc13)C2 ZINC000306124148 529805022 /nfs/dbraw/zinc/80/50/22/529805022.db2.gz BHSCCVWWAGBAQM-KRWDZBQOSA-N 1 1 367.493 3.131 40 0 FGABMO C[NH2+]CCCNc1cc(C)nc2ccc(I)cc21 ZINC000222688062 222745195 /nfs/dbraw/zinc/74/51/95/222745195.db2.gz LNEHHAAUYJMFLR-UHFFFAOYSA-N 1 1 355.223 3.169 40 0 FGABMO COc1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1cccc(CNC(C)=O)n1 ZINC000257210714 223020433 /nfs/dbraw/zinc/02/04/33/223020433.db2.gz BVVFXGHSOUASPH-LJQANCHMSA-N 1 1 357.429 3.203 40 0 FGABMO COc1cccc(F)c1C[N@H+]1CCC[C@@H]1c1cccc(CNC(C)=O)n1 ZINC000257210714 223020437 /nfs/dbraw/zinc/02/04/37/223020437.db2.gz BVVFXGHSOUASPH-LJQANCHMSA-N 1 1 357.429 3.203 40 0 FGABMO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)s1 ZINC000257213764 223021852 /nfs/dbraw/zinc/02/18/52/223021852.db2.gz CIZRYPKEXOPVSF-CYBMUJFWSA-N 1 1 355.471 3.088 40 0 FGABMO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)s1 ZINC000257213764 223021857 /nfs/dbraw/zinc/02/18/57/223021857.db2.gz CIZRYPKEXOPVSF-CYBMUJFWSA-N 1 1 355.471 3.088 40 0 FGABMO Cc1cccc(Nc2cnc([C@@H]3CCC[N@@H+](Cc4nccn4C)C3)cn2)n1 ZINC000257235206 223031930 /nfs/dbraw/zinc/03/19/30/223031930.db2.gz GWWROPNLHQWGJP-MRXNPFEDSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1cccc(Nc2cnc([C@@H]3CCC[N@H+](Cc4nccn4C)C3)cn2)n1 ZINC000257235206 223031934 /nfs/dbraw/zinc/03/19/34/223031934.db2.gz GWWROPNLHQWGJP-MRXNPFEDSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3ccnn3C)C2)s1 ZINC000257242580 223034376 /nfs/dbraw/zinc/03/43/76/223034376.db2.gz IDENGWZFBVMIJM-CQSZACIVSA-N 1 1 369.498 3.098 40 0 FGABMO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3ccnn3C)C2)s1 ZINC000257242580 223034380 /nfs/dbraw/zinc/03/43/80/223034380.db2.gz IDENGWZFBVMIJM-CQSZACIVSA-N 1 1 369.498 3.098 40 0 FGABMO COc1ncc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)c2)cn1 ZINC000257265125 223042807 /nfs/dbraw/zinc/04/28/07/223042807.db2.gz LXKIPBVGPVJEDK-KRWDZBQOSA-N 1 1 362.437 3.356 40 0 FGABMO COc1ncc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)c2)cn1 ZINC000257265125 223042811 /nfs/dbraw/zinc/04/28/11/223042811.db2.gz LXKIPBVGPVJEDK-KRWDZBQOSA-N 1 1 362.437 3.356 40 0 FGABMO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@H+](CCCc2ccccc2)C1 ZINC000015674624 220159669 /nfs/dbraw/zinc/15/96/69/220159669.db2.gz VXQMKLYKEKXLSQ-UXHICEINSA-N 1 1 363.461 3.401 40 0 biogenic,in-vitro FGABMO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@@H+](CCCc2ccccc2)C1 ZINC000015674624 220159672 /nfs/dbraw/zinc/15/96/72/220159672.db2.gz VXQMKLYKEKXLSQ-UXHICEINSA-N 1 1 363.461 3.401 40 0 biogenic,in-vitro FGABMO Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000019286351 220246608 /nfs/dbraw/zinc/24/66/08/220246608.db2.gz SHKSJFUSVLTJGE-CABCVRRESA-N 1 1 363.383 3.229 40 0 FGABMO O=c1cc(-c2ccncc2)nc([C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)[nH]1 ZINC000019292699 220247287 /nfs/dbraw/zinc/24/72/87/220247287.db2.gz MAAKOQBHIIEENQ-HNNXBMFYSA-N 1 1 368.387 3.100 40 0 FGABMO O=c1cc(-c2ccncc2)nc([C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)[nH]1 ZINC000019292699 220247289 /nfs/dbraw/zinc/24/72/89/220247289.db2.gz MAAKOQBHIIEENQ-HNNXBMFYSA-N 1 1 368.387 3.100 40 0 FGABMO Fc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019348977 220253007 /nfs/dbraw/zinc/25/30/07/220253007.db2.gz JSVVPJGMTBTDQO-VNQPRFMTSA-N 1 1 365.403 3.320 40 0 FGABMO Nc1n[nH]c2nc([C@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)ccc12 ZINC000019742827 220292610 /nfs/dbraw/zinc/29/26/10/220292610.db2.gz RADDXMLYAFOSBO-HNNXBMFYSA-N 1 1 358.449 3.468 40 0 FGABMO Nc1[nH]nc2nc([C@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)ccc12 ZINC000019742827 220292612 /nfs/dbraw/zinc/29/26/12/220292612.db2.gz RADDXMLYAFOSBO-HNNXBMFYSA-N 1 1 358.449 3.468 40 0 FGABMO Nc1[nH]nc2nc([C@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)ccc12 ZINC000019742827 220292614 /nfs/dbraw/zinc/29/26/14/220292614.db2.gz RADDXMLYAFOSBO-HNNXBMFYSA-N 1 1 358.449 3.468 40 0 FGABMO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccoc4)C2)OC3)c1 ZINC000306143570 533370584 /nfs/dbraw/zinc/37/05/84/533370584.db2.gz YFQKQJJPSGRRIC-NRFANRHFSA-N 1 1 365.433 3.327 40 0 FGABMO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(CNC(C)=O)n2)c1F ZINC000257247771 533478659 /nfs/dbraw/zinc/47/86/59/533478659.db2.gz JAKINYMEKPMOSD-GOSISDBHSA-N 1 1 357.429 3.203 40 0 FGABMO COc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(CNC(C)=O)n2)c1F ZINC000257247771 533478664 /nfs/dbraw/zinc/47/86/64/533478664.db2.gz JAKINYMEKPMOSD-GOSISDBHSA-N 1 1 357.429 3.203 40 0 FGABMO Cn1ccnc1C[NH+]1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 ZINC000096080240 132218667 /nfs/dbraw/zinc/21/86/67/132218667.db2.gz LRTMRARMFFKCLB-UHFFFAOYSA-N 1 1 364.493 3.101 40 0 FGABMO C[C@H](CO)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329002194 132372307 /nfs/dbraw/zinc/37/23/07/132372307.db2.gz KGLKVHYOYVVKMT-GFCCVEGCSA-N 1 1 358.873 3.363 40 0 FGABMO C[C@H](CO)Nc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329002194 132372308 /nfs/dbraw/zinc/37/23/08/132372308.db2.gz KGLKVHYOYVVKMT-GFCCVEGCSA-N 1 1 358.873 3.363 40 0 FGABMO O=C1C(c2ccccc2)Sc2c(N3CCOCC3)nc3ccccc3[n+]21 ZINC000009970821 132381600 /nfs/dbraw/zinc/38/16/00/132381600.db2.gz CSAOIGRSVHHZDG-UHFFFAOYSA-O 1 1 364.450 3.244 40 0 FGABMO CC(C)CC[N@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 ZINC000096111832 222029020 /nfs/dbraw/zinc/02/90/20/222029020.db2.gz NFQMOVNNRJMKCJ-ICSRJNTNSA-N 1 1 365.477 3.496 40 0 biogenic,in-vitro FGABMO Cc1nc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cs1 ZINC000096050626 222001571 /nfs/dbraw/zinc/00/15/71/222001571.db2.gz ZRRQOALIVLNCHF-LJQANCHMSA-N 1 1 359.470 3.215 40 0 FGABMO Cc1ccc(C[N@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3COC[C@H]32)s1 ZINC000096055881 222004807 /nfs/dbraw/zinc/00/48/07/222004807.db2.gz CQMOCFISINEXIX-GVDBMIGSSA-N 1 1 350.509 3.237 40 0 FGABMO C[N@H+](Cc1ccco1)[C@@H]1CN(C(=O)c2cccs2)C[C@@H]2CCCO[C@H]12 ZINC000096057154 222005852 /nfs/dbraw/zinc/00/58/52/222005852.db2.gz XWMQIXLFYQZDDZ-LESCRADOSA-N 1 1 360.479 3.093 40 0 FGABMO C[N@@H+](Cc1ccco1)[C@@H]1CN(C(=O)c2cccs2)C[C@@H]2CCCO[C@H]12 ZINC000096057154 222005855 /nfs/dbraw/zinc/00/58/55/222005855.db2.gz XWMQIXLFYQZDDZ-LESCRADOSA-N 1 1 360.479 3.093 40 0 FGABMO CCc1cccc(NC(=O)N2CCCn3cnc(C[NH+]4CCCC4)c3C2)c1 ZINC000096259328 222103304 /nfs/dbraw/zinc/10/33/04/222103304.db2.gz SCCDXCUALKXPJI-UHFFFAOYSA-N 1 1 367.497 3.479 40 0 FGABMO CCC[N@H+]1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC000096143111 222047213 /nfs/dbraw/zinc/04/72/13/222047213.db2.gz FLTXCXBGMUDNMP-FQEVSTJZSA-N 1 1 356.491 3.202 40 0 FGABMO O=C(C[C@H]1OC[C@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21)Nc1cccnc1 ZINC000096206494 222075979 /nfs/dbraw/zinc/07/59/79/222075979.db2.gz HUPFGFPTROPFFA-KBAYOESNSA-N 1 1 357.479 3.009 40 0 FGABMO CCOC[C@H]1CCC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)[N@H+]1C ZINC000096207263 222076410 /nfs/dbraw/zinc/07/64/10/222076410.db2.gz ZFOTWBNUNDFGLM-MRXNPFEDSA-N 1 1 350.528 3.470 40 0 FGABMO Cc1ccc(C(=O)N2CCC3(CC[C@@H](COCC4CC4)[N@@H+]3C)CC2)cc1 ZINC000096208677 222078416 /nfs/dbraw/zinc/07/84/16/222078416.db2.gz PGYBJKOVVBGFHB-FQEVSTJZSA-N 1 1 356.510 3.491 40 0 FGABMO COC[C@H]1CC2(C[N@H+]1C)CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 ZINC000096207815 222078482 /nfs/dbraw/zinc/07/84/82/222078482.db2.gz JSODJDMRBXNRTH-CQSZACIVSA-N 1 1 354.853 3.052 40 0 FGABMO [NH3+][C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Br)s1 ZINC000072228203 494145268 /nfs/dbraw/zinc/14/52/68/494145268.db2.gz GFOIUIWCUAXIQX-STQMWFEESA-N 1 1 355.232 3.061 40 0 FGABMO CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCC[N@@H+](Cc3ccncc3)C2)C1 ZINC000072334230 494153758 /nfs/dbraw/zinc/15/37/58/494153758.db2.gz ZJRWCPOKVKCGJJ-QFIPXVFZSA-N 1 1 365.477 3.166 40 0 FGABMO COCCOc1ccc(C[N@@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)cc1 ZINC000072343280 494154844 /nfs/dbraw/zinc/15/48/44/494154844.db2.gz HFJSOHIMRVEYOZ-LEWJYISDSA-N 1 1 366.461 3.255 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C)c(C)c(=O)[nH]3)C2)cc1OC ZINC000072351247 494155750 /nfs/dbraw/zinc/15/57/50/494155750.db2.gz UDEXLYOZJNLNRK-INIZCTEOSA-N 1 1 357.454 3.196 40 0 FGABMO FC(F)(F)c1cc([C@H]2CCC[NH2+]2)nc2n[nH]c(NCc3ccccn3)c21 ZINC000072380747 494160853 /nfs/dbraw/zinc/16/08/53/494160853.db2.gz ACPKCVCLSCPHII-GFCCVEGCSA-N 1 1 362.359 3.408 40 0 FGABMO O=c1cc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)nc(-c2ccncc2)[nH]1 ZINC000072392894 494162525 /nfs/dbraw/zinc/16/25/25/494162525.db2.gz CTKJMSDKTLCOEI-KRWDZBQOSA-N 1 1 364.424 3.351 40 0 FGABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]nc4nccnc43)C2)cc1OC ZINC000072393832 494163834 /nfs/dbraw/zinc/16/38/34/494163834.db2.gz UPOWTLCMBJAVMZ-HNNXBMFYSA-N 1 1 367.453 3.140 40 0 FGABMO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](CC1=Cc3ccccc3OC1)CC2 ZINC000012122407 494207301 /nfs/dbraw/zinc/20/73/01/494207301.db2.gz SOCOHFFHRSKASW-UHFFFAOYSA-N 1 1 372.428 3.078 40 0 FGABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000012143471 494208209 /nfs/dbraw/zinc/20/82/09/494208209.db2.gz PFDLWEBWAAQVOC-UHFFFAOYSA-N 1 1 367.493 3.057 40 0 FGABMO CCn1ncc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)c1C ZINC000012187393 494212001 /nfs/dbraw/zinc/21/20/01/494212001.db2.gz BLTJJBUERAJTPV-SFHVURJKSA-N 1 1 357.454 3.121 40 0 FGABMO CCn1ncc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)c1C ZINC000012187393 494212006 /nfs/dbraw/zinc/21/20/06/494212006.db2.gz BLTJJBUERAJTPV-SFHVURJKSA-N 1 1 357.454 3.121 40 0 FGABMO Cc1ccc(CN(CCC[NH+](C)C)Cc2[nH]nnc2-c2ccccc2)o1 ZINC000043277916 494282679 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CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(OC)cc3)C2)no1 ZINC000019503687 220266953 /nfs/dbraw/zinc/26/69/53/220266953.db2.gz MZFMWSCBBSZFSR-MRXNPFEDSA-N 1 1 357.454 3.203 40 0 FGABMO Cc1cc(C[N@@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)c(C)s1 ZINC000019567979 220273588 /nfs/dbraw/zinc/27/35/88/220273588.db2.gz CDZMDMCEISDSBQ-UHFFFAOYSA-N 1 1 352.463 3.481 40 0 FGABMO Cc1cc(C[N@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)c(C)s1 ZINC000019567979 220273593 /nfs/dbraw/zinc/27/35/93/220273593.db2.gz CDZMDMCEISDSBQ-UHFFFAOYSA-N 1 1 352.463 3.481 40 0 FGABMO COCCc1ncc(C[N@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 ZINC000019658580 220284107 /nfs/dbraw/zinc/28/41/07/220284107.db2.gz ADKBNFXKDLJJQF-MRXNPFEDSA-N 1 1 359.445 3.096 40 0 FGABMO C[NH+]1CCN(C(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)CC1 ZINC000059061764 221124095 /nfs/dbraw/zinc/12/40/95/221124095.db2.gz QQZZBDXWJGVBML-UHFFFAOYSA-N 1 1 354.841 3.271 40 0 FGABMO c1ccc(N2CCC[C@@]3(CC[N@H+](Cc4ccc5c(c4)OCO5)C3)C2)nc1 ZINC000096216664 132222629 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COc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000096051171 222001639 /nfs/dbraw/zinc/00/16/39/222001639.db2.gz HCXVSBUZVLIRMK-LJQANCHMSA-N 1 1 374.435 3.223 40 0 FGABMO Cc1ccc(C[N@H+]2C[C@@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)o1 ZINC000096052254 222003072 /nfs/dbraw/zinc/00/30/72/222003072.db2.gz DWALCSUBUOCBSC-IBGZPJMESA-N 1 1 354.450 3.455 40 0 FGABMO CCc1ccc(C(=O)N2CCCn3cnc(C[N@H+](C)C(C)C)c3C2)cc1 ZINC000096259223 222103480 /nfs/dbraw/zinc/10/34/80/222103480.db2.gz FYWQORFNOXFXHN-UHFFFAOYSA-N 1 1 354.498 3.332 40 0 FGABMO CCc1ccc(C(=O)N2CCCn3cnc(C[N@@H+](C)C(C)C)c3C2)cc1 ZINC000096259223 222103482 /nfs/dbraw/zinc/10/34/82/222103482.db2.gz FYWQORFNOXFXHN-UHFFFAOYSA-N 1 1 354.498 3.332 40 0 FGABMO COc1cccc(C[N@@H+]2C[C@H]3[C@H](CC[C@@]34N=C(C)N(CC(C)C)C4=O)C2)c1 ZINC000096261546 222104288 /nfs/dbraw/zinc/10/42/88/222104288.db2.gz FKCJOJQJCIDTCK-KAGYGMCKSA-N 1 1 369.509 3.192 40 0 FGABMO O=C(NCc1cccs1)[C@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2CC1CC1 ZINC000096143905 222046862 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NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019348479 220250928 /nfs/dbraw/zinc/25/09/28/220250928.db2.gz APNRVLOBICSDOG-HSZRJFAPSA-N 1 1 372.472 3.064 40 0 FGABMO CC(C)Oc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3N2CCOCC2)c1 ZINC000019450809 220258478 /nfs/dbraw/zinc/25/84/78/220258478.db2.gz JLWWLSRXSIZWOZ-RLAPIPATSA-N 1 1 358.526 3.407 40 0 FGABMO CCCOc1ccccc1C[N@H+]1CC[C@H](c2nnc(-c3cnccn3)o2)C1 ZINC000019525160 220265749 /nfs/dbraw/zinc/26/57/49/220265749.db2.gz MEFMTJAGUGKYRE-INIZCTEOSA-N 1 1 365.437 3.305 40 0 FGABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000019575276 220276842 /nfs/dbraw/zinc/27/68/42/220276842.db2.gz OTXJAWDMHUKOCI-RBSFLKMASA-N 1 1 369.490 3.196 40 0 FGABMO CC[NH+]1CCN([C@H](c2nnnn2C2CCCC2)c2ccccc2Cl)CC1 ZINC000020139121 220314655 /nfs/dbraw/zinc/31/46/55/220314655.db2.gz VZLTYYJLNPFAAJ-SFHVURJKSA-N 1 1 374.920 3.169 40 0 FGABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc(F)cc1C ZINC000065750476 221236583 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COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cc1 ZINC000096055445 222005591 /nfs/dbraw/zinc/00/55/91/222005591.db2.gz SAMBDSGCHVONHU-YSIASYRMSA-N 1 1 354.450 3.149 40 0 FGABMO c1coc(C[N@H+]2C[C@H]3CN([C@@H]4CCOC4)CC[C@]3(c3ccccc3)C2)c1 ZINC000096083305 222017322 /nfs/dbraw/zinc/01/73/22/222017322.db2.gz JYWYAYBTUYRDFJ-TUNNFDKTSA-N 1 1 352.478 3.144 40 0 FGABMO Cn1cncc1CN[C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096241468 222097298 /nfs/dbraw/zinc/09/72/98/222097298.db2.gz RIQQDUPCXCSBJT-OAQYLSRUSA-N 1 1 350.510 3.398 40 0 FGABMO O=C(c1ccc2[nH]ccc2c1)N1Cc2nc(C[NH+]3CCCCC3)oc2C1 ZINC000096260272 222103689 /nfs/dbraw/zinc/10/36/89/222103689.db2.gz JJGLMCATFZFDPM-UHFFFAOYSA-N 1 1 350.422 3.298 40 0 FGABMO CC[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096219357 222083595 /nfs/dbraw/zinc/08/35/95/222083595.db2.gz KBRHUKUDLUJCIW-PZJWPPBQSA-N 1 1 355.482 3.035 40 0 FGABMO CC(C)[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228741 222089608 /nfs/dbraw/zinc/08/96/08/222089608.db2.gz VQPFWFQWFVMVSF-NRFANRHFSA-N 1 1 355.482 3.131 40 0 FGABMO Cc1ccc(-c2nc(N3CC[NH+](C)CC3)nc3c2C(=O)c2ccccc2-3)cc1 ZINC000017075922 263372305 /nfs/dbraw/zinc/37/23/05/263372305.db2.gz ZUNYYYJHOMGQOX-UHFFFAOYSA-N 1 1 370.456 3.415 40 0 FGABMO CNC(=O)c1ccc(Oc2ccc3c(c2)CC[N@@H+](C2CCC2)CC3)nc1 ZINC000003961799 493860768 /nfs/dbraw/zinc/86/07/68/493860768.db2.gz WROHEWWOCPRMIA-UHFFFAOYSA-N 1 1 351.450 3.187 40 0 in-man FGABMO CC[C@@H](Oc1ccccc1C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000030869570 493910897 /nfs/dbraw/zinc/91/08/97/493910897.db2.gz ATQNMDLCYSTHGY-HXUWFJFHSA-N 1 1 352.478 3.497 40 0 FGABMO CC[C@@H](OC[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000034930261 494070814 /nfs/dbraw/zinc/07/08/14/494070814.db2.gz NBGUEXHMAOEBRK-SIKLNZKXSA-N 1 1 372.484 3.477 40 0 FGABMO Cc1cc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c(C)s1 ZINC000072339866 494153284 /nfs/dbraw/zinc/15/32/84/494153284.db2.gz JEOSKPDXZQPTMT-UHFFFAOYSA-N 1 1 352.463 3.481 40 0 FGABMO Cc1cccc(Cc2cccc([C@H]3CCC[N@H+](CC(=O)N(C)C)C3)n2)c1 ZINC000072349520 494156480 /nfs/dbraw/zinc/15/64/80/494156480.db2.gz DKCKQUYQGJFPHY-IBGZPJMESA-N 1 1 351.494 3.248 40 0 FGABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358877 494157174 /nfs/dbraw/zinc/15/71/74/494157174.db2.gz ZIGYRCIEHFJUDH-HNNXBMFYSA-N 1 1 358.873 3.065 40 0 FGABMO Cc1cc(-c2cnc(N3CC[N@H+]4CCC[C@@H]4C3)nc2-c2ccoc2C)on1 ZINC000012251524 494217269 /nfs/dbraw/zinc/21/72/69/494217269.db2.gz ONCNAOXJHBGGMA-OAHLLOKOSA-N 1 1 365.437 3.293 40 0 FGABMO CCCn1ncc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)c1C ZINC000043568713 494305590 /nfs/dbraw/zinc/30/55/90/494305590.db2.gz GNRKDDUBLFBBEB-VXKWHMMOSA-N 1 1 352.526 3.493 40 0 FGABMO Cc1c(NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(=O)n(-c2ccccc2)n1C ZINC000017610819 494415209 /nfs/dbraw/zinc/41/52/09/494415209.db2.gz ZFDYZXJCXKXKIW-HKUYNNGSSA-N 1 1 354.498 3.161 40 0 FGABMO CC[N@@H+](C)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)C2(C1)CCCCC2 ZINC000019704919 494455109 /nfs/dbraw/zinc/45/51/09/494455109.db2.gz DJUIPWZGTUVHCG-MRXNPFEDSA-N 1 1 354.491 3.243 40 0 FGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1cccc(Cl)c1 ZINC000047324217 494682424 /nfs/dbraw/zinc/68/24/24/494682424.db2.gz DZQRCQDUCNXMID-UHFFFAOYSA-N 1 1 359.857 3.494 40 0 FGABMO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)s1 ZINC000096049118 494999462 /nfs/dbraw/zinc/99/94/62/494999462.db2.gz CELNSCJKXLOZTF-IBGZPJMESA-N 1 1 360.479 3.157 40 0 FGABMO Cc1ccc(C[N@H+]2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)s1 ZINC000096049118 494999465 /nfs/dbraw/zinc/99/94/65/494999465.db2.gz CELNSCJKXLOZTF-IBGZPJMESA-N 1 1 360.479 3.157 40 0 FGABMO COc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cc1 ZINC000247870325 496923738 /nfs/dbraw/zinc/92/37/38/496923738.db2.gz CWMTYNYUDDAXTD-ILZDJORESA-N 1 1 374.506 3.348 40 0 FGABMO COc1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cc1 ZINC000247870325 496923741 /nfs/dbraw/zinc/92/37/41/496923741.db2.gz CWMTYNYUDDAXTD-ILZDJORESA-N 1 1 374.506 3.348 40 0 FGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000225804717 497076367 /nfs/dbraw/zinc/07/63/67/497076367.db2.gz UKPIUNFYXQDYSZ-UHFFFAOYSA-N 1 1 374.444 3.238 40 0 FGABMO c1ccc(C[N@@H+]2C[C@H]3CN(c4ccc(-c5ccccn5)nn4)C[C@H]3C2)cc1 ZINC000409430443 499596317 /nfs/dbraw/zinc/59/63/17/499596317.db2.gz VOGYHLIKGCYEQY-KDURUIRLSA-N 1 1 357.461 3.107 40 0 FGABMO Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000585109698 507574906 /nfs/dbraw/zinc/57/49/06/507574906.db2.gz IZQDRRNGTZHOBK-JAXLGGSGSA-N 1 1 372.472 3.120 40 0 FGABMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](OCC2CC2)[C@H](Cc2ccccc2)C1 ZINC000585113516 507576481 /nfs/dbraw/zinc/57/64/81/507576481.db2.gz WSQDILVRKISXMI-NHCUHLMSSA-N 1 1 358.526 3.213 40 0 FGABMO CC(=O)N[C@H]1CCC[N@H+](Cc2ccnn2C(C)C)[C@H]1Cc1ccccc1 ZINC000585269285 507582510 /nfs/dbraw/zinc/58/25/10/507582510.db2.gz OHDZZGFDNSNWSB-SFTDATJTSA-N 1 1 354.498 3.176 40 0 FGABMO c1cncc(-c2ccc3nc([C@H]4CC[N@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306134835 534504829 /nfs/dbraw/zinc/50/48/29/534504829.db2.gz NZJWUXJZYWXFAX-IBGZPJMESA-N 1 1 356.433 3.176 40 0 FGABMO CC1=C[C@@H](C)[C@H](C[N@@H+]2C[C@]3(F)CN(c4ccccn4)C(=O)[C@]3(F)C2)CC1 ZINC000306130653 528133428 /nfs/dbraw/zinc/13/34/28/528133428.db2.gz JMHKUIRWOUCULK-GIYDNNGJSA-N 1 1 361.436 3.153 40 0 FGABMO CC1=C[C@@H](C)[C@H](C[N@H+]2C[C@]3(F)CN(c4ccccn4)C(=O)[C@]3(F)C2)CC1 ZINC000306130653 528133431 /nfs/dbraw/zinc/13/34/31/528133431.db2.gz JMHKUIRWOUCULK-GIYDNNGJSA-N 1 1 361.436 3.153 40 0 FGABMO CCNC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1ccc3c(c1)CCC3)CCO2 ZINC000306137771 528181336 /nfs/dbraw/zinc/18/13/36/528181336.db2.gz RFRMKGWINBHNMU-UNMCSNQZSA-N 1 1 371.525 3.008 40 0 FGABMO CCNC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1ccc3c(c1)CCC3)CCO2 ZINC000306137771 528181339 /nfs/dbraw/zinc/18/13/39/528181339.db2.gz RFRMKGWINBHNMU-UNMCSNQZSA-N 1 1 371.525 3.008 40 0 FGABMO Cc1c[nH]c(-c2nccnc2C[C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257231686 223030798 /nfs/dbraw/zinc/03/07/98/223030798.db2.gz GHVWVXNZOVYODJ-AWEZNQCLSA-N 1 1 354.483 3.086 40 0 FGABMO Cc1c[nH]c(-c2nccnc2C[C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257231686 223030801 /nfs/dbraw/zinc/03/08/01/223030801.db2.gz GHVWVXNZOVYODJ-AWEZNQCLSA-N 1 1 354.483 3.086 40 0 FGABMO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000257338852 223071995 /nfs/dbraw/zinc/07/19/95/223071995.db2.gz YZEKWDMFBCKMSO-HNNXBMFYSA-N 1 1 373.522 3.214 40 0 FGABMO Cn1ccc(C(=O)N2CCC[C@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)n1 ZINC000306131829 223109167 /nfs/dbraw/zinc/10/91/67/223109167.db2.gz KQMDFIINFCPDLX-IBGZPJMESA-N 1 1 372.432 3.107 40 0 FGABMO c1cc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)ccn1 ZINC000306128784 223109229 /nfs/dbraw/zinc/10/92/29/223109229.db2.gz HKGSRXPVUUJLOE-LJQANCHMSA-N 1 1 356.433 3.176 40 0 FGABMO c1ccc(CN2C[C@@]3(CC[N@@H+](Cc4ccccn4)C3)c3ncccc32)nc1 ZINC000306140329 223113293 /nfs/dbraw/zinc/11/32/93/223113293.db2.gz UQAOFNYCKQFLOY-QFIPXVFZSA-N 1 1 357.461 3.036 40 0 FGABMO Cc1cccc(C[N@H+]2C[C@@H](c3cc(F)ccc3F)[C@]3(C2)CCCC(=O)N3)n1 ZINC000019236333 220242518 /nfs/dbraw/zinc/24/25/18/220242518.db2.gz AXFAYGSGNOLDIW-GHTZIAJQSA-N 1 1 371.431 3.307 40 0 FGABMO Cc1cnc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)o2)cn1 ZINC000019239173 220244016 /nfs/dbraw/zinc/24/40/16/220244016.db2.gz YOHHGFGKWPEJQC-ZDUSSCGKSA-N 1 1 357.364 3.103 40 0 FGABMO NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019348475 220251093 /nfs/dbraw/zinc/25/10/93/220251093.db2.gz SXFYWJASYVIFAB-HSZRJFAPSA-N 1 1 372.472 3.064 40 0 FGABMO OCC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(OCc2ccccc2)c1 ZINC000019372719 220253349 /nfs/dbraw/zinc/25/33/49/220253349.db2.gz GAGPURKYKQUPBC-YADHBBJMSA-N 1 1 366.505 3.297 40 0 FGABMO CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000019454360 220258027 /nfs/dbraw/zinc/25/80/27/220258027.db2.gz ZAADBPRNBSNVIS-OAHLLOKOSA-N 1 1 351.454 3.289 40 0 FGABMO CCC[C@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019501868 220264438 /nfs/dbraw/zinc/26/44/38/220264438.db2.gz MFJHMUHECPERHA-HXUWFJFHSA-N 1 1 368.529 3.447 40 0 FGABMO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3OC)C2)no1 ZINC000019503714 220265565 /nfs/dbraw/zinc/26/55/65/220265565.db2.gz RPLXQIVLTUTOSB-OAHLLOKOSA-N 1 1 357.454 3.203 40 0 FGABMO CCN1CC[N@@H+](CC2CC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527443 220268113 /nfs/dbraw/zinc/26/81/13/220268113.db2.gz IYDVYPGDFGOZTB-QFIPXVFZSA-N 1 1 363.505 3.481 40 0 FGABMO COc1ccccc1C(=O)N1C[C@@H]2CC[C@H](CC1=O)[N@H+]2Cc1ccccc1 ZINC000019568574 220274616 /nfs/dbraw/zinc/27/46/16/220274616.db2.gz PXURSLVMHIZNTH-MSOLQXFVSA-N 1 1 364.445 3.101 40 0 FGABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000019575926 220275173 /nfs/dbraw/zinc/27/51/73/220275173.db2.gz ZIENODVQWPXTOT-AEGPPILISA-N 1 1 364.848 3.378 40 0 FGABMO COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1Cn1nc(C)cc1C ZINC000019574398 220276529 /nfs/dbraw/zinc/27/65/29/220276529.db2.gz JRNXFJBOBMAFPX-RXVVDRJESA-N 1 1 368.525 3.225 40 0 FGABMO COCC[N@H+]1CC[C@@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 ZINC000019753144 220293371 /nfs/dbraw/zinc/29/33/71/220293371.db2.gz AXEIGCIWLMXHPX-CQSZACIVSA-N 1 1 374.872 3.126 40 0 FGABMO COc1cccc(Cn2cc(NC(=O)[C@H]3CC[N@@H+]3C3CCCCC3)cn2)c1 ZINC000019714021 220288838 /nfs/dbraw/zinc/28/88/38/220288838.db2.gz FSCYKXXVILVNRS-HXUWFJFHSA-N 1 1 368.481 3.286 40 0 FGABMO COc1cccc(Cn2cc(NC(=O)[C@H]3CC[N@H+]3C3CCCCC3)cn2)c1 ZINC000019714021 220288843 /nfs/dbraw/zinc/28/88/43/220288843.db2.gz FSCYKXXVILVNRS-HXUWFJFHSA-N 1 1 368.481 3.286 40 0 FGABMO CC1(C)Cc2cc(C[N@H+]3CC[C@@H](C(=O)Nc4ccccn4)C3)ccc2O1 ZINC000019747787 220294145 /nfs/dbraw/zinc/29/41/45/220294145.db2.gz XSSCQCHYQMFWOW-MRXNPFEDSA-N 1 1 351.450 3.256 40 0 FGABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)Cc1cccc(C)c1 ZINC000022513961 220388774 /nfs/dbraw/zinc/38/87/74/220388774.db2.gz JYGRWSVXDHFSOO-UHFFFAOYSA-N 1 1 355.463 3.109 40 0 FGABMO c1ccc(Cc2nnc([C@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C3)o2)cc1 ZINC000049169847 221021067 /nfs/dbraw/zinc/02/10/67/221021067.db2.gz ZLQAGTPDYZREIU-KRWDZBQOSA-N 1 1 363.417 3.379 40 0 biogenic,in-vitro FGABMO O=C(CCSc1ccccc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000058459025 221120510 /nfs/dbraw/zinc/12/05/10/221120510.db2.gz NPKJPLPVOFEVOB-UHFFFAOYSA-N 1 1 370.518 3.317 40 0 FGABMO COc1cccc(C[NH2+]C2(Cc3cc(-c4cccc(O)c4)on3)COC2)c1 ZINC000067898322 221303289 /nfs/dbraw/zinc/30/32/89/221303289.db2.gz YBSIATALNFBWEQ-UHFFFAOYSA-N 1 1 366.417 3.157 40 0 biogenic,in-vitro FGABMO Cc1cc(N2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)nc(C)[nH+]1 ZINC000257252019 132295379 /nfs/dbraw/zinc/29/53/79/132295379.db2.gz JTFSGMBKPCPJCO-SFHVURJKSA-N 1 1 362.437 3.205 40 0 FGABMO Cc1nc(C[NH+]2CCC3(CCN(C(=O)c4cscn4)C3)CC2)cs1 ZINC000096046542 221997840 /nfs/dbraw/zinc/99/78/40/221997840.db2.gz GADLMPSBPLPFCC-UHFFFAOYSA-N 1 1 362.524 3.036 40 0 FGABMO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC000096055180 222004584 /nfs/dbraw/zinc/00/45/84/222004584.db2.gz CPERSQQVLXVPMY-UYAOXDASSA-N 1 1 357.523 3.174 40 0 FGABMO Cc1ccc(C[N@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC000096055180 222004587 /nfs/dbraw/zinc/00/45/87/222004587.db2.gz CPERSQQVLXVPMY-UYAOXDASSA-N 1 1 357.523 3.174 40 0 FGABMO COc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)cc1 ZINC000096055333 222005500 /nfs/dbraw/zinc/00/55/00/222005500.db2.gz CWMTYNYUDDAXTD-IMFGXOCKSA-N 1 1 374.506 3.348 40 0 FGABMO COc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)cc1 ZINC000096055333 222005503 /nfs/dbraw/zinc/00/55/03/222005503.db2.gz CWMTYNYUDDAXTD-IMFGXOCKSA-N 1 1 374.506 3.348 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccc(C)n2)cc1 ZINC000096056638 222005709 /nfs/dbraw/zinc/00/57/09/222005709.db2.gz YAMVPMINLJYFRJ-NHCUHLMSSA-N 1 1 365.477 3.164 40 0 FGABMO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)o1 ZINC000096059246 222007435 /nfs/dbraw/zinc/00/74/35/222007435.db2.gz FUOOZNBIHQXRGU-KRWDZBQOSA-N 1 1 352.438 3.028 40 0 FGABMO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)o1 ZINC000096059246 222007438 /nfs/dbraw/zinc/00/74/38/222007438.db2.gz FUOOZNBIHQXRGU-KRWDZBQOSA-N 1 1 352.438 3.028 40 0 FGABMO c1csc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)n1 ZINC000096065111 222011159 /nfs/dbraw/zinc/01/11/59/222011159.db2.gz FDAYYKGHUTYEEY-IEBWSBKVSA-N 1 1 359.495 3.126 40 0 FGABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)n1 ZINC000096065111 222011164 /nfs/dbraw/zinc/01/11/64/222011164.db2.gz FDAYYKGHUTYEEY-IEBWSBKVSA-N 1 1 359.495 3.126 40 0 FGABMO CCS(=O)(=O)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071282 222012834 /nfs/dbraw/zinc/01/28/34/222012834.db2.gz HUCQJSKNIBZYOF-QGZVFWFLSA-N 1 1 356.919 3.120 40 0 FGABMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(=O)C4CC=CC4)CC3)C2)cc1 ZINC000096158891 222058028 /nfs/dbraw/zinc/05/80/28/222058028.db2.gz LTDAFSMKVSDKIC-UHFFFAOYSA-N 1 1 354.494 3.155 40 0 FGABMO Cc1noc(C)c1C[N@H+]1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC000096157638 222058155 /nfs/dbraw/zinc/05/81/55/222058155.db2.gz YSVCJVLSVSANPX-UHFFFAOYSA-N 1 1 359.495 3.481 40 0 FGABMO C[N@@H+](Cc1ccccn1)C1CC2(C1)CCN(C(=O)c1cscn1)CC2 ZINC000096159268 222058811 /nfs/dbraw/zinc/05/88/11/222058811.db2.gz ITIHQISWWLTUNA-UHFFFAOYSA-N 1 1 356.495 3.055 40 0 FGABMO COC[C@@H]1CCC2(CCN(C(=O)c3cccc(C)c3)CC2)[N@H+]1CC1CC1 ZINC000096208688 222078146 /nfs/dbraw/zinc/07/81/46/222078146.db2.gz NCTKKWDERZJAJI-FQEVSTJZSA-N 1 1 356.510 3.491 40 0 FGABMO Fc1ccccc1C[N@H+]1CC[C@H]2OCC[C@@]2(CCNc2ncccn2)C1 ZINC000096208473 222078802 /nfs/dbraw/zinc/07/88/02/222078802.db2.gz NUSWKANLKLJMNP-QUCCMNQESA-N 1 1 356.445 3.099 40 0 FGABMO c1cc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc2c1OCO2 ZINC000096215384 222079934 /nfs/dbraw/zinc/07/99/34/222079934.db2.gz NQYICAJOUNIOJP-JOCHJYFZSA-N 1 1 372.509 3.130 40 0 FGABMO c1ccc(CC[N@H+]2CCC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)cc1 ZINC000096217696 222082401 /nfs/dbraw/zinc/08/24/01/222082401.db2.gz QYEZXPLUNFGQSO-YADHBBJMSA-N 1 1 359.510 3.296 40 0 FGABMO Cc1cccc(CN2CC[C@@]3(CCC[N@@H+](Cc4ccsc4)C3)C2=O)n1 ZINC000096224713 222086852 /nfs/dbraw/zinc/08/68/52/222086852.db2.gz RFMNQDJSOCETHK-HXUWFJFHSA-N 1 1 355.507 3.466 40 0 FGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000010544108 263366278 /nfs/dbraw/zinc/36/62/78/263366278.db2.gz BZMMVTJDAWGHQE-GASCZTMLSA-N 1 1 358.935 3.127 40 0 FGABMO O=C(C[NH+]1CCCC1)Nc1ccc2c(c1)[C@@H]1Oc3ccccc3C[C@@H]1CO2 ZINC000001647768 493796980 /nfs/dbraw/zinc/79/69/80/493796980.db2.gz JTFHWXZWEXRSIO-OPAMFIHVSA-N 1 1 364.445 3.406 40 0 FGABMO CN1CCC([N@@H+](CCO)CC2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000036743643 494097841 /nfs/dbraw/zinc/09/78/41/494097841.db2.gz SDBFYLFXSWCFSB-UHFFFAOYSA-N 1 1 357.325 3.414 40 0 FGABMO [NH3+][C@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(Br)s1 ZINC000072228204 494145237 /nfs/dbraw/zinc/14/52/37/494145237.db2.gz GFOIUIWCUAXIQX-CHWSQXEVSA-N 1 1 355.232 3.061 40 0 FGABMO Cc1cccc(Nc2cncc([C@H]3CCC[N@H+](C4CCOCC4)C3)n2)n1 ZINC000072354357 494155797 /nfs/dbraw/zinc/15/57/97/494155797.db2.gz ZXASALPOVCEOBV-INIZCTEOSA-N 1 1 353.470 3.282 40 0 FGABMO O=C(C[N@@H+]1CCC[C@@H](c2nccnc2-c2ccccc2F)C1)N1CCCC1 ZINC000072358547 494156722 /nfs/dbraw/zinc/15/67/22/494156722.db2.gz MKWFUJDVGPWFKI-MRXNPFEDSA-N 1 1 368.456 3.085 40 0 FGABMO O=c1cc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392897 494163367 /nfs/dbraw/zinc/16/33/67/494163367.db2.gz FTHYFVVABNRIAZ-QGZVFWFLSA-N 1 1 364.424 3.351 40 0 FGABMO O=c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393040 494163715 /nfs/dbraw/zinc/16/37/15/494163715.db2.gz VKIBVPZSHLJXQV-QGZVFWFLSA-N 1 1 364.424 3.351 40 0 FGABMO C[C@@H]([NH3+])c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1 ZINC000091301795 494578347 /nfs/dbraw/zinc/57/83/47/494578347.db2.gz OVDOTYJKKSGNGE-RXMQYKEDSA-N 1 1 350.753 3.482 40 0 FGABMO c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)nc1 ZINC000107712412 494589394 /nfs/dbraw/zinc/58/93/94/494589394.db2.gz SQNPUZHTVDNRGL-RTWAWAEBSA-N 1 1 353.466 3.065 40 0 FGABMO Fc1cccc(C[N@H+]2CCC[C@@]3(C[C@@H](CNc4ncccn4)CO3)C2)c1 ZINC000107790879 494600163 /nfs/dbraw/zinc/60/01/63/494600163.db2.gz GTDIKBTVPGVICA-FXAWDEMLSA-N 1 1 356.445 3.099 40 0 FGABMO c1csc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)n1 ZINC000096040181 494997470 /nfs/dbraw/zinc/99/74/70/494997470.db2.gz KUYKBNFQEURMOI-IEBWSBKVSA-N 1 1 359.495 3.126 40 0 FGABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)n1 ZINC000096040181 494997476 /nfs/dbraw/zinc/99/74/76/494997476.db2.gz KUYKBNFQEURMOI-IEBWSBKVSA-N 1 1 359.495 3.126 40 0 FGABMO c1nc2c(n1CC1CC1)[C@H](COCC1CCOCC1)C[N@H+](C1CCC1)C2 ZINC000096045172 494997969 /nfs/dbraw/zinc/99/79/69/494997969.db2.gz HJLMQCOPRUSYRI-SFHVURJKSA-N 1 1 359.514 3.188 40 0 FGABMO c1cc2c(cccc2C[NH+]2CC3(C2)OCC[C@H]3COCc2ccccn2)[nH]1 ZINC000247839173 496920313 /nfs/dbraw/zinc/92/03/13/496920313.db2.gz KHPLPCGSOSJGKX-SFHVURJKSA-N 1 1 363.461 3.371 40 0 FGABMO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000224586613 497051057 /nfs/dbraw/zinc/05/10/57/497051057.db2.gz SKCCCGYFZFLVBZ-UHFFFAOYSA-N 1 1 368.477 3.156 40 0 FGABMO O=C(Cc1cccc(Br)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225613745 497069942 /nfs/dbraw/zinc/06/99/42/497069942.db2.gz YPYUTVYHTVRVJM-UHFFFAOYSA-N 1 1 373.294 3.336 40 0 FGABMO Cc1noc(C)c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC000252013875 497295049 /nfs/dbraw/zinc/29/50/49/497295049.db2.gz UOUGWAPGLGPUMC-ICSRJNTNSA-N 1 1 357.454 3.137 40 0 FGABMO Cc1ccsc1C[NH+]1CC2(C1)OCC[C@@H]2COCC1CCOCC1 ZINC000253598920 497344365 /nfs/dbraw/zinc/34/43/65/497344365.db2.gz IXIFTVLYBULSQB-QGZVFWFLSA-N 1 1 351.512 3.091 40 0 FGABMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1ccccc1)c1ccccc1 ZINC000408573391 499592488 /nfs/dbraw/zinc/59/24/88/499592488.db2.gz DPEJRNGMWZOTMF-DYTRJAOYSA-N 1 1 350.462 3.066 40 0 FGABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408605665 499592859 /nfs/dbraw/zinc/59/28/59/499592859.db2.gz GJHDFSKCWBYSTN-HXUWFJFHSA-N 1 1 370.518 3.206 40 0 FGABMO COCC[N@H+]1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000585113210 507576436 /nfs/dbraw/zinc/57/64/36/507576436.db2.gz GXHBDMVQHXBQNJ-HXUWFJFHSA-N 1 1 362.489 3.108 40 0 FGABMO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020489625 521923376 /nfs/dbraw/zinc/92/33/76/521923376.db2.gz XLFPAAVNWQATEX-SFHVURJKSA-N 1 1 352.478 3.361 40 0 FGABMO O=C(NCc1ccccc1)N1CC[C@H]2CC[N@@H+](Cc3ccccn3)CC[C@@H]21 ZINC000306138902 534676051 /nfs/dbraw/zinc/67/60/51/534676051.db2.gz SKLJXMCNLZCWGI-CTNGQTDRSA-N 1 1 364.493 3.278 40 0 FGABMO Cc1ncc(CN(C)C)c([C@@H]2CCC[N@H+]2CCOc2ccc(F)cc2)n1 ZINC000257331960 534734435 /nfs/dbraw/zinc/73/44/35/534734435.db2.gz XVCGATLBJWXVKM-IBGZPJMESA-N 1 1 358.461 3.202 40 0 FGABMO COc1ccc(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1OC ZINC000020105263 523904092 /nfs/dbraw/zinc/90/40/92/523904092.db2.gz LBHSIILVLIIAFE-UHFFFAOYSA-N 1 1 365.433 3.057 40 0 FGABMO Cc1n[nH]cc1C[N@@H+]1CCCC[C@H]1c1cc(Nc2ncccn2)nc(C)n1 ZINC000257277258 534853204 /nfs/dbraw/zinc/85/32/04/534853204.db2.gz NXCKNJISGXYTQU-KRWDZBQOSA-N 1 1 364.457 3.077 40 0 FGABMO Cc1n[nH]cc1C[N@H+]1CCCC[C@H]1c1cc(Nc2ncccn2)nc(C)n1 ZINC000257277258 534853207 /nfs/dbraw/zinc/85/32/07/534853207.db2.gz NXCKNJISGXYTQU-KRWDZBQOSA-N 1 1 364.457 3.077 40 0 FGABMO CCn1ccnc1C[N@H+]1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257282607 529569422 /nfs/dbraw/zinc/56/94/22/529569422.db2.gz OUMDAGXZAMSHRA-QYZOEREBSA-N 1 1 352.482 3.277 40 0 FGABMO CCn1ccnc1C[N@@H+]1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257282607 529569424 /nfs/dbraw/zinc/56/94/24/529569424.db2.gz OUMDAGXZAMSHRA-QYZOEREBSA-N 1 1 352.482 3.277 40 0 FGABMO CN1CCN(Cc2ccco2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306131233 529774792 /nfs/dbraw/zinc/77/47/92/529774792.db2.gz JZAWEOWTVIVFPU-NRFANRHFSA-N 1 1 373.460 3.478 40 0 FGABMO CN(c1cccnn1)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)C[C@H]12 ZINC000257296549 530037630 /nfs/dbraw/zinc/03/76/30/530037630.db2.gz RDHRPMPGNQNDQY-SLYNCCJLSA-N 1 1 359.477 3.372 40 0 FGABMO COc1cccnc1NC(=S)NCc1ccccc1-n1cc[nH+]c1C ZINC000225452040 222842251 /nfs/dbraw/zinc/84/22/51/222842251.db2.gz RRRRHZKJHVBXEV-UHFFFAOYSA-N 1 1 353.451 3.071 40 0 FGABMO Cc1ncsc1C[N@H+]1CCC[C@H](c2cnc(Nc3cnccn3)cn2)C1 ZINC000257256845 223039962 /nfs/dbraw/zinc/03/99/62/223039962.db2.gz KNCNYDUBUCIKQL-AWEZNQCLSA-N 1 1 367.482 3.155 40 0 FGABMO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2cncc(-c3nccn3C)n2)C1 ZINC000257273062 223044932 /nfs/dbraw/zinc/04/49/32/223044932.db2.gz NFCKEUYZRUIUNB-CQSZACIVSA-N 1 1 354.483 3.022 40 0 FGABMO Cn1cc(C[N@H+]2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)cn1 ZINC000257298266 223057069 /nfs/dbraw/zinc/05/70/69/223057069.db2.gz RKYVCALRGRIEIP-LFGUQSLTSA-N 1 1 353.466 3.312 40 0 FGABMO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000257338853 223072162 /nfs/dbraw/zinc/07/21/62/223072162.db2.gz YZEKWDMFBCKMSO-OAHLLOKOSA-N 1 1 373.522 3.214 40 0 FGABMO c1csc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccnc4)C2)OC3)c1 ZINC000306127502 223107782 /nfs/dbraw/zinc/10/77/82/223107782.db2.gz GAEMBYISXYIDGC-IBGZPJMESA-N 1 1 352.463 3.182 40 0 FGABMO CC(C)[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000015674276 220159805 /nfs/dbraw/zinc/15/98/05/220159805.db2.gz QVGJFCYPJQLPBX-YPMHNXCESA-N 1 1 357.332 3.151 40 0 biogenic,in-vitro FGABMO CC(C)[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000015674276 220159809 /nfs/dbraw/zinc/15/98/09/220159809.db2.gz QVGJFCYPJQLPBX-YPMHNXCESA-N 1 1 357.332 3.151 40 0 biogenic,in-vitro FGABMO Cc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019209770 220238828 /nfs/dbraw/zinc/23/88/28/220238828.db2.gz LOAVMWWRQVILCB-HXUWFJFHSA-N 1 1 364.493 3.069 40 0 FGABMO Cc1ccc([C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]2c2csnn2)cc1 ZINC000019211979 220239731 /nfs/dbraw/zinc/23/97/31/220239731.db2.gz XQQVZOKUDQGCSQ-ZWKOTPCHSA-N 1 1 370.522 3.042 40 0 FGABMO O=c1cc([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)nc(-c2ccncc2)[nH]1 ZINC000019292845 220247147 /nfs/dbraw/zinc/24/71/47/220247147.db2.gz XENLCXATLAKEKJ-HNNXBMFYSA-N 1 1 368.387 3.100 40 0 FGABMO O=c1cc(-c2ccccn2)nc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)[nH]1 ZINC000019349023 220253786 /nfs/dbraw/zinc/25/37/86/220253786.db2.gz FOUBADLFUPNBHV-INIZCTEOSA-N 1 1 364.424 3.351 40 0 FGABMO O=C(c1cc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)no1)N1CCCC1 ZINC000019371273 220253431 /nfs/dbraw/zinc/25/34/31/220253431.db2.gz LGEDQPDCXHWCKS-SFHVURJKSA-N 1 1 353.466 3.333 40 0 FGABMO O=C(NC1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1C2=O ZINC000019372625 220253965 /nfs/dbraw/zinc/25/39/65/220253965.db2.gz JLJOYKTVVNZZFM-XUZZJYLKSA-N 1 1 374.484 3.213 40 0 FGABMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000019500998 220262989 /nfs/dbraw/zinc/26/29/89/220262989.db2.gz CHIXBDMHCOEFCG-OAHLLOKOSA-N 1 1 360.479 3.130 40 0 FGABMO C[C@H]1Cc2cc(CC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)ccc2O1 ZINC000019498094 220263093 /nfs/dbraw/zinc/26/30/93/220263093.db2.gz MRUKVWYIFDOPDI-OXJNMPFZSA-N 1 1 350.462 3.068 40 0 FGABMO C[C@H]1Cc2cc(CC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)ccc2O1 ZINC000019498094 220263098 /nfs/dbraw/zinc/26/30/98/220263098.db2.gz MRUKVWYIFDOPDI-OXJNMPFZSA-N 1 1 350.462 3.068 40 0 FGABMO CCn1ncc(-c2csc(NC(=O)CCCn3cc[nH+]c3C)n2)c1C ZINC000019524074 220267001 /nfs/dbraw/zinc/26/70/01/220267001.db2.gz NDTWVEJSEHQCRS-UHFFFAOYSA-N 1 1 358.471 3.259 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)N4CCCC4)on3)C2)cc1 ZINC000019555158 220270768 /nfs/dbraw/zinc/27/07/68/220270768.db2.gz NDFNRWOTAPRCRP-QGZVFWFLSA-N 1 1 369.465 3.299 40 0 FGABMO COc1cccc([C@H]2CCC[N@H+]2Cc2cnc(N3CCOCC3)s2)c1 ZINC000019715684 220290487 /nfs/dbraw/zinc/29/04/87/220290487.db2.gz DSRUWMSJEAWZMP-GOSISDBHSA-N 1 1 359.495 3.325 40 0 FGABMO Cc1nc(N(C)C)cc(CC2CCN(C(=O)Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000019758431 220294837 /nfs/dbraw/zinc/29/48/37/220294837.db2.gz OZHAHAIUPZLTCJ-UHFFFAOYSA-N 1 1 370.472 3.014 40 0 FGABMO Cn1cc(C[N@H+]2CC[C@H](C(=O)Nc3ccccn3)C2)c2cc(F)ccc21 ZINC000019747811 220293834 /nfs/dbraw/zinc/29/38/34/220293834.db2.gz LSSPRMSZXMBMPR-AWEZNQCLSA-N 1 1 352.413 3.173 40 0 FGABMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2OC(=O)[C@](O)(c1ccccc1)C1CCCC1 ZINC000021984626 220372815 /nfs/dbraw/zinc/37/28/15/220372815.db2.gz ROZOEEGFKDFEFP-JLPZCGHASA-N 1 1 357.494 3.338 40 0 FGABMO COc1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3cncc(N(C)C)n3)cc2c1 ZINC000257261265 533234408 /nfs/dbraw/zinc/23/44/08/533234408.db2.gz LGLZYQWWMRCUSU-IBGZPJMESA-N 1 1 351.454 3.370 40 0 FGABMO COc1ccc2[nH]c(C[N@H+]3CCC[C@H]3c3cncc(N(C)C)n3)cc2c1 ZINC000257261265 533234416 /nfs/dbraw/zinc/23/44/16/533234416.db2.gz LGLZYQWWMRCUSU-IBGZPJMESA-N 1 1 351.454 3.370 40 0 FGABMO Cc1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)nc1 ZINC000104950168 132238796 /nfs/dbraw/zinc/23/87/96/132238796.db2.gz RMNRYLLWPSADAR-INIZCTEOSA-N 1 1 358.511 3.106 40 0 FGABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000096054570 222003336 /nfs/dbraw/zinc/00/33/36/222003336.db2.gz OJGLYWYCPRXLMP-FFZOFVMBSA-N 1 1 374.506 3.201 40 0 FGABMO Cc1ccc(CN2CC[N@H+]3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)s1 ZINC000096055089 222004548 /nfs/dbraw/zinc/00/45/48/222004548.db2.gz URJOYYSFRMYGFF-OALUTQOASA-N 1 1 357.523 3.235 40 0 FGABMO Cc1ccc(C[N@@H+]2CCN3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)s1 ZINC000096055089 222004551 /nfs/dbraw/zinc/00/45/51/222004551.db2.gz URJOYYSFRMYGFF-OALUTQOASA-N 1 1 357.523 3.235 40 0 FGABMO Cc1ccc(C[N@H+]2CCN3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)s1 ZINC000096055089 222004554 /nfs/dbraw/zinc/00/45/54/222004554.db2.gz URJOYYSFRMYGFF-OALUTQOASA-N 1 1 357.523 3.235 40 0 FGABMO COc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC000096057986 222005291 /nfs/dbraw/zinc/00/52/91/222005291.db2.gz BDZCCIAIKGOXHS-PWRODBHTSA-N 1 1 354.450 3.039 40 0 FGABMO COc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC000096057986 222005296 /nfs/dbraw/zinc/00/52/96/222005296.db2.gz BDZCCIAIKGOXHS-PWRODBHTSA-N 1 1 354.450 3.039 40 0 FGABMO CC[N@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)c3csc4ccccc34)C2)C1 ZINC000096209886 222080766 /nfs/dbraw/zinc/08/07/66/222080766.db2.gz QCPKBOPSPOUPBV-MGPUTAFESA-N 1 1 358.507 3.332 40 0 FGABMO CC[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096216927 222081577 /nfs/dbraw/zinc/08/15/77/222081577.db2.gz YLDNGBSMBWXHSJ-TZIWHRDSSA-N 1 1 355.482 3.035 40 0 FGABMO CC[N@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)c3cc4ccccc4s3)C2)C1 ZINC000096217849 222082394 /nfs/dbraw/zinc/08/23/94/222082394.db2.gz XWAXOYLTKFHWAK-OXJNMPFZSA-N 1 1 358.507 3.332 40 0 FGABMO CC(=O)Nc1nc(C)c(-c2cnc([C@@H]3CCC[N@H+](C(C)C)C3)cn2)s1 ZINC000257320164 263464053 /nfs/dbraw/zinc/46/40/53/263464053.db2.gz VVPJLWOEMAISSZ-CQSZACIVSA-N 1 1 359.499 3.455 40 0 FGABMO Nc1ncncc1-c1noc([C@@H]2CCC[N@@H+]2Cc2cc3ccccc3o2)n1 ZINC000035426062 494076393 /nfs/dbraw/zinc/07/63/93/494076393.db2.gz XJSNECIHUWQIOI-HNNXBMFYSA-N 1 1 362.393 3.192 40 0 biogenic,in-vitro FGABMO Nc1ncncc1-c1noc([C@@H]2CCC[N@H+]2Cc2cc3ccccc3o2)n1 ZINC000035426062 494076395 /nfs/dbraw/zinc/07/63/95/494076395.db2.gz XJSNECIHUWQIOI-HNNXBMFYSA-N 1 1 362.393 3.192 40 0 biogenic,in-vitro FGABMO COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000036741289 494097673 /nfs/dbraw/zinc/09/76/73/494097673.db2.gz HKKVYNZWJTVDEZ-ICSRJNTNSA-N 1 1 361.869 3.366 40 0 FGABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@H](NC(C)=O)c2nccs2)C1 ZINC000072337741 494153729 /nfs/dbraw/zinc/15/37/29/494153729.db2.gz MXVZUPFHVQXZCO-WMZOPIPTSA-N 1 1 359.495 3.241 40 0 FGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4F)C3)cc(N)n2n1 ZINC000072339780 494153810 /nfs/dbraw/zinc/15/38/10/494153810.db2.gz KCCGUMXYTHYXNQ-CQSZACIVSA-N 1 1 357.408 3.278 40 0 FGABMO Cc1nn2c(nc(C)cc2NCCC[NH+]2CCOCC2)c1-c1cccs1 ZINC000072341684 494154522 /nfs/dbraw/zinc/15/45/22/494154522.db2.gz ULZSMZOQHCPGHU-UHFFFAOYSA-N 1 1 371.510 3.209 40 0 FGABMO O=C(C[N@@H+]1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1)N1CCCC1 ZINC000072358546 494156826 /nfs/dbraw/zinc/15/68/26/494156826.db2.gz CYHQKADEFLIKSU-KRWDZBQOSA-N 1 1 368.456 3.085 40 0 FGABMO O=C(C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1)N1CCCC1 ZINC000072358549 494157454 /nfs/dbraw/zinc/15/74/54/494157454.db2.gz SZACVRZQIYUNGL-QGZVFWFLSA-N 1 1 368.456 3.085 40 0 FGABMO Cc1ncccc1Oc1nccnc1C1CC[NH+](Cc2cncn2C)CC1 ZINC000072384430 494162210 /nfs/dbraw/zinc/16/22/10/494162210.db2.gz VNZHYZLBENPSAA-UHFFFAOYSA-N 1 1 364.453 3.085 40 0 FGABMO CC(C)C(=O)N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000012089232 494204066 /nfs/dbraw/zinc/20/40/66/494204066.db2.gz KWTNRZXSRYNGQH-IRXDYDNUSA-N 1 1 358.511 3.264 40 0 FGABMO COc1ccc2c(c1)c(C[N@H+]1CC[C@H](c3ccccc3)C1)cn2CC(N)=O ZINC000012363919 494227081 /nfs/dbraw/zinc/22/70/81/494227081.db2.gz NOPUAROMQXEKLT-KRWDZBQOSA-N 1 1 363.461 3.125 40 0 FGABMO Cn1cc(C[N@H+]2CC[C@@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000019704721 494455414 /nfs/dbraw/zinc/45/54/14/494455414.db2.gz HDOTWOAFIGRKQZ-OAHLLOKOSA-N 1 1 371.872 3.365 40 0 FGABMO Cn1cc(C[N@@H+]2CC[C@@H](c3cc(COc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000019704721 494455419 /nfs/dbraw/zinc/45/54/19/494455419.db2.gz HDOTWOAFIGRKQZ-OAHLLOKOSA-N 1 1 371.872 3.365 40 0 FGABMO Cn1cc(C[N@H+]2CC[C@@H](c3cc(COc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000019704721 494455424 /nfs/dbraw/zinc/45/54/24/494455424.db2.gz HDOTWOAFIGRKQZ-OAHLLOKOSA-N 1 1 371.872 3.365 40 0 FGABMO CN(C)c1nc2ccccc2cc1C[N@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2C ZINC000019713182 494456166 /nfs/dbraw/zinc/45/61/66/494456166.db2.gz XCJNTSMVEUEODY-VQTJNVASSA-N 1 1 366.509 3.276 40 0 FGABMO O[C@H](COc1ccccc1Cl)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000026919764 494845358 /nfs/dbraw/zinc/84/53/58/494845358.db2.gz UHVMAUAKTRMDPN-KRWDZBQOSA-N 1 1 364.848 3.041 40 0 FGABMO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3cccs3)C[C@H]2O1 ZINC000096042851 494998922 /nfs/dbraw/zinc/99/89/22/494998922.db2.gz PCIRLLXKUFGVQG-BMGDILEWSA-N 1 1 357.479 3.070 40 0 FGABMO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096048660 494999392 /nfs/dbraw/zinc/99/93/92/494999392.db2.gz ISJKJHWKKYOUPI-NRFANRHFSA-N 1 1 353.441 3.235 40 0 FGABMO Fc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)cc1 ZINC000096055301 494999962 /nfs/dbraw/zinc/99/99/62/494999962.db2.gz OFLAIGUBHYFYDZ-HMXCVIKNSA-N 1 1 356.441 3.417 40 0 FGABMO Fc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)cc1 ZINC000096055301 494999967 /nfs/dbraw/zinc/99/99/67/494999967.db2.gz OFLAIGUBHYFYDZ-HMXCVIKNSA-N 1 1 356.441 3.417 40 0 FGABMO Cc1cccc(CO[C@@H]2Cn3cccc3C[N@@H+](CC3CCOCC3)C2)n1 ZINC000247873025 496923793 /nfs/dbraw/zinc/92/37/93/496923793.db2.gz MFFVHQTVKIVILS-NRFANRHFSA-N 1 1 355.482 3.019 40 0 FGABMO O=C([C@H]1C[N@H+](Cc2cccc3ccccc32)Cc2cncn21)N1CCCC1 ZINC000247884149 496924495 /nfs/dbraw/zinc/92/44/95/496924495.db2.gz WMRCLKWGJZEWSG-OAQYLSRUSA-N 1 1 360.461 3.216 40 0 FGABMO O=C([C@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2cncn21)N1CCCC1 ZINC000247884149 496924501 /nfs/dbraw/zinc/92/45/01/496924501.db2.gz WMRCLKWGJZEWSG-OAQYLSRUSA-N 1 1 360.461 3.216 40 0 FGABMO COc1cccc(C[N@H+]2C[C@@H]3OC[C@H](CCOCc4ccccn4)[C@@H]3C2)c1 ZINC000247882521 496924854 /nfs/dbraw/zinc/92/48/54/496924854.db2.gz JSSMHUMZIMJTAK-NYVOZVTQSA-N 1 1 368.477 3.144 40 0 FGABMO COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@@](O)(c3ncccc3C)[C@H]2C1 ZINC000247942427 496930630 /nfs/dbraw/zinc/93/06/30/496930630.db2.gz VITLRXRNPGWSJZ-JLMWRMLUSA-N 1 1 352.478 3.437 40 0 FGABMO CC(C)n1cc(C[NH+]2CCC3(C[N@@H+](C)C[C@H]3COCC3CC3)CC2)cn1 ZINC000248163022 496966433 /nfs/dbraw/zinc/96/64/33/496966433.db2.gz YNYXYIKMJOTZQA-FQEVSTJZSA-N 1 1 360.546 3.034 40 0 FGABMO CC(C)n1cc(CN2CCC3(C[N@H+](C)C[C@H]3COCC3CC3)CC2)cn1 ZINC000248163022 496966441 /nfs/dbraw/zinc/96/64/41/496966441.db2.gz YNYXYIKMJOTZQA-FQEVSTJZSA-N 1 1 360.546 3.034 40 0 FGABMO CC(C)n1cc(CN2CCC3(C[N@@H+](C)C[C@H]3COCC3CC3)CC2)cn1 ZINC000248163022 496966448 /nfs/dbraw/zinc/96/64/48/496966448.db2.gz YNYXYIKMJOTZQA-FQEVSTJZSA-N 1 1 360.546 3.034 40 0 FGABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000248204405 496972741 /nfs/dbraw/zinc/97/27/41/496972741.db2.gz ACSOWUPGCPNIGC-LMMKCTJWSA-N 1 1 359.514 3.034 40 0 FGABMO CCOC[C@]1([NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218556451 497003401 /nfs/dbraw/zinc/00/34/01/497003401.db2.gz GHGMPYFXKUZKOP-SQNIBIBYSA-N 1 1 365.882 3.014 40 0 FGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C)c1C ZINC000224544970 497049938 /nfs/dbraw/zinc/04/99/38/497049938.db2.gz CUAGSIOKBGBQQB-KRWDZBQOSA-N 1 1 368.543 3.245 40 0 FGABMO Cc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000224586893 497050647 /nfs/dbraw/zinc/05/06/47/497050647.db2.gz HIETZXKQPPDFHQ-UHFFFAOYSA-N 1 1 366.505 3.385 40 0 FGABMO CC(C)Oc1ccccc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224742942 497053126 /nfs/dbraw/zinc/05/31/26/497053126.db2.gz IEPBDJBXGCZNAZ-UHFFFAOYSA-N 1 1 368.477 3.236 40 0 FGABMO CCSc1nnc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)s1 ZINC000225300926 497059576 /nfs/dbraw/zinc/05/95/76/497059576.db2.gz DMWLCFKQLFJBQG-UHFFFAOYSA-N 1 1 359.480 3.456 40 0 FGABMO COc1cc2c(cc1OC)[C@H](C)N([C@H]1CCC[N@@H+](C[C@H]3CCOC3)C1)CC2 ZINC000253588976 497344112 /nfs/dbraw/zinc/34/41/12/497344112.db2.gz CTQLUGWXNRBAFM-SCTDSRPQSA-N 1 1 374.525 3.124 40 0 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OC[C@H]1CCCN(c2ncc3c(n2)C[C@@H]2CC[C@H]3[N@@H+]2Cc2ccsc2)C1 ZINC000072327872 136144314 /nfs/dbraw/zinc/14/43/14/136144314.db2.gz WYXAVUJEDBXGCQ-URLQWDBASA-N 1 1 370.522 3.009 40 0 FGABMO COc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4csc(C)n4)C3)C2=O)c1 ZINC000096050662 222000475 /nfs/dbraw/zinc/00/04/75/222000475.db2.gz GIWWFECBERPMBU-HXUWFJFHSA-N 1 1 371.506 3.085 40 0 FGABMO Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000030376675 493889257 /nfs/dbraw/zinc/88/92/57/493889257.db2.gz BVUYVKWAIGPODI-QGZVFWFLSA-N 1 1 360.885 3.210 40 0 FGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4ccc(F)c(F)c4)C3)cc(N)n2n1 ZINC000072339782 494153500 /nfs/dbraw/zinc/15/35/00/494153500.db2.gz CGANWPPWLRNVSL-CQSZACIVSA-N 1 1 357.408 3.278 40 0 FGABMO COc1cc2c(cc1OC)[C@@H](C)N([C@@H]1CCC[N@@H+](C[C@@H]3CCOC3)C1)CC2 ZINC000072342500 494154605 /nfs/dbraw/zinc/15/46/05/494154605.db2.gz CTQLUGWXNRBAFM-ZIFCJYIRSA-N 1 1 374.525 3.124 40 0 FGABMO COc1cccc(C[N@@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1OC ZINC000072343258 494154697 /nfs/dbraw/zinc/15/46/97/494154697.db2.gz FISKFECQXYAMAV-IEBWSBKVSA-N 1 1 352.434 3.247 40 0 FGABMO COc1cccc(C[N@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1OC ZINC000072343258 494154700 /nfs/dbraw/zinc/15/47/00/494154700.db2.gz FISKFECQXYAMAV-IEBWSBKVSA-N 1 1 352.434 3.247 40 0 FGABMO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000072358584 494157283 /nfs/dbraw/zinc/15/72/83/494157283.db2.gz AWDTVYYWYIEXNU-IBGZPJMESA-N 1 1 373.460 3.017 40 0 FGABMO COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3CC[NH+](C)C)n[nH]2)cc1 ZINC000072391806 494161841 /nfs/dbraw/zinc/16/18/41/494161841.db2.gz IURAGYOURRYKCM-INIZCTEOSA-N 1 1 356.470 3.032 40 0 FGABMO Fc1ccc(-c2cc(C[N@H+]3CCc4ccccc4C3)c3nnnn3c2)cc1 ZINC000072392334 494162019 /nfs/dbraw/zinc/16/20/19/494162019.db2.gz MQNURPBEFKDVIV-UHFFFAOYSA-N 1 1 359.408 3.489 40 0 FGABMO CC[C@H]1c2cccn2CC[N@H+]1Cc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000012188608 494212852 /nfs/dbraw/zinc/21/28/52/494212852.db2.gz AERUZDCWSOLEQU-FQEVSTJZSA-N 1 1 367.493 3.456 40 0 FGABMO CC[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000012188608 494212856 /nfs/dbraw/zinc/21/28/56/494212856.db2.gz AERUZDCWSOLEQU-FQEVSTJZSA-N 1 1 367.493 3.456 40 0 FGABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000018217406 494429644 /nfs/dbraw/zinc/42/96/44/494429644.db2.gz GTRAPLVHDNYRJO-UHFFFAOYSA-N 1 1 350.418 3.195 40 0 FGABMO COc1ccccc1C[N@H+]1CCC[C@H](c2cc(N)n3nc(C)cc3n2)C1 ZINC000019129335 494436105 /nfs/dbraw/zinc/43/61/05/494436105.db2.gz NGJINJLYZJVVAZ-HNNXBMFYSA-N 1 1 351.454 3.008 40 0 FGABMO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4ccc5c(c4)C[C@@H](C)O5)C[C@@H]32)nc1 ZINC000019216127 494437875 /nfs/dbraw/zinc/43/78/75/494437875.db2.gz YCKBCEYCRKRPFO-KALSDKHNSA-N 1 1 364.489 3.443 40 0 FGABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2cccc(C)c2)n1 ZINC000019234932 494439314 /nfs/dbraw/zinc/43/93/14/494439314.db2.gz WURBKRLTTFIDPC-HXUWFJFHSA-N 1 1 353.466 3.465 40 0 FGABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000019290159 494440867 /nfs/dbraw/zinc/44/08/67/494440867.db2.gz KINPUSIBTDTGEC-QGZVFWFLSA-N 1 1 366.513 3.067 40 0 FGABMO Cn1nccc1C(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2C ZINC000019289143 494441153 /nfs/dbraw/zinc/44/11/53/494441153.db2.gz IGZYRSFNMGYCKH-NSHGMRRFSA-N 1 1 370.472 3.042 40 0 FGABMO Fc1cccc(C[NH+]2CCC(c3nnc(-c4cnccn4)o3)CC2)c1F ZINC000019292721 494441166 /nfs/dbraw/zinc/44/11/66/494441166.db2.gz DGDWUKBZZPEXFG-UHFFFAOYSA-N 1 1 357.364 3.184 40 0 FGABMO O[C@H](C[NH+]1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)CCO2 ZINC000019349910 494444066 /nfs/dbraw/zinc/44/40/66/494444066.db2.gz VGXRBXQZUHOGGC-LJQANCHMSA-N 1 1 358.869 3.131 40 0 FGABMO CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 ZINC000019454368 494445497 /nfs/dbraw/zinc/44/54/97/494445497.db2.gz MDPUJGHOIHBWLX-QGZVFWFLSA-N 1 1 364.453 3.155 40 0 FGABMO C[C@H]1Cc2cc(CCC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)ccc2O1 ZINC000019498126 494446627 /nfs/dbraw/zinc/44/66/27/494446627.db2.gz WJXSYKGGGGYWMU-LAUBAEHRSA-N 1 1 364.489 3.458 40 0 FGABMO C[C@H]1Cc2cc(CCC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)ccc2O1 ZINC000019498126 494446631 /nfs/dbraw/zinc/44/66/31/494446631.db2.gz WJXSYKGGGGYWMU-LAUBAEHRSA-N 1 1 364.489 3.458 40 0 FGABMO COCCN1CC[NH+](Cc2c3cccnc3[nH]c2-c2cccs2)CC1 ZINC000019593424 494452334 /nfs/dbraw/zinc/45/23/34/494452334.db2.gz SSGUUBVKQSXSDA-UHFFFAOYSA-N 1 1 356.495 3.055 40 0 FGABMO Cc1nccn1C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019656790 494453704 /nfs/dbraw/zinc/45/37/04/494453704.db2.gz ZIPFSOSEGZLZHA-KRWDZBQOSA-N 1 1 353.445 3.429 40 0 FGABMO Cc1ncc(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)s1 ZINC000019702521 494455500 /nfs/dbraw/zinc/45/55/00/494455500.db2.gz LRLOXYFLRFDRST-NSHDSACASA-N 1 1 358.492 3.150 40 0 FGABMO CNc1cc(CN(C)Cc2cccc3ncccc23)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759954 494460421 /nfs/dbraw/zinc/46/04/21/494460421.db2.gz KDOYBQVJEUSBEL-IBGZPJMESA-N 1 1 362.481 3.123 40 0 FGABMO Oc1cccc(-c2cc(CC3([NH2+]Cc4ccc(F)cc4)COC3)no2)c1 ZINC000067898311 494687023 /nfs/dbraw/zinc/68/70/23/494687023.db2.gz KCNAXQFZZPRWKH-UHFFFAOYSA-N 1 1 354.381 3.288 40 0 biogenic,in-vitro FGABMO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)n1 ZINC000096040183 494997725 /nfs/dbraw/zinc/99/77/25/494997725.db2.gz KUYKBNFQEURMOI-PKOBYXMFSA-N 1 1 359.495 3.126 40 0 FGABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)n1 ZINC000096040183 494997729 /nfs/dbraw/zinc/99/77/29/494997729.db2.gz KUYKBNFQEURMOI-PKOBYXMFSA-N 1 1 359.495 3.126 40 0 FGABMO O=C(Cc1cccnc1)N1CCC[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096047111 494998659 /nfs/dbraw/zinc/99/86/59/494998659.db2.gz MXZAONUWQZMQPU-HXUWFJFHSA-N 1 1 355.507 3.200 40 0 FGABMO c1nc2c(n1CC1CC1)[C@H](COCC1CCOCC1)C[N@@H+](CC1CC1)C2 ZINC000096068675 495000879 /nfs/dbraw/zinc/00/08/79/495000879.db2.gz QDJTZBDSTWCNFR-IBGZPJMESA-N 1 1 359.514 3.046 40 0 FGABMO Cc1noc(C)c1C[NH+]1CCC2(C[C@@H](N(C)Cc3ccco3)CO2)CC1 ZINC000096158678 495005411 /nfs/dbraw/zinc/00/54/11/495005411.db2.gz CRTBVDPALYSELM-QGZVFWFLSA-N 1 1 359.470 3.140 40 0 FGABMO Cc1cccc(CN2CC[C@@]3(CCC[N@@H+](Cc4cccs4)C3)C2=O)n1 ZINC000096224715 495007374 /nfs/dbraw/zinc/00/73/74/495007374.db2.gz MWNUBGQPFGXHDD-HXUWFJFHSA-N 1 1 355.507 3.466 40 0 FGABMO COc1ncccc1C[N@H+]1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215736 495007878 /nfs/dbraw/zinc/00/78/78/495007878.db2.gz DIQHBGJIMFQGJG-LJQANCHMSA-N 1 1 358.511 3.035 40 0 FGABMO Cc1cccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2ncccc2F)C3)n1 ZINC000096229070 495008009 /nfs/dbraw/zinc/00/80/09/495008009.db2.gz PQZZJOCUGGGHLP-OAQYLSRUSA-N 1 1 370.472 3.043 40 0 FGABMO Cc1nc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)cs1 ZINC000247922949 496927306 /nfs/dbraw/zinc/92/73/06/496927306.db2.gz AAAFICBANUMLNC-OALUTQOASA-N 1 1 359.495 3.297 40 0 FGABMO Cc1nc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)cs1 ZINC000247922949 496927314 /nfs/dbraw/zinc/92/73/14/496927314.db2.gz AAAFICBANUMLNC-OALUTQOASA-N 1 1 359.495 3.297 40 0 FGABMO Cc1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)no1 ZINC000247934126 496929298 /nfs/dbraw/zinc/92/92/98/496929298.db2.gz ROECVJXKQDBTJM-LJQANCHMSA-N 1 1 371.481 3.356 40 0 FGABMO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](Oc1ncccc1F)CS2 ZINC000248076534 496952645 /nfs/dbraw/zinc/95/26/45/496952645.db2.gz ZZBQVSGRNBOUGL-GFCCVEGCSA-N 1 1 351.472 3.125 40 0 FGABMO Cc1nn(C[C@H](C)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c(C)c1Cl ZINC000248126651 496959044 /nfs/dbraw/zinc/95/90/44/496959044.db2.gz LXTMDAFIESRTPQ-KSSFIOAISA-N 1 1 374.916 3.305 40 0 FGABMO Cc1nn(C[C@H](C)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1Cl ZINC000248126651 496959048 /nfs/dbraw/zinc/95/90/48/496959048.db2.gz LXTMDAFIESRTPQ-KSSFIOAISA-N 1 1 374.916 3.305 40 0 FGABMO Cc1ccsc1C[N@@H+]1Cc2ccnn2C[C@@H](CNc2ccccn2)C1 ZINC000253598473 497345123 /nfs/dbraw/zinc/34/51/23/497345123.db2.gz BVQAEJKQGAFTAR-INIZCTEOSA-N 1 1 353.495 3.392 40 0 FGABMO Cc1cccc(Nc2cc(C[C@@H]3CCC[N@H+](Cc4cc[nH]n4)C3)ncn2)n1 ZINC000257300729 497400824 /nfs/dbraw/zinc/40/08/24/497400824.db2.gz RVLYITXJRKMMSR-INIZCTEOSA-N 1 1 363.469 3.101 40 0 FGABMO Cc1cccc(Nc2cc(C[C@@H]3CCC[N@@H+](Cc4cc[nH]n4)C3)ncn2)n1 ZINC000257300729 497400827 /nfs/dbraw/zinc/40/08/27/497400827.db2.gz RVLYITXJRKMMSR-INIZCTEOSA-N 1 1 363.469 3.101 40 0 FGABMO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(C(=O)Nc3cnccn3)n2)n1 ZINC000257310958 497402716 /nfs/dbraw/zinc/40/27/16/497402716.db2.gz UHIQEPQSMOTSGU-LJQANCHMSA-N 1 1 374.448 3.164 40 0 FGABMO Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(C(=O)Nc3cnccn3)n2)n1 ZINC000257310958 497402719 /nfs/dbraw/zinc/40/27/19/497402719.db2.gz UHIQEPQSMOTSGU-LJQANCHMSA-N 1 1 374.448 3.164 40 0 FGABMO Cc1cccn2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[N@@H+](C)C4)nc12 ZINC000257312723 497402828 /nfs/dbraw/zinc/40/28/28/497402828.db2.gz UPGXMZIYSAKIKD-CQSHLORDSA-N 1 1 352.482 3.120 40 0 FGABMO Cn1cc(C[N@H+]2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)cn1 ZINC000257334688 497403235 /nfs/dbraw/zinc/40/32/35/497403235.db2.gz YGZRUOACEUZDND-ZJOUEHCJSA-N 1 1 370.472 3.324 40 0 FGABMO COc1cccc(C[NH+]2CCC(Cc3cnc(CN(C)C)cn3)CC2)c1 ZINC000257327319 497403544 /nfs/dbraw/zinc/40/35/44/497403544.db2.gz XAXVHKFPKDEIGJ-UHFFFAOYSA-N 1 1 354.498 3.002 40 0 FGABMO Cc1cccc(Nc2cnc([C@H]3CCC[N@H+](Cc4ccnn4C)C3)cn2)n1 ZINC000257331770 497403831 /nfs/dbraw/zinc/40/38/31/497403831.db2.gz XUEZTNOEBQFENA-INIZCTEOSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)s1 ZINC000257336142 497404829 /nfs/dbraw/zinc/40/48/29/497404829.db2.gz YNJNDIYQCSUDDE-CYBMUJFWSA-N 1 1 355.471 3.088 40 0 FGABMO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)s1 ZINC000257336142 497404835 /nfs/dbraw/zinc/40/48/35/497404835.db2.gz YNJNDIYQCSUDDE-CYBMUJFWSA-N 1 1 355.471 3.088 40 0 FGABMO C[C@@H]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000262190970 497522113 /nfs/dbraw/zinc/52/21/13/497522113.db2.gz CFVKHVJQNDCBNV-WQWLHFTFSA-N 1 1 369.553 3.263 40 0 FGABMO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccncc4)C2)OC3)cc1 ZINC000306130663 498738506 /nfs/dbraw/zinc/73/85/06/498738506.db2.gz JMLPMSOPVSEZTK-NRFANRHFSA-N 1 1 364.424 3.259 40 0 FGABMO COc1ccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000408608934 499593167 /nfs/dbraw/zinc/59/31/67/499593167.db2.gz NCEHVVPTAGUBHE-UHFFFAOYSA-N 1 1 350.462 3.358 40 0 FGABMO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@H+](Cc1nccs1)CC2 ZINC000585099872 507566465 /nfs/dbraw/zinc/56/64/65/507566465.db2.gz NYKIWMBLQHPYQU-LJQANCHMSA-N 1 1 374.510 3.295 40 0 FGABMO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@@H+](Cc1nccs1)CC2 ZINC000585099872 507566467 /nfs/dbraw/zinc/56/64/67/507566467.db2.gz NYKIWMBLQHPYQU-LJQANCHMSA-N 1 1 374.510 3.295 40 0 FGABMO O=C1C[C@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1cccc(F)c1)C2 ZINC000585104967 507570598 /nfs/dbraw/zinc/57/05/98/507570598.db2.gz WRMPLBDBNRMKRB-NRFANRHFSA-N 1 1 372.415 3.220 40 0 FGABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@H+]1Cc1ccc(Cl)cc1 ZINC000585292375 507587092 /nfs/dbraw/zinc/58/70/92/507587092.db2.gz IFFSUVNBOVOYBU-KZNAEPCWSA-N 1 1 352.261 3.315 40 0 FGABMO Cc1ccc(C[C@H]2CCC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)cn1 ZINC000257279564 524684698 /nfs/dbraw/zinc/68/46/98/524684698.db2.gz OHFVNQMMYIAGEL-LJQANCHMSA-N 1 1 358.507 3.248 40 0 FGABMO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)cn1 ZINC000257279564 524684709 /nfs/dbraw/zinc/68/47/09/524684709.db2.gz OHFVNQMMYIAGEL-LJQANCHMSA-N 1 1 358.507 3.248 40 0 FGABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)Cc2ccccc2C)cc1 ZINC000020456356 527373779 /nfs/dbraw/zinc/37/37/79/527373779.db2.gz XHRFQIMNIUOING-UHFFFAOYSA-N 1 1 355.463 3.109 40 0 FGABMO CC[N@H+]1CC[C@@](O)(c2ccc(OC)cc2)[C@H](C(=O)c2ccc(OC)cc2)C1 ZINC000001628524 204014871 /nfs/dbraw/zinc/01/48/71/204014871.db2.gz KMCQMCWQIHWGTK-RBBKRZOGSA-N 1 1 369.461 3.116 40 0 FGABMO COc1cc([C@@H]2c3cc4c(cc3CC[N@H+]2C)OCO4)cc(OC)c1OC ZINC000001998907 204023961 /nfs/dbraw/zinc/02/39/61/204023961.db2.gz YNNAIAGUISNRCA-LJQANCHMSA-N 1 1 357.406 3.018 40 0 FGABMO COc1cc([C@@H]2c3cc4c(cc3CC[N@@H+]2C)OCO4)cc(OC)c1OC ZINC000001998907 204023964 /nfs/dbraw/zinc/02/39/64/204023964.db2.gz YNNAIAGUISNRCA-LJQANCHMSA-N 1 1 357.406 3.018 40 0 FGABMO CCCOc1cc2c(cc1C[N@H+]1CC[C@@](O)(c3ccccc3)C1)OCO2 ZINC000012364340 204455269 /nfs/dbraw/zinc/45/52/69/204455269.db2.gz ITTZQXACBJGTLW-NRFANRHFSA-N 1 1 355.434 3.298 40 0 FGABMO CSc1ncc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(C)cc3)CC2)cn1 ZINC000036741155 205020559 /nfs/dbraw/zinc/02/05/59/205020559.db2.gz LNDBJKNPPPUBSW-HNNXBMFYSA-N 1 1 356.495 3.026 40 0 FGABMO CCc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000047276249 205144810 /nfs/dbraw/zinc/14/48/10/205144810.db2.gz NMJASIMOOBYBSL-UHFFFAOYSA-N 1 1 366.505 3.330 40 0 FGABMO O=C(c1ccccc1)[C@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@]1(O)c1ccccc1 ZINC000054073041 205198044 /nfs/dbraw/zinc/19/80/44/205198044.db2.gz OXNBIVVBRPSTQX-XJUOHMSHSA-N 1 1 365.473 3.258 40 0 FGABMO COc1ccc(CN2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000107746908 206023487 /nfs/dbraw/zinc/02/34/87/206023487.db2.gz LATIFVFCHPNAAX-NQIIRXRSSA-N 1 1 356.441 3.172 40 0 FGABMO Cc1c(F)cccc1C[N@H+]1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 ZINC000108527675 206033308 /nfs/dbraw/zinc/03/33/08/206033308.db2.gz YAHNMGIZIIJLFF-SFTDATJTSA-N 1 1 355.457 3.004 40 0 FGABMO O=c1c(C2CCCCC2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1 ZINC000008296324 206216356 /nfs/dbraw/zinc/21/63/56/206216356.db2.gz TYFJGMRRVOQUEK-FUHWJXTLSA-N 1 1 356.510 3.494 40 0 biogenic,in-vitro FGABMO CCn1ncc(C[N@@H+](Cc2ccc(OC)c(OC)c2)C[C@H]2CCCO2)c1C ZINC000013994198 206307093 /nfs/dbraw/zinc/30/70/93/206307093.db2.gz DLERZCIRJYBQEF-LJQANCHMSA-N 1 1 373.497 3.410 40 0 FGABMO CCn1ncc(C[N@H+](Cc2ccc(OC)c(OC)c2)C[C@H]2CCCO2)c1C ZINC000013994198 206307098 /nfs/dbraw/zinc/30/70/98/206307098.db2.gz DLERZCIRJYBQEF-LJQANCHMSA-N 1 1 373.497 3.410 40 0 FGABMO c1c[nH]c(C[NH+]2CCC(CCc3ccnc(Nc4ncccn4)c3)CC2)n1 ZINC000257248235 206607801 /nfs/dbraw/zinc/60/78/01/206607801.db2.gz JCTJTAWOFLBHBX-UHFFFAOYSA-N 1 1 363.469 3.183 40 0 FGABMO COC(=O)c1ccc2c(c1)CCN(c1cc[nH+]c(NC3CCCC3)n1)C2 ZINC000329046597 132373058 /nfs/dbraw/zinc/37/30/58/132373058.db2.gz UCJNSGXYUFXUAC-UHFFFAOYSA-N 1 1 352.438 3.180 40 0 FGABMO COc1cccc(C[N@@H+]2CCN(C(=O)Cc3ccccc3F)[C@@H](C)C2)c1 ZINC000019575590 263374032 /nfs/dbraw/zinc/37/40/32/263374032.db2.gz NJCWPSMOPZCWNL-INIZCTEOSA-N 1 1 356.441 3.110 40 0 FGABMO COc1cccc(C[N@H+]2CCN(C(=O)Cc3ccccc3F)[C@@H](C)C2)c1 ZINC000019575590 263374035 /nfs/dbraw/zinc/37/40/35/263374035.db2.gz NJCWPSMOPZCWNL-INIZCTEOSA-N 1 1 356.441 3.110 40 0 FGABMO COc1cccc(C[N@@H+]2CCN(C(=O)Cc3ccc(F)cc3)[C@@H](C)C2)c1 ZINC000019575586 263374833 /nfs/dbraw/zinc/37/48/33/263374833.db2.gz GCZLDQPWDJBQFZ-INIZCTEOSA-N 1 1 356.441 3.110 40 0 FGABMO COc1cccc(C[N@H+]2CCN(C(=O)Cc3ccc(F)cc3)[C@@H](C)C2)c1 ZINC000019575586 263374835 /nfs/dbraw/zinc/37/48/35/263374835.db2.gz GCZLDQPWDJBQFZ-INIZCTEOSA-N 1 1 356.441 3.110 40 0 FGABMO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000030376671 493888832 /nfs/dbraw/zinc/88/88/32/493888832.db2.gz BVUYVKWAIGPODI-KRWDZBQOSA-N 1 1 360.885 3.210 40 0 FGABMO [NH3+][C@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Br)s1 ZINC000072228205 494145433 /nfs/dbraw/zinc/14/54/33/494145433.db2.gz GFOIUIWCUAXIQX-OLZOCXBDSA-N 1 1 355.232 3.061 40 0 FGABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2c(c1)OCO2 ZINC000072227799 494145850 /nfs/dbraw/zinc/14/58/50/494145850.db2.gz BPKQLIPHWBVFDB-GJZGRUSLSA-N 1 1 351.189 3.137 40 0 FGABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000072227800 494145862 /nfs/dbraw/zinc/14/58/62/494145862.db2.gz BPKQLIPHWBVFDB-HUUCEWRRSA-N 1 1 351.189 3.137 40 0 FGABMO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2c[nH+]c(N(C)C)cc2C)cc1 ZINC000072218690 494145880 /nfs/dbraw/zinc/14/58/80/494145880.db2.gz JUNCDXRWROVNEJ-SFHVURJKSA-N 1 1 359.495 3.290 40 0 FGABMO COCCOc1cccc(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)c1 ZINC000072343295 494154666 /nfs/dbraw/zinc/15/46/66/494154666.db2.gz XATJFCRVNCOWKF-SFTDATJTSA-N 1 1 366.461 3.255 40 0 FGABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc1OC ZINC000012089065 494203591 /nfs/dbraw/zinc/20/35/91/494203591.db2.gz MJAFMEOVFPKCGT-VSOVRNOCSA-N 1 1 368.477 3.219 40 0 FGABMO Cc1cnc(-c2nc(C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)no2)cn1 ZINC000012337375 494224934 /nfs/dbraw/zinc/22/49/34/494224934.db2.gz BPFGATILTLZKPE-UHFFFAOYSA-N 1 1 371.391 3.493 40 0 FGABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccn1 ZINC000012365840 494227644 /nfs/dbraw/zinc/22/76/44/494227644.db2.gz SEYSFPTUOOVIPS-WBVHZDCISA-N 1 1 356.495 3.131 40 0 FGABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@@H+](Cc4ccccn4)[C@@H]32)cc1 ZINC000019019375 494434679 /nfs/dbraw/zinc/43/46/79/494434679.db2.gz BYYHEMUXIIEEGO-YPAWHYETSA-N 1 1 365.477 3.069 40 0 FGABMO COc1c(C)cccc1C[NH2+]Cc1cc(N(C)C)nc(-c2cccnc2)n1 ZINC000019236024 494439168 /nfs/dbraw/zinc/43/91/68/494439168.db2.gz XIRCXWLJRMZOMH-UHFFFAOYSA-N 1 1 363.465 3.211 40 0 FGABMO Fc1ccc(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)c(F)c1 ZINC000019293058 494440559 /nfs/dbraw/zinc/44/05/59/494440559.db2.gz BUJPYUZBKDHNCG-UHFFFAOYSA-N 1 1 361.436 3.084 40 0 FGABMO O=c1cc(-c2cccnc2)nc([C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)[nH]1 ZINC000019292696 494440825 /nfs/dbraw/zinc/44/08/25/494440825.db2.gz CCWSZIMAPXLBSR-HNNXBMFYSA-N 1 1 368.387 3.100 40 0 FGABMO O=c1cc(-c2cccnc2)nc([C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)[nH]1 ZINC000019292696 494440828 /nfs/dbraw/zinc/44/08/28/494440828.db2.gz CCWSZIMAPXLBSR-HNNXBMFYSA-N 1 1 368.387 3.100 40 0 FGABMO O=c1cc(-c2ccncc2)nc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)[nH]1 ZINC000019349027 494443843 /nfs/dbraw/zinc/44/38/43/494443843.db2.gz TURXVACHTATUBW-KRWDZBQOSA-N 1 1 364.424 3.351 40 0 FGABMO O=C1NCC2(CC[NH+](Cc3ccc(F)c(F)c3)CC2)Oc2ccccc21 ZINC000019374821 494443912 /nfs/dbraw/zinc/44/39/12/494443912.db2.gz IADFDUNFXKYLMA-UHFFFAOYSA-N 1 1 358.388 3.122 40 0 FGABMO CCOc1cc(C[N@H+]2CCC[C@@H](c3nc(CC)cc(=O)[nH]3)C2)ccc1OC ZINC000019522504 494447846 /nfs/dbraw/zinc/44/78/46/494447846.db2.gz DAPXGPFIEBHXTK-MRXNPFEDSA-N 1 1 371.481 3.119 40 0 FGABMO CCN1CC[N@@H+](CC2CC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527442 494448119 /nfs/dbraw/zinc/44/81/19/494448119.db2.gz IYDVYPGDFGOZTB-JOCHJYFZSA-N 1 1 363.505 3.481 40 0 FGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4cc(C)c(O)c(C)c4)C3)cc(N)n2n1 ZINC000019569996 494449773 /nfs/dbraw/zinc/44/97/73/494449773.db2.gz YHEBFVWHMBAVIJ-QGZVFWFLSA-N 1 1 365.481 3.322 40 0 FGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)CCn1cccn1 ZINC000019589078 494451381 /nfs/dbraw/zinc/45/13/81/494451381.db2.gz JTMNRENTQQXHRN-VWPQPMDRSA-N 1 1 366.509 3.142 40 0 FGABMO C[N@H+]1CCc2nc([C@@H]3CCCCN3C(=O)CCc3ccccc3)ncc2C1 ZINC000019590288 494451552 /nfs/dbraw/zinc/45/15/52/494451552.db2.gz ATBCUTLYEUHENS-FQEVSTJZSA-N 1 1 364.493 3.151 40 0 FGABMO C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1ccc(=O)oc1 ZINC000019590192 494451805 /nfs/dbraw/zinc/45/18/05/494451805.db2.gz JLKSVNGSLMNXDC-SFHLNBCPSA-N 1 1 366.461 3.122 40 0 FGABMO COCCc1ncc(C[N@H+]2CCC[C@H](COc3ccc(F)cc3)C2)cn1 ZINC000019658582 494453642 /nfs/dbraw/zinc/45/36/42/494453642.db2.gz ADKBNFXKDLJJQF-INIZCTEOSA-N 1 1 359.445 3.096 40 0 FGABMO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCC[N@H+]2C2CCCCC2)n1 ZINC000019709793 494456306 /nfs/dbraw/zinc/45/63/06/494456306.db2.gz ZVBMGWLGWQEAPL-SFHVURJKSA-N 1 1 359.518 3.356 40 0 FGABMO Cc1cc2ncc(C[NH+](C)C)c([C@@H]3CCCN3C(=O)C3CCCCC3)n2n1 ZINC000019743680 494458306 /nfs/dbraw/zinc/45/83/06/494458306.db2.gz GFBOSZULLAHRLP-SFHVURJKSA-N 1 1 369.513 3.343 40 0 FGABMO Cc1cc2ncc(C[NH+](C)C)c([C@H]3CCCN3C(=O)C3CCCCC3)n2n1 ZINC000019743682 494458853 /nfs/dbraw/zinc/45/88/53/494458853.db2.gz GFBOSZULLAHRLP-GOSISDBHSA-N 1 1 369.513 3.343 40 0 FGABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccccc3O)n[nH]2)cc1OCC ZINC000095534510 494989121 /nfs/dbraw/zinc/98/91/21/494989121.db2.gz VYQQVYXRBRGRDF-KRWDZBQOSA-N 1 1 354.410 3.023 40 0 FGABMO Cc1ccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccncc4)CO3)CC2)o1 ZINC000096048079 494998770 /nfs/dbraw/zinc/99/87/70/494998770.db2.gz KJKPHSOCANYJJO-LJQANCHMSA-N 1 1 355.482 3.239 40 0 FGABMO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](COCc3cccnc3)C2)o1 ZINC000096059238 494999417 /nfs/dbraw/zinc/99/94/17/494999417.db2.gz JEZYOUXENJVAOI-SFHVURJKSA-N 1 1 352.438 3.028 40 0 FGABMO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](COCc3cccnc3)C2)o1 ZINC000096059238 494999418 /nfs/dbraw/zinc/99/94/18/494999418.db2.gz JEZYOUXENJVAOI-SFHVURJKSA-N 1 1 352.438 3.028 40 0 FGABMO Cc1ccc(C[N@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)s1 ZINC000096059167 494999991 /nfs/dbraw/zinc/99/99/91/494999991.db2.gz GFRKQJDVFKYYIY-QGZVFWFLSA-N 1 1 368.506 3.497 40 0 FGABMO Cc1ccc(C[N@@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)s1 ZINC000096059167 494999994 /nfs/dbraw/zinc/99/99/94/494999994.db2.gz GFRKQJDVFKYYIY-QGZVFWFLSA-N 1 1 368.506 3.497 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cc1 ZINC000096050728 495000323 /nfs/dbraw/zinc/00/03/23/495000323.db2.gz BDUCPEYQZFOXIJ-OAQYLSRUSA-N 1 1 354.425 3.463 40 0 FGABMO Fc1cccc(C[N@H+]2CCC[C@]3(C[C@H](CNc4ncccn4)CO3)C2)c1 ZINC000096075791 495001223 /nfs/dbraw/zinc/00/12/23/495001223.db2.gz GTDIKBTVPGVICA-XLIONFOSSA-N 1 1 356.445 3.099 40 0 FGABMO CC(C)n1nc(C[NH+]2CCCC2)c2c1CN(C(=O)Cc1ccsc1)CC2 ZINC000096084231 495001274 /nfs/dbraw/zinc/00/12/74/495001274.db2.gz SUYLKLHVZVCZGR-UHFFFAOYSA-N 1 1 372.538 3.249 40 0 FGABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@H]3C2)s1 ZINC000096065491 495001297 /nfs/dbraw/zinc/00/12/97/495001297.db2.gz WJJDPDNFVBIZSD-WBAXXEDZSA-N 1 1 357.479 3.070 40 0 FGABMO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](Cc3nccs3)C[C@H]21 ZINC000096145669 495004987 /nfs/dbraw/zinc/00/49/87/495004987.db2.gz UBURKPNXHCWEQO-HIFRSBDPSA-N 1 1 354.454 3.454 40 0 FGABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 ZINC000096207816 495006409 /nfs/dbraw/zinc/00/64/09/495006409.db2.gz JSODJDMRBXNRTH-AWEZNQCLSA-N 1 1 354.853 3.052 40 0 FGABMO CCOC[C@@H]1CCC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)[N@H+]1C ZINC000096207262 495006621 /nfs/dbraw/zinc/00/66/21/495006621.db2.gz ZFOTWBNUNDFGLM-INIZCTEOSA-N 1 1 350.528 3.470 40 0 FGABMO Cc1ccc(CN2CCO[C@@]3(CCC[N@@H+](Cc4ccccn4)C3)C2)s1 ZINC000096226741 495007862 /nfs/dbraw/zinc/00/78/62/495007862.db2.gz WGLHHNSNKPXSTC-HXUWFJFHSA-N 1 1 357.523 3.319 40 0 FGABMO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(Cc4ccccn4)C3)C2)s1 ZINC000096226741 495007867 /nfs/dbraw/zinc/00/78/67/495007867.db2.gz WGLHHNSNKPXSTC-HXUWFJFHSA-N 1 1 357.523 3.319 40 0 FGABMO Cc1ccc(C[N@H+]2CCO[C@@]3(CCCN(Cc4ccccn4)C3)C2)s1 ZINC000096226741 495007869 /nfs/dbraw/zinc/00/78/69/495007869.db2.gz WGLHHNSNKPXSTC-HXUWFJFHSA-N 1 1 357.523 3.319 40 0 FGABMO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228791 495007914 /nfs/dbraw/zinc/00/79/14/495007914.db2.gz LGSLXNBGEBFELV-JOCHJYFZSA-N 1 1 367.493 3.133 40 0 FGABMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)CCc1ccccc1)CCC2 ZINC000096259235 495008688 /nfs/dbraw/zinc/00/86/88/495008688.db2.gz DDMUMTYJJRUQMW-UHFFFAOYSA-N 1 1 354.498 3.088 40 0 FGABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)CCc1ccccc1)CCC2 ZINC000096259235 495008690 /nfs/dbraw/zinc/00/86/90/495008690.db2.gz DDMUMTYJJRUQMW-UHFFFAOYSA-N 1 1 354.498 3.088 40 0 FGABMO c1cc2c(cccc2C[NH+]2CC3(C2)OCC[C@@H]3COCc2ccccn2)[nH]1 ZINC000247839169 496919939 /nfs/dbraw/zinc/91/99/39/496919939.db2.gz KHPLPCGSOSJGKX-GOSISDBHSA-N 1 1 363.461 3.371 40 0 FGABMO Cc1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2ccccn2)no1 ZINC000247946237 496931695 /nfs/dbraw/zinc/93/16/95/496931695.db2.gz WMOJNMFYQYKOIY-GOSISDBHSA-N 1 1 371.481 3.356 40 0 FGABMO c1ccc(C[N@H+]2C[C@@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC000248135668 496959748 /nfs/dbraw/zinc/95/97/48/496959748.db2.gz ZPFGVAAOABTWTR-ISKFKSNPSA-N 1 1 361.533 3.467 40 0 FGABMO c1ccc(CN2C[C@@H]3C[N@@H+](C4CCN(Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC000248135668 496959752 /nfs/dbraw/zinc/95/97/52/496959752.db2.gz ZPFGVAAOABTWTR-ISKFKSNPSA-N 1 1 361.533 3.467 40 0 FGABMO c1ccc(CN2C[C@@H]3C[N@H+](C4CCN(Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC000248135668 496959759 /nfs/dbraw/zinc/95/97/59/496959759.db2.gz ZPFGVAAOABTWTR-ISKFKSNPSA-N 1 1 361.533 3.467 40 0 FGABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)CC1 ZINC000224128424 497047125 /nfs/dbraw/zinc/04/71/25/497047125.db2.gz FRIBWIDHIOWOQO-UHFFFAOYSA-N 1 1 368.477 3.360 40 0 FGABMO COc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000224753380 497053444 /nfs/dbraw/zinc/05/34/44/497053444.db2.gz YPRBVLDZWGCTKQ-UHFFFAOYSA-N 1 1 374.868 3.111 40 0 FGABMO Cc1csc(Nc2nccnc2C2CC[NH+](Cc3cn(C)cn3)CC2)n1 ZINC000257214018 497391744 /nfs/dbraw/zinc/39/17/44/497391744.db2.gz CKDVOPFXUITKOY-UHFFFAOYSA-N 1 1 369.498 3.098 40 0 FGABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(N(C)C)c2)cc1CO ZINC000257266788 497395997 /nfs/dbraw/zinc/39/59/97/497395997.db2.gz MENUXHXZRJMWLS-LJQANCHMSA-N 1 1 355.482 3.376 40 0 FGABMO Cc1n[nH]cc1C[N@@H+]1CCCC[C@@H]1c1cc(Nc2ncccn2)nc(C)n1 ZINC000257277259 497397678 /nfs/dbraw/zinc/39/76/78/497397678.db2.gz NXCKNJISGXYTQU-QGZVFWFLSA-N 1 1 364.457 3.077 40 0 FGABMO Cc1n[nH]cc1C[N@H+]1CCCC[C@@H]1c1cc(Nc2ncccn2)nc(C)n1 ZINC000257277259 497397680 /nfs/dbraw/zinc/39/76/80/497397680.db2.gz NXCKNJISGXYTQU-QGZVFWFLSA-N 1 1 364.457 3.077 40 0 FGABMO Cc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4cccnc4)C2)OC3)cc1 ZINC000306128478 498737977 /nfs/dbraw/zinc/73/79/77/498737977.db2.gz HBFCMTMGYPKPJF-QFIPXVFZSA-N 1 1 360.461 3.428 40 0 FGABMO c1csc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccccn4)C2)OC3)c1 ZINC000306135589 498740335 /nfs/dbraw/zinc/74/03/35/498740335.db2.gz OVGUWQZTWAXCAR-LJQANCHMSA-N 1 1 352.463 3.182 40 0 FGABMO CN1CC[N@H+](Cc2ccoc2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306138335 498740812 /nfs/dbraw/zinc/74/08/12/498740812.db2.gz RVBQECWLIPNICM-OAQYLSRUSA-N 1 1 373.460 3.478 40 0 FGABMO CN1CC[N@@H+](Cc2ccoc2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306138335 498740817 /nfs/dbraw/zinc/74/08/17/498740817.db2.gz RVBQECWLIPNICM-OAQYLSRUSA-N 1 1 373.460 3.478 40 0 FGABMO COc1ccc(CCC(=O)N2CCC[C@@]3(CCC[N@H+]3C)CC2)c(OC)c1 ZINC000585100173 507566707 /nfs/dbraw/zinc/56/67/07/507566707.db2.gz HCEWXCVUJPJAIA-NRFANRHFSA-N 1 1 360.498 3.113 40 0 FGABMO CC(=O)N[C@H]1CCC[N@H+](Cc2ncccc2F)[C@H]1Cc1cccc(F)c1 ZINC000585279215 507585072 /nfs/dbraw/zinc/58/50/72/507585072.db2.gz XGTORWDDWJRRSO-ICSRJNTNSA-N 1 1 359.420 3.072 40 0 FGABMO CC(=O)N[C@H]1CCC[N@@H+](Cc2ncccc2F)[C@H]1Cc1cccc(F)c1 ZINC000585279215 507585077 /nfs/dbraw/zinc/58/50/77/507585077.db2.gz XGTORWDDWJRRSO-ICSRJNTNSA-N 1 1 359.420 3.072 40 0 FGABMO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC000514288566 560034560 /nfs/dbraw/zinc/03/45/60/560034560.db2.gz ACEKPDATJYYAEZ-ZBFHGGJFSA-N 1 1 354.372 3.165 40 0 biogenic,in-vitro FGABMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000060016380 205284125 /nfs/dbraw/zinc/28/41/25/205284125.db2.gz ZLPHSYRSKUEUAT-TZIWHRDSSA-N 1 1 362.489 3.290 40 0 FGABMO Cc1ccc(F)c(C[N@H+]2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3C2)c1 ZINC000108526856 206032626 /nfs/dbraw/zinc/03/26/26/206032626.db2.gz QBETYZDBRIAHCL-SFTDATJTSA-N 1 1 355.457 3.004 40 0 FGABMO Cc1cc(I)ccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000000873561 206137981 /nfs/dbraw/zinc/13/79/81/206137981.db2.gz JMMHVWOVSSVBLD-UHFFFAOYSA-N 1 1 372.250 3.270 40 0 FGABMO CN1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cccs5)ccc43)C2)CC1 ZINC000004237304 206172695 /nfs/dbraw/zinc/17/26/95/206172695.db2.gz MSCTWVKFALLTQY-JKSUJKDBSA-N 1 1 369.534 3.090 40 0 biogenic,in-vitro FGABMO CC[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2ccccc2F)CC1 ZINC000019528080 206327182 /nfs/dbraw/zinc/32/71/82/206327182.db2.gz RDSMHKXOJVOQGH-IBGZPJMESA-N 1 1 372.492 3.044 40 0 FGABMO CCOc1c(Br)cc(C[NH2+]CCN(CC)CC)cc1OC ZINC000022076020 206327655 /nfs/dbraw/zinc/32/76/55/206327655.db2.gz RUWPPARXBUCEAM-UHFFFAOYSA-N 1 1 359.308 3.288 40 0 FGABMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCCC(=O)N[C@@H]32)c1 ZINC000212420147 206341952 /nfs/dbraw/zinc/34/19/52/206341952.db2.gz WPDDQIBJIMWRFP-KCZVDYSFSA-N 1 1 350.462 3.332 40 0 FGABMO CC(C)c1cc(N2Cc3ccccc3CC2(C)C)nc(N[C@@H](C)CO)[nH+]1 ZINC000329070260 132373190 /nfs/dbraw/zinc/37/31/90/132373190.db2.gz ZFPGNIMPOHXRAM-HNNXBMFYSA-N 1 1 354.498 3.156 40 0 FGABMO O=C(c1ccc2c(c1)NC(=O)CO2)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000069020988 493907350 /nfs/dbraw/zinc/90/73/50/493907350.db2.gz YOLAUCMGILZBGY-UHFFFAOYSA-N 1 1 368.408 3.252 40 0 FGABMO COC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000030946485 493914250 /nfs/dbraw/zinc/91/42/50/493914250.db2.gz OBBYTMZDPCAYJL-QGZVFWFLSA-N 1 1 370.424 3.463 40 0 FGABMO C[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(I)c1 ZINC000031772640 493960211 /nfs/dbraw/zinc/96/02/11/493960211.db2.gz YPGSEFDICUTVAP-INIZCTEOSA-N 1 1 367.230 3.457 40 0 FGABMO C[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216417 494144314 /nfs/dbraw/zinc/14/43/14/494144314.db2.gz YQRHMXNHUSYCBS-QGZVFWFLSA-N 1 1 360.502 3.296 40 0 FGABMO Cc1occc1-c1cc2nc(C)c(C)c(NCCC[NH+]3CCOCC3)n2n1 ZINC000072336992 494153655 /nfs/dbraw/zinc/15/36/55/494153655.db2.gz GGCMPBSKKHNRCU-UHFFFAOYSA-N 1 1 369.469 3.049 40 0 FGABMO COc1ccc(-c2cccc([C@@H]3CCC[N@@H+](CC(=O)N(C)C)C3)n2)cc1 ZINC000072349512 494156267 /nfs/dbraw/zinc/15/62/67/494156267.db2.gz ATTLXBFZMQSXEE-QGZVFWFLSA-N 1 1 353.466 3.025 40 0 FGABMO Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072378389 494161058 /nfs/dbraw/zinc/16/10/58/494161058.db2.gz ZZPKCFLAFMRHOA-KRWDZBQOSA-N 1 1 351.385 3.087 40 0 FGABMO COc1cc2c(cc1OC)[C@H](C)[N@H+]([C@H]1CCCN(C(=O)C(C)C)C1)CC2 ZINC000012232941 494215923 /nfs/dbraw/zinc/21/59/23/494215923.db2.gz BBANAOAFNNVANU-RDJZCZTQSA-N 1 1 360.498 3.270 40 0 FGABMO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cnc(C(C)C)nc2)CC1 ZINC000012328768 494225228 /nfs/dbraw/zinc/22/52/28/494225228.db2.gz MMSQVWKKNQPIIW-UHFFFAOYSA-N 1 1 370.472 3.367 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(C(=O)N4CCCC4)on3)C2)cc1 ZINC000019555161 494448940 /nfs/dbraw/zinc/44/89/40/494448940.db2.gz NDFNRWOTAPRCRP-KRWDZBQOSA-N 1 1 369.465 3.299 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)c(C)c1C ZINC000019577357 494451421 /nfs/dbraw/zinc/45/14/21/494451421.db2.gz FEGDWTLJORPNSZ-GOSISDBHSA-N 1 1 367.493 3.195 40 0 FGABMO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)cn1 ZINC000019658674 494453472 /nfs/dbraw/zinc/45/34/72/494453472.db2.gz PGWIEWCMRGEFIJ-KRWDZBQOSA-N 1 1 357.454 3.020 40 0 FGABMO COCCc1ncc(C[N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)cn1 ZINC000019658674 494453474 /nfs/dbraw/zinc/45/34/74/494453474.db2.gz PGWIEWCMRGEFIJ-KRWDZBQOSA-N 1 1 357.454 3.020 40 0 FGABMO Cc1nn(C)cc1C[N@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713197 494456297 /nfs/dbraw/zinc/45/62/97/494456297.db2.gz UQHWTNNDGNMUAA-RTWAWAEBSA-N 1 1 366.509 3.274 40 0 FGABMO Cc1nc([C@H]2CCC[N@@H+]2C(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019754134 494460167 /nfs/dbraw/zinc/46/01/67/494460167.db2.gz WOGZJRPGPVDBHD-GOSISDBHSA-N 1 1 356.445 3.399 40 0 FGABMO Cc1ccc(C[NH+]2CCC3(C[C@H](N(C)Cc4ccccn4)CO3)CC2)o1 ZINC000096048050 494998106 /nfs/dbraw/zinc/99/81/06/494998106.db2.gz BSNWHPPWSAAKDD-IBGZPJMESA-N 1 1 355.482 3.239 40 0 FGABMO CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1CN(Cc1ccco1)CCC2 ZINC000096056026 494999408 /nfs/dbraw/zinc/99/94/08/494999408.db2.gz FWBRHEMMMRHPAV-RXVVDRJESA-N 1 1 372.465 3.150 40 0 FGABMO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@H+](Cc1ccco1)CCC2 ZINC000096056026 494999409 /nfs/dbraw/zinc/99/94/09/494999409.db2.gz FWBRHEMMMRHPAV-RXVVDRJESA-N 1 1 372.465 3.150 40 0 FGABMO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1ccco1)CCC2 ZINC000096056026 494999410 /nfs/dbraw/zinc/99/94/10/494999410.db2.gz FWBRHEMMMRHPAV-RXVVDRJESA-N 1 1 372.465 3.150 40 0 FGABMO c1cc2n(n1)C[C@H](COCc1ccccn1)C[N@@H+](Cc1ccsc1)C2 ZINC000096059242 494999433 /nfs/dbraw/zinc/99/94/33/494999433.db2.gz UGWVQKUQSDIIFW-QGZVFWFLSA-N 1 1 354.479 3.188 40 0 FGABMO c1cc2n(n1)C[C@H](COCc1ccccn1)C[N@H+](Cc1ccsc1)C2 ZINC000096059242 494999435 /nfs/dbraw/zinc/99/94/35/494999435.db2.gz UGWVQKUQSDIIFW-QGZVFWFLSA-N 1 1 354.479 3.188 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)cc1 ZINC000096050912 494999641 /nfs/dbraw/zinc/99/96/41/494999641.db2.gz CJDWWJUYVYJTIE-FQEVSTJZSA-N 1 1 371.506 3.085 40 0 FGABMO c1csc(C[N@H+]2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)c1 ZINC000096059239 495000328 /nfs/dbraw/zinc/00/03/28/495000328.db2.gz BLHIKDRFULQFCQ-INIZCTEOSA-N 1 1 354.479 3.188 40 0 FGABMO c1csc(C[N@@H+]2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)c1 ZINC000096059239 495000330 /nfs/dbraw/zinc/00/03/30/495000330.db2.gz BLHIKDRFULQFCQ-INIZCTEOSA-N 1 1 354.479 3.188 40 0 FGABMO Cn1ccnc1CN1CCC2(CC1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096158404 495005758 /nfs/dbraw/zinc/00/57/58/495005758.db2.gz FKNOSSOZQDCDBJ-UHFFFAOYSA-N 1 1 356.489 3.437 40 0 FGABMO Cn1cncc1CN[C@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096241469 495008441 /nfs/dbraw/zinc/00/84/41/495008441.db2.gz RIQQDUPCXCSBJT-NRFANRHFSA-N 1 1 350.510 3.398 40 0 FGABMO Fc1cccc(-c2nc3c(c(NC4CC4)n2)C[N@@H+](C[C@H]2CCOC2)CC3)c1 ZINC000096254240 495008921 /nfs/dbraw/zinc/00/89/21/495008921.db2.gz SZGJDXZONNXHSZ-CQSZACIVSA-N 1 1 368.456 3.252 40 0 FGABMO COc1ccc2c3c1O[C@@]1(C)[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C)C2 ZINC000096316380 495009925 /nfs/dbraw/zinc/00/99/25/495009925.db2.gz HNGQYCCVBUYBHG-IYLYHHGGSA-N 1 1 367.489 3.326 40 0 biogenic,in-vitro FGABMO Cc1ccsc1C[N@H+]1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@@H]2C1 ZINC000097953808 495046484 /nfs/dbraw/zinc/04/64/84/495046484.db2.gz SUCXTXDTVQHTOX-USXIJHARSA-N 1 1 357.479 3.070 40 0 FGABMO COc1ccc([C@H](CNC(=O)[C@H]2CC[C@H](C[NH3+])CC2)N2CCCCC2)cc1 ZINC000100768876 495066467 /nfs/dbraw/zinc/06/64/67/495066467.db2.gz UEOLIZQBAZVJDX-DSKINZAPSA-N 1 1 373.541 3.104 40 0 FGABMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cnc4onc(C)c4c3)CC2)cs1 ZINC000264529707 496921432 /nfs/dbraw/zinc/92/14/32/496921432.db2.gz CVYOCOCWHHCJFT-UHFFFAOYSA-N 1 1 371.466 3.147 40 0 FGABMO Cc1cccc(CO[C@H]2Cn3cccc3C[N@@H+](CC3CCOCC3)C2)n1 ZINC000247873026 496923586 /nfs/dbraw/zinc/92/35/86/496923586.db2.gz MFFVHQTVKIVILS-OAQYLSRUSA-N 1 1 355.482 3.019 40 0 FGABMO COc1ccc(CN2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000247886583 496925699 /nfs/dbraw/zinc/92/56/99/496925699.db2.gz LATIFVFCHPNAAX-RXVVDRJESA-N 1 1 356.441 3.172 40 0 FGABMO c1cc2c(cccc2C[NH+]2CC3(C2)OCC[C@@H]3COCC2CCOCC2)[nH]1 ZINC000248068221 496951813 /nfs/dbraw/zinc/95/18/13/496951813.db2.gz GKRIZEOVXDVCEX-LJQANCHMSA-N 1 1 370.493 3.202 40 0 FGABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C)c1C ZINC000224544922 497050004 /nfs/dbraw/zinc/05/00/04/497050004.db2.gz CUAGSIOKBGBQQB-QGZVFWFLSA-N 1 1 368.543 3.245 40 0 FGABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COC ZINC000224688263 497051772 /nfs/dbraw/zinc/05/17/72/497051772.db2.gz FZMMYUSFDVFAKI-UHFFFAOYSA-N 1 1 368.477 3.190 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@H]3COC(=O)N3c3ccc(OC)cc3C2)cc1 ZINC000225490504 497065257 /nfs/dbraw/zinc/06/52/57/497065257.db2.gz CDIWSMQZLNIQCY-KRWDZBQOSA-N 1 1 368.433 3.435 40 0 biogenic,in-vitro FGABMO Cc1ccsc1C[NH+]1CC2(C1)OCC[C@H]2COCC1CCOCC1 ZINC000253598919 497344643 /nfs/dbraw/zinc/34/46/43/497344643.db2.gz IXIFTVLYBULSQB-KRWDZBQOSA-N 1 1 351.512 3.091 40 0 FGABMO Cc1n[nH]c(C)c1CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCC[N@@H+]2C ZINC000257316065 497401943 /nfs/dbraw/zinc/40/19/43/497401943.db2.gz VDYWGMPYGZCGFL-PCCBWWKXSA-N 1 1 366.509 3.396 40 0 FGABMO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@@H+](CCO)[C@H]1CCCCC(=O)N2 ZINC000257319820 497402725 /nfs/dbraw/zinc/40/27/25/497402725.db2.gz VUFAHCKTIWBGMW-BQFCYCMXSA-N 1 1 370.415 3.262 40 0 FGABMO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000257330479 497403764 /nfs/dbraw/zinc/40/37/64/497403764.db2.gz XOPMYJJMARBIFK-GFCCVEGCSA-N 1 1 372.519 3.444 40 0 FGABMO Cc1n[nH]cc1C[N@@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000257330391 497403952 /nfs/dbraw/zinc/40/39/52/497403952.db2.gz XODZWUOEMACPQA-CYBMUJFWSA-N 1 1 369.494 3.019 40 0 FGABMO CC(C)[N@H+]1CCOC[C@]2(CC[C@H](C[NH2+]Cc3ccccc3Cl)O2)C1 ZINC000306124519 498737282 /nfs/dbraw/zinc/73/72/82/498737282.db2.gz BSKJYOTXXKISIE-MJGOQNOKSA-N 1 1 352.906 3.088 40 0 FGABMO O=C(NCc1cc2c(s1)CC[N@H+](Cc1ccoc1)C2)c1ccncc1 ZINC000306132692 498738087 /nfs/dbraw/zinc/73/80/87/498738087.db2.gz LPINATYRCFVCSO-UHFFFAOYSA-N 1 1 353.447 3.224 40 0 FGABMO O=C(NCc1cc2c(s1)CC[N@@H+](Cc1ccoc1)C2)c1ccncc1 ZINC000306132692 498738090 /nfs/dbraw/zinc/73/80/90/498738090.db2.gz LPINATYRCFVCSO-UHFFFAOYSA-N 1 1 353.447 3.224 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]2N1Cc1cccnc1 ZINC000306127806 498738179 /nfs/dbraw/zinc/73/81/79/498738179.db2.gz GICBLRYLTASSDI-OALUTQOASA-N 1 1 364.474 3.026 40 0 FGABMO CCCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000408627124 499593306 /nfs/dbraw/zinc/59/33/06/499593306.db2.gz KLPLCVPNKXZFFZ-UHFFFAOYSA-N 1 1 368.934 3.095 40 0 FGABMO C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)c2ccccc2)CC3)C1 ZINC000585104200 507570428 /nfs/dbraw/zinc/57/04/28/507570428.db2.gz MONDMLSWEQFHRZ-QUCCMNQESA-N 1 1 356.510 3.430 40 0 FGABMO COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000020483125 523712528 /nfs/dbraw/zinc/71/25/28/523712528.db2.gz DFBQEKDPTIGGQM-UHFFFAOYSA-N 1 1 351.406 3.128 40 0 FGABMO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019809669 524318584 /nfs/dbraw/zinc/31/85/84/524318584.db2.gz ZPNGFNGQJIEFPG-SFHVURJKSA-N 1 1 358.457 3.004 40 0 FGABMO COc1cccc(O[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000020454313 526239323 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XYSOAJLIOSPWJA-INIZCTEOSA-N 1 1 357.498 3.054 40 0 FGABMO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015674934 206315485 /nfs/dbraw/zinc/31/54/85/206315485.db2.gz IQYUGBKHZLBGCF-MSOLQXFVSA-N 1 1 353.397 3.492 40 0 biogenic,in-vitro FGABMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015674934 206315490 /nfs/dbraw/zinc/31/54/90/206315490.db2.gz IQYUGBKHZLBGCF-MSOLQXFVSA-N 1 1 353.397 3.492 40 0 biogenic,in-vitro FGABMO CCOC[C@@]1([NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218063561 206367559 /nfs/dbraw/zinc/36/75/59/206367559.db2.gz AEBBIAOOYUWOIX-FGTMMUONSA-N 1 1 365.882 3.014 40 0 FGABMO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@@H+](Cc4cncs4)C3)n2)n1 ZINC000257313833 206623293 /nfs/dbraw/zinc/62/32/93/206623293.db2.gz UUHDXPHADNDBER-AWEZNQCLSA-N 1 1 354.483 3.320 40 0 FGABMO C[C@@H](CO)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000329023002 132372472 /nfs/dbraw/zinc/37/24/72/132372472.db2.gz OQCCWQHLEAMGSO-AWEZNQCLSA-N 1 1 352.482 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O=c1cc([C@@H]2CCC[N@@H+](Cc3ccsc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393084 494163043 /nfs/dbraw/zinc/16/30/43/494163043.db2.gz IOLBLEZOBLKVAP-MRXNPFEDSA-N 1 1 352.463 3.273 40 0 FGABMO O=c1cc([C@H]2CCC[N@@H+](Cc3cccs3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393047 494163185 /nfs/dbraw/zinc/16/31/85/494163185.db2.gz URPDTQOSZZEGMY-HNNXBMFYSA-N 1 1 352.463 3.273 40 0 FGABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COCCOC23CC4CC(CC(C4)C2)C3)C1 ZINC000041689915 494173634 /nfs/dbraw/zinc/17/36/34/494173634.db2.gz LDSVOMWXCKXKQC-PXXWCDJASA-N 1 1 365.558 3.327 40 0 FGABMO COc1ccccc1[C@@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000012292438 494219143 /nfs/dbraw/zinc/21/91/43/494219143.db2.gz HKKVYNZWJTVDEZ-UYAOXDASSA-N 1 1 361.869 3.366 40 0 FGABMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1Br ZINC000013425018 494286984 /nfs/dbraw/zinc/28/69/84/494286984.db2.gz ARDYYLOYCMPRGQ-BBRMVZONSA-N 1 1 351.288 3.443 40 0 FGABMO C[C@@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013709781 494293456 /nfs/dbraw/zinc/29/34/56/494293456.db2.gz AMHAUGNNYFDGOI-MRXNPFEDSA-N 1 1 358.869 3.452 40 0 FGABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019287689 494439202 /nfs/dbraw/zinc/43/92/02/494439202.db2.gz OOXODYDHBZGOHY-RHSMWYFYSA-N 1 1 351.454 3.110 40 0 FGABMO Cc1cccc([C@@H]2C[N@H+](Cc3cccc(F)c3F)C[C@]23CCCC(=O)N3)n1 ZINC000019236370 494439742 /nfs/dbraw/zinc/43/97/42/494439742.db2.gz PMNZFNQXTGBDFU-HRAATJIYSA-N 1 1 371.431 3.307 40 0 FGABMO Cc1cccc([C@@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@]23CCCC(=O)N3)n1 ZINC000019236370 494439748 /nfs/dbraw/zinc/43/97/48/494439748.db2.gz PMNZFNQXTGBDFU-HRAATJIYSA-N 1 1 371.431 3.307 40 0 FGABMO Fc1cccc(F)c1CN(CCC[NH+]1CCOCC1)Cc1cccnc1 ZINC000019292649 494441021 /nfs/dbraw/zinc/44/10/21/494441021.db2.gz RVIUTEXLVNZHAT-UHFFFAOYSA-N 1 1 361.436 3.084 40 0 FGABMO O=C(NC1CC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372519 494443116 /nfs/dbraw/zinc/44/31/16/494443116.db2.gz NTHHKWWTXUIDLL-WOJBJXKFSA-N 1 1 366.436 3.035 40 0 FGABMO CC(C)c1[nH+]ccn1CC(=O)NCC1(c2ccccc2F)CCOCC1 ZINC000019454418 494444675 /nfs/dbraw/zinc/44/46/75/494444675.db2.gz IGXSNCURTSEOPR-UHFFFAOYSA-N 1 1 359.445 3.010 40 0 FGABMO CCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCC(C)CC1)CC2 ZINC000019498798 494445649 /nfs/dbraw/zinc/44/56/49/494445649.db2.gz OGLYBJQRNAPTIQ-JMLCCBQJSA-N 1 1 372.513 3.193 40 0 FGABMO C[C@@H]1Cc2cc([C@@H](O)C[NH+]3CCN(c4ccccc4F)CC3)ccc2O1 ZINC000019498043 494446373 /nfs/dbraw/zinc/44/63/73/494446373.db2.gz NMLAPUOQBBSPBQ-QRWLVFNGSA-N 1 1 356.441 3.005 40 0 FGABMO COc1cc(C)c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1C ZINC000019567206 494449751 /nfs/dbraw/zinc/44/97/51/494449751.db2.gz CCFZLUJNJGMGPN-QIDMFYOTSA-N 1 1 369.509 3.165 40 0 FGABMO COCCC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccn1 ZINC000019593282 494453082 /nfs/dbraw/zinc/45/30/82/494453082.db2.gz BHULJORJYQPVRJ-UHFFFAOYSA-N 1 1 354.429 3.445 40 0 FGABMO COCCC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccn1 ZINC000019593282 494453087 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Cc1ccc(C[N@H+]2CCC[C@H](Cn3nnc(-c4ccncc4)n3)C2)cc1C ZINC000019213994 494437897 /nfs/dbraw/zinc/43/78/97/494437897.db2.gz NHDRSBVESGHADV-IBGZPJMESA-N 1 1 362.481 3.264 40 0 FGABMO Cc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)(C)CN2CCOCC2)cc1 ZINC000019208452 494438221 /nfs/dbraw/zinc/43/82/21/494438221.db2.gz HGYNZVODVQVRNK-TYABSZSSSA-N 1 1 372.553 3.168 40 0 FGABMO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)no2)CC1 ZINC000019496762 494446148 /nfs/dbraw/zinc/44/61/48/494446148.db2.gz XTXCKSZTSKCFSM-QGZVFWFLSA-N 1 1 368.481 3.321 40 0 FGABMO CCN1C(=O)CCC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000019713130 494456592 /nfs/dbraw/zinc/45/65/92/494456592.db2.gz VETLLDICNFJSRV-RTBURBONSA-N 1 1 368.481 3.061 40 0 FGABMO Cc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1N1CCCCC1 ZINC000019716149 494457789 /nfs/dbraw/zinc/45/77/89/494457789.db2.gz PJKFHNDFCIMXJQ-NRFANRHFSA-N 1 1 373.541 3.072 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccnc2)C3)cc1 ZINC000096047047 494997956 /nfs/dbraw/zinc/99/79/56/494997956.db2.gz ZXWXGHIQCOTINM-JOCHJYFZSA-N 1 1 365.477 3.219 40 0 FGABMO c1nc2c(n1CC1CC1)[C@@H](COCC1CCOCC1)C[N@H+](C1CCC1)C2 ZINC000096045173 494998475 /nfs/dbraw/zinc/99/84/75/494998475.db2.gz HJLMQCOPRUSYRI-GOSISDBHSA-N 1 1 359.514 3.188 40 0 FGABMO COc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)cc1 ZINC000096058014 495000153 /nfs/dbraw/zinc/00/01/53/495000153.db2.gz KFGLIKFNPYLVCK-PWRODBHTSA-N 1 1 354.450 3.039 40 0 FGABMO COc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)cc1 ZINC000096058014 495000157 /nfs/dbraw/zinc/00/01/57/495000157.db2.gz KFGLIKFNPYLVCK-PWRODBHTSA-N 1 1 354.450 3.039 40 0 FGABMO c1csc(C[N@H+]2Cc3ccnn3C[C@H](COCc3cccnc3)C2)c1 ZINC000096059232 495000340 /nfs/dbraw/zinc/00/03/40/495000340.db2.gz JKQKHYZPMGCTID-QGZVFWFLSA-N 1 1 354.479 3.188 40 0 FGABMO c1csc(C[N@@H+]2Cc3ccnn3C[C@H](COCc3cccnc3)C2)c1 ZINC000096059232 495000341 /nfs/dbraw/zinc/00/03/41/495000341.db2.gz JKQKHYZPMGCTID-QGZVFWFLSA-N 1 1 354.479 3.188 40 0 FGABMO c1nc2c(n1CC1CC1)[C@@H](COCc1cccnc1)C[N@@H+](CC1CC1)C2 ZINC000096068678 495001027 /nfs/dbraw/zinc/00/10/27/495001027.db2.gz SVUTWROJDIVMFG-LJQANCHMSA-N 1 1 352.482 3.214 40 0 FGABMO COCC[NH2+][C@@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21 ZINC000096079057 495001286 /nfs/dbraw/zinc/00/12/86/495001286.db2.gz MTQVTZKPPOHIDS-GOSISDBHSA-N 1 1 357.523 3.358 40 0 FGABMO COc1cccc(C[N@H+]2CCC3(C2)CCN(C(=O)C2CC=CC2)CC3)c1 ZINC000096157465 495005453 /nfs/dbraw/zinc/00/54/53/495005453.db2.gz UENLCSHHCPYCOX-UHFFFAOYSA-N 1 1 354.494 3.476 40 0 FGABMO C[N@@H+](Cc1cccnc1)C1CC2(C1)CCN(C(=O)c1cscn1)CC2 ZINC000096159249 495005747 /nfs/dbraw/zinc/00/57/47/495005747.db2.gz NHYMCODHUDPIQS-UHFFFAOYSA-N 1 1 356.495 3.055 40 0 FGABMO Cc1ccc(C[N@@H+]2CCc3cc(C(=O)N(C)C)c(NC(C)C)nc3CC2)o1 ZINC000096260430 495008967 /nfs/dbraw/zinc/00/89/67/495008967.db2.gz UGQSDSSVZBYBSL-UHFFFAOYSA-N 1 1 370.497 3.106 40 0 FGABMO CC(C)n1ccc(-c2cc(C(=O)N3CCC[N@@H+](C)CC3)c3ccccn23)n1 ZINC000096266678 495009122 /nfs/dbraw/zinc/00/91/22/495009122.db2.gz UNNOKLXQNYDGLE-UHFFFAOYSA-N 1 1 365.481 3.161 40 0 FGABMO Cc1ccc(C(=O)N2CCCn3cnc(C[NH+]4CCCC4)c3C2)cc1C ZINC000096259291 495009167 /nfs/dbraw/zinc/00/91/67/495009167.db2.gz MDANGDVVPZMCJD-UHFFFAOYSA-N 1 1 352.482 3.142 40 0 FGABMO COC[C@H]1C[N@@H+](C)CC12CCN(C(=O)Cc1csc3ccccc13)CC2 ZINC000248027546 496945212 /nfs/dbraw/zinc/94/52/12/496945212.db2.gz MYVLLXMHSZWDCU-QGZVFWFLSA-N 1 1 372.534 3.261 40 0 FGABMO COC[C@@H]1C[N@@H+](CC(C)C)CC12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000248225741 496973799 /nfs/dbraw/zinc/97/37/99/496973799.db2.gz JEAMHHDUHLEFIX-IBGZPJMESA-N 1 1 374.525 3.152 40 0 FGABMO S=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)Nc1ncccn1 ZINC000225216590 497058265 /nfs/dbraw/zinc/05/82/65/497058265.db2.gz MPZYDVSTLLFUPB-UHFFFAOYSA-N 1 1 358.858 3.077 40 0 FGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 ZINC000225299675 497059434 /nfs/dbraw/zinc/05/94/34/497059434.db2.gz BUASGRWDMFHUSN-UHFFFAOYSA-N 1 1 373.416 3.220 40 0 FGABMO Cc1cccc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)oc12 ZINC000226035344 497080757 /nfs/dbraw/zinc/08/07/57/497080757.db2.gz GKYIIGZLONVQLL-UHFFFAOYSA-N 1 1 362.429 3.059 40 0 FGABMO Cc1cc(-c2cnc(N3CC[N@H+]4CCC[C@H]4C3)nc2-c2cccs2)on1 ZINC000253599993 497345263 /nfs/dbraw/zinc/34/52/63/497345263.db2.gz BOGRBGYMYWSEAW-AWEZNQCLSA-N 1 1 367.478 3.453 40 0 FGABMO COc1cccc(F)c1C[N@@H+]1CCC[C@H]1c1cccc(CNC(C)=O)n1 ZINC000257210713 497390343 /nfs/dbraw/zinc/39/03/43/497390343.db2.gz BVVFXGHSOUASPH-IBGZPJMESA-N 1 1 357.429 3.203 40 0 FGABMO COc1cccc(F)c1C[N@H+]1CCC[C@H]1c1cccc(CNC(C)=O)n1 ZINC000257210713 497390349 /nfs/dbraw/zinc/39/03/49/497390349.db2.gz BVVFXGHSOUASPH-IBGZPJMESA-N 1 1 357.429 3.203 40 0 FGABMO C[N@H+](Cc1ccc(OCCF)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257212998 497390723 /nfs/dbraw/zinc/39/07/23/497390723.db2.gz CFTVXMMKVNSIHM-LJQANCHMSA-N 1 1 356.441 3.483 40 0 FGABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000257214080 497391627 /nfs/dbraw/zinc/39/16/27/497391627.db2.gz CKLDIGJYAVIGIJ-NRFANRHFSA-N 1 1 354.450 3.051 40 0 FGABMO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3cn(C)cn3)CC2)nc(C)n1 ZINC000257217367 497392086 /nfs/dbraw/zinc/39/20/86/497392086.db2.gz CYQNSJJGFKAEQJ-UHFFFAOYSA-N 1 1 366.469 3.170 40 0 FGABMO Cc1ncsc1C[N@@H+]1CCC[C@H](c2nc(C)cc(-c3nccn3C)n2)C1 ZINC000257227863 497393139 /nfs/dbraw/zinc/39/31/39/497393139.db2.gz FRGWSSCCQGFTND-HNNXBMFYSA-N 1 1 368.510 3.330 40 0 FGABMO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)CN(C)C)C2)[nH+]1 ZINC000257225779 497393787 /nfs/dbraw/zinc/39/37/87/497393787.db2.gz FHTKTNBGVFAUCC-OAHLLOKOSA-N 1 1 356.445 3.150 40 0 FGABMO Fc1ccccc1C[N@H+]1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257291840 497399879 /nfs/dbraw/zinc/39/98/79/497399879.db2.gz QIVDPSITIOXHQF-HNNXBMFYSA-N 1 1 351.429 3.461 40 0 FGABMO O=C(Cc1ccccc1)N1CC[C@@H]2[C@H](C1)CCCC[N@H+]2CC1CCOCC1 ZINC000257308167 497401963 /nfs/dbraw/zinc/40/19/63/497401963.db2.gz TVRLXIOKJWUWDW-FCHUYYIVSA-N 1 1 370.537 3.359 40 0 FGABMO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)s1 ZINC000257336143 497405008 /nfs/dbraw/zinc/40/50/08/497405008.db2.gz YNJNDIYQCSUDDE-ZDUSSCGKSA-N 1 1 355.471 3.088 40 0 FGABMO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)s1 ZINC000257336143 497405014 /nfs/dbraw/zinc/40/50/14/497405014.db2.gz YNJNDIYQCSUDDE-ZDUSSCGKSA-N 1 1 355.471 3.088 40 0 FGABMO Cn1ccc(C(=O)N2CCC[C@@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)n1 ZINC000306131830 498739119 /nfs/dbraw/zinc/73/91/19/498739119.db2.gz KQMDFIINFCPDLX-LJQANCHMSA-N 1 1 372.432 3.107 40 0 FGABMO Fc1cccnc1OCC[C@H]1Cn2cccc2C[N@H+](C2CCOCC2)C1 ZINC000585095251 507566976 /nfs/dbraw/zinc/56/69/76/507566976.db2.gz JXAFGNDZRRJAAD-INIZCTEOSA-N 1 1 359.445 3.102 40 0 FGABMO Cc1ccc(C2(C(=O)N3CCC[C@@]4(CC[N@H+]4C[C@@H]4CCCO4)C3)CC2)cc1 ZINC000585102051 507567865 /nfs/dbraw/zinc/56/78/65/507567865.db2.gz OPSRTHRDMXKSCO-RBBKRZOGSA-N 1 1 368.521 3.273 40 0 FGABMO C[N@H+]1CCN(Cc2cncs2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000585261157 507579965 /nfs/dbraw/zinc/57/99/65/507579965.db2.gz UQDWREQTYJBZJL-MRXNPFEDSA-N 1 1 352.507 3.298 40 0 FGABMO CN1CC[N@H+](Cc2cncs2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000585261157 507579971 /nfs/dbraw/zinc/57/99/71/507579971.db2.gz UQDWREQTYJBZJL-MRXNPFEDSA-N 1 1 352.507 3.298 40 0 FGABMO CN1CC[N@@H+](Cc2cncs2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000585261157 507579975 /nfs/dbraw/zinc/57/99/75/507579975.db2.gz UQDWREQTYJBZJL-MRXNPFEDSA-N 1 1 352.507 3.298 40 0 FGABMO Cc1ccncc1C[N@H+]1CCC[C@@H](c2ccnc(Nc3cnccn3)c2)C1 ZINC000585182518 507580093 /nfs/dbraw/zinc/58/00/93/507580093.db2.gz XFPVNLKOMIXARD-GOSISDBHSA-N 1 1 360.465 3.120 40 0 FGABMO O=C1CCCC[C@@H]2[C@H](CC[N@@H+]2C[C@@]2(O)CC[C@H](c3ccccc3)CC2)N1 ZINC000585282294 507583560 /nfs/dbraw/zinc/58/35/60/507583560.db2.gz CXKCVNXLTOGDHQ-ITTUMRLJSA-N 1 1 356.510 3.208 40 0 FGABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](C(C)C)C[C@H]2N(C)C3=O)c1 ZINC000514290063 560030858 /nfs/dbraw/zinc/03/08/58/560030858.db2.gz RMTIJCKNMNSIFL-CTNGQTDRSA-N 1 1 366.461 3.288 40 0 biogenic,in-vitro FGABMO C[NH+]1CCN(C(=O)Cc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)CC1 ZINC000041127146 203886357 /nfs/dbraw/zinc/88/63/57/203886357.db2.gz UGSNBAXVJNHMBG-UHFFFAOYSA-N 1 1 369.852 3.465 40 0 FGABMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000005672812 204221181 /nfs/dbraw/zinc/22/11/81/204221181.db2.gz BSMSXZZANUSLQQ-GDBMZVCRSA-N 1 1 351.288 3.443 40 0 FGABMO COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@](O)(c3ccc(C)cn3)[C@@H]2C1 ZINC000036734783 204386662 /nfs/dbraw/zinc/38/66/62/204386662.db2.gz LPAQBXVYIBNNSL-LRXVAGHRSA-N 1 1 352.478 3.437 40 0 FGABMO COc1cc(C(=O)NC[C@H](c2ccccc2F)[NH+](C)C)c2ccccc2n1 ZINC000057811597 205246328 /nfs/dbraw/zinc/24/63/28/205246328.db2.gz JDCIGKMZTOISLZ-LJQANCHMSA-N 1 1 367.424 3.415 40 0 FGABMO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)nc(C)n1 ZINC000072360345 205520335 /nfs/dbraw/zinc/52/03/35/205520335.db2.gz VJZFYXXJQCUFBF-SFHVURJKSA-N 1 1 363.469 3.303 40 0 FGABMO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)nc(C)n1 ZINC000072360345 205520338 /nfs/dbraw/zinc/52/03/38/205520338.db2.gz VJZFYXXJQCUFBF-SFHVURJKSA-N 1 1 363.469 3.303 40 0 FGABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218556601 206372106 /nfs/dbraw/zinc/37/21/06/206372106.db2.gz GHGMPYFXKUZKOP-BZSNNMDCSA-N 1 1 365.882 3.014 40 0 FGABMO c1coc(C[N@H+]2C[C@H]3CN(c4ncccn4)CC[C@@]3(c3ccccc3)C2)c1 ZINC000096083306 132218662 /nfs/dbraw/zinc/21/86/62/132218662.db2.gz BHOFFDZNVARFKO-UGKGYDQZSA-N 1 1 360.461 3.350 40 0 FGABMO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]Cc3ccco3)o2)c1 ZINC000007540743 263351866 /nfs/dbraw/zinc/35/18/66/263351866.db2.gz JDIJMRXLQUTQPG-UHFFFAOYSA-N 1 1 369.373 3.403 40 0 FGABMO COc1ccccc1OCc1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000002763662 493818183 /nfs/dbraw/zinc/81/81/83/493818183.db2.gz JEXTZQCTSOIZIM-LJQANCHMSA-N 1 1 366.461 3.194 40 0 FGABMO CCN1CCN(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000006953415 493989537 /nfs/dbraw/zinc/98/95/37/493989537.db2.gz SSYHVZUNDDYWRN-UHFFFAOYSA-N 1 1 363.505 3.023 40 0 FGABMO CCc1ncc(C[N@H+]2C[C@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000072340981 494155079 /nfs/dbraw/zinc/15/50/79/494155079.db2.gz RAEYJWJNGGKLRB-JUXOCIIHSA-N 1 1 367.493 3.167 40 0 FGABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349525 494156152 /nfs/dbraw/zinc/15/61/52/494156152.db2.gz LEZLGUGRCZYHQJ-KRWDZBQOSA-N 1 1 355.457 3.079 40 0 FGABMO Cn1ccnc1C[NH+]1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 ZINC000072359735 494158219 /nfs/dbraw/zinc/15/82/19/494158219.db2.gz CVOSWUPNXAJHIB-UHFFFAOYSA-N 1 1 351.429 3.396 40 0 FGABMO Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2C)n1 ZINC000072378616 494161030 /nfs/dbraw/zinc/16/10/30/494161030.db2.gz JRLSPTJZSRAVEP-OAHLLOKOSA-N 1 1 353.451 3.318 40 0 FGABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cc(C)c(O)c(C)c4)C[C@H]32)nc1 ZINC000072392565 494162255 /nfs/dbraw/zinc/16/22/55/494162255.db2.gz AJEXAIJBQNNJCU-JQVVWYNYSA-N 1 1 352.478 3.442 40 0 FGABMO Cc1cc(Oc2ccccc2F)nc([C@@H]2CC[N@@H+](Cc3ccnn3C)C2)n1 ZINC000072384237 494162452 /nfs/dbraw/zinc/16/24/52/494162452.db2.gz UKVFMUWGMZLHNZ-OAHLLOKOSA-N 1 1 367.428 3.439 40 0 FGABMO Cc1cc(Oc2ccccc2F)nc([C@@H]2CC[N@H+](Cc3ccnn3C)C2)n1 ZINC000072384237 494162457 /nfs/dbraw/zinc/16/24/57/494162457.db2.gz UKVFMUWGMZLHNZ-OAHLLOKOSA-N 1 1 367.428 3.439 40 0 FGABMO O=c1cc([C@H]2CCC[N@@H+](Cc3ccsc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393217 494163257 /nfs/dbraw/zinc/16/32/57/494163257.db2.gz SOXTVRREHGMXIS-HNNXBMFYSA-N 1 1 352.463 3.273 40 0 FGABMO Cc1cccc(C[N@H+]2CCCC[C@H]3CN(c4ncnc5nc[nH]c54)C[C@H]32)c1 ZINC000072399189 494163818 /nfs/dbraw/zinc/16/38/18/494163818.db2.gz FNVOTESIAURNHP-ZWKOTPCHSA-N 1 1 362.481 3.152 40 0 FGABMO Cc1cccc(C[N@@H+]2CCCC[C@H]3CN(c4ncnc5[nH]cnc54)C[C@H]32)c1 ZINC000072399189 494163822 /nfs/dbraw/zinc/16/38/22/494163822.db2.gz FNVOTESIAURNHP-ZWKOTPCHSA-N 1 1 362.481 3.152 40 0 FGABMO Cc1cccc(C[N@H+]2CCCC[C@H]3CN(c4ncnc5[nH]cnc54)C[C@H]32)c1 ZINC000072399189 494163827 /nfs/dbraw/zinc/16/38/27/494163827.db2.gz FNVOTESIAURNHP-ZWKOTPCHSA-N 1 1 362.481 3.152 40 0 FGABMO CCCOc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1nccn1C)C2 ZINC000012117024 494205781 /nfs/dbraw/zinc/20/57/81/494205781.db2.gz KEZNMZKTSSOTKA-HTZLVSCSSA-N 1 1 355.482 3.224 40 0 FGABMO Cc1cc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(C)s1 ZINC000012122607 494207425 /nfs/dbraw/zinc/20/74/25/494207425.db2.gz PWJXYNPQLHBIDN-UHFFFAOYSA-N 1 1 352.463 3.481 40 0 FGABMO C[NH+](C)[C@@H](CNC(=O)Cn1ccc2ccc(F)cc21)c1ccccc1F ZINC000012148449 494209627 /nfs/dbraw/zinc/20/96/27/494209627.db2.gz SWWHFTZBVXGING-IBGZPJMESA-N 1 1 357.404 3.339 40 0 FGABMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2OC[C@@H]2CCCO2)C1 ZINC000012241347 494217203 /nfs/dbraw/zinc/21/72/03/494217203.db2.gz NENIBONWCBTBBS-UNMCSNQZSA-N 1 1 353.462 3.338 40 0 FGABMO O[C@H](C[NH+]1CCC(O)(c2ccccc2F)CC1)c1ccc(F)c(F)c1 ZINC000012327736 494225878 /nfs/dbraw/zinc/22/58/78/494225878.db2.gz HWEBRXGFULNVDY-GOSISDBHSA-N 1 1 351.368 3.121 40 0 FGABMO Fc1cccc(C[NH+]2CCC(c3noc(-c4cnccn4)n3)CC2)c1F ZINC000012337349 494225927 /nfs/dbraw/zinc/22/59/27/494225927.db2.gz ACHUGKMKUXAGHU-UHFFFAOYSA-N 1 1 357.364 3.184 40 0 FGABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019287691 494439554 /nfs/dbraw/zinc/43/95/54/494439554.db2.gz OOXODYDHBZGOHY-YOEHRIQHSA-N 1 1 351.454 3.110 40 0 FGABMO Cn1cc(CN2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1 ZINC000019290715 494440932 /nfs/dbraw/zinc/44/09/32/494440932.db2.gz FKFHFZVSUMTRTC-UHFFFAOYSA-N 1 1 354.498 3.058 40 0 FGABMO CC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)no2)CC1 ZINC000019496769 494446348 /nfs/dbraw/zinc/44/63/48/494446348.db2.gz RTFXRUONLCABEP-SFHVURJKSA-N 1 1 368.481 3.321 40 0 FGABMO CCn1c(CCC(=O)NCC[N@@H+](C)C2CCCCC2)nc2ccccc21 ZINC000019524286 494448047 /nfs/dbraw/zinc/44/80/47/494448047.db2.gz GGGLHSPHUZYTNZ-UHFFFAOYSA-N 1 1 356.514 3.370 40 0 FGABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000019575924 494451527 /nfs/dbraw/zinc/45/15/27/494451527.db2.gz ZIENODVQWPXTOT-NWANDNLSSA-N 1 1 364.848 3.378 40 0 FGABMO COc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)cn1 ZINC000019665109 494453607 /nfs/dbraw/zinc/45/36/07/494453607.db2.gz NDCXRUPAYGIJDT-SFHVURJKSA-N 1 1 357.429 3.186 40 0 FGABMO CC[N@@H+](C)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)C2(C1)CCCCC2 ZINC000019704918 494455473 /nfs/dbraw/zinc/45/54/73/494455473.db2.gz DJUIPWZGTUVHCG-INIZCTEOSA-N 1 1 354.491 3.243 40 0 FGABMO COc1cc(-c2nnc([C@H]([NH3+])c3ccc(Cl)cc3)[nH]2)cc(OC)c1OC ZINC000095533944 494989199 /nfs/dbraw/zinc/98/91/99/494989199.db2.gz FWJZAZIKYSTMCT-OAHLLOKOSA-N 1 1 374.828 3.199 40 0 FGABMO COc1cccc(NCCc2nnc([C@H]([NH3+])c3ccc(Cl)cc3)[nH]2)c1 ZINC000095533980 494989802 /nfs/dbraw/zinc/98/98/02/494989802.db2.gz KNXCACUMLPCJNQ-QGZVFWFLSA-N 1 1 357.845 3.169 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)cc1 ZINC000096048662 494999876 /nfs/dbraw/zinc/99/98/76/494999876.db2.gz PZNUNHMQWGDSHP-QFIPXVFZSA-N 1 1 365.477 3.105 40 0 FGABMO Cc1cncc(C(=O)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccco4)[C@@H]3C2)c1 ZINC000096054588 495000287 /nfs/dbraw/zinc/00/02/87/495000287.db2.gz ZYPHREITWGMBIL-DBVUQKKJSA-N 1 1 353.466 3.356 40 0 FGABMO CC(C)[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228736 495007507 /nfs/dbraw/zinc/00/75/07/495007507.db2.gz VVHIYJKMENPWBG-OAQYLSRUSA-N 1 1 355.482 3.131 40 0 FGABMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccc[nH]4)C3)C2)c1 ZINC000096215625 495007993 /nfs/dbraw/zinc/00/79/93/495007993.db2.gz AAUFDWDIEWHLSZ-NRFANRHFSA-N 1 1 353.466 3.152 40 0 FGABMO O=C(Nc1ccc(F)cc1)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259326 495008418 /nfs/dbraw/zinc/00/84/18/495008418.db2.gz PRWFTDCNSHHHMM-UHFFFAOYSA-N 1 1 357.433 3.056 40 0 FGABMO Cc1cccc(NC(=O)N2CCCn3cnc(C[N@@H+](C)C(C)C)c3C2)c1 ZINC000096259251 495008458 /nfs/dbraw/zinc/00/84/58/495008458.db2.gz RWXVQWOXLTXGNX-UHFFFAOYSA-N 1 1 355.486 3.470 40 0 FGABMO Cc1cccc(NC(=O)N2CCCn3cnc(C[N@H+](C)C(C)C)c3C2)c1 ZINC000096259251 495008461 /nfs/dbraw/zinc/00/84/61/495008461.db2.gz RWXVQWOXLTXGNX-UHFFFAOYSA-N 1 1 355.486 3.470 40 0 FGABMO Cc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)nc(N(C)C)c3C2)cc1 ZINC000096253967 495008721 /nfs/dbraw/zinc/00/87/21/495008721.db2.gz AGALVYODFPXDHW-UHFFFAOYSA-N 1 1 351.498 3.010 40 0 FGABMO Cc1ccc(C[N@H+]2CCc3nc(N4CCCC4)nc(N(C)C)c3C2)cc1 ZINC000096253967 495008722 /nfs/dbraw/zinc/00/87/22/495008722.db2.gz AGALVYODFPXDHW-UHFFFAOYSA-N 1 1 351.498 3.010 40 0 FGABMO COc1cc2c(cc1OC)[C@H](C)N([C@@H]1CCC[N@@H+](C[C@H]3CCOC3)C1)CC2 ZINC000253588977 497344062 /nfs/dbraw/zinc/34/40/62/497344062.db2.gz CTQLUGWXNRBAFM-YQVWRLOYSA-N 1 1 374.525 3.124 40 0 FGABMO Cc1cnc([C@@H]2CCCN(C(=O)CC[N@H+](C)Cc3ccccn3)C2)s1 ZINC000257202419 497390842 /nfs/dbraw/zinc/39/08/42/497390842.db2.gz ALRXSAVBYZESGB-MRXNPFEDSA-N 1 1 358.511 3.075 40 0 FGABMO Cc1nc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)sc1C ZINC000257249935 497395678 /nfs/dbraw/zinc/39/56/78/497395678.db2.gz JKIGJKRWOPMQFY-AWEZNQCLSA-N 1 1 369.498 3.396 40 0 FGABMO Cc1nc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)sc1C ZINC000257249935 497395683 /nfs/dbraw/zinc/39/56/83/497395683.db2.gz JKIGJKRWOPMQFY-AWEZNQCLSA-N 1 1 369.498 3.396 40 0 FGABMO Cc1ncsc1C[N@H+]1CCC[C@H](c2nc(C)cc(-c3ncc[nH]3)n2)C1 ZINC000257285720 497399823 /nfs/dbraw/zinc/39/98/23/497399823.db2.gz PILRLYXGYHVKHR-AWEZNQCLSA-N 1 1 354.483 3.320 40 0 FGABMO COC(=O)c1ccc(C)c(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000260739864 497406143 /nfs/dbraw/zinc/40/61/43/497406143.db2.gz QCCUFOOCZMHVHQ-AWEZNQCLSA-N 1 1 363.527 3.190 40 0 FGABMO c1csc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccnc4)C2)OC3)c1 ZINC000306127503 498738849 /nfs/dbraw/zinc/73/88/49/498738849.db2.gz GAEMBYISXYIDGC-LJQANCHMSA-N 1 1 352.463 3.182 40 0 FGABMO c1ccc(C[N@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 ZINC000306133190 498740482 /nfs/dbraw/zinc/74/04/82/498740482.db2.gz MEPIFNKOSHINJH-SFHVURJKSA-N 1 1 356.433 3.176 40 0 FGABMO CCOC[C@H]1CC[N@@H+](CC2CC2)C2(CN(C(=O)c3cc(C)nc(C)c3)C2)C1 ZINC000306137384 498741053 /nfs/dbraw/zinc/74/10/53/498741053.db2.gz QUZBAERCXANCEC-IBGZPJMESA-N 1 1 371.525 3.052 40 0 FGABMO c1ccc(CN2C[C@@]3(CC[N@@H+](Cc4ccncc4)C3)c3ncccc32)nc1 ZINC000306145049 498743501 /nfs/dbraw/zinc/74/35/01/498743501.db2.gz ZWBQWKFXPCZHJN-QFIPXVFZSA-N 1 1 357.461 3.036 40 0 FGABMO c1ccc(C[N@@H+]2C[C@H]3CN(c4ccc(-c5cccnc5)nn4)C[C@H]3C2)cc1 ZINC000409426238 499596363 /nfs/dbraw/zinc/59/63/63/499596363.db2.gz DVCXFCHGBNALLS-BGYRXZFFSA-N 1 1 357.461 3.107 40 0 FGABMO Cc1cc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)c(C)o1 ZINC000481859887 501900868 /nfs/dbraw/zinc/90/08/68/501900868.db2.gz AWXBJESYWMHIMD-SJLPKXTDSA-N 1 1 360.479 3.201 40 0 FGABMO CCCn1cc(C[N@H+]2CCC[C@](O)(COc3ccc(C)c(C)c3)C2)cn1 ZINC000585273702 507582115 /nfs/dbraw/zinc/58/21/15/507582115.db2.gz XKIUFZRQGQZZBY-OAQYLSRUSA-N 1 1 357.498 3.316 40 0 FGABMO O[C@]1(COc2ccc(F)c(F)c2)COCC[N@H+](C2CCCCCC2)C1 ZINC000585284072 507583672 /nfs/dbraw/zinc/58/36/72/507583672.db2.gz UQOHGVSYJONBQG-IBGZPJMESA-N 1 1 355.425 3.130 40 0 FGABMO CC1(C)CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(F)c3F)C2)CC1 ZINC000585288131 507586227 /nfs/dbraw/zinc/58/62/27/507586227.db2.gz XGTMOUYBGSQJOB-PXNSSMCTSA-N 1 1 369.452 3.110 40 0 FGABMO OCC[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624289072 571145769 /nfs/dbraw/zinc/14/57/69/571145769.db2.gz DBOAYYGZVBRDJX-ZWKOTPCHSA-N 1 1 373.324 3.260 40 0 FGABMO CSc1ncc(C(=O)N2CC[NH+]([C@H](C)c3ccc(C)cc3)CC2)cn1 ZINC000036741154 205020429 /nfs/dbraw/zinc/02/04/29/205020429.db2.gz LNDBJKNPPPUBSW-OAHLLOKOSA-N 1 1 356.495 3.026 40 0 FGABMO c1c(CC2([NH2+]Cc3cnc4ccccc4c3)COC2)noc1-c1ccccn1 ZINC000072321941 205030743 /nfs/dbraw/zinc/03/07/43/205030743.db2.gz FURSHPRMXIVJQW-UHFFFAOYSA-N 1 1 372.428 3.386 40 0 biogenic,in-vitro FGABMO O=C(CCc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276265 205146094 /nfs/dbraw/zinc/14/60/94/205146094.db2.gz CQADWHGJIQJURN-UHFFFAOYSA-N 1 1 372.896 3.421 40 0 FGABMO Cc1ccc(C[N@H+]2CC[C@@H]3OCCN(C(=O)c4ccco4)[C@H]3C2)cc1C ZINC000108534325 206033871 /nfs/dbraw/zinc/03/38/71/206033871.db2.gz JZAVPGAYBUNIBI-OALUTQOASA-N 1 1 354.450 3.012 40 0 FGABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019499515 206325966 /nfs/dbraw/zinc/32/59/66/206325966.db2.gz HACNUGHROFYGAD-LJQANCHMSA-N 1 1 370.545 3.333 40 0 FGABMO CC(C)C[C@@H](c1nnnn1C(C)(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019446787 206326866 /nfs/dbraw/zinc/32/68/66/206326866.db2.gz YKNXQXREOPBJMI-IBGZPJMESA-N 1 1 370.545 3.333 40 0 FGABMO CCOc1cc(C[NH2+]CCN(C)C)c(Br)cc1OC(C)C ZINC000022945085 206335291 /nfs/dbraw/zinc/33/52/91/206335291.db2.gz CEQRZAMHOFPJND-UHFFFAOYSA-N 1 1 359.308 3.286 40 0 FGABMO CCOC[C@@]1([NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218554049 206372088 /nfs/dbraw/zinc/37/20/88/206372088.db2.gz JXVIQCKIXQWPEJ-OKZBNKHCSA-N 1 1 365.882 3.014 40 0 FGABMO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000072358583 494157000 /nfs/dbraw/zinc/15/70/00/494157000.db2.gz AWDTVYYWYIEXNU-LJQANCHMSA-N 1 1 373.460 3.017 40 0 FGABMO Cn1cc(C[N@H+]2CCC[C@@H](c3nccnc3-c3ccccc3F)C2)cn1 ZINC000072359054 494157261 /nfs/dbraw/zinc/15/72/61/494157261.db2.gz ZCSYABASUBCBGQ-MRXNPFEDSA-N 1 1 351.429 3.396 40 0 FGABMO Cn1cc(C[N@H+]2CCC[C@H](c3nccnc3-c3cccc(F)c3)C2)cn1 ZINC000072359055 494157402 /nfs/dbraw/zinc/15/74/02/494157402.db2.gz JBMOMZHHQROTGJ-KRWDZBQOSA-N 1 1 351.429 3.396 40 0 FGABMO Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)C(C)(C)O)[nH+]1 ZINC000072372608 494159427 /nfs/dbraw/zinc/15/94/27/494159427.db2.gz QODIAXWPVOQQPK-INIZCTEOSA-N 1 1 358.417 3.102 40 0 FGABMO CSc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cn1 ZINC000012238098 494215795 /nfs/dbraw/zinc/21/57/95/494215795.db2.gz ZNJLKKXFDWBUCS-RTHVDDQRSA-N 1 1 359.470 3.352 40 0 FGABMO CSc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cn1 ZINC000012238098 494215797 /nfs/dbraw/zinc/21/57/97/494215797.db2.gz ZNJLKKXFDWBUCS-RTHVDDQRSA-N 1 1 359.470 3.352 40 0 FGABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccn1 ZINC000012365842 494227792 /nfs/dbraw/zinc/22/77/92/494227792.db2.gz SEYSFPTUOOVIPS-RDJZCZTQSA-N 1 1 356.495 3.131 40 0 FGABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccn1 ZINC000012365841 494227868 /nfs/dbraw/zinc/22/78/68/494227868.db2.gz SEYSFPTUOOVIPS-NVXWUHKLSA-N 1 1 356.495 3.131 40 0 FGABMO COc1cc(C)c(C[N@H+]2CCc3nc4ccsc4c(=O)n3CC2)cc1C ZINC000012757576 494254924 /nfs/dbraw/zinc/25/49/24/494254924.db2.gz YTFKWJDSHRSFMW-UHFFFAOYSA-N 1 1 369.490 3.142 40 0 FGABMO COc1cc(C)c(C[N@@H+]2CCc3nc4ccsc4c(=O)n3CC2)cc1C ZINC000012757576 494254926 /nfs/dbraw/zinc/25/49/26/494254926.db2.gz YTFKWJDSHRSFMW-UHFFFAOYSA-N 1 1 369.490 3.142 40 0 FGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000013647514 494291441 /nfs/dbraw/zinc/29/14/41/494291441.db2.gz GUXBFDKHSYAIAF-MRXNPFEDSA-N 1 1 364.486 3.097 40 0 FGABMO C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014400645 494317291 /nfs/dbraw/zinc/31/72/91/494317291.db2.gz ODFZGYZDMCOEGA-MRXNPFEDSA-N 1 1 358.869 3.452 40 0 FGABMO c1cnc2cccc(C[N@H+]3CC[C@H](c4nnc(-c5cnccn5)o4)C3)c2c1 ZINC000019293250 494441038 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COc1ccc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc1CO ZINC000019559321 494449368 /nfs/dbraw/zinc/44/93/68/494449368.db2.gz PMYUKQIMGRQRMA-KRWDZBQOSA-N 1 1 351.450 3.443 40 0 FGABMO Cc1cc(C[N@@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)cc(C)c1O ZINC000019570035 494450352 /nfs/dbraw/zinc/45/03/52/494450352.db2.gz GKVQENNNRDIGCV-UHFFFAOYSA-N 1 1 362.433 3.125 40 0 FGABMO Cc1cc(C[N@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)cc(C)c1O ZINC000019570035 494450358 /nfs/dbraw/zinc/45/03/58/494450358.db2.gz GKVQENNNRDIGCV-UHFFFAOYSA-N 1 1 362.433 3.125 40 0 FGABMO Cc1nc(-c2cncnc2[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)no1 ZINC000019693790 494454532 /nfs/dbraw/zinc/45/45/32/494454532.db2.gz HEVZDHBFWWWYQR-CQSZACIVSA-N 1 1 355.829 3.478 40 0 FGABMO Fc1ccc(C[NH2+]C2(Cc3cc(COc4ccccc4)on3)COC2)cc1 ZINC000067898162 494687177 /nfs/dbraw/zinc/68/71/77/494687177.db2.gz WWNNFBADLLVZTH-UHFFFAOYSA-N 1 1 368.408 3.494 40 0 biogenic,in-vitro FGABMO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCC(N2CCN(Cc3ccccc3)CC2)CC1 ZINC000095532315 494989104 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3.331 40 0 biogenic,in-vitro FGABMO Cc1noc(C)c1CN1C[C@@]2(CCC[N@H+]([C@H](C)c3ccccc3)C2)C1=O ZINC000585099406 507566055 /nfs/dbraw/zinc/56/60/55/507566055.db2.gz ILEJYFKDIYPCKY-IERDGZPVSA-N 1 1 353.466 3.477 40 0 FGABMO Cc1ccc(C2(C(=O)N3CCC[C@@]4(CC[N@H+]4C[C@H]4CCCO4)C3)CC2)cc1 ZINC000585102049 507567366 /nfs/dbraw/zinc/56/73/66/507567366.db2.gz OPSRTHRDMXKSCO-IFMALSPDSA-N 1 1 368.521 3.273 40 0 FGABMO C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ccc(O)cc2)CC3)C1 ZINC000585103074 507567396 /nfs/dbraw/zinc/56/73/96/507567396.db2.gz CDAIHZRRAVLUQB-YLJYHZDGSA-N 1 1 372.509 3.135 40 0 FGABMO Cc1ccccc1C[N@H+]1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104085 507570483 /nfs/dbraw/zinc/57/04/83/507570483.db2.gz IWLDMHNSYXEZDR-QFIPXVFZSA-N 1 1 368.452 3.390 40 0 FGABMO CC(C)n1cc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)cn1 ZINC000585105050 507570706 /nfs/dbraw/zinc/57/07/06/507570706.db2.gz OFYKSNISQUBFOQ-GOSISDBHSA-N 1 1 358.511 3.136 40 0 FGABMO 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FGABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3nc(CC)cc(=O)[nH]3)C2)cc1OC ZINC000019522503 494447340 /nfs/dbraw/zinc/44/73/40/494447340.db2.gz IOHVLZHQNJBHTN-INIZCTEOSA-N 1 1 371.481 3.119 40 0 FGABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019523631 494447881 /nfs/dbraw/zinc/44/78/81/494447881.db2.gz HPWXXVIUCGCABQ-INIZCTEOSA-N 1 1 359.445 3.292 40 0 FGABMO COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)cc1CO ZINC000019559359 494448787 /nfs/dbraw/zinc/44/87/87/494448787.db2.gz CZPYGJMIDPXCNN-VXKWHMMOSA-N 1 1 366.505 3.079 40 0 FGABMO Cc1cc2nc(CCC(=O)N[C@@H](C)C[NH+]3CCCCCC3)[nH]c2c(C)c1 ZINC000019568391 494449837 /nfs/dbraw/zinc/44/98/37/494449837.db2.gz UMVKPOGWIJPNHA-KRWDZBQOSA-N 1 1 356.514 3.493 40 0 FGABMO COc1ccc2c(c1)C(=O)NC[C@H]([C@@H]1CCC[N@@H+](Cc3ccccc3)C1)O2 ZINC000019562120 494449982 /nfs/dbraw/zinc/44/99/82/494449982.db2.gz WBKXQMHJBQCHOG-DYESRHJHSA-N 1 1 366.461 3.098 40 0 FGABMO CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@@H+](CC2CC2)C1 ZINC000019580277 494451141 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CO[C@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@]12CCCO2 ZINC000257272013 497398617 /nfs/dbraw/zinc/39/86/17/497398617.db2.gz NASNGXLMIMXCFF-PZJWPPBQSA-N 1 1 354.450 3.048 40 0 FGABMO CO[C@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@]12CCCO2 ZINC000257272013 497398620 /nfs/dbraw/zinc/39/86/20/497398620.db2.gz NASNGXLMIMXCFF-PZJWPPBQSA-N 1 1 354.450 3.048 40 0 FGABMO CCOc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(CNC(C)=O)n1 ZINC000257322658 497403815 /nfs/dbraw/zinc/40/38/15/497403815.db2.gz WGWTZNQQQFOGBP-FQEVSTJZSA-N 1 1 353.466 3.454 40 0 FGABMO CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@]3(F)CN(c4ccccn4)C(=O)[C@]3(F)C2)CC1 ZINC000306130652 498737909 /nfs/dbraw/zinc/73/79/09/498737909.db2.gz JMHKUIRWOUCULK-CPLUKWAASA-N 1 1 361.436 3.153 40 0 FGABMO CC1=C[C@H](C)[C@H](C[N@H+]2C[C@]3(F)CN(c4ccccn4)C(=O)[C@]3(F)C2)CC1 ZINC000306130652 498737915 /nfs/dbraw/zinc/73/79/15/498737915.db2.gz JMHKUIRWOUCULK-CPLUKWAASA-N 1 1 361.436 3.153 40 0 FGABMO c1csc(C[N@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)n1 ZINC000306126603 498738256 /nfs/dbraw/zinc/73/82/56/498738256.db2.gz DZXUAKSPKCWPPQ-HXUWFJFHSA-N 1 1 363.490 3.097 40 0 FGABMO c1csc(C[N@@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)n1 ZINC000306126603 498738263 /nfs/dbraw/zinc/73/82/63/498738263.db2.gz DZXUAKSPKCWPPQ-HXUWFJFHSA-N 1 1 363.490 3.097 40 0 FGABMO COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4ccccn4)C[C@@H]2C3)cc1 ZINC000306126259 498738319 /nfs/dbraw/zinc/73/83/19/498738319.db2.gz DQYZLQZDJUSFPC-ZWKOTPCHSA-N 1 1 360.461 3.258 40 0 FGABMO CC(C)(C)OC(=O)N1CCC2(C[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000306131588 498738639 /nfs/dbraw/zinc/73/86/39/498738639.db2.gz KJHMNIXGSDVOAX-SFHVURJKSA-N 1 1 360.498 3.128 40 0 FGABMO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccoc4)C2)OC3)cc1 ZINC000306128957 498739080 /nfs/dbraw/zinc/73/90/80/498739080.db2.gz HPFNFMALHMIIRN-HXUWFJFHSA-N 1 1 353.397 3.457 40 0 FGABMO c1coc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306128899 498739139 /nfs/dbraw/zinc/73/91/39/498739139.db2.gz HNWSOQOBUNAJEE-MRXNPFEDSA-N 1 1 351.454 3.302 40 0 FGABMO c1ccc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)nc1 ZINC000306135308 498739941 /nfs/dbraw/zinc/73/99/41/498739941.db2.gz ONDGALBWKONZBB-KRWDZBQOSA-N 1 1 362.481 3.104 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]2N1Cc1cccs1 ZINC000306140234 498740769 /nfs/dbraw/zinc/74/07/69/498740769.db2.gz UNPOSGJUYSMAAO-ROUUACIJSA-N 1 1 353.447 3.224 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccco3)C[C@@H]2N1Cc1cccs1 ZINC000306140234 498740778 /nfs/dbraw/zinc/74/07/78/498740778.db2.gz UNPOSGJUYSMAAO-ROUUACIJSA-N 1 1 353.447 3.224 40 0 FGABMO COc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccco4)C2)OC3)c1 ZINC000306137152 498741148 /nfs/dbraw/zinc/74/11/48/498741148.db2.gz QMUNTTMMKSXYRF-OAQYLSRUSA-N 1 1 365.433 3.327 40 0 FGABMO Cc1cccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(Cc4ccccc4)C3)C2)c1 ZINC000585103591 507571250 /nfs/dbraw/zinc/57/12/50/507571250.db2.gz DREBCVBJHYFEAV-QHCPKHFHSA-N 1 1 364.489 3.246 40 0 FGABMO Fc1cccc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)c1 ZINC000585105488 507571953 /nfs/dbraw/zinc/57/19/53/507571953.db2.gz XRQJMOHEZBBNNN-SFHVURJKSA-N 1 1 351.487 3.329 40 0 FGABMO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2cc(-c3nccn3C)nc(C)n2)C1 ZINC000585178829 507580079 /nfs/dbraw/zinc/58/00/79/507580079.db2.gz GWOKQHSJAVYODC-OAHLLOKOSA-N 1 1 368.510 3.330 40 0 FGABMO CCCc1ncc(C[N@H+]2CCCC[C@@H]2CCNC(=O)C2CCCC2)cn1 ZINC000019746202 521555425 /nfs/dbraw/zinc/55/54/25/521555425.db2.gz CHXZJMQGBJRYIN-LJQANCHMSA-N 1 1 358.530 3.480 40 0 FGABMO Cc1occc1C(=O)N1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC000104962968 209262531 /nfs/dbraw/zinc/26/25/31/209262531.db2.gz CXMMVIJEVAYHJQ-MRXNPFEDSA-N 1 1 358.438 3.077 40 0 FGABMO Fc1cccc(-c2nc3c(c(NC4CC4)n2)C[N@@H+](C[C@@H]2CCOC2)CC3)c1 ZINC000096254239 209146485 /nfs/dbraw/zinc/14/64/85/209146485.db2.gz SZGJDXZONNXHSZ-AWEZNQCLSA-N 1 1 368.456 3.252 40 0 FGABMO Cc1nc(C[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)cs1 ZINC000096228214 209140746 /nfs/dbraw/zinc/14/07/46/209140746.db2.gz WRYSSRMIDWMUNB-UHFFFAOYSA-N 1 1 356.495 3.004 40 0 FGABMO COc1cccc(C[N@H+]2CC[C@]3(C2)C[C@@H](Nc2ccccn2)CCO3)c1 ZINC000096208385 209135214 /nfs/dbraw/zinc/13/52/14/209135214.db2.gz NSHKPJBYIJJWQA-GHTZIAJQSA-N 1 1 353.466 3.326 40 0 FGABMO c1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)cc1 ZINC000096208227 209135238 /nfs/dbraw/zinc/13/52/38/209135238.db2.gz LYCOYJNWBODSRW-QRVBRYPASA-N 1 1 353.466 3.069 40 0 FGABMO Cc1ccsc1C[N@H+]1CC[C@H]2OCC[C@@]2(CCNc2ncccn2)C1 ZINC000096206670 209134508 /nfs/dbraw/zinc/13/45/08/209134508.db2.gz XNYOPQCFJJNVEH-MJGOQNOKSA-N 1 1 358.511 3.330 40 0 FGABMO Cc1noc(C)c1C[NH+]1CCC2(C[C@H](N(C)Cc3ccco3)CO2)CC1 ZINC000096158677 209127895 /nfs/dbraw/zinc/12/78/95/209127895.db2.gz CRTBVDPALYSELM-KRWDZBQOSA-N 1 1 359.470 3.140 40 0 FGABMO CN1CC[N@H+](Cc2ccco2)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306126872 206664607 /nfs/dbraw/zinc/66/46/07/206664607.db2.gz FHPKKXNIJIJTQQ-LJQANCHMSA-N 1 1 365.481 3.016 40 0 FGABMO CN1CC[N@@H+](Cc2ccco2)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306126872 206664610 /nfs/dbraw/zinc/66/46/10/206664610.db2.gz FHPKKXNIJIJTQQ-LJQANCHMSA-N 1 1 365.481 3.016 40 0 FGABMO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)n1 ZINC000096065113 209105896 /nfs/dbraw/zinc/10/58/96/209105896.db2.gz FDAYYKGHUTYEEY-PKOBYXMFSA-N 1 1 359.495 3.126 40 0 FGABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)n1 ZINC000096065113 209105899 /nfs/dbraw/zinc/10/58/99/209105899.db2.gz FDAYYKGHUTYEEY-PKOBYXMFSA-N 1 1 359.495 3.126 40 0 FGABMO C=Cn1ncc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)c1C ZINC000012187413 207346489 /nfs/dbraw/zinc/34/64/89/207346489.db2.gz NLHQBHVQXKGURY-SFHVURJKSA-N 1 1 355.438 3.202 40 0 FGABMO C=Cn1ncc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)c1C ZINC000012187413 207346492 /nfs/dbraw/zinc/34/64/92/207346492.db2.gz NLHQBHVQXKGURY-SFHVURJKSA-N 1 1 355.438 3.202 40 0 FGABMO COc1cccc(OC)c1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ccccn1 ZINC000012089061 207337010 /nfs/dbraw/zinc/33/70/10/207337010.db2.gz AGXWLTSHHUILBB-AQKKSAQBSA-N 1 1 368.477 3.219 40 0 FGABMO COc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c1OC ZINC000012134967 207340467 /nfs/dbraw/zinc/34/04/67/207340467.db2.gz RWOAJFWWVAOVEN-QIDMFYOTSA-N 1 1 368.477 3.219 40 0 FGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000030865451 208006178 /nfs/dbraw/zinc/00/61/78/208006178.db2.gz GYBYJZMGMOETSD-HXUWFJFHSA-N 1 1 371.525 3.193 40 0 FGABMO CCc1ncc(C[N@@H+](CCCn2ccnc2)Cc2cccc(F)c2)cn1 ZINC000036740192 208172054 /nfs/dbraw/zinc/17/20/54/208172054.db2.gz HUTGRUZMZCKLHK-UHFFFAOYSA-N 1 1 353.445 3.467 40 0 FGABMO COc1ccc(C[N@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)cc1 ZINC000096058124 209105136 /nfs/dbraw/zinc/10/51/36/209105136.db2.gz ZXUKWTSDGKHTNY-AQNXPRMDSA-N 1 1 374.506 3.409 40 0 FGABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)s1 ZINC000096062427 209107140 /nfs/dbraw/zinc/10/71/40/209107140.db2.gz UIURYFJAWBQFKF-GOSISDBHSA-N 1 1 363.552 3.238 40 0 FGABMO Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccco4)[C@@H]3C2)n1 ZINC000096054584 209101935 /nfs/dbraw/zinc/10/19/35/209101935.db2.gz WNSPPFIOWBRUPQ-HQRMLTQVSA-N 1 1 353.466 3.356 40 0 FGABMO CN(Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096048044 209100658 /nfs/dbraw/zinc/10/06/58/209100658.db2.gz UQNUZWDFTFDJSL-GOSISDBHSA-N 1 1 357.523 3.399 40 0 FGABMO CN(Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096048070 209101071 /nfs/dbraw/zinc/10/10/71/209101071.db2.gz FLDVUBKCBKMQGF-GOSISDBHSA-N 1 1 357.523 3.399 40 0 FGABMO CN(Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096047979 209100310 /nfs/dbraw/zinc/10/03/10/209100310.db2.gz DMWHUJZRQITVLD-IBGZPJMESA-N 1 1 357.523 3.399 40 0 FGABMO COc1cc(N2CCC[C@]3(CC[N@@H+](Cc4cc(C)c(C)o4)C3)C2)ncn1 ZINC000096216573 132222565 /nfs/dbraw/zinc/22/25/65/132222565.db2.gz BLECEKFMHKSPRP-HXUWFJFHSA-N 1 1 356.470 3.188 40 0 FGABMO C[N@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216416 494144014 /nfs/dbraw/zinc/14/40/14/494144014.db2.gz YQRHMXNHUSYCBS-KRWDZBQOSA-N 1 1 360.502 3.296 40 0 FGABMO Cn1cc(C[N@H+]2CCC[C@H](c3cccc(-c4cccc(CO)c4)n3)C2)cn1 ZINC000072349968 494155694 /nfs/dbraw/zinc/15/56/94/494155694.db2.gz HEFLSTRRWUVUKL-FQEVSTJZSA-N 1 1 362.477 3.354 40 0 FGABMO Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CC[N@@H+](Cc3ccnn3C)C2)n1 ZINC000072384230 494161642 /nfs/dbraw/zinc/16/16/42/494161642.db2.gz OCPFCQMOJHOMKB-HNNXBMFYSA-N 1 1 367.428 3.439 40 0 FGABMO Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CC[N@H+](Cc3ccnn3C)C2)n1 ZINC000072384230 494161648 /nfs/dbraw/zinc/16/16/48/494161648.db2.gz OCPFCQMOJHOMKB-HNNXBMFYSA-N 1 1 367.428 3.439 40 0 FGABMO Cc1ccc(NC(=S)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000054943092 494286441 /nfs/dbraw/zinc/28/64/41/494286441.db2.gz NOHXTFJSHUEACU-UHFFFAOYSA-N 1 1 355.507 3.314 40 0 FGABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)[C@@H]32)cc1 ZINC000019019378 494434764 /nfs/dbraw/zinc/43/47/64/494434764.db2.gz QTRVJKDNMMQZOY-YPAWHYETSA-N 1 1 365.477 3.069 40 0 FGABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccc(C)cc2)n1 ZINC000019210145 494438455 /nfs/dbraw/zinc/43/84/55/494438455.db2.gz DFGCXCHZBTYGBI-HXUWFJFHSA-N 1 1 353.466 3.465 40 0 FGABMO Cc1nc2ccccc2n1[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000019286657 494439794 /nfs/dbraw/zinc/43/97/94/494439794.db2.gz AQLZRZVJOJXQQV-HRAATJIYSA-N 1 1 362.477 3.421 40 0 FGABMO Cc1nc2ccccc2n1[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000019286657 494439799 /nfs/dbraw/zinc/43/97/99/494439799.db2.gz AQLZRZVJOJXQQV-HRAATJIYSA-N 1 1 362.477 3.421 40 0 FGABMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(OC[C@@H]3CCCO3)c2)C1 ZINC000019369771 494443179 /nfs/dbraw/zinc/44/31/79/494443179.db2.gz OGKGTIPNROVSPT-FCHUYYIVSA-N 1 1 353.462 3.338 40 0 FGABMO C[C@H]1Cc2cc([C@H](O)C[NH+]3CCN(c4ccccc4F)CC3)ccc2O1 ZINC000019498046 494446503 /nfs/dbraw/zinc/44/65/03/494446503.db2.gz NMLAPUOQBBSPBQ-MGPUTAFESA-N 1 1 356.441 3.005 40 0 FGABMO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2ccccc2F)CC1 ZINC000019528081 494447723 /nfs/dbraw/zinc/44/77/23/494447723.db2.gz RDSMHKXOJVOQGH-LJQANCHMSA-N 1 1 372.492 3.044 40 0 FGABMO Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)C2CCCCC2)[nH+]1 ZINC000019698137 494455454 /nfs/dbraw/zinc/45/54/54/494455454.db2.gz XOSVLSDYWVUUOI-NRFANRHFSA-N 1 1 370.541 3.386 40 0 FGABMO CC(C)c1nnc(CC(=O)Nc2cccc(C[N@H+]3CCCC[C@H]3C)c2)[nH]1 ZINC000019718454 494457593 /nfs/dbraw/zinc/45/75/93/494457593.db2.gz IASUWCMESKWSBO-OAHLLOKOSA-N 1 1 355.486 3.484 40 0 FGABMO CC(C)c1nc(CC(=O)Nc2cccc(C[N@@H+]3CCCC[C@H]3C)c2)n[nH]1 ZINC000019718454 494457598 /nfs/dbraw/zinc/45/75/98/494457598.db2.gz IASUWCMESKWSBO-OAHLLOKOSA-N 1 1 355.486 3.484 40 0 FGABMO CC(C)c1nc(CC(=O)Nc2cccc(C[N@H+]3CCCC[C@H]3C)c2)n[nH]1 ZINC000019718454 494457603 /nfs/dbraw/zinc/45/76/03/494457603.db2.gz IASUWCMESKWSBO-OAHLLOKOSA-N 1 1 355.486 3.484 40 0 FGABMO COc1cc(OC)cc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000022525964 494525810 /nfs/dbraw/zinc/52/58/10/494525810.db2.gz DIRTYMSBWNWDBX-UHFFFAOYSA-N 1 1 351.406 3.128 40 0 FGABMO COc1ccccc1C1([NH2+]CC(C)(C)CN2CCN(C)CC2)CCCC1 ZINC000023247888 494558662 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353.466 3.480 40 0 FGABMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)c(C)c1C ZINC000019577402 494451613 /nfs/dbraw/zinc/45/16/13/494451613.db2.gz IYSPPDPWUHSGFU-JQVVWYNYSA-N 1 1 352.478 3.437 40 0 FGABMO C[N@H+]1CCc2nc([C@H]3CCCCN3C(=O)CCc3ccccc3)ncc2C1 ZINC000019590289 494451665 /nfs/dbraw/zinc/45/16/65/494451665.db2.gz ATBCUTLYEUHENS-HXUWFJFHSA-N 1 1 364.493 3.151 40 0 FGABMO CCn1cncc1C[NH+]1CCC(c2nnsc2-c2cc(C)no2)CC1 ZINC000019578607 494451748 /nfs/dbraw/zinc/45/17/48/494451748.db2.gz LGUDYNDVVNZLAR-UHFFFAOYSA-N 1 1 358.471 3.098 40 0 FGABMO CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022587048 494528694 /nfs/dbraw/zinc/52/86/94/494528694.db2.gz JXNSNYXXAYEPMB-MIZPHKNDSA-N 1 1 369.553 3.135 40 0 FGABMO Fc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000247520918 496879103 /nfs/dbraw/zinc/87/91/03/496879103.db2.gz LJBALSGBSMVZGV-QGZVFWFLSA-N 1 1 351.487 3.329 40 0 FGABMO Cc1ncsc1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC000248009207 496942356 /nfs/dbraw/zinc/94/23/56/496942356.db2.gz FUZLGEQDECGAAJ-HKUYNNGSSA-N 1 1 359.495 3.297 40 0 FGABMO Cc1ccccc1C(=O)N1CC2(C1)CC[C@@H](C[N@H+](C)Cc1ccco1)CO2 ZINC000248072631 496951703 /nfs/dbraw/zinc/95/17/03/496951703.db2.gz BGKPCNTUQDWLRI-SFHVURJKSA-N 1 1 368.477 3.341 40 0 FGABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000248125010 496957665 /nfs/dbraw/zinc/95/76/65/496957665.db2.gz OJGLYWYCPRXLMP-PWIZWCRZSA-N 1 1 374.506 3.201 40 0 FGABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1ccc(Cl)cc1 ZINC000224161569 497046924 /nfs/dbraw/zinc/04/69/24/497046924.db2.gz LJLIOHMXYNYUPU-UHFFFAOYSA-N 1 1 374.868 3.315 40 0 FGABMO S=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)Nc1ncccn1 ZINC000225216758 497058588 /nfs/dbraw/zinc/05/85/88/497058588.db2.gz HSIJDVQIKVDUGP-UHFFFAOYSA-N 1 1 372.885 3.467 40 0 FGABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1c[nH]c3ccccc13)C2 ZINC000225494147 497064765 /nfs/dbraw/zinc/06/47/65/497064765.db2.gz ZYBLVOVGXCTLBS-SFHVURJKSA-N 1 1 350.466 3.074 40 0 biogenic,in-vitro FGABMO CC(C)C[N@H+]1CCN2[C@H](CN(C(=O)c3ccc(Cl)cc3)CC2(C)C)C1 ZINC000253399420 497331941 /nfs/dbraw/zinc/33/19/41/497331941.db2.gz JDUBURPJKAJJOW-SFHVURJKSA-N 1 1 363.933 3.217 40 0 biogenic,in-vitro FGABMO CCc1ncc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cn1 ZINC000253606587 497346163 /nfs/dbraw/zinc/34/61/63/497346163.db2.gz VKTJQXSXGKQACM-NBHGPNQESA-N 1 1 355.457 3.298 40 0 FGABMO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cn(C)cn3)C2)s1 ZINC000257222256 497392417 /nfs/dbraw/zinc/39/24/17/497392417.db2.gz DSOVIARJCSSXOR-CQSZACIVSA-N 1 1 369.498 3.098 40 0 FGABMO Cc1ccsc1C[N@@H+]1CCC[C@H](Cc2cc(C(=O)N(C)C)nc(C)n2)C1 ZINC000257231184 497393941 /nfs/dbraw/zinc/39/39/41/497393941.db2.gz GFQLEWBSNYTNDS-MRXNPFEDSA-N 1 1 372.538 3.311 40 0 FGABMO C[N@@H+]1CCC[C@@H]2N(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CCC[C@@]21C ZINC000257281620 497397826 /nfs/dbraw/zinc/39/78/26/497397826.db2.gz OQDVQRCALHSFIS-ICSRJNTNSA-N 1 1 356.445 3.305 40 0 FGABMO C[N@H+]1CCC[C@@H]2N(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CCC[C@@]21C ZINC000257281620 497397831 /nfs/dbraw/zinc/39/78/31/497397831.db2.gz OQDVQRCALHSFIS-ICSRJNTNSA-N 1 1 356.445 3.305 40 0 FGABMO COc1cc(C)ccc1OCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2C ZINC000257274815 497398474 /nfs/dbraw/zinc/39/84/74/497398474.db2.gz NMTHDRKKHIQZSO-FPOVZHCZSA-N 1 1 360.498 3.248 40 0 FGABMO Cc1ncsc1C[N@H+]1CCC[C@@H](c2nc(C)cc(-c3ncc[nH]3)n2)C1 ZINC000257285721 497399037 /nfs/dbraw/zinc/39/90/37/497399037.db2.gz PILRLYXGYHVKHR-CQSZACIVSA-N 1 1 354.483 3.320 40 0 FGABMO Cc1csc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)n1 ZINC000257299660 497400372 /nfs/dbraw/zinc/40/03/72/497400372.db2.gz RQZKDRJAXQYHTF-ZDUSSCGKSA-N 1 1 355.471 3.088 40 0 FGABMO Cc1csc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)n1 ZINC000257299660 497400378 /nfs/dbraw/zinc/40/03/78/497400378.db2.gz RQZKDRJAXQYHTF-ZDUSSCGKSA-N 1 1 355.471 3.088 40 0 FGABMO Cc1nc(Nc2cc([C@H]3CC[N@H+](Cc4cc[nH]n4)C3)nc(C)n2)sc1C ZINC000257303217 497401059 /nfs/dbraw/zinc/40/10/59/497401059.db2.gz SGGKTIAFRPBXHL-AWEZNQCLSA-N 1 1 369.498 3.315 40 0 FGABMO Cc1nc(Nc2cc([C@H]3CC[N@@H+](Cc4cc[nH]n4)C3)nc(C)n2)sc1C ZINC000257303217 497401064 /nfs/dbraw/zinc/40/10/64/497401064.db2.gz SGGKTIAFRPBXHL-AWEZNQCLSA-N 1 1 369.498 3.315 40 0 FGABMO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(CNC(C)=O)c2)c(F)c1 ZINC000257311949 497402746 /nfs/dbraw/zinc/40/27/46/497402746.db2.gz ULSVNOQJRSPEGU-FQEVSTJZSA-N 1 1 357.429 3.203 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(CNC(C)=O)c2)c(F)c1 ZINC000257311949 497402750 /nfs/dbraw/zinc/40/27/50/497402750.db2.gz ULSVNOQJRSPEGU-FQEVSTJZSA-N 1 1 357.429 3.203 40 0 FGABMO COc1ccc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4ccccn4)C[C@@H]2C3)cc1 ZINC000306126258 498739267 /nfs/dbraw/zinc/73/92/67/498739267.db2.gz DQYZLQZDJUSFPC-ROUUACIJSA-N 1 1 360.461 3.258 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2N1Cc1cccs1 ZINC000306133808 498740904 /nfs/dbraw/zinc/74/09/04/498740904.db2.gz MWUIXRIZSUKCSK-OALUTQOASA-N 1 1 364.474 3.026 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]2N1Cc1cccs1 ZINC000306133808 498740911 /nfs/dbraw/zinc/74/09/11/498740911.db2.gz MWUIXRIZSUKCSK-OALUTQOASA-N 1 1 364.474 3.026 40 0 FGABMO CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408706269 499594159 /nfs/dbraw/zinc/59/41/59/499594159.db2.gz YZAMTPKMNAMCCX-NRFANRHFSA-N 1 1 368.477 3.197 40 0 FGABMO Cc1nnsc1C(=O)N1CCC[C@]12CCC[N@H+](CCC(C)C)CC2 ZINC000585100597 507567931 /nfs/dbraw/zinc/56/79/31/507567931.db2.gz PFPOOZXLSNAMQV-SFHVURJKSA-N 1 1 350.532 3.353 40 0 FGABMO CC1(C)CCC([N@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585281209 507584473 /nfs/dbraw/zinc/58/44/73/507584473.db2.gz GQKAAMAREYPPIK-HXUWFJFHSA-N 1 1 369.452 3.376 40 0 FGABMO COc1cc(C=O)ccc1OCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000217791390 522313063 /nfs/dbraw/zinc/31/30/63/522313063.db2.gz DAENIDLBSAYRIB-UHFFFAOYSA-N 1 1 354.450 3.099 40 0 FGABMO COc1ccccc1OCCc1cc([C@@H]2C[N@H+](CC(C)C)CCO2)nn1C ZINC000257330027 210000977 /nfs/dbraw/zinc/00/09/77/210000977.db2.gz XMLVIFVTRSQRPN-NRFANRHFSA-N 1 1 373.497 3.080 40 0 FGABMO COc1ccccc1OCCc1cc([C@@H]2C[N@@H+](CC(C)C)CCO2)nn1C ZINC000257330027 210000984 /nfs/dbraw/zinc/00/09/84/210000984.db2.gz XMLVIFVTRSQRPN-NRFANRHFSA-N 1 1 373.497 3.080 40 0 FGABMO COC[C@H]1C[N@@H+](C)CC12CCN(C(=O)CCc1ccc(Cl)cc1)CC2 ZINC000247960388 209919762 /nfs/dbraw/zinc/91/97/62/209919762.db2.gz DKUXOIUUNXLDIG-QGZVFWFLSA-N 1 1 364.917 3.089 40 0 FGABMO C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)N(c1ccccc1)c1ccccc1 ZINC000000793618 209376096 /nfs/dbraw/zinc/37/60/96/209376096.db2.gz CGKYPDOLMYHUJC-CYBMUJFWSA-N 1 1 365.462 3.487 40 0 FGABMO c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@H+](C3CCOCC3)C2)o1 ZINC000049169781 209333451 /nfs/dbraw/zinc/33/34/51/209333451.db2.gz XDWJPJMZJHKZSF-AWEZNQCLSA-N 1 1 352.438 3.110 40 0 biogenic,in-vitro FGABMO Fc1ccc(OCc2nnc([C@H]3CC[N@@H+](Cc4cccnc4)C3)o2)cc1 ZINC000049170405 209334844 /nfs/dbraw/zinc/33/48/44/209334844.db2.gz XGARTGSMPWXWHD-HNNXBMFYSA-N 1 1 354.385 3.172 40 0 biogenic,in-vitro FGABMO COC(=O)[C@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(=O)oc2cc(C)ccc12 ZINC000041624538 209240528 /nfs/dbraw/zinc/24/05/28/209240528.db2.gz UUXSIKWCRYNBIS-ZTFGCOKTSA-N 1 1 355.434 3.408 40 0 FGABMO COC(=O)[C@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(=O)oc2cc(C)ccc12 ZINC000041624538 209240531 /nfs/dbraw/zinc/24/05/31/209240531.db2.gz UUXSIKWCRYNBIS-ZTFGCOKTSA-N 1 1 355.434 3.408 40 0 FGABMO CCc1ccc(NC(=O)N2CCCn3cnc(C[NH+]4CCCC4)c3C2)cc1 ZINC000096259329 209146219 /nfs/dbraw/zinc/14/62/19/209146219.db2.gz RONIEJPRHVLYKZ-UHFFFAOYSA-N 1 1 367.497 3.479 40 0 FGABMO CC[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228865 209140724 /nfs/dbraw/zinc/14/07/24/209140724.db2.gz YIPRWLTUCGKHDD-QFIPXVFZSA-N 1 1 367.493 3.052 40 0 FGABMO CC(C)[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096228734 209140002 /nfs/dbraw/zinc/14/00/02/209140002.db2.gz HZSNSKFAETVRCI-OAQYLSRUSA-N 1 1 355.482 3.131 40 0 FGABMO CC(C)CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(C(C)C)cc3)C2)C1 ZINC000096225471 209139532 /nfs/dbraw/zinc/13/95/32/209139532.db2.gz KGEIRWBLXKZFOB-NRFANRHFSA-N 1 1 357.498 3.303 40 0 FGABMO c1ccc2c(c1)N(C[C@@H]1CCCO1)CC21CC[NH+](CCN2CCCC2)CC1 ZINC000096241335 209143285 /nfs/dbraw/zinc/14/32/85/209143285.db2.gz CYWVTVNIPVIPDE-FQEVSTJZSA-N 1 1 369.553 3.115 40 0 FGABMO CC[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096215791 209136662 /nfs/dbraw/zinc/13/66/62/209136662.db2.gz QFFMAWQDQWQCPV-GHTZIAJQSA-N 1 1 355.482 3.035 40 0 FGABMO Cc1cccc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)n1 ZINC000096206109 209135089 /nfs/dbraw/zinc/13/50/89/209135089.db2.gz HUYSYLMFGNBNHT-CTNGQTDRSA-N 1 1 352.482 3.268 40 0 FGABMO Cc1nc(CO[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)cs1 ZINC000096206971 209134267 /nfs/dbraw/zinc/13/42/67/209134267.db2.gz LOROKDYHJLVPNE-MOPGFXCFSA-N 1 1 359.495 3.187 40 0 FGABMO Cc1cccc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)n1 ZINC000096107299 209112996 /nfs/dbraw/zinc/11/29/96/209112996.db2.gz QRJFOLGNGCOQNA-RTWAWAEBSA-N 1 1 353.466 3.125 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)cc1 ZINC000096100387 209111732 /nfs/dbraw/zinc/11/17/32/209111732.db2.gz VQJUEBUEHMVUOB-DHIUTWEWSA-N 1 1 364.489 3.460 40 0 FGABMO O=C(CCc1cccnc1)N1CCC2(C[NH+](Cc3ccc(Cl)cc3)C2)C1 ZINC000096070772 209106409 /nfs/dbraw/zinc/10/64/09/209106409.db2.gz ZWZPLCURXRNGQW-UHFFFAOYSA-N 1 1 369.896 3.402 40 0 FGABMO Cc1ccc2c(c1)C[N@H+](C)C[C@@]1(CCCN(C(=O)Cc3ccccc3)C1)O2 ZINC000012366371 207365539 /nfs/dbraw/zinc/36/55/39/207365539.db2.gz ZBIXAIJXPJBBFR-HSZRJFAPSA-N 1 1 364.489 3.423 40 0 FGABMO Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c(C)c1 ZINC000036734368 208172587 /nfs/dbraw/zinc/17/25/87/208172587.db2.gz XOZNROPNZSVZIA-PZJWPPBQSA-N 1 1 358.526 3.451 40 0 FGABMO CN(CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000044916752 208323277 /nfs/dbraw/zinc/32/32/77/208323277.db2.gz KJKFMTOYMRPSEG-LJQANCHMSA-N 1 1 369.484 3.290 40 0 FGABMO CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1CN(Cc1ccc(OC)cc1)CCC2 ZINC000096055907 209105026 /nfs/dbraw/zinc/10/50/26/209105026.db2.gz FZGXUMGRNCMINM-UGKGYDQZSA-N 1 1 374.525 3.181 40 0 FGABMO c1cc2n(n1)C[C@@H](COCc1ccccn1)C[N@@H+](Cc1ccsc1)C2 ZINC000096059241 209105019 /nfs/dbraw/zinc/10/50/19/209105019.db2.gz UGWVQKUQSDIIFW-KRWDZBQOSA-N 1 1 354.479 3.188 40 0 FGABMO c1cc2n(n1)C[C@@H](COCc1ccccn1)C[N@H+](Cc1ccsc1)C2 ZINC000096059241 209105021 /nfs/dbraw/zinc/10/50/21/209105021.db2.gz UGWVQKUQSDIIFW-KRWDZBQOSA-N 1 1 354.479 3.188 40 0 FGABMO Cc1ccc(C[N@H+]2CC[C@]3(CC[C@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)s1 ZINC000096061288 209104364 /nfs/dbraw/zinc/10/43/64/209104364.db2.gz LCXYALRTPJNUSN-BOUXLOLZSA-N 1 1 362.539 3.342 40 0 FGABMO Cc1ccc(C[NH+]2CCC3(C[C@H](N(C)Cc4cccnc4)CO3)CC2)o1 ZINC000096047982 209100748 /nfs/dbraw/zinc/10/07/48/209100748.db2.gz XHHFMLOAVRPGOP-IBGZPJMESA-N 1 1 355.482 3.239 40 0 FGABMO Cc1ccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4cccnc4)CO3)CC2)o1 ZINC000096047983 209100674 /nfs/dbraw/zinc/10/06/74/209100674.db2.gz XHHFMLOAVRPGOP-LJQANCHMSA-N 1 1 355.482 3.239 40 0 FGABMO c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)nc1 ZINC000096040098 209098732 /nfs/dbraw/zinc/09/87/32/209098732.db2.gz ISSPGGPHHDAFOE-NHCUHLMSSA-N 1 1 353.466 3.065 40 0 FGABMO c1cncc(COC[C@@]23CCCO[C@H]2CC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096040104 209097562 /nfs/dbraw/zinc/09/75/62/209097562.db2.gz PHLHKOLRWDDKET-SFTDATJTSA-N 1 1 353.466 3.065 40 0 FGABMO Cc1noc(C)c1CCC(=O)N(C)[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257215877 132294965 /nfs/dbraw/zinc/29/49/65/132294965.db2.gz CSAURTTXASCNCR-KRWDZBQOSA-N 1 1 356.470 3.055 40 0 FGABMO CC(C)c1nc(N[C@@H](C)CO)cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]1 ZINC000329019898 132372584 /nfs/dbraw/zinc/37/25/84/132372584.db2.gz NYXFIDQVYQTSII-LSDHHAIUSA-N 1 1 370.497 3.009 40 0 FGABMO COc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000072227506 494145682 /nfs/dbraw/zinc/14/56/82/494145682.db2.gz MGHOOQFHKVRGPT-JKSUJKDBSA-N 1 1 366.339 3.138 40 0 FGABMO COCCOc1cccc(C[N@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1 ZINC000072343298 494154925 /nfs/dbraw/zinc/15/49/25/494154925.db2.gz XATJFCRVNCOWKF-NHCUHLMSSA-N 1 1 366.461 3.255 40 0 FGABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359615 494157300 /nfs/dbraw/zinc/15/73/00/494157300.db2.gz YPCHDXVIGXZTLV-OAHLLOKOSA-N 1 1 358.873 3.065 40 0 FGABMO c1ccc(CC[N@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377575 494159331 /nfs/dbraw/zinc/15/93/31/494159331.db2.gz LHFVSVKOXZQIIZ-SFHVURJKSA-N 1 1 360.465 3.432 40 0 FGABMO O=c1cc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)nc(-c2cccnc2)[nH]1 ZINC000072393048 494163356 /nfs/dbraw/zinc/16/33/56/494163356.db2.gz QLDHLSZCGKGHSP-KRWDZBQOSA-N 1 1 364.424 3.351 40 0 FGABMO O=C(C[NH+]1CCC(c2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000012113955 494204541 /nfs/dbraw/zinc/20/45/41/494204541.db2.gz OVXCLGTVPGNSGH-UHFFFAOYSA-N 1 1 356.397 3.373 40 0 FGABMO CCc1ncc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000012276708 494219098 /nfs/dbraw/zinc/21/90/98/494219098.db2.gz RAEYJWJNGGKLRB-LRXVAGHRSA-N 1 1 367.493 3.167 40 0 FGABMO Cn1c2ccc(C[N@H+](Cc3ccccc3)C[C@H]3CCCO3)cc2n(C)c1=O ZINC000013993392 494298871 /nfs/dbraw/zinc/29/88/71/494298871.db2.gz SDOMACRRJBQABF-LJQANCHMSA-N 1 1 365.477 3.058 40 0 FGABMO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3CC3CCCCC3)n2)cc1 ZINC000015674681 494364974 /nfs/dbraw/zinc/36/49/74/494364974.db2.gz IXJPYQFKYGFZRF-AEFFLSMTSA-N 1 1 357.454 3.433 40 0 biogenic,in-vitro FGABMO COc1ccc(C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)c(F)c1 ZINC000019216125 494438290 /nfs/dbraw/zinc/43/82/90/494438290.db2.gz OJFNCFNNAUZZTK-FYINFDKHSA-N 1 1 356.441 3.267 40 0 FGABMO Cc1cnc(-c2nc([C@@H]3CCC[N@H+](Cc4cccc(F)c4F)C3)no2)cn1 ZINC000019239030 494439646 /nfs/dbraw/zinc/43/96/46/494439646.db2.gz TUGYYNDBDOXFPW-CQSZACIVSA-N 1 1 371.391 3.493 40 0 FGABMO Cc1cnc(-c2nc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4F)C3)no2)cn1 ZINC000019239030 494439652 /nfs/dbraw/zinc/43/96/52/494439652.db2.gz TUGYYNDBDOXFPW-CQSZACIVSA-N 1 1 371.391 3.493 40 0 FGABMO NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019348477 494442371 /nfs/dbraw/zinc/44/23/71/494442371.db2.gz SXFYWJASYVIFAB-QHCPKHFHSA-N 1 1 372.472 3.064 40 0 FGABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2cc(C(=O)N3CCCC3)on2)C1 ZINC000019570285 494450525 /nfs/dbraw/zinc/45/05/25/494450525.db2.gz WOIBNPSQNIWXAH-MRXNPFEDSA-N 1 1 369.465 3.299 40 0 FGABMO CCc1nc(-c2cncnc2[C@@H]2C[N@H+](CC3CCCCC3)CCO2)no1 ZINC000019693684 494454814 /nfs/dbraw/zinc/45/48/14/494454814.db2.gz WSLDPGGQFXBXAA-INIZCTEOSA-N 1 1 357.458 3.043 40 0 FGABMO CCc1nc(-c2cncnc2[C@@H]2C[N@@H+](CC3CCCCC3)CCO2)no1 ZINC000019693684 494454819 /nfs/dbraw/zinc/45/48/19/494454819.db2.gz WSLDPGGQFXBXAA-INIZCTEOSA-N 1 1 357.458 3.043 40 0 FGABMO Cc1nc([C@@H]2CCC[N@@H+]2C(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019754136 494460271 /nfs/dbraw/zinc/46/02/71/494460271.db2.gz WOGZJRPGPVDBHD-SFHVURJKSA-N 1 1 356.445 3.399 40 0 FGABMO CCCCCN1c2ccccc2[C@@]2(NC(=[NH2+])Nc3nc4ccccc4n32)C1=O ZINC000020374900 494470950 /nfs/dbraw/zinc/47/09/50/494470950.db2.gz SCXNXYHCIGPMSQ-NRFANRHFSA-N 1 1 374.448 3.014 40 0 FGABMO CC[C@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022522269 494525386 /nfs/dbraw/zinc/52/53/86/494525386.db2.gz FCSQEMJKANMGMU-FQEVSTJZSA-N 1 1 356.441 3.328 40 0 FGABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COc3ccccc3)c2)CC1 ZINC000224091936 497045930 /nfs/dbraw/zinc/04/59/30/497045930.db2.gz SLQRLSKKIASMSP-UHFFFAOYSA-N 1 1 354.450 3.052 40 0 FGABMO COC(=O)c1cccc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225729715 497073089 /nfs/dbraw/zinc/07/30/89/497073089.db2.gz XAEHFFSMHXPOQL-GASCZTMLSA-N 1 1 363.527 3.128 40 0 FGABMO Fc1ccccc1C[N@H+]1CCC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257319885 497402109 /nfs/dbraw/zinc/40/21/09/497402109.db2.gz VULDZSNBYJEQOV-OAHLLOKOSA-N 1 1 351.429 3.461 40 0 FGABMO COc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccoc4)C2)OC3)cc1 ZINC000306136008 498740698 /nfs/dbraw/zinc/74/06/98/498740698.db2.gz PGJSAWQUEOMXBW-NRFANRHFSA-N 1 1 365.433 3.327 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]2N1Cc1cccs1 ZINC000306133809 498741583 /nfs/dbraw/zinc/74/15/83/498741583.db2.gz MWUIXRIZSUKCSK-RBUKOAKNSA-N 1 1 364.474 3.026 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2N1Cc1cccs1 ZINC000306133809 498741587 /nfs/dbraw/zinc/74/15/87/498741587.db2.gz MWUIXRIZSUKCSK-RBUKOAKNSA-N 1 1 364.474 3.026 40 0 FGABMO C[N@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)C3=CCCCC3)C2)OC1 ZINC000306141921 498742982 /nfs/dbraw/zinc/74/29/82/498742982.db2.gz WJZXBBGVJFIVRX-LJQANCHMSA-N 1 1 369.509 3.021 40 0 FGABMO Cc1nc(C[N@H+]2CCC3(C2)CCN(C(=O)c2ccnc(F)c2)CC3)cs1 ZINC000585099789 507565694 /nfs/dbraw/zinc/56/56/94/507565694.db2.gz ZJURLKFAZVYYFU-UHFFFAOYSA-N 1 1 374.485 3.114 40 0 FGABMO O=C(c1ccc(O)cc1)N1CCC[C@]2(CCC[N@H+]2C[C@H]2CCCO2)CC1 ZINC000585100335 507567950 /nfs/dbraw/zinc/56/79/50/507567950.db2.gz KNOSBLGIUSKMKL-CTNGQTDRSA-N 1 1 358.482 3.032 40 0 FGABMO CC(C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585103304 507568262 /nfs/dbraw/zinc/56/82/62/507568262.db2.gz BCUAZFIVCBQIJM-GOSISDBHSA-N 1 1 370.415 3.165 40 0 FGABMO CC(C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585103304 507568267 /nfs/dbraw/zinc/56/82/67/507568267.db2.gz BCUAZFIVCBQIJM-GOSISDBHSA-N 1 1 370.415 3.165 40 0 FGABMO Cc1cccc(CO[C@@H]2CSC3(C[NH+](Cc4cnn(C(C)C)c4)C3)C2)n1 ZINC000585104297 507570206 /nfs/dbraw/zinc/57/02/06/507570206.db2.gz GVGJDPCIFIYYPE-IBGZPJMESA-N 1 1 372.538 3.444 40 0 FGABMO O[C@@]1(COc2cc(F)cc(F)c2)COCC[N@H+](C2CCCCCC2)C1 ZINC000585281813 507584783 /nfs/dbraw/zinc/58/47/83/507584783.db2.gz BJYYKKWQQHNZBQ-LJQANCHMSA-N 1 1 355.425 3.130 40 0 FGABMO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3c[nH]nc3C)C2)s1 ZINC000257279767 526097769 /nfs/dbraw/zinc/09/77/69/526097769.db2.gz OICHWMRUVAULAI-AWEZNQCLSA-N 1 1 369.498 3.396 40 0 FGABMO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000257341132 210004269 /nfs/dbraw/zinc/00/42/69/210004269.db2.gz ZIXUGAKETOWPPA-MRXNPFEDSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1cc(C)nc(Nc2cc(C3CC[NH+](Cc4cc[nH]n4)CC3)ccn2)n1 ZINC000257296059 223054698 /nfs/dbraw/zinc/05/46/98/223054698.db2.gz RBBHRPUPEZUIKV-UHFFFAOYSA-N 1 1 363.469 3.335 40 0 FGABMO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000257296437 223055684 /nfs/dbraw/zinc/05/56/84/223055684.db2.gz RCVVZNIEJCKYCE-KRWDZBQOSA-N 1 1 363.469 3.037 40 0 FGABMO c1csc(CN2CCC3(CC2)[NH2+]CCn2c(-c4ccccc4)cnc23)n1 ZINC000096263408 209147518 /nfs/dbraw/zinc/14/75/18/209147518.db2.gz SNOFDBOCTCEJHZ-UHFFFAOYSA-N 1 1 365.506 3.101 40 0 FGABMO Cn1nc(C[NH+]2CCCCC2)c2c1CN(C(=O)c1ccc(Cl)cc1)C2 ZINC000096259128 209146429 /nfs/dbraw/zinc/14/64/29/209146429.db2.gz FQIWAMXRBNXICX-UHFFFAOYSA-N 1 1 358.873 3.215 40 0 FGABMO Cc1cccc(CN2CC[C@]3(CCC[N@@H+](Cc4ccsc4)C3)C2=O)n1 ZINC000096224712 209139433 /nfs/dbraw/zinc/13/94/33/209139433.db2.gz RFMNQDJSOCETHK-FQEVSTJZSA-N 1 1 355.507 3.466 40 0 FGABMO Cc1ccc(C(=O)N2CCC3(CC[C@H](COCC4CC4)[N@@H+]3C)CC2)cc1 ZINC000096208676 209136884 /nfs/dbraw/zinc/13/68/84/209136884.db2.gz PGYBJKOVVBGFHB-HXUWFJFHSA-N 1 1 356.510 3.491 40 0 FGABMO Cc1oncc1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2[N@@H+](C)Cc1cccs1 ZINC000096183111 209132065 /nfs/dbraw/zinc/13/20/65/209132065.db2.gz XFPCJLZNVOLBGH-JLSDUUJJSA-N 1 1 359.495 3.417 40 0 FGABMO COc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2=O)c1 ZINC000096077350 209108567 /nfs/dbraw/zinc/10/85/67/209108567.db2.gz NJVYCWPAIAEVQG-QFIPXVFZSA-N 1 1 368.452 3.459 40 0 FGABMO CC(C)[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 ZINC000096076225 209108351 /nfs/dbraw/zinc/10/83/51/209108351.db2.gz HZQCTQPVIPUIEW-JOCHJYFZSA-N 1 1 367.493 3.198 40 0 FGABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096065076 209107207 /nfs/dbraw/zinc/10/72/07/209107207.db2.gz UYFFQAXTGXRTJR-WOJBJXKFSA-N 1 1 357.454 3.137 40 0 FGABMO Cc1ccsc1C[N@H+]1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000096066312 209106800 /nfs/dbraw/zinc/10/68/00/209106800.db2.gz SUCXTXDTVQHTOX-UAGQMJEPSA-N 1 1 357.479 3.070 40 0 FGABMO Cc1nc(CN2CCOC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)cs1 ZINC000096062400 209106756 /nfs/dbraw/zinc/10/67/56/209106756.db2.gz PRGMHPYKINQAQH-SFHVURJKSA-N 1 1 363.552 3.238 40 0 FGABMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1Br ZINC000005636685 207108886 /nfs/dbraw/zinc/10/88/86/207108886.db2.gz ARDYYLOYCMPRGQ-CJNGLKHVSA-N 1 1 351.288 3.443 40 0 FGABMO COc1cccc(C[N@@H+](C)C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)c1 ZINC000006605238 207148861 /nfs/dbraw/zinc/14/88/61/207148861.db2.gz WSKOWHSLJSBACL-ZVDOUQERSA-N 1 1 359.510 3.497 40 0 FGABMO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](c3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000035446630 207180555 /nfs/dbraw/zinc/18/05/55/207180555.db2.gz VFDBRKORZKHPPZ-AWEZNQCLSA-N 1 1 373.453 3.095 40 0 biogenic,in-vitro FGABMO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](c3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000035446630 207180557 /nfs/dbraw/zinc/18/05/57/207180557.db2.gz VFDBRKORZKHPPZ-AWEZNQCLSA-N 1 1 373.453 3.095 40 0 biogenic,in-vitro FGABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000010544238 207302932 /nfs/dbraw/zinc/30/29/32/207302932.db2.gz IPSCAOJXRDDLQJ-QGZVFWFLSA-N 1 1 358.935 3.414 40 0 FGABMO CC(C)C(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000012089231 207337548 /nfs/dbraw/zinc/33/75/48/207337548.db2.gz KWTNRZXSRYNGQH-IAGOWNOFSA-N 1 1 358.511 3.264 40 0 FGABMO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2)Nc1ccc(F)cc1 ZINC000012113131 207338451 /nfs/dbraw/zinc/33/84/51/207338451.db2.gz XQPWJSQIUZIKOD-PMSBKCLSSA-N 1 1 372.415 3.418 40 0 FGABMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2)Nc1ccc(F)cc1 ZINC000012113131 207338454 /nfs/dbraw/zinc/33/84/54/207338454.db2.gz XQPWJSQIUZIKOD-PMSBKCLSSA-N 1 1 372.415 3.418 40 0 FGABMO CC(=O)N1Cc2ccccc2O[C@@H]([C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000012135396 207340532 /nfs/dbraw/zinc/34/05/32/207340532.db2.gz KOQHNMOEEYUCJR-SIKLNZKXSA-N 1 1 365.477 3.103 40 0 FGABMO CCCc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cn1 ZINC000012242177 207352146 /nfs/dbraw/zinc/35/21/46/207352146.db2.gz BEEDBMFQOISGFX-QIDMFYOTSA-N 1 1 367.493 3.452 40 0 FGABMO COC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038834536 208205320 /nfs/dbraw/zinc/20/53/20/208205320.db2.gz PESXULKPAHJOOP-INIZCTEOSA-N 1 1 370.424 3.463 40 0 FGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 ZINC000044932694 208322666 /nfs/dbraw/zinc/32/26/66/208322666.db2.gz LIROMSUYHZJYBI-UHFFFAOYSA-N 1 1 371.444 3.356 40 0 FGABMO COc1ccc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC000096058098 209105390 /nfs/dbraw/zinc/10/53/90/209105390.db2.gz JLYZIMSNZJAOAF-HBMCJLEFSA-N 1 1 354.450 3.039 40 0 FGABMO COc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000096051172 209102929 /nfs/dbraw/zinc/10/29/29/209102929.db2.gz HCXVSBUZVLIRMK-IBGZPJMESA-N 1 1 374.435 3.223 40 0 FGABMO COc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4ccc(C)o4)C3)C2=O)c1 ZINC000096050657 209102165 /nfs/dbraw/zinc/10/21/65/209102165.db2.gz MWNQMVHNCWFELP-NRFANRHFSA-N 1 1 354.450 3.221 40 0 FGABMO FC1(F)CC[N@@H+](Cc2cccs2)C[C@@]12CCN(c1ncccn1)C2 ZINC000096051163 209101714 /nfs/dbraw/zinc/10/17/14/209101714.db2.gz BLPHMHGAGUSMEV-MRXNPFEDSA-N 1 1 350.438 3.276 40 0 FGABMO Cc1nc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)cs1 ZINC000096039987 209098653 /nfs/dbraw/zinc/09/86/53/209098653.db2.gz AAAFICBANUMLNC-RBUKOAKNSA-N 1 1 359.495 3.297 40 0 FGABMO Cc1nc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)cs1 ZINC000096039987 209098655 /nfs/dbraw/zinc/09/86/55/209098655.db2.gz AAAFICBANUMLNC-RBUKOAKNSA-N 1 1 359.495 3.297 40 0 FGABMO Fc1cccnc1OC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccncc1)C2 ZINC000096040475 209097824 /nfs/dbraw/zinc/09/78/24/209097824.db2.gz ZBWJZMOHNWESKS-UYAOXDASSA-N 1 1 357.429 3.066 40 0 FGABMO COc1cccc(C=O)c1OCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000217790138 132272274 /nfs/dbraw/zinc/27/22/74/132272274.db2.gz UTRPOIOECYFUFL-UHFFFAOYSA-N 1 1 354.450 3.099 40 0 FGABMO Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257215878 132295193 /nfs/dbraw/zinc/29/51/93/132295193.db2.gz CSAURTTXASCNCR-QGZVFWFLSA-N 1 1 356.470 3.055 40 0 FGABMO CC(C)Nc1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329002374 132372455 /nfs/dbraw/zinc/37/24/55/132372455.db2.gz KHWFGARVJLOKLI-CQSZACIVSA-N 1 1 352.482 3.212 40 0 FGABMO CC(C)OCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220667 493780281 /nfs/dbraw/zinc/78/02/81/493780281.db2.gz HYJNJIPYSOCGRM-KRWDZBQOSA-N 1 1 352.906 3.483 40 0 FGABMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000060016381 493912153 /nfs/dbraw/zinc/91/21/53/493912153.db2.gz ZLPHSYRSKUEUAT-PZJWPPBQSA-N 1 1 362.489 3.290 40 0 FGABMO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000008040829 494062661 /nfs/dbraw/zinc/06/26/61/494062661.db2.gz WBKCBBLUNJPUOT-IBGZPJMESA-N 1 1 352.478 3.415 40 0 FGABMO C[NH+]1CCN(C(=O)Cc2cccc(-c3nc4ccccc4s3)c2)CC1 ZINC000041127642 494149065 /nfs/dbraw/zinc/14/90/65/494149065.db2.gz IMFYLQGWOJIJKK-UHFFFAOYSA-N 1 1 351.475 3.280 40 0 FGABMO COc1cccc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)c1OC ZINC000072343255 494154833 /nfs/dbraw/zinc/15/48/33/494154833.db2.gz FISKFECQXYAMAV-HKUYNNGSSA-N 1 1 352.434 3.247 40 0 FGABMO COc1cccc(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)c1OC ZINC000072343255 494154836 /nfs/dbraw/zinc/15/48/36/494154836.db2.gz FISKFECQXYAMAV-HKUYNNGSSA-N 1 1 352.434 3.247 40 0 FGABMO Cn1cc(C[N@H+]2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)cn1 ZINC000072359056 494157694 /nfs/dbraw/zinc/15/76/94/494157694.db2.gz JBMOMZHHQROTGJ-QGZVFWFLSA-N 1 1 351.429 3.396 40 0 FGABMO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCCN2C(=O)C(C)(C)O)[nH+]1 ZINC000072372609 494159137 /nfs/dbraw/zinc/15/91/37/494159137.db2.gz QODIAXWPVOQQPK-MRXNPFEDSA-N 1 1 358.417 3.102 40 0 FGABMO CC(=O)N1Cc2ccccc2O[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)C1 ZINC000019019666 494434581 /nfs/dbraw/zinc/43/45/81/494434581.db2.gz DAYGVGPYVOLATK-XMSQKQJNSA-N 1 1 365.477 3.103 40 0 FGABMO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3cc4c(cc3C)OCO4)C[C@H]21 ZINC000019237850 494439600 /nfs/dbraw/zinc/43/96/00/494439600.db2.gz FABPCOJZGWAMGB-CECAUBDESA-N 1 1 366.461 3.157 40 0 FGABMO C[C@@H]1CCC[N@H+](C2CCN(Cc3cnc(N4CCCCC4)nc3)CC2)C1 ZINC000019496488 494446570 /nfs/dbraw/zinc/44/65/70/494446570.db2.gz TYSKNXHEJJJTLP-GOSISDBHSA-N 1 1 357.546 3.163 40 0 FGABMO COc1ccc(C[NH+]2CCN(Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000019555358 494448750 /nfs/dbraw/zinc/44/87/50/494448750.db2.gz SDDROKQQADIGAH-UHFFFAOYSA-N 1 1 356.466 3.030 40 0 FGABMO COc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1Cn1nc(C)cc1C ZINC000019574401 494450513 /nfs/dbraw/zinc/45/05/13/494450513.db2.gz JRNXFJBOBMAFPX-GHTZIAJQSA-N 1 1 368.525 3.225 40 0 FGABMO CN(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCc1ccccc1C2=O ZINC000019581347 494451626 /nfs/dbraw/zinc/45/16/26/494451626.db2.gz APZGEAVGWZJPKC-OFNKIYASSA-N 1 1 362.473 3.022 40 0 FGABMO CC(=O)N1CCC[C@@H]1c1cc(N2CC[NH+](C3CCCC3)CC2)cc(C)n1 ZINC000019698253 494455323 /nfs/dbraw/zinc/45/53/23/494455323.db2.gz ZRGSPUWUHSYFTB-OAQYLSRUSA-N 1 1 356.514 3.138 40 0 FGABMO Cn1nc([C@H]2CCCN2C(=O)c2cccc3cccnc32)cc1C[NH+](C)C ZINC000019709086 494456367 /nfs/dbraw/zinc/45/63/67/494456367.db2.gz WKQHGFLXAAFQHA-LJQANCHMSA-N 1 1 363.465 3.007 40 0 FGABMO COc1ccc(O[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000022532890 494526980 /nfs/dbraw/zinc/52/69/80/494526980.db2.gz PJQWJOLGGSZCGJ-OAHLLOKOSA-N 1 1 365.433 3.273 40 0 FGABMO C[C@H]1C[C@H](OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000022588949 494528362 /nfs/dbraw/zinc/52/83/62/494528362.db2.gz SFIMEMADLNGLGG-NNWRFLSQSA-N 1 1 374.569 3.397 40 0 FGABMO CC(C)(O)c1cc(CC2([NH2+]Cc3ccc(C(F)(F)F)cc3)COC2)no1 ZINC000067897940 494687306 /nfs/dbraw/zinc/68/73/06/494687306.db2.gz BJMHXHGWKTYZID-UHFFFAOYSA-N 1 1 370.371 3.022 40 0 biogenic,in-vitro FGABMO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(OC)cc3)[nH]2)cc1OCC ZINC000095533775 494989861 /nfs/dbraw/zinc/98/98/61/494989861.db2.gz PCMNTTSVLSVYGR-SFHVURJKSA-N 1 1 368.437 3.326 40 0 FGABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(N1CCO[C@H]1c1ccc(Br)cc1)C2 ZINC000100925510 495066967 /nfs/dbraw/zinc/06/69/67/495066967.db2.gz OTGHLIKJDISSBZ-WFVVYAPDSA-N 1 1 351.288 3.405 40 0 FGABMO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3C[C@H]3CCOC3)cc2n1 ZINC000247813515 496917296 /nfs/dbraw/zinc/91/72/96/496917296.db2.gz BAZADTNOPZEOSW-OCCSQVGLSA-N 1 1 354.376 3.230 40 0 FGABMO O=C([C@@H]1C[N@H+](Cc2cccc3ccccc32)Cc2cncn21)N1CCCC1 ZINC000247884145 496924919 /nfs/dbraw/zinc/92/49/19/496924919.db2.gz WMRCLKWGJZEWSG-NRFANRHFSA-N 1 1 360.461 3.216 40 0 FGABMO O=C([C@@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2cncn21)N1CCCC1 ZINC000247884145 496924920 /nfs/dbraw/zinc/92/49/20/496924920.db2.gz WMRCLKWGJZEWSG-NRFANRHFSA-N 1 1 360.461 3.216 40 0 FGABMO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2cccc3ccccc32)Cc2ncn(C)c21 ZINC000248013297 496943091 /nfs/dbraw/zinc/94/30/91/496943091.db2.gz FNSZPXWTGALYJI-LJQANCHMSA-N 1 1 362.477 3.197 40 0 FGABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2ncn(C)c21 ZINC000248013297 496943095 /nfs/dbraw/zinc/94/30/95/496943095.db2.gz FNSZPXWTGALYJI-LJQANCHMSA-N 1 1 362.477 3.197 40 0 FGABMO Cc1ccc(C[N@@H+]2CCO[C@H]3C[C@@H](COCc4cccc(C)n4)C[C@H]32)o1 ZINC000248091463 496954320 /nfs/dbraw/zinc/95/43/20/496954320.db2.gz LPVZQJXTNJXEQT-WMQCIHAUSA-N 1 1 356.466 3.488 40 0 FGABMO Cc1ccc(C[N@H+]2CCO[C@H]3C[C@@H](COCc4cccc(C)n4)C[C@H]32)o1 ZINC000248091463 496954326 /nfs/dbraw/zinc/95/43/26/496954326.db2.gz LPVZQJXTNJXEQT-WMQCIHAUSA-N 1 1 356.466 3.488 40 0 FGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1c(C)cc(OC)cc1C ZINC000223105364 497032581 /nfs/dbraw/zinc/03/25/81/497032581.db2.gz HWXHNPLGQGSSIA-KRWDZBQOSA-N 1 1 368.543 3.245 40 0 FGABMO O=C(Cc1cccc(Cl)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224586254 497050694 /nfs/dbraw/zinc/05/06/94/497050694.db2.gz CRBPQCXTZAXLPA-UHFFFAOYSA-N 1 1 358.869 3.031 40 0 FGABMO COc1ccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2C)cn1 ZINC000225451998 497063813 /nfs/dbraw/zinc/06/38/13/497063813.db2.gz CLGFXFIGUXVWSO-UHFFFAOYSA-N 1 1 353.451 3.071 40 0 FGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc2c(c1)OCO2 ZINC000225449596 497063834 /nfs/dbraw/zinc/06/38/34/497063834.db2.gz DLHCKVQRSVRVTN-UHFFFAOYSA-N 1 1 366.446 3.396 40 0 FGABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC000252013877 497294888 /nfs/dbraw/zinc/29/48/88/497294888.db2.gz UOUGWAPGLGPUMC-QUCCMNQESA-N 1 1 357.454 3.137 40 0 FGABMO Cc1c[nH]c(-c2nccnc2CC2CC[NH+](Cc3cscn3)CC2)n1 ZINC000257224221 497391713 /nfs/dbraw/zinc/39/17/13/497391713.db2.gz FAVRKALGBLFDBP-UHFFFAOYSA-N 1 1 354.483 3.086 40 0 FGABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000257214081 497392565 /nfs/dbraw/zinc/39/25/65/497392565.db2.gz CKLDIGJYAVIGIJ-OAQYLSRUSA-N 1 1 354.450 3.051 40 0 FGABMO Cc1cccc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)C(C)C)CCO3)c2)n1 ZINC000257240718 497395080 /nfs/dbraw/zinc/39/50/80/497395080.db2.gz HUUXBIUFIYKKIW-SFHVURJKSA-N 1 1 354.454 3.393 40 0 FGABMO Cc1ncc(-c2cncc(CC3CC[NH+](Cc4cscn4)CC3)n2)n1C ZINC000257252719 497395168 /nfs/dbraw/zinc/39/51/68/497395168.db2.gz JVXAJXFRTWJVKL-UHFFFAOYSA-N 1 1 368.510 3.097 40 0 FGABMO Cc1cccc2nc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCCC[C@@H]35)[N@H+]4C)cn21 ZINC000257248752 497395636 /nfs/dbraw/zinc/39/56/36/497395636.db2.gz JFAJVAZRGWWNOT-JWVYWZTKSA-N 1 1 352.482 3.120 40 0 FGABMO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000257280301 497397547 /nfs/dbraw/zinc/39/75/47/497397547.db2.gz OKIORLFZKPSHOI-QGZVFWFLSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1c[nH]c(-c2cnc(C[C@H]3CCC[N@H+](Cc4cscn4)C3)cn2)n1 ZINC000257295405 497398888 /nfs/dbraw/zinc/39/88/88/497398888.db2.gz QYELWILIPXQPTJ-CQSZACIVSA-N 1 1 354.483 3.086 40 0 FGABMO Cc1c[nH]c(-c2cnc(C[C@H]3CCC[N@@H+](Cc4cscn4)C3)cn2)n1 ZINC000257295405 497398890 /nfs/dbraw/zinc/39/88/90/497398890.db2.gz QYELWILIPXQPTJ-CQSZACIVSA-N 1 1 354.483 3.086 40 0 FGABMO Fc1ccccc1C[N@H+]1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257291841 497399653 /nfs/dbraw/zinc/39/96/53/497399653.db2.gz QIVDPSITIOXHQF-OAHLLOKOSA-N 1 1 351.429 3.461 40 0 FGABMO C[C@]1(COc2cccnc2)C[C@@H]2C[N@@H+](Cc3ncccc3F)CC[C@@H]2O1 ZINC000257286460 497399785 /nfs/dbraw/zinc/39/97/85/497399785.db2.gz PLQUTYOCPRIMCX-UIAACRFSSA-N 1 1 357.429 3.064 40 0 FGABMO Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]4[N@@H+](C)CCC[C@@]43C)[nH]n2)cc1 ZINC000257317169 497401977 /nfs/dbraw/zinc/40/19/77/497401977.db2.gz VIRADEVYGLPDJZ-FPOVZHCZSA-N 1 1 352.482 3.474 40 0 FGABMO Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]4[N@H+](C)CCC[C@@]43C)n[nH]2)cc1 ZINC000257317169 497401982 /nfs/dbraw/zinc/40/19/82/497401982.db2.gz VIRADEVYGLPDJZ-FPOVZHCZSA-N 1 1 352.482 3.474 40 0 FGABMO Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]4[N@@H+](C)CCC[C@@]43C)n[nH]2)cc1 ZINC000257317169 497401986 /nfs/dbraw/zinc/40/19/86/497401986.db2.gz VIRADEVYGLPDJZ-FPOVZHCZSA-N 1 1 352.482 3.474 40 0 FGABMO c1ccc(CN2C[C@@]3(CC[N@@H+](Cc4cccnc4)C3)c3ncccc32)nc1 ZINC000306136641 498740144 /nfs/dbraw/zinc/74/01/44/498740144.db2.gz PYYVSYXWVQWVJM-QFIPXVFZSA-N 1 1 357.461 3.036 40 0 FGABMO c1cncc(C[N@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306141766 498742953 /nfs/dbraw/zinc/74/29/53/498742953.db2.gz WFSVJNVGVQKKMX-IBGZPJMESA-N 1 1 356.433 3.176 40 0 FGABMO O=C(c1nccc2ccccc21)N1CCC[C@]2(CC[N@H+]2C[C@@H]2CCCO2)C1 ZINC000585102105 507567835 /nfs/dbraw/zinc/56/78/35/507567835.db2.gz RVRDORXXJHDBFO-AVRDEDQJSA-N 1 1 365.477 3.094 40 0 FGABMO CC[C@@H](Oc1cccc(C)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020110379 523047570 /nfs/dbraw/zinc/04/75/70/523047570.db2.gz GFHGZQVGDQJKHU-OAQYLSRUSA-N 1 1 352.478 3.497 40 0 FGABMO CCNc1cc(N2CCc3cc(C(=O)OC)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329063457 535522799 /nfs/dbraw/zinc/52/27/99/535522799.db2.gz XERFUHCHTZSXCW-UHFFFAOYSA-N 1 1 352.438 3.135 40 0 FGABMO Oc1cccc2c1OC1(CC[NH+](Cc3cnccn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257340465 210001949 /nfs/dbraw/zinc/00/19/49/210001949.db2.gz ZGGBLTFHXLIXGB-PKOBYXMFSA-N 1 1 367.449 3.077 40 0 FGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COCc4cccc(C)n4)C[C@@H]32)o1 ZINC000096250721 209144554 /nfs/dbraw/zinc/14/45/54/209144554.db2.gz LPVZQJXTNJXEQT-DZFGPLHGSA-N 1 1 356.466 3.488 40 0 FGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COCc4cccc(C)n4)C[C@@H]32)o1 ZINC000096250721 209144559 /nfs/dbraw/zinc/14/45/59/209144559.db2.gz LPVZQJXTNJXEQT-DZFGPLHGSA-N 1 1 356.466 3.488 40 0 FGABMO CC(C)C[N@H+]1CCc2cc(C(=O)N3CCCC3)c(NCC3CC3)nc2CC1 ZINC000096260617 209146362 /nfs/dbraw/zinc/14/63/62/209146362.db2.gz CHXQYZAWCJVWEH-UHFFFAOYSA-N 1 1 370.541 3.196 40 0 FGABMO c1csc(C[NH+]2CCC3(CO[C@@H](COCc4ccncc4)C3)CC2)n1 ZINC000096219181 209137582 /nfs/dbraw/zinc/13/75/82/209137582.db2.gz OXCBBMJEZCGOKJ-QGZVFWFLSA-N 1 1 359.495 3.126 40 0 FGABMO Cc1csc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)n1 ZINC000096216663 209136094 /nfs/dbraw/zinc/13/60/94/209136094.db2.gz MDZZCQWTEMOAAS-MJGOQNOKSA-N 1 1 359.495 3.187 40 0 FGABMO Cc1csc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)n1 ZINC000096216663 209136097 /nfs/dbraw/zinc/13/60/97/209136097.db2.gz MDZZCQWTEMOAAS-MJGOQNOKSA-N 1 1 359.495 3.187 40 0 FGABMO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1cc(C)nc(C)c1)CC2 ZINC000096208360 209134042 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O=c1c2ccccc2nnn1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012145966 207342325 /nfs/dbraw/zinc/34/23/25/207342325.db2.gz ODPXVYHRCXFJNA-UHFFFAOYSA-N 1 1 354.841 3.282 40 0 FGABMO OC1(c2cccnc2F)CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000012221797 207348480 /nfs/dbraw/zinc/34/84/80/207348480.db2.gz RRWXUAUWHURRKP-UHFFFAOYSA-N 1 1 358.442 3.156 40 0 FGABMO C[C@@H](C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1)C(=O)c1ccc(Cl)nc1 ZINC000035622937 208132219 /nfs/dbraw/zinc/13/22/19/208132219.db2.gz MGWWCDIQYDUZFF-JSGCOSHPSA-N 1 1 367.877 3.153 40 0 FGABMO C[C@@H](C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1)C(=O)c1ccc(Cl)nc1 ZINC000035622937 208132225 /nfs/dbraw/zinc/13/22/25/208132225.db2.gz MGWWCDIQYDUZFF-JSGCOSHPSA-N 1 1 367.877 3.153 40 0 FGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000044932543 208321735 /nfs/dbraw/zinc/32/17/35/208321735.db2.gz QCDUBFUTQBQRRC-UHFFFAOYSA-N 1 1 371.444 3.356 40 0 FGABMO Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)s1 ZINC000096057548 209105072 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FGABMO Cc1cccc(N2CCC[C@H](NC(=O)c3ccc(C(C)C)[nH]c3=O)C2)[nH+]1 ZINC000257314468 132296990 /nfs/dbraw/zinc/29/69/90/132296990.db2.gz UXDDCNIOJDGGPA-HNNXBMFYSA-N 1 1 354.454 3.013 40 0 FGABMO CC[C@@H](OC[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000034930257 494070131 /nfs/dbraw/zinc/07/01/31/494070131.db2.gz NBGUEXHMAOEBRK-DENIHFKCSA-N 1 1 372.484 3.477 40 0 FGABMO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2ccccc2F)CC1 ZINC000039757091 494123702 /nfs/dbraw/zinc/12/37/02/494123702.db2.gz VUEFWJXGQXDUEJ-UHFFFAOYSA-N 1 1 361.505 3.030 40 0 FGABMO Cc1cc(C)n2nc(C3=CC[N@@H+](C[C@@H](O)c4ccc(F)cc4)CC3)cc2n1 ZINC000072342774 494155178 /nfs/dbraw/zinc/15/51/78/494155178.db2.gz SOKUSVMZRBZFFL-HXUWFJFHSA-N 1 1 366.440 3.308 40 0 FGABMO Cc1ncsc1C(=O)N1CCC(c2cccc(-n3cc[nH+]c3C)n2)CC1 ZINC000072379048 494161166 /nfs/dbraw/zinc/16/11/66/494161166.db2.gz IIMMSXUYZMVFNT-UHFFFAOYSA-N 1 1 367.478 3.360 40 0 FGABMO O=c1cc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393051 494163617 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FC(F)(F)c1[nH]c2ncccc2c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000019402145 494445390 /nfs/dbraw/zinc/44/53/90/494445390.db2.gz ZMFGFYMYAONUES-UHFFFAOYSA-N 1 1 361.371 3.299 40 0 FGABMO CCC[C@@H](c1nnnn1C(C)(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019501847 494446433 /nfs/dbraw/zinc/44/64/33/494446433.db2.gz XESPENSQQYSNAD-SFHVURJKSA-N 1 1 356.518 3.087 40 0 FGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)c(OC)c1)Cc1ccccn1 ZINC000019527123 494447967 /nfs/dbraw/zinc/44/79/67/494447967.db2.gz GDWAMTFGGPCSSO-LJQANCHMSA-N 1 1 355.482 3.282 40 0 FGABMO COc1ccc(-c2nsc3c2ncn(CC[NH+]2CCCCC2)c3=O)cc1 ZINC000019557893 494448564 /nfs/dbraw/zinc/44/85/64/494448564.db2.gz LNVNPUHVBWNEGV-UHFFFAOYSA-N 1 1 370.478 3.015 40 0 FGABMO COc1ccc2c(c1)C(=O)NC[C@@H]([C@@H]1CCC[N@@H+](Cc3ccccc3)C1)O2 ZINC000019562123 494449871 /nfs/dbraw/zinc/44/98/71/494449871.db2.gz WBKXQMHJBQCHOG-UTKZUKDTSA-N 1 1 366.461 3.098 40 0 FGABMO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1C[C@@H]2c3nc(C)[nH]c(=O)c3CC[C@@H]2C1 ZINC000019565529 494449960 /nfs/dbraw/zinc/44/99/60/494449960.db2.gz XKBXTAFYUMABTO-DYVFJYSZSA-N 1 1 366.440 3.169 40 0 FGABMO C[NH+](C)[C@H](C(=O)NCc1ccccc1N1CCCC1)c1ccc(F)cc1 ZINC000019661339 494454171 /nfs/dbraw/zinc/45/41/71/494454171.db2.gz WHSVYPXBVBWRKN-FQEVSTJZSA-N 1 1 355.457 3.345 40 0 FGABMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000019656989 494454281 /nfs/dbraw/zinc/45/42/81/494454281.db2.gz NFUOJOOYMLVJGR-QGZVFWFLSA-N 1 1 354.498 3.188 40 0 FGABMO c1cc2c(cccc2C[NH+]2CC3(C2)OCC[C@H]3COCC2CCOCC2)[nH]1 ZINC000248068219 496951114 /nfs/dbraw/zinc/95/11/14/496951114.db2.gz GKRIZEOVXDVCEX-IBGZPJMESA-N 1 1 370.493 3.202 40 0 FGABMO COc1cccc(C[N@H+]2CC[C@H]3COC(=O)N3c3ccc(OC)cc3C2)c1 ZINC000225492105 497065123 /nfs/dbraw/zinc/06/51/23/497065123.db2.gz FPDOMCKSXVTCSH-KRWDZBQOSA-N 1 1 368.433 3.435 40 0 biogenic,in-vitro FGABMO c1cc2n(c1)[C@H](CCOCC1CCOCC1)C[N@@H+](CC1CCOCC1)C2 ZINC000253478512 497335010 /nfs/dbraw/zinc/33/50/10/497335010.db2.gz LLVPDFPJBNFVCC-OAQYLSRUSA-N 1 1 362.514 3.105 40 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/nfs/dbraw/zinc/39/24/45/497392445.db2.gz DZSCPIRVPSQSAM-AWEZNQCLSA-N 1 1 354.483 3.086 40 0 FGABMO Cc1ccsc1C[N@@H+]1CCC[C@](C)(c2nc3c(c(C)n2)CC(=O)N3C)C1 ZINC000257232231 497393905 /nfs/dbraw/zinc/39/39/05/497393905.db2.gz GJXMRONOBKEOBF-FQEVSTJZSA-N 1 1 370.522 3.228 40 0 FGABMO COc1ccc(Oc2cncc(C3CC[NH+](Cc4c[nH]cn4)CC3)n2)cc1 ZINC000257289835 497398916 /nfs/dbraw/zinc/39/89/16/497398916.db2.gz QAJZUNQRGBMQSO-UHFFFAOYSA-N 1 1 365.437 3.380 40 0 FGABMO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000257287004 497399542 /nfs/dbraw/zinc/39/95/42/497399542.db2.gz PNZUXHJEIBBVLL-KRWDZBQOSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@@H]3c3ccnc(N(C)C)c3)c2n1 ZINC000257315725 497401818 /nfs/dbraw/zinc/40/18/18/497401818.db2.gz VCNQGELTHOPSLB-GOSISDBHSA-N 1 1 350.470 3.144 40 0 FGABMO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@@H]3c3ccnc(N(C)C)c3)c2n1 ZINC000257315725 497401822 /nfs/dbraw/zinc/40/18/22/497401822.db2.gz VCNQGELTHOPSLB-GOSISDBHSA-N 1 1 350.470 3.144 40 0 FGABMO Cn1cc[nH+]c1C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257318126 497402050 /nfs/dbraw/zinc/40/20/50/497402050.db2.gz VMPPDVMTZJZHSZ-OAHLLOKOSA-N 1 1 365.433 3.443 40 0 FGABMO Cn1cc[nH+]c1C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257318126 497402053 /nfs/dbraw/zinc/40/20/53/497402053.db2.gz VMPPDVMTZJZHSZ-OAHLLOKOSA-N 1 1 365.433 3.443 40 0 FGABMO COc1ccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000260737487 497405953 /nfs/dbraw/zinc/40/59/53/497405953.db2.gz KTDZVZUJZBONQG-AWEZNQCLSA-N 1 1 351.516 3.112 40 0 FGABMO CC(C)n1cnc([C@H]2C[N@H+](C3CCC3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306129319 498738914 /nfs/dbraw/zinc/73/89/14/498738914.db2.gz IAMHDMGPRYUSLX-WIYYLYMNSA-N 1 1 356.514 3.044 40 0 FGABMO Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000408613036 499593019 /nfs/dbraw/zinc/59/30/19/499593019.db2.gz WPNTVFWEUGEPTG-UHFFFAOYSA-N 1 1 370.518 3.206 40 0 FGABMO C[C@@]1(O)CC[N@@H+](CC2CC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383322 506809361 /nfs/dbraw/zinc/80/93/61/506809361.db2.gz WAEITXBTIFRCSE-JAXLGGSGSA-N 1 1 356.510 3.269 40 0 biogenic,in-vitro FGABMO COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CCN(C(=O)C(C)(C)C)CC2 ZINC000585102744 507568355 /nfs/dbraw/zinc/56/83/55/507568355.db2.gz CVBKMZMKRCWVBR-INIZCTEOSA-N 1 1 364.555 3.481 40 0 FGABMO Cc1ccsc1C[N@@H+]1CC[C@@H](Cc2cnc(-c3nccn3C)cn2)C1 ZINC000585182453 507579655 /nfs/dbraw/zinc/57/96/55/507579655.db2.gz WVDONXQFJJNDGP-HNNXBMFYSA-N 1 1 353.495 3.312 40 0 FGABMO COc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000585260832 507579749 /nfs/dbraw/zinc/57/97/49/507579749.db2.gz IMUCGBIBJZNRCP-SIKLNZKXSA-N 1 1 350.462 3.334 40 0 FGABMO C[N@H+]1CCN(Cc2cncs2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000585261156 507580758 /nfs/dbraw/zinc/58/07/58/507580758.db2.gz UQDWREQTYJBZJL-INIZCTEOSA-N 1 1 352.507 3.298 40 0 FGABMO CN1CC[N@H+](Cc2cncs2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000585261156 507580762 /nfs/dbraw/zinc/58/07/62/507580762.db2.gz UQDWREQTYJBZJL-INIZCTEOSA-N 1 1 352.507 3.298 40 0 FGABMO CN1CC[N@@H+](Cc2cncs2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000585261156 507580764 /nfs/dbraw/zinc/58/07/64/507580764.db2.gz UQDWREQTYJBZJL-INIZCTEOSA-N 1 1 352.507 3.298 40 0 FGABMO CCCn1cc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)c(C)c3)C2)cn1 ZINC000585273659 507582480 /nfs/dbraw/zinc/58/24/80/507582480.db2.gz XKIUFZRQGQZZBY-NRFANRHFSA-N 1 1 357.498 3.316 40 0 FGABMO C[N@@H+](CCOc1ccccc1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585289908 507585627 /nfs/dbraw/zinc/58/56/27/507585627.db2.gz XDZLGCIHOFEADO-PWRODBHTSA-N 1 1 359.441 3.497 40 0 FGABMO COc1cccc(O[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000020458717 526239475 /nfs/dbraw/zinc/23/94/75/526239475.db2.gz WZZHKHNPTFKPPD-OAHLLOKOSA-N 1 1 365.433 3.273 40 0 FGABMO CCc1cnc(N2CCC3(CC([N@@H+](C)Cc4ccccn4)C3)CC2)nc1 ZINC000096159265 536056368 /nfs/dbraw/zinc/05/63/68/536056368.db2.gz AOXOKJCSVUIMEC-UHFFFAOYSA-N 1 1 351.498 3.315 40 0 FGABMO OCC[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624289070 571145679 /nfs/dbraw/zinc/14/56/79/571145679.db2.gz DBOAYYGZVBRDJX-QZTJIDSGSA-N 1 1 373.324 3.260 40 0 FGABMO Cc1cccc(Nc2nccnc2C2CC[NH+](Cc3cn(C)cn3)CC2)n1 ZINC000257240507 209975146 /nfs/dbraw/zinc/97/51/46/209975146.db2.gz HTUORBXFNGVDGY-UHFFFAOYSA-N 1 1 363.469 3.037 40 0 FGABMO C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)N(c1ccccc1)c1ccccc1 ZINC000000793617 209376343 /nfs/dbraw/zinc/37/63/43/209376343.db2.gz CGKYPDOLMYHUJC-ZDUSSCGKSA-N 1 1 365.462 3.487 40 0 FGABMO COCC[N@H+]1C[C@@H]2CN(Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000096251766 209144005 /nfs/dbraw/zinc/14/40/05/209144005.db2.gz KTQCJPQBBIUQQF-GMAHTHKFSA-N 1 1 365.521 3.112 40 0 FGABMO COc1ccc(C[C@H]2C[N@H+](Cc3cccnc3OC)CC[C@H]2OC)cc1 ZINC000096209450 209135664 /nfs/dbraw/zinc/13/56/64/209135664.db2.gz SEMGATBJGHOXSN-AZUAARDMSA-N 1 1 356.466 3.178 40 0 FGABMO O=C(Nc1ccccc1)N1CC[C@]2(C1)CCC[N@@H+](CC1CCOCC1)C2 ZINC000096215419 209135764 /nfs/dbraw/zinc/13/57/64/209135764.db2.gz JFQIAVVEUHAHRS-OAQYLSRUSA-N 1 1 357.498 3.433 40 0 FGABMO CCc1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNC(=O)C(C)C)C2)cc1 ZINC000096209753 209136223 /nfs/dbraw/zinc/13/62/23/209136223.db2.gz NGAZVHGJNPUSGC-IRLDBZIGSA-N 1 1 358.526 3.392 40 0 FGABMO Cc1nc(C[NH+]2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)cs1 ZINC000096199646 209132644 /nfs/dbraw/zinc/13/26/44/209132644.db2.gz GOBOUUOQGCBFJH-GOSISDBHSA-N 1 1 355.507 3.432 40 0 FGABMO CC(C)n1nc(C[NH+]2CCCC2)c2c1CN(C(=O)c1cccc(F)c1)CC2 ZINC000096084229 209110348 /nfs/dbraw/zinc/11/03/48/209110348.db2.gz WTWUEHREBSLJOS-UHFFFAOYSA-N 1 1 370.472 3.397 40 0 FGABMO Cc1ccc(C[N@H+]2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)s1 ZINC000096062426 209106373 /nfs/dbraw/zinc/10/63/73/209106373.db2.gz UIURYFJAWBQFKF-SFHVURJKSA-N 1 1 363.552 3.238 40 0 FGABMO COc1ccc(C[N@@H+](C)C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 ZINC000007063393 207185347 /nfs/dbraw/zinc/18/53/47/207185347.db2.gz LXVDMUCOTJZXFF-ZVDOUQERSA-N 1 1 359.510 3.497 40 0 FGABMO CC[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000012188610 207347027 /nfs/dbraw/zinc/34/70/27/207347027.db2.gz AERUZDCWSOLEQU-HXUWFJFHSA-N 1 1 367.493 3.456 40 0 FGABMO CC[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000012188610 207347030 /nfs/dbraw/zinc/34/70/30/207347030.db2.gz AERUZDCWSOLEQU-HXUWFJFHSA-N 1 1 367.493 3.456 40 0 FGABMO COc1cc(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)cc(OC)c1 ZINC000012119161 207339548 /nfs/dbraw/zinc/33/95/48/207339548.db2.gz IOFAJYXRMKMZSH-MRXNPFEDSA-N 1 1 368.433 3.449 40 0 FGABMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2OC[C@@H]2CCCO2)C1 ZINC000012241351 207351568 /nfs/dbraw/zinc/35/15/68/207351568.db2.gz NENIBONWCBTBBS-RBBKRZOGSA-N 1 1 353.462 3.338 40 0 FGABMO CCOc1ccc(C[N@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)cc1 ZINC000012275837 207353642 /nfs/dbraw/zinc/35/36/42/207353642.db2.gz JGLCGJMCFIOIIM-UHFFFAOYSA-N 1 1 369.490 3.223 40 0 FGABMO CCOc1ccc(C[N@@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)cc1 ZINC000012275837 207353645 /nfs/dbraw/zinc/35/36/45/207353645.db2.gz JGLCGJMCFIOIIM-UHFFFAOYSA-N 1 1 369.490 3.223 40 0 FGABMO COc1ccc(C[N@H+]2C[C@@H](OCc3ccccn3)[C@@H]3OCCC[C@@H]32)cc1 ZINC000096058151 209105222 /nfs/dbraw/zinc/10/52/22/209105222.db2.gz VWUAEVUQHBUERG-PWRODBHTSA-N 1 1 354.450 3.039 40 0 FGABMO Cc1nc(CO[C@@H]2C[N@@H+](Cc3ccsc3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096058120 209105100 /nfs/dbraw/zinc/10/51/00/209105100.db2.gz KQGHZNLBPFWVFM-ZACQAIPSSA-N 1 1 350.509 3.462 40 0 FGABMO FC1(F)CC[N@@H+](Cc2cccs2)C[C@]12CCN(c1ncccn1)C2 ZINC000096051164 209103353 /nfs/dbraw/zinc/10/33/53/209103353.db2.gz BLPHMHGAGUSMEV-INIZCTEOSA-N 1 1 350.438 3.276 40 0 FGABMO FC1(F)CC[N@@H+](CC2CCOCC2)C[C@]12CCN(c1ccccn1)C2 ZINC000096051161 209101807 /nfs/dbraw/zinc/10/18/07/209101807.db2.gz MJPXJLUGIYQJES-SFHVURJKSA-N 1 1 351.441 3.046 40 0 FGABMO CN(Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048083 209100477 /nfs/dbraw/zinc/10/04/77/209100477.db2.gz USMMEIKCFYMOMW-NRFANRHFSA-N 1 1 369.484 3.476 40 0 FGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)s1 ZINC000096048623 209099946 /nfs/dbraw/zinc/09/99/46/209099946.db2.gz HRQGMOZROLJSAI-HXUWFJFHSA-N 1 1 355.507 3.466 40 0 FGABMO CN(Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048054 209099841 /nfs/dbraw/zinc/09/98/41/209099841.db2.gz OUUVDMGXIQMNNV-OAQYLSRUSA-N 1 1 369.484 3.476 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](Nc4ccc(C)nn4)CO3)C2)cc1 ZINC000096048468 209099331 /nfs/dbraw/zinc/09/93/31/209099331.db2.gz HUUGNFFMTNKIER-NQIIRXRSSA-N 1 1 368.481 3.029 40 0 FGABMO C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1c(F)cc(Br)cc1F ZINC000003893514 493859180 /nfs/dbraw/zinc/85/91/80/493859180.db2.gz JUCCUWNVDDWOLY-PWSUYJOCSA-N 1 1 364.230 3.341 40 0 FGABMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000038835964 494119162 /nfs/dbraw/zinc/11/91/62/494119162.db2.gz MQHKVLNBNAXHLJ-OAQYLSRUSA-N 1 1 363.505 3.247 40 0 FGABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4cc(F)ccc4F)C3)cc(N)n2n1 ZINC000072339788 494153628 /nfs/dbraw/zinc/15/36/28/494153628.db2.gz QYVLARWLGQRONQ-ZDUSSCGKSA-N 1 1 357.408 3.278 40 0 FGABMO COCc1ccc(OC)c(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1 ZINC000072343293 494154649 /nfs/dbraw/zinc/15/46/49/494154649.db2.gz FIPQWHFJBRGSRI-CTNGQTDRSA-N 1 1 366.461 3.385 40 0 FGABMO COCc1ccc(OC)c(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1 ZINC000072343293 494154653 /nfs/dbraw/zinc/15/46/53/494154653.db2.gz FIPQWHFJBRGSRI-CTNGQTDRSA-N 1 1 366.461 3.385 40 0 FGABMO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000072358327 494157159 /nfs/dbraw/zinc/15/71/59/494157159.db2.gz JSIVTGAPDOOQIR-KRWDZBQOSA-N 1 1 350.466 3.365 40 0 FGABMO O=C(C[N@@H+]1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1)N1CCCC1 ZINC000072358545 494157626 /nfs/dbraw/zinc/15/76/26/494157626.db2.gz CYHQKADEFLIKSU-QGZVFWFLSA-N 1 1 368.456 3.085 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3cncnc3)n2)cc1 ZINC000072377448 494159576 /nfs/dbraw/zinc/15/95/76/494159576.db2.gz RILKHPFTBLNJIY-LJQANCHMSA-N 1 1 362.437 3.356 40 0 FGABMO O=c1cc([C@H]2CCC[N@@H+](Cc3cccs3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393193 494163164 /nfs/dbraw/zinc/16/31/64/494163164.db2.gz MJSDRHDSOXQFQK-AWEZNQCLSA-N 1 1 352.463 3.273 40 0 FGABMO Cc1ncc(C[N@@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)cn1 ZINC000012122592 494207158 /nfs/dbraw/zinc/20/71/58/494207158.db2.gz DLKQQYPQCULXKI-UHFFFAOYSA-N 1 1 353.466 3.101 40 0 FGABMO Cc1ncc(C[N@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)cn1 ZINC000012122592 494207161 /nfs/dbraw/zinc/20/71/61/494207161.db2.gz DLKQQYPQCULXKI-UHFFFAOYSA-N 1 1 353.466 3.101 40 0 FGABMO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)C[N@H+](Cc2ccsc2)CC4)no1 ZINC000012667291 494249420 /nfs/dbraw/zinc/24/94/20/494249420.db2.gz CKABWSGIVWWXRN-UHFFFAOYSA-N 1 1 367.434 3.018 40 0 FGABMO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)C[N@@H+](Cc2ccsc2)CC4)no1 ZINC000012667291 494249425 /nfs/dbraw/zinc/24/94/25/494249425.db2.gz CKABWSGIVWWXRN-UHFFFAOYSA-N 1 1 367.434 3.018 40 0 FGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)Cc2ccccc2Cl)C1 ZINC000013674999 494292285 /nfs/dbraw/zinc/29/22/85/494292285.db2.gz UDZUYLAPGIFGQW-GASCZTMLSA-N 1 1 358.935 3.127 40 0 FGABMO C[C@@H]1CCC[N@@H+](CC(C)(C)NC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000013996120 494298746 /nfs/dbraw/zinc/29/87/46/494298746.db2.gz XYSOAJLIOSPWJA-MRXNPFEDSA-N 1 1 357.498 3.054 40 0 FGABMO CCn1ncc(C[N@@H+](Cc2ccc(OC)c(OC)c2)C[C@@H]2CCCO2)c1C ZINC000013994196 494299337 /nfs/dbraw/zinc/29/93/37/494299337.db2.gz DLERZCIRJYBQEF-IBGZPJMESA-N 1 1 373.497 3.410 40 0 FGABMO CCn1ncc(C[N@H+](Cc2ccc(OC)c(OC)c2)C[C@@H]2CCCO2)c1C ZINC000013994196 494299342 /nfs/dbraw/zinc/29/93/42/494299342.db2.gz DLERZCIRJYBQEF-IBGZPJMESA-N 1 1 373.497 3.410 40 0 FGABMO O=C(CCc1n[nH]c2c1CCCC2)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019014945 494434803 /nfs/dbraw/zinc/43/48/03/494434803.db2.gz HWYXFXQODGEJLV-GOSISDBHSA-N 1 1 372.557 3.478 40 0 FGABMO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2cccc(C)c2)n1 ZINC000019234933 494439089 /nfs/dbraw/zinc/43/90/89/494439089.db2.gz WURBKRLTTFIDPC-FQEVSTJZSA-N 1 1 353.466 3.465 40 0 FGABMO Cc1nc2ccccc2n1[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000019286658 494440020 /nfs/dbraw/zinc/44/00/20/494440020.db2.gz AQLZRZVJOJXQQV-IIBYNOLFSA-N 1 1 362.477 3.421 40 0 FGABMO Cc1nc2ccccc2n1[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000019286658 494440022 /nfs/dbraw/zinc/44/00/22/494440022.db2.gz AQLZRZVJOJXQQV-IIBYNOLFSA-N 1 1 362.477 3.421 40 0 FGABMO OCCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1 ZINC000019293622 494440895 /nfs/dbraw/zinc/44/08/95/494440895.db2.gz YBTFVTGJMOMHNH-RLAPIPATSA-N 1 1 371.452 3.211 40 0 FGABMO O=c1cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(-c2cccs2)[nH]1 ZINC000019339062 494441705 /nfs/dbraw/zinc/44/17/05/494441705.db2.gz MEIALXYGMXAQBS-HNNXBMFYSA-N 1 1 352.463 3.273 40 0 FGABMO Fc1cc(F)cc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000019338566 494441839 /nfs/dbraw/zinc/44/18/39/494441839.db2.gz ACVZAVKHHOREQL-UHFFFAOYSA-N 1 1 361.436 3.084 40 0 FGABMO Fc1cc(F)cc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000019338566 494441845 /nfs/dbraw/zinc/44/18/45/494441845.db2.gz ACVZAVKHHOREQL-UHFFFAOYSA-N 1 1 361.436 3.084 40 0 FGABMO Fc1cc(F)cc(CN(CCC[NH+]2CCOCC2)Cc2cccnc2)c1 ZINC000019338566 494441851 /nfs/dbraw/zinc/44/18/51/494441851.db2.gz ACVZAVKHHOREQL-UHFFFAOYSA-N 1 1 361.436 3.084 40 0 FGABMO OCC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(OCc2ccccc2)c1 ZINC000019372720 494443895 /nfs/dbraw/zinc/44/38/95/494443895.db2.gz GAGPURKYKQUPBC-VXKWHMMOSA-N 1 1 366.505 3.297 40 0 FGABMO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1cccc(Cl)c1)CC2 ZINC000019403173 494445346 /nfs/dbraw/zinc/44/53/46/494445346.db2.gz HXCSBOKLKUDDOA-UHFFFAOYSA-N 1 1 352.825 3.044 40 0 FGABMO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1cccc(Cl)c1)CC2 ZINC000019403173 494445348 /nfs/dbraw/zinc/44/53/48/494445348.db2.gz HXCSBOKLKUDDOA-UHFFFAOYSA-N 1 1 352.825 3.044 40 0 FGABMO C[C@@H]1CCCN(c2ncc(CN3CCC([N@H+]4CCC[C@@H](C)C4)CC3)cn2)C1 ZINC000019496653 494446026 /nfs/dbraw/zinc/44/60/26/494446026.db2.gz BHMOFUVINGKZKI-RTBURBONSA-N 1 1 371.573 3.409 40 0 FGABMO C[C@H]1CCC[N@H+](C2CCN(Cc3cnc(N4CCCCC4)nc3)CC2)C1 ZINC000019496489 494446558 /nfs/dbraw/zinc/44/65/58/494446558.db2.gz TYSKNXHEJJJTLP-SFHVURJKSA-N 1 1 357.546 3.163 40 0 FGABMO CCOc1ccc(CN2CCc3nc([C@H]4CCC[N@@H+](C)C4)ncc3C2)cc1 ZINC000019533366 494447655 /nfs/dbraw/zinc/44/76/55/494447655.db2.gz CZLCWJHWNNONNS-SFHVURJKSA-N 1 1 366.509 3.243 40 0 FGABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3nc(C)c(C)c(=O)[nH]3)C2)cc1OC ZINC000019533816 494449120 /nfs/dbraw/zinc/44/91/20/494449120.db2.gz QBDMHTTZECGOOW-KRWDZBQOSA-N 1 1 371.481 3.174 40 0 FGABMO COc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1Cn1nc(C)cc1C ZINC000019574413 494449788 /nfs/dbraw/zinc/44/97/88/494449788.db2.gz JRNXFJBOBMAFPX-WIYYLYMNSA-N 1 1 368.525 3.225 40 0 FGABMO Fc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cc1 ZINC000096055302 494999555 /nfs/dbraw/zinc/99/95/55/494999555.db2.gz OFLAIGUBHYFYDZ-SESVDKBCSA-N 1 1 356.441 3.417 40 0 FGABMO Fc1ccc(C[N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)cc1 ZINC000096055302 494999559 /nfs/dbraw/zinc/99/95/59/494999559.db2.gz OFLAIGUBHYFYDZ-SESVDKBCSA-N 1 1 356.441 3.417 40 0 FGABMO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](C(C)C)C3)cc1 ZINC000096111882 495002335 /nfs/dbraw/zinc/00/23/35/495002335.db2.gz SLXVBWZPFIOWTH-ICSRJNTNSA-N 1 1 366.461 3.472 40 0 biogenic,in-vitro FGABMO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@H+](C(C)C)C3)cc1 ZINC000096111882 495002339 /nfs/dbraw/zinc/00/23/39/495002339.db2.gz SLXVBWZPFIOWTH-ICSRJNTNSA-N 1 1 366.461 3.472 40 0 biogenic,in-vitro FGABMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OC(=O)[C@](O)(c1ccccc1)C1CCCC1 ZINC000146990127 495571151 /nfs/dbraw/zinc/57/11/51/495571151.db2.gz ROZOEEGFKDFEFP-AXRVMRSRSA-N 1 1 357.494 3.338 40 0 FGABMO COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CCN(C(=O)C1CC=CC1)CC2 ZINC000247818564 496918850 /nfs/dbraw/zinc/91/88/50/496918850.db2.gz CJORNUZJHBWRQL-IBGZPJMESA-N 1 1 374.550 3.401 40 0 FGABMO CCn1ncc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)c1C ZINC000247832806 496920532 /nfs/dbraw/zinc/92/05/32/496920532.db2.gz LXHRRDLKTCIKNR-ORYQWCPZSA-N 1 1 357.473 3.470 40 0 FGABMO Cc1nn(C)c(C)c1C(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000225884573 497078846 /nfs/dbraw/zinc/07/88/46/497078846.db2.gz YMNYODQZVYQCKP-UHFFFAOYSA-N 1 1 371.872 3.471 40 0 FGABMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(CNC(C)=O)n2)c(F)c1 ZINC000257212151 497390597 /nfs/dbraw/zinc/39/05/97/497390597.db2.gz CCCYPTYEEQWKHR-HXUWFJFHSA-N 1 1 357.429 3.203 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(CNC(C)=O)n2)c(F)c1 ZINC000257212151 497390602 /nfs/dbraw/zinc/39/06/02/497390602.db2.gz CCCYPTYEEQWKHR-HXUWFJFHSA-N 1 1 357.429 3.203 40 0 FGABMO Cc1noc(C)c1-c1cc(C[C@H]2CCC[N@H+](Cc3ncc[nH]3)CC2)ncn1 ZINC000257206856 497390680 /nfs/dbraw/zinc/39/06/80/497390680.db2.gz BFEKNFLWJWOFMB-INIZCTEOSA-N 1 1 366.469 3.316 40 0 FGABMO Cc1noc(C)c1-c1cc(C[C@H]2CCC[N@@H+](Cc3ncc[nH]3)CC2)ncn1 ZINC000257206856 497390685 /nfs/dbraw/zinc/39/06/85/497390685.db2.gz BFEKNFLWJWOFMB-INIZCTEOSA-N 1 1 366.469 3.316 40 0 FGABMO CCn1cc(C[N@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cn1 ZINC000257250837 497394828 /nfs/dbraw/zinc/39/48/28/497394828.db2.gz JOEYZELJKJNLRZ-SFTDATJTSA-N 1 1 355.482 3.243 40 0 FGABMO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000257280300 497397571 /nfs/dbraw/zinc/39/75/71/497397571.db2.gz OKIORLFZKPSHOI-KRWDZBQOSA-N 1 1 363.469 3.037 40 0 FGABMO CO[C@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)CC[C@]12CCCO2 ZINC000257273996 497398141 /nfs/dbraw/zinc/39/81/41/497398141.db2.gz NJBWGBOYSIFWPR-PZJWPPBQSA-N 1 1 354.450 3.048 40 0 FGABMO CO[C@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)CC[C@]12CCCO2 ZINC000257273996 497398147 /nfs/dbraw/zinc/39/81/47/497398147.db2.gz NJBWGBOYSIFWPR-PZJWPPBQSA-N 1 1 354.450 3.048 40 0 FGABMO C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3C[C@H]3CCOC3)cc2N1 ZINC000257294176 497399221 /nfs/dbraw/zinc/39/92/21/497399221.db2.gz QSXDIHZYCFTLOZ-RJZRQDKASA-N 1 1 358.408 3.364 40 0 FGABMO CC(C)[N@@H+](Cc1ccccc1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O ZINC000257297721 497400890 /nfs/dbraw/zinc/40/08/90/497400890.db2.gz RIOXUNPPENBUPW-SFTDATJTSA-N 1 1 368.477 3.279 40 0 FGABMO c1cncc(-c2ccc3nc([C@@H]4CC[N@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306134836 498741076 /nfs/dbraw/zinc/74/10/76/498741076.db2.gz NZJWUXJZYWXFAX-LJQANCHMSA-N 1 1 356.433 3.176 40 0 FGABMO c1csc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccccn4)C2)OC3)c1 ZINC000306135588 498741102 /nfs/dbraw/zinc/74/11/02/498741102.db2.gz OVGUWQZTWAXCAR-IBGZPJMESA-N 1 1 352.463 3.182 40 0 FGABMO COc1ncccc1C[N@H+]1Cc2cccn2C[C@H](CCOCC2CC2)C1 ZINC000585095269 507566009 /nfs/dbraw/zinc/56/60/09/507566009.db2.gz LVQHWUCOKXHKCJ-GOSISDBHSA-N 1 1 355.482 3.340 40 0 FGABMO COc1ncccc1C[N@@H+]1Cc2cccn2C[C@H](CCOCC2CC2)C1 ZINC000585095269 507566015 /nfs/dbraw/zinc/56/60/15/507566015.db2.gz LVQHWUCOKXHKCJ-GOSISDBHSA-N 1 1 355.482 3.340 40 0 FGABMO C[C@@H](c1ccccc1)[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104435 507571379 /nfs/dbraw/zinc/57/13/79/507571379.db2.gz NFMDMGGFVSHBOI-CVDCTZTESA-N 1 1 364.489 3.499 40 0 FGABMO CCCC(CCC)[N@H+]1CCOC[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585281984 507583579 /nfs/dbraw/zinc/58/35/79/507583579.db2.gz DPMLHZNCKSKKFX-LJQANCHMSA-N 1 1 357.441 3.376 40 0 FGABMO CC1(C)CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)CC1 ZINC000585281800 507583849 /nfs/dbraw/zinc/58/38/49/507583849.db2.gz AVUNNXWTJAHYGF-ICSRJNTNSA-N 1 1 367.917 3.485 40 0 FGABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000585292675 507586398 /nfs/dbraw/zinc/58/63/98/507586398.db2.gz MXZQCCRFJDPLCZ-MISYRCLQSA-N 1 1 356.853 3.143 40 0 FGABMO CCOC[C@H]1CC[N@@H+](CC2CC2)C2(CN(C(=O)c3cc(C)oc3C)C2)C1 ZINC000306144536 210058128 /nfs/dbraw/zinc/05/81/28/210058128.db2.gz ZICKSACICDLPPF-SFHVURJKSA-N 1 1 360.498 3.250 40 0 FGABMO COc1ncccc1C[N@@H+]1C[C@H]2Cc3ncc(-c4ccccc4)n3C[C@@H]2C1 ZINC000306129164 210051238 /nfs/dbraw/zinc/05/12/38/210051238.db2.gz HWGOUQUQAYZHKI-MOPGFXCFSA-N 1 1 360.461 3.258 40 0 FGABMO Cc1[nH+]ccn1[C@@H]1CCCC[C@@H](N(C)C(=O)/C=C/c2ccccc2)[C@H]1O ZINC000257246756 223036035 /nfs/dbraw/zinc/03/60/35/223036035.db2.gz IVRYWSTWCBGOTQ-DKDOCFCCSA-N 1 1 353.466 3.208 40 0 FGABMO Cn1ccnc1C[N@@H+]1CCC[C@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000257315234 223062784 /nfs/dbraw/zinc/06/27/84/223062784.db2.gz VALJYARIBRFMKS-QGZVFWFLSA-N 1 1 362.481 3.408 40 0 FGABMO Cn1ccnc1C[N@H+]1CCC[C@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000257315234 223062786 /nfs/dbraw/zinc/06/27/86/223062786.db2.gz VALJYARIBRFMKS-QGZVFWFLSA-N 1 1 362.481 3.408 40 0 FGABMO CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(CNC(C)=O)n1 ZINC000257322659 223065424 /nfs/dbraw/zinc/06/54/24/223065424.db2.gz WGWTZNQQQFOGBP-HXUWFJFHSA-N 1 1 353.466 3.454 40 0 FGABMO Clc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2ccncc2)cc1 ZINC000013989974 220099637 /nfs/dbraw/zinc/09/96/37/220099637.db2.gz BAWZMTKTGJXMIJ-UHFFFAOYSA-N 1 1 359.901 3.460 40 0 FGABMO COc1cc2c(cc1-c1cncn1CCCn1cc[nH+]c1C)OCCCO2 ZINC000019720037 211252370 /nfs/dbraw/zinc/25/23/70/211252370.db2.gz GJFPOOPXTMUICF-UHFFFAOYSA-N 1 1 368.437 3.315 40 0 FGABMO C[C@H](C[NH+]1CCOCC1)n1cncc1-c1cnn(-c2ccc(Cl)cc2)c1 ZINC000019719544 211250749 /nfs/dbraw/zinc/25/07/49/211250749.db2.gz PQYGOSVWVPQWJE-OAHLLOKOSA-N 1 1 371.872 3.282 40 0 FGABMO CCCCn1c(=O)[nH]c2sc3c(c2c1=O)CC[N@@H+](Cc1ccccc1)C3 ZINC000019819693 211258264 /nfs/dbraw/zinc/25/82/64/211258264.db2.gz XIVVFZWJCJAXKZ-UHFFFAOYSA-N 1 1 369.490 3.110 40 0 FGABMO CCCCn1c(=O)[nH]c2sc3c(c2c1=O)CC[N@H+](Cc1ccccc1)C3 ZINC000019819693 211258267 /nfs/dbraw/zinc/25/82/67/211258267.db2.gz XIVVFZWJCJAXKZ-UHFFFAOYSA-N 1 1 369.490 3.110 40 0 FGABMO COc1ccc(CN(C)C[C@H]2CC[N@H+](C)C2)cc1Cc1c(C)noc1C ZINC000019581002 211238766 /nfs/dbraw/zinc/23/87/66/211238766.db2.gz YODSUYIGVDKBRX-SFHVURJKSA-N 1 1 357.498 3.274 40 0 FGABMO COc1ccc(CN(C)C[C@H]2CC[N@@H+](C)C2)cc1Cc1c(C)noc1C ZINC000019581002 211238770 /nfs/dbraw/zinc/23/87/70/211238770.db2.gz YODSUYIGVDKBRX-SFHVURJKSA-N 1 1 357.498 3.274 40 0 FGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@H]1CCCCO1 ZINC000019589066 211238310 /nfs/dbraw/zinc/23/83/10/211238310.db2.gz CTXYVHOQOIYLEN-BQJUDKOJSA-N 1 1 356.510 3.425 40 0 FGABMO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)cn1 ZINC000019658672 211242266 /nfs/dbraw/zinc/24/22/66/211242266.db2.gz PGWIEWCMRGEFIJ-QGZVFWFLSA-N 1 1 357.454 3.020 40 0 FGABMO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)cn1 ZINC000019658672 211242269 /nfs/dbraw/zinc/24/22/69/211242269.db2.gz PGWIEWCMRGEFIJ-QGZVFWFLSA-N 1 1 357.454 3.020 40 0 FGABMO COc1ccc2c(c1)C=C(CN1C[C@@H]3CCC[N@H+]3C[C@H]1CCSC)CO2 ZINC000019562282 211233377 /nfs/dbraw/zinc/23/33/77/211233377.db2.gz FWRWUFOWGFYNOE-RBUKOAKNSA-N 1 1 374.550 3.373 40 0 FGABMO COc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CCO)ccc1OC1CCCC1 ZINC000019550123 211230849 /nfs/dbraw/zinc/23/08/49/211230849.db2.gz VGDIWGVIUBUVLH-OALUTQOASA-N 1 1 374.525 3.048 40 0 FGABMO CCc1ncc(C[N@@H+]2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)cn1 ZINC000019523383 211229004 /nfs/dbraw/zinc/22/90/04/211229004.db2.gz SQEYECNHKIUXNO-CQSZACIVSA-N 1 1 370.482 3.234 40 0 FGABMO CCc1ncc(C[N@H+]2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)cn1 ZINC000019523383 211229009 /nfs/dbraw/zinc/22/90/09/211229009.db2.gz SQEYECNHKIUXNO-CQSZACIVSA-N 1 1 370.482 3.234 40 0 FGABMO c1cnc2ccc(C[N@@H+]3CCC[C@@H]3c3nnc(-c4cnccn4)o3)cc2c1 ZINC000019347041 211215492 /nfs/dbraw/zinc/21/54/92/211215492.db2.gz GGCCOYVKBMUITM-GOSISDBHSA-N 1 1 358.405 3.412 40 0 FGABMO c1cnc2ccc(C[N@H+]3CCC[C@@H]3c3nnc(-c4cnccn4)o3)cc2c1 ZINC000019347041 211215495 /nfs/dbraw/zinc/21/54/95/211215495.db2.gz GGCCOYVKBMUITM-GOSISDBHSA-N 1 1 358.405 3.412 40 0 FGABMO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@H+]2Cc1ccccn1 ZINC000019017778 211199617 /nfs/dbraw/zinc/19/96/17/211199617.db2.gz UNXRVUSFQKDFCB-NJDAHSKKSA-N 1 1 353.441 3.200 40 0 FGABMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)c(F)c1 ZINC000257311950 533558773 /nfs/dbraw/zinc/55/87/73/533558773.db2.gz ULSVNOQJRSPEGU-HXUWFJFHSA-N 1 1 357.429 3.203 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)c(F)c1 ZINC000257311950 533558777 /nfs/dbraw/zinc/55/87/77/533558777.db2.gz ULSVNOQJRSPEGU-HXUWFJFHSA-N 1 1 357.429 3.203 40 0 FGABMO CC(C)[C@@H](CO)Nc1cc(N2CCc3ccccc3C2)nc(C2CC2)[nH+]1 ZINC000329057231 132373037 /nfs/dbraw/zinc/37/30/37/132373037.db2.gz VWIVQBALBBUSND-GOSISDBHSA-N 1 1 352.482 3.346 40 0 FGABMO CC(C)[C@@H](CO)Nc1cc(N2CCc3ccccc3C2)[nH+]c(C2CC2)n1 ZINC000329057231 132373038 /nfs/dbraw/zinc/37/30/38/132373038.db2.gz VWIVQBALBBUSND-GOSISDBHSA-N 1 1 352.482 3.346 40 0 FGABMO CCOC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2cn(CC3CC3)nc21 ZINC000096059970 222007152 /nfs/dbraw/zinc/00/71/52/222007152.db2.gz BSVRMIFRVNLDTR-IBGZPJMESA-N 1 1 355.482 3.438 40 0 FGABMO CCOC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2cn(CC3CC3)nc21 ZINC000096059970 222007154 /nfs/dbraw/zinc/00/71/54/222007154.db2.gz BSVRMIFRVNLDTR-IBGZPJMESA-N 1 1 355.482 3.438 40 0 FGABMO Fc1ccc(C[N@H+]2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)cc1 ZINC000096062433 222008937 /nfs/dbraw/zinc/00/89/37/222008937.db2.gz ACCIQITVOKZIPE-LJQANCHMSA-N 1 1 361.486 3.007 40 0 FGABMO c1nc2c(n1CC1CC1)[C@@H](COCc1cccnc1)C[N@H+](C1CCC1)C2 ZINC000096068680 222010058 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C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000257206523 530059024 /nfs/dbraw/zinc/05/90/24/530059024.db2.gz BDWBHNBZJSBDDO-ICSRJNTNSA-N 1 1 356.445 3.305 40 0 FGABMO C[N@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000257206523 530059025 /nfs/dbraw/zinc/05/90/25/530059025.db2.gz BDWBHNBZJSBDDO-ICSRJNTNSA-N 1 1 356.445 3.305 40 0 FGABMO Cc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccccn4)C2)OC3)cc1 ZINC000306126156 210049904 /nfs/dbraw/zinc/04/99/04/210049904.db2.gz DOMPJLXWTJWSNX-QFIPXVFZSA-N 1 1 360.461 3.428 40 0 FGABMO c1csc(C[N@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)n1 ZINC000306126602 210048125 /nfs/dbraw/zinc/04/81/25/210048125.db2.gz DZXUAKSPKCWPPQ-FQEVSTJZSA-N 1 1 363.490 3.097 40 0 FGABMO c1csc(C[N@@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)n1 ZINC000306126602 210048131 /nfs/dbraw/zinc/04/81/31/210048131.db2.gz DZXUAKSPKCWPPQ-FQEVSTJZSA-N 1 1 363.490 3.097 40 0 FGABMO Cn1cncc1C[N@H+]1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257216292 223023017 /nfs/dbraw/zinc/02/30/17/223023017.db2.gz CTWMJNYGRLLPDY-LFGUQSLTSA-N 1 1 353.466 3.312 40 0 FGABMO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@H+](Cc3ccn(C)n3)C2)nc1 ZINC000257254693 223038621 /nfs/dbraw/zinc/03/86/21/223038621.db2.gz KEGSXRWFIZYVNK-KRWDZBQOSA-N 1 1 351.454 3.467 40 0 FGABMO Cc1noc(C)c1-c1ccnc(C2CC[NH+](Cc3cn(C)cn3)CC2)c1 ZINC000257305556 223058863 /nfs/dbraw/zinc/05/88/63/223058863.db2.gz SQNQLLCPIUORGK-UHFFFAOYSA-N 1 1 351.454 3.467 40 0 FGABMO Cc1cc(-c2nccn2C)nc([C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257304084 223057684 /nfs/dbraw/zinc/05/76/84/223057684.db2.gz SJZOQXAHCALXJX-AWEZNQCLSA-N 1 1 354.483 3.022 40 0 FGABMO Cc1cc(-c2nccn2C)nc([C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257304084 223057687 /nfs/dbraw/zinc/05/76/87/223057687.db2.gz SJZOQXAHCALXJX-AWEZNQCLSA-N 1 1 354.483 3.022 40 0 FGABMO Fc1ccc(Cc2cnc([C@@H]3C[N@H+](CC4CCOCC4)CCO3)o2)cc1 ZINC000257324564 223065310 /nfs/dbraw/zinc/06/53/10/223065310.db2.gz WPGRWUVRUUTXDV-IBGZPJMESA-N 1 1 360.429 3.204 40 0 FGABMO Fc1ccc(Cc2cnc([C@@H]3C[N@@H+](CC4CCOCC4)CCO3)o2)cc1 ZINC000257324564 223065313 /nfs/dbraw/zinc/06/53/13/223065313.db2.gz WPGRWUVRUUTXDV-IBGZPJMESA-N 1 1 360.429 3.204 40 0 FGABMO C[C@@H](C[NH+]1CCOCC1)n1cncc1-c1cnn(-c2ccc(Cl)cc2)c1 ZINC000019719543 211251758 /nfs/dbraw/zinc/25/17/58/211251758.db2.gz PQYGOSVWVPQWJE-HNNXBMFYSA-N 1 1 371.872 3.282 40 0 FGABMO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCC[N@H+]2C2CCCCC2)n1 ZINC000019709794 211247314 /nfs/dbraw/zinc/24/73/14/211247314.db2.gz ZVBMGWLGWQEAPL-GOSISDBHSA-N 1 1 359.518 3.356 40 0 FGABMO COc1ccccc1OCCC[NH+]1CCN(C(=O)C2[C@@H]3CCCC[C@H]23)CC1 ZINC000019571485 211236597 /nfs/dbraw/zinc/23/65/97/211236597.db2.gz PBJIWUSEDPWPRN-HTZLVSCSSA-N 1 1 372.509 3.045 40 0 FGABMO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC000019405003 211221996 /nfs/dbraw/zinc/22/19/96/211221996.db2.gz PJMSMTLQVPRZSW-UFYCRDLUSA-N 1 1 367.518 3.483 40 0 FGABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)N4CCCC4)on3)C2)c1 ZINC000019565123 211233492 /nfs/dbraw/zinc/23/34/92/211233492.db2.gz KHWKIJGJWWXLNX-KRWDZBQOSA-N 1 1 369.465 3.299 40 0 FGABMO COc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2Cc2ccccc2)ccc1O ZINC000019550097 211231138 /nfs/dbraw/zinc/23/11/38/211231138.db2.gz HGDQBJWEIVWYPB-VQTJNVASSA-N 1 1 352.478 3.292 40 0 FGABMO CCc1ncc(C[N@@H+](Cc2ccc(OC)c(OC)c2)C[C@@H]2CCCO2)cn1 ZINC000019523290 211228320 /nfs/dbraw/zinc/22/83/20/211228320.db2.gz ISMUGVMFUHPILJ-SFHVURJKSA-N 1 1 371.481 3.237 40 0 FGABMO CCc1ncc(C[N@H+](Cc2ccc(OC)c(OC)c2)C[C@@H]2CCCO2)cn1 ZINC000019523290 211228328 /nfs/dbraw/zinc/22/83/28/211228328.db2.gz ISMUGVMFUHPILJ-SFHVURJKSA-N 1 1 371.481 3.237 40 0 FGABMO CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)cc1OC ZINC000019533928 220269109 /nfs/dbraw/zinc/26/91/09/220269109.db2.gz HVBUGBJWNVVDMW-SVMVAKDDSA-N 1 1 368.477 3.219 40 0 FGABMO CNc1cc([C@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)ccn1 ZINC000257284671 533055565 /nfs/dbraw/zinc/05/55/65/533055565.db2.gz PDTFFNSZCBNSBM-KRWDZBQOSA-N 1 1 355.486 3.240 40 0 FGABMO CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022587044 220390827 /nfs/dbraw/zinc/39/08/27/220390827.db2.gz JXNSNYXXAYEPMB-ZRCGQRJVSA-N 1 1 369.553 3.135 40 0 FGABMO CC[C@H](C)Nc1cc(N2CCc3cc(C(=O)OC)ccc3C2)[nH+]c(C)n1 ZINC000328960977 132371940 /nfs/dbraw/zinc/37/19/40/132371940.db2.gz AZVPCWNHWDWIRF-ZDUSSCGKSA-N 1 1 354.454 3.345 40 0 FGABMO Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2-c2sccc2C)on1 ZINC000012155293 132852957 /nfs/dbraw/zinc/85/29/57/132852957.db2.gz YTXRRAUXUYRQMQ-UHFFFAOYSA-N 1 1 355.467 3.229 40 0 FGABMO Cc1nc(CO[C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2)cs1 ZINC000096107624 222026824 /nfs/dbraw/zinc/02/68/24/222026824.db2.gz WLNITLAHRCHDPK-IRXDYDNUSA-N 1 1 350.509 3.463 40 0 FGABMO FC(F)(F)Oc1ccc(C[N@@H+]2CCOC[C@H](Oc3cccnc3)C2)cc1 ZINC000096113205 222030984 /nfs/dbraw/zinc/03/09/84/222030984.db2.gz NXXGWCWQOVYWOQ-QGZVFWFLSA-N 1 1 368.355 3.260 40 0 biogenic,in-vitro FGABMO FC(F)(F)Oc1ccc(C[N@H+]2CCOC[C@H](Oc3cccnc3)C2)cc1 ZINC000096113205 222030987 /nfs/dbraw/zinc/03/09/87/222030987.db2.gz NXXGWCWQOVYWOQ-QGZVFWFLSA-N 1 1 368.355 3.260 40 0 biogenic,in-vitro FGABMO Cn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)cn1 ZINC000096047551 222000102 /nfs/dbraw/zinc/00/01/02/222000102.db2.gz BXNAJNNGGCGOGX-NRFANRHFSA-N 1 1 370.472 3.107 40 0 FGABMO O=C(CCc1cccnc1)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096245517 222100314 /nfs/dbraw/zinc/10/03/14/222100314.db2.gz IIEGMLLZJXFTFE-KDURUIRLSA-N 1 1 369.896 3.258 40 0 FGABMO Cc1noc(C)c1C[N@H+]1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC000096255275 222102332 /nfs/dbraw/zinc/10/23/32/222102332.db2.gz JAWUBSLANHYJKB-UHFFFAOYSA-N 1 1 352.413 3.488 40 0 FGABMO O=C(Nc1ccccc1F)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259324 222103213 /nfs/dbraw/zinc/10/32/13/222103213.db2.gz UZUQIFZOHJIEPU-UHFFFAOYSA-N 1 1 357.433 3.056 40 0 FGABMO O=S1(=O)c2ccccc2[C@]2(CC[N@@H+](CC3CC3)C2)N1Cc1ccccc1 ZINC000096261916 222104739 /nfs/dbraw/zinc/10/47/39/222104739.db2.gz FVVUSFLYSWKBAN-OAQYLSRUSA-N 1 1 368.502 3.202 40 0 FGABMO O=C(NCc1cccs1)[C@H]1C[C@]2(CO1)c1ccccc1C[N@@H+]2CC1CC1 ZINC000096143906 222047380 /nfs/dbraw/zinc/04/73/80/222047380.db2.gz RMEJOMFJHNTONG-CTNGQTDRSA-N 1 1 368.502 3.274 40 0 FGABMO CC(C)n1c(C(=O)N2CCC[N@@H+](C)CC2)cc2c1c1ccccc1n2C ZINC000096146289 222048773 /nfs/dbraw/zinc/04/87/73/222048773.db2.gz CXSQUVPYAYCVKM-UHFFFAOYSA-N 1 1 352.482 3.492 40 0 FGABMO O=C(c1cscn1)N1CCC2(CCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000096158497 222057625 /nfs/dbraw/zinc/05/76/25/222057625.db2.gz ARXLWTHQRQLOKV-UHFFFAOYSA-N 1 1 356.495 3.057 40 0 FGABMO Cc1ccc(C[N@@H+]2CCC[C@]23CCN(S(=O)(=O)c2ccccc2)C3)o1 ZINC000096203091 222075280 /nfs/dbraw/zinc/07/52/80/222075280.db2.gz BXFNTASPYBLHDX-LJQANCHMSA-N 1 1 360.479 3.017 40 0 FGABMO Cc1ccc(C[N@H+]2CCC[C@]23CCN(S(=O)(=O)c2ccccc2)C3)o1 ZINC000096203091 222075281 /nfs/dbraw/zinc/07/52/81/222075281.db2.gz BXFNTASPYBLHDX-LJQANCHMSA-N 1 1 360.479 3.017 40 0 FGABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(C(=O)c1cc3ccccc3s1)CC2 ZINC000096207576 222075826 /nfs/dbraw/zinc/07/58/26/222075826.db2.gz QZEXDRYXNANCKJ-INIZCTEOSA-N 1 1 358.507 3.474 40 0 FGABMO COc1ccccc1C[N@H+]1CC[C@]2(C1)C[C@H](Nc1ccccn1)CCO2 ZINC000096206028 222076475 /nfs/dbraw/zinc/07/64/75/222076475.db2.gz RZKLKBJOAYHMDZ-WIYYLYMNSA-N 1 1 353.466 3.326 40 0 FGABMO Cc1nc(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)sc1C ZINC000035312973 494073971 /nfs/dbraw/zinc/07/39/71/494073971.db2.gz IYFFJMQFYVJTMU-UHFFFAOYSA-N 1 1 369.494 3.454 40 0 FGABMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)NCCC1=CCCCC1 ZINC000035311541 494074283 /nfs/dbraw/zinc/07/42/83/494074283.db2.gz YDBFLRNFFYTXFY-UHFFFAOYSA-N 1 1 355.526 3.247 40 0 FGABMO COc1cccc(C(=O)N2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000035835361 494082357 /nfs/dbraw/zinc/08/23/57/494082357.db2.gz BBEMCIMKDSHOGW-HXUWFJFHSA-N 1 1 350.462 3.358 40 0 FGABMO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038858770 494118965 /nfs/dbraw/zinc/11/89/65/494118965.db2.gz ZIZUWOIDLVDRGV-QGZVFWFLSA-N 1 1 370.424 3.083 40 0 FGABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N(C)C)[nH+]c2C)cc1 ZINC000072218749 494145146 /nfs/dbraw/zinc/14/51/46/494145146.db2.gz IVYLZIWPFKXJLR-GOSISDBHSA-N 1 1 359.495 3.290 40 0 FGABMO COCc1ccc(OC)c(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)c1 ZINC000072343291 494155128 /nfs/dbraw/zinc/15/51/28/494155128.db2.gz FIPQWHFJBRGSRI-FPOVZHCZSA-N 1 1 366.461 3.385 40 0 FGABMO COCc1ccc(OC)c(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)c1 ZINC000072343291 494155134 /nfs/dbraw/zinc/15/51/34/494155134.db2.gz FIPQWHFJBRGSRI-FPOVZHCZSA-N 1 1 366.461 3.385 40 0 FGABMO Cc1nccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072350504 494156177 /nfs/dbraw/zinc/15/61/77/494156177.db2.gz CAEBPYLBWQWKCJ-KRWDZBQOSA-N 1 1 351.429 3.489 40 0 FGABMO Cc1cccnc1Nc1nccc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072378014 494160688 /nfs/dbraw/zinc/16/06/88/494160688.db2.gz KXONFXABXDVIHM-QGZVFWFLSA-N 1 1 363.469 3.037 40 0 FGABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@@H](NC(C)=O)c2nccs2)C1 ZINC000012157611 494210434 /nfs/dbraw/zinc/21/04/34/494210434.db2.gz MXVZUPFHVQXZCO-FUHWJXTLSA-N 1 1 359.495 3.241 40 0 FGABMO O[C@@H](C[NH+]1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)CCO2 ZINC000019349908 494442954 /nfs/dbraw/zinc/44/29/54/494442954.db2.gz VGXRBXQZUHOGGC-IBGZPJMESA-N 1 1 358.869 3.131 40 0 FGABMO Cn1cc(C[N@H+]2CC[C@@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)cn1 ZINC000019704719 494455493 /nfs/dbraw/zinc/45/54/93/494455493.db2.gz PYILHLJDZOYJJY-OAHLLOKOSA-N 1 1 371.872 3.365 40 0 FGABMO Cn1cc(C[N@@H+]2CC[C@@H](c3cc(COc4ccc(Cl)cc4)n[nH]3)C2)cn1 ZINC000019704719 494455494 /nfs/dbraw/zinc/45/54/94/494455494.db2.gz PYILHLJDZOYJJY-OAHLLOKOSA-N 1 1 371.872 3.365 40 0 FGABMO Cn1cc(C[N@H+]2CC[C@@H](c3cc(COc4ccc(Cl)cc4)n[nH]3)C2)cn1 ZINC000019704719 494455495 /nfs/dbraw/zinc/45/54/95/494455495.db2.gz PYILHLJDZOYJJY-OAHLLOKOSA-N 1 1 371.872 3.365 40 0 FGABMO Cn1nc([C@@H]2CCCN2C(=O)c2cccc3cccnc32)cc1C[NH+](C)C ZINC000019709085 494456661 /nfs/dbraw/zinc/45/66/61/494456661.db2.gz WKQHGFLXAAFQHA-IBGZPJMESA-N 1 1 363.465 3.007 40 0 FGABMO Cc1ncsc1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096040048 494997686 /nfs/dbraw/zinc/99/76/86/494997686.db2.gz BMHZUFYHTAGWDH-RTBURBONSA-N 1 1 359.495 3.297 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)cc1 ZINC000096048626 494999618 /nfs/dbraw/zinc/99/96/18/494999618.db2.gz ZJARVPJVDZHVNG-QFIPXVFZSA-N 1 1 365.477 3.105 40 0 FGABMO C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(C(=O)CCc1ccccc1)CC2 ZINC000247960335 496933235 /nfs/dbraw/zinc/93/32/35/496933235.db2.gz DELPNPFKSOANGR-NRFANRHFSA-N 1 1 370.537 3.216 40 0 FGABMO COc1cc2c(cc1OC)[C@@H](C)[N@H+]([C@H]1CCCN(C(=O)C(C)C)C1)CC2 ZINC000248138766 496961777 /nfs/dbraw/zinc/96/17/77/496961777.db2.gz BBANAOAFNNVANU-WBVHZDCISA-N 1 1 360.498 3.270 40 0 FGABMO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000216253267 496987791 /nfs/dbraw/zinc/98/77/91/496987791.db2.gz QRRALXMPIIKLFU-MRXNPFEDSA-N 1 1 356.919 3.049 40 0 FGABMO CCOC[C@@]1([NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218553909 497003926 /nfs/dbraw/zinc/00/39/26/497003926.db2.gz JXVIQCKIXQWPEJ-FGTMMUONSA-N 1 1 365.882 3.014 40 0 FGABMO CCOC[C@]1([NH3+])[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242390200 497354247 /nfs/dbraw/zinc/35/42/47/497354247.db2.gz AEBBIAOOYUWOIX-KSZLIROESA-N 1 1 365.882 3.014 40 0 FGABMO COCC[N@H+]1CCC[C@@]12CCCN(C(=O)Cc1cc(F)cc(F)c1)CC2 ZINC000585100601 507568034 /nfs/dbraw/zinc/56/80/34/507568034.db2.gz PGKRURDFYAAVCK-HXUWFJFHSA-N 1 1 366.452 3.001 40 0 FGABMO Cc1ccccc1C[N@H+]1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585103285 507568056 /nfs/dbraw/zinc/56/80/56/507568056.db2.gz AVDZGKXVEVGDOW-HSZRJFAPSA-N 1 1 364.489 3.246 40 0 FGABMO O=C(c1nccc2ccccc21)N1CCC[C@@]2(CC[N@H+]2C[C@H]2CCCO2)C1 ZINC000585102108 507569097 /nfs/dbraw/zinc/56/90/97/507569097.db2.gz RVRDORXXJHDBFO-XMSQKQJNSA-N 1 1 365.477 3.094 40 0 FGABMO Cc1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)C(C)(C)C)[C@H]3C2)n(C)n1 ZINC000585109585 507573832 /nfs/dbraw/zinc/57/38/32/507573832.db2.gz XKWHXDBELXQQPY-SLFFLAALSA-N 1 1 366.509 3.161 40 0 FGABMO O[C@H]1CC[N@H+](C2CCCCCC2)C[C@]1(O)COc1cccc(Cl)c1 ZINC000585282057 507583531 /nfs/dbraw/zinc/58/35/31/507583531.db2.gz GSLKHUCITUTHKL-OALUTQOASA-N 1 1 353.890 3.239 40 0 FGABMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccsc3)C2)cc(C(=O)N(C)C)n1 ZINC000257225833 534410170 /nfs/dbraw/zinc/41/01/70/534410170.db2.gz FIBPHVVBVHDNOI-HNNXBMFYSA-N 1 1 358.511 3.003 40 0 FGABMO CC[C@H](Oc1ccc(F)cc1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020038196 522874154 /nfs/dbraw/zinc/87/41/54/522874154.db2.gz BGAWWIFNYXYLOD-FCEWJHQRSA-N 1 1 350.478 3.467 40 0 FGABMO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3c[nH]nc3C)C2)s1 ZINC000257279768 526096640 /nfs/dbraw/zinc/09/66/40/526096640.db2.gz OICHWMRUVAULAI-CQSZACIVSA-N 1 1 369.498 3.396 40 0 FGABMO Cc1ccc(S(=O)(=O)N2CCC3(CC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000216646404 568133191 /nfs/dbraw/zinc/13/31/91/568133191.db2.gz AYIBHUKUVUPEII-UHFFFAOYSA-N 1 1 370.518 3.424 40 0 FGABMO OCC[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000624289071 571145755 /nfs/dbraw/zinc/14/57/55/571145755.db2.gz DBOAYYGZVBRDJX-ROUUACIJSA-N 1 1 373.324 3.260 40 0 FGABMO C[N@H+]1CCN(Cc2cscn2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257286235 529775102 /nfs/dbraw/zinc/77/51/02/529775102.db2.gz PKVASMSXXAVPRV-INIZCTEOSA-N 1 1 352.507 3.298 40 0 FGABMO C[NH+]1CCN(C(=O)Cc2cccc(-c3nc4cc(Cl)ccc4o3)c2)CC1 ZINC000041127658 210186591 /nfs/dbraw/zinc/18/65/91/210186591.db2.gz CYJQLXKEQLRHDD-UHFFFAOYSA-N 1 1 369.852 3.465 40 0 FGABMO CCOC[C@]1([NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218063632 222677636 /nfs/dbraw/zinc/67/76/36/222677636.db2.gz AEBBIAOOYUWOIX-SQNIBIBYSA-N 1 1 365.882 3.014 40 0 FGABMO COc1ccccc1-c1cnc2n1C[C@@]1(CC[N@@H+](Cc3ccccn3)C1)C2 ZINC000306143685 210058668 /nfs/dbraw/zinc/05/86/68/210058668.db2.gz YIXZZYWRJMQNTR-QFIPXVFZSA-N 1 1 360.461 3.402 40 0 FGABMO COc1ccccc1-c1cnc2n1C[C@]1(CC[N@@H+](Cc3cccnc3)C1)C2 ZINC000306143666 210057203 /nfs/dbraw/zinc/05/72/03/210057203.db2.gz YIMBSWNVORRCCR-JOCHJYFZSA-N 1 1 360.461 3.402 40 0 FGABMO c1csc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 ZINC000306132290 210052705 /nfs/dbraw/zinc/05/27/05/210052705.db2.gz LEBDQTSDUDKQHA-MRXNPFEDSA-N 1 1 362.462 3.237 40 0 FGABMO c1csc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 ZINC000306132290 210052710 /nfs/dbraw/zinc/05/27/10/210052710.db2.gz LEBDQTSDUDKQHA-MRXNPFEDSA-N 1 1 362.462 3.237 40 0 FGABMO CN1CCN(C(=O)C2CC2)C[C@@H]1c1[nH+]cn2cc(-c3ccccc3)ccc12 ZINC000306128348 210051568 /nfs/dbraw/zinc/05/15/68/210051568.db2.gz GYJFWHFVDMVKRH-HXUWFJFHSA-N 1 1 360.461 3.226 40 0 FGABMO C[C@@H]1C[N@H+](C[C@H](O)COCC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000040373073 210043506 /nfs/dbraw/zinc/04/35/06/210043506.db2.gz DKCREKPEBXMOPS-JQVVWYNYSA-N 1 1 369.505 3.305 40 0 FGABMO Cc1ncc(-c2nccnc2CC2CC[NH+](Cc3cscn3)CC2)n1C ZINC000257244252 223034260 /nfs/dbraw/zinc/03/42/60/223034260.db2.gz IKNXQECGTTXURW-UHFFFAOYSA-N 1 1 368.510 3.097 40 0 FGABMO Cc1c[nH]c(-c2cc(CC3CC[NH+](Cc4cscn4)CC3)ncn2)n1 ZINC000257244824 223035775 /nfs/dbraw/zinc/03/57/75/223035775.db2.gz IMYVWRRRMLLXRS-UHFFFAOYSA-N 1 1 354.483 3.086 40 0 FGABMO Cc1cnccc1C[N@@H+]1CCC[C@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000257332128 223069713 /nfs/dbraw/zinc/06/97/13/223069713.db2.gz XVWMRNTUEKBSTM-IBGZPJMESA-N 1 1 374.448 3.164 40 0 FGABMO Cc1cnccc1C[N@H+]1CCC[C@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000257332128 223069715 /nfs/dbraw/zinc/06/97/15/223069715.db2.gz XVWMRNTUEKBSTM-IBGZPJMESA-N 1 1 374.448 3.164 40 0 FGABMO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000257330480 223067952 /nfs/dbraw/zinc/06/79/52/223067952.db2.gz XOPMYJJMARBIFK-LBPRGKRZSA-N 1 1 372.519 3.444 40 0 FGABMO Clc1ccc(C[N@@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)nc1 ZINC000257341612 223072439 /nfs/dbraw/zinc/07/24/39/223072439.db2.gz ZLBKWHVLUYNFRM-AWEZNQCLSA-N 1 1 354.845 3.090 40 0 FGABMO Clc1ccc(C[N@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)nc1 ZINC000257341612 223072441 /nfs/dbraw/zinc/07/24/41/223072441.db2.gz ZLBKWHVLUYNFRM-AWEZNQCLSA-N 1 1 354.845 3.090 40 0 FGABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020107357 211267363 /nfs/dbraw/zinc/26/73/63/211267363.db2.gz YASXVFJKHLZSRQ-UHFFFAOYSA-N 1 1 361.854 3.313 40 0 FGABMO Nc1n[nH]c2nc([C@@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)ccc12 ZINC000019742825 211253599 /nfs/dbraw/zinc/25/35/99/211253599.db2.gz RADDXMLYAFOSBO-OAHLLOKOSA-N 1 1 358.449 3.468 40 0 FGABMO Nc1[nH]nc2nc([C@@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)ccc12 ZINC000019742825 211253606 /nfs/dbraw/zinc/25/36/06/211253606.db2.gz RADDXMLYAFOSBO-OAHLLOKOSA-N 1 1 358.449 3.468 40 0 FGABMO Nc1[nH]nc2nc([C@@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)ccc12 ZINC000019742825 211253612 /nfs/dbraw/zinc/25/36/12/211253612.db2.gz RADDXMLYAFOSBO-OAHLLOKOSA-N 1 1 358.449 3.468 40 0 FGABMO Cc1cc(C)cc(C2(C(=O)NCC[N@H+](C)C3CCCC3)CCOCC2)c1 ZINC000019662005 211245786 /nfs/dbraw/zinc/24/57/86/211245786.db2.gz ZTLDNHFIJZDJQR-UHFFFAOYSA-N 1 1 358.526 3.342 40 0 FGABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc(CC)cc(=O)[nH]3)C2)cc1OC ZINC000019522502 211227567 /nfs/dbraw/zinc/22/75/67/211227567.db2.gz IOHVLZHQNJBHTN-MRXNPFEDSA-N 1 1 371.481 3.119 40 0 FGABMO O[C@@]1(c2ccccn2)CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)C[C@H]21 ZINC000019402282 211220811 /nfs/dbraw/zinc/22/08/11/211220811.db2.gz YCBFYGLYHCSMMH-NBQZKYEYSA-N 1 1 366.490 3.263 40 0 FGABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000019288232 211212820 /nfs/dbraw/zinc/21/28/20/211212820.db2.gz DXBPJCRAKIFLDG-QFIPXVFZSA-N 1 1 374.488 3.369 40 0 FGABMO CCOc1cc2c(cc1C[NH+]1CCC(O)(c3ccccc3F)CC1)OCO2 ZINC000012240469 210933426 /nfs/dbraw/zinc/93/34/26/210933426.db2.gz ALSVUYYXIIDXDB-UHFFFAOYSA-N 1 1 373.424 3.437 40 0 FGABMO COc1cccc(C[N@@H+]2CCN(C(=O)Cc3ccc(C)cc3)[C@@H](C)C2)c1 ZINC000057729002 221093024 /nfs/dbraw/zinc/09/30/24/221093024.db2.gz ZHUSIPRYJSWLJX-SFHVURJKSA-N 1 1 352.478 3.279 40 0 FGABMO COc1cccc(C[N@H+]2CCN(C(=O)Cc3ccc(C)cc3)[C@@H](C)C2)c1 ZINC000057729002 221093027 /nfs/dbraw/zinc/09/30/27/221093027.db2.gz ZHUSIPRYJSWLJX-SFHVURJKSA-N 1 1 352.478 3.279 40 0 FGABMO COc1cccc(-c2cc(C(=O)N3CCC[C@@H]4[N@@H+](C)CCC[C@@]43C)[nH]n2)c1 ZINC000257333980 533367219 /nfs/dbraw/zinc/36/72/19/533367219.db2.gz YDZJDMDZADLHAF-FPOVZHCZSA-N 1 1 368.481 3.174 40 0 FGABMO COc1cccc(-c2cc(C(=O)N3CCC[C@@H]4[N@H+](C)CCC[C@@]43C)n[nH]2)c1 ZINC000257333980 533367222 /nfs/dbraw/zinc/36/72/22/533367222.db2.gz YDZJDMDZADLHAF-FPOVZHCZSA-N 1 1 368.481 3.174 40 0 FGABMO COc1cccc(-c2cc(C(=O)N3CCC[C@@H]4[N@@H+](C)CCC[C@@]43C)n[nH]2)c1 ZINC000257333980 533367226 /nfs/dbraw/zinc/36/72/26/533367226.db2.gz YDZJDMDZADLHAF-FPOVZHCZSA-N 1 1 368.481 3.174 40 0 FGABMO CO[C@@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)CC[C@@]12CCCO2 ZINC000257273994 533471918 /nfs/dbraw/zinc/47/19/18/533471918.db2.gz NJBWGBOYSIFWPR-CTNGQTDRSA-N 1 1 354.450 3.048 40 0 FGABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)CC[C@@]12CCCO2 ZINC000257273994 533471921 /nfs/dbraw/zinc/47/19/21/533471921.db2.gz NJBWGBOYSIFWPR-CTNGQTDRSA-N 1 1 354.450 3.048 40 0 FGABMO Cc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4ccc(C)nn4)C3)C2)s1 ZINC000096226547 132222757 /nfs/dbraw/zinc/22/27/57/132222757.db2.gz FDVXTCWNZFNSED-LJQANCHMSA-N 1 1 358.511 3.026 40 0 FGABMO Cc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4ccc(C)nn4)C3)C2)s1 ZINC000096226547 132222759 /nfs/dbraw/zinc/22/27/59/132222759.db2.gz FDVXTCWNZFNSED-LJQANCHMSA-N 1 1 358.511 3.026 40 0 FGABMO C[C@@H](CO)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329002197 132372260 /nfs/dbraw/zinc/37/22/60/132372260.db2.gz KGLKVHYOYVVKMT-LBPRGKRZSA-N 1 1 358.873 3.363 40 0 FGABMO C[C@@H](CO)Nc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329002197 132372261 /nfs/dbraw/zinc/37/22/61/132372261.db2.gz KGLKVHYOYVVKMT-LBPRGKRZSA-N 1 1 358.873 3.363 40 0 FGABMO COc1ccc(O[C@H]2COCC[N@@H+](Cc3c[nH]c4ccccc34)C2)cc1 ZINC000096113226 222031167 /nfs/dbraw/zinc/03/11/67/222031167.db2.gz VOMVVSQPDWIECJ-LJQANCHMSA-N 1 1 352.434 3.456 40 0 biogenic,in-vitro FGABMO O=C1C[C@]2(CC[N@@H+](Cc3ccsc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050765 222002082 /nfs/dbraw/zinc/00/20/82/222002082.db2.gz HXLNDTYQYJXUSI-IBGZPJMESA-N 1 1 356.447 3.106 40 0 FGABMO O=C(Nc1ccccc1)[C@H]1C[N@@H+](Cc2nccs2)CC12CCOCC2 ZINC000096052252 222002844 /nfs/dbraw/zinc/00/28/44/222002844.db2.gz SQDINICZNUUZDV-MRXNPFEDSA-N 1 1 357.479 3.010 40 0 FGABMO O=C(Nc1ccccc1)[C@@H]1C[N@@H+](Cc2nccs2)CC12CCOCC2 ZINC000096052251 222003590 /nfs/dbraw/zinc/00/35/90/222003590.db2.gz SQDINICZNUUZDV-INIZCTEOSA-N 1 1 357.479 3.010 40 0 FGABMO Fc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)cc1 ZINC000096058345 222006649 /nfs/dbraw/zinc/00/66/49/222006649.db2.gz KXEIOMGFPBFSSC-FKBYEOEOSA-N 1 1 352.453 3.428 40 0 FGABMO COc1ccc(CN2CCOC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062404 222008706 /nfs/dbraw/zinc/00/87/06/222008706.db2.gz HOGMRNNLBUQERZ-NRFANRHFSA-N 1 1 372.534 3.481 40 0 FGABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COCc4cccc(C)n4)C[C@H]32)o1 ZINC000096250714 222100387 /nfs/dbraw/zinc/10/03/87/222100387.db2.gz LPVZQJXTNJXEQT-IOMROCGXSA-N 1 1 356.466 3.488 40 0 FGABMO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COCc4cccc(C)n4)C[C@H]32)o1 ZINC000096250714 222100390 /nfs/dbraw/zinc/10/03/90/222100390.db2.gz LPVZQJXTNJXEQT-IOMROCGXSA-N 1 1 356.466 3.488 40 0 FGABMO Cc1ccc(CN2CCOC3(CC[NH+](Cc4ccncc4)CC3)C2)cc1 ZINC000096158886 222057917 /nfs/dbraw/zinc/05/79/17/222057917.db2.gz GFLFASZKUPTJJU-UHFFFAOYSA-N 1 1 351.494 3.257 40 0 FGABMO Cc1cccc(C(=O)N2CCC3(CC[C@H](COCC4CC4)[N@@H+]3C)CC2)c1 ZINC000096209128 222078476 /nfs/dbraw/zinc/07/84/76/222078476.db2.gz JLRAENZGORLHCP-HXUWFJFHSA-N 1 1 356.510 3.491 40 0 FGABMO C[N@@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000096215179 222080304 /nfs/dbraw/zinc/08/03/04/222080304.db2.gz YZFBTSATAUNEKF-FGZHOGPDSA-N 1 1 351.494 3.052 40 0 FGABMO C[N@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000096215179 222080308 /nfs/dbraw/zinc/08/03/08/222080308.db2.gz YZFBTSATAUNEKF-FGZHOGPDSA-N 1 1 351.494 3.052 40 0 FGABMO CN1C[C@H](COCc2cccnc2)[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096215179 222080317 /nfs/dbraw/zinc/08/03/17/222080317.db2.gz YZFBTSATAUNEKF-FGZHOGPDSA-N 1 1 351.494 3.052 40 0 FGABMO CN1C[C@H](COCc2cccnc2)[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096215179 222080320 /nfs/dbraw/zinc/08/03/20/222080320.db2.gz YZFBTSATAUNEKF-FGZHOGPDSA-N 1 1 351.494 3.052 40 0 FGABMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ccc[nH]4)C3)C2)c1 ZINC000096215628 222080541 /nfs/dbraw/zinc/08/05/41/222080541.db2.gz AAUFDWDIEWHLSZ-OAQYLSRUSA-N 1 1 353.466 3.152 40 0 FGABMO c1ccc(C[N@H+]2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000101150357 222263057 /nfs/dbraw/zinc/26/30/57/222263057.db2.gz SVLVBPZYBXWCGJ-QFIPXVFZSA-N 1 1 358.445 3.213 40 0 FGABMO CCn1ncc(CN2Cc3cc(C)ccc3OC3(CC[NH+](C)CC3)C2)c1C ZINC000072394187 494163542 /nfs/dbraw/zinc/16/35/42/494163542.db2.gz PEOJKIVCLMTDPQ-UHFFFAOYSA-N 1 1 368.525 3.379 40 0 FGABMO O=c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393188 494163666 /nfs/dbraw/zinc/16/36/66/494163666.db2.gz TXCCNYYNVSLXHS-MRXNPFEDSA-N 1 1 364.424 3.351 40 0 FGABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c(F)c1 ZINC000012135033 494207195 /nfs/dbraw/zinc/20/71/95/494207195.db2.gz DNETVNRYWUPQSX-HTZLVSCSSA-N 1 1 356.441 3.349 40 0 FGABMO COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc3c(c2)CCC3)C1 ZINC000012292580 494220062 /nfs/dbraw/zinc/22/00/62/494220062.db2.gz WLTDFPCOGHSCOJ-GGAORHGYSA-N 1 1 367.489 3.201 40 0 FGABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@H]3[C@H]1CCCCCN3C(C)=O)CO2 ZINC000019712172 494455849 /nfs/dbraw/zinc/45/58/49/494455849.db2.gz WXEXFIBOJWTMKF-RTWAWAEBSA-N 1 1 370.493 3.336 40 0 FGABMO Cn1nccc1C[N@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F ZINC000019713108 494456354 /nfs/dbraw/zinc/45/63/54/494456354.db2.gz NFGJJNUEPNXAHU-UXHICEINSA-N 1 1 370.472 3.105 40 0 FGABMO CCN1CCCc2cc(-c3cncn3[C@H](C)C[NH+]3CCOCC3)ccc21 ZINC000019719412 494458551 /nfs/dbraw/zinc/45/85/51/494458551.db2.gz YGHRBYUDZVLFNF-QGZVFWFLSA-N 1 1 354.498 3.216 40 0 FGABMO CCOc1ccc(-c2nnc([C@H]([NH3+])c3ccc(OC)cc3)[nH]2)cc1OCC ZINC000095533774 494989134 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C[N@H+](Cc1c[nH]cn1)[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O ZINC000257325985 529974789 /nfs/dbraw/zinc/97/47/89/529974789.db2.gz WVHJZTZASQRXRC-KVEDYDLGSA-N 1 1 369.509 3.476 40 0 FGABMO C[N@@H+](Cc1c[nH]cn1)[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O ZINC000257325985 529974790 /nfs/dbraw/zinc/97/47/90/529974790.db2.gz WVHJZTZASQRXRC-KVEDYDLGSA-N 1 1 369.509 3.476 40 0 FGABMO Cc1cccnc1Nc1cc(C[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)ncn1 ZINC000257201423 223017344 /nfs/dbraw/zinc/01/73/44/223017344.db2.gz AHQSNGCVJYHPTH-MRXNPFEDSA-N 1 1 363.469 3.101 40 0 FGABMO Cc1cccnc1Nc1cc(C[C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)ncn1 ZINC000257201423 223017346 /nfs/dbraw/zinc/01/73/46/223017346.db2.gz AHQSNGCVJYHPTH-MRXNPFEDSA-N 1 1 363.469 3.101 40 0 FGABMO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000257214020 223022454 /nfs/dbraw/zinc/02/24/54/223022454.db2.gz CKEPSHGPDFRAQF-SFHVURJKSA-N 1 1 363.465 3.158 40 0 FGABMO COc1ncc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)c2)cn1 ZINC000257265126 223043019 /nfs/dbraw/zinc/04/30/19/223043019.db2.gz LXKIPBVGPVJEDK-QGZVFWFLSA-N 1 1 362.437 3.356 40 0 FGABMO COc1ncc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)c2)cn1 ZINC000257265126 223043022 /nfs/dbraw/zinc/04/30/22/223043022.db2.gz LXKIPBVGPVJEDK-QGZVFWFLSA-N 1 1 362.437 3.356 40 0 FGABMO C[C@H]1CCC[N@@H+](CCCNC(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC000058955114 212014704 /nfs/dbraw/zinc/01/47/04/212014704.db2.gz SVUIIHYJGKSGOH-AWEZNQCLSA-N 1 1 358.404 3.322 40 0 FGABMO CCCCOc1ccc2[nH]c(C)c(CN3CC[NH+](CC)CC3)c(=O)c2c1 ZINC000022469067 211352984 /nfs/dbraw/zinc/35/29/84/211352984.db2.gz DIVNHEABHKFJLY-UHFFFAOYSA-N 1 1 357.498 3.153 40 0 FGABMO C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCn1cccn1 ZINC000019590184 211237729 /nfs/dbraw/zinc/23/77/29/211237729.db2.gz OUIBYPQAYXBZLZ-KCZVDYSFSA-N 1 1 366.509 3.142 40 0 FGABMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000019656991 211241979 /nfs/dbraw/zinc/24/19/79/211241979.db2.gz NFUOJOOYMLVJGR-KRWDZBQOSA-N 1 1 354.498 3.188 40 0 FGABMO COc1ccc(C[N@H+]2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000019236368 211210571 /nfs/dbraw/zinc/21/05/71/211210571.db2.gz JVQUXSHLPJUGID-SIKLNZKXSA-N 1 1 365.477 3.037 40 0 FGABMO C[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2ccc(Cl)cc2)CC1 ZINC000019589858 220277470 /nfs/dbraw/zinc/27/74/70/220277470.db2.gz HEYQFRJWGNVRKM-GOSISDBHSA-N 1 1 374.920 3.169 40 0 FGABMO O=S(=O)(c1ccc2ccccc2c1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000000900201 210288666 /nfs/dbraw/zinc/28/86/66/210288666.db2.gz QPKYIYQFMYDLSP-LDQXTDLNSA-N 1 1 370.518 3.335 40 0 FGABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](Cc4ccncc4)C3)nc2c1 ZINC000049169133 221020300 /nfs/dbraw/zinc/02/03/00/221020300.db2.gz ADADDBWLTNYALE-HNNXBMFYSA-N 1 1 371.462 3.006 40 0 biogenic,in-vitro FGABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@@H+](Cc4ccncc4)C3)nc2c1 ZINC000049169133 221020302 /nfs/dbraw/zinc/02/03/02/221020302.db2.gz ADADDBWLTNYALE-HNNXBMFYSA-N 1 1 371.462 3.006 40 0 biogenic,in-vitro FGABMO CO[C@@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@@]12CCCO2 ZINC000257272011 533412788 /nfs/dbraw/zinc/41/27/88/533412788.db2.gz NASNGXLMIMXCFF-CTNGQTDRSA-N 1 1 354.450 3.048 40 0 FGABMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@@]12CCCO2 ZINC000257272011 533412792 /nfs/dbraw/zinc/41/27/92/533412792.db2.gz NASNGXLMIMXCFF-CTNGQTDRSA-N 1 1 354.450 3.048 40 0 FGABMO COc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(CNC(C)=O)n2)c1F ZINC000257247772 533479899 /nfs/dbraw/zinc/47/98/99/533479899.db2.gz JAKINYMEKPMOSD-SFHVURJKSA-N 1 1 357.429 3.203 40 0 FGABMO COc1cccc(C[N@H+]2CCC[C@H]2c2cccc(CNC(C)=O)n2)c1F ZINC000257247772 533479906 /nfs/dbraw/zinc/47/99/06/533479906.db2.gz JAKINYMEKPMOSD-SFHVURJKSA-N 1 1 357.429 3.203 40 0 FGABMO COc1cccc(OCCc2cc([C@@H]3C[N@H+](CC(C)C)CCO3)[nH]n2)c1 ZINC000257251747 533666611 /nfs/dbraw/zinc/66/66/11/533666611.db2.gz JSBNEPRZNLSNGD-FQEVSTJZSA-N 1 1 359.470 3.069 40 0 FGABMO COc1cccc(OCCc2cc([C@@H]3C[N@@H+](CC(C)C)CCO3)[nH]n2)c1 ZINC000257251747 533666623 /nfs/dbraw/zinc/66/66/23/533666623.db2.gz JSBNEPRZNLSNGD-FQEVSTJZSA-N 1 1 359.470 3.069 40 0 FGABMO Cc1cccc(N2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)[nH+]1 ZINC000096063282 132218184 /nfs/dbraw/zinc/21/81/84/132218184.db2.gz ZGPOILZNRBCCCN-PZJWPPBQSA-N 1 1 353.466 3.377 40 0 FGABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)s1 ZINC000096050773 222000431 /nfs/dbraw/zinc/00/04/31/222000431.db2.gz QGZWTMGSLBXNNN-FQEVSTJZSA-N 1 1 370.474 3.414 40 0 FGABMO Fc1ccc(C[N@H+]2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)cc1 ZINC000096062432 222009684 /nfs/dbraw/zinc/00/96/84/222009684.db2.gz ACCIQITVOKZIPE-IBGZPJMESA-N 1 1 361.486 3.007 40 0 FGABMO c1ccc(CN2C[C@H]3[C@H](C[N@H+]3C3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000096244936 222099053 /nfs/dbraw/zinc/09/90/53/222099053.db2.gz ZPFGVAAOABTWTR-UPVQGACJSA-N 1 1 361.533 3.467 40 0 FGABMO c1ccc(CN2C[C@H]3[C@H](C[N@@H+]3C3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000096244936 222099055 /nfs/dbraw/zinc/09/90/55/222099055.db2.gz ZPFGVAAOABTWTR-UPVQGACJSA-N 1 1 361.533 3.467 40 0 FGABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4c(C)noc4C)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261679 222104671 /nfs/dbraw/zinc/10/46/71/222104671.db2.gz KQEZWFRMYXEOOW-PLMTUMEDSA-N 1 1 372.513 3.179 40 0 FGABMO Cc1oncc1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2[N@@H+](C)Cc1cccs1 ZINC000096183114 222069487 /nfs/dbraw/zinc/06/94/87/222069487.db2.gz XFPCJLZNVOLBGH-FHLIZLRMSA-N 1 1 359.495 3.417 40 0 FGABMO c1csc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)C2)n1 ZINC000096215728 222081961 /nfs/dbraw/zinc/08/19/61/222081961.db2.gz GRAWCLSPSHWNJL-HXUWFJFHSA-N 1 1 371.506 3.360 40 0 FGABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000029716460 493854296 /nfs/dbraw/zinc/85/42/96/493854296.db2.gz XJRTYIGMXREIHD-UHFFFAOYSA-N 1 1 364.489 3.328 40 0 FGABMO CC[C@H](Oc1ccccc1C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000030869575 493910585 /nfs/dbraw/zinc/91/05/85/493910585.db2.gz ATQNMDLCYSTHGY-FQEVSTJZSA-N 1 1 352.478 3.497 40 0 FGABMO CC[C@H]1C[N@@H+](C)[C@@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@@H]1[C@@H]2C(=O)OC ZINC000005933019 493946803 /nfs/dbraw/zinc/94/68/03/493946803.db2.gz FFVRRQMGGGTQRH-VBZWBGKMSA-N 1 1 354.450 3.042 40 0 in-vitro FGABMO C[C@H]1CCCN(c2ncc(CN3CCC([N@H+]4CCC[C@H](C)C4)CC3)cn2)C1 ZINC000036734921 494097632 /nfs/dbraw/zinc/09/76/32/494097632.db2.gz BHMOFUVINGKZKI-OALUTQOASA-N 1 1 371.573 3.409 40 0 FGABMO O=C([C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N1CCOCC1 ZINC000038832735 494118695 /nfs/dbraw/zinc/11/86/95/494118695.db2.gz OFTWEEHNKFELBR-ZDUSSCGKSA-N 1 1 357.281 3.064 40 0 FGABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227602 494145263 /nfs/dbraw/zinc/14/52/63/494145263.db2.gz DZAVYZUYQNATGO-LSDHHAIUSA-N 1 1 351.189 3.137 40 0 FGABMO OCc1ccc(-c2cncc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072359431 494157229 /nfs/dbraw/zinc/15/72/29/494157229.db2.gz XOOPQBDIPBNAQR-IBGZPJMESA-N 1 1 360.461 3.411 40 0 FGABMO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377418 494159625 /nfs/dbraw/zinc/15/96/25/494159625.db2.gz UVHUQHSIVYTNGW-QGZVFWFLSA-N 1 1 350.401 3.486 40 0 FGABMO Fc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377418 494159628 /nfs/dbraw/zinc/15/96/28/494159628.db2.gz UVHUQHSIVYTNGW-QGZVFWFLSA-N 1 1 350.401 3.486 40 0 FGABMO O=c1cc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)nc(-c2ccccn2)[nH]1 ZINC000072393194 494163276 /nfs/dbraw/zinc/16/32/76/494163276.db2.gz TWIQMJOAMFABET-INIZCTEOSA-N 1 1 364.424 3.351 40 0 FGABMO CCC(CC)C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)CC1 ZINC000072398714 494163781 /nfs/dbraw/zinc/16/37/81/494163781.db2.gz AGDRUZRUYYDLLS-UHFFFAOYSA-N 1 1 374.529 3.091 40 0 FGABMO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012241576 494216874 /nfs/dbraw/zinc/21/68/74/494216874.db2.gz ZDTPSPJKDATTHU-IBGZPJMESA-N 1 1 366.461 3.284 40 0 FGABMO CCn1cc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)c(C)n1 ZINC000012325247 494224592 /nfs/dbraw/zinc/22/45/92/494224592.db2.gz VUTKKGDZKVMGFB-ZLGUVYLKSA-N 1 1 357.473 3.470 40 0 FGABMO Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)c(C)c1 ZINC000019132400 494437132 /nfs/dbraw/zinc/43/71/32/494437132.db2.gz XOZNROPNZSVZIA-CTNGQTDRSA-N 1 1 358.526 3.451 40 0 FGABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3N3CCCCC3)C2)cc(=O)[nH]1 ZINC000019285273 494439095 /nfs/dbraw/zinc/43/90/95/494439095.db2.gz HIPMLQZNNPVJGQ-QGZVFWFLSA-N 1 1 352.482 3.058 40 0 FGABMO COc1cccc([C@@H]2C[N@@H+](Cc3ccccn3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 ZINC000019712846 494456381 /nfs/dbraw/zinc/45/63/81/494456381.db2.gz VNBZQKPCVWOCBD-VWPQPMDRSA-N 1 1 365.477 3.117 40 0 FGABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccccc3OC)n[nH]2)cc1OCC ZINC000095534570 494989898 /nfs/dbraw/zinc/98/98/98/494989898.db2.gz ZLBPODJJJVYEHS-SFHVURJKSA-N 1 1 368.437 3.326 40 0 FGABMO Cc1nc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)cs1 ZINC000096039986 494997103 /nfs/dbraw/zinc/99/71/03/494997103.db2.gz AAAFICBANUMLNC-RTBURBONSA-N 1 1 359.495 3.297 40 0 FGABMO Cc1nc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)cs1 ZINC000096039986 494997106 /nfs/dbraw/zinc/99/71/06/494997106.db2.gz AAAFICBANUMLNC-RTBURBONSA-N 1 1 359.495 3.297 40 0 FGABMO CN(Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048075 494998380 /nfs/dbraw/zinc/99/83/80/494998380.db2.gz ZSEFMFNQHRMMOY-IBGZPJMESA-N 1 1 357.523 3.399 40 0 FGABMO COC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000096044536 494998644 /nfs/dbraw/zinc/99/86/44/494998644.db2.gz YTDPVTNIOXZUJS-HXUWFJFHSA-N 1 1 355.482 3.056 40 0 FGABMO COC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000096044536 494998646 /nfs/dbraw/zinc/99/86/46/494998646.db2.gz YTDPVTNIOXZUJS-HXUWFJFHSA-N 1 1 355.482 3.056 40 0 FGABMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000153060439 496341009 /nfs/dbraw/zinc/34/10/09/496341009.db2.gz NUNBGFRQPOAKQD-QGZVFWFLSA-N 1 1 369.513 3.249 40 0 FGABMO COc1cccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC000264177537 496829434 /nfs/dbraw/zinc/82/94/34/496829434.db2.gz LDMVNYOQQVRSGL-UHFFFAOYSA-N 1 1 350.462 3.358 40 0 FGABMO 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/nfs/dbraw/zinc/07/66/10/494076610.db2.gz OXYHQGCXMAIKSN-HNNXBMFYSA-N 1 1 360.458 3.340 40 0 biogenic,in-vitro FGABMO COCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833033 494118388 /nfs/dbraw/zinc/11/83/88/494118388.db2.gz MKVRIJBDTOCZIN-AWEZNQCLSA-N 1 1 359.297 3.358 40 0 FGABMO COCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833033 494118392 /nfs/dbraw/zinc/11/83/92/494118392.db2.gz MKVRIJBDTOCZIN-AWEZNQCLSA-N 1 1 359.297 3.358 40 0 FGABMO CCn1cc(C[N@H+]2C[C@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c(C)n1 ZINC000072340442 494153749 /nfs/dbraw/zinc/15/37/49/494153749.db2.gz VUTKKGDZKVMGFB-HBGVWJBISA-N 1 1 357.473 3.470 40 0 FGABMO CC(=O)N1Cc2ccccc2O[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000012087204 494202210 /nfs/dbraw/zinc/20/22/10/494202210.db2.gz SDSVRXAXJVBQCC-QFIPXVFZSA-N 1 1 350.462 3.462 40 0 FGABMO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000044787020 494381018 /nfs/dbraw/zinc/38/10/18/494381018.db2.gz FJQURNWQYPFYQC-SFHVURJKSA-N 1 1 351.450 3.496 40 0 FGABMO Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCN(C(=O)C3CCCCC3)C2)[nH+]1 ZINC000019705394 494455397 /nfs/dbraw/zinc/45/53/97/494455397.db2.gz SXSJKDXSSGBFIT-LJQANCHMSA-N 1 1 370.541 3.038 40 0 FGABMO C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)n[nH]1 ZINC000019708922 494455951 /nfs/dbraw/zinc/45/59/51/494455951.db2.gz RIQUDFRTXWJVSS-GOSISDBHSA-N 1 1 355.417 3.069 40 0 FGABMO Cc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019741464 494459038 /nfs/dbraw/zinc/45/90/38/494459038.db2.gz BXZKJHXMLDTZKT-KRWDZBQOSA-N 1 1 356.514 3.454 40 0 FGABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218556521 497004057 /nfs/dbraw/zinc/00/40/57/497004057.db2.gz GHGMPYFXKUZKOP-OKZBNKHCSA-N 1 1 365.882 3.014 40 0 FGABMO COc1ccc(C(=O)N2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408613179 499592995 /nfs/dbraw/zinc/59/29/95/499592995.db2.gz XUZMREQUMNVBEO-FQEVSTJZSA-N 1 1 350.462 3.358 40 0 FGABMO Cc1nnsc1C(=O)N1CCC[C@@]12CCC[N@H+](CCC(C)C)CC2 ZINC000585100596 507567889 /nfs/dbraw/zinc/56/78/89/507567889.db2.gz PFPOOZXLSNAMQV-GOSISDBHSA-N 1 1 350.532 3.353 40 0 FGABMO O=C(c1cc(Cl)ccc1F)N1CCC[C@]2(CC[N@H+]2C[C@@H]2CCCO2)C1 ZINC000585101834 507569130 /nfs/dbraw/zinc/56/91/30/507569130.db2.gz IKFISZCAJDJKJL-KXBFYZLASA-N 1 1 366.864 3.339 40 0 FGABMO COc1ccccc1C[NH+]1CC2(C1)C[C@H](OCc1cccnc1)CS2 ZINC000585104938 507570988 /nfs/dbraw/zinc/57/09/88/507570988.db2.gz MNEXBYSPJXVGSI-SFHVURJKSA-N 1 1 356.491 3.367 40 0 FGABMO O=C(c1cnc2ccccn12)N1CC[C@@H]2[C@H](C[N@H+]2CC2CCCCC2)C1 ZINC000585107975 507574954 /nfs/dbraw/zinc/57/49/54/507574954.db2.gz OLDYLVINEUJGNT-ZWKOTPCHSA-N 1 1 352.482 3.061 40 0 FGABMO COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000585176332 507580683 /nfs/dbraw/zinc/58/06/83/507580683.db2.gz SWRNBIGYSXHFKU-YPAWHYETSA-N 1 1 364.489 3.150 40 0 FGABMO COc1ccc2c3c1O[C@]1(C)[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C)C2 ZINC000253504600 525618260 /nfs/dbraw/zinc/61/82/60/525618260.db2.gz HNGQYCCVBUYBHG-MUMDQCHOSA-N 1 1 367.489 3.326 40 0 biogenic,in-vitro FGABMO CCNc1nc(C)c(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@H+]3C)s1 ZINC000257314600 528440847 /nfs/dbraw/zinc/44/08/47/528440847.db2.gz UXRCXASIYPCDSF-KSSFIOAISA-N 1 1 350.532 3.362 40 0 FGABMO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2C[N@H+](C3CCCCC3)CCN21 ZINC000253407977 210214707 /nfs/dbraw/zinc/21/47/07/210214707.db2.gz WYWCMRHIHZKSEH-SFHVURJKSA-N 1 1 373.516 3.379 40 0 biogenic,in-vitro FGABMO CN(C)c1ncc(C[NH+]2CCC(C)(c3ncc(Cl)s3)CC2)cn1 ZINC000257266320 529807519 /nfs/dbraw/zinc/80/75/19/529807519.db2.gz MCMGXOUKAMZVNB-UHFFFAOYSA-N 1 1 351.907 3.206 40 0 FGABMO Cc1cccc(C[N@H+]2C[C@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 ZINC000306123398 210049515 /nfs/dbraw/zinc/04/95/15/210049515.db2.gz AMAWWDVYRWPEMD-VXKWHMMOSA-N 1 1 372.472 3.273 40 0 FGABMO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3scnc3C)C2)n1 ZINC000257225174 223028421 /nfs/dbraw/zinc/02/84/21/223028421.db2.gz FFDZLHPZWJBJCL-CQSZACIVSA-N 1 1 354.483 3.320 40 0 FGABMO CCOc1ccccc1C[N@H+]1CCC[C@H]1c1ccnc(CNC(C)=O)c1 ZINC000257235223 223032362 /nfs/dbraw/zinc/03/23/62/223032362.db2.gz GWYHJJVSUAAIRU-FQEVSTJZSA-N 1 1 353.466 3.454 40 0 FGABMO C[C@]12CC[N@@H+](Cc3ccncc3)[C@H]1CCC(=O)N2Cc1ccccc1F ZINC000257268340 223044321 /nfs/dbraw/zinc/04/43/21/223044321.db2.gz MLGLOIMQKFWHMP-FPOVZHCZSA-N 1 1 353.441 3.376 40 0 FGABMO Cc1cccc(Nc2cnc([C@@H]3CCC[N@H+](Cc4cncn4C)C3)cn2)n1 ZINC000257299945 223056620 /nfs/dbraw/zinc/05/66/20/223056620.db2.gz RSGWZDGKYMITGX-MRXNPFEDSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1cc2ncc(C[NH+](C)C)c([C@H]3CCCN3C(=O)CC3CCCC3)n2n1 ZINC000019743504 211253084 /nfs/dbraw/zinc/25/30/84/211253084.db2.gz XCJFBMNSGXHSSM-GOSISDBHSA-N 1 1 369.513 3.343 40 0 FGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@@H]1CCCCO1 ZINC000019589064 211239127 /nfs/dbraw/zinc/23/91/27/211239127.db2.gz CTXYVHOQOIYLEN-WOZUAGRISA-N 1 1 356.510 3.425 40 0 FGABMO COc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)cn1 ZINC000019665107 211245300 /nfs/dbraw/zinc/24/53/00/211245300.db2.gz NDCXRUPAYGIJDT-GOSISDBHSA-N 1 1 357.429 3.186 40 0 FGABMO C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@H+]3C[C@@H]3CCOC3)cc2N1 ZINC000019574849 211236179 /nfs/dbraw/zinc/23/61/79/211236179.db2.gz QSXDIHZYCFTLOZ-AYRXBEOTSA-N 1 1 358.408 3.364 40 0 FGABMO COc1cccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CC[N@@H+](CC4CC4)C[C@@H]32)c1 ZINC000019566319 211236000 /nfs/dbraw/zinc/23/60/00/211236000.db2.gz RBMMSIMELQCDTM-NJDAHSKKSA-N 1 1 354.494 3.132 40 0 FGABMO CC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)no2)CC1 ZINC000019496763 211226460 /nfs/dbraw/zinc/22/64/60/211226460.db2.gz XTXCKSZTSKCFSM-KRWDZBQOSA-N 1 1 368.481 3.321 40 0 FGABMO Cc1cnc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc5ccccc5n4)C3)o2)cn1 ZINC000019239182 211208798 /nfs/dbraw/zinc/20/87/98/211208798.db2.gz KBOPSMACBGIKGP-INIZCTEOSA-N 1 1 372.432 3.373 40 0 FGABMO O=c1cc([C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)nc(-c2ccncc2)[nH]1 ZINC000019292693 211214021 /nfs/dbraw/zinc/21/40/21/211214021.db2.gz PWBMGKUSZRZHMK-AWEZNQCLSA-N 1 1 368.387 3.100 40 0 FGABMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@]23CCCC(=O)N3)n1 ZINC000019236366 211208679 /nfs/dbraw/zinc/20/86/79/211208679.db2.gz GXNDFEZQPWUKJC-HRAATJIYSA-N 1 1 371.431 3.307 40 0 FGABMO CC[C@@H](C)Nc1cc(N2CCc3cc(C(=O)OC)ccc3C2)[nH+]c(C)n1 ZINC000328960976 132371748 /nfs/dbraw/zinc/37/17/48/132371748.db2.gz AZVPCWNHWDWIRF-CYBMUJFWSA-N 1 1 354.454 3.345 40 0 FGABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)s1 ZINC000096050948 222001067 /nfs/dbraw/zinc/00/10/67/222001067.db2.gz CYBHWRGPGAVTDQ-IBGZPJMESA-N 1 1 359.495 3.286 40 0 FGABMO COc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2=O)c1 ZINC000096050654 222001898 /nfs/dbraw/zinc/00/18/98/222001898.db2.gz DBEYJXIPLDRXGN-HXUWFJFHSA-N 1 1 356.491 3.381 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)cc1 ZINC000096050627 222001952 /nfs/dbraw/zinc/00/19/52/222001952.db2.gz XECIQHSCFKBUGL-QFIPXVFZSA-N 1 1 368.452 3.459 40 0 FGABMO Cc1noc(C)c1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096065077 222011249 /nfs/dbraw/zinc/01/12/49/222011249.db2.gz UYFFQAXTGXRTJR-VQTJNVASSA-N 1 1 357.454 3.137 40 0 FGABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261633 222104166 /nfs/dbraw/zinc/10/41/66/222104166.db2.gz CBZRQLNLGBOSQF-XQBPLPMBSA-N 1 1 351.494 3.328 40 0 FGABMO O=C(C[C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2O1)NCc1cccs1 ZINC000096206657 222076849 /nfs/dbraw/zinc/07/68/49/222076849.db2.gz DHVNIBZXWSQYEN-JENIJYKNSA-N 1 1 356.491 3.044 40 0 FGABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](N(C)Cc4ccccn4)CO3)C2)s1 ZINC000107226804 222392877 /nfs/dbraw/zinc/39/28/77/222392877.db2.gz VPRXMYIKZUOSJM-UYAOXDASSA-N 1 1 357.523 3.317 40 0 FGABMO COc1cccc(C[N@@H+]2CCN(C(=O)NCc3ccccc3)[C@@H](C)C2)c1 ZINC000019575610 263374844 /nfs/dbraw/zinc/37/48/44/263374844.db2.gz IDPWANVSTKTQRA-KRWDZBQOSA-N 1 1 353.466 3.111 40 0 FGABMO COc1cccc(C[N@H+]2CCN(C(=O)NCc3ccccc3)[C@@H](C)C2)c1 ZINC000019575610 263374846 /nfs/dbraw/zinc/37/48/46/263374846.db2.gz IDPWANVSTKTQRA-KRWDZBQOSA-N 1 1 353.466 3.111 40 0 FGABMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Br)cc1 ZINC000005633832 493938370 /nfs/dbraw/zinc/93/83/70/493938370.db2.gz BSMSXZZANUSLQQ-ZBFHGGJFSA-N 1 1 351.288 3.443 40 0 FGABMO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2CC(C)(C)C)n1 ZINC000035424903 494076462 /nfs/dbraw/zinc/07/64/62/494076462.db2.gz DINDGXRBPOCIQG-HNNXBMFYSA-N 1 1 359.474 3.373 40 0 biogenic,in-vitro FGABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227717 494145318 /nfs/dbraw/zinc/14/53/18/494145318.db2.gz CJXFASBDFFJDJM-CVEARBPZSA-N 1 1 365.216 3.180 40 0 FGABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4cccc(F)c4F)C3)cc(N)n2n1 ZINC000072339799 494153723 /nfs/dbraw/zinc/15/37/23/494153723.db2.gz XOQHVDIJJNXRMI-ZDUSSCGKSA-N 1 1 357.408 3.278 40 0 FGABMO COc1ccccc1-c1cccc([C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC000072349509 494155831 /nfs/dbraw/zinc/15/58/31/494155831.db2.gz QAFAZOLZVVOFPV-INIZCTEOSA-N 1 1 353.466 3.025 40 0 FGABMO Cc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072378390 494161018 /nfs/dbraw/zinc/16/10/18/494161018.db2.gz ZZPKCFLAFMRHOA-QGZVFWFLSA-N 1 1 351.385 3.087 40 0 FGABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccc(F)cc2)n1 ZINC000012185907 494211431 /nfs/dbraw/zinc/21/14/31/494211431.db2.gz OCQCFORUJFREMJ-LJQANCHMSA-N 1 1 357.429 3.295 40 0 FGABMO CC(C)Oc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1 ZINC000012220279 494214891 /nfs/dbraw/zinc/21/48/91/494214891.db2.gz JXZOINWIAKWYLU-QIDMFYOTSA-N 1 1 369.509 3.327 40 0 FGABMO OC[C@H]1CCC[N@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 ZINC000012365432 494227569 /nfs/dbraw/zinc/22/75/69/494227569.db2.gz AVINJSKQOXEQHD-HNNXBMFYSA-N 1 1 372.469 3.047 40 0 FGABMO OC[C@H]1CCC[N@@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 ZINC000012365432 494227570 /nfs/dbraw/zinc/22/75/70/494227570.db2.gz AVINJSKQOXEQHD-HNNXBMFYSA-N 1 1 372.469 3.047 40 0 FGABMO C[NH+]1CCN(c2nc3c(c(-c4ccccc4)n2)C(=O)c2ccccc2-3)CC1 ZINC000017073615 494406739 /nfs/dbraw/zinc/40/67/39/494406739.db2.gz NRBYTIUGOUTDFE-UHFFFAOYSA-N 1 1 356.429 3.107 40 0 FGABMO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)C[N@H+]2Cc1cccnc1 ZINC000019712636 494456260 /nfs/dbraw/zinc/45/62/60/494456260.db2.gz CZDIYMRBMQARTI-ZVDOUQERSA-N 1 1 353.441 3.248 40 0 FGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc2ccccc2o1 ZINC000047276408 494669969 /nfs/dbraw/zinc/66/99/69/494669969.db2.gz PFFUZEDKWUAWBV-UHFFFAOYSA-N 1 1 350.418 3.195 40 0 FGABMO O=C(Cc1ccccc1Cl)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276294 494670467 /nfs/dbraw/zinc/67/04/67/494670467.db2.gz BRTIUBAUPWJLNP-UHFFFAOYSA-N 1 1 358.869 3.031 40 0 FGABMO Cc1cccnc1C[N@H+]1CCC[C@]2(CCN(CC3CCOCC3)C2=O)CC1 ZINC000108532462 494731828 /nfs/dbraw/zinc/73/18/28/494731828.db2.gz IBGXLTRSYHPCSZ-JOCHJYFZSA-N 1 1 371.525 3.021 40 0 FGABMO COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(=O)oc2cc(C)ccc12 ZINC000109029810 494823858 /nfs/dbraw/zinc/82/38/58/494823858.db2.gz UUXSIKWCRYNBIS-JCGIZDLHSA-N 1 1 355.434 3.408 40 0 FGABMO COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(=O)oc2cc(C)ccc12 ZINC000109029810 494823861 /nfs/dbraw/zinc/82/38/61/494823861.db2.gz UUXSIKWCRYNBIS-JCGIZDLHSA-N 1 1 355.434 3.408 40 0 FGABMO COc1cccc(NCCc2nnc([C@@H]([NH3+])c3ccc(Cl)cc3)[nH]2)c1 ZINC000095533981 494989092 /nfs/dbraw/zinc/98/90/92/494989092.db2.gz KNXCACUMLPCJNQ-KRWDZBQOSA-N 1 1 357.845 3.169 40 0 FGABMO Cc1nc(-c2noc3ccc(C(=O)N4CC[NH+](C(C)C)CC4)cc32)cs1 ZINC000096037872 494997309 /nfs/dbraw/zinc/99/73/09/494997309.db2.gz WLRPVKPXSGRBBK-UHFFFAOYSA-N 1 1 370.478 3.426 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)cc1 ZINC000096100386 495001106 /nfs/dbraw/zinc/00/11/06/495001106.db2.gz VQJUEBUEHMVUOB-GOTSBHOMSA-N 1 1 364.489 3.460 40 0 FGABMO Cc1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)no1 ZINC000247934124 496928868 /nfs/dbraw/zinc/92/88/68/496928868.db2.gz ROECVJXKQDBTJM-IBGZPJMESA-N 1 1 371.481 3.356 40 0 FGABMO Cc1ccccc1C(=O)N1CCC2(C[N@@H+](C)C[C@@H]2COCC2CC2)CC1 ZINC000248081854 496952294 /nfs/dbraw/zinc/95/22/94/496952294.db2.gz QGFUIKNQZWBDPX-LJQANCHMSA-N 1 1 356.510 3.206 40 0 FGABMO Cc1nc2ccccc2n1[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248082614 496953421 /nfs/dbraw/zinc/95/34/21/496953421.db2.gz AQLZRZVJOJXQQV-IERDGZPVSA-N 1 1 362.477 3.421 40 0 FGABMO C[N@H+](Cc1ccco1)C[C@H]1CCC2(CN(C(=O)c3ccccc3F)C2)OC1 ZINC000248110119 496955087 /nfs/dbraw/zinc/95/50/87/496955087.db2.gz KAQUESWBTISWSB-MRXNPFEDSA-N 1 1 372.440 3.172 40 0 FGABMO C[C@@H](c1ccccc1)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccccc1)C2 ZINC000585105033 507570341 /nfs/dbraw/zinc/57/03/41/507570341.db2.gz YWLPSBFEKCPUKP-WMZHIEFXSA-N 1 1 364.489 3.499 40 0 FGABMO O[C@H]1C[N@@H+](Cc2ccc(OCCF)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000585268704 507582207 /nfs/dbraw/zinc/58/22/07/507582207.db2.gz HWZFLEICTXSOFB-OALUTQOASA-N 1 1 365.832 3.312 40 0 FGABMO CC[C@H](Oc1cccc(C)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020110380 522878710 /nfs/dbraw/zinc/87/87/10/522878710.db2.gz GFHGZQVGDQJKHU-NRFANRHFSA-N 1 1 352.478 3.497 40 0 FGABMO C[C@@]1(O)CC[N@@H+](Cc2cccs2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289963 560030986 /nfs/dbraw/zinc/03/09/86/560030986.db2.gz QTELTSFVFKSHAT-IRFCIJBXSA-N 1 1 370.518 3.341 40 0 biogenic,in-vitro FGABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1ccc(C)c(C)c1 ZINC000224293712 570983877 /nfs/dbraw/zinc/98/38/77/570983877.db2.gz TWZKNIVMVIZIMS-UHFFFAOYSA-N 1 1 368.477 3.279 40 0 FGABMO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](CC2CCCCC2)C1)C1CC1 ZINC000004236215 291073490 /nfs/dbraw/zinc/07/34/90/291073490.db2.gz MBSATXZCKZVAEF-FUHWJXTLSA-N 1 1 369.509 3.196 40 0 biogenic,in-vitro FGABMO Cc1cccnc1Nc1nccnc1C1CC[NH+](Cc2cn(C)cn2)CC1 ZINC000257217134 223023745 /nfs/dbraw/zinc/02/37/45/223023745.db2.gz CXPFSRXBDAAIKK-UHFFFAOYSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1cccnc1C[N@@H+]1CCC[C@@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000257228570 223029869 /nfs/dbraw/zinc/02/98/69/223029869.db2.gz FUIPYLMFBNCMRU-LJQANCHMSA-N 1 1 374.448 3.164 40 0 FGABMO Cc1cccnc1C[N@H+]1CCC[C@@H]1c1cccc(C(=O)Nc2cnccn2)n1 ZINC000257228570 223029871 /nfs/dbraw/zinc/02/98/71/223029871.db2.gz FUIPYLMFBNCMRU-LJQANCHMSA-N 1 1 374.448 3.164 40 0 FGABMO C[NH+](C)Cc1cn(-c2ccccc2C(=O)NCc2ccccc2F)cn1 ZINC000257250666 223037926 /nfs/dbraw/zinc/03/79/26/223037926.db2.gz JNMDNSJUGSPIRR-UHFFFAOYSA-N 1 1 352.413 3.003 40 0 FGABMO Cc1ncsc1C[N@H+]1CCC[C@H](c2nccnc2Nc2cnccn2)C1 ZINC000257264337 223042980 /nfs/dbraw/zinc/04/29/80/223042980.db2.gz LTYMRAKRTDQTKY-AWEZNQCLSA-N 1 1 367.482 3.155 40 0 FGABMO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@H+]2CC2CCOCC2)n1 ZINC000257309513 223060467 /nfs/dbraw/zinc/06/04/67/223060467.db2.gz UBFKMHOVHKGEPN-QGZVFWFLSA-N 1 1 368.485 3.191 40 0 FGABMO Cc1csc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3c[nH]nc3C)C2)n1 ZINC000257340709 223071590 /nfs/dbraw/zinc/07/15/90/223071590.db2.gz ZHGLMQUCZYKOBS-AWEZNQCLSA-N 1 1 369.498 3.396 40 0 FGABMO Cc1ccc(C)c(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000013710472 220088566 /nfs/dbraw/zinc/08/85/66/220088566.db2.gz CMIUREIDYGBDJO-IBGZPJMESA-N 1 1 352.478 3.415 40 0 FGABMO COc1c(C)cccc1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019235939 220243365 /nfs/dbraw/zinc/24/33/65/220243365.db2.gz LHZBUYCBYWUYNP-JOCHJYFZSA-N 1 1 350.462 3.324 40 0 FGABMO [NH3+]CCn1nc([C@H]2CCN(Cc3ccc(Cl)c(F)c3)C2)c2cccnc21 ZINC000019346714 220251974 /nfs/dbraw/zinc/25/19/74/220251974.db2.gz LDJBEHICXNCXGQ-AWEZNQCLSA-N 1 1 373.863 3.172 40 0 FGABMO COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000019454374 220258555 /nfs/dbraw/zinc/25/85/55/220258555.db2.gz XZYZNLYPHYQFBW-QGZVFWFLSA-N 1 1 357.454 3.387 40 0 FGABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)N4CCCC4)on3)C2)c1 ZINC000019565120 220272998 /nfs/dbraw/zinc/27/29/98/220272998.db2.gz KHWKIJGJWWXLNX-QGZVFWFLSA-N 1 1 369.465 3.299 40 0 FGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)Cc1cccnc1 ZINC000019589094 220277766 /nfs/dbraw/zinc/27/77/66/220277766.db2.gz GXVOASMTKJPMQP-XJUOHMSHSA-N 1 1 363.505 3.493 40 0 FGABMO CC1(C)Cc2cc(C[N@H+]3CC[C@H](C(=O)Nc4ccccn4)C3)ccc2O1 ZINC000019747788 220293318 /nfs/dbraw/zinc/29/33/18/220293318.db2.gz XSSCQCHYQMFWOW-INIZCTEOSA-N 1 1 351.450 3.256 40 0 FGABMO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccco4)C2)OC3)c1 ZINC000306137151 533370753 /nfs/dbraw/zinc/37/07/53/533370753.db2.gz QMUNTTMMKSXYRF-NRFANRHFSA-N 1 1 365.433 3.327 40 0 FGABMO COc1cc(N2CCC[C@@]3(CC[N@@H+](Cc4ccc(C)cc4)C3)C2)ncn1 ZINC000096216521 132222520 /nfs/dbraw/zinc/22/25/20/132222520.db2.gz HKQCIBMKVDFHQQ-NRFANRHFSA-N 1 1 352.482 3.286 40 0 FGABMO Cc1nc(COC[C@H]2C[C@H]3OCCN(c4cccc(C)[nH+]4)[C@H]3C2)cs1 ZINC000248048157 132292190 /nfs/dbraw/zinc/29/21/90/132292190.db2.gz RKMNATBJKCRMJE-BPQIPLTHSA-N 1 1 359.495 3.356 40 0 FGABMO Cc1ccc(C[N@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1C ZINC000019214023 136152183 /nfs/dbraw/zinc/15/21/83/136152183.db2.gz GUZBOYYRNDXMHA-UHFFFAOYSA-N 1 1 366.509 3.181 40 0 FGABMO Cc1ccc(C[N@@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1C ZINC000019214023 136152184 /nfs/dbraw/zinc/15/21/84/136152184.db2.gz GUZBOYYRNDXMHA-UHFFFAOYSA-N 1 1 366.509 3.181 40 0 FGABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)Cc1cccs1)CC2 ZINC000096078394 222014469 /nfs/dbraw/zinc/01/44/69/222014469.db2.gz MXGYOHQEMVTAGY-MRXNPFEDSA-N 1 1 350.528 3.029 40 0 FGABMO FC1(F)CCN(Cc2ccncc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000096239800 222094931 /nfs/dbraw/zinc/09/49/31/222094931.db2.gz UIVNGWMALJSRNJ-IBGZPJMESA-N 1 1 358.436 3.210 40 0 FGABMO Fc1cccnc1N1CC[C@@]2(C1)C[N@@H+](Cc1ccncc1)CCC2(F)F ZINC000096239648 222096208 /nfs/dbraw/zinc/09/62/08/222096208.db2.gz OJAOQTPDXIRCTQ-SFHVURJKSA-N 1 1 362.399 3.353 40 0 FGABMO Cc1nc(C[N@H+]2CCC3(C2)CCN(C(=O)c2ccoc2C)CC3)cs1 ZINC000096157434 222057973 /nfs/dbraw/zinc/05/79/73/222057973.db2.gz QBWXGXNFQKYVLZ-UHFFFAOYSA-N 1 1 359.495 3.481 40 0 FGABMO Fc1cccc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)c1 ZINC000096208477 222078658 /nfs/dbraw/zinc/07/86/58/222078658.db2.gz FYEWOASVRHCTCE-QUCCMNQESA-N 1 1 356.445 3.099 40 0 FGABMO COc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)c1 ZINC000096215443 222079975 /nfs/dbraw/zinc/07/99/75/222079975.db2.gz BVVBCEPJWIJCKD-QFIPXVFZSA-N 1 1 372.509 3.050 40 0 FGABMO c1ccc(CC[N@H+]2CCC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)cc1 ZINC000096209869 222079993 /nfs/dbraw/zinc/07/99/93/222079993.db2.gz BOFAYRLAMOZWJY-VXKWHMMOSA-N 1 1 352.478 3.464 40 0 FGABMO c1cc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc2c1OCO2 ZINC000096215382 222080082 /nfs/dbraw/zinc/08/00/82/222080082.db2.gz NQYICAJOUNIOJP-QFIPXVFZSA-N 1 1 372.509 3.130 40 0 FGABMO O=C(C[C@H]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2O1)NCc1cccs1 ZINC000096216873 222081295 /nfs/dbraw/zinc/08/12/95/222081295.db2.gz DHVNIBZXWSQYEN-YQVWRLOYSA-N 1 1 356.491 3.044 40 0 FGABMO COc1ncccc1C[N@H+]1CC[C@@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215731 222081493 /nfs/dbraw/zinc/08/14/93/222081493.db2.gz DIQHBGJIMFQGJG-IBGZPJMESA-N 1 1 358.511 3.035 40 0 FGABMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)N4CCCC4)C3)C2)c1 ZINC000096215690 222082605 /nfs/dbraw/zinc/08/26/05/222082605.db2.gz SXZCZHWMJWKEMZ-NRFANRHFSA-N 1 1 357.498 3.199 40 0 FGABMO CC(C)[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228737 222089433 /nfs/dbraw/zinc/08/94/33/222089433.db2.gz VVHIYJKMENPWBG-NRFANRHFSA-N 1 1 355.482 3.131 40 0 FGABMO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228790 222090012 /nfs/dbraw/zinc/09/00/12/222090012.db2.gz LGSLXNBGEBFELV-QFIPXVFZSA-N 1 1 367.493 3.133 40 0 FGABMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(Br)c1 ZINC000004482465 493878215 /nfs/dbraw/zinc/87/82/15/493878215.db2.gz KBULQBFCVZUFBT-HOCLYGCPSA-N 1 1 351.288 3.443 40 0 FGABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCOCC1 ZINC000038832732 494118517 /nfs/dbraw/zinc/11/85/17/494118517.db2.gz ORAKMRBXTUXVSD-CQSZACIVSA-N 1 1 357.281 3.064 40 0 FGABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c[nH+]c(N(C)C)cc2C)cc1 ZINC000072218689 494145771 /nfs/dbraw/zinc/14/57/71/494145771.db2.gz JUNCDXRWROVNEJ-GOSISDBHSA-N 1 1 359.495 3.290 40 0 FGABMO COC(=O)[C@@]1(Cc2ccccc2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072341110 494154611 /nfs/dbraw/zinc/15/46/11/494154611.db2.gz LVJACXWVFKPSDY-ZRCGQRJVSA-N 1 1 363.457 3.395 40 0 FGABMO CN(CCO)C(=O)c1cc([C@H]2CC[N@H+](C3CCCC3)C2)nc2ccccc21 ZINC000072352657 494155609 /nfs/dbraw/zinc/15/56/09/494155609.db2.gz FSFHYOOISHEYOS-INIZCTEOSA-N 1 1 367.493 3.031 40 0 FGABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072349529 494155820 /nfs/dbraw/zinc/15/58/20/494155820.db2.gz NGNFHDIKDRSYPL-QGZVFWFLSA-N 1 1 355.457 3.079 40 0 FGABMO Cc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378477 494160927 /nfs/dbraw/zinc/16/09/27/494160927.db2.gz GSYPXTOVANYNHG-GOSISDBHSA-N 1 1 365.412 3.016 40 0 FGABMO CC(C)[N@H+]1CC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NCCO)C1 ZINC000072391132 494162031 /nfs/dbraw/zinc/16/20/31/494162031.db2.gz TZYSGWFJGPRMRT-QHCPKHFHSA-N 1 1 366.505 3.105 40 0 FGABMO O=c1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392896 494162292 /nfs/dbraw/zinc/16/22/92/494162292.db2.gz FTHYFVVABNRIAZ-KRWDZBQOSA-N 1 1 364.424 3.351 40 0 FGABMO O=c1cc([C@H]2CCC[N@@H+](Cc3ccsc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393085 494163029 /nfs/dbraw/zinc/16/30/29/494163029.db2.gz IOLBLEZOBLKVAP-INIZCTEOSA-N 1 1 352.463 3.273 40 0 FGABMO CCc1n[nH]c(C(=O)NC2CC[NH+](CC3(c4ccccc4)CC3)CC2)c1C ZINC000012087753 494202388 /nfs/dbraw/zinc/20/23/88/494202388.db2.gz UVCIVBZGZSZVNH-UHFFFAOYSA-N 1 1 366.509 3.207 40 0 FGABMO O=C1NC[C@@]2(CCC[N@@H+](Cc3ccccc3Cl)C2)Oc2ccccc21 ZINC000012086793 494202733 /nfs/dbraw/zinc/20/27/33/494202733.db2.gz UWJBBISWKGWJKY-HXUWFJFHSA-N 1 1 356.853 3.497 40 0 FGABMO O=C1NC[C@@]2(CCC[N@H+](Cc3ccccc3Cl)C2)Oc2ccccc21 ZINC000012086793 494202737 /nfs/dbraw/zinc/20/27/37/494202737.db2.gz UWJBBISWKGWJKY-HXUWFJFHSA-N 1 1 356.853 3.497 40 0 FGABMO CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCC[N@@H+](Cc3ccncc3)C2)C1 ZINC000012135404 494207333 /nfs/dbraw/zinc/20/73/33/494207333.db2.gz XITMNRCWFXXLED-UGKGYDQZSA-N 1 1 365.477 3.103 40 0 FGABMO CC[N@H+]1CC[C@H](CCc2ccc(NC(=O)[C@H]3CC(=O)N(C)C3)cc2)[C@@H](C)C1 ZINC000012144921 494208478 /nfs/dbraw/zinc/20/84/78/494208478.db2.gz CXLXDKSFGIPBPR-WDSOQIARSA-N 1 1 371.525 3.014 40 0 FGABMO COc1cc2c(cc1C[NH+]1CCC(O)(c3ccccc3F)CC1)OCO2 ZINC000012240439 494216718 /nfs/dbraw/zinc/21/67/18/494216718.db2.gz CXUGKWDCHWXTML-UHFFFAOYSA-N 1 1 359.397 3.047 40 0 FGABMO OC1(c2ccc(F)cc2)CC[NH+](Cc2cnc(N3CCCCC3)nc2)CC1 ZINC000012240653 494216932 /nfs/dbraw/zinc/21/69/32/494216932.db2.gz AVBAMPYYYLOOHJ-UHFFFAOYSA-N 1 1 370.472 3.090 40 0 FGABMO C[C@H]1Cc2cc([C@@H](O)C[NH+]3CCN(c4ccccc4F)CC3)ccc2O1 ZINC000019498044 494446039 /nfs/dbraw/zinc/44/60/39/494446039.db2.gz NMLAPUOQBBSPBQ-YWZLYKJASA-N 1 1 356.441 3.005 40 0 FGABMO COc1cc(C[N@H+]2CCCC[C@@H]3[C@H]2CCN3C(C)=O)ccc1OC(C)C ZINC000019712539 494456113 /nfs/dbraw/zinc/45/61/13/494456113.db2.gz DOOKVBDFWPVMMN-RTBURBONSA-N 1 1 360.498 3.458 40 0 FGABMO Cn1nc(C2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1C[NH+](C)C ZINC000019710210 494456130 /nfs/dbraw/zinc/45/61/30/494456130.db2.gz XYPIDYTUDICEII-UHFFFAOYSA-N 1 1 366.465 3.248 40 0 FGABMO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@H+]2Cc1ccc(-n2cccn2)cc1 ZINC000019712318 494456491 /nfs/dbraw/zinc/45/64/91/494456491.db2.gz VIBZAVCNXWZFMU-LEWJYISDSA-N 1 1 352.482 3.238 40 0 FGABMO C[C@H]1CCCN(c2ncc(-c3cncn3CC[N@@H+](C)C3CCCC3)cn2)C1 ZINC000019720001 494458860 /nfs/dbraw/zinc/45/88/60/494458860.db2.gz PQJHQMNFYKOLDI-KRWDZBQOSA-N 1 1 368.529 3.451 40 0 FGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)CCCC2 ZINC000108028340 494638133 /nfs/dbraw/zinc/63/81/33/494638133.db2.gz MYBORYKYEBWOMI-UHFFFAOYSA-N 1 1 364.489 3.328 40 0 FGABMO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC000096048025 494998398 /nfs/dbraw/zinc/99/83/98/494998398.db2.gz QRBZBOFBXXIJTA-INIZCTEOSA-N 1 1 360.479 3.237 40 0 FGABMO Cc1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2ccccn2)no1 ZINC000247946239 496931537 /nfs/dbraw/zinc/93/15/37/496931537.db2.gz WMOJNMFYQYKOIY-SFHVURJKSA-N 1 1 371.481 3.356 40 0 FGABMO CCOC[C@@]1([NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218556363 497003883 /nfs/dbraw/zinc/00/38/83/497003883.db2.gz GHGMPYFXKUZKOP-FGTMMUONSA-N 1 1 365.882 3.014 40 0 FGABMO Cc1ccsc1C[N@H+]1Cc2ccnn2C[C@@H](OCc2ccncc2)C1 ZINC000253599900 497344486 /nfs/dbraw/zinc/34/44/86/497344486.db2.gz WRQDZJZHUNOADA-SFHVURJKSA-N 1 1 354.479 3.249 40 0 FGABMO Cc1ccsc1C[N@@H+]1Cc2ccnn2C[C@@H](OCc2ccncc2)C1 ZINC000253599900 497344490 /nfs/dbraw/zinc/34/44/90/497344490.db2.gz WRQDZJZHUNOADA-SFHVURJKSA-N 1 1 354.479 3.249 40 0 FGABMO O=C(C[C@@H]1Cn2cccc2C[N@@H+](Cc2ccsc2)C1)NCc1ccco1 ZINC000585099115 507566774 /nfs/dbraw/zinc/56/67/74/507566774.db2.gz MUFSOJCIJQEVBG-KRWDZBQOSA-N 1 1 369.490 3.481 40 0 FGABMO C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)c2ccccc2)CC3)C1 ZINC000585104199 507570363 /nfs/dbraw/zinc/57/03/63/507570363.db2.gz MONDMLSWEQFHRZ-ICSRJNTNSA-N 1 1 356.510 3.430 40 0 FGABMO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21)c1ccncc1 ZINC000585109806 507574862 /nfs/dbraw/zinc/57/48/62/507574862.db2.gz VYULYCVUFJPHNF-FDFHNCONSA-N 1 1 370.456 3.177 40 0 FGABMO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccncc4)C2)OC3)cc1 ZINC000306130664 534454030 /nfs/dbraw/zinc/45/40/30/534454030.db2.gz JMLPMSOPVSEZTK-OAQYLSRUSA-N 1 1 364.424 3.259 40 0 FGABMO NC(=O)c1ccc(-c2cccc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000257328426 534473834 /nfs/dbraw/zinc/47/38/34/534473834.db2.gz XFPFIPOWSKTKKG-QFIPXVFZSA-N 1 1 373.456 3.421 40 0 FGABMO NC(=O)c1ccc(-c2cccc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000257328426 534473836 /nfs/dbraw/zinc/47/38/36/534473836.db2.gz XFPFIPOWSKTKKG-QFIPXVFZSA-N 1 1 373.456 3.421 40 0 FGABMO CCC[C@@H](c1nnnn1C(C)(C)CC)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020139872 520811827 /nfs/dbraw/zinc/81/18/27/520811827.db2.gz UAKZPASALQBKIZ-IBGZPJMESA-N 1 1 370.545 3.477 40 0 FGABMO CC[C@H](Oc1cccc(OC)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020108753 522885721 /nfs/dbraw/zinc/88/57/21/522885721.db2.gz FJXAGZASIKTELL-NRFANRHFSA-N 1 1 368.477 3.197 40 0 FGABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]1c1ccnc(N(C)C)c1 ZINC000257331563 528368300 /nfs/dbraw/zinc/36/83/00/528368300.db2.gz XTJJOPKYVSKBHL-KRWDZBQOSA-N 1 1 355.486 3.221 40 0 FGABMO CCC[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000514289676 560032071 /nfs/dbraw/zinc/03/20/71/560032071.db2.gz BDVGHNIMJWKMPW-CMKODMSKSA-N 1 1 358.507 3.455 40 0 biogenic,in-vitro FGABMO COc1cccc(OC)c1/C=C/C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409249423 570745879 /nfs/dbraw/zinc/74/58/79/570745879.db2.gz IYODRXNXQBILSC-VAWYXSNFSA-N 1 1 366.461 3.061 40 0 FGABMO C[N@H+]1CCN(Cc2cscn2)C[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257271836 529775362 /nfs/dbraw/zinc/77/53/62/529775362.db2.gz MZYYADBHVXNTRD-QGZVFWFLSA-N 1 1 352.507 3.298 40 0 FGABMO C[N@H+]1CCN(C(=O)CC2CCCC2)C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257273208 530066768 /nfs/dbraw/zinc/06/67/68/530066768.db2.gz NFRVJIGDNMBSDS-GOSISDBHSA-N 1 1 366.509 3.143 40 0 FGABMO Cn1nccc1C[N@H+]1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257200700 223016600 /nfs/dbraw/zinc/01/66/00/223016600.db2.gz AENKXWANGKQXMW-LFGUQSLTSA-N 1 1 353.466 3.312 40 0 FGABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257243355 223034597 /nfs/dbraw/zinc/03/45/97/223034597.db2.gz IGOVFQHSOKJXRL-SFHVURJKSA-N 1 1 363.469 3.303 40 0 FGABMO Cn1cc2c(n1)[C@]1(CC[N@@H+](Cc3ccccc3)C1)CN(Cc1ccoc1)C2 ZINC000306125332 223107024 /nfs/dbraw/zinc/10/70/24/223107024.db2.gz CMROMPQVBBXNJS-QFIPXVFZSA-N 1 1 362.477 3.173 40 0 FGABMO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)n2)cc1 ZINC000015674675 220159683 /nfs/dbraw/zinc/15/96/83/220159683.db2.gz PQLHAMBRXRZYQJ-AEFFLSMTSA-N 1 1 351.406 3.053 40 0 biogenic,in-vitro FGABMO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)n2)cc1 ZINC000015674675 220159685 /nfs/dbraw/zinc/15/96/85/220159685.db2.gz PQLHAMBRXRZYQJ-AEFFLSMTSA-N 1 1 351.406 3.053 40 0 biogenic,in-vitro FGABMO Cc1ccc(SCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000018217123 220229503 /nfs/dbraw/zinc/22/95/03/220229503.db2.gz LQWOUNOOYKRLSV-UHFFFAOYSA-N 1 1 370.518 3.236 40 0 FGABMO Cc1[nH+]ccn1CCCC(=O)NCC1(c2ccc(C)cc2)CCOCC1 ZINC000019208661 220239295 /nfs/dbraw/zinc/23/92/95/220239295.db2.gz IOKMOGYXUFERIS-UHFFFAOYSA-N 1 1 355.482 3.145 40 0 FGABMO O=C(NC1CC1)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019292912 220247339 /nfs/dbraw/zinc/24/73/39/220247339.db2.gz GZIMQZMYMWBDNY-CYBMUJFWSA-N 1 1 361.392 3.225 40 0 FGABMO O=C(NC1CC1)c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019292912 220247342 /nfs/dbraw/zinc/24/73/42/220247342.db2.gz GZIMQZMYMWBDNY-CYBMUJFWSA-N 1 1 361.392 3.225 40 0 FGABMO COc1ccc2[nH]c(C[NH+]3CCC(N4C[C@@H](C)O[C@H](C)C4)CC3)cc2c1 ZINC000019497378 220263600 /nfs/dbraw/zinc/26/36/00/220263600.db2.gz QXJUVXWLNPJYJH-HZPDHXFCSA-N 1 1 357.498 3.250 40 0 FGABMO CCn1nc(C)c(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1C ZINC000019523823 220265613 /nfs/dbraw/zinc/26/56/13/220265613.db2.gz ZEOUTHNAPLYMQO-OXJNMPFZSA-N 1 1 366.513 3.172 40 0 FGABMO CCn1nc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1C ZINC000019523823 220265615 /nfs/dbraw/zinc/26/56/15/220265615.db2.gz ZEOUTHNAPLYMQO-OXJNMPFZSA-N 1 1 366.513 3.172 40 0 FGABMO COc1ccc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc1Cc1c(C)noc1C ZINC000019580999 220276380 /nfs/dbraw/zinc/27/63/80/220276380.db2.gz YODSUYIGVDKBRX-GOSISDBHSA-N 1 1 357.498 3.274 40 0 FGABMO COc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1Cc1c(C)noc1C ZINC000019580999 220276386 /nfs/dbraw/zinc/27/63/86/220276386.db2.gz YODSUYIGVDKBRX-GOSISDBHSA-N 1 1 357.498 3.274 40 0 FGABMO Cc1ccc2[nH]c(-c3cccc(NC(=O)CC[NH+]4CCOCC4)c3)nc2c1 ZINC000019655186 220280668 /nfs/dbraw/zinc/28/06/68/220280668.db2.gz BXNNETRSFXQFNT-UHFFFAOYSA-N 1 1 364.449 3.199 40 0 FGABMO Cc1ccc2nc(-c3cccc(NC(=O)CC[NH+]4CCOCC4)c3)[nH]c2c1 ZINC000019655186 220280671 /nfs/dbraw/zinc/28/06/71/220280671.db2.gz BXNNETRSFXQFNT-UHFFFAOYSA-N 1 1 364.449 3.199 40 0 FGABMO Cc1nc2ccccc2n1Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)nc(C)n1 ZINC000019655895 220281408 /nfs/dbraw/zinc/28/14/08/220281408.db2.gz DHLRTRNMQMIEKP-KRWDZBQOSA-N 1 1 364.497 3.245 40 0 FGABMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cnc(N3CCOCC3)s2)c1 ZINC000019715683 220289701 /nfs/dbraw/zinc/28/97/01/220289701.db2.gz DSRUWMSJEAWZMP-SFHVURJKSA-N 1 1 359.495 3.325 40 0 FGABMO C[NH+](C)[C@@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccccc1F ZINC000057811601 221094674 /nfs/dbraw/zinc/09/46/74/221094674.db2.gz FXHWZNBBIGRFMZ-IBGZPJMESA-N 1 1 370.403 3.183 40 0 FGABMO CO[C@@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)CC[C@]12CCCO2 ZINC000257273997 533472619 /nfs/dbraw/zinc/47/26/19/533472619.db2.gz NJBWGBOYSIFWPR-TZIWHRDSSA-N 1 1 354.450 3.048 40 0 FGABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)CC[C@]12CCCO2 ZINC000257273997 533472622 /nfs/dbraw/zinc/47/26/22/533472622.db2.gz NJBWGBOYSIFWPR-TZIWHRDSSA-N 1 1 354.450 3.048 40 0 FGABMO Cc1ccsc1C[N@H+]1CCc2c(nc(N3CCCC[C@@H]3C)[nH]c2=O)C1 ZINC000072335603 136144338 /nfs/dbraw/zinc/14/43/38/136144338.db2.gz XDSZXTUNTSQBRD-AWEZNQCLSA-N 1 1 358.511 3.077 40 0 FGABMO Cc1ccsc1C[N@@H+]1CCc2c(nc(N3CCCC[C@@H]3C)[nH]c2=O)C1 ZINC000072335603 136144339 /nfs/dbraw/zinc/14/43/39/136144339.db2.gz XDSZXTUNTSQBRD-AWEZNQCLSA-N 1 1 358.511 3.077 40 0 FGABMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(Cc1nccs1)CC2 ZINC000096051793 222002873 /nfs/dbraw/zinc/00/28/73/222002873.db2.gz KQVKXZXULUHXTN-GOSISDBHSA-N 1 1 372.538 3.041 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCC(C)CC4)CC[C@H]32)cc1 ZINC000096057541 222004773 /nfs/dbraw/zinc/00/47/73/222004773.db2.gz NWEKPMOOXGDUAI-NJDAHSKKSA-N 1 1 372.509 3.076 40 0 FGABMO COc1ccc(C[N@@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)cc1 ZINC000096057145 222005384 /nfs/dbraw/zinc/00/53/84/222005384.db2.gz JKEHKZHYOTUOGR-BWAGFHJFSA-N 1 1 370.493 3.400 40 0 FGABMO c1csc(C[N@H+]2Cc3ccnn3C[C@H](COCc3ccccn3)C2)c1 ZINC000096059240 222006715 /nfs/dbraw/zinc/00/67/15/222006715.db2.gz BLHIKDRFULQFCQ-MRXNPFEDSA-N 1 1 354.479 3.188 40 0 FGABMO c1csc(C[N@@H+]2Cc3ccnn3C[C@H](COCc3ccccn3)C2)c1 ZINC000096059240 222006721 /nfs/dbraw/zinc/00/67/21/222006721.db2.gz BLHIKDRFULQFCQ-MRXNPFEDSA-N 1 1 354.479 3.188 40 0 FGABMO O=C(Cc1ccc(Cl)cc1)N1CCC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000096070753 222010593 /nfs/dbraw/zinc/01/05/93/222010593.db2.gz YSXXULMCPBXWGL-UHFFFAOYSA-N 1 1 355.869 3.012 40 0 FGABMO Cc1nc(N(C)C)nc2c1COC[C@@]21CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000096244439 222098854 /nfs/dbraw/zinc/09/88/54/222098854.db2.gz LVDHEOJOQXCURS-FQEVSTJZSA-N 1 1 372.900 3.178 40 0 FGABMO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2cccc(C)n2)c1 ZINC000096248834 222099995 /nfs/dbraw/zinc/09/99/95/222099995.db2.gz CAJORZCFEMWRPL-YADHBBJMSA-N 1 1 351.494 3.092 40 0 FGABMO CC(C)[N@H+]1CC[C@H](c2nnc3ccc(C(=O)Nc4ccccc4F)cn32)C1 ZINC000096267462 222106640 /nfs/dbraw/zinc/10/66/40/222106640.db2.gz CGTQTBGBBZUDQR-AWEZNQCLSA-N 1 1 367.428 3.318 40 0 FGABMO Fc1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)cc1 ZINC000096208198 222078617 /nfs/dbraw/zinc/07/86/17/222078617.db2.gz JLLBDMYTVRKFHG-QUCCMNQESA-N 1 1 356.445 3.099 40 0 FGABMO CN(C)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096215559 222080524 /nfs/dbraw/zinc/08/05/24/222080524.db2.gz UOORAPIJEPVMOM-GOSISDBHSA-N 1 1 353.869 3.449 40 0 FGABMO O=C(C[NH+]1CCCC1)Nc1ccc2c(c1)[C@@H]1Oc3ccccc3C[C@H]1CO2 ZINC000001647766 493796968 /nfs/dbraw/zinc/79/69/68/493796968.db2.gz JTFHWXZWEXRSIO-KSFYIVLOSA-N 1 1 364.445 3.406 40 0 FGABMO COc1ccc(CCC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000029837732 493860632 /nfs/dbraw/zinc/86/06/32/493860632.db2.gz SAQJHCUSDMUVCK-UHFFFAOYSA-N 1 1 352.478 3.192 40 0 FGABMO O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038853737 494118342 /nfs/dbraw/zinc/11/83/42/494118342.db2.gz HSZLPUHFGAWLSS-INIZCTEOSA-N 1 1 370.424 3.448 40 0 FGABMO Cc1nccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072350503 494155767 /nfs/dbraw/zinc/15/57/67/494155767.db2.gz CAEBPYLBWQWKCJ-QGZVFWFLSA-N 1 1 351.429 3.489 40 0 FGABMO Cn1cc(C[N@H+]2CCC[C@@H](c3nccnc3-c3ccc(F)cc3)C2)cn1 ZINC000072359052 494157570 /nfs/dbraw/zinc/15/75/70/494157570.db2.gz CHPOIXNMMGRVCX-QGZVFWFLSA-N 1 1 351.429 3.396 40 0 FGABMO COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(=O)oc2cc(C)ccc12 ZINC000041624540 494172188 /nfs/dbraw/zinc/17/21/88/494172188.db2.gz UUXSIKWCRYNBIS-FHLIZLRMSA-N 1 1 355.434 3.408 40 0 FGABMO COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(=O)oc2cc(C)ccc12 ZINC000041624540 494172190 /nfs/dbraw/zinc/17/21/90/494172190.db2.gz UUXSIKWCRYNBIS-FHLIZLRMSA-N 1 1 355.434 3.408 40 0 FGABMO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccn1)C2)Nc1ccc(Cl)cc1 ZINC000012114371 494204528 /nfs/dbraw/zinc/20/45/28/494204528.db2.gz OQWCVDISJQXWFW-XEWABKELSA-N 1 1 371.868 3.188 40 0 FGABMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccn1)C2)Nc1ccc(Cl)cc1 ZINC000012114371 494204529 /nfs/dbraw/zinc/20/45/29/494204529.db2.gz OQWCVDISJQXWFW-XEWABKELSA-N 1 1 371.868 3.188 40 0 FGABMO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CC[N@H+](Cc2cccs2)C4)no1 ZINC000012185479 494211862 /nfs/dbraw/zinc/21/18/62/494211862.db2.gz HVLTYTFHEGOFJE-UHFFFAOYSA-N 1 1 367.434 3.018 40 0 FGABMO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CC[N@@H+](Cc2cccs2)C4)no1 ZINC000012185479 494211867 /nfs/dbraw/zinc/21/18/67/494211867.db2.gz HVLTYTFHEGOFJE-UHFFFAOYSA-N 1 1 367.434 3.018 40 0 FGABMO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+](Cc4ccc(C)o4)[C@H]3C2)cc1 ZINC000012188436 494212805 /nfs/dbraw/zinc/21/28/05/494212805.db2.gz IZFLGORVMDQUQA-XLIONFOSSA-N 1 1 354.450 3.333 40 0 FGABMO Cc1cnc2[nH]c(-c3cccs3)c(C[N@H+]3CCC[C@H](C(N)=O)C3)c2c1 ZINC000012223076 494216123 /nfs/dbraw/zinc/21/61/23/494216123.db2.gz WVJBPZGQEOIKFS-ZDUSSCGKSA-N 1 1 354.479 3.297 40 0 FGABMO Cn1c2ccc(Cl)cc2nc1CCC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000019712455 494456416 /nfs/dbraw/zinc/45/64/16/494456416.db2.gz CCXSSNRFAAKVHA-QZTJIDSGSA-N 1 1 374.916 3.245 40 0 FGABMO CN(Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048049 494998340 /nfs/dbraw/zinc/99/83/40/494998340.db2.gz OKBOQWBGXBHNDZ-IBGZPJMESA-N 1 1 357.523 3.399 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)cc1 ZINC000096100385 495001158 /nfs/dbraw/zinc/00/11/58/495001158.db2.gz VQJUEBUEHMVUOB-XZOQPEGZSA-N 1 1 364.489 3.460 40 0 FGABMO COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@](O)(c3ccc(C)cn3)[C@H]2C1 ZINC000247914317 496927085 /nfs/dbraw/zinc/92/70/85/496927085.db2.gz LPAQBXVYIBNNSL-LQBOVUBWSA-N 1 1 352.478 3.437 40 0 FGABMO COC[C@@H]1C[N@@H+](C)CC12CCN(C(=O)Cc1csc3ccccc13)CC2 ZINC000248027545 496945382 /nfs/dbraw/zinc/94/53/82/496945382.db2.gz MYVLLXMHSZWDCU-KRWDZBQOSA-N 1 1 372.534 3.261 40 0 FGABMO Cc1ccc(C[N@@H+]2CCO[C@H]3C[C@@H](COCc4cccc(C)n4)C[C@@H]32)o1 ZINC000248091470 496953767 /nfs/dbraw/zinc/95/37/67/496953767.db2.gz LPVZQJXTNJXEQT-YYWHXJBOSA-N 1 1 356.466 3.488 40 0 FGABMO Cc1ccc(C[N@H+]2CCO[C@H]3C[C@@H](COCc4cccc(C)n4)C[C@@H]32)o1 ZINC000248091470 496953769 /nfs/dbraw/zinc/95/37/69/496953769.db2.gz LPVZQJXTNJXEQT-YYWHXJBOSA-N 1 1 356.466 3.488 40 0 FGABMO COc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000248121611 496956506 /nfs/dbraw/zinc/95/65/06/496956506.db2.gz FIRHTCAPLNMDCP-GOSISDBHSA-N 1 1 356.491 3.367 40 0 FGABMO C[C@@H]1Cc2cc(CC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)ccc2O1 ZINC000248129362 496958911 /nfs/dbraw/zinc/95/89/11/496958911.db2.gz MRUKVWYIFDOPDI-UZLBHIALSA-N 1 1 350.462 3.068 40 0 FGABMO C[C@@H]1Cc2cc(CC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)ccc2O1 ZINC000248129362 496958914 /nfs/dbraw/zinc/95/89/14/496958914.db2.gz MRUKVWYIFDOPDI-UZLBHIALSA-N 1 1 350.462 3.068 40 0 FGABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218583131 497004010 /nfs/dbraw/zinc/00/40/10/497004010.db2.gz HAIVUHIJGITGAJ-PCCBWWKXSA-N 1 1 373.518 3.231 40 0 FGABMO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000224586680 497050872 /nfs/dbraw/zinc/05/08/72/497050872.db2.gz LTHISLYWXVWGCI-UHFFFAOYSA-N 1 1 374.868 3.111 40 0 FGABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1cnc3ccccc3c1)C2 ZINC000225493366 497064529 /nfs/dbraw/zinc/06/45/29/497064529.db2.gz UUEARFPATUKPNC-FQEVSTJZSA-N 1 1 362.477 3.141 40 0 biogenic,in-vitro FGABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1cnc3ccccc3c1)C2 ZINC000225493366 497064532 /nfs/dbraw/zinc/06/45/32/497064532.db2.gz UUEARFPATUKPNC-FQEVSTJZSA-N 1 1 362.477 3.141 40 0 biogenic,in-vitro FGABMO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](CCCc2ccccc2)CC[C@@]1(C)O ZINC000604382638 506808957 /nfs/dbraw/zinc/80/89/57/506808957.db2.gz WLBDPBPKMGZHHX-RJGXRXQPSA-N 1 1 366.505 3.322 40 0 biogenic,in-vitro FGABMO C[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ccc(O)cc2)CC3)C1 ZINC000585103070 507568550 /nfs/dbraw/zinc/56/85/50/507568550.db2.gz CDAIHZRRAVLUQB-FXAWDEMLSA-N 1 1 372.509 3.135 40 0 FGABMO O=C(c1ccc(O)cc1)N1CCC[C@]2(CCC[N@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100338 507568896 /nfs/dbraw/zinc/56/88/96/507568896.db2.gz KNOSBLGIUSKMKL-FPOVZHCZSA-N 1 1 358.482 3.032 40 0 FGABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2CCC[C@]3(C)NC(=O)CCC[C@H]23)CC1 ZINC000585284605 507584074 /nfs/dbraw/zinc/58/40/74/507584074.db2.gz UBVYVUOLYHNSKT-IDPBPBMLSA-N 1 1 350.547 3.477 40 0 FGABMO CC1(C)CCC([N@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585281741 507585007 /nfs/dbraw/zinc/58/50/07/507585007.db2.gz ADTLOCAAPPZAON-FQEVSTJZSA-N 1 1 369.452 3.376 40 0 FGABMO CC(C)[NH+]1CCN([C@H]2CCC[C@@H](Oc3ccccc3Cl)[C@@H]2O)CC1 ZINC000585289025 507587067 /nfs/dbraw/zinc/58/70/67/507587067.db2.gz CYNXAWKJFWMJDQ-QXAKKESOSA-N 1 1 352.906 3.027 40 0 FGABMO Cc1cccc(C[N@H+]2CC[C@H](c3ccnc(Nc4cc(F)ccn4)n3)C2)n1 ZINC000257276604 534712371 /nfs/dbraw/zinc/71/23/71/534712371.db2.gz NULMBEQLXZSMGC-HNNXBMFYSA-N 1 1 364.428 3.447 40 0 FGABMO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019809671 524320800 /nfs/dbraw/zinc/32/08/00/524320800.db2.gz ZPNGFNGQJIEFPG-GOSISDBHSA-N 1 1 358.457 3.004 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2N1Cc1cccs1 ZINC000306142702 534854104 /nfs/dbraw/zinc/85/41/04/534854104.db2.gz XGQFKNKQGKNOIZ-RBUKOAKNSA-N 1 1 364.474 3.026 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2N1Cc1cccs1 ZINC000306142702 534854107 /nfs/dbraw/zinc/85/41/07/534854107.db2.gz XGQFKNKQGKNOIZ-RBUKOAKNSA-N 1 1 364.474 3.026 40 0 FGABMO CC(C)CNC(=O)c1cnn2c1nccc2[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000306131093 528065214 /nfs/dbraw/zinc/06/52/14/528065214.db2.gz JWNUWSPDBARFHC-MRXNPFEDSA-N 1 1 369.513 3.237 40 0 FGABMO CCOc1ccccc1-c1cc(C(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)n[nH]1 ZINC000257324251 528700847 /nfs/dbraw/zinc/70/08/47/528700847.db2.gz WNVSFVFHKOFOFT-CTNGQTDRSA-N 1 1 368.481 3.222 40 0 FGABMO C[N@H+]1CCN(Cc2cscn2)C[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257271835 529775332 /nfs/dbraw/zinc/77/53/32/529775332.db2.gz MZYYADBHVXNTRD-KRWDZBQOSA-N 1 1 352.507 3.298 40 0 FGABMO Cc1cccc(Nc2cnc([C@H]3CCC[N@@H+](Cc4nccn4C)C3)cn2)n1 ZINC000257235205 223031981 /nfs/dbraw/zinc/03/19/81/223031981.db2.gz GWWROPNLHQWGJP-INIZCTEOSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1cccc(Nc2cnc([C@H]3CCC[N@H+](Cc4nccn4C)C3)cn2)n1 ZINC000257235205 223031984 /nfs/dbraw/zinc/03/19/84/223031984.db2.gz GWWROPNLHQWGJP-INIZCTEOSA-N 1 1 363.469 3.037 40 0 FGABMO C[C@]1(C2CC[NH+](Cc3cc[nH]n3)CC2)CN(c2ccc(F)cc2)C(=O)O1 ZINC000257246485 223036420 /nfs/dbraw/zinc/03/64/20/223036420.db2.gz IUHKHTJOJWNLSK-LJQANCHMSA-N 1 1 358.417 3.176 40 0 FGABMO Cc1cccnc1Nc1cc(C[C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)ncn1 ZINC000257284418 223049732 /nfs/dbraw/zinc/04/97/32/223049732.db2.gz PCPYXQGBFQPZER-MRXNPFEDSA-N 1 1 363.469 3.101 40 0 FGABMO Cc1cccnc1Nc1cc(C[C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)ncn1 ZINC000257284418 223049734 /nfs/dbraw/zinc/04/97/34/223049734.db2.gz PCPYXQGBFQPZER-MRXNPFEDSA-N 1 1 363.469 3.101 40 0 FGABMO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@@H+](Cc3nccs3)C2)ncn1 ZINC000257287311 223050737 /nfs/dbraw/zinc/05/07/37/223050737.db2.gz PPJZHIZPAMKPJR-CQSZACIVSA-N 1 1 355.467 3.270 40 0 FGABMO Cc1ncc(CNC(=O)Cc2ccc(Cl)cc2)c([C@H]2CCC[N@@H+]2C)n1 ZINC000257336938 223070856 /nfs/dbraw/zinc/07/08/56/223070856.db2.gz YQRIWTBUAAANPV-QGZVFWFLSA-N 1 1 358.873 3.064 40 0 FGABMO COc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccco4)C2)OC3)cc1 ZINC000306129335 223109180 /nfs/dbraw/zinc/10/91/80/223109180.db2.gz IAXJNHCWLZLRIH-NRFANRHFSA-N 1 1 365.433 3.327 40 0 FGABMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)n1 ZINC000019236246 220242926 /nfs/dbraw/zinc/24/29/26/220242926.db2.gz NZFSLUVMBZGPNK-LJQANCHMSA-N 1 1 361.449 3.263 40 0 FGABMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)n1 ZINC000019236246 220242931 /nfs/dbraw/zinc/24/29/31/220242931.db2.gz NZFSLUVMBZGPNK-LJQANCHMSA-N 1 1 361.449 3.263 40 0 FGABMO COc1ccccc1/C=C/C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1nccn1C ZINC000019291357 220245572 /nfs/dbraw/zinc/24/55/72/220245572.db2.gz DDPMXSRHYSTGIU-MCVNZZMPSA-N 1 1 367.493 3.062 40 0 FGABMO CC(C)c1[nH+]ccn1CC(=O)N1CCc2onc(Nc3ccccc3)c2C1 ZINC000019454382 220257142 /nfs/dbraw/zinc/25/71/42/220257142.db2.gz VWSANVSHHMQSFV-UHFFFAOYSA-N 1 1 365.437 3.323 40 0 FGABMO C[C@@H]1CCCC[N@H+]1CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 ZINC000019496337 220261905 /nfs/dbraw/zinc/26/19/05/220261905.db2.gz BBLAZTQPRHNJLW-MRXNPFEDSA-N 1 1 366.509 3.397 40 0 FGABMO CN(C(=O)c1ccncc1)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019590889 220279145 /nfs/dbraw/zinc/27/91/45/220279145.db2.gz PXQQSWWEVYVQRX-UHFFFAOYSA-N 1 1 365.477 3.359 40 0 FGABMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccccc1 ZINC000059616882 221126109 /nfs/dbraw/zinc/12/61/09/221126109.db2.gz WBPLFGZLXPQFKC-OAQYLSRUSA-N 1 1 352.478 3.326 40 0 FGABMO COc1cc(C)ccc1C[N@H+]1CC[C@H](c2ncncc2-c2noc(C)n2)C1 ZINC000257213488 533655334 /nfs/dbraw/zinc/65/53/34/533655334.db2.gz CHUCKIADRIABGH-INIZCTEOSA-N 1 1 365.437 3.142 40 0 FGABMO CC(C)c1nc(N[C@@H](C)CO)cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]1 ZINC000329019896 132372688 /nfs/dbraw/zinc/37/26/88/132372688.db2.gz NYXFIDQVYQTSII-GJZGRUSLSA-N 1 1 370.497 3.009 40 0 FGABMO c1ccc(CC[N@H+]2CCC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)cc1 ZINC000096107282 222025812 /nfs/dbraw/zinc/02/58/12/222025812.db2.gz XZGFTYLWPZAWHK-YADHBBJMSA-N 1 1 352.478 3.464 40 0 FGABMO Cc1csc(C[NH+]2CCC3(C[C@@H](OCc4ccncc4)CO3)CC2)n1 ZINC000096106853 222026515 /nfs/dbraw/zinc/02/65/15/222026515.db2.gz DMXOGCRJUHYHBS-QGZVFWFLSA-N 1 1 359.495 3.187 40 0 FGABMO FC(F)(F)c1ccc(O[C@H]2COCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000096113168 222031046 /nfs/dbraw/zinc/03/10/46/222031046.db2.gz NRNHOBZIOLSMAV-QGZVFWFLSA-N 1 1 352.356 3.380 40 0 biogenic,in-vitro FGABMO FC(F)(F)c1ccc(O[C@H]2COCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000096113168 222031050 /nfs/dbraw/zinc/03/10/50/222031050.db2.gz NRNHOBZIOLSMAV-QGZVFWFLSA-N 1 1 352.356 3.380 40 0 biogenic,in-vitro FGABMO COc1ccc(C[N@H+]2C[C@@H](OCc3ccncc3)[C@@H]3OCCC[C@@H]32)cc1 ZINC000096058130 222005357 /nfs/dbraw/zinc/00/53/57/222005357.db2.gz IEGIDXYZAOMDKD-PWRODBHTSA-N 1 1 354.450 3.039 40 0 FGABMO C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061290 222006603 /nfs/dbraw/zinc/00/66/03/222006603.db2.gz ASWYRJQGYYSZCZ-NYSBEXSLSA-N 1 1 360.473 3.112 40 0 FGABMO c1nc2c(n1CC1CC1)[C@H](COCc1cccnc1)C[N@@H+](CC1CC1)C2 ZINC000096068677 222010463 /nfs/dbraw/zinc/01/04/63/222010463.db2.gz SVUTWROJDIVMFG-IBGZPJMESA-N 1 1 352.482 3.214 40 0 FGABMO CN1C[C@@H](COCC2CC2)[C@H]2CC[N@@H+](Cc3ccccc3)CC[C@H]2C1=O ZINC000096100526 222022550 /nfs/dbraw/zinc/02/25/50/222022550.db2.gz MACUWKKBKAGAAX-PWRODBHTSA-N 1 1 356.510 3.030 40 0 FGABMO Cc1ccccc1C[N@H+]1CC[C@@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244096 222099261 /nfs/dbraw/zinc/09/92/61/222099261.db2.gz FVZIIJNLDISDRH-JOCHJYFZSA-N 1 1 364.493 3.281 40 0 FGABMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)Nc1ccccc1F)CCC2 ZINC000096259253 222103932 /nfs/dbraw/zinc/10/39/32/222103932.db2.gz JREBAAQEPHDTSD-UHFFFAOYSA-N 1 1 359.449 3.300 40 0 FGABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)Nc1ccccc1F)CCC2 ZINC000096259253 222103934 /nfs/dbraw/zinc/10/39/34/222103934.db2.gz JREBAAQEPHDTSD-UHFFFAOYSA-N 1 1 359.449 3.300 40 0 FGABMO CCN(CC)C(=O)c1nc2c(s1)CC[N@@H+](Cc1cccc(OC)c1)CC2 ZINC000096147054 222048320 /nfs/dbraw/zinc/04/83/20/222048320.db2.gz ICNBNGROJWXIDK-UHFFFAOYSA-N 1 1 373.522 3.235 40 0 FGABMO Cc1ccsc1C[N@H+]1CC[C@H]2[C@@H](Cc3nnc(C4CC4)o3)OC[C@H]2C1 ZINC000096208433 222078353 /nfs/dbraw/zinc/07/83/53/222078353.db2.gz KESMYBQSGSGTDO-BZUAXINKSA-N 1 1 359.495 3.397 40 0 FGABMO c1cc(C[N@@H+]2CCC[C@]3(C[C@H](OCC4CCOCC4)CO3)C2)cs1 ZINC000096208563 222078913 /nfs/dbraw/zinc/07/89/13/222078913.db2.gz NNITXDWDYUCRPE-OALUTQOASA-N 1 1 351.512 3.315 40 0 FGABMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccco4)C3)C2)c1 ZINC000096215596 222079986 /nfs/dbraw/zinc/07/99/86/222079986.db2.gz YTLMTNRUFFZJRN-NRFANRHFSA-N 1 1 354.450 3.417 40 0 FGABMO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096216032 222082357 /nfs/dbraw/zinc/08/23/57/222082357.db2.gz ZKMVOMXXBDSNCY-HXUWFJFHSA-N 1 1 373.522 3.410 40 0 FGABMO CCC(CC)C[N@H+]1CC[C@@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC000096226101 222088780 /nfs/dbraw/zinc/08/87/80/222088780.db2.gz UVUIJHWYDZTCGQ-HXUWFJFHSA-N 1 1 361.461 3.099 40 0 FGABMO CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000096319720 222115286 /nfs/dbraw/zinc/11/52/86/222115286.db2.gz NYMSHHACQZYUOH-SFHVURJKSA-N 1 1 372.513 3.337 40 0 FGABMO COc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCc1ccc(F)cc1 ZINC000408578406 263475443 /nfs/dbraw/zinc/47/54/43/263475443.db2.gz YDCAMOJACOQMRJ-UHFFFAOYSA-N 1 1 374.481 3.336 40 0 FGABMO O=C(C[NH+]1CCC(n2nnc3ccccc32)CC1)Nc1ccccc1Cl ZINC000004895212 493899627 /nfs/dbraw/zinc/89/96/27/493899627.db2.gz VPRMDYSKRNVDAC-UHFFFAOYSA-N 1 1 369.856 3.360 40 0 FGABMO O=S(=O)(c1ccc2ccccc2c1)N1CC[NH+]([C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000005650318 493938268 /nfs/dbraw/zinc/93/82/68/493938268.db2.gz QPKYIYQFMYDLSP-PBEJRMEISA-N 1 1 370.518 3.335 40 0 FGABMO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000008499091 494094134 /nfs/dbraw/zinc/09/41/34/494094134.db2.gz YALDOMZTRUEHHT-LJQANCHMSA-N 1 1 352.478 3.415 40 0 FGABMO COC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038835138 494118537 /nfs/dbraw/zinc/11/85/37/494118537.db2.gz HKJLJHQQCXZBRJ-KRWDZBQOSA-N 1 1 370.424 3.463 40 0 FGABMO COc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038848832 494118768 /nfs/dbraw/zinc/11/87/68/494118768.db2.gz IOPQCAYVCUPLIS-SFHVURJKSA-N 1 1 356.441 3.363 40 0 FGABMO CC[N@H+]1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216454 494144304 /nfs/dbraw/zinc/14/43/04/494144304.db2.gz CDYDZDWAKPFBSN-KRWDZBQOSA-N 1 1 360.502 3.296 40 0 FGABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000072227789 494145335 /nfs/dbraw/zinc/14/53/35/494145335.db2.gz UDEGJDCFAXNPJD-CVEARBPZSA-N 1 1 367.232 3.426 40 0 FGABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2c(c1)OCO2 ZINC000072227801 494145592 /nfs/dbraw/zinc/14/55/92/494145592.db2.gz BPKQLIPHWBVFDB-CABCVRRESA-N 1 1 351.189 3.137 40 0 FGABMO COC[C@H]1CN(C(=O)C2CCCCC2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354450 494156784 /nfs/dbraw/zinc/15/67/84/494156784.db2.gz MUTNUPJDLZEAKI-HXUWFJFHSA-N 1 1 358.526 3.216 40 0 FGABMO O=c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392883 494161806 /nfs/dbraw/zinc/16/18/06/494161806.db2.gz HCGCSMCADAWSHO-QGZVFWFLSA-N 1 1 364.424 3.351 40 0 FGABMO O=c1cc([C@H]2CCC[N@@H+](Cc3cccs3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392890 494161910 /nfs/dbraw/zinc/16/19/10/494161910.db2.gz OQQPEFKGQDFBAZ-HNNXBMFYSA-N 1 1 352.463 3.273 40 0 FGABMO O=c1cc([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)nc(-c2ccccn2)[nH]1 ZINC000072393195 494163425 /nfs/dbraw/zinc/16/34/25/494163425.db2.gz TWIQMJOAMFABET-MRXNPFEDSA-N 1 1 364.424 3.351 40 0 FGABMO COc1c(C)cnc(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)c1C ZINC000012087599 494202968 /nfs/dbraw/zinc/20/29/68/494202968.db2.gz LHRAXZZNRASDDF-MRXNPFEDSA-N 1 1 367.449 3.452 40 0 FGABMO COc1c(C)c[nH+]c(CN2CCC[C@@H](n3c4ccccc4oc3=O)C2)c1C ZINC000012087599 494202973 /nfs/dbraw/zinc/20/29/73/494202973.db2.gz LHRAXZZNRASDDF-MRXNPFEDSA-N 1 1 367.449 3.452 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)c(OC)c1 ZINC000012119125 494206224 /nfs/dbraw/zinc/20/62/24/494206224.db2.gz CCWOSRGPTYPFFW-INIZCTEOSA-N 1 1 368.433 3.449 40 0 FGABMO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+][C@@H](C)c3ccccn3)cc12 ZINC000012148012 494209454 /nfs/dbraw/zinc/20/94/54/494209454.db2.gz MUIUPIBYPJUTTF-HNNXBMFYSA-N 1 1 359.433 3.268 40 0 FGABMO CCCO[C@@H]1CCC[N@@H+](Cc2cn(CC(=O)NC3CC3)c3ccccc23)C1 ZINC000012241466 494217007 /nfs/dbraw/zinc/21/70/07/494217007.db2.gz XSRCTVSALBLIHZ-LJQANCHMSA-N 1 1 369.509 3.311 40 0 FGABMO Cc1cc(C)c(S(=O)(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000013613486 494290562 /nfs/dbraw/zinc/29/05/62/494290562.db2.gz QFQAQPVUIDTALP-IYBDPMFKSA-N 1 1 352.544 3.258 40 0 FGABMO CC(C)c1ccc(C[N@@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)cc1 ZINC000019453306 494444878 /nfs/dbraw/zinc/44/48/78/494444878.db2.gz IHLKOIZQALJZID-UHFFFAOYSA-N 1 1 366.509 3.442 40 0 FGABMO CC(C)c1ccc(C[N@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)cc1 ZINC000019453306 494444882 /nfs/dbraw/zinc/44/48/82/494444882.db2.gz IHLKOIZQALJZID-UHFFFAOYSA-N 1 1 366.509 3.442 40 0 FGABMO CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CC[N@@H+](CCCc2ccccc2)C1 ZINC000019695844 494454555 /nfs/dbraw/zinc/45/45/55/494454555.db2.gz STQVKAKJNYQWFY-JOCHJYFZSA-N 1 1 369.509 3.411 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000107728589 494591353 /nfs/dbraw/zinc/59/13/53/494591353.db2.gz JUBQICUQWMOVFS-OXQOHEQNSA-N 1 1 357.429 3.075 40 0 FGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1ccc(Cl)cc1 ZINC000047325019 494681929 /nfs/dbraw/zinc/68/19/29/494681929.db2.gz WPAUNAPHSSAHOA-UHFFFAOYSA-N 1 1 359.857 3.494 40 0 FGABMO O[C@@H]1C[C@H]2CN(Cc3ccccc3Cl)[C@H](Cc3ccccc3)C[N@H+]2C1 ZINC000095499961 494981108 /nfs/dbraw/zinc/98/11/08/494981108.db2.gz KKZOXUZTTJUWMY-HSALFYBXSA-N 1 1 356.897 3.202 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccnc2)C3)cc1 ZINC000096047048 494997945 /nfs/dbraw/zinc/99/79/45/494997945.db2.gz ZXWXGHIQCOTINM-QFIPXVFZSA-N 1 1 365.477 3.219 40 0 FGABMO O=C(Cc1cccnc1)N1CCC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096047115 494998617 /nfs/dbraw/zinc/99/86/17/494998617.db2.gz RRNYYRMAHZOTLC-HXUWFJFHSA-N 1 1 355.507 3.200 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@]3(C[C@H](Nc4ccc(C)nn4)CO3)C2)cc1 ZINC000096048469 495000034 /nfs/dbraw/zinc/00/00/34/495000034.db2.gz HUUGNFFMTNKIER-RXVVDRJESA-N 1 1 368.481 3.029 40 0 FGABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218583206 497003292 /nfs/dbraw/zinc/00/32/92/497003292.db2.gz HAIVUHIJGITGAJ-ACRUOGEOSA-N 1 1 373.518 3.231 40 0 FGABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000242495518 497354374 /nfs/dbraw/zinc/35/43/74/497354374.db2.gz GHGMPYFXKUZKOP-KURKYZTESA-N 1 1 365.882 3.014 40 0 FGABMO Cn1cncc1C[N@H+]1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257200207 497389353 /nfs/dbraw/zinc/38/93/53/497389353.db2.gz ACKCYZACBRCGMY-CBQOVEMMSA-N 1 1 366.509 3.055 40 0 FGABMO CC(C)c1nc(NCCCO)cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]1 ZINC000329003927 499012348 /nfs/dbraw/zinc/01/23/48/499012348.db2.gz KPJLVNKCQYDHQI-HNNXBMFYSA-N 1 1 370.497 3.010 40 0 FGABMO O=C1N(CC2CCCCC2)C[C@@]12CCC[N@@H+](Cc1cnc(Cl)cn1)C2 ZINC000585099646 507565816 /nfs/dbraw/zinc/56/58/16/507565816.db2.gz UQRZAPFAXDMRRC-IBGZPJMESA-N 1 1 362.905 3.135 40 0 FGABMO O=C1N(CC2CCCCC2)C[C@@]12CCC[N@H+](Cc1cnc(Cl)cn1)C2 ZINC000585099646 507565824 /nfs/dbraw/zinc/56/58/24/507565824.db2.gz UQRZAPFAXDMRRC-IBGZPJMESA-N 1 1 362.905 3.135 40 0 FGABMO O=C(c1nccc2ccccc21)N1CCC[C@@]2(CC[N@H+]2C[C@@H]2CCCO2)C1 ZINC000585102107 507569075 /nfs/dbraw/zinc/56/90/75/507569075.db2.gz RVRDORXXJHDBFO-PGRDOPGGSA-N 1 1 365.477 3.094 40 0 FGABMO CCCC(CCC)[N@H+]1CC[C@H](O)[C@@](O)(COc2cccc(Cl)c2)C1 ZINC000585282371 507583940 /nfs/dbraw/zinc/58/39/40/507583940.db2.gz ILUAQOLUQGPGLV-OALUTQOASA-N 1 1 355.906 3.485 40 0 FGABMO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020038192 523042765 /nfs/dbraw/zinc/04/27/65/523042765.db2.gz BGAWWIFNYXYLOD-JTDSTZFVSA-N 1 1 350.478 3.467 40 0 FGABMO Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1c1cccc(C(=O)Nc2nccs2)n1 ZINC000257235685 534854073 /nfs/dbraw/zinc/85/40/73/534854073.db2.gz GYXIAMFBMNJNMA-INIZCTEOSA-N 1 1 368.466 3.159 40 0 FGABMO Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1cccc(C(=O)Nc2nccs2)n1 ZINC000257235685 534854074 /nfs/dbraw/zinc/85/40/74/534854074.db2.gz GYXIAMFBMNJNMA-INIZCTEOSA-N 1 1 368.466 3.159 40 0 FGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000020462532 527383407 /nfs/dbraw/zinc/38/34/07/527383407.db2.gz JMDHONVIFIMHAT-VQHVLOKHSA-N 1 1 361.401 3.239 40 0 FGABMO CC(C)CC[N@@H+]1C[C@@H]2[C@H](C1)Oc1ccc(C(F)(F)F)cc1C(=O)N2C ZINC000514288641 560034353 /nfs/dbraw/zinc/03/43/53/560034353.db2.gz KSPHQLJUVYASFE-ZBFHGGJFSA-N 1 1 356.388 3.269 40 0 biogenic,in-vitro FGABMO C[N@H+]1CCN(Cc2cncs2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257295232 529775291 /nfs/dbraw/zinc/77/52/91/529775291.db2.gz QXNLXUXMTVMUDB-INIZCTEOSA-N 1 1 352.507 3.298 40 0 FGABMO CN1CC[N@H+](Cc2cncs2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257295232 529775292 /nfs/dbraw/zinc/77/52/92/529775292.db2.gz QXNLXUXMTVMUDB-INIZCTEOSA-N 1 1 352.507 3.298 40 0 FGABMO CN1CC[N@@H+](Cc2cncs2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257295232 529775294 /nfs/dbraw/zinc/77/52/94/529775294.db2.gz QXNLXUXMTVMUDB-INIZCTEOSA-N 1 1 352.507 3.298 40 0 FGABMO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC000257257743 223040001 /nfs/dbraw/zinc/04/00/01/223040001.db2.gz KQWYNXRWAMYJPF-MRXNPFEDSA-N 1 1 363.469 3.037 40 0 FGABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)c1 ZINC000257281613 223049637 /nfs/dbraw/zinc/04/96/37/223049637.db2.gz OQCWFBZADQRZEE-SFHVURJKSA-N 1 1 363.469 3.303 40 0 FGABMO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3c[nH]nc3C)C2)n1 ZINC000257340710 223071646 /nfs/dbraw/zinc/07/16/46/223071646.db2.gz ZHGLMQUCZYKOBS-CQSZACIVSA-N 1 1 369.498 3.396 40 0 FGABMO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(C)cc3)n2)cc1 ZINC000015674708 220159007 /nfs/dbraw/zinc/15/90/07/220159007.db2.gz KLFVKEUMLMEIGX-MJGOQNOKSA-N 1 1 365.433 3.362 40 0 biogenic,in-vitro FGABMO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(C)cc3)n2)cc1 ZINC000015674708 220159010 /nfs/dbraw/zinc/15/90/10/220159010.db2.gz KLFVKEUMLMEIGX-MJGOQNOKSA-N 1 1 365.433 3.362 40 0 biogenic,in-vitro FGABMO O=C(C[NH+]1CCCCCC1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000016740516 220192152 /nfs/dbraw/zinc/19/21/52/220192152.db2.gz UNDBBFNAPIJHLK-UHFFFAOYSA-N 1 1 373.478 3.396 40 0 FGABMO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@H+]2Cc1cccnc1 ZINC000019017780 220233646 /nfs/dbraw/zinc/23/36/46/220233646.db2.gz XMDLBIJFHDTVNY-NJDAHSKKSA-N 1 1 353.441 3.200 40 0 FGABMO CC(=O)N1Cc2ccccc2O[C@@H]([C@H]2CCC[N@@H+](Cc3ccccn3)C2)C1 ZINC000019019671 220233932 /nfs/dbraw/zinc/23/39/32/220233932.db2.gz DAYGVGPYVOLATK-PGRDOPGGSA-N 1 1 365.477 3.103 40 0 FGABMO Cc1ccc([C@H](C)C(=O)N2CCc3nc([C@@H]4CCC[N@@H+]4C)ncc3C2)cc1 ZINC000019136190 220238438 /nfs/dbraw/zinc/23/84/38/220238438.db2.gz GERXROOWYJINKR-JXFKEZNVSA-N 1 1 364.493 3.240 40 0 FGABMO Cc1ccc([C@H](C)C(=O)N2CCc3nc([C@@H]4CCC[N@H+]4C)ncc3C2)cc1 ZINC000019136190 220238440 /nfs/dbraw/zinc/23/84/40/220238440.db2.gz GERXROOWYJINKR-JXFKEZNVSA-N 1 1 364.493 3.240 40 0 FGABMO O=c1cc(-c2ccccn2)nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)[nH]1 ZINC000019402433 220254900 /nfs/dbraw/zinc/25/49/00/220254900.db2.gz RILXQDZZXMMNKM-MRXNPFEDSA-N 1 1 364.424 3.351 40 0 FGABMO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)no2)CC1 ZINC000019496768 220262085 /nfs/dbraw/zinc/26/20/85/220262085.db2.gz RTFXRUONLCABEP-GOSISDBHSA-N 1 1 368.481 3.321 40 0 FGABMO COc1ccc2[nH]c(C[NH+]3CCC(N4C[C@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000019497377 220264105 /nfs/dbraw/zinc/26/41/05/220264105.db2.gz QXJUVXWLNPJYJH-HOTGVXAUSA-N 1 1 357.498 3.250 40 0 FGABMO Cc1ccc2c(cc(C(=O)N3CCC[N@H+](Cc4ccccn4)CC3)n2C)c1 ZINC000019661175 220283069 /nfs/dbraw/zinc/28/30/69/220283069.db2.gz XJPBZHPCRQPOQQ-UHFFFAOYSA-N 1 1 362.477 3.230 40 0 FGABMO Cc1ccc2c(cc(C(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)n2C)c1 ZINC000019661175 220283075 /nfs/dbraw/zinc/28/30/75/220283075.db2.gz XJPBZHPCRQPOQQ-UHFFFAOYSA-N 1 1 362.477 3.230 40 0 FGABMO Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000072378525 221487746 /nfs/dbraw/zinc/48/77/46/221487746.db2.gz HQLUHHRNGHFAHS-IBGZPJMESA-N 1 1 361.449 3.267 40 0 FGABMO Cc1nc(CN2CC[C@@]3(CCCN(c4cccc(C)[nH+]4)C3)C2=O)cs1 ZINC000096224367 132222545 /nfs/dbraw/zinc/22/25/45/132222545.db2.gz GKLBXZBSJBQDHY-LJQANCHMSA-N 1 1 356.495 3.174 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cc1 ZINC000096050727 222001798 /nfs/dbraw/zinc/00/17/98/222001798.db2.gz BDUCPEYQZFOXIJ-NRFANRHFSA-N 1 1 354.425 3.463 40 0 FGABMO Cc1ccc(CN2CC[N@H+]3C[C@H](OCc4cccc(C)n4)C[C@@H]3C2)s1 ZINC000096055086 222005780 /nfs/dbraw/zinc/00/57/80/222005780.db2.gz URJOYYSFRMYGFF-RTBURBONSA-N 1 1 357.523 3.235 40 0 FGABMO Cc1ccc(C[N@@H+]2CCN3C[C@H](OCc4cccc(C)n4)C[C@@H]3C2)s1 ZINC000096055086 222005785 /nfs/dbraw/zinc/00/57/85/222005785.db2.gz URJOYYSFRMYGFF-RTBURBONSA-N 1 1 357.523 3.235 40 0 FGABMO Cc1ccc(C[N@H+]2CCN3C[C@H](OCc4cccc(C)n4)C[C@@H]3C2)s1 ZINC000096055086 222005789 /nfs/dbraw/zinc/00/57/89/222005789.db2.gz URJOYYSFRMYGFF-RTBURBONSA-N 1 1 357.523 3.235 40 0 FGABMO CC(C)[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccc4ncccc43)C2)C1 ZINC000096076228 222013809 /nfs/dbraw/zinc/01/38/09/222013809.db2.gz HFGZCIUEANNHLP-QFIPXVFZSA-N 1 1 367.493 3.198 40 0 FGABMO c1ccc(CN2C[C@@H]3C[N@@H+](C4CCN(Cc5ccccc5)CC4)[C@H]3C2)cc1 ZINC000096244935 222099252 /nfs/dbraw/zinc/09/92/52/222099252.db2.gz ZPFGVAAOABTWTR-VWNXMTODSA-N 1 1 361.533 3.467 40 0 FGABMO c1ccc(CN2C[C@@H]3C[N@H+](C4CCN(Cc5ccccc5)CC4)[C@H]3C2)cc1 ZINC000096244935 222099254 /nfs/dbraw/zinc/09/92/54/222099254.db2.gz ZPFGVAAOABTWTR-VWNXMTODSA-N 1 1 361.533 3.467 40 0 FGABMO CC(C)CNc1nc2c(cc1C(=O)N1CCCC1)CC[N@@H+](CC(C)C)CC2 ZINC000096260544 222103701 /nfs/dbraw/zinc/10/37/01/222103701.db2.gz HYMNYJUUZDYZIG-UHFFFAOYSA-N 1 1 372.557 3.442 40 0 FGABMO CC(C)[N@H+]1CC[C@@H](c2nnc3ccc(C(=O)Nc4ccccc4F)cn32)C1 ZINC000096267463 222107645 /nfs/dbraw/zinc/10/76/45/222107645.db2.gz CGTQTBGBBZUDQR-CQSZACIVSA-N 1 1 367.428 3.318 40 0 FGABMO COc1cccc(C[N@@H+]2CCc3nc(C(=O)NCC(C)C)sc3CC2)c1 ZINC000096146983 222048554 /nfs/dbraw/zinc/04/85/54/222048554.db2.gz YDTXNPXKCIJELS-UHFFFAOYSA-N 1 1 373.522 3.138 40 0 FGABMO COC[C@H]1CCC2(CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)[N@H+]1C ZINC000096207880 222077672 /nfs/dbraw/zinc/07/76/72/222077672.db2.gz FLONCDTVJJAPRP-CQSZACIVSA-N 1 1 354.853 3.195 40 0 FGABMO c1csc(CN2CCC[C@]3(CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)C2)n1 ZINC000096215725 222082345 /nfs/dbraw/zinc/08/23/45/222082345.db2.gz GRAWCLSPSHWNJL-FQEVSTJZSA-N 1 1 371.506 3.360 40 0 FGABMO C[NH+]1CCN(C(=S)N(C(=O)c2cccs2)C2CCCCC2)CC1 ZINC000031852184 493963231 /nfs/dbraw/zinc/96/32/31/493963231.db2.gz LHDVCMIDWUDFGX-UHFFFAOYSA-N 1 1 351.541 3.055 40 0 FGABMO CN1CCC([N@H+]2CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)C2)CC1 ZINC000035446696 494077608 /nfs/dbraw/zinc/07/76/08/494077608.db2.gz FSEWQFCCBYYDSS-LBPRGKRZSA-N 1 1 352.404 3.465 40 0 biogenic,in-vitro FGABMO CN1CCC([N@@H+]2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)CC1 ZINC000035446696 494077613 /nfs/dbraw/zinc/07/76/13/494077613.db2.gz FSEWQFCCBYYDSS-LBPRGKRZSA-N 1 1 352.404 3.465 40 0 biogenic,in-vitro FGABMO CN1CCC([N@H+]2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)CC1 ZINC000035446696 494077615 /nfs/dbraw/zinc/07/76/15/494077615.db2.gz FSEWQFCCBYYDSS-LBPRGKRZSA-N 1 1 352.404 3.465 40 0 biogenic,in-vitro FGABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](Cc4cccnc4)C3)nc2c1 ZINC000035446887 494078031 /nfs/dbraw/zinc/07/80/31/494078031.db2.gz AOXBCZPFMAASEZ-HNNXBMFYSA-N 1 1 371.462 3.006 40 0 biogenic,in-vitro FGABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@@H+](Cc4cccnc4)C3)nc2c1 ZINC000035446887 494078035 /nfs/dbraw/zinc/07/80/35/494078035.db2.gz AOXBCZPFMAASEZ-HNNXBMFYSA-N 1 1 371.462 3.006 40 0 biogenic,in-vitro FGABMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000038835961 494118945 /nfs/dbraw/zinc/11/89/45/494118945.db2.gz MQHKVLNBNAXHLJ-NRFANRHFSA-N 1 1 363.505 3.247 40 0 FGABMO COCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833036 494119108 /nfs/dbraw/zinc/11/91/08/494119108.db2.gz PARLAAFFLVEUAQ-CYBMUJFWSA-N 1 1 359.297 3.358 40 0 FGABMO COCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833036 494119112 /nfs/dbraw/zinc/11/91/12/494119112.db2.gz PARLAAFFLVEUAQ-CYBMUJFWSA-N 1 1 359.297 3.358 40 0 FGABMO COCCOc1ccc(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc1 ZINC000072343281 494154572 /nfs/dbraw/zinc/15/45/72/494154572.db2.gz HFJSOHIMRVEYOZ-RTWAWAEBSA-N 1 1 366.461 3.255 40 0 FGABMO COc1cc2c(cc1OC)[C@@H](C)[N@H+]([C@@H]1CCCN(C(=O)C(C)C)C1)CC2 ZINC000072342511 494154585 /nfs/dbraw/zinc/15/45/85/494154585.db2.gz BBANAOAFNNVANU-NVXWUHKLSA-N 1 1 360.498 3.270 40 0 FGABMO COCc1ccc(OC)c(C[N@@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1 ZINC000072343294 494155226 /nfs/dbraw/zinc/15/52/26/494155226.db2.gz FIPQWHFJBRGSRI-TZIWHRDSSA-N 1 1 366.461 3.385 40 0 FGABMO COCc1ccc(OC)c(C[N@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1 ZINC000072343294 494155231 /nfs/dbraw/zinc/15/52/31/494155231.db2.gz FIPQWHFJBRGSRI-TZIWHRDSSA-N 1 1 366.461 3.385 40 0 FGABMO CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H](Cc2ccccn2)C1 ZINC000072355077 494157388 /nfs/dbraw/zinc/15/73/88/494157388.db2.gz CAWJNYJIIGRYBG-SFHVURJKSA-N 1 1 357.885 3.258 40 0 FGABMO Cc1cc(Cc2ccccc2)cc([C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC000072356127 494157503 /nfs/dbraw/zinc/15/75/03/494157503.db2.gz VKFRMVCMLSYGKI-HXUWFJFHSA-N 1 1 351.494 3.248 40 0 FGABMO Cc1cc(Cc2ccccc2)cc([C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)n1 ZINC000072356127 494157506 /nfs/dbraw/zinc/15/75/06/494157506.db2.gz VKFRMVCMLSYGKI-HXUWFJFHSA-N 1 1 351.494 3.248 40 0 FGABMO CC(=O)NCc1cnc([C@@H]2CCC[N@H+]2C2CCOCC2)cc1C(F)(F)F ZINC000072356201 494157613 /nfs/dbraw/zinc/15/76/13/494157613.db2.gz INMCJLFTVDXKFY-KRWDZBQOSA-N 1 1 371.403 3.052 40 0 FGABMO CCCc1ncc(C[N@H+]2CCCC[C@H]3CN(C(=O)C4CCCC4)C[C@H]32)cn1 ZINC000072399156 494163806 /nfs/dbraw/zinc/16/38/06/494163806.db2.gz UIKSRZTVTDJOAX-VQTJNVASSA-N 1 1 370.541 3.432 40 0 FGABMO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@@H+](Cc3ccsc3)C[C@@H]12 ZINC000072395493 494163946 /nfs/dbraw/zinc/16/39/46/494163946.db2.gz URCYJRPUEDHPHO-XLIONFOSSA-N 1 1 354.475 3.297 40 0 FGABMO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@H+](Cc3ccsc3)C[C@@H]12 ZINC000072395493 494163950 /nfs/dbraw/zinc/16/39/50/494163950.db2.gz URCYJRPUEDHPHO-XLIONFOSSA-N 1 1 354.475 3.297 40 0 FGABMO Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc3c4ccccc4n(C)c3c1)CC2 ZINC000012117857 494206347 /nfs/dbraw/zinc/20/63/47/494206347.db2.gz XLCDFHWAMLZLPL-UHFFFAOYSA-N 1 1 358.445 3.282 40 0 FGABMO Cc1ccc([C@H](C)CC[N@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)o1 ZINC000012366426 494227826 /nfs/dbraw/zinc/22/78/26/494227826.db2.gz KVNQJJKUNQIILX-WTGRHJARSA-N 1 1 366.461 3.398 40 0 FGABMO Cc1ccc2c(c1)C[N@H+](C)C[C@]1(CCCN(C(=O)Cc3ccccc3)C1)O2 ZINC000012366370 494227944 /nfs/dbraw/zinc/22/79/44/494227944.db2.gz ZBIXAIJXPJBBFR-QHCPKHFHSA-N 1 1 364.489 3.423 40 0 FGABMO CCN1c2ncccc2C(=O)NC12CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000019528318 494447563 /nfs/dbraw/zinc/44/75/63/494447563.db2.gz KYLZHXKUNFALTD-UHFFFAOYSA-N 1 1 370.884 3.297 40 0 FGABMO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CC[N@H+](C2CCCC2)C1 ZINC000019703354 494455309 /nfs/dbraw/zinc/45/53/09/494455309.db2.gz BVGYMGMKUFTYOA-OAQYLSRUSA-N 1 1 353.466 3.265 40 0 FGABMO COc1cc(C[N@H+]2CC[C@H]3NC(=O)CCC[C@H]32)ccc1OC1CCCC1 ZINC000019713243 494456555 /nfs/dbraw/zinc/45/65/55/494456555.db2.gz CFAMIRXWKMPODI-QZTJIDSGSA-N 1 1 358.482 3.260 40 0 FGABMO CC[NH2+][C@H]1C[C@@H](c2ccccc2)OC2(CCN(Cc3ccnn3C)CC2)C1 ZINC000019712763 494456635 /nfs/dbraw/zinc/45/66/35/494456635.db2.gz VOPAJCRVVSEBEW-FPOVZHCZSA-N 1 1 368.525 3.285 40 0 FGABMO c1cncc(COC[C@]23CCCO[C@H]2CC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096040105 494997715 /nfs/dbraw/zinc/99/77/15/494997715.db2.gz PHLHKOLRWDDKET-LEWJYISDSA-N 1 1 353.466 3.065 40 0 FGABMO Fc1cccnc1OC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccncc1)C2 ZINC000096040477 494998242 /nfs/dbraw/zinc/99/82/42/494998242.db2.gz ZBWJZMOHNWESKS-AZUAARDMSA-N 1 1 357.429 3.066 40 0 FGABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)s1 ZINC000096048622 494999572 /nfs/dbraw/zinc/99/95/72/494999572.db2.gz HRQGMOZROLJSAI-FQEVSTJZSA-N 1 1 355.507 3.466 40 0 FGABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)s1 ZINC000096048659 495000050 /nfs/dbraw/zinc/00/00/50/495000050.db2.gz LFZSXTKAUDNGPH-HXUWFJFHSA-N 1 1 355.507 3.466 40 0 FGABMO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](OCc1cccc(C)n1)CS2 ZINC000247896696 496925931 /nfs/dbraw/zinc/92/59/31/496925931.db2.gz XMFBGCWJGNTKLJ-INIZCTEOSA-N 1 1 361.536 3.432 40 0 FGABMO COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[C@](O)(c3ncccc3C)[C@H]2C1 ZINC000247942432 496930126 /nfs/dbraw/zinc/93/01/26/496930126.db2.gz VITLRXRNPGWSJZ-LQBOVUBWSA-N 1 1 352.478 3.437 40 0 FGABMO CCn1cc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)c(C)n1 ZINC000248046944 496947546 /nfs/dbraw/zinc/94/75/46/496947546.db2.gz VUTKKGDZKVMGFB-ORYQWCPZSA-N 1 1 357.473 3.470 40 0 FGABMO Cc1ccccc1C(=O)N1CCC2(C[N@@H+](C)C[C@H]2COCC2CC2)CC1 ZINC000248081848 496952827 /nfs/dbraw/zinc/95/28/27/496952827.db2.gz QGFUIKNQZWBDPX-IBGZPJMESA-N 1 1 356.510 3.206 40 0 FGABMO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccnc3ccccc13)C2 ZINC000225480690 497064914 /nfs/dbraw/zinc/06/49/14/497064914.db2.gz WLZQONMVCYCMGS-JXFKEZNVSA-N 1 1 359.429 3.233 40 0 biogenic,in-vitro FGABMO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccnc3ccccc13)C2 ZINC000225480690 497064919 /nfs/dbraw/zinc/06/49/19/497064919.db2.gz WLZQONMVCYCMGS-JXFKEZNVSA-N 1 1 359.429 3.233 40 0 biogenic,in-vitro FGABMO Cc1ccsc1C[N@@H+]1CC[C@H](Cc2cnc(-c3nccn3C)cn2)C1 ZINC000585182454 507579927 /nfs/dbraw/zinc/57/99/27/507579927.db2.gz WVDONXQFJJNDGP-OAHLLOKOSA-N 1 1 353.495 3.312 40 0 FGABMO Cc1cc(OC[C@@]2(O)COCC[N@H+](C3CCCCCC3)C2)ccc1F ZINC000585282354 507584092 /nfs/dbraw/zinc/58/40/92/507584092.db2.gz IFDUJPADTFCKNJ-FQEVSTJZSA-N 1 1 351.462 3.299 40 0 FGABMO CCCC(CCC)[N@H+]1CC[C@H](O)[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284742 507584669 /nfs/dbraw/zinc/58/46/69/507584669.db2.gz ZOPKITCEXRGBPZ-PMACEKPBSA-N 1 1 353.478 3.279 40 0 FGABMO COc1ccccc1-c1cnc2n1C[C@]1(CC[N@@H+](Cc3ccccn3)C1)C2 ZINC000306143684 533913418 /nfs/dbraw/zinc/91/34/18/533913418.db2.gz YIXZZYWRJMQNTR-JOCHJYFZSA-N 1 1 360.461 3.402 40 0 FGABMO Cc1cccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4cccnc4)C2)OC3)c1 ZINC000306139916 534551023 /nfs/dbraw/zinc/55/10/23/534551023.db2.gz UDTBLUNWCHRVGU-QFIPXVFZSA-N 1 1 360.461 3.428 40 0 FGABMO Cc1cnc([C@@H]2CCCN(C(=O)CC[N@H+](C)Cc3cccnc3)C2)s1 ZINC000257282650 534627073 /nfs/dbraw/zinc/62/70/73/534627073.db2.gz OUQHXRGHNQEYJL-QGZVFWFLSA-N 1 1 358.511 3.075 40 0 FGABMO CCNc1nc(C)c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@H+]3C)s1 ZINC000257307197 528440781 /nfs/dbraw/zinc/44/07/81/528440781.db2.gz SXPHSYGCLKLUSW-ZTENYAIWSA-N 1 1 362.543 3.361 40 0 FGABMO CC(C)n1cnc([C@@H]2C[N@H+](C3CCC3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306129316 528619263 /nfs/dbraw/zinc/61/92/63/528619263.db2.gz IAMHDMGPRYUSLX-GHTZIAJQSA-N 1 1 356.514 3.044 40 0 FGABMO CC(C)[N@H+]1CCC[C@@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 ZINC000257220215 529018894 /nfs/dbraw/zinc/01/88/94/529018894.db2.gz DKAWXZRHHRMCQI-LJQANCHMSA-N 1 1 360.527 3.342 40 0 FGABMO CC(C)CC[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3cccnc3)ccc1C(=O)N2C ZINC000514290291 560029701 /nfs/dbraw/zinc/02/97/01/560029701.db2.gz XHGLXBYUBNHUCK-CTNGQTDRSA-N 1 1 365.477 3.312 40 0 biogenic,in-vitro FGABMO CN1CCN(Cc2ccoc2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306132386 529775085 /nfs/dbraw/zinc/77/50/85/529775085.db2.gz LHFDHYNZQZEDQJ-NRFANRHFSA-N 1 1 373.460 3.478 40 0 FGABMO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@H+](Cc4cscn4)C3)n2)n1 ZINC000257245759 223035886 /nfs/dbraw/zinc/03/58/86/223035886.db2.gz IQZDGMJEQNMYFP-AWEZNQCLSA-N 1 1 354.483 3.320 40 0 FGABMO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@@H+](Cc4cscn4)C3)n2)n1 ZINC000257245759 223035890 /nfs/dbraw/zinc/03/58/90/223035890.db2.gz IQZDGMJEQNMYFP-AWEZNQCLSA-N 1 1 354.483 3.320 40 0 FGABMO Cc1cnn(C)c1C[NH+]1CC2(C1)CO[C@@H]1c3ccccc3OC(C)(C)[C@H]1C2 ZINC000257252567 223038192 /nfs/dbraw/zinc/03/81/92/223038192.db2.gz JVFKGUDRZNISOO-FXAWDEMLSA-N 1 1 367.493 3.479 40 0 FGABMO Cc1nccc(C[N@H+]2CC[C@@H]3O[C@@](C)(COc4ccccc4)C[C@@H]3C2)n1 ZINC000257290331 223052245 /nfs/dbraw/zinc/05/22/45/223052245.db2.gz QCLNAZIPAYQBDN-JRGCBEDISA-N 1 1 353.466 3.234 40 0 FGABMO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@H+]2CC2CCOCC2)n1 ZINC000257309512 223060386 /nfs/dbraw/zinc/06/03/86/223060386.db2.gz UBFKMHOVHKGEPN-KRWDZBQOSA-N 1 1 368.485 3.191 40 0 FGABMO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)s1 ZINC000257342525 223072739 /nfs/dbraw/zinc/07/27/39/223072739.db2.gz ZPAVRAJWMJKLHH-HNNXBMFYSA-N 1 1 369.498 3.098 40 0 FGABMO c1ccc(C[N@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)nc1 ZINC000306127047 223106965 /nfs/dbraw/zinc/10/69/65/223106965.db2.gz FMNSYUGXZZRUTP-SFHVURJKSA-N 1 1 356.433 3.176 40 0 FGABMO Cc1cnc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4Cl)C3)o2)cn1 ZINC000019239189 220243304 /nfs/dbraw/zinc/24/33/04/220243304.db2.gz PVPICOALNLXFHR-CQSZACIVSA-N 1 1 355.829 3.478 40 0 FGABMO COc1ccc(C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)c(F)c1 ZINC000019237865 220243405 /nfs/dbraw/zinc/24/34/05/220243405.db2.gz RGWXIAMOUJLHSV-FYINFDKHSA-N 1 1 356.441 3.267 40 0 FGABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccn1 ZINC000019400445 220254994 /nfs/dbraw/zinc/25/49/94/220254994.db2.gz MAAKULUYKHYINJ-YLJYHZDGSA-N 1 1 350.466 3.070 40 0 FGABMO CCC[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)n1nc(C)cc1C ZINC000019501797 220263811 /nfs/dbraw/zinc/26/38/11/220263811.db2.gz ODAHPCGHNCTOJI-WOJBJXKFSA-N 1 1 354.498 3.356 40 0 FGABMO CCC[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)n1nc(C)cc1C ZINC000019501797 220263816 /nfs/dbraw/zinc/26/38/16/220263816.db2.gz ODAHPCGHNCTOJI-WOJBJXKFSA-N 1 1 354.498 3.356 40 0 FGABMO CCc1c(C)nc([C@H]2CCC[N@@H+](Cc3ccc(OC)c(OC)c3)C2)[nH]c1=O ZINC000019521549 220265310 /nfs/dbraw/zinc/26/53/10/220265310.db2.gz OJOJJJDUMUQRPN-INIZCTEOSA-N 1 1 371.481 3.038 40 0 FGABMO COc1cccc(Cn2cc(NC(=O)[C@@H]3CC[N@@H+]3C3CCCCC3)cn2)c1 ZINC000019714020 220288996 /nfs/dbraw/zinc/28/89/96/220288996.db2.gz FSCYKXXVILVNRS-FQEVSTJZSA-N 1 1 368.481 3.286 40 0 FGABMO COc1cccc(Cn2cc(NC(=O)[C@@H]3CC[N@H+]3C3CCCCC3)cn2)c1 ZINC000019714020 220289000 /nfs/dbraw/zinc/28/90/00/220289000.db2.gz FSCYKXXVILVNRS-FQEVSTJZSA-N 1 1 368.481 3.286 40 0 FGABMO O=C(Cc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276349 220991320 /nfs/dbraw/zinc/99/13/20/220991320.db2.gz MNOXTSVAOLOUQJ-UHFFFAOYSA-N 1 1 358.869 3.031 40 0 FGABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)s1 ZINC000096050251 132217510 /nfs/dbraw/zinc/21/75/10/132217510.db2.gz QHJPFFRHYHTUCB-HXUWFJFHSA-N 1 1 373.497 3.119 40 0 FGABMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)s1 ZINC000096050252 132217540 /nfs/dbraw/zinc/21/75/40/132217540.db2.gz QHJPFFRHYHTUCB-FQEVSTJZSA-N 1 1 373.497 3.119 40 0 FGABMO c1coc(C[N@H+]2C[C@@H]3CN(c4ncccn4)CC[C@]3(c3ccccc3)C2)c1 ZINC000247878628 132292071 /nfs/dbraw/zinc/29/20/71/132292071.db2.gz BHOFFDZNVARFKO-DENIHFKCSA-N 1 1 360.461 3.350 40 0 FGABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)s1 ZINC000096107736 222026156 /nfs/dbraw/zinc/02/61/56/222026156.db2.gz IGWGERXHMCTDNT-MJGOQNOKSA-N 1 1 351.512 3.233 40 0 FGABMO Cc1nc(CO[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2)cs1 ZINC000096107783 222026610 /nfs/dbraw/zinc/02/66/10/222026610.db2.gz WLNITLAHRCHDPK-SJORKVTESA-N 1 1 350.509 3.463 40 0 FGABMO CN(Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048055 222000266 /nfs/dbraw/zinc/00/02/66/222000266.db2.gz OUUVDMGXIQMNNV-NRFANRHFSA-N 1 1 369.484 3.476 40 0 FGABMO Cc1ccc(C(=O)N2CCOC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)o1 ZINC000096062411 222009391 /nfs/dbraw/zinc/00/93/91/222009391.db2.gz WBXDWWYOPBSOCQ-LJQANCHMSA-N 1 1 360.479 3.014 40 0 FGABMO Cc1ccccc1NC(=O)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259321 222103944 /nfs/dbraw/zinc/10/39/44/222103944.db2.gz LXTTVYBTXGMJIG-UHFFFAOYSA-N 1 1 353.470 3.225 40 0 FGABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@@H+](CC3CC3)C2)N1Cc1ccccc1 ZINC000096261917 222104771 /nfs/dbraw/zinc/10/47/71/222104771.db2.gz FVVUSFLYSWKBAN-NRFANRHFSA-N 1 1 368.502 3.202 40 0 FGABMO O=C(CCc1cccnc1)N1CCC2(C[NH+](Cc3ccccc3Cl)C2)C1 ZINC000096202451 222074928 /nfs/dbraw/zinc/07/49/28/222074928.db2.gz AAUMIANWGVPNDB-UHFFFAOYSA-N 1 1 369.896 3.402 40 0 FGABMO Cc1nc(CO[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)cs1 ZINC000096206970 222076774 /nfs/dbraw/zinc/07/67/74/222076774.db2.gz WFMFEJZCCKZYBF-MOPGFXCFSA-N 1 1 359.495 3.187 40 0 FGABMO C[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000096215986 222081277 /nfs/dbraw/zinc/08/12/77/222081277.db2.gz YZFBTSATAUNEKF-FCHUYYIVSA-N 1 1 351.494 3.052 40 0 FGABMO C[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000096215986 222081280 /nfs/dbraw/zinc/08/12/80/222081280.db2.gz YZFBTSATAUNEKF-FCHUYYIVSA-N 1 1 351.494 3.052 40 0 FGABMO CN1C[C@@H](COCc2cccnc2)[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096215986 222081283 /nfs/dbraw/zinc/08/12/83/222081283.db2.gz YZFBTSATAUNEKF-FCHUYYIVSA-N 1 1 351.494 3.052 40 0 FGABMO CN1C[C@@H](COCc2cccnc2)[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096215986 222081286 /nfs/dbraw/zinc/08/12/86/222081286.db2.gz YZFBTSATAUNEKF-FCHUYYIVSA-N 1 1 351.494 3.052 40 0 FGABMO C[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096216622 222081366 /nfs/dbraw/zinc/08/13/66/222081366.db2.gz XFBUEYJTABYDNP-AZUAARDMSA-N 1 1 357.523 3.114 40 0 FGABMO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000107228838 222392345 /nfs/dbraw/zinc/39/23/45/222392345.db2.gz USTHHVVYJDPNIW-VQIMIIECSA-N 1 1 358.511 3.106 40 0 FGABMO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[N@@H+](CCO)Cc1ccccc1 ZINC000006617318 493971282 /nfs/dbraw/zinc/97/12/82/493971282.db2.gz GLAIIEFQDDCTQE-GPQLQYNLSA-N 1 1 361.526 3.073 40 0 FGABMO COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@H](O)c2ccc3c(c2)CCC3)C1 ZINC000036741295 494097892 /nfs/dbraw/zinc/09/78/92/494097892.db2.gz WLTDFPCOGHSCOJ-GMAHTHKFSA-N 1 1 367.489 3.201 40 0 FGABMO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Br)cc2)cc1 ZINC000072228072 494145461 /nfs/dbraw/zinc/14/54/61/494145461.db2.gz YQYYBUXLQBGBFO-HZPDHXFCSA-N 1 1 361.239 3.263 40 0 FGABMO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccccn3)C2)c1 ZINC000072358621 494156702 /nfs/dbraw/zinc/15/67/02/494156702.db2.gz IURAIEUDTBBQFQ-SFHVURJKSA-N 1 1 373.460 3.017 40 0 FGABMO CCN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1 ZINC000072376826 494159291 /nfs/dbraw/zinc/15/92/91/494159291.db2.gz DFCUCUYWKVAMDW-SFHVURJKSA-N 1 1 367.497 3.121 40 0 FGABMO COc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+]2CC(=O)N2CCCCC2)c1 ZINC000072380263 494161234 /nfs/dbraw/zinc/16/12/34/494161234.db2.gz ZGKPDSDHGZPXOP-IBGZPJMESA-N 1 1 368.481 3.235 40 0 FGABMO COc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+]2CC(=O)N2CCCCC2)c1 ZINC000072380263 494161236 /nfs/dbraw/zinc/16/12/36/494161236.db2.gz ZGKPDSDHGZPXOP-IBGZPJMESA-N 1 1 368.481 3.235 40 0 FGABMO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@H]21 ZINC000072392531 494161714 /nfs/dbraw/zinc/16/17/14/494161714.db2.gz YBOVBXYDJIPRTJ-JQVVWYNYSA-N 1 1 350.462 3.055 40 0 FGABMO CC(C)[N@H+]1CC[C@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NCCO)C1 ZINC000072391133 494162165 /nfs/dbraw/zinc/16/21/65/494162165.db2.gz TZYSGWFJGPRMRT-HSZRJFAPSA-N 1 1 366.505 3.105 40 0 FGABMO O=c1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393050 494164001 /nfs/dbraw/zinc/16/40/01/494164001.db2.gz OENVYWXVSGMIOP-KRWDZBQOSA-N 1 1 364.424 3.351 40 0 FGABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c(OC)c1 ZINC000012134956 494207287 /nfs/dbraw/zinc/20/72/87/494207287.db2.gz VJFNQGAQVLEKEO-QIDMFYOTSA-N 1 1 368.477 3.219 40 0 FGABMO CCn1c(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)nc2ccccc21 ZINC000012221303 494215052 /nfs/dbraw/zinc/21/50/52/494215052.db2.gz HIQJVESEBJQOBH-JKSBSHDWSA-N 1 1 362.477 3.181 40 0 FGABMO CCOc1cc(C[N@@H+]2CCc3sccc3[C@H]2C)ccc1OCC(N)=O ZINC000012275580 494218968 /nfs/dbraw/zinc/21/89/68/494218968.db2.gz MEZYJCBAPXMSBM-CYBMUJFWSA-N 1 1 360.479 3.130 40 0 FGABMO CCOc1cc(C[N@H+]2CCc3sccc3[C@H]2C)ccc1OCC(N)=O ZINC000012275580 494218971 /nfs/dbraw/zinc/21/89/71/494218971.db2.gz MEZYJCBAPXMSBM-CYBMUJFWSA-N 1 1 360.479 3.130 40 0 FGABMO C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014400647 494317106 /nfs/dbraw/zinc/31/71/06/494317106.db2.gz ODFZGYZDMCOEGA-INIZCTEOSA-N 1 1 358.869 3.452 40 0 FGABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3N3CCCCC3)C2)cc(=O)[nH]1 ZINC000019285274 494439433 /nfs/dbraw/zinc/43/94/33/494439433.db2.gz HIPMLQZNNPVJGQ-KRWDZBQOSA-N 1 1 352.482 3.058 40 0 FGABMO Cc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019741462 494458279 /nfs/dbraw/zinc/45/82/79/494458279.db2.gz BXZKJHXMLDTZKT-QGZVFWFLSA-N 1 1 356.514 3.454 40 0 FGABMO Cc1ccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccccn4)CO3)CC2)o1 ZINC000096048051 494998942 /nfs/dbraw/zinc/99/89/42/494998942.db2.gz BSNWHPPWSAAKDD-LJQANCHMSA-N 1 1 355.482 3.239 40 0 FGABMO Cc1ccc(C[N@@H+]2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)s1 ZINC000096049117 495000193 /nfs/dbraw/zinc/00/01/93/495000193.db2.gz CELNSCJKXLOZTF-LJQANCHMSA-N 1 1 360.479 3.157 40 0 FGABMO Cc1ccc(C[N@H+]2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)s1 ZINC000096049117 495000195 /nfs/dbraw/zinc/00/01/95/495000195.db2.gz CELNSCJKXLOZTF-LJQANCHMSA-N 1 1 360.479 3.157 40 0 FGABMO CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000147706934 495577761 /nfs/dbraw/zinc/57/77/61/495577761.db2.gz BQWIMGOQKPLVQM-OAQYLSRUSA-N 1 1 352.478 3.497 40 0 FGABMO CC(C)n1cc(C[NH+]2CCC3(C[N@@H+](C)C[C@@H]3COCC3CC3)CC2)cn1 ZINC000248163023 496966377 /nfs/dbraw/zinc/96/63/77/496966377.db2.gz YNYXYIKMJOTZQA-HXUWFJFHSA-N 1 1 360.546 3.034 40 0 FGABMO CC(C)n1cc(CN2CCC3(C[N@H+](C)C[C@@H]3COCC3CC3)CC2)cn1 ZINC000248163023 496966384 /nfs/dbraw/zinc/96/63/84/496966384.db2.gz YNYXYIKMJOTZQA-HXUWFJFHSA-N 1 1 360.546 3.034 40 0 FGABMO CC(C)n1cc(CN2CCC3(C[N@@H+](C)C[C@@H]3COCC3CC3)CC2)cn1 ZINC000248163023 496966390 /nfs/dbraw/zinc/96/63/90/496966390.db2.gz YNYXYIKMJOTZQA-HXUWFJFHSA-N 1 1 360.546 3.034 40 0 FGABMO CSc1nnc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)s1 ZINC000222606518 497025781 /nfs/dbraw/zinc/02/57/81/497025781.db2.gz HOPDYDXDZLRHPN-LBPRGKRZSA-N 1 1 366.487 3.250 40 0 FGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc(Cl)ccc1OC ZINC000222896827 497029032 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C[C@@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccccc1)C2 ZINC000585105031 507570649 /nfs/dbraw/zinc/57/06/49/507570649.db2.gz YWLPSBFEKCPUKP-CVDCTZTESA-N 1 1 364.489 3.499 40 0 FGABMO O=C1C[C@@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1ccccc1)C2 ZINC000585104569 507570818 /nfs/dbraw/zinc/57/08/18/507570818.db2.gz QNTILDBIOUPZHH-OAQYLSRUSA-N 1 1 354.425 3.081 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2N1Cc1cccs1 ZINC000306134496 534853931 /nfs/dbraw/zinc/85/39/31/534853931.db2.gz NPGSTBPJRKXYEN-RBUKOAKNSA-N 1 1 364.474 3.026 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2N1Cc1cccs1 ZINC000306134496 534853936 /nfs/dbraw/zinc/85/39/36/534853936.db2.gz NPGSTBPJRKXYEN-RBUKOAKNSA-N 1 1 364.474 3.026 40 0 FGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2N1Cc1cccs1 ZINC000306133807 534854003 /nfs/dbraw/zinc/85/40/03/534854003.db2.gz MWUIXRIZSUKCSK-MOPGFXCFSA-N 1 1 364.474 3.026 40 0 FGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2N1Cc1cccs1 ZINC000306133807 534854005 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c1cc(C[N@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)ccn1 ZINC000306128783 223108779 /nfs/dbraw/zinc/10/87/79/223108779.db2.gz HKGSRXPVUUJLOE-IBGZPJMESA-N 1 1 356.433 3.176 40 0 FGABMO COc1ccc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4cccnc4)C[C@H]2C3)cc1 ZINC000306142753 223114873 /nfs/dbraw/zinc/11/48/73/223114873.db2.gz XIJXTRFPPCNVSN-MOPGFXCFSA-N 1 1 360.461 3.258 40 0 FGABMO CCCCn1nc(C)c2c1nc(C)cc2C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000017075780 220205855 /nfs/dbraw/zinc/20/58/55/220205855.db2.gz NUCVUUILXNRQHW-ALOPSCKCSA-N 1 1 369.513 3.203 40 0 FGABMO O=C(NC1CC1)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019292913 220245515 /nfs/dbraw/zinc/24/55/15/220245515.db2.gz GZIMQZMYMWBDNY-ZDUSSCGKSA-N 1 1 361.392 3.225 40 0 FGABMO O=C(NC1CC1)c1cc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019292913 220245521 /nfs/dbraw/zinc/24/55/21/220245521.db2.gz GZIMQZMYMWBDNY-ZDUSSCGKSA-N 1 1 361.392 3.225 40 0 FGABMO NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019348481 220251218 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355.482 3.463 40 0 FGABMO COc1ccc(OCC2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)cc1 ZINC000019454352 220258323 /nfs/dbraw/zinc/25/83/23/220258323.db2.gz SJULLUNWOXYLPJ-UHFFFAOYSA-N 1 1 371.481 3.333 40 0 FGABMO CCOc1ccccc1C[N@H+]1CCC[C@H](c2cc(N)n3nc(C)cc3n2)C1 ZINC000019520176 220266546 /nfs/dbraw/zinc/26/65/46/220266546.db2.gz XNIAJWKRFYIBOY-INIZCTEOSA-N 1 1 365.481 3.398 40 0 FGABMO COc1ccc2c(c1)O[C@]1(CCC[N@@H+](CC3CCCCC3)C1)CNC2=O ZINC000019562889 220272931 /nfs/dbraw/zinc/27/29/31/220272931.db2.gz JNYREQRAJMJDIY-OAQYLSRUSA-N 1 1 358.482 3.232 40 0 FGABMO COc1cccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)c1OC ZINC000019567712 220273575 /nfs/dbraw/zinc/27/35/75/220273575.db2.gz BZRSURDFVIIJIL-JOCHJYFZSA-N 1 1 366.461 3.025 40 0 FGABMO COc1ccc2c(c1)C(=O)NC[C@H]([C@H]1CCC[N@@H+](Cc3ccccc3)C1)O2 ZINC000019562126 220274710 /nfs/dbraw/zinc/27/47/10/220274710.db2.gz WBKXQMHJBQCHOG-LAUBAEHRSA-N 1 1 366.461 3.098 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nn(C)c4nccnc34)C2)c(C)c1C ZINC000019577353 220276590 /nfs/dbraw/zinc/27/65/90/220276590.db2.gz NPCNGCRNOMEWNP-QGZVFWFLSA-N 1 1 365.481 3.368 40 0 FGABMO C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3C[C@@H]3CCOC3)cc2N1 ZINC000019574847 220276420 /nfs/dbraw/zinc/27/64/20/220276420.db2.gz QSXDIHZYCFTLOZ-PAPYEOQZSA-N 1 1 358.408 3.364 40 0 FGABMO COc1c(C[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c(C)nn1C ZINC000019654488 220280051 /nfs/dbraw/zinc/28/00/51/220280051.db2.gz BTGDAQSNBSBHKP-OAHLLOKOSA-N 1 1 353.470 3.068 40 0 FGABMO O=C([C@H](c1ccccc1)N1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000019659666 220282862 /nfs/dbraw/zinc/28/28/62/220282862.db2.gz YDLSLTVBMWCJDC-NRFANRHFSA-N 1 1 355.526 3.300 40 0 FGABMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(N3CCOCC3)s2)cc1 ZINC000019715696 220290198 /nfs/dbraw/zinc/29/01/98/220290198.db2.gz RXXDIPVOYMXTHO-SFHVURJKSA-N 1 1 359.495 3.325 40 0 FGABMO Cc1ncsc1C[N@H+]1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 ZINC000096107308 222026655 /nfs/dbraw/zinc/02/66/55/222026655.db2.gz DDKJPRPSNWADQS-MJGOQNOKSA-N 1 1 359.495 3.187 40 0 FGABMO COc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](CN(C)Cc4ccco4)[C@H]3C2)cc1 ZINC000096056298 222004219 /nfs/dbraw/zinc/00/42/19/222004219.db2.gz DTBXODZYNNSTON-YUXAGFNASA-N 1 1 370.493 3.257 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@H]3CO[C@H](CN(C)Cc4ccco4)[C@H]3C2)cc1 ZINC000096056298 222004223 /nfs/dbraw/zinc/00/42/23/222004223.db2.gz DTBXODZYNNSTON-YUXAGFNASA-N 1 1 370.493 3.257 40 0 FGABMO CCOC(=O)[C@@]12C[N@@H+](CC(C)C)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096055926 222004503 /nfs/dbraw/zinc/00/45/03/222004503.db2.gz SEGQCQOWCKEPCO-ICSRJNTNSA-N 1 1 364.555 3.481 40 0 FGABMO Fc1ccccc1C[N@H+]1CC[C@@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096080344 222016740 /nfs/dbraw/zinc/01/67/40/222016740.db2.gz MWXNNFWRVRZDAQ-OAQYLSRUSA-N 1 1 368.456 3.112 40 0 FGABMO Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(S(=O)(=O)c2ccccc2)C3)o1 ZINC000096203090 222074945 /nfs/dbraw/zinc/07/49/45/222074945.db2.gz BXFNTASPYBLHDX-IBGZPJMESA-N 1 1 360.479 3.017 40 0 FGABMO Cc1ccc(C[N@H+]2CCC[C@@]23CCN(S(=O)(=O)c2ccccc2)C3)o1 ZINC000096203090 222074950 /nfs/dbraw/zinc/07/49/50/222074950.db2.gz BXFNTASPYBLHDX-IBGZPJMESA-N 1 1 360.479 3.017 40 0 FGABMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ccccn4)C3)C2)c1 ZINC000096215635 222080595 /nfs/dbraw/zinc/08/05/95/222080595.db2.gz IMCFYVIVQKZEHD-JOCHJYFZSA-N 1 1 365.477 3.219 40 0 FGABMO O=C(CO[C@@H]1CC[N@H+](C2CCC2)C[C@@H]1Cc1ccccc1)N1CCCC1 ZINC000096217301 222082639 /nfs/dbraw/zinc/08/26/39/222082639.db2.gz ABPDYNWBEKCWTA-PZJWPPBQSA-N 1 1 356.510 3.111 40 0 FGABMO CCn1nc(C)c(C[N@H+](CCCN2CCOCC2)Cc2ccc(C)o2)c1C ZINC000012186767 263369794 /nfs/dbraw/zinc/36/97/94/263369794.db2.gz WRQUATGAWGVTOA-UHFFFAOYSA-N 1 1 374.529 3.146 40 0 FGABMO CCn1nc(C)c(C[N@@H+](CCCN2CCOCC2)Cc2ccc(C)o2)c1C ZINC000012186767 263369798 /nfs/dbraw/zinc/36/97/98/263369798.db2.gz WRQUATGAWGVTOA-UHFFFAOYSA-N 1 1 374.529 3.146 40 0 FGABMO CCn1nc(C)c(CN(CCC[NH+]2CCOCC2)Cc2ccc(C)o2)c1C ZINC000012186767 263369801 /nfs/dbraw/zinc/36/98/01/263369801.db2.gz WRQUATGAWGVTOA-UHFFFAOYSA-N 1 1 374.529 3.146 40 0 FGABMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(Br)c1 ZINC000005671011 493939685 /nfs/dbraw/zinc/93/96/85/493939685.db2.gz KBULQBFCVZUFBT-GDBMZVCRSA-N 1 1 351.288 3.443 40 0 FGABMO CCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](CC)CC2)c(Cl)c1 ZINC000005642811 493938049 /nfs/dbraw/zinc/93/80/49/493938049.db2.gz PQCWBTIWQWEYMU-UHFFFAOYSA-N 1 1 368.934 3.095 40 0 FGABMO COc1ccc(CCNC(=O)C[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000005720770 493940128 /nfs/dbraw/zinc/94/01/28/493940128.db2.gz LAWMEIHZZNVQFV-QZTJIDSGSA-N 1 1 360.498 3.017 40 0 FGABMO COc1ccc(C[N@@H+](C)C[C@@H](O)COCC2=CC[C@@H]3C[C@H]2C3(C)C)cc1 ZINC000007063399 493998937 /nfs/dbraw/zinc/99/89/37/493998937.db2.gz LXVDMUCOTJZXFF-SFHLNBCPSA-N 1 1 359.510 3.497 40 0 FGABMO C[NH+](C)CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000038422863 494113680 /nfs/dbraw/zinc/11/36/80/494113680.db2.gz FEHLRRYHDHIJLF-UHFFFAOYSA-N 1 1 357.479 3.379 40 0 FGABMO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N(C)C)[nH+]c2C)cc1 ZINC000072218750 494145167 /nfs/dbraw/zinc/14/51/67/494145167.db2.gz IVYLZIWPFKXJLR-SFHVURJKSA-N 1 1 359.495 3.290 40 0 FGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4cc(F)ccc4F)C3)cc(N)n2n1 ZINC000072339787 494153797 /nfs/dbraw/zinc/15/37/97/494153797.db2.gz QYVLARWLGQRONQ-CYBMUJFWSA-N 1 1 357.408 3.278 40 0 FGABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cccc(-c4cccc(CO)c4)n3)C2)cn1 ZINC000072349969 494156384 /nfs/dbraw/zinc/15/63/84/494156384.db2.gz HEFLSTRRWUVUKL-HXUWFJFHSA-N 1 1 362.477 3.354 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377441 494159511 /nfs/dbraw/zinc/15/95/11/494159511.db2.gz FAQISDHPJNTDTR-SFHVURJKSA-N 1 1 362.437 3.356 40 0 FGABMO FC(F)(F)c1cc([C@@H]2CCC[NH2+]2)nc2n[nH]c(NCc3ccccn3)c21 ZINC000072380746 494161250 /nfs/dbraw/zinc/16/12/50/494161250.db2.gz ACPKCVCLSCPHII-LBPRGKRZSA-N 1 1 362.359 3.408 40 0 FGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nnc(-c3ccc(C)s3)o2)C1 ZINC000072390098 494162407 /nfs/dbraw/zinc/16/24/07/494162407.db2.gz HZGJQNHVSRUWJH-CQSZACIVSA-N 1 1 362.499 3.154 40 0 FGABMO CC(=O)N1Cc2ccccc2O[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000012087203 494202431 /nfs/dbraw/zinc/20/24/31/494202431.db2.gz SDSVRXAXJVBQCC-JOCHJYFZSA-N 1 1 350.462 3.462 40 0 FGABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c(OC)c1 ZINC000012089063 494204039 /nfs/dbraw/zinc/20/40/39/494204039.db2.gz MOVJPCZSZRORGS-VSOVRNOCSA-N 1 1 368.477 3.219 40 0 FGABMO COc1ccc(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)cc1OC ZINC000012119130 494205889 /nfs/dbraw/zinc/20/58/89/494205889.db2.gz HYUKNMATNFBKKI-INIZCTEOSA-N 1 1 368.433 3.449 40 0 FGABMO O[C@@H](C[NH+]1CCC(O)(c2ccccc2F)CC1)c1ccc(F)c(F)c1 ZINC000012327733 494224452 /nfs/dbraw/zinc/22/44/52/494224452.db2.gz HWEBRXGFULNVDY-SFHVURJKSA-N 1 1 351.368 3.121 40 0 FGABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(OC)c(O)c1)Cc1ccccn1 ZINC000022912545 494542565 /nfs/dbraw/zinc/54/25/65/494542565.db2.gz GLBSPPUFVJFSNW-IBGZPJMESA-N 1 1 355.482 3.282 40 0 FGABMO CCn1ncc(C[N@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@H]3C2)c1C ZINC000247832804 496920460 /nfs/dbraw/zinc/92/04/60/496920460.db2.gz LXHRRDLKTCIKNR-NDXORKPFSA-N 1 1 357.473 3.470 40 0 FGABMO Cc1csc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)n1 ZINC000247947815 496931679 /nfs/dbraw/zinc/93/16/79/496931679.db2.gz IYIJXWXQHHTWGO-LPHOPBHVSA-N 1 1 359.495 3.297 40 0 FGABMO Cc1csc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)n1 ZINC000247947815 496931684 /nfs/dbraw/zinc/93/16/84/496931684.db2.gz IYIJXWXQHHTWGO-LPHOPBHVSA-N 1 1 359.495 3.297 40 0 FGABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1cccc(Cl)c1 ZINC000224149846 497047058 /nfs/dbraw/zinc/04/70/58/497047058.db2.gz UWCDBXBARYOHDE-UHFFFAOYSA-N 1 1 374.868 3.315 40 0 FGABMO O=C(COc1cccc2c1CCCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000224682334 497052310 /nfs/dbraw/zinc/05/23/10/497052310.db2.gz DTDSWGIWKPONJA-UHFFFAOYSA-N 1 1 364.489 3.289 40 0 FGABMO Cc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C ZINC000224753581 497053030 /nfs/dbraw/zinc/05/30/30/497053030.db2.gz JTYPHMWDPCNDGK-UHFFFAOYSA-N 1 1 366.505 3.385 40 0 FGABMO COc1ccc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000225727338 497072547 /nfs/dbraw/zinc/07/25/47/497072547.db2.gz NKNYGQSSWWINEY-GASCZTMLSA-N 1 1 365.543 3.358 40 0 FGABMO COc1ccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000225735881 497073821 /nfs/dbraw/zinc/07/38/21/497073821.db2.gz KTDZVZUJZBONQG-CQSZACIVSA-N 1 1 351.516 3.112 40 0 FGABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000225737297 497074279 /nfs/dbraw/zinc/07/42/79/497074279.db2.gz ABWLSKQSAUTCSL-MRXNPFEDSA-N 1 1 374.554 3.222 40 0 FGABMO COc1cccc(OC)c1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225900948 497078721 /nfs/dbraw/zinc/07/87/21/497078721.db2.gz AUCUMCUVONHNJO-GOSISDBHSA-N 1 1 368.477 3.232 40 0 FGABMO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)C[N@@H+](CCO)Cc1ccccc1 ZINC000226721443 497085695 /nfs/dbraw/zinc/08/56/95/497085695.db2.gz GLAIIEFQDDCTQE-ITTUMRLJSA-N 1 1 361.526 3.073 40 0 FGABMO Cn1ccnc1-c1cc(C[C@H]2CC[N@@H+](Cc3cccc4[nH]ccc43)C2)ncn1 ZINC000585182568 507580592 /nfs/dbraw/zinc/58/05/92/507580592.db2.gz SGKKVXPGRKCSIM-MRXNPFEDSA-N 1 1 372.476 3.423 40 0 FGABMO O[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000585270756 507582620 /nfs/dbraw/zinc/58/26/20/507582620.db2.gz QEOVCSOAQVYJQP-NRFANRHFSA-N 1 1 369.440 3.498 40 0 FGABMO O[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000585270756 507582624 /nfs/dbraw/zinc/58/26/24/507582624.db2.gz QEOVCSOAQVYJQP-NRFANRHFSA-N 1 1 369.440 3.498 40 0 FGABMO O[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000585270756 507582632 /nfs/dbraw/zinc/58/26/32/507582632.db2.gz QEOVCSOAQVYJQP-NRFANRHFSA-N 1 1 369.440 3.498 40 0 FGABMO Fc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4cccnc4)C2)OC3)c1 ZINC000306123947 534512832 /nfs/dbraw/zinc/51/28/32/534512832.db2.gz BBEBWAYOXMRRCW-OAQYLSRUSA-N 1 1 364.424 3.259 40 0 FGABMO c1csc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 ZINC000306143618 534519092 /nfs/dbraw/zinc/51/90/92/534519092.db2.gz YGWUSNSHVIEGNM-MRXNPFEDSA-N 1 1 362.462 3.237 40 0 FGABMO c1csc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 ZINC000306143618 534519098 /nfs/dbraw/zinc/51/90/98/534519098.db2.gz YGWUSNSHVIEGNM-MRXNPFEDSA-N 1 1 362.462 3.237 40 0 FGABMO C[C@@H]1C[N@@H+](C[C@H](Cc2ccccc2)C(N)=O)CC[C@]1(C)c1cccc(O)c1 ZINC000390823265 524974235 /nfs/dbraw/zinc/97/42/35/524974235.db2.gz XIXMDCGNWYDFMB-FHJLPGHOSA-N 1 1 366.505 3.336 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306123517 534854146 /nfs/dbraw/zinc/85/41/46/534854146.db2.gz APEIVMPYLXYQIH-PMACEKPBSA-N 1 1 365.408 3.302 40 0 FGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccco3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306123517 534854147 /nfs/dbraw/zinc/85/41/47/534854147.db2.gz APEIVMPYLXYQIH-PMACEKPBSA-N 1 1 365.408 3.302 40 0 FGABMO Cc1cc(-c2nccn2C)nc([C@@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000257215562 223023936 /nfs/dbraw/zinc/02/39/36/223023936.db2.gz CQRJLXBLRVYEPT-CQSZACIVSA-N 1 1 354.483 3.022 40 0 FGABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000019081804 220235273 /nfs/dbraw/zinc/23/52/73/220235273.db2.gz ACSOWUPGCPNIGC-JENIJYKNSA-N 1 1 359.514 3.034 40 0 FGABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4cc(F)cc(F)c4)C3)cc(N)n2n1 ZINC000019129201 220238145 /nfs/dbraw/zinc/23/81/45/220238145.db2.gz SHIHVLQPMNESHV-AWEZNQCLSA-N 1 1 357.408 3.278 40 0 FGABMO Fc1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1F ZINC000019292929 220247328 /nfs/dbraw/zinc/24/73/28/220247328.db2.gz ICNRSURGFCJITQ-ZDUSSCGKSA-N 1 1 357.364 3.184 40 0 FGABMO c1cnc2ccc(C[N@@H+]3CCC[C@H]3c3nnc(-c4cnccn4)o3)cc2c1 ZINC000019347039 220251721 /nfs/dbraw/zinc/25/17/21/220251721.db2.gz GGCCOYVKBMUITM-SFHVURJKSA-N 1 1 358.405 3.412 40 0 FGABMO c1cnc2ccc(C[N@H+]3CCC[C@H]3c3nnc(-c4cnccn4)o3)cc2c1 ZINC000019347039 220251725 /nfs/dbraw/zinc/25/17/25/220251725.db2.gz GGCCOYVKBMUITM-SFHVURJKSA-N 1 1 358.405 3.412 40 0 FGABMO c1ccc(C[C@@H]2C[N@H+]3CCC[C@H]3CN2Cc2[nH]nnc2-c2ccccc2)cc1 ZINC000019372752 220252743 /nfs/dbraw/zinc/25/27/43/220252743.db2.gz ZWJDBHDRBSPPLE-LEWJYISDSA-N 1 1 373.504 3.363 40 0 FGABMO c1ccc(C[C@@H]2C[N@@H+]3CCC[C@H]3CN2Cc2n[nH]nc2-c2ccccc2)cc1 ZINC000019372752 220252748 /nfs/dbraw/zinc/25/27/48/220252748.db2.gz ZWJDBHDRBSPPLE-LEWJYISDSA-N 1 1 373.504 3.363 40 0 FGABMO c1ccc(C[C@@H]2C[N@H+]3CCC[C@H]3CN2Cc2n[nH]nc2-c2ccccc2)cc1 ZINC000019372752 220252753 /nfs/dbraw/zinc/25/27/53/220252753.db2.gz ZWJDBHDRBSPPLE-LEWJYISDSA-N 1 1 373.504 3.363 40 0 FGABMO CC(C)C[C@H](c1nnnn1C(C)(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019446785 220258444 /nfs/dbraw/zinc/25/84/44/220258444.db2.gz YKNXQXREOPBJMI-LJQANCHMSA-N 1 1 370.545 3.333 40 0 FGABMO CCCCn1nc(C)c(C[N@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)c1C ZINC000019502409 220263903 /nfs/dbraw/zinc/26/39/03/220263903.db2.gz LIXASGRFIQXIJR-UHFFFAOYSA-N 1 1 371.529 3.108 40 0 FGABMO CNc1cc(CC2CCN(C(=O)CCc3ccccc3)CC2)[nH+]c(C)n1 ZINC000019758741 220294657 /nfs/dbraw/zinc/29/46/57/220294657.db2.gz FFABTKQVOQMOHO-UHFFFAOYSA-N 1 1 352.482 3.241 40 0 FGABMO CN1CCC([N@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)CC1 ZINC000049169763 221020135 /nfs/dbraw/zinc/02/01/35/221020135.db2.gz RGTUGISRLXOOQI-HNNXBMFYSA-N 1 1 365.481 3.025 40 0 biogenic,in-vitro FGABMO C[NH+]1CCC(N2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)CC1 ZINC000049169763 221020136 /nfs/dbraw/zinc/02/01/36/221020136.db2.gz RGTUGISRLXOOQI-HNNXBMFYSA-N 1 1 365.481 3.025 40 0 biogenic,in-vitro FGABMO CC(=O)Nc1ccc(C[NH2+]C2(Cc3cc(C(C)(C)C)on3)COC2)cc1 ZINC000067897851 221303137 /nfs/dbraw/zinc/30/31/37/221303137.db2.gz UCWUHQDQWFOVBQ-UHFFFAOYSA-N 1 1 357.454 3.032 40 0 biogenic,in-vitro FGABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](C)C4)nn3c2)c1OC ZINC000306134120 533371124 /nfs/dbraw/zinc/37/11/24/533371124.db2.gz NDXBGJLOJVZUEA-OAHLLOKOSA-N 1 1 352.438 3.223 40 0 FGABMO c1coc(C[N@H+]2C[C@H]3CN(c4ncccn4)CC[C@]3(c3ccccc3)C2)c1 ZINC000096083307 132218570 /nfs/dbraw/zinc/21/85/70/132218570.db2.gz BHOFFDZNVARFKO-SIKLNZKXSA-N 1 1 360.461 3.350 40 0 FGABMO Cc1cccc(N2CCc3nc(N4CCCC4)nc(NC(C)C)c3C2)[nH+]1 ZINC000096083705 132218792 /nfs/dbraw/zinc/21/87/92/132218792.db2.gz MIHGHMDKBUBAKV-UHFFFAOYSA-N 1 1 352.486 3.163 40 0 FGABMO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCC(C)CC4)CC[C@H]32)s1 ZINC000096057539 222005263 /nfs/dbraw/zinc/00/52/63/222005263.db2.gz UIQOMTGXKWRFEH-GUDVDZBRSA-N 1 1 362.539 3.437 40 0 FGABMO CC(C)Nc1nc2c(cc1C(=O)N(C)C)CC[N@@H+](Cc1ccccc1)CC2 ZINC000096260431 222102973 /nfs/dbraw/zinc/10/29/73/222102973.db2.gz HOZHCPYGQALDHC-UHFFFAOYSA-N 1 1 366.509 3.205 40 0 FGABMO c1csc(C[N@@H+]2CCC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)c1 ZINC000096207993 222078524 /nfs/dbraw/zinc/07/85/24/222078524.db2.gz NIDYRTVIRQRXRG-MJGOQNOKSA-N 1 1 351.512 3.315 40 0 FGABMO c1ccc(OCC[N@H+]2CCC[C@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC000096216292 222081443 /nfs/dbraw/zinc/08/14/43/222081443.db2.gz ZPLOXTOUWXKXDZ-QFIPXVFZSA-N 1 1 351.494 3.449 40 0 FGABMO c1ccc(OCCN2CCC[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC000096216292 222081447 /nfs/dbraw/zinc/08/14/47/222081447.db2.gz ZPLOXTOUWXKXDZ-QFIPXVFZSA-N 1 1 351.494 3.449 40 0 FGABMO c1ccc(OCCN2CCC[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC000096216292 222081450 /nfs/dbraw/zinc/08/14/50/222081450.db2.gz ZPLOXTOUWXKXDZ-QFIPXVFZSA-N 1 1 351.494 3.449 40 0 FGABMO O=C(C1=CCCC1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC000096217662 222082817 /nfs/dbraw/zinc/08/28/17/222082817.db2.gz FTERTRZUUCOPNI-RBBKRZOGSA-N 1 1 358.526 3.084 40 0 FGABMO C[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096220453 222083142 /nfs/dbraw/zinc/08/31/42/222083142.db2.gz USACSPZLWATONC-FXAWDEMLSA-N 1 1 357.523 3.114 40 0 FGABMO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](N(C)Cc4ccccn4)CO3)C2)s1 ZINC000107226808 222392288 /nfs/dbraw/zinc/39/22/88/222392288.db2.gz VPRXMYIKZUOSJM-QUCCMNQESA-N 1 1 357.523 3.317 40 0 FGABMO C[NH+]1CCN(c2nc3c(c(-c4ccc(F)cc4)n2)C(=O)c2ccccc2-3)CC1 ZINC000017076587 263372162 /nfs/dbraw/zinc/37/21/62/263372162.db2.gz BWFJIHBGBKMPMV-UHFFFAOYSA-N 1 1 374.419 3.246 40 0 FGABMO NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030946254 493914475 /nfs/dbraw/zinc/91/44/75/493914475.db2.gz DYWVRAKOMCKWOJ-OAHLLOKOSA-N 1 1 371.868 3.290 40 0 FGABMO NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030946256 493914756 /nfs/dbraw/zinc/91/47/56/493914756.db2.gz DYWVRAKOMCKWOJ-HNNXBMFYSA-N 1 1 371.868 3.290 40 0 FGABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3CC(C)(C)C)n2)c1 ZINC000035425092 494076267 /nfs/dbraw/zinc/07/62/67/494076267.db2.gz KWADWTSQKBBZFY-INIZCTEOSA-N 1 1 360.458 3.340 40 0 biogenic,in-vitro FGABMO Cc1ccccc1C[N@H+]1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 ZINC000085436186 494125174 /nfs/dbraw/zinc/12/51/74/494125174.db2.gz JXLXJXGWGFWPJY-HXUWFJFHSA-N 1 1 353.441 3.256 40 0 biogenic,in-vitro FGABMO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[N@@H+](CCO)Cc1ccccc1)C2 ZINC000009970713 494138197 /nfs/dbraw/zinc/13/81/97/494138197.db2.gz NWYPYGCCRUVMTM-GPQLQYNLSA-N 1 1 361.526 3.073 40 0 FGABMO Cc1[nH+]c(N2CCOCC2)ccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072219633 494145131 /nfs/dbraw/zinc/14/51/31/494145131.db2.gz FNCVDFPUUHIRMJ-LJQANCHMSA-N 1 1 351.450 3.204 40 0 FGABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000072227798 494145959 /nfs/dbraw/zinc/14/59/59/494145959.db2.gz BPKQLIPHWBVFDB-LSDHHAIUSA-N 1 1 351.189 3.137 40 0 FGABMO Cc1nc([C@@H]2CCCC[N@H+]2CCc2ccccc2)ncc1C(=O)N(C)C ZINC000072345461 494155025 /nfs/dbraw/zinc/15/50/25/494155025.db2.gz VUJQFRACVVKXCI-IBGZPJMESA-N 1 1 352.482 3.257 40 0 FGABMO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000072359058 494157268 /nfs/dbraw/zinc/15/72/68/494157268.db2.gz WNLDLYYYEDREKV-QGZVFWFLSA-N 1 1 363.465 3.265 40 0 FGABMO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000072376075 494159305 /nfs/dbraw/zinc/15/93/05/494159305.db2.gz QEGAJBZMBFCLON-MRXNPFEDSA-N 1 1 363.469 3.335 40 0 FGABMO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000072376075 494159310 /nfs/dbraw/zinc/15/93/10/494159310.db2.gz QEGAJBZMBFCLON-MRXNPFEDSA-N 1 1 363.469 3.335 40 0 FGABMO Nc1cc(-c2c[nH]nc2[C@@H]2CC[N@@H+](CCOCc3ccccc3)C2)ccn1 ZINC000072370834 494159780 /nfs/dbraw/zinc/15/97/80/494159780.db2.gz OGRUSMPENHMUHG-GOSISDBHSA-N 1 1 363.465 3.060 40 0 FGABMO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)cc1CO ZINC000072395183 494163103 /nfs/dbraw/zinc/16/31/03/494163103.db2.gz MKVYTTYLWLGTNR-VQTJNVASSA-N 1 1 363.461 3.294 40 0 FGABMO CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCC[N@@H+](Cc3ccccn3)C2)C1 ZINC000012133247 494207342 /nfs/dbraw/zinc/20/73/42/494207342.db2.gz LKBYRHMCIMERBY-QFIPXVFZSA-N 1 1 365.477 3.166 40 0 FGABMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000012147458 494209328 /nfs/dbraw/zinc/20/93/28/494209328.db2.gz VLKZUSFRWCCRDU-QGZVFWFLSA-N 1 1 352.482 3.226 40 0 FGABMO O=C(CCCSc1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000045162777 494402807 /nfs/dbraw/zinc/40/28/07/494402807.db2.gz RFHVSXQZASSHSI-UHFFFAOYSA-N 1 1 356.919 3.051 40 0 FGABMO Cc1cc(N2CCN(C)CC2)cc([C@H]2CCN(C(=O)C3CCCCC3)C2)[nH+]1 ZINC000019705395 494455968 /nfs/dbraw/zinc/45/59/68/494455968.db2.gz SXSJKDXSSGBFIT-IBGZPJMESA-N 1 1 370.541 3.038 40 0 FGABMO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023473182 494567848 /nfs/dbraw/zinc/56/78/48/494567848.db2.gz RTCVXESSJXCWCW-HXUWFJFHSA-N 1 1 374.912 3.206 40 0 FGABMO C[C@H]([NH3+])c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1 ZINC000091301794 494578474 /nfs/dbraw/zinc/57/84/74/494578474.db2.gz OVDOTYJKKSGNGE-YFKPBYRVSA-N 1 1 350.753 3.482 40 0 FGABMO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096047046 494998076 /nfs/dbraw/zinc/99/80/76/494998076.db2.gz WJQSWWSLLPZXDX-NRFANRHFSA-N 1 1 353.441 3.349 40 0 FGABMO CCC[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)n1nc(C)cc1C ZINC000248134855 496960029 /nfs/dbraw/zinc/96/00/29/496960029.db2.gz ODAHPCGHNCTOJI-PMACEKPBSA-N 1 1 354.498 3.356 40 0 FGABMO CCC[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)n1nc(C)cc1C ZINC000248134855 496960033 /nfs/dbraw/zinc/96/00/33/496960033.db2.gz ODAHPCGHNCTOJI-PMACEKPBSA-N 1 1 354.498 3.356 40 0 FGABMO c1ccc(C[N@H+]2C[C@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC000248135671 496960589 /nfs/dbraw/zinc/96/05/89/496960589.db2.gz ZPFGVAAOABTWTR-LADGPHEKSA-N 1 1 361.533 3.467 40 0 FGABMO c1ccc(CN2C[C@H]3C[N@@H+](C4CCN(Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC000248135671 496960593 /nfs/dbraw/zinc/96/05/93/496960593.db2.gz ZPFGVAAOABTWTR-LADGPHEKSA-N 1 1 361.533 3.467 40 0 FGABMO c1ccc(CN2C[C@H]3C[N@H+](C4CCN(Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC000248135671 496960600 /nfs/dbraw/zinc/96/06/00/496960600.db2.gz ZPFGVAAOABTWTR-LADGPHEKSA-N 1 1 361.533 3.467 40 0 FGABMO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000216253312 496988101 /nfs/dbraw/zinc/98/81/01/496988101.db2.gz QRRALXMPIIKLFU-INIZCTEOSA-N 1 1 356.919 3.049 40 0 FGABMO C[C@@H]1CCC[N@H+](C2CCN(Cc3cnc(N4CCC[C@H](C)C4)nc3)CC2)C1 ZINC000253603139 497345421 /nfs/dbraw/zinc/34/54/21/497345421.db2.gz BHMOFUVINGKZKI-MOPGFXCFSA-N 1 1 371.573 3.409 40 0 FGABMO Cn1cnc(C[N@H+]2CCC[C@H](Cc3cccc(Nc4ccccn4)n3)C2)c1 ZINC000257276140 497397599 /nfs/dbraw/zinc/39/75/99/497397599.db2.gz NSMMWMGXTDRRMW-QGZVFWFLSA-N 1 1 362.481 3.408 40 0 FGABMO Cc1ccsc1C[N@H+]1CCc2c(nc(N3CCCC[C@H]3C)[nH]c2=O)C1 ZINC000257328001 497404384 /nfs/dbraw/zinc/40/43/84/497404384.db2.gz XDSZXTUNTSQBRD-CQSZACIVSA-N 1 1 358.511 3.489 40 0 FGABMO Cc1ccsc1C[N@@H+]1CCc2c(nc(N3CCCC[C@H]3C)[nH]c2=O)C1 ZINC000257328001 497404388 /nfs/dbraw/zinc/40/43/88/497404388.db2.gz XDSZXTUNTSQBRD-CQSZACIVSA-N 1 1 358.511 3.489 40 0 FGABMO CC(C)C[N@H+]1CC[C@@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585102076 507567622 /nfs/dbraw/zinc/56/76/22/507567622.db2.gz QIMCHCZMGAOITE-QGZVFWFLSA-N 1 1 355.404 3.437 40 0 FGABMO Cc1ccc(C2(C(=O)N3CCC[C@]4(CC[N@H+]4C[C@@H]4CCCO4)C3)CC2)cc1 ZINC000585102052 507569163 /nfs/dbraw/zinc/56/91/63/507569163.db2.gz OPSRTHRDMXKSCO-UNMCSNQZSA-N 1 1 368.521 3.273 40 0 FGABMO Cc1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOc2cccnc2)no1 ZINC000585104719 507570108 /nfs/dbraw/zinc/57/01/08/507570108.db2.gz LMCOZZMBBBCDQL-QGZVFWFLSA-N 1 1 357.454 3.218 40 0 FGABMO Cc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4cccnc4)C2)OC3)cc1 ZINC000306128477 534197049 /nfs/dbraw/zinc/19/70/49/534197049.db2.gz HBFCMTMGYPKPJF-JOCHJYFZSA-N 1 1 360.461 3.428 40 0 FGABMO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccccn4)C2)OC3)cc1 ZINC000306125272 534453774 /nfs/dbraw/zinc/45/37/74/534453774.db2.gz CLCRNHWTWBDIKB-OAQYLSRUSA-N 1 1 364.424 3.259 40 0 FGABMO Cc1cccc(C[N@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 ZINC000306124242 534712110 /nfs/dbraw/zinc/71/21/10/534712110.db2.gz BKKCQDSPNFDOIA-IBGZPJMESA-N 1 1 370.460 3.484 40 0 FGABMO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1cccc(C(=O)Nc2nccs2)n1 ZINC000257235686 534853235 /nfs/dbraw/zinc/85/32/35/534853235.db2.gz GYXIAMFBMNJNMA-MRXNPFEDSA-N 1 1 368.466 3.159 40 0 FGABMO Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1c1cccc(C(=O)Nc2nccs2)n1 ZINC000257235686 534853239 /nfs/dbraw/zinc/85/32/39/534853239.db2.gz GYXIAMFBMNJNMA-MRXNPFEDSA-N 1 1 368.466 3.159 40 0 FGABMO Cc1n[nH]cc1C[N@@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000257330392 534855485 /nfs/dbraw/zinc/85/54/85/534855485.db2.gz XODZWUOEMACPQA-ZDUSSCGKSA-N 1 1 369.494 3.019 40 0 FGABMO CCc1cc(N2CCOCC2)nc(C2=CC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000072339569 536146184 /nfs/dbraw/zinc/14/61/84/536146184.db2.gz KTFCGBQLFUAHIU-UHFFFAOYSA-N 1 1 364.493 3.165 40 0 FGABMO CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC000514289211 560032927 /nfs/dbraw/zinc/03/29/27/560032927.db2.gz GEJOSUOQHROTKU-CTNGQTDRSA-N 1 1 363.461 3.208 40 0 biogenic,in-vitro FGABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1ccccc1 ZINC000224366000 570986712 /nfs/dbraw/zinc/98/67/12/570986712.db2.gz KGGFOWUZZUWXIB-UHFFFAOYSA-N 1 1 354.450 3.052 40 0 FGABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1cccc(C)c1 ZINC000224387530 570986907 /nfs/dbraw/zinc/98/69/07/570986907.db2.gz JHRLNNDTTPTWDC-UHFFFAOYSA-N 1 1 368.477 3.360 40 0 FGABMO C[NH+](C)Cc1cn(-c2ccccc2C(=O)NCCc2ccccc2F)cn1 ZINC000257224116 223026082 /nfs/dbraw/zinc/02/60/82/223026082.db2.gz FAKGMMAKMSAVGO-UHFFFAOYSA-N 1 1 366.440 3.046 40 0 FGABMO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257284052 223050079 /nfs/dbraw/zinc/05/00/79/223050079.db2.gz PBBOIBAUGAQCSB-GOSISDBHSA-N 1 1 374.488 3.185 40 0 FGABMO Cc1nc(C[N@@H+]2CCC[C@@H](c3cnc(Nc4cnccn4)cn3)C2)cs1 ZINC000257285810 223051542 /nfs/dbraw/zinc/05/15/42/223051542.db2.gz PIZLGDGNTIHPPD-CQSZACIVSA-N 1 1 367.482 3.155 40 0 FGABMO Cc1nc(C[N@H+]2CCC[C@@H](c3cnc(Nc4cnccn4)cn3)C2)cs1 ZINC000257285810 223051545 /nfs/dbraw/zinc/05/15/45/223051545.db2.gz PIZLGDGNTIHPPD-CQSZACIVSA-N 1 1 367.482 3.155 40 0 FGABMO Cc1nc(Nc2nccnc2C2CC[NH+](Cc3c[nH]cn3)CC2)sc1C ZINC000257338684 223070415 /nfs/dbraw/zinc/07/04/15/223070415.db2.gz YYMUOGAUJIWOCJ-UHFFFAOYSA-N 1 1 369.498 3.396 40 0 FGABMO CCCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3C[C@@H]4CCCC[C@@H]4C3)C2=O)cc1 ZINC000015084255 220146896 /nfs/dbraw/zinc/14/68/96/220146896.db2.gz SGNKJFGZXJBOKV-JTDSTZFVSA-N 1 1 356.466 3.229 40 0 FGABMO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)n2)cc1F ZINC000015674298 220159635 /nfs/dbraw/zinc/15/96/35/220159635.db2.gz WBZNZYKVWVPMHL-AEFFLSMTSA-N 1 1 353.397 3.492 40 0 biogenic,in-vitro FGABMO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)n2)cc1F ZINC000015674298 220159636 /nfs/dbraw/zinc/15/96/36/220159636.db2.gz WBZNZYKVWVPMHL-AEFFLSMTSA-N 1 1 353.397 3.492 40 0 biogenic,in-vitro FGABMO Cc1ccc(CN(CCC[NH+]2CCOCC2)Cc2cnc(C(C)C)nc2)o1 ZINC000019216455 220241012 /nfs/dbraw/zinc/24/10/12/220241012.db2.gz DPNJAOJHDBTRTG-UHFFFAOYSA-N 1 1 372.513 3.226 40 0 FGABMO CCc1ncc(C[N@@H+](Cc2ccc(OC)c(OC)c2)C[C@H]2CCCO2)cn1 ZINC000019523291 220266440 /nfs/dbraw/zinc/26/64/40/220266440.db2.gz ISMUGVMFUHPILJ-GOSISDBHSA-N 1 1 371.481 3.237 40 0 FGABMO CCc1ncc(C[N@H+](Cc2ccc(OC)c(OC)c2)C[C@H]2CCCO2)cn1 ZINC000019523291 220266444 /nfs/dbraw/zinc/26/64/44/220266444.db2.gz ISMUGVMFUHPILJ-GOSISDBHSA-N 1 1 371.481 3.237 40 0 FGABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Br)c1OC ZINC000022076090 220377386 /nfs/dbraw/zinc/37/73/86/220377386.db2.gz IYIHXGMASITNMG-UHFFFAOYSA-N 1 1 359.308 3.288 40 0 FGABMO CCCn1ncc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2Cc2ccccc2)c1C ZINC000043568687 220948044 /nfs/dbraw/zinc/94/80/44/220948044.db2.gz GNRKDDUBLFBBEB-FCHUYYIVSA-N 1 1 352.526 3.493 40 0 FGABMO c1ccc2c(c1)C[N@H+](Cc1cccnc1)CC21CCN(c2cnccn2)CC1 ZINC000096079547 132218617 /nfs/dbraw/zinc/21/86/17/132218617.db2.gz ILDXDEDYOXSVQP-UHFFFAOYSA-N 1 1 371.488 3.426 40 0 FGABMO CC1(C)CN(c2cc(NCCCO)nc(C3CC3)[nH+]2)Cc2ccccc21 ZINC000329068002 132373201 /nfs/dbraw/zinc/37/32/01/132373201.db2.gz YLWNBEBOPNGNGX-UHFFFAOYSA-N 1 1 352.482 3.446 40 0 FGABMO Cc1ccc(C[N@H+]2C[C@@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)s1 ZINC000096057736 222005392 /nfs/dbraw/zinc/00/53/92/222005392.db2.gz RDCRBCFHXUIXOJ-BMGDILEWSA-N 1 1 357.479 3.070 40 0 FGABMO COc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)cc1 ZINC000096055305 222006125 /nfs/dbraw/zinc/00/61/25/222006125.db2.gz JMFOOECWILSFBX-BAGYTPMASA-N 1 1 368.477 3.286 40 0 FGABMO COc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)cc1 ZINC000096055305 222006128 /nfs/dbraw/zinc/00/61/28/222006128.db2.gz JMFOOECWILSFBX-BAGYTPMASA-N 1 1 368.477 3.286 40 0 FGABMO COc1ccc(C[N@H+]2CC[C@]3(CC[C@H](C(=O)N4CCCC4)O3)[C@@H](C)C2)cc1 ZINC000096061318 222006592 /nfs/dbraw/zinc/00/65/92/222006592.db2.gz CTAAXVOODBLYKY-UCNVEGJOSA-N 1 1 372.509 3.077 40 0 FGABMO Cc1ccc(C[N@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)s1 ZINC000096059149 222007686 /nfs/dbraw/zinc/00/76/86/222007686.db2.gz GYNFTQIXHZHVJY-GOSISDBHSA-N 1 1 368.506 3.497 40 0 FGABMO Cc1ccc(C[N@@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)s1 ZINC000096059149 222007690 /nfs/dbraw/zinc/00/76/90/222007690.db2.gz GYNFTQIXHZHVJY-GOSISDBHSA-N 1 1 368.506 3.497 40 0 FGABMO Cc1nnc([C@@H]2C[C@H]3OCC[C@H]3[N@@H+](Cc3ccc4ccccc4n3)C2)o1 ZINC000096064976 222011140 /nfs/dbraw/zinc/01/11/40/222011140.db2.gz WPAKTELXEIIQTG-ATZDWAIDSA-N 1 1 350.422 3.073 40 0 FGABMO c1csc(C[N@@H+]2CCOC[C@]3(C[C@@H](CNc4ccccc4)CO3)C2)c1 ZINC000096078412 222013336 /nfs/dbraw/zinc/01/33/36/222013336.db2.gz HVBNDLXQJSLXKK-PXNSSMCTSA-N 1 1 358.507 3.468 40 0 FGABMO Cn1cc(CN[C@H]2CC3(CC[NH+](CC4CC4)CC3)c3ccccc32)cn1 ZINC000096079036 222015253 /nfs/dbraw/zinc/01/52/53/222015253.db2.gz UXOKDUQGSISWEQ-NRFANRHFSA-N 1 1 350.510 3.398 40 0 FGABMO c1nn(CC2CC2)c2c1C[N@@H+](Cc1ccncc1)C[C@@H]2COCC1CC1 ZINC000096198420 222073553 /nfs/dbraw/zinc/07/35/53/222073553.db2.gz UDWRDMXCFAHLOV-HXUWFJFHSA-N 1 1 352.482 3.214 40 0 FGABMO c1nn(CC2CC2)c2c1C[N@H+](Cc1ccncc1)C[C@@H]2COCC1CC1 ZINC000096198420 222073556 /nfs/dbraw/zinc/07/35/56/222073556.db2.gz UDWRDMXCFAHLOV-HXUWFJFHSA-N 1 1 352.482 3.214 40 0 FGABMO O=C(Cc1cccs1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCOCC1)C2 ZINC000096215435 222080069 /nfs/dbraw/zinc/08/00/69/222080069.db2.gz XNLPADIMVDBNEJ-FQEVSTJZSA-N 1 1 362.539 3.032 40 0 FGABMO c1ccc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000101150356 222263901 /nfs/dbraw/zinc/26/39/01/222263901.db2.gz SVLVBPZYBXWCGJ-JOCHJYFZSA-N 1 1 358.445 3.213 40 0 FGABMO O=C(C[NH+]1CCCC1)Nc1ccc2c(c1)[C@H]1Oc3ccccc3C[C@@H]1CO2 ZINC000001647767 493796612 /nfs/dbraw/zinc/79/66/12/493796612.db2.gz JTFHWXZWEXRSIO-ZHRRBRCNSA-N 1 1 364.445 3.406 40 0 FGABMO C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1c(F)cc(Br)cc1F ZINC000006007989 493948576 /nfs/dbraw/zinc/94/85/76/493948576.db2.gz JUCCUWNVDDWOLY-CMPLNLGQSA-N 1 1 364.230 3.341 40 0 FGABMO CC[NH+]1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000006325844 493959321 /nfs/dbraw/zinc/95/93/21/493959321.db2.gz MBARANULTBDSDE-CAPFRKAQSA-N 1 1 365.433 3.300 40 0 FGABMO Cc1ccc(S(=O)(=O)[C@@H](CC(=O)CC[NH+](C)C)c2ccccc2)cc1 ZINC000006522649 493965821 /nfs/dbraw/zinc/96/58/21/493965821.db2.gz IUYJYRVZSJTXLP-FQEVSTJZSA-N 1 1 359.491 3.421 40 0 FGABMO Cc1cc(C)cc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000008041211 494062635 /nfs/dbraw/zinc/06/26/35/494062635.db2.gz UMTUSDUXBBOJON-LJQANCHMSA-N 1 1 352.478 3.415 40 0 FGABMO COc1ccccc1[C@@]1(O)CCC[N@@H+](C[C@H](O)c2ccc(C)c(C)c2)C1 ZINC000036741284 494097276 /nfs/dbraw/zinc/09/72/76/494097276.db2.gz JTCGSYDFKVFFNL-RBBKRZOGSA-N 1 1 355.478 3.329 40 0 FGABMO Cc1ccc([C@H](C)[NH+]2CCN(C(=O)c3cc(C(C)C)nn3C)CC2)cc1 ZINC000036741149 494097772 /nfs/dbraw/zinc/09/77/72/494097772.db2.gz AJEUIWABDLKJHK-KRWDZBQOSA-N 1 1 354.498 3.371 40 0 FGABMO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038848884 494118786 /nfs/dbraw/zinc/11/87/86/494118786.db2.gz ATRAEAQJQRXOBN-SFHVURJKSA-N 1 1 356.441 3.363 40 0 FGABMO COCCCNC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833037 494118985 /nfs/dbraw/zinc/11/89/85/494118985.db2.gz PARLAAFFLVEUAQ-ZDUSSCGKSA-N 1 1 359.297 3.358 40 0 FGABMO COCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833037 494118988 /nfs/dbraw/zinc/11/89/88/494118988.db2.gz PARLAAFFLVEUAQ-ZDUSSCGKSA-N 1 1 359.297 3.358 40 0 FGABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000072227508 494145888 /nfs/dbraw/zinc/14/58/88/494145888.db2.gz MGHOOQFHKVRGPT-HZPDHXFCSA-N 1 1 366.339 3.138 40 0 FGABMO COCCOc1cccc(C[N@@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)c1 ZINC000072343296 494154542 /nfs/dbraw/zinc/15/45/42/494154542.db2.gz XATJFCRVNCOWKF-LEWJYISDSA-N 1 1 366.461 3.255 40 0 FGABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349526 494155907 /nfs/dbraw/zinc/15/59/07/494155907.db2.gz LEZLGUGRCZYHQJ-QGZVFWFLSA-N 1 1 355.457 3.079 40 0 FGABMO O=c1cc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392882 494161949 /nfs/dbraw/zinc/16/19/49/494161949.db2.gz HCGCSMCADAWSHO-KRWDZBQOSA-N 1 1 364.424 3.351 40 0 FGABMO Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CC[N@@H+](Cc3ccnn3C)C2)n1 ZINC000072384229 494162377 /nfs/dbraw/zinc/16/23/77/494162377.db2.gz OCPFCQMOJHOMKB-OAHLLOKOSA-N 1 1 367.428 3.439 40 0 FGABMO Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CC[N@H+](Cc3ccnn3C)C2)n1 ZINC000072384229 494162379 /nfs/dbraw/zinc/16/23/79/494162379.db2.gz OCPFCQMOJHOMKB-OAHLLOKOSA-N 1 1 367.428 3.439 40 0 FGABMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)nc2ccccc12 ZINC000072391745 494162585 /nfs/dbraw/zinc/16/25/85/494162585.db2.gz YWXAGOUICPOPDV-UHFFFAOYSA-N 1 1 360.461 3.286 40 0 FGABMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)nc2ccccc12 ZINC000072391745 494162589 /nfs/dbraw/zinc/16/25/89/494162589.db2.gz YWXAGOUICPOPDV-UHFFFAOYSA-N 1 1 360.461 3.286 40 0 FGABMO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+](Cc4cccc(C)n4)[C@H]3C2)cc1 ZINC000012144169 494208427 /nfs/dbraw/zinc/20/84/27/494208427.db2.gz OOOYMRKHPZABQB-NQIIRXRSSA-N 1 1 365.477 3.135 40 0 FGABMO C=Cn1ncc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)c1C ZINC000012187415 494211088 /nfs/dbraw/zinc/21/10/88/494211088.db2.gz NLHQBHVQXKGURY-GOSISDBHSA-N 1 1 355.438 3.202 40 0 FGABMO C=Cn1ncc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)c1C ZINC000012187415 494211093 /nfs/dbraw/zinc/21/10/93/494211093.db2.gz NLHQBHVQXKGURY-GOSISDBHSA-N 1 1 355.438 3.202 40 0 FGABMO CC[N@H+]1CCC[C@@H]1Cn1cnc2c(-c3ccc(OC)cc3)nsc2c1=O ZINC000012185475 494211521 /nfs/dbraw/zinc/21/15/21/494211521.db2.gz BLWFFDDQAGOAAH-CQSZACIVSA-N 1 1 370.478 3.013 40 0 FGABMO C=Cn1ncc(C[N@H+](Cc2ccc(OC)c(OC)c2)C[C@H]2CCCO2)c1C ZINC000012187356 494211754 /nfs/dbraw/zinc/21/17/54/494211754.db2.gz YZCWMOQAZDOLQU-LJQANCHMSA-N 1 1 371.481 3.490 40 0 FGABMO C=Cn1ncc(C[N@@H+](Cc2ccc(OC)c(OC)c2)C[C@H]2CCCO2)c1C ZINC000012187356 494211759 /nfs/dbraw/zinc/21/17/59/494211759.db2.gz YZCWMOQAZDOLQU-LJQANCHMSA-N 1 1 371.481 3.490 40 0 FGABMO COc1cc2c(cc1OC)[C@@H](c1ccncc1)[N@H+](CC1=CCCOC1)CC2 ZINC000012240839 494216939 /nfs/dbraw/zinc/21/69/39/494216939.db2.gz FLOLPHIXKYIYKJ-JOCHJYFZSA-N 1 1 366.461 3.393 40 0 FGABMO COc1cc2c(cc1OC)[C@@H](c1ccncc1)[N@@H+](CC1=CCCOC1)CC2 ZINC000012240839 494216942 /nfs/dbraw/zinc/21/69/42/494216942.db2.gz FLOLPHIXKYIYKJ-JOCHJYFZSA-N 1 1 366.461 3.393 40 0 FGABMO Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)c(C)c1 ZINC000019132404 494437190 /nfs/dbraw/zinc/43/71/90/494437190.db2.gz XOZNROPNZSVZIA-TZIWHRDSSA-N 1 1 358.526 3.451 40 0 FGABMO C[C@@H]1CCCN(c2ncc(CN3CCC([N@H+]4CCC[C@H](C)C4)CC3)cn2)C1 ZINC000019496654 494445786 /nfs/dbraw/zinc/44/57/86/494445786.db2.gz BHMOFUVINGKZKI-RBUKOAKNSA-N 1 1 371.573 3.409 40 0 FGABMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)cc1O ZINC000019559696 494450119 /nfs/dbraw/zinc/45/01/19/494450119.db2.gz DRWDJBPALHWASJ-RRMPHLOHSA-N 1 1 357.425 3.270 40 0 FGABMO Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cn(C)c4ccccc34)O2)o1 ZINC000096040917 494997981 /nfs/dbraw/zinc/99/79/81/494997981.db2.gz ZBJRQPADOUOIHK-QRVBRYPASA-N 1 1 352.438 3.364 40 0 FGABMO COCC[N@H+]1C[C@H]2CN(Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000247870872 496923784 /nfs/dbraw/zinc/92/37/84/496923784.db2.gz KTQCJPQBBIUQQF-GGAORHGYSA-N 1 1 365.521 3.112 40 0 FGABMO CC(C)C(=O)NCC[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000248169878 496968090 /nfs/dbraw/zinc/96/80/90/496968090.db2.gz RJLSFOYPHGEQSV-KRWDZBQOSA-N 1 1 365.481 3.084 40 0 FGABMO CC(C)C(=O)NCC[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2ccnn21 ZINC000248169878 496968093 /nfs/dbraw/zinc/96/80/93/496968093.db2.gz RJLSFOYPHGEQSV-KRWDZBQOSA-N 1 1 365.481 3.084 40 0 FGABMO CSc1nnc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)s1 ZINC000222606446 497025626 /nfs/dbraw/zinc/02/56/26/497025626.db2.gz HOPDYDXDZLRHPN-GFCCVEGCSA-N 1 1 366.487 3.250 40 0 FGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000225298258 497059681 /nfs/dbraw/zinc/05/96/81/497059681.db2.gz CSTBMJDVCJIYIH-UHFFFAOYSA-N 1 1 362.477 3.496 40 0 FGABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000225594654 497068655 /nfs/dbraw/zinc/06/86/55/497068655.db2.gz KMPKWIRUCDONEC-UHFFFAOYSA-N 1 1 359.426 3.107 40 0 FGABMO Cc1cc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)o1 ZINC000520803433 504586300 /nfs/dbraw/zinc/58/63/00/504586300.db2.gz AWXBJESYWMHIMD-FUHWJXTLSA-N 1 1 360.479 3.201 40 0 FGABMO O=C1CC[C@]2(CCC[N@@H+](CCc3ccccc3)CC2)N1C[C@H]1CCCO1 ZINC000585099812 507565842 /nfs/dbraw/zinc/56/58/42/507565842.db2.gz CGEUGGZNMXRPFY-IRLDBZIGSA-N 1 1 356.510 3.255 40 0 FGABMO O=C1N(CC2CCCCC2)C[C@]12CCC[N@@H+](Cc1cnc(Cl)cn1)C2 ZINC000585099647 507565992 /nfs/dbraw/zinc/56/59/92/507565992.db2.gz UQRZAPFAXDMRRC-LJQANCHMSA-N 1 1 362.905 3.135 40 0 FGABMO O=C1N(CC2CCCCC2)C[C@]12CCC[N@H+](Cc1cnc(Cl)cn1)C2 ZINC000585099647 507565998 /nfs/dbraw/zinc/56/59/98/507565998.db2.gz UQRZAPFAXDMRRC-LJQANCHMSA-N 1 1 362.905 3.135 40 0 FGABMO O=C(c1cnc2ccccn12)N1CC[C@@H]2[C@@H](C[N@H+]2CC2CCCCC2)C1 ZINC000585107973 507574590 /nfs/dbraw/zinc/57/45/90/507574590.db2.gz OLDYLVINEUJGNT-QZTJIDSGSA-N 1 1 352.482 3.061 40 0 FGABMO Cc1cc(Nc2ncccn2)nc([C@H]2CCCC[N@H+]2CC2CCOCC2)n1 ZINC000257287838 534004878 /nfs/dbraw/zinc/00/48/78/534004878.db2.gz PRRWOQHFBKWNCW-QGZVFWFLSA-N 1 1 368.485 3.272 40 0 FGABMO c1ccc(CC[N@@H+]2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1 ZINC000257239170 534486971 /nfs/dbraw/zinc/48/69/71/534486971.db2.gz HOEXUYAXZPOFFE-IBGZPJMESA-N 1 1 361.449 3.231 40 0 FGABMO c1ccc(CC[N@H+]2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1 ZINC000257239170 534486979 /nfs/dbraw/zinc/48/69/79/534486979.db2.gz HOEXUYAXZPOFFE-IBGZPJMESA-N 1 1 361.449 3.231 40 0 FGABMO Fc1cccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccncc4)C2)OC3)c1 ZINC000306140315 534513935 /nfs/dbraw/zinc/51/39/35/534513935.db2.gz UPONHGFWEDATPR-NRFANRHFSA-N 1 1 364.424 3.259 40 0 FGABMO COc1cc(CN2CC[NH+](Cc3ccccc3OC)CC2)cc(OC)c1 ZINC000019866652 522382428 /nfs/dbraw/zinc/38/24/28/522382428.db2.gz BLKBGSOEBSHNNT-UHFFFAOYSA-N 1 1 356.466 3.030 40 0 FGABMO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000020452642 524771931 /nfs/dbraw/zinc/77/19/31/524771931.db2.gz GHAMUOYYBYBVHA-IBGZPJMESA-N 1 1 352.478 3.415 40 0 FGABMO COc1ccc(O[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000020488890 524984872 /nfs/dbraw/zinc/98/48/72/524984872.db2.gz RYGOJYIOJLLWBB-OAHLLOKOSA-N 1 1 365.433 3.273 40 0 FGABMO CC(C)[N@H+]1CCC[C@@H](c2cccc(N3CC4(CCOCC4)OC3=O)n2)C1 ZINC000257277190 529019600 /nfs/dbraw/zinc/01/96/00/529019600.db2.gz NWULEIHBSHPWDL-MRXNPFEDSA-N 1 1 359.470 3.175 40 0 FGABMO