smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000004580421 204054066 /nfs/dbraw/zinc/05/40/66/204054066.db2.gz HNSNKMPSOKDMRK-ALCBUZAKSA-N 1 0 397.434 2.785 40 0 GFABRO O=C(C[NH+]1CCC(n2nnc3cc(F)ccc32)CC1)N1CCc2ccccc2C1 ZINC000004968214 204096964 /nfs/dbraw/zinc/09/69/64/204096964.db2.gz LOWOFPQQGLUHES-UHFFFAOYSA-N 1 0 393.466 2.792 40 0 GFABRO COc1ccc(C2CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000012113922 204372736 /nfs/dbraw/zinc/37/27/36/204372736.db2.gz VYBZUAXCXPVULF-UHFFFAOYSA-N 1 0 382.460 2.920 40 0 GFABRO C[NH+](C)[C@H](CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc2c(c1)OCO2 ZINC000012203749 204382010 /nfs/dbraw/zinc/38/20/10/204382010.db2.gz BBJZACQAJAKYRJ-DNVCBOLYSA-N 1 0 388.851 2.791 40 0 GFABRO COc1ccccc1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000012238263 204385887 /nfs/dbraw/zinc/38/58/87/204385887.db2.gz UWGJZPYYTPNJIE-GOSISDBHSA-N 1 0 381.476 2.711 40 0 GFABRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000036140816 205007527 /nfs/dbraw/zinc/00/75/27/205007527.db2.gz YCMRVDSXSPKUOV-UHFFFAOYSA-N 1 0 378.476 2.818 40 0 GFABRO CC1CC[NH+](CCCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC000038754070 205036680 /nfs/dbraw/zinc/03/66/80/205036680.db2.gz JBBMYKWUWJUUFQ-UHFFFAOYSA-N 1 0 387.933 2.563 40 0 GFABRO Cn1ccnc1CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCCN12 ZINC000072342675 205329721 /nfs/dbraw/zinc/32/97/21/205329721.db2.gz HKAQPWKSKYTNDL-UHFFFAOYSA-N 1 0 384.915 2.944 40 0 GFABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000072346129 205329857 /nfs/dbraw/zinc/32/98/57/205329857.db2.gz LOJLYNBELQDUSS-INIZCTEOSA-N 1 0 383.471 2.667 40 0 GFABRO COc1cccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)N4CCOCC4)C3)n2)c1 ZINC000072348720 205331187 /nfs/dbraw/zinc/33/11/87/205331187.db2.gz GTZKUPMGDRXBCQ-LJQANCHMSA-N 1 0 395.503 2.795 40 0 GFABRO Fc1ccc(-c2cc(C[NH2+]C[C@@H]3COc4ccccc4O3)c3nnnn3c2)cc1 ZINC000072392375 205341218 /nfs/dbraw/zinc/34/12/18/205341218.db2.gz ZGVFUJBFSUKNCD-GOSISDBHSA-N 1 0 391.406 2.860 40 0 GFABRO C[NH+]1CCC(CCNS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000120133895 205685367 /nfs/dbraw/zinc/68/53/67/205685367.db2.gz POSRJVOANXQNGA-UHFFFAOYSA-N 1 0 375.332 2.600 40 0 GFABRO Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000224639174 206025414 /nfs/dbraw/zinc/02/54/14/206025414.db2.gz YJJFVDGUWILHOE-SILNSSARSA-N 1 0 381.476 2.961 40 0 GFABRO CN1C[C@H]([NH2+]Cc2cccc(Cl)c2)CCC[C@@H](C(=O)NC2CC2)CC1=O ZINC000096113402 206117547 /nfs/dbraw/zinc/11/75/47/206117547.db2.gz JNHRXOCIWAONRZ-CRAIPNDOSA-N 1 0 377.916 2.725 40 0 biogenic,in-vitro GFABRO Cc1cc(Nc2cc(C3CCN(C(=O)C4([NH3+])CCCCC4)CC3)nc(C)n2)n[nH]1 ZINC000257291135 206173372 /nfs/dbraw/zinc/17/33/72/206173372.db2.gz QFUXLLSBUOSJHZ-UHFFFAOYSA-N 1 0 397.527 2.928 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)N(C)CC2CC[NH+](C)CC2)[C@@H]1c1ccccc1F ZINC000257252192 206166389 /nfs/dbraw/zinc/16/63/89/206166389.db2.gz JTWLHRVSZAIWAB-NQIIRXRSSA-N 1 0 389.515 2.926 40 0 GFABRO Cc1ccc(C(=O)N2CCC[C@@](O)(C[N@@H+]3CCc4ccccc4C3)CC2)c(=O)[nH]1 ZINC000257340295 206182128 /nfs/dbraw/zinc/18/21/28/206182128.db2.gz ZFKDEHROQDYEOR-QHCPKHFHSA-N 1 0 395.503 2.511 40 0 GFABRO Cc1ccc(C(=O)N2CCC[C@](O)(C[N@@H+]3CCc4ccccc4C3)CC2)c(=O)[nH]1 ZINC000257340294 206181231 /nfs/dbraw/zinc/18/12/31/206181231.db2.gz ZFKDEHROQDYEOR-HSZRJFAPSA-N 1 0 395.503 2.511 40 0 GFABRO C[NH+](C)C[C@@H]1CC[C@@]2(COCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)O1 ZINC000306138123 206204679 /nfs/dbraw/zinc/20/46/79/206204679.db2.gz RPVYTRKQMULVPO-AZUAARDMSA-N 1 0 392.927 2.710 40 0 GFABRO CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccccn2)CC1 ZINC000306140083 206205772 /nfs/dbraw/zinc/20/57/72/206205772.db2.gz UJLUYXZEWQSILU-UHFFFAOYSA-N 1 0 396.539 2.678 40 0 GFABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C2 ZINC000306123746 206197984 /nfs/dbraw/zinc/19/79/84/206197984.db2.gz AVNCADMABUBCKL-UXHICEINSA-N 1 0 387.487 2.512 40 0 GFABRO COC(=O)N1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000306125646 206198030 /nfs/dbraw/zinc/19/80/30/206198030.db2.gz CWUSSNLWYVXMFR-UHFFFAOYSA-N 1 0 397.435 2.704 40 0 GFABRO O=C(NC1CC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000306128291 206199789 /nfs/dbraw/zinc/19/97/89/206199789.db2.gz GWERWQJIWKHBQV-UHFFFAOYSA-N 1 0 383.471 2.538 40 0 GFABRO O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccnc2)CC1 ZINC000306130810 206200484 /nfs/dbraw/zinc/20/04/84/206200484.db2.gz JQASEEISFDQSKC-UHFFFAOYSA-N 1 0 394.523 2.574 40 0 GFABRO Cn1c(C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)cc2cc(F)ccc21 ZINC000019289756 221405235 /nfs/dbraw/zinc/40/52/35/221405235.db2.gz ZVKCUKIJZOUHOO-SFHVURJKSA-N 1 0 379.439 2.730 40 0 GFABRO C[C@H](C[N@@H+]1CCc2c(nc(N3C[C@H](C)O[C@@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000072335496 136168467 /nfs/dbraw/zinc/16/84/67/136168467.db2.gz FABMBFBEXQWRLX-IKGGRYGDSA-N 1 0 382.508 2.958 40 0 GFABRO C[NH+]1CCC(N2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)CC1 ZINC000049155314 560083888 /nfs/dbraw/zinc/08/38/88/560083888.db2.gz AKLZESVJFFKJEF-IBGZPJMESA-N 1 0 391.479 2.820 40 0 biogenic,in-vitro GFABRO Cc1cc(N2CCc3cc(Br)ccc3C2)nc(NCC[NH+](C)C)n1 ZINC000329010064 563469525 /nfs/dbraw/zinc/46/95/25/563469525.db2.gz LYPLIWAPYRHFGS-UHFFFAOYSA-N 1 0 390.329 3.084 40 0 GFABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1Br ZINC000585292131 565104330 /nfs/dbraw/zinc/10/43/30/565104330.db2.gz FFEIKXJYVCGQOR-KBAYOESNSA-N 1 0 380.257 2.909 40 0 GFABRO Cc1cccc(CNc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)c1 ZINC000329010237 570212131 /nfs/dbraw/zinc/21/21/31/570212131.db2.gz MADPXPYSSXPWQA-UHFFFAOYSA-N 1 0 376.508 2.667 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2F)cc(C(F)(F)F)n1 ZINC000329015259 570212541 /nfs/dbraw/zinc/21/25/41/570212541.db2.gz MZSFZROWUIIKER-UHFFFAOYSA-N 1 0 375.345 2.725 40 0 GFABRO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NCCCO)[nH+]c(C3CC3)n1)C2 ZINC000329029266 570213652 /nfs/dbraw/zinc/21/36/52/570213652.db2.gz PYQUGHONYIIOTP-UHFFFAOYSA-N 1 0 382.508 2.938 40 0 GFABRO C[NH+](C)CCNc1nc(NCc2ccc(Cl)cc2)cc(-c2ccncc2)n1 ZINC000329046628 570214971 /nfs/dbraw/zinc/21/49/71/570214971.db2.gz UCLUJDGUOXOCKW-UHFFFAOYSA-N 1 0 382.899 2.621 40 0 GFABRO Cc1cccc(CNc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)c1 ZINC000329053222 570215258 /nfs/dbraw/zinc/21/52/58/570215258.db2.gz VETBTWUBBYDADM-UHFFFAOYSA-N 1 0 376.508 2.667 40 0 GFABRO COc1ccc(C(=O)N2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)cc1 ZINC000096239893 570222188 /nfs/dbraw/zinc/22/21/88/570222188.db2.gz QKEFQEMTDLYMDF-UHFFFAOYSA-N 1 0 395.503 2.845 40 0 GFABRO COc1ccc(CC[NH2+]Cc2cc3ccc(C)cc3n3nnnc23)cc1OC ZINC000013998164 570271493 /nfs/dbraw/zinc/27/14/93/570271493.db2.gz ABUIQCAXMHNHBM-UHFFFAOYSA-N 1 0 377.448 2.935 40 0 GFABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)c3cc(C4CC4)on3)C2)OC1 ZINC000575404309 570520482 /nfs/dbraw/zinc/52/04/82/570520482.db2.gz LNBWNNCORMCSCB-KRWDZBQOSA-N 1 0 396.491 2.700 40 0 GFABRO CCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)N2CC[NH+](C)CC2)c1=O ZINC000022697256 570529721 /nfs/dbraw/zinc/52/97/21/570529721.db2.gz FOFLFQJKMCCDOS-FQEVSTJZSA-N 1 0 387.549 2.941 40 0 GFABRO CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)C1 ZINC000014607413 570893195 /nfs/dbraw/zinc/89/31/95/570893195.db2.gz ONYCNNRYPLGFAB-XJKSGUPXSA-N 1 0 378.856 2.555 40 0 GFABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(C)c2)CC1 ZINC000585106337 570936292 /nfs/dbraw/zinc/93/62/92/570936292.db2.gz XFNFIOBTHWIQRB-SXLOBPIMSA-N 1 0 383.536 2.836 40 0 GFABRO CC(=O)NCCn1nc([C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019021802 570955134 /nfs/dbraw/zinc/95/51/34/570955134.db2.gz UHOYGJLSXARWBP-QGZVFWFLSA-N 1 0 381.455 2.696 40 0 GFABRO CC(=O)OCc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)o1 ZINC000019129282 570958066 /nfs/dbraw/zinc/95/80/66/570958066.db2.gz ZSTMKSHISULAOV-OAHLLOKOSA-N 1 0 383.452 2.656 40 0 GFABRO Cc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019210908 570960381 /nfs/dbraw/zinc/96/03/81/570960381.db2.gz DTJSXBCMEUHDJS-IAGOWNOFSA-N 1 0 380.492 2.604 40 0 GFABRO Cc1cccc(CC(=O)N2CC[C@@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)c1 ZINC000019234612 570965171 /nfs/dbraw/zinc/96/51/71/570965171.db2.gz FKHFDKLHRWPEJB-LJQANCHMSA-N 1 0 391.519 2.860 40 0 GFABRO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@H+](Cc1sccc1C)CC3 ZINC000019238709 570967656 /nfs/dbraw/zinc/96/76/56/570967656.db2.gz ZGFRQMKIRZUIRZ-UHFFFAOYSA-N 1 0 385.489 2.842 40 0 GFABRO Cn1nc(-c2cccnc2)cc1C[NH+]1CCC(NC(=O)[C@@H]2CC=CCC2)CC1 ZINC000019288963 570971013 /nfs/dbraw/zinc/97/10/13/570971013.db2.gz ZSMCXDUSUGHLTC-QGZVFWFLSA-N 1 0 379.508 2.919 40 0 GFABRO O=C(C[NH+]1CCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 ZINC000019369317 570980494 /nfs/dbraw/zinc/98/04/94/570980494.db2.gz DMJRLICNUHHUCB-FQEVSTJZSA-N 1 0 394.519 2.923 40 0 GFABRO C[C@H]1CCc2onc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CC[N@@H+](C)C5)C3)c2C1 ZINC000019497120 570989944 /nfs/dbraw/zinc/98/99/44/570989944.db2.gz WTRUZKVVUMXTPP-LSDHHAIUSA-N 1 0 395.507 2.597 40 0 GFABRO C[C@@H]1CCc2onc(C(=O)N3CCC(c4ncc5c(n4)CC[N@@H+](C)C5)CC3)c2C1 ZINC000019497111 570990021 /nfs/dbraw/zinc/99/00/21/570990021.db2.gz BRDVSACZVFASIP-CQSZACIVSA-N 1 0 395.507 2.597 40 0 GFABRO C[C@H]1Cc2cc(C(=O)N3CCc4nc([C@@H]5CCCC[NH2+]5)ncc4C3)ccc2O1 ZINC000019497964 570990492 /nfs/dbraw/zinc/99/04/92/570990492.db2.gz DTBKCMZUXJFLSG-LIRRHRJNSA-N 1 0 378.476 2.813 40 0 GFABRO CCc1cc(=O)[nH]c([C@H]2CCC[N@H+](Cc3cc(OC)c(OC)c(OC)c3)C2)n1 ZINC000019522491 570995232 /nfs/dbraw/zinc/99/52/32/570995232.db2.gz PLGICVPIRPGZQR-HNNXBMFYSA-N 1 0 387.480 2.738 40 0 GFABRO CCOc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2Cc2ccccc2)cc1OC ZINC000019533932 570999876 /nfs/dbraw/zinc/99/98/76/570999876.db2.gz RREZKVXKSNYMBL-BHIFYINESA-N 1 0 396.531 2.956 40 0 GFABRO Cc1c2ccccc2oc1C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000019566282 571007947 /nfs/dbraw/zinc/00/79/47/571007947.db2.gz NWWLRHHOMFTZIY-HNNXBMFYSA-N 1 0 389.459 2.993 40 0 GFABRO C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CCN1CCOCC1 ZINC000019589134 571016410 /nfs/dbraw/zinc/01/64/10/571016410.db2.gz VYMXLOFCZIOVNJ-MQSCRBSSSA-N 1 0 385.552 2.578 40 0 GFABRO COCCc1ncc(C[NH+]2CCC(c3ccc(-c4cncnc4)cn3)CC2)cn1 ZINC000019688073 571028754 /nfs/dbraw/zinc/02/87/54/571028754.db2.gz RXNBBTZUKZKCNW-UHFFFAOYSA-N 1 0 390.491 2.897 40 0 GFABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(C(=O)NC)nc2)cn1 ZINC000019691808 571029770 /nfs/dbraw/zinc/02/97/70/571029770.db2.gz WFSUZKKJWAWWAC-HXUWFJFHSA-N 1 0 395.507 2.509 40 0 GFABRO Cc1cc2cc(C(=O)N3CCc4nnc([C@H]5CCC[N@@H+](C)C5)n4CC3)ccc2o1 ZINC000019709262 571033533 /nfs/dbraw/zinc/03/35/33/571033533.db2.gz ZNQKIUGOGPXQRT-KRWDZBQOSA-N 1 0 393.491 2.840 40 0 GFABRO Cc1c(NC(=O)C[N@@H+]2CCC[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)cnn1C ZINC000019715578 571037279 /nfs/dbraw/zinc/03/72/79/571037279.db2.gz BEZWNEMGPUYTDM-AWEZNQCLSA-N 1 0 384.459 2.637 40 0 GFABRO CCn1nc([C@@H](C)C(=O)NCC(C)(C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC000019716940 571039101 /nfs/dbraw/zinc/03/91/01/571039101.db2.gz YTUMTYITUBODES-MRXNPFEDSA-N 1 0 384.524 2.901 40 0 GFABRO CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1cccs1)CCC2 ZINC000096056052 571097961 /nfs/dbraw/zinc/09/79/61/571097961.db2.gz PGZIJXVLHZJGMJ-JXFKEZNVSA-N 1 0 386.521 2.820 40 0 GFABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C(=O)N(C)C)CN(c4ncccn4)C[C@@H]3C2)s1 ZINC000096056104 571098010 /nfs/dbraw/zinc/09/80/10/571098010.db2.gz YTVPIMULLNYZQT-UWJYYQICSA-N 1 0 399.564 2.653 40 0 GFABRO C[NH+](C)CCN(Cc1cccnc1)C(=O)Cc1csc(-c2ccccn2)n1 ZINC000012222340 204385174 /nfs/dbraw/zinc/38/51/74/204385174.db2.gz NTFNWULAEHXZPF-UHFFFAOYSA-N 1 0 381.505 2.733 40 0 GFABRO O[C@@H](C[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCC2 ZINC000012292571 204389818 /nfs/dbraw/zinc/38/98/18/204389818.db2.gz YTDVWPKJDIMCDL-FQEVSTJZSA-N 1 0 381.472 2.921 40 0 GFABRO C[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21)N1CCCC1=O ZINC000019079550 204624955 /nfs/dbraw/zinc/62/49/55/204624955.db2.gz XDRMYYCSNATQDH-RMYQPGKMSA-N 1 0 387.499 2.663 40 0 GFABRO CS(=O)(=O)Nc1ccc(C(=O)NCCC[NH+]2CCCCCC2)c(Cl)c1 ZINC000038754856 205038384 /nfs/dbraw/zinc/03/83/84/205038384.db2.gz TWCGTCWCHWDVQD-UHFFFAOYSA-N 1 0 387.933 2.707 40 0 GFABRO O=C(c1cc[nH]n1)N1CC[N@H+](Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355191 205332825 /nfs/dbraw/zinc/33/28/25/205332825.db2.gz XWGBNMWZQMJCJL-LJQANCHMSA-N 1 0 375.476 2.622 40 0 GFABRO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000072358551 205334137 /nfs/dbraw/zinc/33/41/37/205334137.db2.gz MSYPPIPIPJLPSQ-QGZVFWFLSA-N 1 0 380.492 2.954 40 0 GFABRO Cc1ccc2oc(C(=O)N3CCC[C@@H](c4nnc5n4CC[N@@H+](C)CC5)C3)cc2c1 ZINC000072370933 205336154 /nfs/dbraw/zinc/33/61/54/205336154.db2.gz KREUTIFGXAHXRV-MRXNPFEDSA-N 1 0 393.491 2.840 40 0 GFABRO Cc1cc2sc(NC(=O)C3CN(C(=O)C4CC[NH+](C)CC4)C3)nc2c(C)c1 ZINC000072392061 205342524 /nfs/dbraw/zinc/34/25/24/205342524.db2.gz PSOGSUHJRFTFTI-UHFFFAOYSA-N 1 0 386.521 2.652 40 0 GFABRO CC(C)[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)n2)C1 ZINC000072399209 205344077 /nfs/dbraw/zinc/34/40/77/205344077.db2.gz RLQMQYYSZBJAFA-KBAYOESNSA-N 1 0 386.540 2.720 40 0 GFABRO O=C(c1cnc2ccccc2c1)N1CCC[C@@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075562 205521986 /nfs/dbraw/zinc/52/19/86/205521986.db2.gz BPEQGNLDTATMLY-WZONZLPQSA-N 1 0 395.503 2.578 40 0 GFABRO COCC[N@H+](C)C[C@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000248046061 206136170 /nfs/dbraw/zinc/13/61/70/206136170.db2.gz WIIGKHDZGCHYPH-MBSDFSHPSA-N 1 0 397.519 2.824 40 0 GFABRO CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(C(=O)C[NH+](C)C)CC2 ZINC000257281424 206171538 /nfs/dbraw/zinc/17/15/38/206171538.db2.gz OPDKURXDQMLJFP-FQEVSTJZSA-N 1 0 385.552 2.656 40 0 GFABRO CC[N@H+](Cc1c(C)onc1-c1ccccc1)C[C@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257242396 206165302 /nfs/dbraw/zinc/16/53/02/206165302.db2.gz ICHIHKRZXVJKEI-NRFANRHFSA-N 1 0 394.479 2.820 40 0 GFABRO COCC[N@@H+]1CCC[C@@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 ZINC000257331154 206179307 /nfs/dbraw/zinc/17/93/07/206179307.db2.gz XRPQAISIBXEUIT-LJQANCHMSA-N 1 0 376.526 2.580 40 0 GFABRO COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)c1 ZINC000306139382 206204415 /nfs/dbraw/zinc/20/44/15/206204415.db2.gz SVWCZTZYFSVKMK-FCHUYYIVSA-N 1 0 388.471 2.973 40 0 GFABRO O=C1N(Cc2ccsc2)CCO[C@]12C[N@H+](CC1CC1)C[C@H]2c1cccnc1 ZINC000306140244 206204588 /nfs/dbraw/zinc/20/45/88/206204588.db2.gz UNVDHILINJPFTH-FPOVZHCZSA-N 1 0 383.517 2.750 40 0 GFABRO O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000306124290 206196411 /nfs/dbraw/zinc/19/64/11/206196411.db2.gz BMCOEOCWSLOGLT-JOCHJYFZSA-N 1 0 376.435 2.992 40 0 GFABRO O=C1N(CC2CC2)CCO[C@]12C[N@H+](Cc1ccc(F)cc1)C[C@H]2c1cccnc1 ZINC000306125900 206197752 /nfs/dbraw/zinc/19/77/52/206197752.db2.gz DFDLGRGLDMYOGS-GMAHTHKFSA-N 1 0 395.478 2.828 40 0 GFABRO Cc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)n1 ZINC000306138724 206204277 /nfs/dbraw/zinc/20/42/77/206204277.db2.gz SFUASXMBNIUGOK-DLBZAZTESA-N 1 0 388.475 2.538 40 0 GFABRO c1ccc(Cn2nnc3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057709721 136153814 /nfs/dbraw/zinc/15/38/14/136153814.db2.gz IQRFRFCVRPZCRZ-UHFFFAOYSA-N 1 0 385.475 2.592 40 0 GFABRO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@H+](CC2=Cc4ccccc4OC2)CC3)CC1 ZINC000072389570 136169275 /nfs/dbraw/zinc/16/92/75/136169275.db2.gz XEDYQBMGKOEJCQ-UHFFFAOYSA-N 1 0 392.503 2.840 40 0 GFABRO CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)C[NH+](C)C)C2)C3)cc1 ZINC000004237470 560197767 /nfs/dbraw/zinc/19/77/67/560197767.db2.gz VBDBIFDBWQAPIY-DOTOQJQBSA-N 1 0 397.544 2.745 40 0 biogenic,in-vitro GFABRO C[NH+](C)CCNc1nc(Nc2c(F)cc(F)cc2F)cc(-c2ccncc2)n1 ZINC000329004757 570211396 /nfs/dbraw/zinc/21/13/96/570211396.db2.gz KSWZSNUULYRDGR-UHFFFAOYSA-N 1 0 388.397 2.517 40 0 GFABRO C[NH+](C)CCCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccnc2)n1 ZINC000329002198 570211521 /nfs/dbraw/zinc/21/15/21/570211521.db2.gz KGMLNPLQJYLLCO-UHFFFAOYSA-N 1 0 398.461 2.636 40 0 GFABRO CN(C)C(=O)n1c(C(=O)N2CCC([NH+](C)C)CC2)cc2c1c1ccccc1n2C ZINC000096146299 570213881 /nfs/dbraw/zinc/21/38/81/570213881.db2.gz KMWZFHYRVBZWGX-UHFFFAOYSA-N 1 0 395.507 2.829 40 0 GFABRO COc1cc2c(cc1OC)CN(c1cc(NCC[NH+](C)C)nc(C3CC3)n1)CC2 ZINC000329043077 570214522 /nfs/dbraw/zinc/21/45/22/570214522.db2.gz SQWGEPPDELHESI-UHFFFAOYSA-N 1 0 397.523 2.907 40 0 GFABRO C[NH2+]CC(=O)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585262975 570231115 /nfs/dbraw/zinc/23/11/15/570231115.db2.gz SCMVJKPLLRSWHZ-AWEZNQCLSA-N 1 0 383.883 2.975 40 0 GFABRO NC(=O)CN1CCCC[C@H]2C[N@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@H]21 ZINC000585282525 570250434 /nfs/dbraw/zinc/25/04/34/570250434.db2.gz FQPVIHBPPPRQGQ-ZPFZUWPUSA-N 1 0 399.579 2.737 40 0 GFABRO CCc1nnsc1C(=O)N(C)Cc1cc([C@H]2CC[C@H](C[NH2+]C)CC2)nn1C ZINC000100687674 570274686 /nfs/dbraw/zinc/27/46/86/570274686.db2.gz WZARPIZDCIGLMP-OKILXGFUSA-N 1 0 390.557 2.599 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccccc1C ZINC000020801249 570281401 /nfs/dbraw/zinc/28/14/01/570281401.db2.gz LLOGGXDSZYYIBL-VQTJNVASSA-N 1 0 391.471 2.760 40 0 GFABRO Cc1ccc(F)cc1C[NH+]1CCC2(CC1)C[C@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108531563 570313042 /nfs/dbraw/zinc/31/30/42/570313042.db2.gz PTSFKHLYTOSBPR-GOSISDBHSA-N 1 0 396.528 2.730 40 0 GFABRO COc1cccc(CNCC[NH2+]C[C@@H](C)O)c1OCc1ccc(Cl)cc1 ZINC000022075178 570321330 /nfs/dbraw/zinc/32/13/30/570321330.db2.gz ZKFPJENTPUSONF-OAHLLOKOSA-N 1 0 378.900 2.988 40 0 GFABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(Cl)(Cl)Cl)c1 ZINC000057314165 570360404 /nfs/dbraw/zinc/36/04/04/570360404.db2.gz IMCNSIPAROGRAI-UHFFFAOYSA-N 1 0 394.686 2.534 40 0 GFABRO COc1ccc(OC)c(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000025224533 570413537 /nfs/dbraw/zinc/41/35/37/570413537.db2.gz UGVOCOSFWOPERG-SFHVURJKSA-N 1 0 393.443 2.649 40 0 GFABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 ZINC000223261722 570454290 /nfs/dbraw/zinc/45/42/90/570454290.db2.gz OMIFSMXLCBXSCY-DBVUQKKJSA-N 1 0 399.564 2.596 40 0 GFABRO C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C[NH2+]C3CCCC3)cc2)C1 ZINC000000902196 570514416 /nfs/dbraw/zinc/51/44/16/570514416.db2.gz SCFDMWWQRNYHBU-HNNXBMFYSA-N 1 0 379.526 2.578 40 0 GFABRO COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)c1ccnc(F)c1)CC2 ZINC000585103277 570931601 /nfs/dbraw/zinc/93/16/01/570931601.db2.gz BHJPOOBGRBCKAV-IBGZPJMESA-N 1 0 398.482 2.759 40 0 GFABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H](O)C4)C3)CC2)cc1F ZINC000585103022 570931757 /nfs/dbraw/zinc/93/17/57/570931757.db2.gz BHGBGFTZRMXRGX-OALUTQOASA-N 1 0 390.499 2.602 40 0 GFABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[NH+]4CCCC4)C3)CC2)c1 ZINC000585105335 570932052 /nfs/dbraw/zinc/93/20/52/570932052.db2.gz UGUGBGORSYBAPM-HXUWFJFHSA-N 1 0 388.508 2.811 40 0 GFABRO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019079272 570955909 /nfs/dbraw/zinc/95/59/09/570955909.db2.gz NUQUBVNOSDOERA-IFXJQAMLSA-N 1 0 384.455 2.783 40 0 GFABRO COc1cc(C)ccc1OCC(=O)N1CCc2nc([C@H]3CCCN3C)ncc2C1 ZINC000019134328 570958339 /nfs/dbraw/zinc/95/83/39/570958339.db2.gz PGMCPVQYJBXLBP-GOSISDBHSA-N 1 0 396.491 2.524 40 0 GFABRO CNc1ncc(C[NH2+][C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cn1 ZINC000019285363 570969205 /nfs/dbraw/zinc/96/92/05/570969205.db2.gz NDMWNTUXHMTMCZ-QGZVFWFLSA-N 1 0 384.871 2.637 40 0 GFABRO Cc1nc(C)n(CC(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@H+]3C)n1 ZINC000019285752 570969693 /nfs/dbraw/zinc/96/96/93/570969693.db2.gz HMRKXDWNLDFNDT-KCZVDYSFSA-N 1 0 381.524 2.764 40 0 GFABRO Cc1nc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@@H+](C)C4)ccc2n1C ZINC000019286521 570969709 /nfs/dbraw/zinc/96/97/09/570969709.db2.gz FEBBBCGNZZCGSB-HXUWFJFHSA-N 1 0 390.491 2.637 40 0 GFABRO Cc1nnnn1-c1ccc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCCCC2)cc1 ZINC000019288419 570970622 /nfs/dbraw/zinc/97/06/22/570970622.db2.gz RKFCTDHBZWFBOS-OAQYLSRUSA-N 1 0 396.539 2.770 40 0 GFABRO Cn1c2ccc(CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3Cc3ccccc3)cc2n(C)c1=O ZINC000019289800 570971494 /nfs/dbraw/zinc/97/14/94/570971494.db2.gz KTARSRHFDKLUFI-SFTDATJTSA-N 1 0 390.531 2.768 40 0 GFABRO O=C([C@@H]1CC(=O)N(Cc2cccnc2)C1)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019338788 570976607 /nfs/dbraw/zinc/97/66/07/570976607.db2.gz SPQMOLBGUTZBLL-RTWAWAEBSA-N 1 0 398.551 2.687 40 0 GFABRO O=C(C[NH+]1CCCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000019369271 570980641 /nfs/dbraw/zinc/98/06/41/570980641.db2.gz YJJYNOWKHQQMKG-FQEVSTJZSA-N 1 0 394.519 2.923 40 0 GFABRO O=C(C[NH+]1CCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000019369266 570980662 /nfs/dbraw/zinc/98/06/62/570980662.db2.gz HFNLFQADWKWMRD-IBGZPJMESA-N 1 0 380.492 2.533 40 0 GFABRO CCOc1ccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000019533004 570999324 /nfs/dbraw/zinc/99/93/24/570999324.db2.gz UCDSBAZYDBOHJQ-FQEVSTJZSA-N 1 0 380.492 2.817 40 0 GFABRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cc(OC)c1OC ZINC000019549737 571000277 /nfs/dbraw/zinc/00/02/77/571000277.db2.gz RUNHHBIRZCFCIT-MRXNPFEDSA-N 1 0 399.491 2.595 40 0 GFABRO COc1ccc(OC)c(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)c1 ZINC000019551066 571000802 /nfs/dbraw/zinc/00/08/02/571000802.db2.gz CKVRBQAOSFYMPI-SFHVURJKSA-N 1 0 382.464 2.507 40 0 GFABRO Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)n1 ZINC000019572834 571010690 /nfs/dbraw/zinc/01/06/90/571010690.db2.gz OHJCCJNDANRXCJ-MSOLQXFVSA-N 1 0 396.539 2.635 40 0 GFABRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2F)C[C@]12CCc1ccccc1C(=O)N2 ZINC000019583349 571014308 /nfs/dbraw/zinc/01/43/08/571014308.db2.gz JPTQHBJSCOIBCQ-UZUQRXQVSA-N 1 0 395.478 2.574 40 0 GFABRO C[N@@H+]1CCc2nc([C@H]3CCCCN3Cc3ccc4c(c3)OCCO4)ncc2C1 ZINC000019590337 571017331 /nfs/dbraw/zinc/01/73/31/571017331.db2.gz OUDRCGKXRVVLGI-LJQANCHMSA-N 1 0 380.492 2.963 40 0 GFABRO COc1ccc(CCC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019590390 571018216 /nfs/dbraw/zinc/01/82/16/571018216.db2.gz QYZLCXYERKQKQV-GOSISDBHSA-N 1 0 394.519 2.812 40 0 GFABRO COc1cc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc(OC)c1 ZINC000019595082 571020997 /nfs/dbraw/zinc/02/09/97/571020997.db2.gz GGOXEPXUGQRIAV-QGZVFWFLSA-N 1 0 392.459 2.839 40 0 GFABRO Fc1ccc(OC[C@H]2CCC[N@H+](Cc3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000019657881 571024436 /nfs/dbraw/zinc/02/44/36/571024436.db2.gz CGVCPTCQODELHR-KRWDZBQOSA-N 1 0 386.471 2.743 40 0 GFABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCNC4)C2)c2cc(OC)ccc21 ZINC000019710972 571034837 /nfs/dbraw/zinc/03/48/37/571034837.db2.gz OQOJKESJEKFFNS-MRXNPFEDSA-N 1 0 394.523 2.744 40 0 GFABRO O[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1C[NH2+]C1CCOCC1 ZINC000077262608 230952741 /nfs/dbraw/zinc/95/27/41/230952741.db2.gz VBTFHSQADAKFMH-IRFCIJBXSA-N 1 0 390.455 2.700 40 0 biogenic,in-vitro GFABRO C[NH+]1CCN(c2cc3[nH]c(=O)[nH]c3cc2NC(=O)CCc2ccccc2)CC1 ZINC000408529722 529777026 /nfs/dbraw/zinc/77/70/26/529777026.db2.gz HSBZFQLHHYHTME-UHFFFAOYSA-N 1 0 379.464 2.592 40 0 GFABRO CN1[C@@H]2CC[N@@H+](C3CCCCC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)Nc1ccccc1 ZINC000035442483 204220566 /nfs/dbraw/zinc/22/05/66/204220566.db2.gz LIOQSNNYIURFNW-VWPQPMDRSA-N 1 0 398.551 2.611 40 0 biogenic,in-vitro GFABRO COc1ccc2c3c1O[C@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(C)(C)O)C2 ZINC000008665387 204283843 /nfs/dbraw/zinc/28/38/43/204283843.db2.gz MKWFKXIKUBABHP-CWMQWSEUSA-N 1 0 399.531 2.910 40 0 GFABRO COc1ccc(CNC2=[NH+][C@H]([C@H]3CC=CCC3)n3c(=O)cc(C)nc3N2)cc1 ZINC000009426311 204310729 /nfs/dbraw/zinc/31/07/29/204310729.db2.gz IVIIJBQRVGWIQK-LPHOPBHVSA-N 1 0 379.464 2.987 40 0 GFABRO COCCc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cn1 ZINC000012329048 204399391 /nfs/dbraw/zinc/39/93/91/204399391.db2.gz CCFYUFOTUDPNGM-QIDMFYOTSA-N 1 0 383.492 2.689 40 0 GFABRO Cc1ccc([C@H](C)C(=O)N2CC[C@@H](c3nn(CC[NH3+])c4ncccc34)C2)cc1 ZINC000019135654 204627829 /nfs/dbraw/zinc/62/78/29/204627829.db2.gz YCHAUCWKSIGHSZ-FUHWJXTLSA-N 1 0 377.492 2.818 40 0 GFABRO Cc1oc2c(c1C(=O)N1CC[C@@H](c3nn(CC[NH3+])c4ncccc34)C1)CCCC2 ZINC000019581179 204661566 /nfs/dbraw/zinc/66/15/66/204661566.db2.gz VMRXFTAXMJCVGL-OAHLLOKOSA-N 1 0 393.491 2.800 40 0 GFABRO O=C(c1cc([C@H]2CCC[N@H+](CCCc3ccccc3)C2)n[nH]1)N1CCOCC1 ZINC000072380622 205339113 /nfs/dbraw/zinc/33/91/13/205339113.db2.gz LPYPVIKKBKYMGW-IBGZPJMESA-N 1 0 382.508 2.694 40 0 GFABRO C[N@@H+]1CC[C@@H](c2nn(CCNC(=O)CCC3CCCCC3)c3nccnc23)C1 ZINC000072391677 205341408 /nfs/dbraw/zinc/34/14/08/205341408.db2.gz PXEMKAYINYRYOD-QGZVFWFLSA-N 1 0 384.528 2.722 40 0 GFABRO O=C(NC[C@@H]1COc2ccccc2O1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000225270194 206041470 /nfs/dbraw/zinc/04/14/70/206041470.db2.gz OIXYPIICSNIHBB-LJQANCHMSA-N 1 0 384.451 2.994 40 0 GFABRO C[NH+](C)CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cn1 ZINC000225915181 206084162 /nfs/dbraw/zinc/08/41/62/206084162.db2.gz QUAJJQXMZONLAZ-UHFFFAOYSA-N 1 0 385.464 2.712 40 0 GFABRO O=C1[C@@H]2C[C@@H](C[N@@H+]2C2CCOCC2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111864 206116538 /nfs/dbraw/zinc/11/65/38/206116538.db2.gz LMOQZLBBVDVTTC-ICSRJNTNSA-N 1 0 379.460 2.629 40 0 biogenic,in-vitro GFABRO C[NH+]1CCC(C(=O)N2CCO[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)CC1 ZINC000257215687 206161702 /nfs/dbraw/zinc/16/17/02/206161702.db2.gz CRFIBNDYOAMZRT-LJQANCHMSA-N 1 0 387.455 2.646 40 0 GFABRO Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1O ZINC000257273134 206171612 /nfs/dbraw/zinc/17/16/12/206171612.db2.gz NFJYIIUMPAQZBV-NJDAHSKKSA-N 1 0 382.508 2.624 40 0 GFABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccc(-c2cnc(N)nc2)n1 ZINC000257308861 206176934 /nfs/dbraw/zinc/17/69/34/206176934.db2.gz TYMQBFZJQAYOON-TUXJCPBXSA-N 1 0 392.507 2.598 40 0 GFABRO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccnn2C)cc1 ZINC000257224243 206162921 /nfs/dbraw/zinc/16/29/21/206162921.db2.gz FAXWXGQFYWYNNC-RTWAWAEBSA-N 1 0 382.508 2.974 40 0 GFABRO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@@H+](C1CCC1)C[C@@H]2c1cccnc1 ZINC000306141426 206206610 /nfs/dbraw/zinc/20/66/10/206206610.db2.gz VVQFIAMMUKICLE-TZIWHRDSSA-N 1 0 383.517 2.893 40 0 GFABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cn1 ZINC000306142918 206207738 /nfs/dbraw/zinc/20/77/38/206207738.db2.gz XOBXXPYKTDDHQV-SFHVURJKSA-N 1 0 379.512 2.926 40 0 GFABRO COC(=O)c1ccc([C@H]2CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C[NH2+]2)cc1 ZINC000306145483 206208481 /nfs/dbraw/zinc/20/84/81/206208481.db2.gz GPNXCGBLAHTCQJ-OXQOHEQNSA-N 1 0 376.453 2.514 40 0 GFABRO C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnnc1)Cc1sc(-c3ccccc3)nc12 ZINC000306128437 206198445 /nfs/dbraw/zinc/19/84/45/206198445.db2.gz HAHRJJCEBVKIPS-OAQYLSRUSA-N 1 0 391.500 2.829 40 0 GFABRO O=C1N(CC2CC2)CCO[C@]12C[N@H+](Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306128071 206198525 /nfs/dbraw/zinc/19/85/25/206198525.db2.gz GPHRUCIVJDEBJQ-FPOVZHCZSA-N 1 0 383.517 2.750 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccc(F)c3)C[C@H]1C2 ZINC000306131053 206200871 /nfs/dbraw/zinc/20/08/71/206200871.db2.gz JVIAUTCSXBNKOV-SJORKVTESA-N 1 0 391.450 2.974 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 ZINC000096050255 136183405 /nfs/dbraw/zinc/18/34/05/136183405.db2.gz OJXLQLMMUMNIBL-QFIPXVFZSA-N 1 0 383.467 2.757 40 0 GFABRO Cc1cc(=O)oc2cc(OCC(=O)N3C[C@H]4C[NH2+]C[C@@H]4c4ccccc43)ccc12 ZINC000096157022 136184718 /nfs/dbraw/zinc/18/47/18/136184718.db2.gz RYCBEPISICHVOH-BEFAXECRSA-N 1 0 390.439 2.830 40 0 GFABRO CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccc(Cl)cc4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096143828 570213477 /nfs/dbraw/zinc/21/34/77/570213477.db2.gz WMYKAHXHKZBESV-LAUBAEHRSA-N 1 0 389.927 2.650 40 0 GFABRO C[NH+]1CCC(C(=O)N2CC(C(=O)Nc3ccc(OC4CCCC4)cc3)C2)CC1 ZINC000019747563 570214016 /nfs/dbraw/zinc/21/40/16/570214016.db2.gz TXUMMORTEPRFII-UHFFFAOYSA-N 1 0 385.508 2.747 40 0 GFABRO COc1cc2c(cc1OC)CN(c1cc(N[C@H](C)CO)[nH+]c(C(C)C)n1)CC2 ZINC000329067989 570216453 /nfs/dbraw/zinc/21/64/53/570216453.db2.gz YLOOALLAINEKQP-CQSZACIVSA-N 1 0 386.496 2.973 40 0 GFABRO O=C1N(c2ccc3c(c2)OCO3)CC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096202972 570219116 /nfs/dbraw/zinc/21/91/16/570219116.db2.gz INNPVRINIBCCQH-UHFFFAOYSA-N 1 0 394.427 2.773 40 0 GFABRO COc1ncccc1C[NH+]1CCC2(C[C@@H](NC(=O)c3cccs3)CO2)CC1 ZINC000096221247 570220133 /nfs/dbraw/zinc/22/01/33/570220133.db2.gz LJEAVEOJEXVPTR-MRXNPFEDSA-N 1 0 387.505 2.705 40 0 GFABRO CCOCCOc1ccc(C[N@H+](C)C[C@@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270182 570239151 /nfs/dbraw/zinc/23/91/51/570239151.db2.gz HUKZRHOWUQCKSQ-QFIPXVFZSA-N 1 0 385.508 2.570 40 0 GFABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH+]1CCN(c2ncccn2)CC1 ZINC000585289551 570257442 /nfs/dbraw/zinc/25/74/42/570257442.db2.gz JTDOJHAXMMBOMS-IPMKNSEASA-N 1 0 388.899 2.613 40 0 GFABRO C[NH+](C)C/C=C/C(=O)N1CCC(Cc2cc(Nc3nccs3)ncn2)CC1 ZINC000585292316 570261605 /nfs/dbraw/zinc/26/16/05/570261605.db2.gz KQAHZMQMMDVGFO-ONEGZZNKSA-N 1 0 386.525 2.576 40 0 GFABRO COc1cc([C@H](C)c2cc3c(cc2OCC[NH3+])OCO3)cc(OC)c1OC ZINC000001630543 570266479 /nfs/dbraw/zinc/26/64/79/570266479.db2.gz LIGUTTHNIDGGCQ-LBPRGKRZSA-N 1 0 375.421 2.930 40 0 GFABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)C3CCOCC3)CC2)nn1C ZINC000100687592 570274645 /nfs/dbraw/zinc/27/46/45/570274645.db2.gz HJLGHZBBCJXSRH-HDICACEKSA-N 1 0 376.545 2.783 40 0 GFABRO COc1cc(COC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000002686924 570295197 /nfs/dbraw/zinc/29/51/97/570295197.db2.gz WXONXIJDSQKEMJ-YJBOKZPZSA-N 1 0 375.465 2.941 40 0 GFABRO CCC(=O)c1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022467788 570317923 /nfs/dbraw/zinc/31/79/23/570317923.db2.gz HPZANWHPNNPPDR-NRFANRHFSA-N 1 0 382.504 2.837 40 0 GFABRO COC[C@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242538925 570340136 /nfs/dbraw/zinc/34/01/36/570340136.db2.gz JIDSSZFALXRQKC-IPMKNSEASA-N 1 0 395.908 2.880 40 0 GFABRO CC(C)(C)C[NH+]1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 ZINC000604381923 570352730 /nfs/dbraw/zinc/35/27/30/570352730.db2.gz VNSAMIKJUXNOGJ-GOSISDBHSA-N 1 0 391.943 2.597 40 0 biogenic,in-vitro GFABRO COc1cccc([C@@H](CNC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)[NH+](C)C)c1 ZINC000047681734 570410804 /nfs/dbraw/zinc/41/08/04/570410804.db2.gz XXLWZPKHPDCLJA-BEFIOADNSA-N 1 0 395.503 2.632 40 0 GFABRO COc1ccc(C)cc1N1C(=O)C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C1=O ZINC000025224527 570413704 /nfs/dbraw/zinc/41/37/04/570413704.db2.gz PPJLWGRYQRWFQB-SFHVURJKSA-N 1 0 377.444 2.949 40 0 GFABRO COc1ccc(OC)c2[nH]c(=O)c(C[NH2+]CCc3ccc4c(c3)OCO4)cc12 ZINC000013998847 570421921 /nfs/dbraw/zinc/42/19/21/570421921.db2.gz MIEIFTPSABGWKF-UHFFFAOYSA-N 1 0 382.416 2.606 40 0 GFABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000026843044 570429151 /nfs/dbraw/zinc/42/91/51/570429151.db2.gz HVGNFJJSGKDXPL-UHFFFAOYSA-N 1 0 390.505 2.778 40 0 GFABRO C[N@@H+](Cc1cccc(CN2CCOCC2)c1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257290070 570488637 /nfs/dbraw/zinc/48/86/37/570488637.db2.gz QBLLRXBAYLIGKI-QHCPKHFHSA-N 1 0 393.531 2.966 40 0 GFABRO O=C1CCc2cc(S(=O)(=O)NC3(C[NH+]4CCCC4)CCCCC3)ccc2N1 ZINC000012362346 570646266 /nfs/dbraw/zinc/64/62/66/570646266.db2.gz SQYDQAPRCHRRBS-UHFFFAOYSA-N 1 0 391.537 2.648 40 0 GFABRO C[NH+](C)CCCNC(=S)N1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000004967056 570654165 /nfs/dbraw/zinc/65/41/65/570654165.db2.gz CBBLVOCYASNUSU-UHFFFAOYSA-N 1 0 389.594 2.758 40 0 GFABRO COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000006288097 570740819 /nfs/dbraw/zinc/74/08/19/570740819.db2.gz FRWRZMUARJAUJO-UHFFFAOYSA-N 1 0 384.505 2.574 40 0 GFABRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2C)c(Br)cc1OCC(N)=O ZINC000036612921 570885427 /nfs/dbraw/zinc/88/54/27/570885427.db2.gz NPUKXFKRXBBWAV-RISCZKNCSA-N 1 0 385.302 2.990 40 0 GFABRO Cc1ccc(O[C@H](C)C(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)cc1 ZINC000019210825 570960386 /nfs/dbraw/zinc/96/03/86/570960386.db2.gz SBIWDTKVUAMUSE-QGZVFWFLSA-N 1 0 394.519 2.946 40 0 GFABRO Cc1cccc(OC(C)(C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)c1 ZINC000019235137 570965371 /nfs/dbraw/zinc/96/53/71/570965371.db2.gz UBMFEUBGOUZGSZ-IBGZPJMESA-N 1 0 380.492 2.952 40 0 GFABRO Cc1cccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)c1 ZINC000019235136 570965613 /nfs/dbraw/zinc/96/56/13/570965613.db2.gz UBMFEUBGOUZGSZ-LJQANCHMSA-N 1 0 380.492 2.952 40 0 GFABRO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)no1 ZINC000019339102 570976643 /nfs/dbraw/zinc/97/66/43/570976643.db2.gz LFFHSGLBODOBDS-SFHVURJKSA-N 1 0 377.448 2.774 40 0 GFABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1)c1ccccn1 ZINC000019400506 570982519 /nfs/dbraw/zinc/98/25/19/570982519.db2.gz KURHUPKLZRHODK-WFXMLNOXSA-N 1 0 380.492 2.696 40 0 GFABRO C[C@H]1CCc2onc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@@H+](C)C4)c2C1 ZINC000019497126 570989838 /nfs/dbraw/zinc/98/98/38/570989838.db2.gz IDEOWRDIRPUADZ-GUYCJALGSA-N 1 0 381.480 2.555 40 0 GFABRO CCOc1ccc(CCC(=O)N2CCC[C@H](c3ncc4c(n3)CC[NH2+]C4)C2)cc1 ZINC000019533108 570999819 /nfs/dbraw/zinc/99/98/19/570999819.db2.gz AMJNARZMFLEFDP-SFHVURJKSA-N 1 0 394.519 2.860 40 0 GFABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)CCc4ccccc4F)C3)ncc2C1 ZINC000019590394 571017664 /nfs/dbraw/zinc/01/76/64/571017664.db2.gz BXWUTIHUGQVDAL-QGZVFWFLSA-N 1 0 382.483 2.942 40 0 GFABRO COc1cc(C[NH+]2CCC3(CC2)CNC(=O)c2ccccc2O3)cc(OC)c1 ZINC000019595094 571021039 /nfs/dbraw/zinc/02/10/39/571021039.db2.gz PGUSGZHRJITRAE-UHFFFAOYSA-N 1 0 382.460 2.861 40 0 GFABRO Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3[C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000019710997 571034569 /nfs/dbraw/zinc/03/45/69/571034569.db2.gz XRGVXBPEKKQLJD-KRWDZBQOSA-N 1 0 397.523 2.596 40 0 GFABRO CNc1nc(C2CC[NH+](CCc3ccccc3)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019711561 571035727 /nfs/dbraw/zinc/03/57/27/571035727.db2.gz NNXSFWTYGKOYGA-UHFFFAOYSA-N 1 0 393.535 2.845 40 0 GFABRO CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1cccs1)CCC2 ZINC000096056121 571098082 /nfs/dbraw/zinc/09/80/82/571098082.db2.gz CPFPIXKMICEEKZ-UWJYYQICSA-N 1 0 384.549 2.950 40 0 GFABRO COc1ccc2c3c1O[C@@H]1C4(CC[C@H]5[C@H](C2)[N@@H+](CC2CC2)CC[C@@]315)OCCO4 ZINC000005158831 204116405 /nfs/dbraw/zinc/11/64/05/204116405.db2.gz ZKNHXBONWOGIMA-KLDKWKSESA-N 1 0 383.488 2.888 40 0 GFABRO Cc1cc(C)[n+](-c2cccc(S(=O)(=O)NC3N=NC(=S)S3)c2)c(C)c1 ZINC000005260093 204121945 /nfs/dbraw/zinc/12/19/45/204121945.db2.gz AMBYQNLPDVUTBU-UHFFFAOYSA-O 1 0 393.539 2.830 40 0 GFABRO CC(=O)Nc1cccc(OCc2cccc(N3C(=N)NC(=[NH2+])NC3(C)C)c2)c1 ZINC000008672818 204283275 /nfs/dbraw/zinc/28/32/75/204283275.db2.gz WHSVABAIBQNZRR-UHFFFAOYSA-N 1 0 380.452 2.829 40 0 GFABRO COc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc2c1OCO2 ZINC000012089075 204371252 /nfs/dbraw/zinc/37/12/52/204371252.db2.gz VFDMEHRACQXZFG-AQKKSAQBSA-N 1 0 382.460 2.939 40 0 GFABRO COc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c1 ZINC000012181004 204378808 /nfs/dbraw/zinc/37/88/08/204378808.db2.gz GDLZXWLUADCOAV-AQKKSAQBSA-N 1 0 399.491 2.622 40 0 GFABRO C[NH+](C)[C@@H](CNC(=O)[C@]1(C)CC(c2ccccc2)=NO1)c1ccc2c(c1)OCO2 ZINC000012203671 204382640 /nfs/dbraw/zinc/38/26/40/204382640.db2.gz VJCPAESDNBZILW-AVRDEDQJSA-N 1 0 395.459 2.718 40 0 GFABRO C[C@@H]1Cc2cc(C(=O)N3CCc4nc([C@@H]5CCCC[NH2+]5)ncc4C3)ccc2O1 ZINC000019497963 204647481 /nfs/dbraw/zinc/64/74/81/204647481.db2.gz DTBKCMZUXJFLSG-KUHUBIRLSA-N 1 0 378.476 2.813 40 0 GFABRO Cc1ncsc1C(=O)NCCn1nc(-c2ccccc2F)cc1C[NH+](C)C ZINC000019562299 204656021 /nfs/dbraw/zinc/65/60/21/204656021.db2.gz KIWJQTNDDKBBIK-UHFFFAOYSA-N 1 0 387.484 2.946 40 0 GFABRO O[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1C[NH2+]Cc1cccnc1 ZINC000077262895 205036073 /nfs/dbraw/zinc/03/60/73/205036073.db2.gz SMIWJKGOKVPEJR-JAXLGGSGSA-N 1 0 379.460 2.977 40 0 biogenic,in-vitro GFABRO [NH3+][C@H](C(=O)N1CCC(c2cc(Nc3ccccn3)n[nH]2)CC1)c1ccccc1 ZINC000072360776 205334887 /nfs/dbraw/zinc/33/48/87/205334887.db2.gz VKPUWQKODAYLQW-FQEVSTJZSA-N 1 0 376.464 2.954 40 0 GFABRO CNc1cc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)nc(CN(C)C(C)=O)n1 ZINC000072370155 205335552 /nfs/dbraw/zinc/33/55/52/205335552.db2.gz FWWXEMZEECSGAQ-LJQANCHMSA-N 1 0 381.524 2.919 40 0 GFABRO COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc2O1 ZINC000225901552 206083555 /nfs/dbraw/zinc/08/35/55/206083555.db2.gz MNZJUSUFFPHZGL-WIYYLYMNSA-N 1 0 394.471 2.866 40 0 GFABRO COCC[N@H+](C)C[C@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc3[nH]ccc3c1)C2 ZINC000247972164 206134862 /nfs/dbraw/zinc/13/48/62/206134862.db2.gz HSGRKVMRIIHTOE-JTSKRJEESA-N 1 0 385.508 2.757 40 0 GFABRO Cc1c(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@@H+]3C)sc2ncn(C)c(=O)c12 ZINC000257200417 206156964 /nfs/dbraw/zinc/15/69/64/206156964.db2.gz ADFYYJVTBKJHLG-XOBRGWDASA-N 1 0 388.537 2.782 40 0 GFABRO CC[C@H]([NH3+])C(=O)N1CC[C@@H]2O[C@@H]3c4ccc(OC)cc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257206126 206158759 /nfs/dbraw/zinc/15/87/59/206158759.db2.gz BBYYSLGYQMQCHN-DMXCXFHSSA-N 1 0 388.508 2.898 40 0 GFABRO CC[N@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000257306306 206177165 /nfs/dbraw/zinc/17/71/65/206177165.db2.gz STTPRSHOYRFTAT-QHCPKHFHSA-N 1 0 397.519 2.595 40 0 GFABRO C[NH+](C)CC(=O)N1CC[C@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 ZINC000257313762 206177760 /nfs/dbraw/zinc/17/77/60/206177760.db2.gz UUAFHPMMILUZIX-LBPRGKRZSA-N 1 0 394.401 2.512 40 0 GFABRO Cc1ncc(-c2ccc(C[C@@H]3CCC[N@H+](CC4(O)CCOCC4)C3)cn2)n1C ZINC000257223950 206162951 /nfs/dbraw/zinc/16/29/51/206162951.db2.gz DZQJMDIUUBGDLH-IBGZPJMESA-N 1 0 384.524 2.587 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)N2CC[NH+](C(C)C)CC2)[C@@H]1c1ccccc1OC ZINC000257261776 206167293 /nfs/dbraw/zinc/16/72/93/206167293.db2.gz LITHMCKADDKLAE-NQIIRXRSSA-N 1 0 387.524 2.547 40 0 GFABRO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@H+](CC1CC1)C[C@@H]2c1cccnc1 ZINC000306140246 206204529 /nfs/dbraw/zinc/20/45/29/206204529.db2.gz UNVDHILINJPFTH-TZIWHRDSSA-N 1 0 383.517 2.750 40 0 GFABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cn1 ZINC000306142917 206206498 /nfs/dbraw/zinc/20/64/98/206206498.db2.gz XOBXXPYKTDDHQV-GOSISDBHSA-N 1 0 379.512 2.926 40 0 GFABRO O=C(COc1ccccc1)N1CCO[C@@]2(CCCC[C@H]2[NH2+]Cc2cccnc2)C1 ZINC000306143352 206207479 /nfs/dbraw/zinc/20/74/79/206207479.db2.gz XZZJACVFRWWJGY-GGAORHGYSA-N 1 0 395.503 2.790 40 0 GFABRO CC(=O)N1CCOC[C@]2(CC[C@H](C[NH2+]Cc3ccccc3C(F)(F)F)O2)C1 ZINC000306124988 206196672 /nfs/dbraw/zinc/19/66/72/206196672.db2.gz CDWVVCPGVMMEBC-AEFFLSMTSA-N 1 0 386.414 2.592 40 0 GFABRO CN1CC2(CC[NH+](Cc3cccnc3)CC2)c2nc(C(C)(C)C)ncc2C1=O ZINC000306126745 206198045 /nfs/dbraw/zinc/19/80/45/206198045.db2.gz FDVVLPPHAURZKG-UHFFFAOYSA-N 1 0 379.508 2.789 40 0 GFABRO O=C(NCc1cccnc1)c1ncc2n1C[C@H]1C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306129122 206199589 /nfs/dbraw/zinc/19/95/89/206199589.db2.gz HVCBCEUSPKROKP-IEBWSBKVSA-N 1 0 391.450 2.576 40 0 GFABRO CC[NH+](CC)CCCNC(=O)c1nc(-c2ccnn2C(C)C)n2ccncc12 ZINC000306131853 206200884 /nfs/dbraw/zinc/20/08/84/206200884.db2.gz KQYBMRGWKHXCGJ-UHFFFAOYSA-N 1 0 383.500 2.635 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccs3)C[C@H]1C2 ZINC000306133255 206200939 /nfs/dbraw/zinc/20/09/39/206200939.db2.gz MGUDTYBXZFRPQL-CABCVRRESA-N 1 0 379.489 2.896 40 0 GFABRO O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccncc2)CC1 ZINC000306135660 206202451 /nfs/dbraw/zinc/20/24/51/206202451.db2.gz OXBQXWISQVGJQT-UHFFFAOYSA-N 1 0 394.523 2.574 40 0 GFABRO O=C1CO[C@H]2C[N@@H+](Cc3c[nH]c4ccccc34)C[C@H]2N1Cc1ccc(F)cc1 ZINC000067897181 222167286 /nfs/dbraw/zinc/16/72/86/222167286.db2.gz JWPHLGPHPITXMG-RTWAWAEBSA-N 1 0 379.435 2.919 40 0 biogenic,in-vitro GFABRO [NH3+]C[C@@]1(CO)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218529768 553054043 /nfs/dbraw/zinc/05/40/43/553054043.db2.gz NSDWPWFPWWQESM-YESZJQIVSA-N 1 0 386.300 2.871 40 0 GFABRO COc1ccc2c3c1O[C@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)(C)O)C2 ZINC000034406449 560087109 /nfs/dbraw/zinc/08/71/09/560087109.db2.gz HXFDWGKUUFPMRG-CWMQWSEUSA-N 1 0 397.515 2.686 40 0 biogenic,in-vitro GFABRO COC(=O)c1ccc2c(c1)CCN(c1cc(C)[nH+]c(N[C@@H](CO)C(C)C)n1)C2 ZINC000329016436 570212581 /nfs/dbraw/zinc/21/25/81/570212581.db2.gz NGKFMRWIUQNWGQ-SFHVURJKSA-N 1 0 384.480 2.563 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2c(F)ccc(F)c2F)cc(-c2ccncc2)n1 ZINC000329022155 570213412 /nfs/dbraw/zinc/21/34/12/570213412.db2.gz OLGLBVXIIWGLLV-UHFFFAOYSA-N 1 0 388.397 2.517 40 0 GFABRO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NCC[NH+](C)C)nc(C3CC3)n1)C2 ZINC000329071800 570216906 /nfs/dbraw/zinc/21/69/06/570216906.db2.gz ZSUDXQOEFSYQAW-HNNXBMFYSA-N 1 0 381.524 2.944 40 0 GFABRO Cn1nc(C(=O)N2CCC[C@]3(C2)COCC[N@H+](CC2CC2)C3)c2ccccc21 ZINC000096228792 570221395 /nfs/dbraw/zinc/22/13/95/570221395.db2.gz RXKIBWDDAYBQNB-QFIPXVFZSA-N 1 0 382.508 2.538 40 0 GFABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244250 570223524 /nfs/dbraw/zinc/22/35/24/570223524.db2.gz POMVQNIOTSQTOU-OAQYLSRUSA-N 1 0 377.448 2.817 40 0 GFABRO CCN1C[C@]2(CC1=O)CN(C(=O)C(C)C)CC[N@H+](Cc1ccc(C)s1)C2 ZINC000097952787 570261462 /nfs/dbraw/zinc/26/14/62/570261462.db2.gz RXXMMQACVFTBDX-HXUWFJFHSA-N 1 0 377.554 2.595 40 0 GFABRO C[C@@H]1CC[N@H+](CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCN1C ZINC000022588531 570322109 /nfs/dbraw/zinc/32/21/09/570322109.db2.gz DXHCKJUCLLXPRL-HXUWFJFHSA-N 1 0 396.531 2.882 40 0 GFABRO COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000031075439 570502600 /nfs/dbraw/zinc/50/26/00/570502600.db2.gz VBNIOGMKZUVGAX-UHFFFAOYSA-N 1 0 390.505 2.778 40 0 GFABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000101370364 570715305 /nfs/dbraw/zinc/71/53/05/570715305.db2.gz FIYSNFKLNQPDMP-CEXWTWQISA-N 1 0 396.535 2.803 40 0 GFABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2C)c(C)c1 ZINC000010111640 570781976 /nfs/dbraw/zinc/78/19/76/570781976.db2.gz WGGOHHXSXPMLIE-UHFFFAOYSA-N 1 0 389.521 2.704 40 0 GFABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1 ZINC000585100262 570923856 /nfs/dbraw/zinc/92/38/56/570923856.db2.gz JDRQVBWUEDYOCU-HSZRJFAPSA-N 1 0 399.535 2.665 40 0 GFABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H]4CO)C3)CC2)cc1F ZINC000585104899 570934217 /nfs/dbraw/zinc/93/42/17/570934217.db2.gz WJZJLGLGULKKHW-OALUTQOASA-N 1 0 390.499 2.602 40 0 GFABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000585105156 570934653 /nfs/dbraw/zinc/93/46/53/570934653.db2.gz ZSFRHAZVJLQPFO-SFHVURJKSA-N 1 0 378.538 2.651 40 0 GFABRO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000585106309 570936266 /nfs/dbraw/zinc/93/62/66/570936266.db2.gz QROVNEITNYHZBZ-RTWAWAEBSA-N 1 0 389.499 2.539 40 0 GFABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000585106312 570936458 /nfs/dbraw/zinc/93/64/58/570936458.db2.gz SEJPQSXDYPFOBN-SXLOBPIMSA-N 1 0 383.536 2.836 40 0 GFABRO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000585109793 570938617 /nfs/dbraw/zinc/93/86/17/570938617.db2.gz URAPNRKVMLTZQX-QNWVGRARSA-N 1 0 380.488 2.736 40 0 GFABRO COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](C[N@@H+]3CC3CCCCC3)C2)c1 ZINC000585107895 570939783 /nfs/dbraw/zinc/93/97/83/570939783.db2.gz CQQMRIZIHURUTE-FXAWDEMLSA-N 1 0 378.538 2.970 40 0 GFABRO COc1cccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019079280 570955738 /nfs/dbraw/zinc/95/57/38/570955738.db2.gz RLWPNOPZVHVDIG-QRWLVFNGSA-N 1 0 396.491 2.652 40 0 GFABRO CC(=O)NCCn1nc([C@H]2CC[N@H+](Cc3ccc(C)c(C)c3)C2)c2nccnc21 ZINC000019213926 570961296 /nfs/dbraw/zinc/96/12/96/570961296.db2.gz LRNALZJKJIVDSZ-IBGZPJMESA-N 1 0 392.507 2.569 40 0 GFABRO COc1ccc(CC[NH2+]Cc2cc3cc(C)ccc3n3nnnc23)cc1OC ZINC000019221197 570962738 /nfs/dbraw/zinc/96/27/38/570962738.db2.gz HKQZGGHLPLPUQL-UHFFFAOYSA-N 1 0 377.448 2.935 40 0 GFABRO Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019236042 570966579 /nfs/dbraw/zinc/96/65/79/570966579.db2.gz LFBDPYHAELTWKF-GOSISDBHSA-N 1 0 394.519 2.866 40 0 GFABRO Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C(C)C)CC2 ZINC000019237067 570966962 /nfs/dbraw/zinc/96/69/62/570966962.db2.gz DHMATQGMYYVBSO-HXUWFJFHSA-N 1 0 394.519 2.751 40 0 GFABRO COc1cccc(C[N@@H+]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1OC ZINC000019239186 570968415 /nfs/dbraw/zinc/96/84/15/570968415.db2.gz SLPMWGBHFGUDMX-HNNXBMFYSA-N 1 0 381.436 2.842 40 0 GFABRO Cc1nc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@@H+](C)C4)ccc2n1C ZINC000019286519 570969569 /nfs/dbraw/zinc/96/95/69/570969569.db2.gz FEBBBCGNZZCGSB-FQEVSTJZSA-N 1 0 390.491 2.637 40 0 GFABRO O=C(c1cc(C2CC[NH+](Cc3cccc(F)c3)CC2)no1)N1CCC[C@@H](O)C1 ZINC000019293793 570973242 /nfs/dbraw/zinc/97/32/42/570973242.db2.gz BGMQHBFNTMPFGB-GOSISDBHSA-N 1 0 387.455 2.790 40 0 GFABRO O=C(Nc1ccccc1C[NH+]1CCCCCC1)c1cc2ncc(CCO)cn2n1 ZINC000019349117 570978805 /nfs/dbraw/zinc/97/88/05/570978805.db2.gz OLYFFRQMLNCJMS-UHFFFAOYSA-N 1 0 393.491 2.892 40 0 GFABRO O=C(CCn1cnc2ccccc21)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019376698 570982203 /nfs/dbraw/zinc/98/22/03/570982203.db2.gz OSVSBAQWOMZGFK-IBGZPJMESA-N 1 0 390.491 2.616 40 0 GFABRO CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)[nH]n1 ZINC000019447407 570984261 /nfs/dbraw/zinc/98/42/61/570984261.db2.gz YAXULIYNOJXTMZ-IBGZPJMESA-N 1 0 382.512 2.754 40 0 GFABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1 ZINC000019448299 570984936 /nfs/dbraw/zinc/98/49/36/570984936.db2.gz HPFMJTIDJJHBJI-GOSISDBHSA-N 1 0 384.455 2.653 40 0 GFABRO CC(C)[N@H+]1CCc2nc3cc(C(=O)N4CCC[C@H](C)C4)ccc3c(=O)n2CC1 ZINC000019496477 570989324 /nfs/dbraw/zinc/98/93/24/570989324.db2.gz SGOVPTADLNHBAA-INIZCTEOSA-N 1 0 382.508 2.535 40 0 GFABRO COc1ccc(OC)c(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)c1 ZINC000019551064 571000833 /nfs/dbraw/zinc/00/08/33/571000833.db2.gz CKVRBQAOSFYMPI-GOSISDBHSA-N 1 0 382.464 2.507 40 0 GFABRO COc1cc2c(cc1OC)[C@@H](c1cc3cc4c(cc3[nH]c1=O)OCO4)[NH2+]CC2 ZINC000019550706 571000859 /nfs/dbraw/zinc/00/08/59/571000859.db2.gz BABRKXAUXXTHBB-FQEVSTJZSA-N 1 0 380.400 2.509 40 0 GFABRO Cc1c(C[N@H+]2CCC[C@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)cnn1C ZINC000019553650 571002094 /nfs/dbraw/zinc/00/20/94/571002094.db2.gz UOSKGSDQLDNTMQ-KRWDZBQOSA-N 1 0 385.512 2.968 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1OC ZINC000019560834 571005535 /nfs/dbraw/zinc/00/55/35/571005535.db2.gz YQLRXRUOAUIFNF-KRWDZBQOSA-N 1 0 392.459 2.839 40 0 GFABRO COc1cccc(C[NH+]2CCC(c3cc(C(=O)N4CCC[C@H](O)C4)on3)CC2)c1 ZINC000019564902 571006821 /nfs/dbraw/zinc/00/68/21/571006821.db2.gz ZPBJIOQGENTYQT-SFHVURJKSA-N 1 0 399.491 2.660 40 0 GFABRO COc1cccc(C[NH+]2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)c1 ZINC000019564915 571006853 /nfs/dbraw/zinc/00/68/53/571006853.db2.gz XWHVZBCVYUIJLR-GOSISDBHSA-N 1 0 399.491 2.972 40 0 GFABRO COc1cccc([C@H]2CN(C(=O)COc3ccc(F)cc3)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019566414 571008133 /nfs/dbraw/zinc/00/81/33/571008133.db2.gz WYOYMGWHLPEWOJ-KCZVDYSFSA-N 1 0 384.451 2.960 40 0 GFABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCC[N@H+](C)C4)ncc3C2)n1 ZINC000019572956 571010767 /nfs/dbraw/zinc/01/07/67/571010767.db2.gz RAUMBXGHZARRDO-ROUUACIJSA-N 1 0 396.539 2.635 40 0 GFABRO CN(C)c1cccc(C(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c1 ZINC000019590695 571018647 /nfs/dbraw/zinc/01/86/47/571018647.db2.gz PTXHRILZJVERMV-UHFFFAOYSA-N 1 0 379.508 2.550 40 0 GFABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccoc1)CC3 ZINC000096036323 571096166 /nfs/dbraw/zinc/09/61/66/571096166.db2.gz JJITZYSDJBPLBS-WMZHIEFXSA-N 1 0 399.535 2.856 40 0 GFABRO Cn1cc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc2O3)cn1 ZINC000096053423 571098079 /nfs/dbraw/zinc/09/80/79/571098079.db2.gz DKNOERAYLLUZQH-GOSISDBHSA-N 1 0 394.519 2.990 40 0 GFABRO CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccc(C)o1)CCC2 ZINC000096056057 571098136 /nfs/dbraw/zinc/09/81/36/571098136.db2.gz QZXPRXVVQQJGSR-UWJYYQICSA-N 1 0 384.480 2.660 40 0 GFABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409057017 231152084 /nfs/dbraw/zinc/15/20/84/231152084.db2.gz GDQDXBILACAHPI-NAGXTHEASA-O 1 0 388.422 2.842 40 0 GFABRO COc1cc2c(cc1OC)CN(c1cc(C)[nH+]c(N[C@H](CO)C(C)C)n1)CC2 ZINC000329013963 203769804 /nfs/dbraw/zinc/76/98/04/203769804.db2.gz MSTOPXAPMLIYCE-QGZVFWFLSA-N 1 0 386.496 2.794 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccncc2)n1 ZINC000329038601 203770059 /nfs/dbraw/zinc/77/00/59/203770059.db2.gz RSVHRVRPVHHNMC-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO Cc1cc2c(cc1Cl)C=CC1(CC[NH+](CC(=O)N3CCOCC3)CC1)O2 ZINC000012187972 204380082 /nfs/dbraw/zinc/38/00/82/204380082.db2.gz APNIOWAGBMOYOQ-UHFFFAOYSA-N 1 0 376.884 2.747 40 0 GFABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]C[C@@H]3COCCO3)cc12 ZINC000012186383 204380299 /nfs/dbraw/zinc/38/02/99/204380299.db2.gz KLYHFBZALZIBIE-QGZVFWFLSA-N 1 0 396.491 2.516 40 0 GFABRO O=C(Cc1c[nH]c2ccccc12)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019376008 204641602 /nfs/dbraw/zinc/64/16/02/204641602.db2.gz KAABPYQQGMLECR-HNNXBMFYSA-N 1 0 375.476 2.552 40 0 GFABRO Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019569749 204658346 /nfs/dbraw/zinc/65/83/46/204658346.db2.gz HWHAFWVCNSMBSX-ZWKOTPCHSA-N 1 0 394.519 2.913 40 0 GFABRO Cc1c2ccccc2oc1C(=O)N1CCc2nnc([C@H]3CCCC[NH2+]3)n2CC1 ZINC000072372817 205337931 /nfs/dbraw/zinc/33/79/31/205337931.db2.gz XEQUBSIZCNWILX-MRXNPFEDSA-N 1 0 379.464 2.846 40 0 GFABRO CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CC[NH+](CC3CC3)CC2)C1 ZINC000072372430 205338315 /nfs/dbraw/zinc/33/83/15/205338315.db2.gz SALASTHEATXZON-NRFANRHFSA-N 1 0 397.563 2.933 40 0 GFABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000225618553 206060008 /nfs/dbraw/zinc/06/00/08/206060008.db2.gz FCUDICJRXRDPNG-INIZCTEOSA-N 1 0 382.526 2.715 40 0 GFABRO NC(=O)c1sc2ncccc2c1[C@@H]1CCCN(C(=O)C[NH+]2CCCCC2)C1 ZINC000257204218 206159893 /nfs/dbraw/zinc/15/98/93/206159893.db2.gz ATOOHGJXDMABLV-CQSZACIVSA-N 1 0 386.521 2.587 40 0 GFABRO CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Nc3nccs3)cc(C)[nH+]2)C1 ZINC000257223143 206161251 /nfs/dbraw/zinc/16/12/51/206161251.db2.gz DWBXVHIFKXNJJW-AWEZNQCLSA-N 1 0 395.554 2.966 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)N2CC[NH+](C(C)C)CC2)[C@@H]1c1ccccc1F ZINC000257215855 206161875 /nfs/dbraw/zinc/16/18/75/206161875.db2.gz CRYHGIWLWNZHFH-XLIONFOSSA-N 1 0 375.488 2.678 40 0 GFABRO O=C(c1cc(C2CC2)on1)N1CCO[C@]2(CCCC[C@H]2[NH2+]Cc2cccnc2)C1 ZINC000306126819 206197895 /nfs/dbraw/zinc/19/78/95/206197895.db2.gz FGBOWWCWZXPYSO-IFMALSPDSA-N 1 0 396.491 2.891 40 0 GFABRO O=C(NCC1CC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccsc2)CC1 ZINC000306130210 206199251 /nfs/dbraw/zinc/19/92/51/206199251.db2.gz IZGQVHIIAJSYKL-UHFFFAOYSA-N 1 0 385.537 2.708 40 0 GFABRO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000306130013 206199768 /nfs/dbraw/zinc/19/97/68/206199768.db2.gz ITYQRUFEZCBNLH-MRXNPFEDSA-N 1 0 381.455 2.950 40 0 GFABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccco3)C[C@@H]1C2 ZINC000306131087 206201351 /nfs/dbraw/zinc/20/13/51/206201351.db2.gz JWDBWYNCCMBXFT-UONOGXRCSA-N 1 0 381.411 2.567 40 0 GFABRO COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](CC3CC3)CC2)C1 ZINC000306136299 206203577 /nfs/dbraw/zinc/20/35/77/206203577.db2.gz PPDQUNWHMRTXSR-UHFFFAOYSA-N 1 0 399.470 2.867 40 0 GFABRO COc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1C ZINC000117540560 136192246 /nfs/dbraw/zinc/19/22/46/136192246.db2.gz FJZWXQQINKYMGB-UHFFFAOYSA-N 1 0 389.521 2.865 40 0 GFABRO COc1ccc2c3c1O[C@@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)(C)O)C2 ZINC000166641571 560044309 /nfs/dbraw/zinc/04/43/09/560044309.db2.gz HXFDWGKUUFPMRG-VWUQPSBSSA-N 1 0 397.515 2.686 40 0 biogenic,in-vitro GFABRO O=C1N[C@]2(C[NH+]3CCC2CC3)C(=O)N1CN(Cc1ccccc1)c1ccccc1 ZINC000001585466 560182716 /nfs/dbraw/zinc/18/27/16/560182716.db2.gz CHPHBKYGPSWUQY-QHCPKHFHSA-N 1 0 390.487 2.667 40 0 in-vitro GFABRO O=C(c1cnc2ccccc2c1)N1CCC[C@@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075564 570210052 /nfs/dbraw/zinc/21/00/52/570210052.db2.gz BPEQGNLDTATMLY-FDDCHVKYSA-N 1 0 395.503 2.578 40 0 GFABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)cc1F ZINC000096080850 570210076 /nfs/dbraw/zinc/21/00/76/570210076.db2.gz WMXUYNRALCOTFV-CALCHBBNSA-N 1 0 390.480 2.587 40 0 GFABRO c1cncc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CCCCC3)n2)c1 ZINC000328999989 570211486 /nfs/dbraw/zinc/21/14/86/570211486.db2.gz JXYISSKHGVJFSM-UHFFFAOYSA-N 1 0 380.540 2.929 40 0 GFABRO C[NH+](C)CCNc1nc(NCc2cccc(Cl)c2)cc(-c2ccccn2)n1 ZINC000329017482 570212685 /nfs/dbraw/zinc/21/26/85/570212685.db2.gz NMQWNCPKIQMGQA-UHFFFAOYSA-N 1 0 382.899 2.621 40 0 GFABRO Cn1nc(C(=O)N2CCC[C@@]3(C2)COCC[N@H+](CC2CC2)C3)c2ccccc21 ZINC000096228793 570221421 /nfs/dbraw/zinc/22/14/21/570221421.db2.gz RXKIBWDDAYBQNB-JOCHJYFZSA-N 1 0 382.508 2.538 40 0 GFABRO CC(C)NC(=O)c1cc2c(nc1N(C)C)CC[N@H+](CCc1ccccc1)CC2 ZINC000096260342 570225385 /nfs/dbraw/zinc/22/53/85/570225385.db2.gz CNZCKYOKSKOZBM-UHFFFAOYSA-N 1 0 380.536 2.929 40 0 GFABRO Cc1cc(C)cc(OC[C@@]2(O)C[N@H+](CC3(O)CCCCCC3)CC[C@@H]2O)c1 ZINC000585288073 570258997 /nfs/dbraw/zinc/25/89/97/570258997.db2.gz VLYMCZNCUOEMGC-UNMCSNQZSA-N 1 0 377.525 2.565 40 0 GFABRO Cc1cccnc1Nc1cc(C[C@@H]2CCCN(C(=O)/C=C/C[NH+](C)C)C2)ncn1 ZINC000585291280 570259818 /nfs/dbraw/zinc/25/98/18/570259818.db2.gz ANPJWAKIEZEGLZ-YOCVDRLZSA-N 1 0 394.523 2.823 40 0 GFABRO Cc1cccc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)ncn2)n1 ZINC000585292018 570261026 /nfs/dbraw/zinc/26/10/26/570261026.db2.gz IGQJCHQDGOCJLG-WGLAMXGCSA-N 1 0 394.523 2.823 40 0 GFABRO CCC(=O)N1CCc2cc(S(=O)(=O)NCCC[NH+]3CCCCCC3)ccc21 ZINC000222801521 570426361 /nfs/dbraw/zinc/42/63/61/570426361.db2.gz MRDZBUNXMYRITP-UHFFFAOYSA-N 1 0 393.553 2.530 40 0 GFABRO COc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000026780939 570428568 /nfs/dbraw/zinc/42/85/68/570428568.db2.gz HNNUHKGIGFXJNI-GOSISDBHSA-N 1 0 376.884 2.911 40 0 GFABRO C[C@](O)(c1ccccc1)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)[NH+]1CCOCC1 ZINC000019367099 570596093 /nfs/dbraw/zinc/59/60/93/570596093.db2.gz MFDVLMOVSSULIJ-SMIHKQSGSA-N 1 0 396.531 2.668 40 0 GFABRO CCC[N@@H+]1C[C@H](NC(=O)Cc2ccc3c(c2)OCO3)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364772 570646723 /nfs/dbraw/zinc/64/67/23/570646723.db2.gz KFOYXHFCBZKNLV-UXHICEINSA-N 1 0 396.487 2.961 40 0 GFABRO COc1cc(OC)cc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000008215713 570765387 /nfs/dbraw/zinc/76/53/87/570765387.db2.gz HAKZDLGABUKOFJ-HXUWFJFHSA-N 1 0 393.443 2.649 40 0 GFABRO CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000014607416 570893023 /nfs/dbraw/zinc/89/30/23/570893023.db2.gz KIEPQVIROGFTKR-IAQYHMDHSA-N 1 0 399.274 2.900 40 0 GFABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@@H](O)C4)C3)CC2)cc1F ZINC000585103018 570931646 /nfs/dbraw/zinc/93/16/46/570931646.db2.gz BHGBGFTZRMXRGX-MOPGFXCFSA-N 1 0 390.499 2.602 40 0 GFABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[NH+]4CCC(O)CC4)C3)CC2)cc1F ZINC000585104599 570933494 /nfs/dbraw/zinc/93/34/94/570933494.db2.gz RAVUGLDNRRTFMI-LJQANCHMSA-N 1 0 390.499 2.602 40 0 GFABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000585106311 570936334 /nfs/dbraw/zinc/93/63/34/570936334.db2.gz SEJPQSXDYPFOBN-RLLQIKCJSA-N 1 0 383.536 2.836 40 0 GFABRO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]21 ZINC000585109796 570938722 /nfs/dbraw/zinc/93/87/22/570938722.db2.gz VDCVYPRRYNTXRO-JAXLGGSGSA-N 1 0 384.451 2.737 40 0 GFABRO O=C(C1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019014526 570954161 /nfs/dbraw/zinc/95/41/61/570954161.db2.gz IFKPUVIUSVTEBX-MRXNPFEDSA-N 1 0 384.524 2.577 40 0 GFABRO C[NH+](C)CCCN1CN=C2N[C@@H]([C@@H]3CC=CCC3)n3c4ccccc4nc3N2C1 ZINC000226313276 570954167 /nfs/dbraw/zinc/95/41/67/570954167.db2.gz ORVHXKLXMVAFGK-YLJYHZDGSA-N 1 0 393.539 2.839 40 0 GFABRO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019078495 570955794 /nfs/dbraw/zinc/95/57/94/570955794.db2.gz RPDOHJNRDBCLNW-HZPDHXFCSA-N 1 0 398.482 2.777 40 0 GFABRO CC(C)c1cc(C(=O)N2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cs1 ZINC000019452172 570985531 /nfs/dbraw/zinc/98/55/31/570985531.db2.gz ZIGXTIHELRLRJY-ZDUSSCGKSA-N 1 0 384.509 2.600 40 0 GFABRO CC(C)c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(N3CCCC3=O)cc1)CC2 ZINC000019453759 570986613 /nfs/dbraw/zinc/98/66/13/570986613.db2.gz UKENSTYUDIQRMI-UHFFFAOYSA-N 1 0 380.492 2.621 40 0 GFABRO C[C@H]1Cc2cc(C(=O)N3CCc4nc([C@H]5CCCC[NH2+]5)ncc4C3)ccc2O1 ZINC000019497966 570990317 /nfs/dbraw/zinc/99/03/17/570990317.db2.gz DTBKCMZUXJFLSG-IFXJQAMLSA-N 1 0 378.476 2.813 40 0 GFABRO CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019499440 570992162 /nfs/dbraw/zinc/99/21/62/570992162.db2.gz UCKNEPMFCDSGBT-QZTJIDSGSA-N 1 0 384.455 2.783 40 0 GFABRO CC[NH+]1CCN(CCCNc2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 ZINC000019528194 570998124 /nfs/dbraw/zinc/99/81/24/570998124.db2.gz OBVTZGGLTZYQLP-UHFFFAOYSA-N 1 0 393.495 2.633 40 0 GFABRO CC[NH+]1CCN(c2ncc(-c3cccc(OC)c3)c(-c3nccn3C)n2)CC1 ZINC000019528254 570998273 /nfs/dbraw/zinc/99/82/73/570998273.db2.gz UWBUPCYBJGTZTR-UHFFFAOYSA-N 1 0 378.480 2.695 40 0 GFABRO CCOc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)cc1 ZINC000019532823 570999328 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396.539 2.635 40 0 GFABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)CCn1cccn1)Cc1ccccc1O2 ZINC000019583996 571014801 /nfs/dbraw/zinc/01/48/01/571014801.db2.gz SUMRLIZKWIMXKP-UHFFFAOYSA-N 1 0 382.508 2.937 40 0 GFABRO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCCN1CCOCC1 ZINC000019590178 571016973 /nfs/dbraw/zinc/01/69/73/571016973.db2.gz QDDOWJWSEWKEEQ-CQOQZXRMSA-N 1 0 399.579 2.968 40 0 GFABRO c1ccc2[nH]c(C[C@H]3CCC[N@H+](Cc4ccnc(N5CCOCC5)n4)C3)nc2c1 ZINC000019657873 571024537 /nfs/dbraw/zinc/02/45/37/571024537.db2.gz RDBMPZKJVUTKEL-QGZVFWFLSA-N 1 0 392.507 2.644 40 0 GFABRO Cc1nc(CN2CCN(C)C3(CC[NH+](Cc4ccsc4)CC3)C2=O)cs1 ZINC000096050104 571097106 /nfs/dbraw/zinc/09/71/06/571097106.db2.gz IKRXBDQOKAGCFZ-UHFFFAOYSA-N 1 0 390.578 2.822 40 0 GFABRO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)Nc2cc(C)on2)CC1 ZINC000004580354 204054587 /nfs/dbraw/zinc/05/45/87/204054587.db2.gz COQALBCHIFJTBO-UHFFFAOYSA-N 1 0 385.464 2.909 40 0 GFABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)c2ccc3ncccc3c2)CC1 ZINC000035291328 204155866 /nfs/dbraw/zinc/15/58/66/204155866.db2.gz JDQZGOHVRIZVOS-IBGZPJMESA-N 1 0 379.512 2.703 40 0 GFABRO Cc1ccc2oc(=O)n(CC(=O)NC[C@H](c3ccccc3F)[NH+]3CCCC3)c2c1 ZINC000012200954 204381911 /nfs/dbraw/zinc/38/19/11/204381911.db2.gz GAIMKZCCHOMHJL-LJQANCHMSA-N 1 0 397.450 2.995 40 0 GFABRO COc1cccc(C2(O)CC[NH+](CCNC(=O)Cc3ccc(C)cc3)CC2)c1 ZINC000012326284 204397956 /nfs/dbraw/zinc/39/79/56/204397956.db2.gz XGLICQOLMYHKRS-UHFFFAOYSA-N 1 0 382.504 2.646 40 0 GFABRO O=c1oc(-c2cccs2)nn1CC1(O)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019344751 204638901 /nfs/dbraw/zinc/63/89/01/204638901.db2.gz TXIKIZCNRBYIDR-HNNXBMFYSA-N 1 0 375.494 2.748 40 0 GFABRO COc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)CC2=O)cc1 ZINC000019556344 204654623 /nfs/dbraw/zinc/65/46/23/204654623.db2.gz TVKNLRTVRVWBOP-MOPGFXCFSA-N 1 0 399.535 2.915 40 0 GFABRO CCc1ccccc1NC(=O)C[C@H]1N=C(NC(=[NH2+])Nc2ccccc2)NC1=O ZINC000022607364 204784282 /nfs/dbraw/zinc/78/42/82/204784282.db2.gz MRUHUAGJGQENFA-MRXNPFEDSA-N 1 0 378.436 2.909 40 0 GFABRO CCN(CC1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1)C(=O)OCc1ccccc1 ZINC000079413354 205061146 /nfs/dbraw/zinc/06/11/46/205061146.db2.gz RXXVEHRWLHXGSU-IBGZPJMESA-N 1 0 375.513 2.867 40 0 GFABRO CCN(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079393318 205061367 /nfs/dbraw/zinc/06/13/67/205061367.db2.gz DBYWCRSHESOZFO-OALUTQOASA-N 1 0 375.513 2.867 40 0 GFABRO CC[NH+]1CCC(CC(=O)N2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)CC1 ZINC000072374431 205338506 /nfs/dbraw/zinc/33/85/06/205338506.db2.gz RJPBAZKLXFDYMU-UHFFFAOYSA-N 1 0 386.540 2.611 40 0 GFABRO Cc1cc(C)cc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000072390949 205341188 /nfs/dbraw/zinc/34/11/88/205341188.db2.gz MRCBNJSGXHQYFB-IAGOWNOFSA-N 1 0 380.492 2.523 40 0 GFABRO Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000072390950 205342320 /nfs/dbraw/zinc/34/23/20/205342320.db2.gz MRCBNJSGXHQYFB-IRXDYDNUSA-N 1 0 380.492 2.523 40 0 GFABRO CCN1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1ccoc1)CC2 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COUZUQDGJBPGEU-UHFFFAOYSA-N 1 0 385.487 2.784 40 0 GFABRO O=C1N(CC2CC2)CCO[C@@]12C[N@H+](Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306128073 206199729 /nfs/dbraw/zinc/19/97/29/206199729.db2.gz GPHRUCIVJDEBJQ-TZIWHRDSSA-N 1 0 383.517 2.750 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C(C)=O)cc1 ZINC000096050146 136183382 /nfs/dbraw/zinc/18/33/82/136183382.db2.gz PWHPAHJULAFVRP-HSZRJFAPSA-N 1 0 393.487 2.535 40 0 GFABRO CN(C)C(=O)[C@]12C[N@H+](Cc3cccc(Cl)c3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251157 136185676 /nfs/dbraw/zinc/18/56/76/136185676.db2.gz ICGWCGNKOMVNGH-WIYYLYMNSA-N 1 0 399.926 2.689 40 0 GFABRO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000105331219 533997374 /nfs/dbraw/zinc/99/73/74/533997374.db2.gz WLVUQSJTGVXEDH-HXUWFJFHSA-N 1 0 377.444 2.949 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c(F)c2)cc(C(F)(F)F)n1 ZINC000329006828 570211899 /nfs/dbraw/zinc/21/18/99/570211899.db2.gz LGPRVTZBANIMFP-UHFFFAOYSA-N 1 0 375.345 2.725 40 0 GFABRO CSc1ccccc1Nc1cc(-c2cccnc2)nc(NCC[NH+](C)C)n1 ZINC000329042583 570214485 /nfs/dbraw/zinc/21/44/85/570214485.db2.gz SOKIJPMBZFDFDB-UHFFFAOYSA-N 1 0 380.521 2.821 40 0 GFABRO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(NCc3ccco3)nc12 ZINC000096244214 570223538 /nfs/dbraw/zinc/22/35/38/570223538.db2.gz IIHJBTYHCOJUTN-OAQYLSRUSA-N 1 0 395.463 2.960 40 0 GFABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000020105644 570239733 /nfs/dbraw/zinc/23/97/33/570239733.db2.gz BDPYAAFNWLNOJI-SFHVURJKSA-N 1 0 382.526 2.547 40 0 GFABRO CC(=O)N1CC[N@@H+](C2CCCCCC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585284692 570253887 /nfs/dbraw/zinc/25/38/87/570253887.db2.gz ZAAOSVBDEFTKMS-OAQYLSRUSA-N 1 0 378.488 2.823 40 0 GFABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)CC3=CCCOC3)CC2)nn1C ZINC000100687634 570274614 /nfs/dbraw/zinc/27/46/14/570274614.db2.gz DHYVXMABIDGJFU-PUZFROQSSA-N 1 0 388.556 2.951 40 0 GFABRO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](CCCc2ccccc2)CC[C@@]1(C)O ZINC000604382370 570353482 /nfs/dbraw/zinc/35/34/82/570353482.db2.gz PLPVTHQDPLTIIS-KMDXXIMOSA-N 1 0 396.531 2.948 40 0 biogenic,in-vitro GFABRO O=C(NC1CCCCC1)NC1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000004356358 570421285 /nfs/dbraw/zinc/42/12/85/570421285.db2.gz NYYWDZXFMPIOHW-SFHVURJKSA-N 1 0 376.545 2.628 40 0 GFABRO O=S(=O)(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000026842951 570429406 /nfs/dbraw/zinc/42/94/06/570429406.db2.gz OKZYYSVHCCAWED-UHFFFAOYSA-N 1 0 388.489 2.532 40 0 GFABRO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cnc(N(C)C)nc2)C3)cc1 ZINC000012361658 570645702 /nfs/dbraw/zinc/64/57/02/570645702.db2.gz VKAVXIZDPXYJMJ-QIDMFYOTSA-N 1 0 382.508 2.671 40 0 GFABRO Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1F)[C@@H](C[NH+](C)C)CO2 ZINC000012406648 570653983 /nfs/dbraw/zinc/65/39/83/570653983.db2.gz LCMBQPPTXNFUIF-INIZCTEOSA-N 1 0 378.469 2.648 40 0 GFABRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000101370362 570715468 /nfs/dbraw/zinc/71/54/68/570715468.db2.gz FIYSNFKLNQPDMP-OTWHNJEPSA-N 1 0 396.535 2.803 40 0 GFABRO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2C)c1 ZINC000013670170 570770497 /nfs/dbraw/zinc/77/04/97/570770497.db2.gz CTPXZHGLIWZKQZ-UHFFFAOYSA-N 1 0 389.521 2.704 40 0 GFABRO CC(C)(C)OC(=O)N1CCC([C@@H]([NH3+])CNC(=O)OCc2ccccc2)CC1 ZINC000409433428 570775714 /nfs/dbraw/zinc/77/57/14/570775714.db2.gz RQWWMTQCKQYEOG-KRWDZBQOSA-N 1 0 377.485 2.887 40 0 GFABRO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCC[NH+](C)C)ccc2C)cc1 ZINC000010329934 570789244 /nfs/dbraw/zinc/78/92/44/570789244.db2.gz WERVWMMJZSAKJB-UHFFFAOYSA-N 1 0 389.521 2.786 40 0 GFABRO CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)C1 ZINC000014607412 570893062 /nfs/dbraw/zinc/89/30/62/570893062.db2.gz ONYCNNRYPLGFAB-CZUORRHYSA-N 1 0 378.856 2.555 40 0 GFABRO Cc1cccc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103669 570929246 /nfs/dbraw/zinc/92/92/46/570929246.db2.gz IAJKDPGQRAJEKT-HLAWJBBLSA-N 1 0 386.536 2.709 40 0 GFABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccs2)CC1 ZINC000585106281 570936286 /nfs/dbraw/zinc/93/62/86/570936286.db2.gz NEYCLNTUSSROSE-OAGGEKHMSA-N 1 0 375.538 2.589 40 0 GFABRO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(OC)ccc3F)C[C@@H]21 ZINC000585109615 570938233 /nfs/dbraw/zinc/93/82/33/570938233.db2.gz FBXCBGHQAKJEAF-CNNODRBYSA-N 1 0 384.451 2.867 40 0 GFABRO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)no1 ZINC000019339098 570976572 /nfs/dbraw/zinc/97/65/72/570976572.db2.gz LFFHSGLBODOBDS-GOSISDBHSA-N 1 0 377.448 2.774 40 0 GFABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21)c1csc2c1CCCC2 ZINC000019346782 570978318 /nfs/dbraw/zinc/97/83/18/570978318.db2.gz AWQLPLDGWNDDEI-CQSZACIVSA-N 1 0 395.532 2.879 40 0 GFABRO OC1(c2ccccn2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cnc(N3CCCCC3)nc1)C2 ZINC000019401113 570982971 /nfs/dbraw/zinc/98/29/71/570982971.db2.gz JDJDYCZHWJXEGX-DETIRCLXSA-N 1 0 393.535 2.982 40 0 GFABRO CC(C)[NH+]1CCC(C(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)CC1 ZINC000019447767 570984379 /nfs/dbraw/zinc/98/43/79/570984379.db2.gz CVDCQZDPJRLABI-UHFFFAOYSA-N 1 0 382.508 2.750 40 0 GFABRO CC(C)C[N@@H+]1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019447195 570984572 /nfs/dbraw/zinc/98/45/72/570984572.db2.gz OVIIRBADKTYCMM-LJQANCHMSA-N 1 0 384.528 2.726 40 0 GFABRO CCn1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C ZINC000019523943 570996431 /nfs/dbraw/zinc/99/64/31/570996431.db2.gz YYGCXNQRHMSLEF-KRWDZBQOSA-N 1 0 384.528 2.665 40 0 GFABRO CCCn1nc(C)c(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)c1C ZINC000019525849 570997434 /nfs/dbraw/zinc/99/74/34/570997434.db2.gz RAMPQOGQPNYVNZ-FDFHNCONSA-N 1 0 382.552 2.772 40 0 GFABRO CNC(=O)c1cnn2c1nccc2C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000585182409 571000066 /nfs/dbraw/zinc/00/00/66/571000066.db2.gz LBVPZBGSOJJCJC-UHFFFAOYSA-N 1 0 388.475 2.950 40 0 GFABRO CCCN1CCN(C(=O)C[NH3+])C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183572 571000746 /nfs/dbraw/zinc/00/07/46/571000746.db2.gz BXEBAFWXIBAZNJ-NRFANRHFSA-N 1 0 379.504 2.552 40 0 GFABRO Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)c(C)c1C ZINC000019556139 571003522 /nfs/dbraw/zinc/00/35/22/571003522.db2.gz NKJCJEADZXZPHI-ORAYPTAESA-N 1 0 382.512 2.559 40 0 GFABRO COc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019558960 571004421 /nfs/dbraw/zinc/00/44/21/571004421.db2.gz IPADJSMQJDVYNT-CYBMUJFWSA-N 1 0 399.882 2.682 40 0 GFABRO COc1cc(C)c(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cc1OC ZINC000019567094 571008064 /nfs/dbraw/zinc/00/80/64/571008064.db2.gz JMLXGFHLHDHSIB-UHFFFAOYSA-N 1 0 392.459 2.716 40 0 GFABRO Cc1noc(C)c1S(=O)(=O)N1CC[C@H](c2ccccc2)[C@H]2[NH2+]CCCC[C@H]21 ZINC000019581111 571013086 /nfs/dbraw/zinc/01/30/86/571013086.db2.gz PXMCRTJGBBSZLF-GUDVDZBRSA-N 1 0 389.521 2.980 40 0 GFABRO Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019581447 571013599 /nfs/dbraw/zinc/01/35/99/571013599.db2.gz XWSGQKKUKXVFSU-HXUWFJFHSA-N 1 0 393.466 2.957 40 0 GFABRO COCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)no1 ZINC000019593567 571019775 /nfs/dbraw/zinc/01/97/75/571019775.db2.gz QFZAPTSLCGOJTQ-KRWDZBQOSA-N 1 0 394.475 2.979 40 0 GFABRO O=C(N1CCC(c2nnc3n2CC[NH2+]CC3)CC1)C1(c2ccccc2)CCCC1 ZINC000019709447 571034292 /nfs/dbraw/zinc/03/42/92/571034292.db2.gz VDPRPFQOALUNIS-UHFFFAOYSA-N 1 0 393.535 2.642 40 0 GFABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCn2c(nnc2[C@H]2CCC[N@@H+](C)C2)C1 ZINC000019710991 571034627 /nfs/dbraw/zinc/03/46/27/571034627.db2.gz PSQIZKMVIHAZAX-AWEZNQCLSA-N 1 0 396.470 2.672 40 0 GFABRO CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000096036767 571096335 /nfs/dbraw/zinc/09/63/35/571096335.db2.gz VKOPYHNKXFWKMH-KRWDZBQOSA-N 1 0 388.537 2.607 40 0 GFABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409057018 231152075 /nfs/dbraw/zinc/15/20/75/231152075.db2.gz GDQDXBILACAHPI-UGYRXPJGSA-O 1 0 388.422 2.842 40 0 GFABRO O=C1CC2(CCCC2)CC(=O)N1CCCC[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000003995603 204023098 /nfs/dbraw/zinc/02/30/98/204023098.db2.gz HCVRCHQFYYZPHT-QGZVFWFLSA-N 1 0 386.492 2.906 40 0 in-vitro GFABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)CC1 ZINC000006517664 204183191 /nfs/dbraw/zinc/18/31/91/204183191.db2.gz LFZYMXVDMLWXDM-UHFFFAOYSA-N 1 0 382.533 2.884 40 0 GFABRO CC(=O)N1CCc2cc([C@@H](O)C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000012146648 204376007 /nfs/dbraw/zinc/37/60/07/204376007.db2.gz NGRQSZLYZPFODB-QFIPXVFZSA-N 1 0 398.478 2.752 40 0 GFABRO Cc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)C[N@H+](Cc1ccccc1)CC2 ZINC000012158350 204376665 /nfs/dbraw/zinc/37/66/65/204376665.db2.gz WFCAVMYUTVKPKP-UHFFFAOYSA-N 1 0 394.519 2.559 40 0 GFABRO Cc1nnc(SCC(=O)NC2CC[NH+](CC3(c4ccccc4)CC3)CC2)o1 ZINC000012337257 204399687 /nfs/dbraw/zinc/39/96/87/204399687.db2.gz NTERSHIWVFVFHM-UHFFFAOYSA-N 1 0 386.521 2.783 40 0 GFABRO COc1ccc([C@@H](O)C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC ZINC000012188399 204379440 /nfs/dbraw/zinc/37/94/40/204379440.db2.gz AAGWMJJXSISQLQ-FQEVSTJZSA-N 1 0 398.503 2.865 40 0 GFABRO CCn1cc([C@H](O)C[NH+]2CCN(c3cc(C)nc(C)n3)CC2)c2ccccc21 ZINC000012222313 204385065 /nfs/dbraw/zinc/38/50/65/204385065.db2.gz SWKCLWVICFVSTP-OAQYLSRUSA-N 1 0 379.508 2.924 40 0 GFABRO CCOc1cc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4ccccn4)n3)C2)ccc1O ZINC000012275491 204388052 /nfs/dbraw/zinc/38/80/52/204388052.db2.gz MKBYGCBZKBBJCS-KRWDZBQOSA-N 1 0 394.479 2.752 40 0 GFABRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)cc1 ZINC000020494295 204723147 /nfs/dbraw/zinc/72/31/47/204723147.db2.gz WXHPWQOKFYFAPW-UHFFFAOYSA-N 1 0 395.912 2.741 40 0 GFABRO CCc1nc2nc3ccn(CCC[NH+](C)C)c(=O)c3c(-c3ccccc3)n2n1 ZINC000038828710 205038260 /nfs/dbraw/zinc/03/82/60/205038260.db2.gz SEEDWWVHLPILOH-UHFFFAOYSA-N 1 0 376.464 2.620 40 0 GFABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000044948586 205090852 /nfs/dbraw/zinc/09/08/52/205090852.db2.gz IHWJLTHAMFANQE-KRWDZBQOSA-N 1 0 393.553 2.746 40 0 GFABRO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC(O)(c2cccnc2F)CC1 ZINC000072340025 205327458 /nfs/dbraw/zinc/32/74/58/205327458.db2.gz KFTZFIBSKSGPRJ-UHFFFAOYSA-N 1 0 387.455 2.923 40 0 GFABRO Cc1ccc([C@@H](C)CC[N@@H+]2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)o1 ZINC000247892784 206136070 /nfs/dbraw/zinc/13/60/70/206136070.db2.gz GGFJRLASEJGKRN-CZTZKLFOSA-N 1 0 392.540 2.664 40 0 GFABRO Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)C3(C)CC[NH+](C)CC3)C2)n1 ZINC000257231952 206162098 /nfs/dbraw/zinc/16/20/98/206162098.db2.gz GIUZAPSXUQHAEG-KRWDZBQOSA-N 1 0 397.523 2.871 40 0 GFABRO CC(=O)NCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@@H]2Cc1ccccc1 ZINC000257208207 206159659 /nfs/dbraw/zinc/15/96/59/206159659.db2.gz BLDQNEHAYRORIH-HVJVJISESA-N 1 0 383.536 2.598 40 0 GFABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(S(=O)(=O)N(C)C)C2)[nH+]1 ZINC000257301129 206175629 /nfs/dbraw/zinc/17/56/29/206175629.db2.gz RXCPTDUMTOKJDV-AWEZNQCLSA-N 1 0 378.473 2.868 40 0 GFABRO C[NH+](C)CCNC(=O)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1 ZINC000257320756 206177730 /nfs/dbraw/zinc/17/77/30/206177730.db2.gz VYMDLHTVODXTDT-UHFFFAOYSA-N 1 0 385.483 2.905 40 0 GFABRO O=C(CO)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)c(F)c1)C[N@@H+]2Cc1ccccc1 ZINC000257319231 206178195 /nfs/dbraw/zinc/17/81/95/206178195.db2.gz VRKDMQZBSCXKOT-WFXMLNOXSA-N 1 0 386.442 2.774 40 0 GFABRO CC(=O)N[C@]12C[N@H+](Cc3ccccc3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257275841 206170912 /nfs/dbraw/zinc/17/09/12/206170912.db2.gz NREFPMQDBKDQCR-WXFUMESZSA-N 1 0 391.515 2.987 40 0 GFABRO Cn1cc(CN2CCC[C@]3(C2)C[N@H+](C)Cc2c(-c4ccccc4)ncn23)cn1 ZINC000306143189 206206226 /nfs/dbraw/zinc/20/62/26/206206226.db2.gz XVNOKLACECYZDA-JOCHJYFZSA-N 1 0 376.508 2.720 40 0 GFABRO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306124013 206197261 /nfs/dbraw/zinc/19/72/61/206197261.db2.gz BDBPGRQWSJNXBW-CABCVRRESA-N 1 0 385.899 2.518 40 0 GFABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306131808 206201148 /nfs/dbraw/zinc/20/11/48/206201148.db2.gz KQAVRXRYFIRLOA-KRWDZBQOSA-N 1 0 381.455 2.695 40 0 GFABRO CC(=O)Nc1ccc(C[N@@H+]2CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C2)cc1 ZINC000072389573 136169147 /nfs/dbraw/zinc/16/91/47/136169147.db2.gz LKVLJUUEFGGIMM-OAHLLOKOSA-N 1 0 395.507 2.523 40 0 GFABRO COc1cccc([C@@H]2c3cc4c(cc3O[C@H]([NH2+]CCO)[C@@H]2C)OCO4)c1OC ZINC000073257550 222268376 /nfs/dbraw/zinc/26/83/76/222268376.db2.gz CKUCWPTUZQKDGP-RHZWSATBSA-N 1 0 387.432 2.501 40 0 GFABRO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](CC2CCCCC2)CC[C@@]1(C)O ZINC000514289703 560031778 /nfs/dbraw/zinc/03/17/78/560031778.db2.gz BPWUVHNKJYJBAX-SLFFLAALSA-N 1 0 380.554 2.957 40 0 biogenic,in-vitro GFABRO Cc1nc(N)c2ccc([C@H]3CCC[N@@H+](CC(=O)N(C)C4CCCCC4)C3)nc2n1 ZINC000019743317 570212490 /nfs/dbraw/zinc/21/24/90/570212490.db2.gz IAJVUPMYCGDHCO-INIZCTEOSA-N 1 0 396.539 2.886 40 0 GFABRO Cn1c2cc(C(=O)NCC[NH+]3CCCC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096146318 570213785 /nfs/dbraw/zinc/21/37/85/570213785.db2.gz ZEBSRPHNXNBFJH-UHFFFAOYSA-N 1 0 388.475 2.738 40 0 GFABRO Cn1c2ccc(NC(=O)CC3CC[NH+](Cc4ccccn4)CC3)cc2oc1=O ZINC000019748848 570214685 /nfs/dbraw/zinc/21/46/85/570214685.db2.gz JCJVKTYEKZVFGS-UHFFFAOYSA-N 1 0 380.448 2.767 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2c(F)cc(F)cc2F)cc(-c2cccnc2)n1 ZINC000329047102 570214815 /nfs/dbraw/zinc/21/48/15/570214815.db2.gz UETKWSAJUVWZLJ-UHFFFAOYSA-N 1 0 388.397 2.517 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000329068265 570216318 /nfs/dbraw/zinc/21/63/18/570216318.db2.gz YNVATMSYVPJMSX-UHFFFAOYSA-N 1 0 386.862 2.892 40 0 GFABRO C[NH+](C)CCNC(=O)c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12 ZINC000096154847 570216636 /nfs/dbraw/zinc/21/66/36/570216636.db2.gz XMLCMLUOIZEXAM-UHFFFAOYSA-N 1 0 392.488 2.811 40 0 GFABRO Cc1nc([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)ncc1C(=O)N1CCCCC1 ZINC000019765635 570217158 /nfs/dbraw/zinc/21/71/58/570217158.db2.gz XPGLHBFCAKSPLX-LJQANCHMSA-N 1 0 399.539 2.561 40 0 GFABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](CNc4ccc(C)nn4)CO3)C2)s1 ZINC000096240540 570222192 /nfs/dbraw/zinc/22/21/92/570222192.db2.gz WTKUHAUXRWMBPI-XLIONFOSSA-N 1 0 388.537 2.875 40 0 GFABRO O[C@@]1(C[NH2+]Cc2ccc(OCc3ccccn3)cc2)CCN(c2ccccn2)C1 ZINC000585271286 570239600 /nfs/dbraw/zinc/23/96/00/570239600.db2.gz VZEQIWCXORUYJT-HSZRJFAPSA-N 1 0 390.487 2.787 40 0 GFABRO COc1ccc2c3c1O[C@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(C)=O)C2 ZINC000001639160 570266432 /nfs/dbraw/zinc/26/64/32/570266432.db2.gz KRWAWNXEYPCCLG-JOKRRQDLSA-N 1 0 383.488 2.729 40 0 GFABRO CC[NH+](CC)CCOC(=O)C(O)(c1ccccc1OC)c1ccccc1OC ZINC000001710832 570267379 /nfs/dbraw/zinc/26/73/79/570267379.db2.gz MAIYPMKEVOCXDV-UHFFFAOYSA-N 1 0 387.476 2.825 40 0 GFABRO COC(=O)C[C@@]1(C)[NH2+][C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000216598299 570303443 /nfs/dbraw/zinc/30/34/43/570303443.db2.gz NFQOYGSKVUFULD-ISHFTEKXSA-N 1 0 392.455 2.767 40 0 GFABRO CC(C)(C)C[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382612 570353717 /nfs/dbraw/zinc/35/37/17/570353717.db2.gz URGORGLYIPMNMS-HNBVOPMISA-N 1 0 387.499 2.819 40 0 biogenic,in-vitro GFABRO COc1ccc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)c(OC)c1 ZINC000225213061 570556564 /nfs/dbraw/zinc/55/65/64/570556564.db2.gz HFWWEJJURDRAJW-UHFFFAOYSA-N 1 0 379.526 2.634 40 0 GFABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=S)NC)cc2c1 ZINC000004134164 570618553 /nfs/dbraw/zinc/61/85/53/570618553.db2.gz ZLNSQFSBUVDGBH-UHFFFAOYSA-N 1 0 390.553 2.575 40 0 GFABRO O=C1CCc2cc(S(=O)(=O)N3CCCC[C@@H]3C[NH+]3CCCCC3)ccc2N1 ZINC000012362454 570646057 /nfs/dbraw/zinc/64/60/57/570646057.db2.gz LAFMMOKWZIKUSQ-QGZVFWFLSA-N 1 0 391.537 2.600 40 0 GFABRO c1coc(Cn2nnnc2[C@H](c2ccccc2)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000019369661 570925287 /nfs/dbraw/zinc/92/52/87/570925287.db2.gz ULLKZKQJXJRTMU-NRFANRHFSA-N 1 0 392.507 2.964 40 0 GFABRO Cc1cccc(NC(=O)CCc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)c1 ZINC000016951319 570935782 /nfs/dbraw/zinc/93/57/82/570935782.db2.gz VORVOXAAGXTFNZ-UHFFFAOYSA-N 1 0 378.480 2.752 40 0 GFABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000585106032 570935993 /nfs/dbraw/zinc/93/59/93/570935993.db2.gz GFAGEKPXIQXZHI-LZQZEXGQSA-N 1 0 387.499 2.524 40 0 GFABRO O=C(c1cccs1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000585106249 570936377 /nfs/dbraw/zinc/93/63/77/570936377.db2.gz IERWUHWQSUCYNM-SJORKVTESA-N 1 0 387.549 2.591 40 0 GFABRO CC(C)CC[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCC3(CCOC3)CC2)C1 ZINC000585109447 570941563 /nfs/dbraw/zinc/94/15/63/570941563.db2.gz PPIUQHAAWAORCV-AQNXPRMDSA-N 1 0 378.557 2.789 40 0 GFABRO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019078096 570955364 /nfs/dbraw/zinc/95/53/64/570955364.db2.gz VUBRITNJHUERHP-HNNXBMFYSA-N 1 0 398.482 2.777 40 0 GFABRO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019078093 570955412 /nfs/dbraw/zinc/95/54/12/570955412.db2.gz VUBRITNJHUERHP-OAHLLOKOSA-N 1 0 398.482 2.777 40 0 GFABRO COc1cccc(C[N@@H+]2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1OC ZINC000019239185 570968313 /nfs/dbraw/zinc/96/83/13/570968313.db2.gz SLPMWGBHFGUDMX-OAHLLOKOSA-N 1 0 381.436 2.842 40 0 GFABRO O=C([C@H]1CC(=O)N(Cc2cccnc2)C1)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019338792 570976582 /nfs/dbraw/zinc/97/65/82/570976582.db2.gz SPQMOLBGUTZBLL-SFTDATJTSA-N 1 0 398.551 2.687 40 0 GFABRO COc1cc(C(=O)N2CC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000238874566 570981497 /nfs/dbraw/zinc/98/14/97/570981497.db2.gz NSLAIJNVHLOKGA-LJQANCHMSA-N 1 0 396.487 2.985 40 0 GFABRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CC[C@@H](Cn2cnnn2)CC1 ZINC000524732878 570981556 /nfs/dbraw/zinc/98/15/56/570981556.db2.gz WEURAJRNLFIZQK-HDICACEKSA-N 1 0 398.511 2.593 40 0 GFABRO O=C(COC[C@@H]1COc2ccccc2O1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019375743 570982064 /nfs/dbraw/zinc/98/20/64/570982064.db2.gz YQMTWXNASXQSRS-RBUKOAKNSA-N 1 0 388.508 2.710 40 0 GFABRO CCc1c(C)nc([C@H]2CCC[N@H+](Cc3cc4c(cc3OC)OCO4)C2)[nH]c1=O ZINC000019521543 570994649 /nfs/dbraw/zinc/99/46/49/570994649.db2.gz VGZSNTXMKBSMOP-AWEZNQCLSA-N 1 0 385.464 2.758 40 0 GFABRO CCOc1ncc(C2(O)CC[NH+](Cc3cccc(OC)c3)CC2)c(OCC)n1 ZINC000019531739 570998482 /nfs/dbraw/zinc/99/84/82/570998482.db2.gz RLOAGCWUWACVFQ-UHFFFAOYSA-N 1 0 387.480 2.766 40 0 GFABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)cc1 ZINC000019555155 571003074 /nfs/dbraw/zinc/00/30/74/571003074.db2.gz VCSWDTDOUOQIFC-KRWDZBQOSA-N 1 0 399.491 2.660 40 0 GFABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2cc(C(=O)N3CCC(O)CC3)on2)C1 ZINC000019570282 571009799 /nfs/dbraw/zinc/00/97/99/571009799.db2.gz SOJCDNKLNDMMOY-INIZCTEOSA-N 1 0 399.491 2.660 40 0 GFABRO Cc1nn(C)cc1C[NH+]1CCC([C@@H](NC(=O)C2CCC2)c2ccccn2)CC1 ZINC000019583758 571014793 /nfs/dbraw/zinc/01/47/93/571014793.db2.gz GRPRTHTXFIBDIZ-OAQYLSRUSA-N 1 0 381.524 2.993 40 0 GFABRO COc1ccc(OC)c(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c1 ZINC000019590431 571017857 /nfs/dbraw/zinc/01/78/57/571017857.db2.gz CQACSZQEPFLLJC-HNNXBMFYSA-N 1 0 396.491 2.502 40 0 GFABRO COc1ccc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@@H+](C)C4)[nH]c2c1 ZINC000019590549 571018155 /nfs/dbraw/zinc/01/81/55/571018155.db2.gz BQIGQRSISSGSME-FQEVSTJZSA-N 1 0 391.475 2.932 40 0 GFABRO Cc1cn2c(ncc(C(=O)Nc3cc(C)ccc3OCC[NH+](C)C)c2=O)s1 ZINC000019717149 571039035 /nfs/dbraw/zinc/03/90/35/571039035.db2.gz MWJYMBSXMPUTQR-UHFFFAOYSA-N 1 0 386.477 2.566 40 0 GFABRO CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccsc1)CCC2 ZINC000096056054 571097970 /nfs/dbraw/zinc/09/79/70/571097970.db2.gz FRCWCSMHJCYLLJ-PXNSSMCTSA-N 1 0 386.521 2.820 40 0 GFABRO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1ccccn1)CCC2 ZINC000096056047 571098044 /nfs/dbraw/zinc/09/80/44/571098044.db2.gz HVQAHSNQGHKAKQ-AVRDEDQJSA-N 1 0 380.492 2.758 40 0 GFABRO Cc1c(CCOC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc[n+]1Cc1cnc(C)nc1N ZINC000004748210 204073558 /nfs/dbraw/zinc/07/35/58/204073558.db2.gz CYBLJVGBDWMZJC-UXLLHSPISA-N 1 0 387.529 2.595 40 0 GFABRO O=C1N[C@@]2(C[NH+]3CCC2CC3)C(=O)N1CN(Cc1ccccc1)c1ccccc1 ZINC000005487148 204136051 /nfs/dbraw/zinc/13/60/51/204136051.db2.gz CHPHBKYGPSWUQY-HSZRJFAPSA-N 1 0 390.487 2.667 40 0 in-vitro GFABRO C[NH+]1CCC(N2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)CC1 ZINC000035425761 204194061 /nfs/dbraw/zinc/19/40/61/204194061.db2.gz SFWIWXHMMSLTMT-KRWDZBQOSA-N 1 0 379.468 2.548 40 0 biogenic,in-vitro GFABRO CCC[N@@H+]1C[C@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H](c2ccc(OC)cc2)C1 ZINC000012117073 204372301 /nfs/dbraw/zinc/37/23/01/204372301.db2.gz WJKAUCJLKDAMBH-QUCCMNQESA-N 1 0 382.508 2.905 40 0 GFABRO O=C(NCCc1nnc(-c2ccncc2)[nH]1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012115841 204373073 /nfs/dbraw/zinc/37/30/73/204373073.db2.gz BVAVAUJYNRQUQP-UHFFFAOYSA-N 1 0 390.491 2.825 40 0 GFABRO CCn1nc([C@@H](C)C(=O)N2CCC(CC[NH+](C)C)CC2)c2ccccc2c1=O ZINC000019660546 204667306 /nfs/dbraw/zinc/66/73/06/204667306.db2.gz ANZCAWGZIQQVOS-MRXNPFEDSA-N 1 0 384.524 2.710 40 0 GFABRO CCN(C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1)C(=O)OCc1ccccc1 ZINC000079413325 205060786 /nfs/dbraw/zinc/06/07/86/205060786.db2.gz CDLIHLGBXHENHR-OALUTQOASA-N 1 0 375.513 2.867 40 0 GFABRO COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC000072358997 205334056 /nfs/dbraw/zinc/33/40/56/205334056.db2.gz WJFQJDAEWXUESZ-GOSISDBHSA-N 1 0 380.492 2.954 40 0 GFABRO CNc1nc([C@H]2CCC[N@@H+]2CCc2ccccc2)nc2c1CCN(C(C)=O)C2 ZINC000072345870 205329183 /nfs/dbraw/zinc/32/91/83/205329183.db2.gz MYVCQTGAKRBVLJ-HXUWFJFHSA-N 1 0 379.508 2.803 40 0 GFABRO CNc1cc(Nc2nccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)ncn1 ZINC000072377653 205338867 /nfs/dbraw/zinc/33/88/67/205338867.db2.gz GGLQGWILAGNNLQ-OAHLLOKOSA-N 1 0 376.468 2.827 40 0 GFABRO CC(=O)N1CC[C@H](c2nn(CC[NH2+]Cc3ccccc3Cl)c3nccnc23)C1 ZINC000072391604 205340702 /nfs/dbraw/zinc/34/07/02/205340702.db2.gz QNEDGGXZVYAVTL-INIZCTEOSA-N 1 0 398.898 2.605 40 0 GFABRO Fc1ccc(-c2cc(CN3CC[NH+](C4CCCC4)CC3)c3nnnn3c2)cc1 ZINC000072392357 205341235 /nfs/dbraw/zinc/34/12/35/205341235.db2.gz WZIQDTQNCNZNCH-UHFFFAOYSA-N 1 0 380.471 2.991 40 0 GFABRO CN1C[C@H]([NH2+]CC2CC2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O ZINC000096113509 206117212 /nfs/dbraw/zinc/11/72/12/206117212.db2.gz DSSCLTIVLAXSQG-VQIMIIECSA-N 1 0 393.478 2.598 40 0 biogenic,in-vitro GFABRO [NH3+][C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCC(Cc2ccccc2)CC1 ZINC000257304533 206177426 /nfs/dbraw/zinc/17/74/26/206177426.db2.gz SMCIIAKCEOYZBY-LUKWVAJMSA-N 1 0 384.495 2.988 40 0 GFABRO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCC1)c1ccccc1F ZINC000257253033 206165841 /nfs/dbraw/zinc/16/58/41/206165841.db2.gz JXIJCZJXCVULSF-CGXNFDGLSA-N 1 0 384.451 2.601 40 0 GFABRO C[C@]12C[C@@H](Cc3ccccc3)[N@H+](CC(=O)N3CCCC3)[C@H]1CCCCC(=O)N2 ZINC000257283296 206170875 /nfs/dbraw/zinc/17/08/75/206170875.db2.gz OXRUPPYTRSAZNQ-QTEQDKRBSA-N 1 0 383.536 2.743 40 0 GFABRO C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)CCCNc3ncccn3)CC[C@H]21 ZINC000257274043 206170962 /nfs/dbraw/zinc/17/09/62/206170962.db2.gz NJIAONKLSBAEII-VAMGGRTRSA-N 1 0 379.508 2.615 40 0 GFABRO Cc1cccc(Nc2cc(C)[nH+]c(C3CCN(S(=O)(=O)N(C)C)CC3)c2)n1 ZINC000257336232 206181743 /nfs/dbraw/zinc/18/17/43/206181743.db2.gz YNPVIBFXVJLLJX-UHFFFAOYSA-N 1 0 389.525 2.823 40 0 GFABRO C[C@]12CC[N@H+](CC(N)=O)[C@H]1CCCCC(=O)N2Cc1cccc(C(F)(F)F)c1 ZINC000257330764 206179625 /nfs/dbraw/zinc/17/96/25/206179625.db2.gz XPVNZQKQGLLBNL-LPHOPBHVSA-N 1 0 397.441 2.926 40 0 GFABRO COCCOCC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@@H+]2C ZINC000257338063 206181150 /nfs/dbraw/zinc/18/11/50/206181150.db2.gz YVQJKGHVMVAMDW-MKQKURRLSA-N 1 0 386.536 2.734 40 0 GFABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccoc4)CC2)CN(C)C3)cc1 ZINC000306138196 206205634 /nfs/dbraw/zinc/20/56/34/206205634.db2.gz RSEFJGZTPAZCQY-UHFFFAOYSA-N 1 0 393.491 2.983 40 0 GFABRO O=C(c1cc(C2CC2)on1)N1CCO[C@@]2(CCCC[C@H]2[NH2+]Cc2cccnc2)C1 ZINC000306126820 206197945 /nfs/dbraw/zinc/19/79/45/206197945.db2.gz FGBOWWCWZXPYSO-IRLDBZIGSA-N 1 0 396.491 2.891 40 0 GFABRO CSc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1NC(C)=O ZINC000222716972 553055814 /nfs/dbraw/zinc/05/58/14/553055814.db2.gz ZLEWNNLLDGWYND-UHFFFAOYSA-N 1 0 385.555 2.521 40 0 GFABRO [NH3+]C[C@@]1(CO)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000252516348 553149629 /nfs/dbraw/zinc/14/96/29/553149629.db2.gz SDLAFJXOWAOMLD-ZACQAIPSSA-N 1 0 386.300 2.871 40 0 GFABRO COC(=O)c1ccc2c(c1)CCN(c1cc(C)[nH+]c(N[C@H](CO)C(C)C)n1)C2 ZINC000329016435 570212707 /nfs/dbraw/zinc/21/27/07/570212707.db2.gz NGKFMRWIUQNWGQ-GOSISDBHSA-N 1 0 384.480 2.563 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2F)cc(-c2cccnc2)n1 ZINC000329048293 570214827 /nfs/dbraw/zinc/21/48/27/570214827.db2.gz UJGUCHRHRMBMGW-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO O=C(c1cscn1)N1CCC2(CN(C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000096202447 570219082 /nfs/dbraw/zinc/21/90/82/570219082.db2.gz HVCRQUGREQHYNY-UHFFFAOYSA-N 1 0 396.560 2.956 40 0 GFABRO COc1ccc(C[NH+]2CCC3(C[C@H](NC(=O)c4ccccn4)CO3)CC2)cc1 ZINC000096221073 570219944 /nfs/dbraw/zinc/21/99/44/570219944.db2.gz SDLWMGBLIGFFLY-SFHVURJKSA-N 1 0 381.476 2.644 40 0 GFABRO COc1cccc(NC(=O)[C@H]2Cn3ccnc3C3(CC[NH+](CC(C)C)CC3)O2)c1 ZINC000096262966 570226661 /nfs/dbraw/zinc/22/66/61/570226661.db2.gz IAWVFPSNXITHAN-LJQANCHMSA-N 1 0 398.507 2.876 40 0 GFABRO CCOc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc(OCCCO)cc1 ZINC000585270418 570239270 /nfs/dbraw/zinc/23/92/70/570239270.db2.gz WCYRTZYMEHOTAI-LJQANCHMSA-N 1 0 389.492 2.718 40 0 GFABRO COc1cc(CNCC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1 ZINC000022075716 570321713 /nfs/dbraw/zinc/32/17/13/570321713.db2.gz GEBUBDWJNXUDKS-HNNXBMFYSA-N 1 0 378.900 2.988 40 0 GFABRO Cc1ccc(NC(=O)C[C@@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)c(C)c1 ZINC000022607406 570322890 /nfs/dbraw/zinc/32/28/90/570322890.db2.gz YREZKVCYESJWLS-INIZCTEOSA-N 1 0 378.436 2.963 40 0 GFABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 ZINC000223254454 570453437 /nfs/dbraw/zinc/45/34/37/570453437.db2.gz HEZUABSYFCHVGY-UXHICEINSA-N 1 0 392.532 2.801 40 0 GFABRO CC[N@H+](C)[C@@H]1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C2(C1)CCCCC2 ZINC000019704006 570896331 /nfs/dbraw/zinc/89/63/31/570896331.db2.gz JODYUUMDZLYGAU-SFHVURJKSA-N 1 0 392.565 2.888 40 0 GFABRO CC[NH+]1CCN([C@@H](c2nnnn2CCc2ccccc2)c2ccc(F)cc2)CC1 ZINC000019528007 570928235 /nfs/dbraw/zinc/92/82/35/570928235.db2.gz SQEGAQVJNXYMCQ-OAQYLSRUSA-N 1 0 394.498 2.782 40 0 GFABRO COC[C@@H]1CN(C(=O)c2ccsc2)CC12CC[NH+](C1CCOCC1)CC2 ZINC000585103897 570929523 /nfs/dbraw/zinc/92/95/23/570929523.db2.gz SYWURNPGTMLVFE-KRWDZBQOSA-N 1 0 378.538 2.728 40 0 GFABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccs2)CC1 ZINC000585106282 570936464 /nfs/dbraw/zinc/93/64/64/570936464.db2.gz NEYCLNTUSSROSE-XHSDSOJGSA-N 1 0 375.538 2.589 40 0 GFABRO O=C(C1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019014527 570954065 /nfs/dbraw/zinc/95/40/65/570954065.db2.gz IFKPUVIUSVTEBX-INIZCTEOSA-N 1 0 384.524 2.577 40 0 GFABRO Cc1ccc(-c2nnc(CNC(=O)c3ccc(N4CC[NH+](C)CC4)cc3)o2)s1 ZINC000019217932 570962419 /nfs/dbraw/zinc/96/24/19/570962419.db2.gz FCMHAGPRXCBCBS-UHFFFAOYSA-N 1 0 397.504 2.788 40 0 GFABRO CC(=O)NCCn1nc([C@H]2CC[N@H+](Cc3cccc(C)c3)C2)c2cccnc21 ZINC000019234945 570965468 /nfs/dbraw/zinc/96/54/68/570965468.db2.gz CRVQSFQOOCHHTA-IBGZPJMESA-N 1 0 377.492 2.865 40 0 GFABRO Cc1cccc(C[N@@H+]2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)COCCC(=O)N3)n1 ZINC000019236335 570966265 /nfs/dbraw/zinc/96/62/65/570966265.db2.gz IRNHPWCMNBQHSI-UWJYYQICSA-N 1 0 387.430 2.543 40 0 GFABRO Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019236043 570966280 /nfs/dbraw/zinc/96/62/80/570966280.db2.gz LFBDPYHAELTWKF-SFHVURJKSA-N 1 0 394.519 2.866 40 0 GFABRO CC(=O)N1CCc2nc(C3CC[NH+](CCOc4ccccc4C)CC3)ncc2C1 ZINC000019237414 570966667 /nfs/dbraw/zinc/96/66/67/570966667.db2.gz KHFBBTOOEQJEBC-UHFFFAOYSA-N 1 0 394.519 2.948 40 0 GFABRO Cc1ccccc1OCCC(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019237392 570966694 /nfs/dbraw/zinc/96/66/94/570966694.db2.gz VBZJSPXIARWELM-QGZVFWFLSA-N 1 0 380.492 2.606 40 0 GFABRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](C)Cn3nccc3C)CC2)cc1 ZINC000019238342 570967604 /nfs/dbraw/zinc/96/76/04/570967604.db2.gz ZEPQZWPFZFKNMC-KRWDZBQOSA-N 1 0 384.524 2.865 40 0 GFABRO O=C(c1cc(-c2ccccc2F)no1)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1 ZINC000019368334 570980019 /nfs/dbraw/zinc/98/00/19/570980019.db2.gz FMIWTOAHLHYNLZ-CYBMUJFWSA-N 1 0 393.422 2.546 40 0 GFABRO O=C(c1cc(-c2ccccc2F)no1)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019368332 570980218 /nfs/dbraw/zinc/98/02/18/570980218.db2.gz SEYKWYVLCVFFMS-QGZVFWFLSA-N 1 0 393.422 2.894 40 0 GFABRO CCCN1CC[N@H+](CCC(N)=O)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585172760 570997697 /nfs/dbraw/zinc/99/76/97/570997697.db2.gz JYMUQQWBQXQDEW-NRFANRHFSA-N 1 0 393.531 2.942 40 0 GFABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)c1 ZINC000019565118 571007514 /nfs/dbraw/zinc/00/75/14/571007514.db2.gz LGBURAPANSMIAJ-KRWDZBQOSA-N 1 0 399.491 2.660 40 0 GFABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NC4CC4)on3)C2)c1OC ZINC000019567824 571008874 /nfs/dbraw/zinc/00/88/74/571008874.db2.gz DOKRXHTWHRXIQR-AWEZNQCLSA-N 1 0 385.464 2.964 40 0 GFABRO Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019581450 571013412 /nfs/dbraw/zinc/01/34/12/571013412.db2.gz XWSGQKKUKXVFSU-FQEVSTJZSA-N 1 0 393.466 2.957 40 0 GFABRO C[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1c1cnc3cc(-c4cccc(F)c4)nn3c1C2 ZINC000019581744 571013619 /nfs/dbraw/zinc/01/36/19/571013619.db2.gz XHKDLNGKYJKCCU-QAPCUYQASA-N 1 0 379.439 2.685 40 0 GFABRO CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000019590932 571018449 /nfs/dbraw/zinc/01/84/49/571018449.db2.gz QLEZKCFRYDSIJT-HXUWFJFHSA-N 1 0 393.491 2.775 40 0 GFABRO Cc1c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cccc1N1CCOCC1 ZINC000019716340 571038190 /nfs/dbraw/zinc/03/81/90/571038190.db2.gz DVJLUKXJVTWWSN-UHFFFAOYSA-N 1 0 394.519 2.621 40 0 GFABRO CC1(C)[C@@]2(C(=O)NCC[NH3+])CC[C@]1(C)[C@H](OC(=O)C(Cl)(Cl)Cl)C2 ZINC000109274986 655144223 /nfs/dbraw/zinc/14/42/23/655144223.db2.gz RFTGQCIGPGBFLY-FZQKWOKYSA-N 1 0 385.719 2.560 40 0 GFABRO COC(=O)N1Cc2nnc(C)n2C2(CC[NH+](Cc3ccc(C)s3)CC2)C1 ZINC000306144993 209108908 /nfs/dbraw/zinc/10/89/08/209108908.db2.gz ZUBWELGYBJNTIK-UHFFFAOYSA-N 1 0 375.498 2.530 40 0 GFABRO Cc1nc(N2CCc3ccc(Br)cc3C2)cc(NCCCO)[nH+]1 ZINC000328974329 206239287 /nfs/dbraw/zinc/23/92/87/206239287.db2.gz FFQLVGROEKMDLQ-UHFFFAOYSA-N 1 0 377.286 2.905 40 0 GFABRO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@H]1C[N@@H+](Cc3cccs3)C[C@H]1C2 ZINC000306140049 209107191 /nfs/dbraw/zinc/10/71/91/209107191.db2.gz UIFQRKLAPBZBPY-YOEHRIQHSA-N 1 0 398.532 2.597 40 0 GFABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(Cc4ccccn4)CCN3C(C)(C)C2)cc1 ZINC000253403426 206283465 /nfs/dbraw/zinc/28/34/65/206283465.db2.gz PVEJNEQTVCGEDV-NRFANRHFSA-N 1 0 380.536 2.871 40 0 biogenic,in-vitro GFABRO COc1ccc2c3c1O[C@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@H](C(C)=O)C2 ZINC000001639161 206388001 /nfs/dbraw/zinc/38/80/01/206388001.db2.gz KRWAWNXEYPCCLG-KOCOEAGCSA-N 1 0 383.488 2.729 40 0 GFABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[NH+]3CCCCC3)CC1)N2 ZINC000019128728 207104169 /nfs/dbraw/zinc/10/41/69/207104169.db2.gz YKHYJOBAPZYDKK-DLBZAZTESA-N 1 0 395.498 2.906 40 0 GFABRO Cc1ccc([C@@H](C)C(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3cccnc32)cc1 ZINC000019136355 207104331 /nfs/dbraw/zinc/10/43/31/207104331.db2.gz ATGDIECVLGBIHI-SJLPKXTDSA-N 1 0 377.492 2.737 40 0 GFABRO Cc1nc(C)n(CCC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@H+]3C)n1 ZINC000019286003 207112571 /nfs/dbraw/zinc/11/25/71/207112571.db2.gz MPROMORZNQLCBI-SFHLNBCPSA-N 1 0 385.487 2.513 40 0 GFABRO COc1ccc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)cc1 ZINC000019291336 207113514 /nfs/dbraw/zinc/11/35/14/207113514.db2.gz WJGFBUXKBPZADL-JOCHJYFZSA-N 1 0 392.503 2.833 40 0 GFABRO Cn1nc(-c2cccnc2)cc1C[NH+]1CCC(NC(=O)C[C@H]2C=CCC2)CC1 ZINC000019288968 207113968 /nfs/dbraw/zinc/11/39/68/207113968.db2.gz WPPKLTOZBZDYSD-KRWDZBQOSA-N 1 0 379.508 2.919 40 0 GFABRO C[C@H]1Cc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@@H+](C)C4)ccc2O1 ZINC000019497940 207125110 /nfs/dbraw/zinc/12/51/10/207125110.db2.gz BRKMZUWTHFBZSO-LIRRHRJNSA-N 1 0 378.476 2.765 40 0 GFABRO CCc1c(C)nc([C@@H]2CCC[N@H+](Cc3cc4c(cc3OC)OCO4)C2)[nH]c1=O ZINC000019521542 207127049 /nfs/dbraw/zinc/12/70/49/207127049.db2.gz VGZSNTXMKBSMOP-CQSZACIVSA-N 1 0 385.464 2.758 40 0 GFABRO Cc1oc2c(c1C(=O)N1CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C1)CCCC2 ZINC000019581287 207139112 /nfs/dbraw/zinc/13/91/12/207139112.db2.gz FCIXVGODIDTUJY-OAHLLOKOSA-N 1 0 380.492 2.922 40 0 GFABRO CN(C)c1ncc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)cn1 ZINC000019585434 207139605 /nfs/dbraw/zinc/13/96/05/207139605.db2.gz ZNQHZPRGFWZSMD-ZCNNSNEGSA-N 1 0 397.498 2.822 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c(OC)c1 ZINC000019552204 207133357 /nfs/dbraw/zinc/13/33/57/207133357.db2.gz UNWMUYPBVGVDMH-KRWDZBQOSA-N 1 0 392.459 2.839 40 0 GFABRO COc1ccc(C)cc1N1C[C@H](C(=O)N2CCC(CC[NH+](C)C)CC2)CC1=O ZINC000019664911 207147260 /nfs/dbraw/zinc/14/72/60/207147260.db2.gz MJYKRKLKLSPVKW-GOSISDBHSA-N 1 0 387.524 2.547 40 0 GFABRO NC(=O)c1ccc(-c2ccc(C3CC[NH+](CC(=O)N4CCCC4)CC3)nc2)cc1 ZINC000019689036 207148875 /nfs/dbraw/zinc/14/88/75/207148875.db2.gz VQEKRPUVZNWFLA-UHFFFAOYSA-N 1 0 392.503 2.649 40 0 GFABRO CNc1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)CCc2ccc(OC)cc2)n1 ZINC000019709953 207152334 /nfs/dbraw/zinc/15/23/34/207152334.db2.gz NLVTZYXAHOKMKL-QGZVFWFLSA-N 1 0 397.523 2.585 40 0 GFABRO CC(C)n1c2c(nc1C(=O)N1CC[C@@H]([NH+](C)C)C1)CN(Cc1ccccc1)CC2 ZINC000096147138 208273611 /nfs/dbraw/zinc/27/36/11/208273611.db2.gz WSZGDTLVTVEXKN-LJQANCHMSA-N 1 0 395.551 2.798 40 0 GFABRO O=C([C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(F)cc3)CC2)O1)N1CCCC1 ZINC000096036828 208255601 /nfs/dbraw/zinc/25/56/01/208255601.db2.gz KKVOVGNAJUPGHT-IBGZPJMESA-N 1 0 398.482 2.535 40 0 GFABRO O=C(N[C@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)c1cnccn1 ZINC000096079847 208261708 /nfs/dbraw/zinc/26/17/08/208261708.db2.gz DYDJYXNEILHOJI-SFHVURJKSA-N 1 0 378.476 2.975 40 0 GFABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](CNc4ccc(C)nn4)CO3)C2)s1 ZINC000096240539 208293717 /nfs/dbraw/zinc/29/37/17/208293717.db2.gz WTKUHAUXRWMBPI-PXNSSMCTSA-N 1 0 388.537 2.875 40 0 GFABRO CN(C)C(=O)c1cc2c(nc1NCC1CC1)CC[N@H+](Cc1cccnc1)CC2 ZINC000096260572 208295549 /nfs/dbraw/zinc/29/55/49/208295549.db2.gz GKRNPPFZMOFITF-UHFFFAOYSA-N 1 0 379.508 2.601 40 0 GFABRO COc1ccc(C[NH+]2C[C@@H]3CN(C(=O)CCc4cccnc4)C[C@H]3C2)cc1F ZINC000096245540 208296330 /nfs/dbraw/zinc/29/63/30/208296330.db2.gz MCGKZBTZBNOGIT-RTBURBONSA-N 1 0 383.467 2.752 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](CCc3ccccc3)C[C@@H]1C2 ZINC000306138053 209104336 /nfs/dbraw/zinc/10/43/36/209104336.db2.gz RNUSJYDWUFQHLY-OALUTQOASA-N 1 0 387.487 2.877 40 0 GFABRO C[NH+](C)C[C@H]1CC[C@@]2(COCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)O1 ZINC000306138126 209104123 /nfs/dbraw/zinc/10/41/23/209104123.db2.gz RPVYTRKQMULVPO-UYAOXDASSA-N 1 0 392.927 2.710 40 0 GFABRO COc1ccc2nc3n(c2c1)[C@@H](C[NH2+]Cc1ccc(NC(C)=O)cc1)COC3 ZINC000096112636 209008372 /nfs/dbraw/zinc/00/83/72/209008372.db2.gz CXIZPDYXXZIMLM-KRWDZBQOSA-N 1 0 380.448 2.864 40 0 biogenic,in-vitro GFABRO CCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)CN(C)C(=O)C1 ZINC000096113422 209010452 /nfs/dbraw/zinc/01/04/52/209010452.db2.gz IYDKKCKJNGEEII-IEBWSBKVSA-N 1 0 377.504 2.801 40 0 biogenic,in-vitro GFABRO COC[C@H]1C[N@H+](Cc2ccsc2)CC12CCN(C(=O)c1cnoc1)CC2 ZINC000247829176 209027483 /nfs/dbraw/zinc/02/74/83/209027483.db2.gz GWXQEMGWUYSXPN-QGZVFWFLSA-N 1 0 375.494 2.737 40 0 GFABRO CCN1CC[N@H+](CCC(N)=O)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257202554 209055254 /nfs/dbraw/zinc/05/52/54/209055254.db2.gz AMHRPHSFWLZTJC-IBGZPJMESA-N 1 0 397.494 2.691 40 0 GFABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@]3(Cc4c(nc(N)nc4N)O3)CC2)cc1 ZINC000257246488 209060027 /nfs/dbraw/zinc/06/00/27/209060027.db2.gz IUHNSSAYCMUEEV-OAQYLSRUSA-N 1 0 383.496 2.788 40 0 GFABRO CC[N@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000257299465 209071793 /nfs/dbraw/zinc/07/17/93/209071793.db2.gz RQDTXIHHSJWHAE-QFIPXVFZSA-N 1 0 399.539 2.807 40 0 GFABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2c(C)nc(N4CCOCC4)nc23)cc1 ZINC000096244563 136185800 /nfs/dbraw/zinc/18/58/00/136185800.db2.gz MBQAQYFUUHLNCA-QHCPKHFHSA-N 1 0 394.519 2.604 40 0 GFABRO COc1ccccc1CCNC(=O)c1ccccc1-n1cc(C[NH+](C)C)cn1 ZINC000257330354 209077263 /nfs/dbraw/zinc/07/72/63/209077263.db2.gz XNZYDNXDOPRBJK-UHFFFAOYSA-N 1 0 378.476 2.915 40 0 GFABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000072345980 222232455 /nfs/dbraw/zinc/23/24/55/222232455.db2.gz UMZOYTIWHZKSBE-KRWDZBQOSA-N 1 0 388.475 2.599 40 0 GFABRO O=C(C[N@H+]1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCOCC1 ZINC000072348719 222234422 /nfs/dbraw/zinc/23/44/22/222234422.db2.gz JUUVNQJIKAWEMO-SFHVURJKSA-N 1 0 383.467 2.926 40 0 GFABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](CCOc4cccc(C)c4)C3)ncc2C1 ZINC000072390877 222246907 /nfs/dbraw/zinc/24/69/07/222246907.db2.gz DQYYJNVVXCENJI-LJQANCHMSA-N 1 0 394.519 2.948 40 0 GFABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cccc(Cl)c4)C[C@H]32)c(OC)n1 ZINC000072392587 222249526 /nfs/dbraw/zinc/24/95/26/222249526.db2.gz HKHGAQLKFOXYMO-JNAXZKDPSA-N 1 0 389.883 2.877 40 0 GFABRO CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C[NH3+])CO)cc1 ZINC000218566932 553053929 /nfs/dbraw/zinc/05/39/29/553053929.db2.gz JZWLTCJZSATAHA-OTWHNJEPSA-N 1 0 379.909 2.780 40 0 GFABRO COc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3cnccn3)no2)cc1 ZINC000015675472 560095676 /nfs/dbraw/zinc/09/56/76/560095676.db2.gz DXKUOPAXCOWOOA-SFHVURJKSA-N 1 0 389.419 2.558 40 0 biogenic,in-vitro GFABRO CC[C@@H]1C[N@@H+]2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000004692658 560199768 /nfs/dbraw/zinc/19/97/68/560199768.db2.gz DAXYUDFNWXHGBE-WMLLIFGASA-N 1 0 384.476 2.700 40 0 biogenic,in-vitro GFABRO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000585262194 570229509 /nfs/dbraw/zinc/22/95/09/570229509.db2.gz ZSCHSBBENQEAPS-CZYKHXBRSA-N 1 0 398.478 2.991 40 0 GFABRO CC(=O)N1CCCC[C@H]2[C@@H]1CC[N@@H+]2CC1(O)CCN(c2ccccc2F)CC1 ZINC000585282116 570249986 /nfs/dbraw/zinc/24/99/86/570249986.db2.gz AMWVIGGAXQRBJQ-SFTDATJTSA-N 1 0 389.515 2.632 40 0 GFABRO C[NH+](C)C/C=C/C(=O)N1CCC[C@H](Cc2cc(Nc3ccccn3)ncn2)C1 ZINC000585292555 570261950 /nfs/dbraw/zinc/26/19/50/570261950.db2.gz OLSSMGBXBAFKIW-RCMYXZNBSA-N 1 0 380.496 2.514 40 0 GFABRO Cc1ccc(F)c(C[NH+]2CCC3(CC2)C[C@@H](NS(=O)(=O)C2CC2)CCO3)c1 ZINC000108533682 570312985 /nfs/dbraw/zinc/31/29/85/570312985.db2.gz VSTYXIFRMWVEKS-KRWDZBQOSA-N 1 0 396.528 2.730 40 0 GFABRO COC(=O)C1=C(C(=O)OC)[C@@]2(c3ccccc3)c3ccccc3[C@@H]1[n+]1ccccc12 ZINC000005120979 570430083 /nfs/dbraw/zinc/43/00/83/570430083.db2.gz DKMUFSBYSWBWDW-DHLKQENFSA-N 1 0 398.438 2.868 40 0 GFABRO COc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)c2ccc([O-])c([S@](C)=O)c2)cc1 ZINC000005735014 570454143 /nfs/dbraw/zinc/45/41/43/570454143.db2.gz PAQZZCOZHPGCFW-VZOJFVKJSA-N 1 0 377.506 2.783 40 0 in-man GFABRO O=C1NCC2(CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)N1c1ccccc1 ZINC000005941814 570461965 /nfs/dbraw/zinc/46/19/65/570461965.db2.gz LDOBJJZKPRYYIQ-GOSISDBHSA-N 1 0 379.460 2.891 40 0 GFABRO CN1CCN(NC(=O)CSc2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000006490430 570481508 /nfs/dbraw/zinc/48/15/08/570481508.db2.gz HTUSJSXZKDRLJD-UHFFFAOYSA-N 1 0 393.516 2.668 40 0 GFABRO CSc1ccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)cc1NC(C)=O ZINC000224725098 570527024 /nfs/dbraw/zinc/52/70/24/570527024.db2.gz YMGRBMZFKJFJSV-UHFFFAOYSA-N 1 0 399.582 2.911 40 0 GFABRO CCn1c2ccc(S(=O)(=O)NCCC[NH+]3CCCCCC3)cc2sc1=O ZINC000225692264 570604240 /nfs/dbraw/zinc/60/42/40/570604240.db2.gz OTWIXPRUNGKJRV-UHFFFAOYSA-N 1 0 397.566 2.627 40 0 GFABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NCc3ccco3)c(=O)[nH]c2c1 ZINC000004133456 570618249 /nfs/dbraw/zinc/61/82/49/570618249.db2.gz OOUADEQPHRYYCQ-UHFFFAOYSA-N 1 0 398.532 2.868 40 0 GFABRO COc1cc2c(cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C)C1)CCCC2 ZINC000260746453 570702019 /nfs/dbraw/zinc/70/20/19/570702019.db2.gz XRPPJKPNDFOLHY-INIZCTEOSA-N 1 0 380.554 2.974 40 0 GFABRO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+](C)C)ccc2C)c1 ZINC000010111454 570781859 /nfs/dbraw/zinc/78/18/59/570781859.db2.gz VMOHTPPCXDFQPN-UHFFFAOYSA-N 1 0 389.521 2.786 40 0 GFABRO Clc1ncccc1-c1noc(CN2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000013992514 570869009 /nfs/dbraw/zinc/86/90/09/570869009.db2.gz POXXFUOLKONUNL-UHFFFAOYSA-N 1 0 391.903 2.719 40 0 GFABRO O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@]2(CC[N@@H+]2C[C@H]2CCCO2)C1 ZINC000585101710 570927225 /nfs/dbraw/zinc/92/72/25/570927225.db2.gz AOKZISPLNXBFRT-QAPCUYQASA-N 1 0 383.414 2.960 40 0 GFABRO C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccc2)CC3)C1 ZINC000585103099 570931509 /nfs/dbraw/zinc/93/15/09/570931509.db2.gz DAUUMTSXCGXEHK-MOPGFXCFSA-N 1 0 392.565 2.978 40 0 GFABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCC(=O)N(C)C)s1 ZINC000585104774 570933555 /nfs/dbraw/zinc/93/35/55/570933555.db2.gz MFDVSFMXPGAFID-QGZVFWFLSA-N 1 0 380.554 2.923 40 0 GFABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC000585106245 570936397 /nfs/dbraw/zinc/93/63/97/570936397.db2.gz ZATBMMSMDQQSQN-QGTPRVQTSA-N 1 0 387.524 2.595 40 0 GFABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000585106192 570936467 /nfs/dbraw/zinc/93/64/67/570936467.db2.gz BEPGMPGMSAIRTD-IPELMVKDSA-N 1 0 387.499 2.667 40 0 GFABRO COc1ccc(-c2coc3cc(OC(=O)[C@H](N)CCCC[NH3+])ccc3c2=O)cc1 ZINC000032109468 570961337 /nfs/dbraw/zinc/96/13/37/570961337.db2.gz WSXZMNZWXLNIPA-LJQANCHMSA-N 1 0 396.443 2.830 40 0 GFABRO O=C(COc1ccccc1)N1CCO[C@]2(CCCC[C@H]2[NH2+]Cc2cccnc2)C1 ZINC000306143351 209108251 /nfs/dbraw/zinc/10/82/51/209108251.db2.gz XZZJACVFRWWJGY-FYYLOGMGSA-N 1 0 395.503 2.790 40 0 GFABRO COc1cccc(CNc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)c1 ZINC000328980833 206239006 /nfs/dbraw/zinc/23/90/06/206239006.db2.gz GQCRZLZJJPZGJQ-UHFFFAOYSA-N 1 0 377.492 2.582 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2cc(Cl)ccc2F)cc(-c2ccccn2)n1 ZINC000328981947 206239344 /nfs/dbraw/zinc/23/93/44/206239344.db2.gz GWZAYFDCRWFYGU-UHFFFAOYSA-N 1 0 386.862 2.892 40 0 GFABRO CSc1cccc(Nc2cc(-c3ccncc3)nc(NCC[NH+](C)C)n2)c1 ZINC000329056003 206242295 /nfs/dbraw/zinc/24/22/95/206242295.db2.gz VQGMSZGSPVLXTD-UHFFFAOYSA-N 1 0 380.521 2.821 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2c(F)cccc2Cl)cc(C(F)(F)F)n1 ZINC000329037985 206242381 /nfs/dbraw/zinc/24/23/81/206242381.db2.gz RQIFHMKAEAICRY-UHFFFAOYSA-N 1 0 377.773 2.849 40 0 GFABRO C[NH+](C)CCCNc1nc(NCc2ccccc2Cl)cc(C(F)(F)F)n1 ZINC000329044340 206242937 /nfs/dbraw/zinc/24/29/37/206242937.db2.gz SWQHXLVIYYDCTL-UHFFFAOYSA-N 1 0 387.837 2.968 40 0 GFABRO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@@H+](C3CCOCC3)CCN21 ZINC000253396224 206281375 /nfs/dbraw/zinc/28/13/75/206281375.db2.gz DJDWMBVUQUHZEV-IBGZPJMESA-N 1 0 391.943 2.740 40 0 biogenic,in-vitro GFABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)C4CCCC4)CCN3C(C)(C)C2)cc1 ZINC000253409163 206283063 /nfs/dbraw/zinc/28/30/63/206283063.db2.gz ZQPKAYDNNIFXPS-HXUWFJFHSA-N 1 0 385.552 2.992 40 0 biogenic,in-vitro GFABRO Cc1ccc2oc(=O)n(CC(=O)NC[C@@H](c3ccccc3F)[NH+]3CCCC3)c2c1 ZINC000012200962 206869590 /nfs/dbraw/zinc/86/95/90/206869590.db2.gz GAIMKZCCHOMHJL-IBGZPJMESA-N 1 0 397.450 2.995 40 0 GFABRO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@@H+](C1CCC1)C[C@H]2c1cccnc1 ZINC000306141425 209106012 /nfs/dbraw/zinc/10/60/12/209106012.db2.gz VVQFIAMMUKICLE-PZJWPPBQSA-N 1 0 383.517 2.893 40 0 GFABRO C[C@@H](C(=O)N1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1)N1CCCC1=O ZINC000019079650 207101254 /nfs/dbraw/zinc/10/12/54/207101254.db2.gz OENKMFWASCSREH-OYMFQORVSA-N 1 0 399.535 2.662 40 0 GFABRO Cc1ccc([C@@H](C)C(=O)N2CC[C@@H](c3nn(CC[NH3+])c4ncccc34)C2)cc1 ZINC000019135650 207104972 /nfs/dbraw/zinc/10/49/72/207104972.db2.gz YCHAUCWKSIGHSZ-SJLPKXTDSA-N 1 0 377.492 2.818 40 0 GFABRO COc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)OCO2 ZINC000019215798 207107194 /nfs/dbraw/zinc/10/71/94/207107194.db2.gz HFLYJMIGXCCOCN-JIGPKXGUSA-N 1 0 382.460 2.857 40 0 GFABRO Cc1nc(C)n(CC(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@H+]3C)n1 ZINC000019285764 207113958 /nfs/dbraw/zinc/11/39/58/207113958.db2.gz IIJHLJMCBYUQSX-VWPQPMDRSA-N 1 0 381.524 2.764 40 0 GFABRO O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019345634 207116277 /nfs/dbraw/zinc/11/62/77/207116277.db2.gz SZYILDSLGMERRP-OAQYLSRUSA-N 1 0 376.504 2.907 40 0 GFABRO O=C(C1CC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343587 207116871 /nfs/dbraw/zinc/11/68/71/207116871.db2.gz URYFFRUGANFMJG-OAHLLOKOSA-N 1 0 398.532 2.506 40 0 GFABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21)c1cc2ccccc2o1 ZINC000019376276 207120404 /nfs/dbraw/zinc/12/04/04/207120404.db2.gz YHGFJABBENLTRT-OAHLLOKOSA-N 1 0 375.432 2.684 40 0 GFABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019499408 207124869 /nfs/dbraw/zinc/12/48/69/207124869.db2.gz SJERYABBIIQIHU-VQTJNVASSA-N 1 0 396.491 2.652 40 0 GFABRO COc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)cc1OC ZINC000019561199 207134797 /nfs/dbraw/zinc/13/47/97/207134797.db2.gz RUDDOYFGAWEYDH-PCCBWWKXSA-N 1 0 382.504 2.566 40 0 GFABRO C[NH2+]C1CCC2(CC1)CN(C(=O)c1cc(C)c(C)[nH]c1=O)Cc1ccccc1O2 ZINC000019566781 207135464 /nfs/dbraw/zinc/13/54/64/207135464.db2.gz HWKURWSWMNPSQD-UHFFFAOYSA-N 1 0 395.503 2.927 40 0 GFABRO c1ccc(N2CCCCC2)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCNC4)C2)c1 ZINC000019711055 207151457 /nfs/dbraw/zinc/15/14/57/207151457.db2.gz HMGFCMBLJKWMEQ-IBGZPJMESA-N 1 0 380.540 2.751 40 0 GFABRO CN(Cc1cc(C2CC[NH2+]CC2)nn1C)S(=O)(=O)Cc1ccccc1Cl ZINC000019710199 207152055 /nfs/dbraw/zinc/15/20/55/207152055.db2.gz JYJIHUOQGKNPBT-UHFFFAOYSA-N 1 0 396.944 2.502 40 0 GFABRO C[N@H+]1CCc2nnc([C@@H]3CCCN3C(=O)c3cc(C4CCCCC4)no3)n2CC1 ZINC000019710773 207152544 /nfs/dbraw/zinc/15/25/44/207152544.db2.gz XPYHPVFIURQDGM-KRWDZBQOSA-N 1 0 398.511 2.779 40 0 GFABRO COc1cccc(CCNC(=O)CC2CC[NH+](Cc3cn(C)nc3C)CC2)c1 ZINC000019748399 207157167 /nfs/dbraw/zinc/15/71/67/207157167.db2.gz ZINKFBKHUSKBRB-UHFFFAOYSA-N 1 0 384.524 2.698 40 0 GFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000035375544 207487048 /nfs/dbraw/zinc/48/70/48/207487048.db2.gz YYRKTOXXDWIDNM-HAUMXSRVSA-N 1 0 389.883 2.515 40 0 GFABRO COc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC000072358553 208003606 /nfs/dbraw/zinc/00/36/06/208003606.db2.gz CLFLFKGBJDAPDR-GOSISDBHSA-N 1 0 380.492 2.954 40 0 GFABRO COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC000072358998 208004112 /nfs/dbraw/zinc/00/41/12/208004112.db2.gz WJFQJDAEWXUESZ-SFHVURJKSA-N 1 0 380.492 2.954 40 0 GFABRO Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)[nH+]1 ZINC000072374896 208010208 /nfs/dbraw/zinc/01/02/08/208010208.db2.gz KCQPJLMELUILOE-INIZCTEOSA-N 1 0 389.525 2.823 40 0 GFABRO CCN1CC[C@]2(CN(C(C)=O)CC23CC[NH+](Cc2ccc(C)s2)CC3)C1=O ZINC000096036498 208252515 /nfs/dbraw/zinc/25/25/15/208252515.db2.gz JHJYTCUUOZIUIY-NRFANRHFSA-N 1 0 389.565 2.739 40 0 GFABRO O=S1(=O)NCC2(CC[NH+](Cc3ccc(F)cc3)CC2)COc2ccccc21 ZINC000096037117 208256177 /nfs/dbraw/zinc/25/61/77/208256177.db2.gz HDOGJDRFHQYQRC-UHFFFAOYSA-N 1 0 390.480 2.779 40 0 GFABRO CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1CN(Cc1cccnc1)CCC2 ZINC000096056035 208257748 /nfs/dbraw/zinc/25/77/48/208257748.db2.gz AOHGXHAWFVSNQE-UNMCSNQZSA-N 1 0 383.492 2.952 40 0 GFABRO COCC[N@H+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)c1ccc3[nH]ccc3c1)C2 ZINC000096228481 208290582 /nfs/dbraw/zinc/29/05/82/208290582.db2.gz HSGRKVMRIIHTOE-VGOFRKELSA-N 1 0 385.508 2.757 40 0 GFABRO Cc1ccsc1C[N@@H+]1C[C@H]2CCn3c(C(=O)NCc4ccco4)nnc3[C@@H]2C1 ZINC000306128370 209099839 /nfs/dbraw/zinc/09/98/39/209099839.db2.gz GYQOAJMPIUDIPW-GDBMZVCRSA-N 1 0 397.504 2.790 40 0 GFABRO CC(C)CS(=O)(=O)N[C@H]1CCCC[C@@]12C[N@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000306123910 209097315 /nfs/dbraw/zinc/09/73/15/209097315.db2.gz BAHBELYJQDXKMC-HSALFYBXSA-N 1 0 384.586 2.932 40 0 GFABRO COC[C@H]1C[N@H+](Cc2cccs2)CC12CCN(C(=O)c1cocn1)CC2 ZINC000247885406 209027376 /nfs/dbraw/zinc/02/73/76/209027376.db2.gz RJYPPELGTYRUJK-OAHLLOKOSA-N 1 0 375.494 2.737 40 0 GFABRO COc1cc(C[N@@H+]2CCOC[C@H](CC(=O)N3CCCC3)[C@H]2C)cc(OC)c1 ZINC000249691162 209033069 /nfs/dbraw/zinc/03/30/69/209033069.db2.gz LFVBNIYFQRLHNK-AEFFLSMTSA-N 1 0 376.497 2.553 40 0 GFABRO CCCc1cc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(OC)cc2)C[N@@H+]3C)n(C)n1 ZINC000257216931 209058184 /nfs/dbraw/zinc/05/81/84/209058184.db2.gz CWSYVKIIHWQJRQ-NJDAHSKKSA-N 1 0 396.535 2.941 40 0 GFABRO CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(C(=O)C[NH+]1CCCCC1)CC2 ZINC000257257461 209062574 /nfs/dbraw/zinc/06/25/74/209062574.db2.gz KPQYKZHHWNGCBU-FQEVSTJZSA-N 1 0 383.536 2.555 40 0 GFABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)CO)C[C@@H]32)cc1 ZINC000257306754 209072038 /nfs/dbraw/zinc/07/20/38/209072038.db2.gz SVROLNCAFBXUCM-YPAWHYETSA-N 1 0 380.488 2.504 40 0 GFABRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)CC1 ZINC000219234847 136204161 /nfs/dbraw/zinc/20/41/61/136204161.db2.gz ASZCZUSMIXXWGK-UHFFFAOYSA-N 1 0 392.503 2.813 40 0 GFABRO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4CC(C)C)n3)ccn2)CC1 ZINC000049154970 560083971 /nfs/dbraw/zinc/08/39/71/560083971.db2.gz ZZDIFAHVVQROPE-SFHVURJKSA-N 1 0 398.511 2.593 40 0 biogenic,in-vitro GFABRO CCN(CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)[C@@H]1O ZINC000012483555 560212291 /nfs/dbraw/zinc/21/22/91/560212291.db2.gz QKAFKKVUHTUHPF-FWKCKQQBSA-N 1 0 382.504 2.638 40 0 biogenic,in-vitro GFABRO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@H+](CC3(O)CCCCC3)CC[C@@H]2O)c1 ZINC000585281357 570249266 /nfs/dbraw/zinc/24/92/66/570249266.db2.gz INHHZERXNKEJCD-ICSRJNTNSA-N 1 0 383.916 2.520 40 0 GFABRO Cc1cccc(N2CCC(O)(C[N@@H+]3CCC[C@]4(C)NC(=O)CCC[C@H]34)CC2)c1 ZINC000585282306 570250083 /nfs/dbraw/zinc/25/00/83/570250083.db2.gz DCHPFIIJEXPSOK-UNMCSNQZSA-N 1 0 385.552 2.850 40 0 GFABRO C[C@]12CC[N@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)[C@H]1CCCCC(=O)N2 ZINC000585284654 570253825 /nfs/dbraw/zinc/25/38/25/570253825.db2.gz UOEFQMOEHBDTBP-FPOVZHCZSA-N 1 0 389.515 2.680 40 0 GFABRO COc1cc(COC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)cc(OC)c1OC ZINC000002686925 570295179 /nfs/dbraw/zinc/29/51/79/570295179.db2.gz WXONXIJDSQKEMJ-QAPCUYQASA-N 1 0 375.465 2.941 40 0 GFABRO CC1(C)[C@@]2(C(=O)NCC[NH3+])CC[C@]1(C)[C@@H](OC(=O)C(Cl)(Cl)Cl)C2 ZINC000085398708 570320432 /nfs/dbraw/zinc/32/04/32/570320432.db2.gz RFTGQCIGPGBFLY-FZZIBODNSA-N 1 0 385.719 2.560 40 0 GFABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)c2ccc3ncccc3c2)CC1 ZINC000035291330 570459662 /nfs/dbraw/zinc/45/96/62/570459662.db2.gz JDQZGOHVRIZVOS-LJQANCHMSA-N 1 0 379.512 2.703 40 0 GFABRO O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000225278404 570561034 /nfs/dbraw/zinc/56/10/34/570561034.db2.gz ZVLSTRCBPUVZAW-MJGOQNOKSA-N 1 0 384.451 2.994 40 0 GFABRO CCOCc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)ccc1OC ZINC000012147613 570617216 /nfs/dbraw/zinc/61/72/16/570617216.db2.gz CUTVSSYHTUOOGY-QIDMFYOTSA-N 1 0 385.508 2.980 40 0 GFABRO CCc1c(C)noc1-c1cnc(N(C)CC[NH+](C)C)nc1-c1cnc(C)cn1 ZINC000012156503 570618644 /nfs/dbraw/zinc/61/86/44/570618644.db2.gz JZBBMFNZYGKKAC-UHFFFAOYSA-N 1 0 381.484 2.766 40 0 GFABRO Cc1c(C(=O)NC(C)(C)C[N@H+]2CCC[C@@H](C)C2)sc2ncn(C)c(=O)c12 ZINC000012203313 570625114 /nfs/dbraw/zinc/62/51/14/570625114.db2.gz ZFJHFUNXTZRKMQ-GFCCVEGCSA-N 1 0 376.526 2.544 40 0 GFABRO COc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCc1cccnc1 ZINC000007277175 570757726 /nfs/dbraw/zinc/75/77/26/570757726.db2.gz UGAQTAFEGJDQFL-GFCCVEGCSA-N 1 0 381.270 2.902 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)NCC[NH+]2CCCC2)[C@@H]1c1ccccc1Cl ZINC000257236764 570767038 /nfs/dbraw/zinc/76/70/38/570767038.db2.gz HDRWGUIWPXNYLH-APWZRJJASA-N 1 0 377.916 2.852 40 0 GFABRO [NH3+]CCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)cc1 ZINC000257240149 570767926 /nfs/dbraw/zinc/76/79/26/570767926.db2.gz HSFIEMWQVUBUMB-NJDAHSKKSA-N 1 0 384.476 2.505 40 0 GFABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(S(=O)(=O)N(C)C)C3)c2)cc1 ZINC000257239799 570767996 /nfs/dbraw/zinc/76/79/96/570767996.db2.gz HQUYLWTZHFBLHV-OAHLLOKOSA-N 1 0 390.509 2.738 40 0 GFABRO CC[C@@H](C(=O)NCC[NH+]1CCCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713973 570778413 /nfs/dbraw/zinc/77/84/13/570778413.db2.gz XBHOOKFHYKQJLY-IBGZPJMESA-N 1 0 395.569 2.532 40 0 GFABRO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000019528058 570928759 /nfs/dbraw/zinc/92/87/59/570928759.db2.gz BTBUZTWUIBAWLV-FQEVSTJZSA-N 1 0 380.471 2.587 40 0 GFABRO COc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(Cc4ccccc4)C3)C2)cc1 ZINC000585103321 570931946 /nfs/dbraw/zinc/93/19/46/570931946.db2.gz BFSFJWLLXRWMTC-HSZRJFAPSA-N 1 0 380.488 2.946 40 0 GFABRO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](C[NH+]4CCCC4)C3)CC2)cc1 ZINC000585105420 570932042 /nfs/dbraw/zinc/93/20/42/570932042.db2.gz WIVBUKDCQVDEHR-NRFANRHFSA-N 1 0 385.552 2.789 40 0 GFABRO O=C(c1cccs1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000585106303 570936360 /nfs/dbraw/zinc/93/63/60/570936360.db2.gz PYTBPWNKEOAQSO-MSOLQXFVSA-N 1 0 395.528 2.601 40 0 GFABRO CCc1cccc(C)c1Nc1cc(-c2cccnc2)nc(NCC[NH+](C)C)n1 ZINC000329036557 206242574 /nfs/dbraw/zinc/24/25/74/206242574.db2.gz RJWXNDZGRRSWMQ-UHFFFAOYSA-N 1 0 376.508 2.970 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2cc(F)ccc2F)cc(-c2ccncc2)n1 ZINC000329031761 206242626 /nfs/dbraw/zinc/24/26/26/206242626.db2.gz QLBGOQBNILDOEW-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO O=C(NC1CCCCC1)NC1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000004356356 206260126 /nfs/dbraw/zinc/26/01/26/206260126.db2.gz NYYWDZXFMPIOHW-GOSISDBHSA-N 1 0 376.545 2.628 40 0 GFABRO Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)cc1 ZINC000019210827 207105993 /nfs/dbraw/zinc/10/59/93/207105993.db2.gz SBIWDTKVUAMUSE-KRWDZBQOSA-N 1 0 394.519 2.946 40 0 GFABRO Cc1ccc2c(c1)C(=O)C[C@@]1(CC[C@@H]3[C@@H](C(=O)NCC[NH+]4CCCCC4)[C@@H]31)O2 ZINC000019218075 207107939 /nfs/dbraw/zinc/10/79/39/207107939.db2.gz RCBWNGNACAEJIX-UQHZHQPPSA-N 1 0 382.504 2.957 40 0 GFABRO Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](C(=O)NCC[NH+]4CCCCC4)[C@@H]31)O2 ZINC000019218073 207108145 /nfs/dbraw/zinc/10/81/45/207108145.db2.gz RCBWNGNACAEJIX-SUIZVZERSA-N 1 0 382.504 2.957 40 0 GFABRO NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000019331627 207116541 /nfs/dbraw/zinc/11/65/41/207116541.db2.gz MBLLWNGOQBJFFL-QFIPXVFZSA-N 1 0 397.544 2.661 40 0 GFABRO O=C(NC1CC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372459 207119231 /nfs/dbraw/zinc/11/92/31/207119231.db2.gz WPQLYEIRGCLWLB-PMACEKPBSA-N 1 0 391.519 2.571 40 0 GFABRO CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCC[C@H](C[NH+](C)C)C3)cc2N1 ZINC000019520564 207126941 /nfs/dbraw/zinc/12/69/41/207126941.db2.gz DZGJQQSGIWBNQB-UMVBOHGHSA-N 1 0 387.450 2.995 40 0 GFABRO CCc1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 ZINC000019523392 207128203 /nfs/dbraw/zinc/12/82/03/207128203.db2.gz LUHPXIGUFGJWRD-INIZCTEOSA-N 1 0 376.464 2.564 40 0 GFABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019524536 207129277 /nfs/dbraw/zinc/12/92/77/207129277.db2.gz GZGASSFHLNUCCY-QGZVFWFLSA-N 1 0 384.528 2.665 40 0 GFABRO COc1cccc(C[NH+]2CCC(c3cc(C(=O)N4CCOCC4)on3)CC2)c1 ZINC000019564911 207133878 /nfs/dbraw/zinc/13/38/78/207133878.db2.gz QESHJFFTJDUHAE-UHFFFAOYSA-N 1 0 385.464 2.535 40 0 GFABRO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019559020 207135154 /nfs/dbraw/zinc/13/51/54/207135154.db2.gz SYULFWNLRZUKPT-CYBMUJFWSA-N 1 0 386.883 2.804 40 0 GFABRO COc1ccc(C(=O)N2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c(OC)c1 ZINC000019551960 207131808 /nfs/dbraw/zinc/13/18/08/207131808.db2.gz VKFYIGYLOJAWQR-SFHVURJKSA-N 1 0 382.464 2.507 40 0 GFABRO COc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)CC2=O)cc1 ZINC000019556339 207131934 /nfs/dbraw/zinc/13/19/34/207131934.db2.gz TVKNLRTVRVWBOP-RTBURBONSA-N 1 0 399.535 2.915 40 0 GFABRO Cc1nn(CCC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c(C)c1C ZINC000019557107 207131984 /nfs/dbraw/zinc/13/19/84/207131984.db2.gz SALMJRJVUCBAFB-HXUWFJFHSA-N 1 0 396.539 2.730 40 0 GFABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)CCCn1cncn1 ZINC000019589072 207142106 /nfs/dbraw/zinc/14/21/06/207142106.db2.gz WQENQRUERBYBNF-VWPQPMDRSA-N 1 0 381.524 2.927 40 0 GFABRO CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CC[N@H+](CCc1ccccc1)C2 ZINC000019708709 207150925 /nfs/dbraw/zinc/15/09/25/207150925.db2.gz SWISFKFOTDJDHC-IBGZPJMESA-N 1 0 393.535 2.845 40 0 GFABRO Cc1ccc2oc(C(=O)N3CCc4nnc([C@H]5CCC[N@@H+](C)C5)n4CC3)cc2c1 ZINC000019709274 207151205 /nfs/dbraw/zinc/15/12/05/207151205.db2.gz UNSCLXHBTLAHJQ-INIZCTEOSA-N 1 0 393.491 2.840 40 0 GFABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCNC4)C2)c2cc(OC)ccc21 ZINC000019710973 207152642 /nfs/dbraw/zinc/15/26/42/207152642.db2.gz OQOJKESJEKFFNS-INIZCTEOSA-N 1 0 394.523 2.744 40 0 GFABRO C[N@H+]1CCc2nnc([C@@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2CC1 ZINC000019710791 207152922 /nfs/dbraw/zinc/15/29/22/207152922.db2.gz MJSZCLKFPPKFEK-SFHVURJKSA-N 1 0 385.487 2.592 40 0 GFABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCNC4)C2)c2ccc(F)cc21 ZINC000019711018 207153096 /nfs/dbraw/zinc/15/30/96/207153096.db2.gz MFKQJTZALIJZEK-OAHLLOKOSA-N 1 0 382.487 2.875 40 0 GFABRO Cc1cc(Nc2cc([C@@H]3CCCN3C(=O)C3([NH3+])CCCCC3)nc(C)n2)n[nH]1 ZINC000072360847 208003654 /nfs/dbraw/zinc/00/36/54/208003654.db2.gz DRZVAMVFUMSNKQ-INIZCTEOSA-N 1 0 383.500 2.885 40 0 GFABRO CC(=O)N1CCn2c(nnc2[C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)C1 ZINC000072372130 208004669 /nfs/dbraw/zinc/00/46/69/208004669.db2.gz IVWOFVJHEDGPLP-SFHVURJKSA-N 1 0 390.491 2.568 40 0 GFABRO O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CC[C@@]21CC[N@H+](CC2CC2)C1 ZINC000306130466 209098985 /nfs/dbraw/zinc/09/89/85/209098985.db2.gz JHHDIBHJEJQBPR-XMMPIXPASA-N 1 0 390.531 2.559 40 0 GFABRO COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222997600 208890459 /nfs/dbraw/zinc/89/04/59/208890459.db2.gz JUHOUEKFSHQQOD-MOPGFXCFSA-N 1 0 379.489 2.886 40 0 GFABRO O=C(NC1CCC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306124016 209097644 /nfs/dbraw/zinc/09/76/44/209097644.db2.gz BDBPGRQWSJNXBW-LSDHHAIUSA-N 1 0 385.899 2.518 40 0 GFABRO C[NH+]1CCC(N2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)CC1 ZINC000096111835 209008392 /nfs/dbraw/zinc/00/83/92/209008392.db2.gz ZPHCGUDEJVQXJF-FPOVZHCZSA-N 1 0 392.503 2.544 40 0 biogenic,in-vitro GFABRO CCN1C(=O)CC[C@@H](C(=O)N2CC[NH+](C(C)C)CC2)[C@@H]1c1cccc(OC)c1 ZINC000257207147 209055269 /nfs/dbraw/zinc/05/52/69/209055269.db2.gz BGNXXRDWGIZYGL-CTNGQTDRSA-N 1 0 387.524 2.547 40 0 GFABRO O=C(Cc1cccc(O)c1)N1CCC[C@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257248037 209060163 /nfs/dbraw/zinc/06/01/63/209060163.db2.gz JBTKEMJPTBKULM-XMMPIXPASA-N 1 0 394.515 2.737 40 0 GFABRO Cc1nc(Nc2cc(C)nc([C@@H]3CN(C(=O)C[NH+](C)C)CCO3)c2)sc1C ZINC000257290240 209068012 /nfs/dbraw/zinc/06/80/12/209068012.db2.gz QCDBWLWNDFNTJP-KRWDZBQOSA-N 1 0 389.525 2.668 40 0 GFABRO CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@H]2CCCC[N@H+]2C)c1 ZINC000257318081 209075033 /nfs/dbraw/zinc/07/50/33/209075033.db2.gz VMKKKWKKKXFYGJ-LJQANCHMSA-N 1 0 380.492 2.599 40 0 GFABRO CNc1nc([C@@H]2CCC[N@@H+]2CCc2ccccc2)nc2c1CCN(C(C)=O)C2 ZINC000072345869 222232882 /nfs/dbraw/zinc/23/28/82/222232882.db2.gz MYVCQTGAKRBVLJ-FQEVSTJZSA-N 1 0 379.508 2.803 40 0 GFABRO Cc1ccc([C@H]2CCCN2C(=O)C2CN(C(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC000072344552 222233434 /nfs/dbraw/zinc/23/34/34/222233434.db2.gz LBRDXZBYXKZNFQ-OAQYLSRUSA-N 1 0 383.536 2.767 40 0 GFABRO CCOc1cc(C[NH2+]CCCN2CCOCC2)c(Br)cc1OC ZINC000013915710 551109422 /nfs/dbraw/zinc/10/94/22/551109422.db2.gz AVNXVKOLEBPCDJ-UHFFFAOYSA-N 1 0 387.318 2.668 40 0 GFABRO CC(C)C[N@@H+]1CCC[C@H]1c1nc(-c2ccnc(N3CCC(C(N)=O)CC3)c2)no1 ZINC000035424689 560081140 /nfs/dbraw/zinc/08/11/40/560081140.db2.gz SLYLSGBTVIYPPM-KRWDZBQOSA-N 1 0 398.511 2.626 40 0 biogenic,in-vitro GFABRO COc1ccc(Cl)cc1Nc1cc(C2CC2)nc(NCCC[NH+](C)C)n1 ZINC000328985295 570210897 /nfs/dbraw/zinc/21/08/97/570210897.db2.gz HSGLODNGCVPMDT-UHFFFAOYSA-N 1 0 375.904 2.967 40 0 GFABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](CC(=O)NCCc3ccccc3)CC2)cc1 ZINC000585271482 570238309 /nfs/dbraw/zinc/23/83/09/570238309.db2.gz AFIVBAFMTBCALM-DEOSSOPVSA-N 1 0 396.531 2.950 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(F)c1 ZINC000020801036 570281278 /nfs/dbraw/zinc/28/12/78/570281278.db2.gz GTSWXTBWDXGOKJ-OALUTQOASA-N 1 0 395.434 2.590 40 0 GFABRO CC(C)(C)C[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382145 570353477 /nfs/dbraw/zinc/35/34/77/570353477.db2.gz HMFMZNOIEXKYSR-XRXFAXGQSA-N 1 0 399.535 2.592 40 0 biogenic,in-vitro GFABRO O=C(NC1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 ZINC000025828416 570437352 /nfs/dbraw/zinc/43/73/52/570437352.db2.gz GFMWRCIZKUIIIV-UHFFFAOYSA-N 1 0 391.471 2.567 40 0 GFABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 ZINC000223254561 570453279 /nfs/dbraw/zinc/45/32/79/570453279.db2.gz HEZUABSYFCHVGY-WOJBJXKFSA-N 1 0 392.532 2.801 40 0 GFABRO C[NH+]1CCN(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 ZINC000038757299 570582580 /nfs/dbraw/zinc/58/25/80/570582580.db2.gz ORXPUAULNONFGI-UHFFFAOYSA-N 1 0 390.380 2.980 40 0 GFABRO CCN(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079393320 570597939 /nfs/dbraw/zinc/59/79/39/570597939.db2.gz DBYWCRSHESOZFO-MOPGFXCFSA-N 1 0 375.513 2.867 40 0 GFABRO CCN(C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1)C(=O)OCc1ccccc1 ZINC000079413332 570598010 /nfs/dbraw/zinc/59/80/10/570598010.db2.gz CDLIHLGBXHENHR-MOPGFXCFSA-N 1 0 375.513 2.867 40 0 GFABRO C[NH+](C)CCCNC(=O)CN1N=C(C(C)(C)C)Cn2c(cc3ccccc32)C1=O ZINC000012117955 570611953 /nfs/dbraw/zinc/61/19/53/570611953.db2.gz NZIYTJBXLNFXSP-UHFFFAOYSA-N 1 0 397.523 2.567 40 0 GFABRO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](CC2=Cc4ccccc4OC2)CC3)C1 ZINC000012183133 570620049 /nfs/dbraw/zinc/62/00/49/570620049.db2.gz BWJHSXLTUNWNNR-INIZCTEOSA-N 1 0 392.503 2.840 40 0 GFABRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc2c(c1)OCO2 ZINC000012203731 570625404 /nfs/dbraw/zinc/62/54/04/570625404.db2.gz BBJZACQAJAKYRJ-KXBFYZLASA-N 1 0 388.851 2.791 40 0 GFABRO C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc2c(c1)OCO2 ZINC000012203737 570625520 /nfs/dbraw/zinc/62/55/20/570625520.db2.gz BBJZACQAJAKYRJ-BEFAXECRSA-N 1 0 388.851 2.791 40 0 GFABRO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1 ZINC000012365923 570646831 /nfs/dbraw/zinc/64/68/31/570646831.db2.gz SXFXWQJKJNUXOK-UMEYKSNOSA-N 1 0 380.492 2.912 40 0 GFABRO Cc1ccc2c(c1)CN(C(=O)Cc1ccc3c(c1)OCO3)[C@@H](C[NH+](C)C)CO2 ZINC000012406615 570654014 /nfs/dbraw/zinc/65/40/14/570654014.db2.gz SBVDPQSLPFQSEK-SFHVURJKSA-N 1 0 382.460 2.618 40 0 GFABRO CC[C@H](C(=O)NCC[NH+]1CCCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713971 570778205 /nfs/dbraw/zinc/77/82/05/570778205.db2.gz XBHOOKFHYKQJLY-LJQANCHMSA-N 1 0 395.569 2.532 40 0 GFABRO COCCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010337756 570788851 /nfs/dbraw/zinc/78/88/51/570788851.db2.gz DDZUDKIFPSSKSC-UHFFFAOYSA-N 1 0 381.476 2.911 40 0 GFABRO CCSc1ncc(CN2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000072339882 570880078 /nfs/dbraw/zinc/88/00/78/570880078.db2.gz JHXPLHCFBGANNP-UHFFFAOYSA-N 1 0 380.477 2.705 40 0 GFABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1 ZINC000585100263 570924234 /nfs/dbraw/zinc/92/42/34/570924234.db2.gz JDRQVBWUEDYOCU-QHCPKHFHSA-N 1 0 399.535 2.665 40 0 GFABRO Cc1cc(C[N@@H+]2CCC[C@]3(CCCN3C(=O)c3snnc3C)CC2)n(C)n1 ZINC000585100608 570924650 /nfs/dbraw/zinc/92/46/50/570924650.db2.gz PMAIICMHUKGROH-IBGZPJMESA-N 1 0 388.541 2.549 40 0 GFABRO O=C(COc1ccccc1)N1CCO[C@]2(CCCC[C@@H]2[NH2+]Cc2cccnc2)C1 ZINC000306143354 209109095 /nfs/dbraw/zinc/10/90/95/209109095.db2.gz XZZJACVFRWWJGY-JTHBVZDNSA-N 1 0 395.503 2.790 40 0 GFABRO Cc1ccccc1CNc1cc(-c2cccnc2)nc(NCCC[NH+](C)C)n1 ZINC000329071184 206243736 /nfs/dbraw/zinc/24/37/36/206243736.db2.gz ZNLJXNZBFNXXOG-UHFFFAOYSA-N 1 0 376.508 2.667 40 0 GFABRO COc1ccc(Cl)cc1Nc1cc(-c2cccnc2)nc(NCC[NH+](C)C)n1 ZINC000328985728 206238763 /nfs/dbraw/zinc/23/87/63/206238763.db2.gz HUQCITHCLDBZMD-UHFFFAOYSA-N 1 0 398.898 2.762 40 0 GFABRO CCc1cccc(C)c1Nc1cc(-c2ccccn2)nc(NCC[NH+](C)C)n1 ZINC000329027701 206241005 /nfs/dbraw/zinc/24/10/05/206241005.db2.gz PSUDJXNYTWJSKD-UHFFFAOYSA-N 1 0 376.508 2.970 40 0 GFABRO Cc1nc(N2CCc3cc(Br)ccc3C2)cc(NCCCO)[nH+]1 ZINC000329027136 206241220 /nfs/dbraw/zinc/24/12/20/206241220.db2.gz PRFYSEOQFLZKCR-UHFFFAOYSA-N 1 0 377.286 2.905 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)n1 ZINC000329013067 206241708 /nfs/dbraw/zinc/24/17/08/206241708.db2.gz MNOSFFHYLGUFCX-UHFFFAOYSA-N 1 0 394.292 2.817 40 0 GFABRO C[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019084025 207102519 /nfs/dbraw/zinc/10/25/19/207102519.db2.gz YJHPTRKRIHZOTG-SOUVJXGZSA-N 1 0 397.514 2.971 40 0 GFABRO Cc1ccc(CC(=O)N2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)cc1 ZINC000019209272 207106182 /nfs/dbraw/zinc/10/61/82/207106182.db2.gz FYRCQECHNHYGGQ-IBGZPJMESA-N 1 0 391.519 2.860 40 0 GFABRO Cc1ccccc1OCCC(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019237393 207111434 /nfs/dbraw/zinc/11/14/34/207111434.db2.gz VBZJSPXIARWELM-KRWDZBQOSA-N 1 0 380.492 2.606 40 0 GFABRO O=C(CCCc1ccc(F)cc1)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019333610 207117336 /nfs/dbraw/zinc/11/73/36/207117336.db2.gz BEQPXKSEUFVKJF-QGZVFWFLSA-N 1 0 382.483 2.990 40 0 GFABRO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019456825 207124193 /nfs/dbraw/zinc/12/41/93/207124193.db2.gz SYDAEWCUVSDSSI-IBGZPJMESA-N 1 0 397.519 2.823 40 0 GFABRO COc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)cc(OC)c1OC ZINC000019549739 207130953 /nfs/dbraw/zinc/13/09/53/207130953.db2.gz RUNHHBIRZCFCIT-INIZCTEOSA-N 1 0 399.491 2.595 40 0 GFABRO CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)[nH]n1 ZINC000019447405 207121185 /nfs/dbraw/zinc/12/11/85/207121185.db2.gz YAXULIYNOJXTMZ-LJQANCHMSA-N 1 0 382.512 2.754 40 0 GFABRO Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019569755 207136587 /nfs/dbraw/zinc/13/65/87/207136587.db2.gz HWHAFWVCNSMBSX-ROUUACIJSA-N 1 0 394.519 2.913 40 0 GFABRO CCOc1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2Cc2ccccc2)ccc1OC ZINC000019532125 207131488 /nfs/dbraw/zinc/13/14/88/207131488.db2.gz ZIZCOJSYSHHRJK-BHIFYINESA-N 1 0 396.531 2.956 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c(OC)c1 ZINC000019552208 207132421 /nfs/dbraw/zinc/13/24/21/207132421.db2.gz JEBWQWJFFQZYIR-KRWDZBQOSA-N 1 0 392.459 2.839 40 0 GFABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)[nH]c(=O)c2C1 ZINC000019590239 207141817 /nfs/dbraw/zinc/14/18/17/207141817.db2.gz QIPDZSRJIIWDFN-QGZVFWFLSA-N 1 0 380.492 2.509 40 0 GFABRO CC[NH+]1CCC(CC(=O)N2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)CC1 ZINC000019706056 207151243 /nfs/dbraw/zinc/15/12/43/207151243.db2.gz FBUSMJVARVWNHO-LJQANCHMSA-N 1 0 386.540 2.611 40 0 GFABRO CO[C@H](c1ccccc1)[C@H](O)C[NH+]1CCN(C[C@@H](OC)c2ccccc2)CC1 ZINC000022862000 207263558 /nfs/dbraw/zinc/26/35/58/207263558.db2.gz VSTNNAYSCJQCQI-DNVJHFABSA-N 1 0 384.520 2.740 40 0 in-man GFABRO C[NH+](C)C[C@@H]1[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C2CCN1CC2 ZINC000022591152 207256270 /nfs/dbraw/zinc/25/62/70/207256270.db2.gz PIJASLBJPRDNRA-FUPPJEDESA-N 1 0 386.536 2.632 40 0 GFABRO CC(=O)N1CCn2c(nnc2C2CC[NH+](Cc3ccnc4ccccc34)CC2)C1 ZINC000072372087 208004483 /nfs/dbraw/zinc/00/44/83/208004483.db2.gz MFFWDKMEBYNLSM-UHFFFAOYSA-N 1 0 390.491 2.568 40 0 GFABRO CC(=O)Nc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C(C)(C)[NH3+])C2)cc1 ZINC000072363055 208005315 /nfs/dbraw/zinc/00/53/15/208005315.db2.gz GTMIRHFQSQOGEQ-OAHLLOKOSA-N 1 0 397.479 2.671 40 0 GFABRO CNc1cc(Nc2nccc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)ncn1 ZINC000072377625 208007947 /nfs/dbraw/zinc/00/79/47/208007947.db2.gz QZHRJQBTOHWLQR-INIZCTEOSA-N 1 0 376.468 2.827 40 0 GFABRO O=C(C[NH+]1CCC(c2ccc(Nc3cnccn3)cn2)CC1)N1CCCCC1 ZINC000072374166 208008252 /nfs/dbraw/zinc/00/82/52/208008252.db2.gz HPUNWGJPXJIRGN-UHFFFAOYSA-N 1 0 380.496 2.807 40 0 GFABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H]1c1cc(CCOc2cccc(F)c2)n[nH]1 ZINC000072378342 208009106 /nfs/dbraw/zinc/00/91/06/208009106.db2.gz RMBHUJYNIHFQEM-HXUWFJFHSA-N 1 0 386.471 2.930 40 0 GFABRO CC(C)[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)n2)C1 ZINC000072399207 208014428 /nfs/dbraw/zinc/01/44/28/208014428.db2.gz RLQMQYYSZBJAFA-NXHRZFHOSA-N 1 0 386.540 2.720 40 0 GFABRO CO[C@H]1O[C@@H]2c3cc4c(cc3CC[C@@H]([NH3+])[C@@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000079669829 208077097 /nfs/dbraw/zinc/07/70/97/208077097.db2.gz KHGHLZADBAGWRT-UZKHVXGDSA-N 1 0 383.400 2.918 40 0 GFABRO CC(C)n1cnc2c1[C@H](C(=O)NCCC[NH+](C)C)N(Cc1ccccc1)CC2 ZINC000096037534 208255045 /nfs/dbraw/zinc/25/50/45/208255045.db2.gz HZRAPUVANZPMOD-OAQYLSRUSA-N 1 0 383.540 2.631 40 0 GFABRO CCOC(=O)[C@@]12C[N@H+](CCOC)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000096055963 208258670 /nfs/dbraw/zinc/25/86/70/208258670.db2.gz XPPPHMCGAXXDBQ-RXVVDRJESA-N 1 0 378.488 2.549 40 0 GFABRO CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CCC2 ZINC000096056059 208259892 /nfs/dbraw/zinc/25/98/92/208259892.db2.gz DTGRRXGYANOVKT-AVRDEDQJSA-N 1 0 398.482 2.897 40 0 GFABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C1)COCc1cnc(NCc3ccco3)nc12 ZINC000096244215 208292362 /nfs/dbraw/zinc/29/23/62/208292362.db2.gz IIHJBTYHCOJUTN-NRFANRHFSA-N 1 0 395.463 2.960 40 0 GFABRO CCOCC[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(C)C)[C@H]2CC1 ZINC000096263905 208298045 /nfs/dbraw/zinc/29/80/45/208298045.db2.gz GITXWLXWXHTXOR-ROUUACIJSA-N 1 0 396.553 2.595 40 0 GFABRO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CCN(Cc1ccnc(C)n1)C3 ZINC000100752981 208381908 /nfs/dbraw/zinc/38/19/08/208381908.db2.gz AMRJJDGQXGYTFP-UHFFFAOYSA-N 1 0 376.420 2.660 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccccc3F)C[C@@H]1C2 ZINC000306134745 209102948 /nfs/dbraw/zinc/10/29/48/209102948.db2.gz NXBRFGVAZMRDIU-DLBZAZTESA-N 1 0 391.450 2.974 40 0 GFABRO c1c([C@@H]2C[N@@H+](CC3CC3)CCN2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306131311 209100800 /nfs/dbraw/zinc/10/08/00/209100800.db2.gz KBHFIFMFOVFVII-NRFANRHFSA-N 1 0 395.551 2.650 40 0 GFABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](CC(N)=O)CC3)[C@H](C)O[C@H]21 ZINC000257260139 209062166 /nfs/dbraw/zinc/06/21/66/209062166.db2.gz LBLNGMOLIPMLAL-URLQWDBASA-N 1 0 388.508 2.900 40 0 GFABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1)c1ccno1 ZINC000257325095 209077301 /nfs/dbraw/zinc/07/73/01/209077301.db2.gz WRKXRDGFSZHYPZ-IPJJNNNSSA-N 1 0 383.492 2.742 40 0 GFABRO CCC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2ccccc2F)CC1 ZINC000257336654 209078441 /nfs/dbraw/zinc/07/84/41/209078441.db2.gz YPJTUBXVUAIXCQ-XLIONFOSSA-N 1 0 375.488 2.680 40 0 GFABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cc(F)cc(F)c4)C[C@H]32)c(OC)n1 ZINC000072392608 222249777 /nfs/dbraw/zinc/24/97/77/222249777.db2.gz SOLZYSCQPFICIL-WSXQUGQNSA-N 1 0 391.418 2.502 40 0 GFABRO [NH3+]C[C@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218535459 553053926 /nfs/dbraw/zinc/05/39/26/553053926.db2.gz SDLAFJXOWAOMLD-ULQDDVLXSA-N 1 0 386.300 2.871 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2cc(Cl)ccc2F)cc(C(F)(F)F)n1 ZINC000329010726 563469819 /nfs/dbraw/zinc/46/98/19/563469819.db2.gz MAVHQSAXWMPWQS-UHFFFAOYSA-N 1 0 377.773 2.849 40 0 GFABRO FC(F)(F)c1nc(-c2cncc([C@@H]3CCC[N@H+](Cc4cncnc4)C3)n2)no1 ZINC000585291008 570259444 /nfs/dbraw/zinc/25/94/44/570259444.db2.gz ZCIAFSDBRWMTRT-GFCCVEGCSA-N 1 0 391.357 2.715 40 0 GFABRO Cc1cccc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)ncn2)n1 ZINC000585292017 570261054 /nfs/dbraw/zinc/26/10/54/570261054.db2.gz IGQJCHQDGOCJLG-OPUMOTSWSA-N 1 0 394.523 2.823 40 0 GFABRO Cc1cccc(Nc2cc(CC3CCN(C(=O)/C=C/C[NH+](C)C)CC3)ncn2)n1 ZINC000585292445 570261965 /nfs/dbraw/zinc/26/19/65/570261965.db2.gz MKSLHLOKVXQALD-VMPITWQZSA-N 1 0 394.523 2.823 40 0 GFABRO Cc1cccnc1Nc1cc([C@@H]2CCN(C(=O)/C=C/C[NH+](C)C)C2)nc(C)n1 ZINC000585293270 570262544 /nfs/dbraw/zinc/26/25/44/570262544.db2.gz YYPRKLONIKQGHU-DBWMJRBXSA-N 1 0 380.496 2.666 40 0 GFABRO CC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022457880 570347160 /nfs/dbraw/zinc/34/71/60/570347160.db2.gz UUBDNYFPVBOGJK-IBGZPJMESA-N 1 0 383.544 2.863 40 0 GFABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[NH+](CCO)CCO ZINC000118915693 570367085 /nfs/dbraw/zinc/36/70/85/570367085.db2.gz IEQZBQLFRAVFHT-MHYDGWTMSA-N 1 0 377.569 2.965 40 0 in-vitro GFABRO CC(=O)NCC1(c2ccccc2)CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000005196905 570431183 /nfs/dbraw/zinc/43/11/83/570431183.db2.gz WSWPNPUMDWOKAR-FQEVSTJZSA-N 1 0 380.488 2.996 40 0 in-man GFABRO COc1ccc2c3c1O[C@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@H](C(C)(C)O)C2 ZINC000008665386 570536910 /nfs/dbraw/zinc/53/69/10/570536910.db2.gz MKWFKXIKUBABHP-MVMBAIFLSA-N 1 0 399.531 2.910 40 0 GFABRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](CN(C(=O)OCc2ccccc2)C(C)C)C1 ZINC000079413403 570598085 /nfs/dbraw/zinc/59/80/85/570598085.db2.gz GBYHFBZRCDNVPT-OALUTQOASA-N 1 0 375.513 2.865 40 0 GFABRO CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)c1C ZINC000012146033 570616804 /nfs/dbraw/zinc/61/68/04/570616804.db2.gz OTDWKYUOOZRSQX-UHFFFAOYSA-N 1 0 397.475 2.923 40 0 GFABRO CC(=O)Nc1ccc(C[N@@H+]2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)cc1 ZINC000012183074 570619836 /nfs/dbraw/zinc/61/98/36/570619836.db2.gz XJPRCFDKBLIFEL-UHFFFAOYSA-N 1 0 395.507 2.523 40 0 GFABRO Cc1c(C[N@@H+]2C[C@@H](c3ccccc3)C3(C2)CCCCC3)c(=O)n(C)c(=O)n1C ZINC000012228080 570629119 /nfs/dbraw/zinc/62/91/19/570629119.db2.gz FMTZDHHVGVTVMX-FQEVSTJZSA-N 1 0 381.520 2.942 40 0 GFABRO CCn1nc(CC(=O)N2CCCC[C@H]2C[NH+]2CCCCC2)c2ccccc2c1=O ZINC000012238141 570629512 /nfs/dbraw/zinc/62/95/12/570629512.db2.gz NNKOMRQETMJKHA-SFHVURJKSA-N 1 0 396.535 2.826 40 0 GFABRO O=C(Cc1ccc2c(c1)CCC2)NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012290976 570632910 /nfs/dbraw/zinc/63/29/10/570632910.db2.gz SDZCAZWYPZNZAF-UHFFFAOYSA-N 1 0 396.506 2.957 40 0 GFABRO CCOc1ccc(C(=O)NCC[NH+]2CCC(O)(c3cccc(F)c3)CC2)cc1 ZINC000012290861 570632924 /nfs/dbraw/zinc/63/29/24/570632924.db2.gz UIXKDULVWRUZLW-UHFFFAOYSA-N 1 0 386.467 2.938 40 0 GFABRO CCC[N@@H+]1C[C@H](NC(=O)c2nn(C)cc2Cl)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364788 570646657 /nfs/dbraw/zinc/64/66/57/570646657.db2.gz NPDSPNDDZFIRNM-WBVHZDCISA-N 1 0 376.888 2.690 40 0 GFABRO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)C1 ZINC000072341145 570880891 /nfs/dbraw/zinc/88/08/91/570880891.db2.gz CFECCYGMHUMAFX-MGPUTAFESA-N 1 0 393.491 2.630 40 0 GFABRO COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000017077191 570916356 /nfs/dbraw/zinc/91/63/56/570916356.db2.gz WLVUQSJTGVXEDH-FQEVSTJZSA-N 1 0 377.444 2.949 40 0 GFABRO O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@@]2(CC[N@@H+]2C[C@H]2CCCO2)C1 ZINC000585101708 570926878 /nfs/dbraw/zinc/92/68/78/570926878.db2.gz AOKZISPLNXBFRT-CRAIPNDOSA-N 1 0 383.414 2.960 40 0 GFABRO C[N@@H+](Cc1cccnc1)C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(O)cc1)CC2 ZINC000585103418 570931962 /nfs/dbraw/zinc/93/19/62/570931962.db2.gz GEYSRUSFIHHMBS-OAQYLSRUSA-N 1 0 395.503 2.931 40 0 GFABRO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000585106019 570936007 /nfs/dbraw/zinc/93/60/07/570936007.db2.gz FCILCPAGBWOSQT-MOPGFXCFSA-N 1 0 387.499 2.524 40 0 GFABRO COc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](C[N@@H+]3CC3CCCCC3)C2)c1 ZINC000585107896 570939538 /nfs/dbraw/zinc/93/95/38/570939538.db2.gz CQQMRIZIHURUTE-PXNSSMCTSA-N 1 0 378.538 2.970 40 0 GFABRO COC(=O)c1ccc2c(c1)CCN(c1cc(NCC[NH+](C)C)nc(C3CC3)n1)C2 ZINC000328961946 222806254 /nfs/dbraw/zinc/80/62/54/222806254.db2.gz BFVUEOASJIUHRE-UHFFFAOYSA-N 1 0 395.507 2.677 40 0 GFABRO CCc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328979983 206240107 /nfs/dbraw/zinc/24/01/07/206240107.db2.gz GJUASPSGXQEUEL-IBGZPJMESA-N 1 0 398.507 2.817 40 0 GFABRO C[NH+](C)CCNc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccn2)n1 ZINC000329001323 206240445 /nfs/dbraw/zinc/24/04/45/206240445.db2.gz KDEJWLIUNXKHLX-UHFFFAOYSA-N 1 0 382.899 2.621 40 0 GFABRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)C1 ZINC000000902184 206259686 /nfs/dbraw/zinc/25/96/86/206259686.db2.gz BUNPLGCKECSICJ-QGZVFWFLSA-N 1 0 393.553 2.922 40 0 GFABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NC ZINC000004217021 206260557 /nfs/dbraw/zinc/26/05/57/206260557.db2.gz VBWVFQIJCNAECD-GOSISDBHSA-N 1 0 386.565 2.936 40 0 GFABRO COc1c(C)cccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019235831 207110079 /nfs/dbraw/zinc/11/00/79/207110079.db2.gz CLWOUHQWJJYUBK-MRXNPFEDSA-N 1 0 380.492 2.801 40 0 GFABRO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019078500 207101743 /nfs/dbraw/zinc/10/17/43/207101743.db2.gz RPDOHJNRDBCLNW-CVEARBPZSA-N 1 0 398.482 2.777 40 0 GFABRO COc1cccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)c1 ZINC000019291347 207115278 /nfs/dbraw/zinc/11/52/78/207115278.db2.gz FSCMQSPEYOJCTH-QFIPXVFZSA-N 1 0 392.503 2.833 40 0 GFABRO C[NH+](C)C[C@H]1[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C2CCN1CC2 ZINC000019366383 207118923 /nfs/dbraw/zinc/11/89/23/207118923.db2.gz PIJASLBJPRDNRA-QZNHQXDQSA-N 1 0 386.536 2.632 40 0 GFABRO COc1ccc([C@@H]2C[N@H+](Cc3ccncc3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285519 207110674 /nfs/dbraw/zinc/11/06/74/207110674.db2.gz BXSDOEIXGJPPND-VQTJNVASSA-N 1 0 376.460 2.865 40 0 GFABRO CCn1ncc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccc(OC)cc4)C[C@@H]32)c1C ZINC000019523968 207128309 /nfs/dbraw/zinc/12/83/09/207128309.db2.gz LUXWGRNAAKHRTI-NQIIRXRSSA-N 1 0 382.508 2.957 40 0 GFABRO COc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCc1ccccc1C(=O)N3)OCCO2 ZINC000019550563 207130545 /nfs/dbraw/zinc/13/05/45/207130545.db2.gz NHGLISCFMUQMQT-QHCPKHFHSA-N 1 0 394.471 2.787 40 0 GFABRO Cc1c2ccccc2[nH]c1C(=O)N1CC[C@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019565830 207136488 /nfs/dbraw/zinc/13/64/88/207136488.db2.gz GJARIJMQDRNSSZ-HNNXBMFYSA-N 1 0 388.475 2.809 40 0 GFABRO Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc(C4CC[NH+](C)CC4)ncc3C2)n1 ZINC000019572990 207138635 /nfs/dbraw/zinc/13/86/35/207138635.db2.gz MNFAPVAXLSVACZ-QGZVFWFLSA-N 1 0 396.539 2.635 40 0 GFABRO COc1cccc2[nH]c(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@@H+](C)C4)cc21 ZINC000019590543 207141624 /nfs/dbraw/zinc/14/16/24/207141624.db2.gz GADKYYBKGXNWNW-IBGZPJMESA-N 1 0 391.475 2.932 40 0 GFABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)c1cccc(OC)c1)CC2 ZINC000019711446 207152476 /nfs/dbraw/zinc/15/24/76/207152476.db2.gz HFAYJWWKWYVXQX-MRXNPFEDSA-N 1 0 395.507 2.535 40 0 GFABRO O=C(C[N@H+]1CCC[C@H](Cc2nc3cc(F)ccc3[nH]2)C1)NCc1ccccn1 ZINC000019715560 207153738 /nfs/dbraw/zinc/15/37/38/207153738.db2.gz IIBHVGHBMRYYEV-OAHLLOKOSA-N 1 0 381.455 2.668 40 0 GFABRO Cc1cc2c(cc1C[N@H+](C)Cc1ccccc1N1CCOCC1)n(C)c(=O)n2C ZINC000019715791 207154690 /nfs/dbraw/zinc/15/46/90/207154690.db2.gz XCPBGZCZFIXCIO-UHFFFAOYSA-N 1 0 394.519 2.654 40 0 GFABRO CO[C@H](CN1CC[NH+](C[C@H](O)[C@@H](OC)c2ccccc2)CC1)c1ccccc1 ZINC000030691540 207373636 /nfs/dbraw/zinc/37/36/36/207373636.db2.gz VSTNNAYSCJQCQI-ZRBLBEILSA-N 1 0 384.520 2.740 40 0 in-man GFABRO CN1CC2(CC[NH+](Cc3ccco3)CC2)COc2ccccc2S1(=O)=O ZINC000096037125 208254887 /nfs/dbraw/zinc/25/48/87/208254887.db2.gz FZFDOTWQHDZKFN-UHFFFAOYSA-N 1 0 376.478 2.575 40 0 GFABRO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cccs3)C[C@H]12 ZINC000096058467 208258366 /nfs/dbraw/zinc/25/83/66/208258366.db2.gz GGCXBVIXFUQBIV-RBUKOAKNSA-N 1 0 376.547 2.926 40 0 GFABRO Cc1noc(C)c1C(=O)N1CCC2(C[C@H]([N@H+](C)Cc3cccnc3)CO2)CC1 ZINC000096220883 208285621 /nfs/dbraw/zinc/28/56/21/208285621.db2.gz BBMNTVDYPGICQV-SFHVURJKSA-N 1 0 384.480 2.582 40 0 GFABRO COc1ncccc1C[N@@H+]1CC[C@@]2(C[C@H](OCc3csc(C)n3)CO2)C1 ZINC000096218477 208286259 /nfs/dbraw/zinc/28/62/59/208286259.db2.gz BGLHLMKQWQPXGM-PKOBYXMFSA-N 1 0 375.494 2.805 40 0 GFABRO CNC(=O)[C@@]12CCC3(CC[NH+](Cc4ccc(C)s4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000097952829 208363369 /nfs/dbraw/zinc/36/33/69/208363369.db2.gz CJABJPXRZYPBAV-GHTZIAJQSA-N 1 0 389.565 2.643 40 0 GFABRO CCc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](CNc4ncccn4)O3)C2)cc1 ZINC000306127580 209097516 /nfs/dbraw/zinc/09/75/16/209097516.db2.gz GCPWITIYXUUKQD-IRLDBZIGSA-N 1 0 382.508 2.901 40 0 GFABRO Cc1cccc(C[NH+]2CCN(c3nccn4c(-c5cnn(C)c5)cnc34)CC2)c1 ZINC000306126149 209096579 /nfs/dbraw/zinc/09/65/79/209096579.db2.gz DOHBVEFBFKMHIV-UHFFFAOYSA-N 1 0 387.491 2.760 40 0 GFABRO CC(=O)N1CCC([NH2+]C[C@H]2COCc3nc4cc(C(F)(F)F)ccc4n32)CC1 ZINC000096112688 209009347 /nfs/dbraw/zinc/00/93/47/209009347.db2.gz DKHBDEIZIAYSHL-HNNXBMFYSA-N 1 0 396.413 2.727 40 0 biogenic,in-vitro GFABRO CN(C)C(=O)c1sc2nccnc2c1C1CC[NH+](C2CCN(C)CC2)CC1 ZINC000257217623 209058283 /nfs/dbraw/zinc/05/82/83/209058283.db2.gz CZUREKRTDQJTDK-UHFFFAOYSA-N 1 0 387.553 2.667 40 0 GFABRO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000257250706 209060396 /nfs/dbraw/zinc/06/03/96/209060396.db2.gz JNRUDQBCAHELSL-HSZRJFAPSA-N 1 0 397.519 2.595 40 0 GFABRO CNC(=O)[C@]1(C)CCCN(C(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)C1 ZINC000257273940 209066971 /nfs/dbraw/zinc/06/69/71/209066971.db2.gz NIVSEWOTLWYQAP-HSZRJFAPSA-N 1 0 394.519 2.799 40 0 GFABRO O=C(CO)N1CC[C@H]2[C@@H](C1)[C@H](c1cccc(F)c1F)C[N@@H+]2Cc1ccccc1 ZINC000257282209 209067193 /nfs/dbraw/zinc/06/71/93/209067193.db2.gz OSWJNYYRMQYJGH-BJLQDIEVSA-N 1 0 386.442 2.774 40 0 GFABRO Cc1ccccc1C[N@@H+]1CC[C@]2(C1)COCc1c(C)nc(N3CCOCC3)nc12 ZINC000096244579 136185741 /nfs/dbraw/zinc/18/57/41/136185741.db2.gz UKRVARDUBIEVTF-QHCPKHFHSA-N 1 0 394.519 2.604 40 0 GFABRO CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)C[N@@H+](Cc3cccc(C)n3)[C@@H]2C1 ZINC000257322146 209074576 /nfs/dbraw/zinc/07/45/76/209074576.db2.gz WETIXYJJVJFRRB-AFXVXQJMSA-N 1 0 379.504 2.587 40 0 GFABRO O=C(CC1(O)CCCCC1)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257315358 209074872 /nfs/dbraw/zinc/07/48/72/209074872.db2.gz VAZFOUFSEGHKAS-IBGZPJMESA-N 1 0 388.499 2.546 40 0 GFABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)CC1 ZINC000072346253 222232891 /nfs/dbraw/zinc/23/28/91/222232891.db2.gz HHOMLTGPCQIOKJ-QGZVFWFLSA-N 1 0 397.498 2.913 40 0 GFABRO CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)NCC1CCCCC1 ZINC000225401486 560043688 /nfs/dbraw/zinc/04/36/88/560043688.db2.gz XGNBKMKOEVFVQW-VQTJNVASSA-N 1 0 387.524 2.643 40 0 biogenic,in-vitro GFABRO CC(C)(O)COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3ccc(F)c(F)c3)C2)cc1 ZINC000585273407 570241493 /nfs/dbraw/zinc/24/14/93/570241493.db2.gz UQDRCHUODXRBFS-PMACEKPBSA-N 1 0 393.430 2.739 40 0 GFABRO CC(C)(O)COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC000585273471 570241787 /nfs/dbraw/zinc/24/17/87/570241787.db2.gz VULYTXZFKYIPML-PMACEKPBSA-N 1 0 375.440 2.600 40 0 GFABRO CCOC(=O)N1CCC([NH+]2CCC(O)(COc3ccc(F)cc3)CC2)CC1 ZINC000585281361 570249328 /nfs/dbraw/zinc/24/93/28/570249328.db2.gz IOVQJWIVDUXJOF-UHFFFAOYSA-N 1 0 380.460 2.652 40 0 GFABRO Cn1nc(C(C)(C)C)cc1C(=O)Nc1nnc(CC[NH+]2CCCCC2)s1 ZINC000035314378 570468621 /nfs/dbraw/zinc/46/86/21/570468621.db2.gz ZJGJVMQGUVJRIC-UHFFFAOYSA-N 1 0 376.530 2.850 40 0 GFABRO C[N@@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@H](O)COc1ccccc1 ZINC000257266366 570487834 /nfs/dbraw/zinc/48/78/34/570487834.db2.gz MCRJGJOFKFEQBW-FQEVSTJZSA-N 1 0 381.476 2.834 40 0 GFABRO C[NH+](C)[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCO2 ZINC000012203818 570625449 /nfs/dbraw/zinc/62/54/49/570625449.db2.gz VKXOYWDROLEZQN-GOSISDBHSA-N 1 0 395.459 2.575 40 0 GFABRO C[NH+](C)[C@@H](CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc2c(c1)OCO2 ZINC000012203742 570625661 /nfs/dbraw/zinc/62/56/61/570625661.db2.gz BBJZACQAJAKYRJ-HNAYVOBHSA-N 1 0 388.851 2.791 40 0 GFABRO COc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 ZINC000012366336 570647231 /nfs/dbraw/zinc/64/72/31/570647231.db2.gz ZXDHHSAMJPHRST-LIMIJEPZSA-N 1 0 395.503 2.687 40 0 GFABRO COc1ccc(CN(C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3ccccc3Cl)[C@@H]2O)cc1 ZINC000585262432 570715679 /nfs/dbraw/zinc/71/56/79/570715679.db2.gz CMTIIMAROVARLH-LMCOJAPRSA-N 1 0 376.884 2.689 40 0 GFABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2)CC1 ZINC000006287905 570740869 /nfs/dbraw/zinc/74/08/69/570740869.db2.gz KSRNVMRWOPUAQC-KPKJPENVSA-N 1 0 380.517 2.965 40 0 GFABRO COc1ccc(/C=C/C(=O)NCCC[NH+]2CCC(C)CC2)c(OC)c1OC ZINC000013669626 570770492 /nfs/dbraw/zinc/77/04/92/570770492.db2.gz MGCXGWXTDQODNC-VQHVLOKHSA-N 1 0 376.497 2.964 40 0 GFABRO O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 ZINC000072339090 570879960 /nfs/dbraw/zinc/87/99/60/570879960.db2.gz FKCUFWNDTOMWDZ-PSHPWPFNSA-N 1 0 397.519 2.543 40 0 GFABRO CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 ZINC000014607411 570893221 /nfs/dbraw/zinc/89/32/21/570893221.db2.gz VJMHLJULSQVBJT-XHDPSFHLSA-N 1 0 399.274 2.900 40 0 GFABRO O=C1CO[C@@](c2nccs2)(C2CC[NH+](Cc3ccccc3F)CC2)CN1 ZINC000019696655 570894891 /nfs/dbraw/zinc/89/48/91/570894891.db2.gz DQRWERLFBXQEEX-LJQANCHMSA-N 1 0 375.469 2.536 40 0 GFABRO Cc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CC4CCCC4)C[C@@H]23)c1 ZINC000585106258 570936474 /nfs/dbraw/zinc/93/64/74/570936474.db2.gz ZSROCFNICQUBSD-RTWAWAEBSA-N 1 0 395.547 2.838 40 0 GFABRO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@@H]1C[N@@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306144179 209108549 /nfs/dbraw/zinc/10/85/49/209108549.db2.gz YYCRLPCVRVYQQC-NVXWUHKLSA-N 1 0 398.532 2.597 40 0 GFABRO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)cc1 ZINC000306142031 209108213 /nfs/dbraw/zinc/10/82/13/209108213.db2.gz WNKDGLRNSUPCJZ-FCHUYYIVSA-N 1 0 388.471 2.973 40 0 GFABRO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@@H](C)CO)[nH+]c(C(C)C)n1)C2 ZINC000328999386 206240421 /nfs/dbraw/zinc/24/04/21/206240421.db2.gz JWYGHGPUZZURLN-AWEZNQCLSA-N 1 0 384.480 2.742 40 0 GFABRO C[NH+](C)CCCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccncc2)n1 ZINC000329003911 206240640 /nfs/dbraw/zinc/24/06/40/206240640.db2.gz KPIBEBXRZBDFMT-UHFFFAOYSA-N 1 0 398.461 2.636 40 0 GFABRO CNc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329030658 206242504 /nfs/dbraw/zinc/24/25/04/206242504.db2.gz QELOUEKSFAACEB-UHFFFAOYSA-N 1 0 395.429 2.729 40 0 GFABRO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@@H]1C[N@@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306140047 209107050 /nfs/dbraw/zinc/10/70/50/209107050.db2.gz UIFQRKLAPBZBPY-RHSMWYFYSA-N 1 0 398.532 2.597 40 0 GFABRO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306140319 209105868 /nfs/dbraw/zinc/10/58/68/209105868.db2.gz UPRKFLVGQDOYPL-CABCVRRESA-N 1 0 385.899 2.518 40 0 GFABRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H](O)c2ccc3c(c2)CCO3)CC1 ZINC000019021060 207100468 /nfs/dbraw/zinc/10/04/68/207100468.db2.gz BTPICNHHCPTRKN-OAQYLSRUSA-N 1 0 380.488 2.782 40 0 GFABRO Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)cc1 ZINC000019135911 207104506 /nfs/dbraw/zinc/10/45/06/207104506.db2.gz SCTPXFWAHVPNQQ-FUHWJXTLSA-N 1 0 394.519 2.576 40 0 GFABRO Cc1ccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000019210747 207106572 /nfs/dbraw/zinc/10/65/72/207106572.db2.gz PLUDSJRTHPBDAA-LJQANCHMSA-N 1 0 380.492 2.952 40 0 GFABRO Cc1ccc2cc(C(=O)N3CC[C@@H](c4nn(CC[NH3+])c5ncccc45)C3)[nH]c2c1 ZINC000019221759 207108372 /nfs/dbraw/zinc/10/83/72/207108372.db2.gz CRZRLLBHOINBCZ-MRXNPFEDSA-N 1 0 388.475 2.809 40 0 GFABRO COc1c(C)cccc1C(=O)N1CCc2nc(C3CC[NH+](C)CC3)ncc2C1 ZINC000019235857 207108883 /nfs/dbraw/zinc/10/88/83/207108883.db2.gz AQARCVGUBFIADT-UHFFFAOYSA-N 1 0 380.492 2.801 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1OC ZINC000019239175 207110891 /nfs/dbraw/zinc/11/08/91/207110891.db2.gz TXOSSLDRUXFTOW-HNNXBMFYSA-N 1 0 381.436 2.842 40 0 GFABRO Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)n1 ZINC000019572899 207137688 /nfs/dbraw/zinc/13/76/88/207137688.db2.gz IWZCHNXLAKDKNH-YLJYHZDGSA-N 1 0 396.539 2.983 40 0 GFABRO COc1ccc(OC)c(C(=O)N2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019551084 207131376 /nfs/dbraw/zinc/13/13/76/207131376.db2.gz OPDFYHFJKHUVLT-SFHVURJKSA-N 1 0 382.464 2.507 40 0 GFABRO COc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCCCC2)cc1 ZINC000019556948 207131749 /nfs/dbraw/zinc/13/17/49/207131749.db2.gz CAGDCRCNGWPSHF-XEWABKELSA-N 1 0 378.538 2.970 40 0 GFABRO COc1cccc(C(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c1OC ZINC000019590697 207140695 /nfs/dbraw/zinc/14/06/95/207140695.db2.gz LRLYKAHBYSSGEZ-UHFFFAOYSA-N 1 0 396.491 2.502 40 0 GFABRO COc1cccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c1OC ZINC000019590454 207142161 /nfs/dbraw/zinc/14/21/61/207142161.db2.gz HSCHTLIFZBLGOY-OAHLLOKOSA-N 1 0 396.491 2.502 40 0 GFABRO Cc1ccc2cc(C(=O)N3CCc4nnc([C@H]5CCC[N@@H+](C)C5)n4CC3)[nH]c2c1 ZINC000019709260 207150331 /nfs/dbraw/zinc/15/03/31/207150331.db2.gz GJKOMFQYHNGYIM-KRWDZBQOSA-N 1 0 392.507 2.576 40 0 GFABRO CC(=O)N1CCc2nnc(C3CC[NH+](Cc4cccc(Cl)c4)CC3)n2CC1 ZINC000019709439 207150502 /nfs/dbraw/zinc/15/05/02/207150502.db2.gz ADNLDVXPVNQQDE-UHFFFAOYSA-N 1 0 387.915 2.716 40 0 GFABRO Cc1cccc2[nH]c(C(=O)N3CCC(c4nnc5n4CC[N@@H+](C)CC5)CC3)cc21 ZINC000019709402 207151327 /nfs/dbraw/zinc/15/13/27/207151327.db2.gz BNYMYLWJJCATSA-UHFFFAOYSA-N 1 0 392.507 2.576 40 0 GFABRO Cc1cc(CCCC(=O)N2CCn3c(nnc3[C@H]3CCC[N@@H+](C)C3)C2)ccc1F ZINC000019711125 207152771 /nfs/dbraw/zinc/15/27/71/207152771.db2.gz OVPKBGKVRXYYFF-SFHVURJKSA-N 1 0 399.514 2.900 40 0 GFABRO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000020110890 207179131 /nfs/dbraw/zinc/17/91/31/207179131.db2.gz VAFUQQIGKYEBKG-UHFFFAOYSA-N 1 0 395.912 2.741 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020636738 207208522 /nfs/dbraw/zinc/20/85/22/207208522.db2.gz PZPLRGQCASCTNS-OALUTQOASA-N 1 0 395.434 2.590 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(C)c1 ZINC000020636884 207209570 /nfs/dbraw/zinc/20/95/70/207209570.db2.gz XOOXWDQEPNQMHK-VQTJNVASSA-N 1 0 391.471 2.760 40 0 GFABRO C[C@@](O)(c1ccccc1)[C@H]([C@@H](c1ccccc1)N1CCOCC1)[NH+]1CCOCC1 ZINC000022033270 207244750 /nfs/dbraw/zinc/24/47/50/207244750.db2.gz MFDVLMOVSSULIJ-TZRRMPRUSA-N 1 0 396.531 2.668 40 0 GFABRO [NH2+]=C1NC2=C(CN(c3ccc(Br)cc3)C2=O)[C@@H](c2ccccc2)N1 ZINC000031717065 207385046 /nfs/dbraw/zinc/38/50/46/207385046.db2.gz GDEXKWLYGFZBDC-OAHLLOKOSA-N 1 0 383.249 2.709 40 0 GFABRO CCOCc1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CC[N@@H+](C)C3)cc1 ZINC000072373988 208007623 /nfs/dbraw/zinc/00/76/23/208007623.db2.gz QBOFZIOUJFRCHM-GOSISDBHSA-N 1 0 383.496 2.627 40 0 GFABRO COCC[NH+]1CCN(c2ccc3ccc(C(=O)NCc4cccs4)cn32)CC1 ZINC000096155906 208279173 /nfs/dbraw/zinc/27/91/73/208279173.db2.gz IEEWGVNUVIGKIE-UHFFFAOYSA-N 1 0 398.532 2.699 40 0 GFABRO COC[C@@H]1CC2(CN1c1ncccn1)CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000096051808 208255837 /nfs/dbraw/zinc/25/58/37/208255837.db2.gz STUGPBLRTFENMN-IBGZPJMESA-N 1 0 382.508 2.993 40 0 GFABRO O=C(c1cccc2cccnc21)N1CCC[C@@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075570 208258303 /nfs/dbraw/zinc/25/83/03/208258303.db2.gz FSFLDAVGWKYQHZ-WZONZLPQSA-N 1 0 395.503 2.578 40 0 GFABRO O=C(c1cccc2ncccc21)N1CCC[C@@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075566 208259579 /nfs/dbraw/zinc/25/95/79/208259579.db2.gz QVELOOZWONSYLM-WZONZLPQSA-N 1 0 395.503 2.578 40 0 GFABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCCCN2CCCC2=O)Cc2c[nH]c3cccc1c23 ZINC000049171372 208452145 /nfs/dbraw/zinc/45/21/45/208452145.db2.gz FSRDOZILCJWBGZ-PMACEKPBSA-N 1 0 396.535 2.898 40 0 biogenic,in-vitro GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306133256 209101621 /nfs/dbraw/zinc/10/16/21/209101621.db2.gz MGUDTYBXZFRPQL-GJZGRUSLSA-N 1 0 379.489 2.896 40 0 GFABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccn2)on1)NCc1cccnc1 ZINC000012482265 208770614 /nfs/dbraw/zinc/77/06/14/208770614.db2.gz NGYROEHYCKENQJ-ROUUACIJSA-N 1 0 391.475 2.606 40 0 biogenic,in-vitro GFABRO O=c1c(-c2cccnc2)nnc2n1CCC21CC[NH+](CCc2ccccc2)CC1 ZINC000306126597 209098021 /nfs/dbraw/zinc/09/80/21/209098021.db2.gz DZUSXWGINNKPIF-UHFFFAOYSA-N 1 0 387.487 2.680 40 0 GFABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1)c1cnccn1 ZINC000257284999 209069648 /nfs/dbraw/zinc/06/96/48/209069648.db2.gz PFFGALZPYVZPNR-FUDKSRODSA-N 1 0 394.519 2.544 40 0 GFABRO CN(c1ccc(F)cc1)[C@@H]1COC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC000257287750 209069715 /nfs/dbraw/zinc/06/97/15/209069715.db2.gz PRJFFOUREWAOQQ-IBGZPJMESA-N 1 0 375.488 2.508 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)N2CCC[N@H+](C)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000257302699 209071742 /nfs/dbraw/zinc/07/17/42/209071742.db2.gz SDYMFDPRFXCHIO-MJGOQNOKSA-N 1 0 377.916 2.804 40 0 GFABRO CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096050143 136183374 /nfs/dbraw/zinc/18/33/74/136183374.db2.gz BZIGGYLHNBMFLW-QFIPXVFZSA-N 1 0 381.451 2.666 40 0 GFABRO Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC[C@@](O)(C[NH+]4CCCC4)CC3)c2c1 ZINC000257311815 209075387 /nfs/dbraw/zinc/07/53/87/209075387.db2.gz ULDJHELYODMIMD-QFIPXVFZSA-N 1 0 383.492 2.702 40 0 GFABRO Cc1cccnc1Nc1cncc(C2CC[NH+](CC(=O)N3CCCC3)CC2)n1 ZINC000257341347 209079344 /nfs/dbraw/zinc/07/93/44/209079344.db2.gz ZJYOUXQQXIWKLC-UHFFFAOYSA-N 1 0 380.496 2.725 40 0 GFABRO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000072346127 222232780 /nfs/dbraw/zinc/23/27/80/222232780.db2.gz SKPFHOWHXJTDMQ-INIZCTEOSA-N 1 0 383.471 2.667 40 0 GFABRO CC(=O)N1CC[N@@H+](C2CCCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284224 570253474 /nfs/dbraw/zinc/25/34/74/570253474.db2.gz VWDRGDOXPCPPSE-NRFANRHFSA-N 1 0 378.488 2.741 40 0 GFABRO CC(=O)N1CCCC[C@H]2[C@@H]1CC[N@@H+]2CC1(O)CCN(c2ccc(C)cc2)CC1 ZINC000585285535 570254593 /nfs/dbraw/zinc/25/45/93/570254593.db2.gz ZETOWGFKJSDDMZ-VXKWHMMOSA-N 1 0 385.552 2.802 40 0 GFABRO Cc1csc(Nc2cc([C@@H]3CCN(C(=O)/C=C/C[NH+](C)C)C3)nc(C)n2)n1 ZINC000585291778 570260284 /nfs/dbraw/zinc/26/02/84/570260284.db2.gz FZXLDMMOCQOOCX-LLYBFZRZSA-N 1 0 386.525 2.727 40 0 GFABRO CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCC[NH3+])C[C@@H]2OC(=O)C(Cl)(Cl)Cl ZINC000085398706 570320668 /nfs/dbraw/zinc/32/06/68/570320668.db2.gz RFTGQCIGPGBFLY-QCZZGDTMSA-N 1 0 385.719 2.560 40 0 GFABRO CC(C)(C)n1nnnc1[C@@H](c1ccncc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022457875 570347258 /nfs/dbraw/zinc/34/72/58/570347258.db2.gz UUBDNYFPVBOGJK-LJQANCHMSA-N 1 0 383.544 2.863 40 0 GFABRO CC(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3cccc(Cl)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382061 570353081 /nfs/dbraw/zinc/35/30/81/570353081.db2.gz BNYJALUBFSZOSP-UAFMIMERSA-N 1 0 389.927 2.944 40 0 biogenic,in-vitro GFABRO CCCCCC[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382573 570353467 /nfs/dbraw/zinc/35/34/67/570353467.db2.gz SFMYFMMHHYMGPT-XRXFAXGQSA-N 1 0 384.524 2.609 40 0 biogenic,in-vitro GFABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]CC2CCCCC2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382196 570353521 /nfs/dbraw/zinc/35/35/21/570353521.db2.gz JXUBJTNCLGIIGI-GXRSIYKFSA-N 1 0 396.535 2.609 40 0 biogenic,in-vitro GFABRO C[NH+]1CCN(CCCNC(=O)CSCc2c(Cl)cccc2Cl)CC1 ZINC000022829377 570377485 /nfs/dbraw/zinc/37/74/85/570377485.db2.gz OFESSDCZGOHLCF-UHFFFAOYSA-N 1 0 390.380 2.980 40 0 GFABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 ZINC000223254504 570453122 /nfs/dbraw/zinc/45/31/22/570453122.db2.gz HEZUABSYFCHVGY-VQTJNVASSA-N 1 0 392.532 2.801 40 0 GFABRO Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCC[NH+](C)C)c2)cc1 ZINC000224262292 570506342 /nfs/dbraw/zinc/50/63/42/570506342.db2.gz LSRXNTBKOHUXRB-UHFFFAOYSA-N 1 0 389.521 2.502 40 0 GFABRO COc1ccc(F)cc1S(=O)(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224637233 570522072 /nfs/dbraw/zinc/52/20/72/570522072.db2.gz SVESUCWZBPLKBF-UHFFFAOYSA-N 1 0 378.469 2.909 40 0 GFABRO COC(=O)c1ccc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000225210870 570556519 /nfs/dbraw/zinc/55/65/19/570556519.db2.gz BDGFEFDYJIAJGQ-UHFFFAOYSA-N 1 0 395.528 2.955 40 0 GFABRO COc1ccc(OC)c([C@@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 ZINC000036734386 570568663 /nfs/dbraw/zinc/56/86/63/570568663.db2.gz ZHQHRAXXBPQXFL-PXNSSMCTSA-N 1 0 390.524 2.852 40 0 GFABRO CCOC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC000038836314 570587176 /nfs/dbraw/zinc/58/71/76/570587176.db2.gz OMNZALSRRKNOKR-KRWDZBQOSA-N 1 0 393.915 2.853 40 0 GFABRO COCCn1c(C)cc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1C ZINC000012122488 570612970 /nfs/dbraw/zinc/61/29/70/570612970.db2.gz WSZRXHMEQICJFT-UHFFFAOYSA-N 1 0 393.491 2.867 40 0 GFABRO Cc1nn(C)cc1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000012239289 570629966 /nfs/dbraw/zinc/62/99/66/570629966.db2.gz ILEIFNNAOFXNKE-SFHVURJKSA-N 1 0 376.526 2.624 40 0 GFABRO CCOc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012292377 570633446 /nfs/dbraw/zinc/63/34/46/570633446.db2.gz CBAHOWOWCSFXRP-LJQANCHMSA-N 1 0 385.460 2.831 40 0 GFABRO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC[NH+](C)C)c2C)cc1 ZINC000010369257 570789592 /nfs/dbraw/zinc/78/95/92/570789592.db2.gz XTUIYKIGYMSQQA-UHFFFAOYSA-N 1 0 389.521 2.786 40 0 GFABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)CC3=CCCOC3)CC2)nn1C ZINC000257219738 570889894 /nfs/dbraw/zinc/88/98/94/570889894.db2.gz DHYVXMABIDGJFU-KESTWPANSA-N 1 0 388.556 2.951 40 0 GFABRO CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C)cc3Cl)C2=O)C1 ZINC000014607427 570893140 /nfs/dbraw/zinc/89/31/40/570893140.db2.gz DLDAEOMDHGTYPP-XJKSGUPXSA-N 1 0 378.856 2.555 40 0 GFABRO COCC[N@@H+]1C[C@H](COCC2CC2)C2(C1)CCN(Cc1cc(C)on1)CC2 ZINC000585102701 570931099 /nfs/dbraw/zinc/93/10/99/570931099.db2.gz BBGSWBSPXVMBOY-LJQANCHMSA-N 1 0 377.529 2.570 40 0 GFABRO CCCN1CCN(C(=O)C[NH3+])C[C@@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O ZINC000585183583 571000724 /nfs/dbraw/zinc/00/07/24/571000724.db2.gz DSXRDKBCZOKSDD-JOCHJYFZSA-N 1 0 393.531 2.860 40 0 GFABRO COc1cc2c(cc1OC)CN(c1cc(NCCCO)[nH+]c(C3CC3)n1)CC2 ZINC000328968411 571048058 /nfs/dbraw/zinc/04/80/58/571048058.db2.gz CYPRNGNUKTZBPX-UHFFFAOYSA-N 1 0 384.480 2.728 40 0 GFABRO Cc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@@H](C)CO)[nH+]1 ZINC000329003438 206241526 /nfs/dbraw/zinc/24/15/26/206241526.db2.gz KNFCZBWNHOCJEJ-LBPRGKRZSA-N 1 0 377.286 2.903 40 0 GFABRO Cc1nc(N2CCc3cc(Br)ccc3C2)cc(N[C@H](C)CO)[nH+]1 ZINC000329031190 206242830 /nfs/dbraw/zinc/24/28/30/206242830.db2.gz QHISMVKXFPLMND-LLVKDONJSA-N 1 0 377.286 2.903 40 0 GFABRO COc1cccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 ZINC000306139383 209106224 /nfs/dbraw/zinc/10/62/24/209106224.db2.gz SVWCZTZYFSVKMK-FGZHOGPDSA-N 1 0 388.471 2.973 40 0 GFABRO CC(C)c1ccc(C[N@@H+]2C[C@H]3CCn4c(C(=O)NC5CC5)nnc4[C@@H]3C2)cc1 ZINC000306140556 209105793 /nfs/dbraw/zinc/10/57/93/209105793.db2.gz UXELOJHQQSGGEJ-IEBWSBKVSA-N 1 0 379.508 2.913 40 0 GFABRO C[C@H](Oc1ccccc1F)C(=O)N1CCc2nc(C3CC[NH+](C)CC3)ncc2C1 ZINC000019079482 207100441 /nfs/dbraw/zinc/10/04/41/207100441.db2.gz CXPMOVBPKMCQAU-HNNXBMFYSA-N 1 0 398.482 2.777 40 0 GFABRO CC(=O)N1CCc2nc([C@H]3CC[N@H+](CCOc4cccc(C)c4)C3)ncc2C1 ZINC000019235187 207110262 /nfs/dbraw/zinc/11/02/62/207110262.db2.gz JMVWQDDTJDHDLO-SFHVURJKSA-N 1 0 380.492 2.558 40 0 GFABRO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019078773 207101060 /nfs/dbraw/zinc/10/10/60/207101060.db2.gz YJCLPKUGIOVFLJ-AUUYWEPGSA-N 1 0 384.455 2.735 40 0 GFABRO COc1ccccc1O[C@H](C)C(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019079001 207101131 /nfs/dbraw/zinc/10/11/31/207101131.db2.gz ISWFOHMFCFPULT-QAPCUYQASA-N 1 0 396.491 2.652 40 0 GFABRO CC(=O)NCCn1nc([C@H]2CC[N@H+](Cc3ccccc3C)C2)c2cccnc21 ZINC000019237164 207110497 /nfs/dbraw/zinc/11/04/97/207110497.db2.gz SQCWZSFLMHRQCZ-IBGZPJMESA-N 1 0 377.492 2.865 40 0 GFABRO Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c(C)c1 ZINC000019132750 207104103 /nfs/dbraw/zinc/10/41/03/207104103.db2.gz ZETCNIYSUQQDMZ-ROUUACIJSA-N 1 0 394.519 2.913 40 0 GFABRO COc1cccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c1 ZINC000019131343 207104493 /nfs/dbraw/zinc/10/44/93/207104493.db2.gz ABJIKTQFPVRRND-QIDMFYOTSA-N 1 0 383.492 2.509 40 0 GFABRO Cc1ccc(OC(C)(C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019210759 207106385 /nfs/dbraw/zinc/10/63/85/207106385.db2.gz CIKBVYCSOVBUEU-KRWDZBQOSA-N 1 0 394.519 2.994 40 0 GFABRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(-c4cccnc4)nn3C)CC2)cn1 ZINC000019214929 207108117 /nfs/dbraw/zinc/10/81/17/207108117.db2.gz PCBQAYZBTSPDOB-UHFFFAOYSA-N 1 0 390.491 2.580 40 0 GFABRO CC(=O)NCCn1nc([C@@H]2CC[N@H+](Cc3ccccc3C)C2)c2cccnc21 ZINC000019237163 207111514 /nfs/dbraw/zinc/11/15/14/207111514.db2.gz SQCWZSFLMHRQCZ-LJQANCHMSA-N 1 0 377.492 2.865 40 0 GFABRO O=C(COc1ccc(F)cc1F)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019293075 207114138 /nfs/dbraw/zinc/11/41/38/207114138.db2.gz LTHSTOJUSIJTBJ-KRWDZBQOSA-N 1 0 388.418 2.533 40 0 GFABRO c1cncc(Oc2nc(N3CCCC3)nc3c2CC[N@@H+](C[C@@H]2CCOC2)C3)c1 ZINC000019339875 207116683 /nfs/dbraw/zinc/11/66/83/207116683.db2.gz XEQZSDFANIGZFY-INIZCTEOSA-N 1 0 381.480 2.659 40 0 GFABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21)c1cc2ccc(F)cc2[nH]1 ZINC000019346770 207118282 /nfs/dbraw/zinc/11/82/82/207118282.db2.gz WIXHIPCXQCSLBH-CQSZACIVSA-N 1 0 392.438 2.559 40 0 GFABRO COc1cc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)nc(OC)n1 ZINC000019550355 207129823 /nfs/dbraw/zinc/12/98/23/207129823.db2.gz ISWRCDJNGFUMKX-UHFFFAOYSA-N 1 0 384.480 2.800 40 0 GFABRO CCOc1ccc(CCC(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019533161 207130208 /nfs/dbraw/zinc/13/02/08/207130208.db2.gz KYMFKYBLOLVDIU-SFHVURJKSA-N 1 0 394.519 2.860 40 0 GFABRO C[NH+](C)[C@@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccc2c(c1)OCO2 ZINC000019581494 207140013 /nfs/dbraw/zinc/14/00/13/207140013.db2.gz LNMSTCIERDYWNW-SFHVURJKSA-N 1 0 396.422 2.773 40 0 GFABRO Nc1n[nH]c2nc([C@@H]3CCCCN3C(=O)C[NH+]3CCCC3)cc(C(F)(F)F)c12 ZINC000019695539 207149014 /nfs/dbraw/zinc/14/90/14/207149014.db2.gz MGVOLBZBSYRBOX-ZDUSSCGKSA-N 1 0 396.417 2.708 40 0 GFABRO C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)CCc3nc4ccccc4[nH]3)ncc2C1 ZINC000019590502 207142828 /nfs/dbraw/zinc/14/28/28/207142828.db2.gz PFTYEGPISJSKEX-IBGZPJMESA-N 1 0 390.491 2.637 40 0 GFABRO CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C[NH+]2CCCC2)c1 ZINC000019659633 207145202 /nfs/dbraw/zinc/14/52/02/207145202.db2.gz PAMPYUDSKZXPLD-UHFFFAOYSA-N 1 0 391.468 2.582 40 0 GFABRO C[C@H](NC(=O)C1CC[NH+](CCc2ccccn2)CC1)c1ccc2c(c1)OCCO2 ZINC000019654771 207145966 /nfs/dbraw/zinc/14/59/66/207145966.db2.gz PZDXCAIHQZDHRB-KRWDZBQOSA-N 1 0 395.503 2.985 40 0 GFABRO C[N@H+]1CCc2nnc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2CC1 ZINC000019710792 207152324 /nfs/dbraw/zinc/15/23/24/207152324.db2.gz MJSZCLKFPPKFEK-GOSISDBHSA-N 1 0 385.487 2.592 40 0 GFABRO C[NH+](C)CCCN1CN=C2NC3(CCCCC3)n3c4ccccc4nc3N2C1 ZINC000020676457 207210764 /nfs/dbraw/zinc/21/07/64/207210764.db2.gz LFPQEMOCYHNCAO-UHFFFAOYSA-N 1 0 381.528 2.601 40 0 GFABRO Cc1cc(C)n([C@@H](C)CC(=O)NC[C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)n1 ZINC000022888217 207262954 /nfs/dbraw/zinc/26/29/54/207262954.db2.gz RDAZQZRCLWKNEX-RBBKRZOGSA-N 1 0 397.567 2.864 40 0 GFABRO CC[N@@H+]1CC[C@@]2(C(=O)N3CCCC3)CCN(C(=O)c3cccc(OC)c3)CC[C@@H]12 ZINC000096145334 208274913 /nfs/dbraw/zinc/27/49/13/208274913.db2.gz HMQGMSYVNMLTBV-NFBKMPQASA-N 1 0 399.535 2.634 40 0 GFABRO Cn1cc(C[NH+]2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3C)cn1 ZINC000096036980 208255478 /nfs/dbraw/zinc/25/54/78/208255478.db2.gz LYFFPKXXIIDHMV-UHFFFAOYSA-N 1 0 376.508 2.720 40 0 GFABRO O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075560 208257625 /nfs/dbraw/zinc/25/76/25/208257625.db2.gz FLIIGXYNECDLFU-HTAPYJJXSA-N 1 0 383.492 2.511 40 0 GFABRO O=C(c1cccc2ncccc21)N1CCC[C@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075567 208259007 /nfs/dbraw/zinc/25/90/07/208259007.db2.gz QVELOOZWONSYLM-MBSDFSHPSA-N 1 0 395.503 2.578 40 0 GFABRO COc1ncccc1C[N@@H+]1CC[C@]2(C[C@@H](OCc3csc(C)n3)CO2)C1 ZINC000096218480 208285920 /nfs/dbraw/zinc/28/59/20/208285920.db2.gz BGLHLMKQWQPXGM-MJGOQNOKSA-N 1 0 375.494 2.805 40 0 GFABRO Cn1cccc1C[N@@H+]1CCOCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000096239872 208293437 /nfs/dbraw/zinc/29/34/37/208293437.db2.gz CAOARHWAORUHLH-UHFFFAOYSA-N 1 0 385.483 2.919 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(NCC4CC4)nc23)cc1 ZINC000096244070 208293646 /nfs/dbraw/zinc/29/36/46/208293646.db2.gz XVVYLVXFSBIPGI-JOCHJYFZSA-N 1 0 380.492 2.981 40 0 GFABRO CC(C)n1cnc2c1[C@@H](C(=O)N1CCC([NH+]3CCCC3)CC1)N(CC1CC1)CC2 ZINC000096265042 208297719 /nfs/dbraw/zinc/29/77/19/208297719.db2.gz GYYQGROWOZODQD-QFIPXVFZSA-N 1 0 399.583 2.860 40 0 GFABRO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@H+](Cc3ccsc3)C2)cc1 ZINC000306135718 209104803 /nfs/dbraw/zinc/10/48/03/209104803.db2.gz OYMVQJCKPXBJHE-OAQYLSRUSA-N 1 0 394.500 2.923 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccc(F)c3)C[C@H]1C2 ZINC000306131051 209099698 /nfs/dbraw/zinc/09/96/98/209099698.db2.gz JVIAUTCSXBNKOV-IAGOWNOFSA-N 1 0 391.450 2.974 40 0 GFABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccoc3)C[C@@H]1C2 ZINC000306126744 209097238 /nfs/dbraw/zinc/09/72/38/209097238.db2.gz FDULWWGQZVCOBF-LSDHHAIUSA-N 1 0 381.411 2.567 40 0 GFABRO Cc1ccc2nc3n(c2c1)[C@@H](C[NH2+]Cc1ccc(S(C)(=O)=O)cc1)COC3 ZINC000096112833 209009231 /nfs/dbraw/zinc/00/92/31/209009231.db2.gz KEEFAZCIOULYPR-INIZCTEOSA-N 1 0 385.489 2.609 40 0 biogenic,in-vitro GFABRO CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1scnc1C)CC2 ZINC000248034235 209029970 /nfs/dbraw/zinc/02/99/70/209029970.db2.gz MWZXIIGCMZXUCI-SFHVURJKSA-N 1 0 377.554 2.939 40 0 GFABRO CC(=O)Nc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)s1 ZINC000257258450 209061640 /nfs/dbraw/zinc/06/16/40/209061640.db2.gz KTXKTGSRSKHOLI-QCUYGVNKSA-N 1 0 376.526 2.887 40 0 GFABRO O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257247262 209058967 /nfs/dbraw/zinc/05/89/67/209058967.db2.gz IYEOVXHQCHDUBG-IBGZPJMESA-N 1 0 392.450 2.651 40 0 GFABRO C[NH+](C)CCOc1cccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c1 ZINC000257305309 209072987 /nfs/dbraw/zinc/07/29/87/209072987.db2.gz SPIVKUUVXPTEPA-GMAHTHKFSA-N 1 0 398.503 2.672 40 0 GFABRO COc1cccc(CNCC[NH2+]C[C@H](C)O)c1OCc1ccc(Cl)cc1 ZINC000022075180 533511159 /nfs/dbraw/zinc/51/11/59/533511159.db2.gz ZKFPJENTPUSONF-HNNXBMFYSA-N 1 0 378.900 2.988 40 0 GFABRO Nc1csc(CC(=O)Nc2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)n1 ZINC000263583845 209082964 /nfs/dbraw/zinc/08/29/64/209082964.db2.gz BZSURCHRZIYBHU-SFHVURJKSA-N 1 0 396.516 2.772 40 0 GFABRO CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000002098896 570298628 /nfs/dbraw/zinc/29/86/28/570298628.db2.gz HCEAKIKVACDQQZ-ZPMCFJSWSA-N 1 0 390.524 2.985 40 0 GFABRO Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCC[NH+](C)C)c1 ZINC000224122319 570499838 /nfs/dbraw/zinc/49/98/38/570499838.db2.gz KGANQWONKGHRCU-UHFFFAOYSA-N 1 0 389.521 2.502 40 0 GFABRO CCOc1ncc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4ccncc4C)C[C@@H]32)c(OCC)n1 ZINC000012134788 570614168 /nfs/dbraw/zinc/61/41/68/570614168.db2.gz MSBQDKBXVDWXEH-LZNRXBQRSA-N 1 0 398.507 2.707 40 0 GFABRO Cc1onc(C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)c1Cn1cccn1 ZINC000012201795 570624940 /nfs/dbraw/zinc/62/49/40/570624940.db2.gz AWNMJTQFSDCFAN-UHFFFAOYSA-N 1 0 397.454 2.761 40 0 GFABRO C[NH+](C)[C@H](CNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1)c1ccc2c(c1)OCO2 ZINC000012203662 570625423 /nfs/dbraw/zinc/62/54/23/570625423.db2.gz VJCPAESDNBZILW-XMSQKQJNSA-N 1 0 395.459 2.718 40 0 GFABRO COc1ccccc1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000012238265 570629455 /nfs/dbraw/zinc/62/94/55/570629455.db2.gz UWGJZPYYTPNJIE-SFHVURJKSA-N 1 0 381.476 2.711 40 0 GFABRO CS(=O)(=O)Nc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1Cl ZINC000044904675 570641141 /nfs/dbraw/zinc/64/11/41/570641141.db2.gz ONANFVFOLJREDU-UHFFFAOYSA-N 1 0 387.933 2.707 40 0 GFABRO CC[N@H+](Cc1c(C)onc1-c1ccccc1)C[C@@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257242397 570768415 /nfs/dbraw/zinc/76/84/15/570768415.db2.gz ICHIHKRZXVJKEI-OAQYLSRUSA-N 1 0 394.479 2.820 40 0 GFABRO COc1ccccc1-c1cc(=O)[nH]c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000014608479 570893980 /nfs/dbraw/zinc/89/39/80/570893980.db2.gz FHRCVMFSHQMUFY-UHFFFAOYSA-N 1 0 376.460 2.768 40 0 GFABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)s2)CC1 ZINC000585106305 570936437 /nfs/dbraw/zinc/93/64/37/570936437.db2.gz QLGHHHKVLJHPLU-UAGQMJEPSA-N 1 0 389.565 2.898 40 0 GFABRO CCCN1CCN(C(=O)C[NH3+])C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183639 571001173 /nfs/dbraw/zinc/00/11/73/571001173.db2.gz XQFGLQOGSWLPRI-NRFANRHFSA-N 1 0 393.531 2.860 40 0 GFABRO COc1ccc(Cl)cc1Nc1cc(-c2ccccn2)nc(NCC[NH+](C)C)n1 ZINC000328969455 571048096 /nfs/dbraw/zinc/04/80/96/571048096.db2.gz DEGJZOILSOKLQW-UHFFFAOYSA-N 1 0 398.898 2.762 40 0 GFABRO S=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCSCC1)Nc1ccccc1 ZINC000020503877 291123779 /nfs/dbraw/zinc/12/37/79/291123779.db2.gz XIRPLXKNZDTNSI-JENIJYKNSA-N 1 0 390.622 2.732 40 0 biogenic,in-vitro GFABRO Cc1nc(N2CCc3ccc(Br)cc3C2)cc(N[C@H](C)CO)[nH+]1 ZINC000329029605 206240275 /nfs/dbraw/zinc/24/02/75/206240275.db2.gz PZLFVNKCRVJBDW-LLVKDONJSA-N 1 0 377.286 2.903 40 0 GFABRO Cc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@H](C)CO)[nH+]1 ZINC000329003437 206240533 /nfs/dbraw/zinc/24/05/33/206240533.db2.gz KNFCZBWNHOCJEJ-GFCCVEGCSA-N 1 0 377.286 2.903 40 0 GFABRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCn4c(C(=O)NC5CC5)nnc4[C@@H]3C2)cc1 ZINC000306140558 209106627 /nfs/dbraw/zinc/10/66/27/209106627.db2.gz UXELOJHQQSGGEJ-PKOBYXMFSA-N 1 0 379.508 2.913 40 0 GFABRO CC(=O)Nc1ccc(C[N@H+]2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1 ZINC000019022507 207101239 /nfs/dbraw/zinc/10/12/39/207101239.db2.gz WHAXCLNMNITHBG-OFNKIYASSA-N 1 0 391.471 2.804 40 0 GFABRO COc1cccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019079284 207101301 /nfs/dbraw/zinc/10/13/01/207101301.db2.gz RLWPNOPZVHVDIG-MGPUTAFESA-N 1 0 396.491 2.652 40 0 GFABRO CC(=O)NCCn1nc([C@@H]2CC[N@H+](Cc3ccccc3F)C2)c2cccnc21 ZINC000019021843 207101913 /nfs/dbraw/zinc/10/19/13/207101913.db2.gz JDWCTAAWCUOVRE-QGZVFWFLSA-N 1 0 381.455 2.696 40 0 GFABRO Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)c(=O)n1C ZINC000019131698 207104796 /nfs/dbraw/zinc/10/47/96/207104796.db2.gz DMUIPTGATMFTKZ-HBMCJLEFSA-N 1 0 397.494 2.973 40 0 GFABRO Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)cc1C ZINC000019214174 207107796 /nfs/dbraw/zinc/10/77/96/207107796.db2.gz QSVMBVZXATYKIJ-ZWKOTPCHSA-N 1 0 394.519 2.913 40 0 GFABRO CC(=O)N1CCc2nc([C@@H]3CC[N@H+](CCOc4cccc(C)c4)C3)ncc2C1 ZINC000019235186 207108927 /nfs/dbraw/zinc/10/89/27/207108927.db2.gz JMVWQDDTJDHDLO-GOSISDBHSA-N 1 0 380.492 2.558 40 0 GFABRO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[nH]c(=O)c2C3)ccc1OC(F)F ZINC000019286348 207113542 /nfs/dbraw/zinc/11/35/42/207113542.db2.gz LDAGHZXEMALIOE-KGLIPLIRSA-N 1 0 391.418 2.820 40 0 GFABRO O=C(CCCc1ccc(F)cc1)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019333614 207116791 /nfs/dbraw/zinc/11/67/91/207116791.db2.gz BEQPXKSEUFVKJF-KRWDZBQOSA-N 1 0 382.483 2.990 40 0 GFABRO C[C@H]1Cc2cc(CCC(=O)N3CCc4nc([C@H]5CCC[NH2+]5)ncc4C3)ccc2O1 ZINC000019498130 207124934 /nfs/dbraw/zinc/12/49/34/207124934.db2.gz IILXNRFTHARSIB-MGPUTAFESA-N 1 0 392.503 2.742 40 0 GFABRO CCn1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C ZINC000019523942 207127818 /nfs/dbraw/zinc/12/78/18/207127818.db2.gz YYGCXNQRHMSLEF-QGZVFWFLSA-N 1 0 384.528 2.665 40 0 GFABRO CCCc1cc(C(=O)N2CC[C@@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)no1 ZINC000019525273 207128341 /nfs/dbraw/zinc/12/83/41/207128341.db2.gz YIRQGBSIROQBOP-OAHLLOKOSA-N 1 0 396.495 2.563 40 0 GFABRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nc(COC)cc(=O)[nH]3)C2)ccc1OC ZINC000019531998 207130271 /nfs/dbraw/zinc/13/02/71/207130271.db2.gz XXVPSXOGLBHACO-MRXNPFEDSA-N 1 0 387.480 2.703 40 0 GFABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccsc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450091 207121233 /nfs/dbraw/zinc/12/12/33/207121233.db2.gz IUJBALGLLKHXBJ-ROUUACIJSA-N 1 0 399.564 2.879 40 0 GFABRO COc1ccc(Cl)cc1C(=O)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019559083 207134640 /nfs/dbraw/zinc/13/46/40/207134640.db2.gz DARPPGWMFZJCTQ-UHFFFAOYSA-N 1 0 386.883 2.804 40 0 GFABRO Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)n1 ZINC000019572905 207137952 /nfs/dbraw/zinc/13/79/52/207137952.db2.gz IWZCHNXLAKDKNH-XLIONFOSSA-N 1 0 396.539 2.983 40 0 GFABRO COc1ccc(OC)c(C(=O)N2CCc3nc(C4CC[NH+](C)CC4)ncc3C2)c1 ZINC000019588310 207139344 /nfs/dbraw/zinc/13/93/44/207139344.db2.gz PAPTZHLFRXXCFI-UHFFFAOYSA-N 1 0 396.491 2.502 40 0 GFABRO Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c(C)c1C ZINC000019556789 207132630 /nfs/dbraw/zinc/13/26/30/207132630.db2.gz OQLDYGGEGQEGRY-JLTOFOAXSA-N 1 0 396.539 2.586 40 0 GFABRO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)Cc1ccccn1 ZINC000019583464 207140245 /nfs/dbraw/zinc/14/02/45/207140245.db2.gz AFUQUTWFSMXHCD-UHFFFAOYSA-N 1 0 381.455 2.505 40 0 GFABRO COCc1ccc(C(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)cc1 ZINC000019590692 207142339 /nfs/dbraw/zinc/14/23/39/207142339.db2.gz COITXFAPXWPULE-UHFFFAOYSA-N 1 0 380.492 2.631 40 0 GFABRO Cc1[nH]c2ccccc2c1C(=O)N1CCc2nnc(C3CC[NH+](C)CC3)n2CC1 ZINC000019708982 207150543 /nfs/dbraw/zinc/15/05/43/207150543.db2.gz LSRNOWLOGQTGCQ-UHFFFAOYSA-N 1 0 392.507 2.576 40 0 GFABRO Cc1oc2c(c1C(=O)N1CCC(c3nnc4n3CC[N@@H+](C)CC4)CC1)CCCC2 ZINC000019709440 207150838 /nfs/dbraw/zinc/15/08/38/207150838.db2.gz AROVJDUDZFDEBK-UHFFFAOYSA-N 1 0 397.523 2.566 40 0 GFABRO CC(=O)N1CCC[C@@H](c2nnc3n2CC[N@@H+](Cc2ccc(C)c(C)c2)CC3)C1 ZINC000019709289 207151082 /nfs/dbraw/zinc/15/10/82/207151082.db2.gz HDDJUNGYZWDZMU-HXUWFJFHSA-N 1 0 381.524 2.679 40 0 GFABRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(Cn2cnnn2)cc1 ZINC000019714869 207152183 /nfs/dbraw/zinc/15/21/83/207152183.db2.gz IWTSTOXNZIGGIB-UHFFFAOYSA-N 1 0 382.512 2.640 40 0 GFABRO Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3[C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000019710996 207152724 /nfs/dbraw/zinc/15/27/24/207152724.db2.gz XRGVXBPEKKQLJD-QGZVFWFLSA-N 1 0 397.523 2.596 40 0 GFABRO O[C@@H](COCc1ccccc1F)C[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000022030452 207245051 /nfs/dbraw/zinc/24/50/51/207245051.db2.gz SDKCASIKAOPJMZ-HXUWFJFHSA-N 1 0 376.447 2.660 40 0 GFABRO C[NH+](C)CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030855585 207375189 /nfs/dbraw/zinc/37/51/89/207375189.db2.gz HBVFQQQVDZWQHP-UHFFFAOYSA-N 1 0 395.912 2.822 40 0 GFABRO Cc1cc(C)nc(Nc2cccc(CC3CC[NH+](CC(=O)N(C)C)CC3)n2)n1 ZINC000072355032 208000770 /nfs/dbraw/zinc/00/07/70/208000770.db2.gz ZIMVQGFJKFWZMD-UHFFFAOYSA-N 1 0 382.512 2.575 40 0 GFABRO O=C(CC[NH+]1CCC(c2ccc(Nc3ccccn3)cn2)CC1)N1CCOCC1 ZINC000072374182 208009704 /nfs/dbraw/zinc/00/97/04/208009704.db2.gz XHZUQICRTVCXTN-UHFFFAOYSA-N 1 0 395.507 2.649 40 0 GFABRO CN1CCN(Cc2ccncc2)C(=O)C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096050128 208255498 /nfs/dbraw/zinc/25/54/98/208255498.db2.gz GNCGXKYBANIVPD-UHFFFAOYSA-N 1 0 382.483 2.530 40 0 GFABRO Cn1c2cc(C(=O)NCCC[NH+](C)C)n(-c3ncccn3)c2c2ccccc21 ZINC000096037295 208256503 /nfs/dbraw/zinc/25/65/03/208256503.db2.gz SBYXIERNRLWZFM-UHFFFAOYSA-N 1 0 376.464 2.594 40 0 GFABRO CC(C)[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 ZINC000096076235 208262159 /nfs/dbraw/zinc/26/21/59/208262159.db2.gz YWUQAUHYHWUCHU-HXUWFJFHSA-N 1 0 390.915 2.951 40 0 GFABRO Cc1noc(C)c1C[N@H+]1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 ZINC000096100426 208263000 /nfs/dbraw/zinc/26/30/00/208263000.db2.gz ZCISYPHFEBKTTL-UHFFFAOYSA-N 1 0 385.512 2.809 40 0 GFABRO COc1ccc(CC[NH2+]Cc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1OC ZINC000013998928 208787423 /nfs/dbraw/zinc/78/74/23/208787423.db2.gz PTAVPSNCLRVJFA-UHFFFAOYSA-N 1 0 398.459 2.895 40 0 GFABRO C[N@@H+]1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 ZINC000306130149 209100331 /nfs/dbraw/zinc/10/03/31/209100331.db2.gz IXMTUWWPXBUGNI-QGZVFWFLSA-N 1 0 393.487 2.727 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)cc1 ZINC000306129220 209100060 /nfs/dbraw/zinc/10/00/60/209100060.db2.gz HXUHJPOHYJCNCI-QHCPKHFHSA-N 1 0 388.471 2.861 40 0 GFABRO COCCN1CC[C@]2(C[N@H+](Cc3ccco3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306129922 209099891 /nfs/dbraw/zinc/09/98/91/209099891.db2.gz IQQLTRAKSMRJIT-WIYYLYMNSA-N 1 0 386.496 2.522 40 0 GFABRO O=S1(=O)c2ccccc2O[C@]2(CC[N@H+](CC3CC3)C2)CN1Cc1ccccn1 ZINC000306126387 209097341 /nfs/dbraw/zinc/09/73/41/209097341.db2.gz DUJBVUYHNVNHAG-NRFANRHFSA-N 1 0 399.516 2.519 40 0 GFABRO CN1C(=O)CCC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000257268458 209065229 /nfs/dbraw/zinc/06/52/29/209065229.db2.gz MLTCBSZJGLWRHF-NHCUHLMSSA-N 1 0 399.535 2.777 40 0 GFABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)CNC(C)=O)C3)c2)cc1 ZINC000257282302 209066417 /nfs/dbraw/zinc/06/64/17/209066417.db2.gz OTFRARFRYHFAGB-QGZVFWFLSA-N 1 0 396.491 2.984 40 0 GFABRO COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC000072346130 222232950 /nfs/dbraw/zinc/23/29/50/222232950.db2.gz TVEGRGLFMLIOKE-QGZVFWFLSA-N 1 0 395.507 2.536 40 0 GFABRO COC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000073257866 222269166 /nfs/dbraw/zinc/26/91/66/222269166.db2.gz CGPNWVMBMDTTMA-RTWAWAEBSA-N 1 0 398.503 2.839 40 0 GFABRO [NH3+]C[C@@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218535380 553053854 /nfs/dbraw/zinc/05/38/54/553053854.db2.gz SDLAFJXOWAOMLD-YESZJQIVSA-N 1 0 386.300 2.871 40 0 GFABRO CN1CCN(Cc2nc(C3(O)CC[NH+](CC4CCCCC4)CC3)cs2)CC1 ZINC000225471552 560043223 /nfs/dbraw/zinc/04/32/23/560043223.db2.gz RIVSLPZSVJWPBK-UHFFFAOYSA-N 1 0 392.613 2.754 40 0 biogenic,in-vitro GFABRO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(NCCCO)[nH+]1 ZINC000328961410 563468965 /nfs/dbraw/zinc/46/89/65/563468965.db2.gz BCEVVRARESSSPX-UHFFFAOYSA-N 1 0 391.313 3.159 40 0 GFABRO CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(NCCO)[nH+]1 ZINC000328964633 563469209 /nfs/dbraw/zinc/46/92/09/563469209.db2.gz BXPVWMOUFCISDE-UHFFFAOYSA-N 1 0 391.313 3.329 40 0 GFABRO OCCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000585273383 570241441 /nfs/dbraw/zinc/24/14/41/570241441.db2.gz UACOXXUCAMLOHC-PMACEKPBSA-N 1 0 377.868 2.725 40 0 GFABRO COc1cccc(CNCC[NH2+]C[C@H](C)O)c1OCc1ccccc1Cl ZINC000022075190 570321398 /nfs/dbraw/zinc/32/13/98/570321398.db2.gz FRJUQWPEBYKJMO-HNNXBMFYSA-N 1 0 378.900 2.988 40 0 GFABRO CC(C)(C)n1nnnc1[C@@H](c1cccnc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022584590 570348376 /nfs/dbraw/zinc/34/83/76/570348376.db2.gz DYPHMVSEMUELLT-LJQANCHMSA-N 1 0 383.544 2.863 40 0 GFABRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000055407199 570350089 /nfs/dbraw/zinc/35/00/89/570350089.db2.gz SUFUKTFASVRDSI-QKNQBKEWSA-N 1 0 385.552 2.704 40 0 GFABRO CC(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3ccc(F)c(F)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382584 570353276 /nfs/dbraw/zinc/35/32/76/570353276.db2.gz SRXOYRVRFWAGGT-XNFNUYLZSA-N 1 0 391.462 2.568 40 0 biogenic,in-vitro GFABRO C[C@@H](O)C[N@H+](Cc1ccc(N2CCCC2=O)cc1)Cc1ccc2c(c1)OCO2 ZINC000012185765 570620264 /nfs/dbraw/zinc/62/02/64/570620264.db2.gz YWAQLHWCUUBRFF-MRXNPFEDSA-N 1 0 382.460 2.925 40 0 GFABRO COc1ccc([C@H](O)C[NH+]2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC ZINC000012188402 570621765 /nfs/dbraw/zinc/62/17/65/570621765.db2.gz AAGWMJJXSISQLQ-HXUWFJFHSA-N 1 0 398.503 2.865 40 0 GFABRO Cc1nc(SCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000225904123 570632309 /nfs/dbraw/zinc/63/23/09/570632309.db2.gz GOPTVCYSRDYNMK-OAHLLOKOSA-N 1 0 393.944 2.887 40 0 GFABRO Cc1ccc(C2(O)CC[NH+](CCNC(=O)c3cccc(N(C)C)c3)CC2)cc1 ZINC000012291091 570632905 /nfs/dbraw/zinc/63/29/05/570632905.db2.gz OGIWJWTZGRACNW-UHFFFAOYSA-N 1 0 381.520 2.774 40 0 GFABRO COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000006614495 570747759 /nfs/dbraw/zinc/74/77/59/570747759.db2.gz YMARGAPYVHRCHM-UHFFFAOYSA-N 1 0 398.532 2.882 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)NCCC[NH+]2CCCC2)[C@@H]1c1ccccc1OC ZINC000257233597 570765981 /nfs/dbraw/zinc/76/59/81/570765981.db2.gz GPWLJGAZQINOBR-NQIIRXRSSA-N 1 0 387.524 2.597 40 0 GFABRO CC(=O)N1CCC([N@@H+]2CCCC[C@H]3CN(C(=O)Cc4ccccc4)C[C@H]32)CC1 ZINC000072330657 570879499 /nfs/dbraw/zinc/87/94/99/570879499.db2.gz NQKDPCKEGLOCIC-RBBKRZOGSA-N 1 0 383.536 2.553 40 0 GFABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218526835 570924961 /nfs/dbraw/zinc/92/49/61/570924961.db2.gz DFNOHQDZDNWXQD-AOIWGVFYSA-N 1 0 393.892 2.788 40 0 GFABRO c1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019369611 570925311 /nfs/dbraw/zinc/92/53/11/570925311.db2.gz RCRASJLIYQLENX-LEWJYISDSA-N 1 0 396.539 2.502 40 0 GFABRO COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)c1ccnc(F)c1)CC2 ZINC000585103289 570931617 /nfs/dbraw/zinc/93/16/17/570931617.db2.gz BHJPOOBGRBCKAV-LJQANCHMSA-N 1 0 398.482 2.759 40 0 GFABRO CCCN1CCN(C(=O)CC[NH3+])C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183643 571001053 /nfs/dbraw/zinc/00/10/53/571001053.db2.gz YEVLGHUJELREGM-NRFANRHFSA-N 1 0 393.531 2.942 40 0 GFABRO COc1cccc(C[NH+]2CCC(c3cc(C(=O)N4CCC[C@@H](O)C4)on3)CC2)c1 ZINC000019564897 210266194 /nfs/dbraw/zinc/26/61/94/210266194.db2.gz ZPBJIOQGENTYQT-GOSISDBHSA-N 1 0 399.491 2.660 40 0 GFABRO COc1cccc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4ccccn4)n3)C2)c1OC ZINC000019567907 210265730 /nfs/dbraw/zinc/26/57/30/210265730.db2.gz JESSVTLLUJSAGT-INIZCTEOSA-N 1 0 394.479 2.665 40 0 GFABRO CCOc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019533596 210259932 /nfs/dbraw/zinc/25/99/32/210259932.db2.gz NGFSBRDTKUOEIG-FOIQADDNSA-N 1 0 396.491 2.652 40 0 GFABRO CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019499450 210254898 /nfs/dbraw/zinc/25/48/98/210254898.db2.gz BHCPOGNMTHWJNY-DNVCBOLYSA-N 1 0 398.482 2.825 40 0 GFABRO C[C@H]1Cc2cc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CC[N@@H+](C)C5)C3)ccc2O1 ZINC000019497926 210253474 /nfs/dbraw/zinc/25/34/74/210253474.db2.gz SHPAOOXBTXFXTM-DOTOQJQBSA-N 1 0 392.503 2.808 40 0 GFABRO C[C@H]1CC[N@H+](CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCN1C ZINC000019366295 210244567 /nfs/dbraw/zinc/24/45/67/210244567.db2.gz DXHCKJUCLLXPRL-FQEVSTJZSA-N 1 0 396.531 2.882 40 0 GFABRO Cc1ccc(CC(=O)N2CC[C@@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)cc1 ZINC000019209269 210228874 /nfs/dbraw/zinc/22/88/74/210228874.db2.gz FYRCQECHNHYGGQ-LJQANCHMSA-N 1 0 391.519 2.860 40 0 GFABRO Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cc1 ZINC000019135311 210227640 /nfs/dbraw/zinc/22/76/40/210227640.db2.gz XLXJUTPZKLCHGO-IBGZPJMESA-N 1 0 380.492 2.822 40 0 GFABRO COc1cc(C)ccc1OCC(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019134281 210227096 /nfs/dbraw/zinc/22/70/96/210227096.db2.gz HJKJWWLCUNIABB-SFHVURJKSA-N 1 0 396.491 2.524 40 0 GFABRO COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019078797 210223631 /nfs/dbraw/zinc/22/36/31/210223631.db2.gz FSUXKVBEFDDMMY-MAUKXSAKSA-N 1 0 396.491 2.604 40 0 GFABRO COc1ccccc1C[NH+]1CCC(c2ncc3c(n2)CCN(C(C)=O)C3)CC1 ZINC000019018898 210223460 /nfs/dbraw/zinc/22/34/60/210223460.db2.gz LJJYLDMBAUJXDH-UHFFFAOYSA-N 1 0 380.492 2.769 40 0 GFABRO CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@@H](c1ccc(-n3cncn3)cc1)[NH2+]2 ZINC000306145977 212056900 /nfs/dbraw/zinc/05/69/00/212056900.db2.gz XVAXFTCKCHWZQW-SFHVURJKSA-N 1 0 399.495 2.698 40 0 GFABRO COC(=O)c1ccc([C@@H]2CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C[NH2+]2)cc1 ZINC000306145482 212056213 /nfs/dbraw/zinc/05/62/13/212056213.db2.gz GPNXCGBLAHTCQJ-OXJNMPFZSA-N 1 0 376.453 2.514 40 0 GFABRO Cc1csc(CN2CC3(C2)C[C@H](COc2ncccc2F)CC[N@H+]3C)n1 ZINC000306141745 212055823 /nfs/dbraw/zinc/05/58/23/212055823.db2.gz WFBLZHPTQUHFIT-OAHLLOKOSA-N 1 0 376.501 2.961 40 0 GFABRO O=C(NCC1CC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000306133521 212051015 /nfs/dbraw/zinc/05/10/15/212051015.db2.gz MNUXUEYEUXNZPM-UHFFFAOYSA-N 1 0 397.498 2.786 40 0 GFABRO c1c([C@H]2C[N@@H+](CC3CC3)CCN2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306131312 212049350 /nfs/dbraw/zinc/04/93/50/212049350.db2.gz KBHFIFMFOVFVII-OAQYLSRUSA-N 1 0 395.551 2.650 40 0 GFABRO CCCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000306123708 212044325 /nfs/dbraw/zinc/04/43/25/212044325.db2.gz AUHTYNJSTFAQRT-UHFFFAOYSA-N 1 0 385.487 2.786 40 0 GFABRO CC(C)CS(=O)(=O)N[C@H]1CCCC[C@]12C[N@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000306123908 212044956 /nfs/dbraw/zinc/04/49/56/212044956.db2.gz BAHBELYJQDXKMC-AABGKKOBSA-N 1 0 384.586 2.932 40 0 GFABRO CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@@H]2CCCC[N@H+]2C)c1 ZINC000257318080 212023953 /nfs/dbraw/zinc/02/39/53/212023953.db2.gz VMKKKWKKKXFYGJ-IBGZPJMESA-N 1 0 380.492 2.599 40 0 GFABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)CNC(C)=O)C3)c2)cc1 ZINC000257282301 212015926 /nfs/dbraw/zinc/01/59/26/212015926.db2.gz OTFRARFRYHFAGB-KRWDZBQOSA-N 1 0 396.491 2.984 40 0 GFABRO CC(=O)NCC[C@H]1CCCN(C(=O)c2ncccc2-c2cccc(C[NH3+])c2)C1 ZINC000257255718 212012301 /nfs/dbraw/zinc/01/23/01/212012301.db2.gz KIPFYFXPXMWVCA-QGZVFWFLSA-N 1 0 380.492 2.586 40 0 GFABRO Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)C3(C)CC[NH+](C)CC3)C2)cn1 ZINC000257259657 212012112 /nfs/dbraw/zinc/01/21/12/212012112.db2.gz KZJPPHPUWUYKIB-KRWDZBQOSA-N 1 0 397.523 2.871 40 0 GFABRO CC[N@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000257250707 212011467 /nfs/dbraw/zinc/01/14/67/212011467.db2.gz JNRUDQBCAHELSL-QHCPKHFHSA-N 1 0 397.519 2.595 40 0 GFABRO C[NH+](C)CCNc1nc(NCc2ccccc2Cl)cc(-c2ccccn2)n1 ZINC000329032683 209156966 /nfs/dbraw/zinc/15/69/66/209156966.db2.gz QOYVTPFRDGRDPN-UHFFFAOYSA-N 1 0 382.899 2.621 40 0 GFABRO C[NH+](C)CCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccn2)n1 ZINC000328993775 209155829 /nfs/dbraw/zinc/15/58/29/209155829.db2.gz JBQBOFJHHSDQQN-UHFFFAOYSA-N 1 0 398.461 2.636 40 0 GFABRO COC(=O)C[C@@]1(C)[NH2+][C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000216598387 211744297 /nfs/dbraw/zinc/74/42/97/211744297.db2.gz NFQOYGSKVUFULD-GLHSZLCASA-N 1 0 392.455 2.767 40 0 GFABRO COCCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4ccc(Cl)cc4)C[C@@H]32)N=C1C ZINC000096261517 211326691 /nfs/dbraw/zinc/32/66/91/211326691.db2.gz XKJCQHILIYXTLW-IMFGXOCKSA-N 1 0 375.900 2.828 40 0 GFABRO Cc1noc(C)c1C[N@H+]1CCc2cc(C(=O)N3CCCC3)c(N(C)C)nc2CC1 ZINC000096260382 211326475 /nfs/dbraw/zinc/32/64/75/211326475.db2.gz KVHLNCCMVKPXBA-UHFFFAOYSA-N 1 0 397.523 2.589 40 0 GFABRO COc1cccc(-c2nc3c(s2)N(C(C)C)[C@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096264493 211326539 /nfs/dbraw/zinc/32/65/39/211326539.db2.gz MQPZZFFLOOXGST-KRWDZBQOSA-N 1 0 388.537 2.636 40 0 GFABRO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[N@H+](Cc1ccccn1)CC2 ZINC000096260506 211326336 /nfs/dbraw/zinc/32/63/36/211326336.db2.gz WRFFSPBIPRQCBS-UHFFFAOYSA-N 1 0 381.524 2.847 40 0 GFABRO Cc1cccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NCC2CC2)Cn2ccnc23)c1 ZINC000096243603 211325436 /nfs/dbraw/zinc/32/54/36/211325436.db2.gz YMZOCPALGMDXEP-HXUWFJFHSA-N 1 0 394.519 2.608 40 0 GFABRO O=S(=O)(c1ccccc1)N1CC[C@]2(C1)CCC[N@H+](CC1CCOCC1)C2 ZINC000096215408 211320068 /nfs/dbraw/zinc/32/00/68/211320068.db2.gz ZMERTIOPMNLXGM-HXUWFJFHSA-N 1 0 378.538 2.590 40 0 GFABRO Cc1nc(CN2C(=O)COC3(CC[NH+](Cc4ccco4)CC3)[C@@H]2C)cs1 ZINC000096062273 211297923 /nfs/dbraw/zinc/29/79/23/211297923.db2.gz NYMONVIKAMNINQ-AWEZNQCLSA-N 1 0 375.494 2.827 40 0 GFABRO C[N@H+]1CCc2nnc([C@H]3CCCN3C(=O)C(C)(C)c3cccc(F)c3)n2CC1 ZINC000072372758 211102109 /nfs/dbraw/zinc/10/21/09/211102109.db2.gz ITHFIJCTHTYFBD-QGZVFWFLSA-N 1 0 385.487 2.546 40 0 GFABRO Cc1cc(C)cc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000072390951 211109436 /nfs/dbraw/zinc/10/94/36/211109436.db2.gz MRCBNJSGXHQYFB-SJORKVTESA-N 1 0 380.492 2.523 40 0 GFABRO Cc1[nH]c2c(cccc2C)c1CC(=O)N1CCn2c(nnc2[C@@H]2CCCC[NH2+]2)C1 ZINC000072374050 211105559 /nfs/dbraw/zinc/10/55/59/211105559.db2.gz KTPGZUGWJDCBGA-SFHVURJKSA-N 1 0 392.507 2.776 40 0 GFABRO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000072346126 211095086 /nfs/dbraw/zinc/09/50/86/211095086.db2.gz SKPFHOWHXJTDMQ-MRXNPFEDSA-N 1 0 383.471 2.667 40 0 GFABRO COc1ccccc1[C@@]1(O)CCC[C@@H]2C[N@H+](Cc3cnc(N(C)C)nc3)C[C@H]21 ZINC000072340987 211092663 /nfs/dbraw/zinc/09/26/63/211092663.db2.gz YYVYQVXDOZCAFN-JUXOCIIHSA-N 1 0 382.508 2.671 40 0 GFABRO COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)C[NH+]4CCCC4)C3)n2)c1 ZINC000072359676 211100446 /nfs/dbraw/zinc/10/04/46/211100446.db2.gz JPXZFAUBVJUKNU-GOSISDBHSA-N 1 0 380.492 2.954 40 0 GFABRO Cc1cc(Nc2cc([C@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)nc(C)n2)n[nH]1 ZINC000072360854 211100122 /nfs/dbraw/zinc/10/01/22/211100122.db2.gz SWRXHCVAZFDEFS-KRWDZBQOSA-N 1 0 397.527 2.608 40 0 GFABRO CC[NH+]1CCC(CC(=O)Nc2cnn(CC(=O)Nc3ccc(F)cc3)c2)CC1 ZINC000019746133 210291203 /nfs/dbraw/zinc/29/12/03/210291203.db2.gz PBZVYQVRYDBVMP-UHFFFAOYSA-N 1 0 387.459 2.721 40 0 GFABRO CC[C@H](c1ccc(F)cc1)N(C)C(=O)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000019747572 210290991 /nfs/dbraw/zinc/29/09/91/210290991.db2.gz FCGJXTXTYDQQTK-LJQANCHMSA-N 1 0 375.488 2.535 40 0 GFABRO Cc1cc(CCCC(=O)N2CCn3c(nnc3[C@@H]3CCC[N@@H+](C)C3)C2)ccc1F ZINC000019711124 210286778 /nfs/dbraw/zinc/28/67/78/210286778.db2.gz OVPKBGKVRXYYFF-GOSISDBHSA-N 1 0 399.514 2.900 40 0 GFABRO CCn1nc([C@H](C)C(=O)N2CCC(CC[NH+](C)C)CC2)c2ccccc2c1=O ZINC000019660548 210279910 /nfs/dbraw/zinc/27/99/10/210279910.db2.gz ANZCAWGZIQQVOS-INIZCTEOSA-N 1 0 384.524 2.710 40 0 GFABRO CC(C)c1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+](C)C)nn2cnnc12 ZINC000019662767 210278799 /nfs/dbraw/zinc/27/87/99/210278799.db2.gz JRFVVKNNTUFTGU-KRWDZBQOSA-N 1 0 386.887 2.934 40 0 GFABRO COc1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)cc(OC)c1 ZINC000019595146 210276134 /nfs/dbraw/zinc/27/61/34/210276134.db2.gz XLNCKDPXAFISKF-PCCBWWKXSA-N 1 0 382.504 2.566 40 0 GFABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)n1 ZINC000019572897 210268649 /nfs/dbraw/zinc/26/86/49/210268649.db2.gz IWZCHNXLAKDKNH-FXAWDEMLSA-N 1 0 396.539 2.983 40 0 GFABRO C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)CCn3ncc4ccccc43)ncc2C1 ZINC000019590510 210272166 /nfs/dbraw/zinc/27/21/66/210272166.db2.gz BMMVTEYVDHJAMA-FQEVSTJZSA-N 1 0 390.491 2.568 40 0 GFABRO C[NH+]1CCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)CC1 ZINC000013562996 136201229 /nfs/dbraw/zinc/20/12/29/136201229.db2.gz OODMPAKHPSLNTJ-UHFFFAOYSA-N 1 0 392.459 2.621 40 0 GFABRO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccc4c(c2)OCO4)C3)cc1 ZINC000096269260 560054138 /nfs/dbraw/zinc/05/41/38/560054138.db2.gz BVIFZZHPNADCKW-SFHVURJKSA-N 1 0 393.443 2.976 40 0 biogenic,in-vitro GFABRO CCNC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccccc2OC)nn1C ZINC000015672391 560096260 /nfs/dbraw/zinc/09/62/60/560096260.db2.gz DYHVNLKBEDVOEI-JZXOWHBKSA-N 1 0 397.523 2.593 40 0 biogenic,in-vitro GFABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](CC(=O)NCCc3ccccc3)CC2)cc1 ZINC000585271486 570238219 /nfs/dbraw/zinc/23/82/19/570238219.db2.gz AFIVBAFMTBCALM-XMMPIXPASA-N 1 0 396.531 2.950 40 0 GFABRO OC1(C[N@@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CCCCCC1 ZINC000585282001 570249598 /nfs/dbraw/zinc/24/95/98/570249598.db2.gz FDMAALIPXFJPJQ-FQEVSTJZSA-N 1 0 383.916 2.867 40 0 GFABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH+]1CCN(c2ncccn2)CC1 ZINC000585290566 570257357 /nfs/dbraw/zinc/25/73/57/570257357.db2.gz YGTRPKLCTQBBPP-IPMKNSEASA-N 1 0 388.899 2.613 40 0 GFABRO C[NH+](C)C/C=C/C(=O)N1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000585292564 570261947 /nfs/dbraw/zinc/26/19/47/570261947.db2.gz OPOVEZFDXPAQKN-CSPWOOARSA-N 1 0 386.525 2.576 40 0 GFABRO O=C(c1cscn1)N1C[C@@H]2CN(C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107249492 570309062 /nfs/dbraw/zinc/30/90/62/570309062.db2.gz DZGUPYCGOPTRNK-YLJYHZDGSA-N 1 0 382.533 2.564 40 0 GFABRO CC(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 ZINC000604381995 570353135 /nfs/dbraw/zinc/35/31/35/570353135.db2.gz YDMKEGRPGKOCNA-LJQANCHMSA-N 1 0 391.943 2.597 40 0 biogenic,in-vitro GFABRO COc1cc(OC)cc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000025224469 570413566 /nfs/dbraw/zinc/41/35/66/570413566.db2.gz HAKZDLGABUKOFJ-FQEVSTJZSA-N 1 0 393.443 2.649 40 0 GFABRO CC(C)C[C@H]1CC(=O)N(C2(C(=O)NCCc3ccccc3)CC[NH+](C)CC2)C1 ZINC000033436029 570526756 /nfs/dbraw/zinc/52/67/56/570526756.db2.gz KKKHHHQRGYHKIK-FQEVSTJZSA-N 1 0 385.552 2.704 40 0 GFABRO COC(=O)c1ccccc1NC(=S)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000225212489 570556542 /nfs/dbraw/zinc/55/65/42/570556542.db2.gz ZCCVZKIFMMYIAK-UHFFFAOYSA-N 1 0 395.528 2.955 40 0 GFABRO O=C(NC[C@H]1COc2ccccc2O1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000225270145 570561126 /nfs/dbraw/zinc/56/11/26/570561126.db2.gz FFSWGERCVCODND-SFHVURJKSA-N 1 0 384.451 2.994 40 0 GFABRO CCc1nn2c(nnc3c2ccn(CC[NH+](C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395886 570600507 /nfs/dbraw/zinc/60/05/07/570600507.db2.gz LZAJUSOOUABGTI-UHFFFAOYSA-N 1 0 396.882 2.884 40 0 GFABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225680914 570602274 /nfs/dbraw/zinc/60/22/74/570602274.db2.gz DBIVXHIYUHDBLL-AWEZNQCLSA-N 1 0 397.566 2.533 40 0 GFABRO Cc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1)[C@H](C[NH+](C)C)CO2 ZINC000012406652 570654023 /nfs/dbraw/zinc/65/40/23/570654023.db2.gz JLTNICRPKMLUAX-QGZVFWFLSA-N 1 0 378.469 2.648 40 0 GFABRO CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)CC1 ZINC000257204258 570887569 /nfs/dbraw/zinc/88/75/69/570887569.db2.gz ATSPNJYHGGRMPU-KZNAEPCWSA-N 1 0 399.539 2.514 40 0 GFABRO CNc1cc(CN(C)Cc2ccc(N3CCCC3=O)cc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760678 570888667 /nfs/dbraw/zinc/88/86/67/570888667.db2.gz NPQYPRMCDZKCJD-LJQANCHMSA-N 1 0 394.523 2.702 40 0 GFABRO Cc1ccc(C[N@H+]2Cc3cccn3C[C@@H](CCOCC(=O)N(C)C)C2)s1 ZINC000585095291 570921786 /nfs/dbraw/zinc/92/17/86/570921786.db2.gz NQIVVCOLRYPOPE-KRWDZBQOSA-N 1 0 375.538 2.985 40 0 GFABRO O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@@]2(CC[N@@H+]2C[C@@H]2CCCO2)C1 ZINC000585101709 570926691 /nfs/dbraw/zinc/92/66/91/570926691.db2.gz AOKZISPLNXBFRT-MAUKXSAKSA-N 1 0 383.414 2.960 40 0 GFABRO Cc1noc(C)c1CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(C)c1)C2 ZINC000585104368 570932983 /nfs/dbraw/zinc/93/29/83/570932983.db2.gz LFKLBIONHOBFNX-JOCHJYFZSA-N 1 0 383.492 2.851 40 0 GFABRO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]23)cc1 ZINC000585106012 570935458 /nfs/dbraw/zinc/93/54/58/570935458.db2.gz DEYRWSNKQBYVOE-UXHICEINSA-N 1 0 383.536 2.694 40 0 GFABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC000585106290 570936448 /nfs/dbraw/zinc/93/64/48/570936448.db2.gz ONZIJHTWSALWFT-JQHSSLGASA-N 1 0 387.524 2.738 40 0 GFABRO CCn1cnc2sc(C(=O)NCC(C)(C)[NH+]3CCCCC3)c(C)c2c1=O ZINC000019717361 571039495 /nfs/dbraw/zinc/03/94/95/571039495.db2.gz UOEDVMPATMPRHI-UHFFFAOYSA-N 1 0 376.526 2.781 40 0 GFABRO COc1ccc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)cc1F ZINC000328956383 571046796 /nfs/dbraw/zinc/04/67/96/571046796.db2.gz AFTMJDQDSLJLHR-UHFFFAOYSA-N 1 0 381.455 2.852 40 0 GFABRO Cc1c2ccccc2oc1C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019566279 210266560 /nfs/dbraw/zinc/26/65/60/210266560.db2.gz NWWLRHHOMFTZIY-OAHLLOKOSA-N 1 0 389.459 2.993 40 0 GFABRO CCOc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019533590 210259922 /nfs/dbraw/zinc/25/99/22/210259922.db2.gz NGFSBRDTKUOEIG-YWZLYKJASA-N 1 0 396.491 2.652 40 0 GFABRO CCCC[N@H+](C)CC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1 ZINC000019502223 210254096 /nfs/dbraw/zinc/25/40/96/210254096.db2.gz GJEIKUYNKBYDET-IBGZPJMESA-N 1 0 381.480 2.630 40 0 GFABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450089 210248024 /nfs/dbraw/zinc/24/80/24/210248024.db2.gz YVRXGSSMTDFHEA-ROUUACIJSA-N 1 0 399.564 2.879 40 0 GFABRO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)no1)N1CCC(O)CC1 ZINC000019334014 210241917 /nfs/dbraw/zinc/24/19/17/210241917.db2.gz WPIDWYXHDVDHCT-INIZCTEOSA-N 1 0 387.455 2.790 40 0 GFABRO CC(=O)N1CCc2nc(C3CC[NH+](CCOc4ccccc4F)CC3)ncc2C1 ZINC000019018866 210224190 /nfs/dbraw/zinc/22/41/90/210224190.db2.gz VAPLYHOWNUUZJK-UHFFFAOYSA-N 1 0 398.482 2.779 40 0 GFABRO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@H+](C[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000019014466 210222546 /nfs/dbraw/zinc/22/25/46/210222546.db2.gz SWAILVFTAAUJJV-WMZOPIPTSA-N 1 0 396.535 2.600 40 0 GFABRO O=C(C1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)C1 ZINC000019014524 210221880 /nfs/dbraw/zinc/22/18/80/210221880.db2.gz NOFBMCPUYPLBQD-INIZCTEOSA-N 1 0 384.524 2.989 40 0 GFABRO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC[NH+](C)C)ccc1C ZINC000013670271 210078435 /nfs/dbraw/zinc/07/84/35/210078435.db2.gz WULVERHZLFILES-UHFFFAOYSA-N 1 0 389.521 2.786 40 0 GFABRO Cc1cc(S(=O)(=O)n2cc[nH]c2=O)c(SCCC[NH+](C)C)cc1Cl ZINC000006484383 209652459 /nfs/dbraw/zinc/65/24/59/209652459.db2.gz DAWVZTHLVDFHDA-UHFFFAOYSA-N 1 0 389.930 2.831 40 0 GFABRO Cc1ccsc1C[NH+]1CCC2(CCc3nnc(C(=O)NC4CC4)n3C2)CC1 ZINC000306144557 212055017 /nfs/dbraw/zinc/05/50/17/212055017.db2.gz ZIPUMJISHJYRMD-UHFFFAOYSA-N 1 0 385.537 2.769 40 0 GFABRO Cc1ncsc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306132735 212049211 /nfs/dbraw/zinc/04/92/11/212049211.db2.gz LQORPFSXRMOYIO-GJZGRUSLSA-N 1 0 394.504 2.600 40 0 GFABRO COCCN1CC[C@@]2(C[N@H+](Cc3ccco3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306129921 212047498 /nfs/dbraw/zinc/04/74/98/212047498.db2.gz IQQLTRAKSMRJIT-RXVVDRJESA-N 1 0 386.496 2.522 40 0 GFABRO Cn1cc(C[N@@H+]2CC[C@@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)cn1 ZINC000306128766 212046247 /nfs/dbraw/zinc/04/62/47/212046247.db2.gz HJYNDDQNTHWOHR-FQEVSTJZSA-N 1 0 379.489 2.681 40 0 GFABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccco4)CC2)CN(C)C3)cc1 ZINC000306125884 212045660 /nfs/dbraw/zinc/04/56/60/212045660.db2.gz DEQQHJZDDAYIGK-UHFFFAOYSA-N 1 0 393.491 2.983 40 0 GFABRO C[C@]12CCN(C(=O)C[NH3+])[C@H]1CCCCC(=O)N2Cc1cccc(C(F)(F)F)c1 ZINC000257340489 212027095 /nfs/dbraw/zinc/02/70/95/212027095.db2.gz ZGJLGDKEVRFCGV-LPHOPBHVSA-N 1 0 397.441 2.926 40 0 GFABRO COc1cc2c(cc1OC)CN(c1cc(N[C@@H](C)CO)[nH+]c(C(C)C)n1)CC2 ZINC000329067988 209158710 /nfs/dbraw/zinc/15/87/10/209158710.db2.gz YLOOALLAINEKQP-AWEZNQCLSA-N 1 0 386.496 2.973 40 0 GFABRO CC(=O)N1[C@@H]2CCC[C@@H]3N(C(=O)C[NH+](C)C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257231005 212007435 /nfs/dbraw/zinc/00/74/35/212007435.db2.gz GEUJOUUJACJAII-KHYDEXNFSA-N 1 0 383.536 2.550 40 0 GFABRO Cc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@H](C)CO)[nH+]1 ZINC000329036921 209158029 /nfs/dbraw/zinc/15/80/29/209158029.db2.gz RLDSAXDSOABMOF-GFCCVEGCSA-N 1 0 377.286 2.903 40 0 GFABRO CSc1ccccc1Nc1cc(-c2ccccn2)nc(NCC[NH+](C)C)n1 ZINC000329037516 209156917 /nfs/dbraw/zinc/15/69/17/209156917.db2.gz RNZBQCILRDNUCP-UHFFFAOYSA-N 1 0 380.521 2.821 40 0 GFABRO CCNc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCC[NH+](C)C)n1 ZINC000328997937 209156355 /nfs/dbraw/zinc/15/63/55/209156355.db2.gz JQPQLPZEOBGBDE-UHFFFAOYSA-N 1 0 383.418 2.681 40 0 GFABRO Cc1ccc(Nc2cc(C3CC3)nc(NCC[NH+](C)C)n2)c(Br)c1 ZINC000328978392 209154894 /nfs/dbraw/zinc/15/48/94/209154894.db2.gz FYPOYVLOAIUDBL-UHFFFAOYSA-N 1 0 390.329 2.986 40 0 GFABRO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[N@H+](Cc1cccnc1)CC2 ZINC000096260507 211326992 /nfs/dbraw/zinc/32/69/92/211326992.db2.gz NOOIVBOVBCXYGK-UHFFFAOYSA-N 1 0 381.524 2.847 40 0 GFABRO CN(C)c1nc2c(cc1C(=O)NCC1CC1)CC[N@H+](CCc1ccccc1)CC2 ZINC000096260368 211326907 /nfs/dbraw/zinc/32/69/07/211326907.db2.gz RZOXDMQXXSJDID-UHFFFAOYSA-N 1 0 392.547 2.931 40 0 GFABRO CC(C)[NH+]1CCN(c2ccc3ccc(C(=O)NCc4cccnc4)cn32)CC1 ZINC000096091614 211300581 /nfs/dbraw/zinc/30/05/81/211300581.db2.gz VMSFGXMFLHRSFH-UHFFFAOYSA-N 1 0 377.492 2.795 40 0 GFABRO C[N@@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)Cc3ccccc3)CC[C@@H]12 ZINC000096145288 211307590 /nfs/dbraw/zinc/30/75/90/211307590.db2.gz JYUCJJKZTOHRCB-NFBKMPQASA-N 1 0 392.503 2.576 40 0 GFABRO CC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(OC)c1 ZINC000016681759 211217498 /nfs/dbraw/zinc/21/74/98/211217498.db2.gz WUGLXBLXXCHWKF-UHFFFAOYSA-N 1 0 386.448 2.999 40 0 GFABRO CCOc1ccc(CCC(=O)N(C)Cc2cc([C@@H]3CCC[NH2+]C3)nn2C)cc1 ZINC000072370177 211101912 /nfs/dbraw/zinc/10/19/12/211101912.db2.gz NVGYAAWPJCXTKH-GOSISDBHSA-N 1 0 384.524 2.877 40 0 GFABRO O=C(C[N@H+]1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCOCC1 ZINC000072348718 211095740 /nfs/dbraw/zinc/09/57/40/211095740.db2.gz JUUVNQJIKAWEMO-GOSISDBHSA-N 1 0 383.467 2.926 40 0 GFABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3cccc(F)c3)C2)CC1 ZINC000072346252 211095954 /nfs/dbraw/zinc/09/59/54/211095954.db2.gz HHOMLTGPCQIOKJ-KRWDZBQOSA-N 1 0 397.498 2.913 40 0 GFABRO Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1nnc3n1CC[N@@H+](C)CC3)CCCC2 ZINC000019710764 210286400 /nfs/dbraw/zinc/28/64/00/210286400.db2.gz HRFMKBRSFKZAMW-MRXNPFEDSA-N 1 0 383.496 2.524 40 0 GFABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@@H]1c1nnc2n1CC[N@@H+](C)CC2 ZINC000019710766 210285774 /nfs/dbraw/zinc/28/57/74/210285774.db2.gz NCFQARNXVBHHSG-QGZVFWFLSA-N 1 0 396.470 2.672 40 0 GFABRO Cc1nc(N2CCCCC2)ncc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000019714790 210285613 /nfs/dbraw/zinc/28/56/13/210285613.db2.gz ZXYDSDHJAUKRFS-UHFFFAOYSA-N 1 0 394.523 2.565 40 0 GFABRO Cc1nc2ccc(Cl)cc2cc1C(=O)NCCC[NH+]1CCC(C(N)=O)CC1 ZINC000019718680 210289849 /nfs/dbraw/zinc/28/98/49/210289849.db2.gz SEKPDECFVGLNRV-UHFFFAOYSA-N 1 0 388.899 2.514 40 0 GFABRO C[NH+](C)C[C@H]1CCCN(C(=O)Cn2c3ccccc3nc2-c2ccccn2)C1 ZINC000019582057 210270236 /nfs/dbraw/zinc/27/02/36/210270236.db2.gz APKRXBJXSYGDNW-QGZVFWFLSA-N 1 0 377.492 2.899 40 0 GFABRO C[N@@H+]1CCc2nc([C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)ncc2C1 ZINC000019590585 210273855 /nfs/dbraw/zinc/27/38/55/210273855.db2.gz KYIFJTRQWKKSOH-QGZVFWFLSA-N 1 0 392.912 2.644 40 0 GFABRO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc4nccnc4c2)CC3)CC1 ZINC000012183092 221162627 /nfs/dbraw/zinc/16/26/27/221162627.db2.gz LWLQUFNGNSPDTE-UHFFFAOYSA-N 1 0 390.491 2.508 40 0 GFABRO COc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccc(NC(C)=O)cc2)COC1 ZINC000096112681 560060637 /nfs/dbraw/zinc/06/06/37/560060637.db2.gz DQHJAYHPJXNIDF-KRWDZBQOSA-N 1 0 380.448 2.864 40 0 biogenic,in-vitro GFABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nnc(-c4ccc(N(C)C)cc4)o3)C2)CC1 ZINC000049170263 560084513 /nfs/dbraw/zinc/08/45/13/560084513.db2.gz IVSNRUJOSDTLNO-KRWDZBQOSA-N 1 0 383.496 2.603 40 0 biogenic,in-vitro GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccccc1C ZINC000020801253 570281329 /nfs/dbraw/zinc/28/13/29/570281329.db2.gz LLOGGXDSZYYIBL-UXHICEINSA-N 1 0 391.471 2.760 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccccc1C ZINC000020801257 570281396 /nfs/dbraw/zinc/28/13/96/570281396.db2.gz LLOGGXDSZYYIBL-PMACEKPBSA-N 1 0 391.471 2.760 40 0 GFABRO Cc1ccccc1N(CCCC(=O)NCCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000222547700 570414008 /nfs/dbraw/zinc/41/40/08/570414008.db2.gz OSCGVPOKYIAYDR-UHFFFAOYSA-N 1 0 395.569 2.533 40 0 GFABRO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000035315655 570469577 /nfs/dbraw/zinc/46/95/77/570469577.db2.gz PMSVJCFHGSMZLK-VSOVRNOCSA-N 1 0 380.444 2.868 40 0 GFABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000012205194 570626066 /nfs/dbraw/zinc/62/60/66/570626066.db2.gz LGHFYKHEWJFKKA-KBPBESRZSA-N 1 0 379.888 2.732 40 0 GFABRO C[NH+](C)CCCN1CN=C2N[C@H]([C@H]3CC=CCC3)n3c4ccccc4nc3N2C1 ZINC000009262472 570774846 /nfs/dbraw/zinc/77/48/46/570774846.db2.gz ORVHXKLXMVAFGK-PXNSSMCTSA-N 1 0 393.539 2.839 40 0 GFABRO C[NH+](C)CCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000010111452 570781991 /nfs/dbraw/zinc/78/19/91/570781991.db2.gz WAKRTTXCBGPQGH-FQEVSTJZSA-N 1 0 387.505 2.735 40 0 GFABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218598548 570931705 /nfs/dbraw/zinc/93/17/05/570931705.db2.gz NHVPZIMWEBWGRF-CMKODMSKSA-N 1 0 391.464 2.582 40 0 GFABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCCC2)n1 ZINC000019527168 210256652 /nfs/dbraw/zinc/25/66/52/210256652.db2.gz KXVMXQXPWOBIJM-NRFANRHFSA-N 1 0 380.540 2.958 40 0 GFABRO CCc1noc(CC)c1C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019521322 210255326 /nfs/dbraw/zinc/25/53/26/210255326.db2.gz JKIPURJEPMHZFL-CQSZACIVSA-N 1 0 383.496 2.597 40 0 GFABRO COc1cc2c(cc1O)CC[N@H+](Cc1cn(CC(N)=O)c3ccccc13)[C@@H]2C ZINC000019498327 210252757 /nfs/dbraw/zinc/25/27/57/210252757.db2.gz AECPPGWFNDDDJC-CQSZACIVSA-N 1 0 379.460 2.960 40 0 GFABRO C[C@@H]1CCc2onc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@@H+](C)C4)c2C1 ZINC000019497123 210252357 /nfs/dbraw/zinc/25/23/57/210252357.db2.gz IDEOWRDIRPUADZ-CXAGYDPISA-N 1 0 381.480 2.555 40 0 GFABRO CC(C)N1C[C@H](C(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)CC1=O ZINC000019447646 210249654 /nfs/dbraw/zinc/24/96/54/210249654.db2.gz QHCPDTGNTGAIFW-MVBMGLOESA-N 1 0 399.535 2.565 40 0 GFABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000019448257 210248657 /nfs/dbraw/zinc/24/86/57/210248657.db2.gz BTSBVYBFTTXSNE-IBGZPJMESA-N 1 0 398.482 2.582 40 0 GFABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1 ZINC000019448297 210248000 /nfs/dbraw/zinc/24/80/00/210248000.db2.gz HPFMJTIDJJHBJI-SFHVURJKSA-N 1 0 384.455 2.653 40 0 GFABRO Cn1nc(-c2ccc(CNC(=O)c3n[nH]c4c3CCCC4)cc2)cc1C[NH+](C)C ZINC000019288883 210238129 /nfs/dbraw/zinc/23/81/29/210238129.db2.gz GWHJHHGQUISWLL-UHFFFAOYSA-N 1 0 392.507 2.681 40 0 GFABRO Cc1ccc(OC(C)(C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019210756 210230599 /nfs/dbraw/zinc/23/05/99/210230599.db2.gz CIKBVYCSOVBUEU-QGZVFWFLSA-N 1 0 394.519 2.994 40 0 GFABRO Cc1ccc([C@@H](C)C(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3cccnc32)cc1 ZINC000019136364 210229828 /nfs/dbraw/zinc/22/98/28/210229828.db2.gz ATGDIECVLGBIHI-AEFFLSMTSA-N 1 0 377.492 2.737 40 0 GFABRO Cc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c(C)c1 ZINC000019132746 210226926 /nfs/dbraw/zinc/22/69/26/210226926.db2.gz ZETCNIYSUQQDMZ-MSOLQXFVSA-N 1 0 394.519 2.913 40 0 GFABRO C[N@@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)ncc2C1 ZINC000019083642 210225553 /nfs/dbraw/zinc/22/55/53/210225553.db2.gz NFOUQJZMVXMVOW-QGZVFWFLSA-N 1 0 382.512 2.853 40 0 GFABRO CC(=O)NCCn1nc([C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)c2nccnc21 ZINC000019021585 210223662 /nfs/dbraw/zinc/22/36/62/210223662.db2.gz SACJJKJDZRKCDU-MRXNPFEDSA-N 1 0 398.898 2.605 40 0 GFABRO COc1ccccc1C[N@@H+]1CC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000019021849 210223529 /nfs/dbraw/zinc/22/35/29/210223529.db2.gz UTDKEJCSVPMTBZ-GOSISDBHSA-N 1 0 393.491 2.566 40 0 GFABRO COc1ccc(CC[NH2+]Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000013999192 209193544 /nfs/dbraw/zinc/19/35/44/209193544.db2.gz KWTYOMGOEAKNHT-UHFFFAOYSA-N 1 0 396.443 2.649 40 0 GFABRO COc1ccc(OC)c(NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000011095314 209190968 /nfs/dbraw/zinc/19/09/68/209190968.db2.gz FOSGBYDLIFOZJN-UHFFFAOYSA-N 1 0 397.475 2.537 40 0 GFABRO COC(=O)c1ccc([C@@H]2CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C[NH2+]2)cc1 ZINC000306145481 212056994 /nfs/dbraw/zinc/05/69/94/212056994.db2.gz GPNXCGBLAHTCQJ-JXFKEZNVSA-N 1 0 376.453 2.514 40 0 GFABRO Cc1cncc(C(=O)N2CC3(C2)C[C@@H](COCc2ccccn2)CC[N@H+]3C)c1 ZINC000306145169 212056515 /nfs/dbraw/zinc/05/65/15/212056515.db2.gz ZZWJSZILGREJOJ-SFHVURJKSA-N 1 0 380.492 2.538 40 0 GFABRO O=C(NC1CCC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccsc2)CC1 ZINC000306141731 212055694 /nfs/dbraw/zinc/05/56/94/212055694.db2.gz WEXXDYKNEHXZDX-UHFFFAOYSA-N 1 0 385.537 2.851 40 0 GFABRO Cc1csc(CN2CC3(C2)C[C@@H](COc2ncccc2F)CC[N@H+]3C)n1 ZINC000306141744 212055174 /nfs/dbraw/zinc/05/51/74/212055174.db2.gz WFBLZHPTQUHFIT-HNNXBMFYSA-N 1 0 376.501 2.961 40 0 GFABRO CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccncc2)CC1 ZINC000306126325 212044706 /nfs/dbraw/zinc/04/47/06/212044706.db2.gz DSPORRNAHHAZON-UHFFFAOYSA-N 1 0 396.539 2.678 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000257316632 212024855 /nfs/dbraw/zinc/02/48/55/212024855.db2.gz VGJXPZBSNYXZTR-MJGOQNOKSA-N 1 0 377.916 2.850 40 0 GFABRO COc1ccc(CN(C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3ccc(F)c(Cl)c3)[C@@H]2O)cc1 ZINC000257329482 212026529 /nfs/dbraw/zinc/02/65/29/212026529.db2.gz XKDUCLQVIXDSCH-ZRNYENFQSA-N 1 0 394.874 2.828 40 0 GFABRO Cc1ccc(Nc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)cc1F ZINC000329044788 209158320 /nfs/dbraw/zinc/15/83/20/209158320.db2.gz SXXILPWWGGSEHB-UHFFFAOYSA-N 1 0 380.471 2.937 40 0 GFABRO Cn1ccc(NC(=O)CN2CCCCC[C@@H]3[NH2+][C@H](Cc4ccccc4)C[C@@]32C)n1 ZINC000257226471 212007177 /nfs/dbraw/zinc/00/71/77/212007177.db2.gz FKSUSCTXDIEGSC-QTEQDKRBSA-N 1 0 395.551 2.967 40 0 GFABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257206916 212003917 /nfs/dbraw/zinc/00/39/17/212003917.db2.gz BFLQCOQXZCZLOW-QGZVFWFLSA-N 1 0 382.512 2.524 40 0 GFABRO CC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@H]3c4ccc(OC)cc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257206125 212003707 /nfs/dbraw/zinc/00/37/07/212003707.db2.gz BBYYSLGYQMQCHN-BIJUBFLFSA-N 1 0 388.508 2.898 40 0 GFABRO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@H](C)CO)[nH+]c(C(C)C)n1)C2 ZINC000328999387 209155608 /nfs/dbraw/zinc/15/56/08/209155608.db2.gz JWYGHGPUZZURLN-CQSZACIVSA-N 1 0 384.480 2.742 40 0 GFABRO CN1CC2(CC[NH+](Cc3ccccc3)CC2)COc2ccccc2S1(=O)=O ZINC000096263481 211326761 /nfs/dbraw/zinc/32/67/61/211326761.db2.gz XPWZSHNERZFCII-UHFFFAOYSA-N 1 0 386.517 2.982 40 0 GFABRO COc1ncccc1C[NH+]1CCC2(C[C@H](NC(=O)c3cccs3)CO2)CC1 ZINC000096221245 211319171 /nfs/dbraw/zinc/31/91/71/211319171.db2.gz LJEAVEOJEXVPTR-INIZCTEOSA-N 1 0 387.505 2.705 40 0 GFABRO CNc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1CC[NH2+]C2 ZINC000072376554 211106480 /nfs/dbraw/zinc/10/64/80/211106480.db2.gz QEKNVFYPIUHHCW-SFHVURJKSA-N 1 0 383.471 2.599 40 0 GFABRO O=C(C[NH+]1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1)N1CCOCC1 ZINC000072348734 211095843 /nfs/dbraw/zinc/09/58/43/211095843.db2.gz DELSHNVQXFCNBJ-UHFFFAOYSA-N 1 0 397.494 2.850 40 0 GFABRO O=C(C[N@H+]1CCC[C@@H](Cc2nc3cc(F)ccc3[nH]2)C1)NCc1ccccn1 ZINC000019715559 210285532 /nfs/dbraw/zinc/28/55/32/210285532.db2.gz IIBHVGHBMRYYEV-HNNXBMFYSA-N 1 0 381.455 2.668 40 0 GFABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000019711431 210285571 /nfs/dbraw/zinc/28/55/71/210285571.db2.gz DXSLDOQVVUHPDG-INIZCTEOSA-N 1 0 397.498 2.594 40 0 GFABRO CN(C[C@@H]1COc2ccccc2O1)C(=O)CC1CC[NH+](Cc2ccccn2)CC1 ZINC000019748760 210292716 /nfs/dbraw/zinc/29/27/16/210292716.db2.gz DIYYAECMZYEHSZ-HXUWFJFHSA-N 1 0 395.503 2.982 40 0 GFABRO Cc1cc2ncc(C(=O)N[C@H](CC[NH+]3CCCCC3)c3ccccc3)c(N)n2n1 ZINC000019715599 210287791 /nfs/dbraw/zinc/28/77/91/210287791.db2.gz GCSNRYDEGUJZBB-LJQANCHMSA-N 1 0 392.507 2.967 40 0 GFABRO Cc1ccccc1N1C[C@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000019714009 210286734 /nfs/dbraw/zinc/28/67/34/210286734.db2.gz BZSGDLHKGDTIDF-GOSISDBHSA-N 1 0 392.503 2.524 40 0 GFABRO CC(=O)N1CCc2nnc(C3CC[NH+](Cc4ccccc4Cl)CC3)n2CC1 ZINC000019708961 210283897 /nfs/dbraw/zinc/28/38/97/210283897.db2.gz ZBMXDEUOWZWEKC-UHFFFAOYSA-N 1 0 387.915 2.716 40 0 GFABRO COc1ccccc1C(=O)N1CCN(c2cc(C)nc([C@H]3CCC[NH2+]3)c2)CC1 ZINC000019698278 210282546 /nfs/dbraw/zinc/28/25/46/210282546.db2.gz KCXRHBBBKIXRSE-LJQANCHMSA-N 1 0 380.492 2.786 40 0 GFABRO Cc1n[nH]c(C)c1CC(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019578644 210270981 /nfs/dbraw/zinc/27/09/81/210270981.db2.gz PIRLJVRYXSIKGY-UHFFFAOYSA-N 1 0 382.508 2.891 40 0 GFABRO Cc1oc2c(c1C(=O)N1CC[C@H](c3nn(CC[NH3+])c4ncccc34)C1)CCCC2 ZINC000019581182 210270696 /nfs/dbraw/zinc/27/06/96/210270696.db2.gz VMRXFTAXMJCVGL-HNNXBMFYSA-N 1 0 393.491 2.800 40 0 GFABRO C[N@@H+]1CC[C@@H](c2nn(CCNC(=O)CCc3ccccc3F)c3ncccc23)C1 ZINC000019587902 210273693 /nfs/dbraw/zinc/27/36/93/210273693.db2.gz BMAKGQJUFCIKLX-QGZVFWFLSA-N 1 0 395.482 2.739 40 0 GFABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)CCc4ccccc4F)C3)ncc2C1 ZINC000019590395 210273270 /nfs/dbraw/zinc/27/32/70/210273270.db2.gz BXWUTIHUGQVDAL-KRWDZBQOSA-N 1 0 382.483 2.942 40 0 GFABRO C[C@@H]1CN(c2nccc(CN3CC[NH+]([C@@H]4CCCC[C@@H]4C)CC3)n2)C[C@H](C)O1 ZINC000019496161 136202373 /nfs/dbraw/zinc/20/23/73/136202373.db2.gz OYHFXGNONNTNNM-CTAFRAEOSA-N 1 0 387.572 2.787 40 0 GFABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000408708285 529076951 /nfs/dbraw/zinc/07/69/51/529076951.db2.gz XGKBSPAIRGXWMN-HXUWFJFHSA-N 1 0 379.504 2.535 40 0 GFABRO CC[C@H](C)n1ncn(-c2cc(-c3ccc(O)cc3)ccc2N2CC[NH2+]CC2)c1=O ZINC000098177457 536047696 /nfs/dbraw/zinc/04/76/96/536047696.db2.gz QMHXFKJFFPQUQV-INIZCTEOSA-N 1 0 393.491 2.787 40 0 GFABRO COC[C@H]1CCCN1Cc1nc(C2(O)CC[NH+](C3CCCC3)CC2)cs1 ZINC000225466079 560043371 /nfs/dbraw/zinc/04/33/71/560043371.db2.gz VMCJGJVESDYNQU-QGZVFWFLSA-N 1 0 379.570 2.980 40 0 biogenic,in-vitro GFABRO C[NH+](C)CCCNc1nc(Nc2cccc(F)c2F)cc(-c2ccncc2)n1 ZINC000329068669 570216336 /nfs/dbraw/zinc/21/63/36/570216336.db2.gz YRTHXRIRUKWQCC-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO C[NH+](C)CCNC(=O)c1cccc(-c2ccc(C[C@H]3CCCNC3=O)cc2)c1 ZINC000072356283 570339446 /nfs/dbraw/zinc/33/94/46/570339446.db2.gz NOOOEOVDSISAFS-HXUWFJFHSA-N 1 0 379.504 2.714 40 0 GFABRO COc1c2c(cc3c1[C@@H](C[C@H](O)[C@H]1CCOC(C)(C)C1)[N@H+](C)CC3)OCO2 ZINC000004061875 570614311 /nfs/dbraw/zinc/61/43/11/570614311.db2.gz TWOLFEWIKVSGFO-XHSDSOJGSA-N 1 0 377.481 2.909 40 0 GFABRO COc1c2c(cc3c1[C@@H](C[C@@H](O)[C@@H]1CCOC(C)(C)C1)[N@H+](C)CC3)OCO2 ZINC000004061871 570614319 /nfs/dbraw/zinc/61/43/19/570614319.db2.gz TWOLFEWIKVSGFO-BZUAXINKSA-N 1 0 377.481 2.909 40 0 GFABRO CCn1cc([C@@H](O)C[NH+]2CCN(c3cc(C)nc(C)n3)CC2)c2ccccc21 ZINC000012222312 570627996 /nfs/dbraw/zinc/62/79/96/570627996.db2.gz SWKCLWVICFVSTP-NRFANRHFSA-N 1 0 379.508 2.924 40 0 GFABRO COc1ccc(-c2nc(C)sc2CC(=O)N(C)CC[NH+](C)C)cc1OC ZINC000012238243 570629644 /nfs/dbraw/zinc/62/96/44/570629644.db2.gz PAFMFIMBQUYKQP-UHFFFAOYSA-N 1 0 377.510 2.698 40 0 GFABRO COc1nc(-c2ccccc2)nc(C)c1CC(=O)N(C)CC[NH+]1CCCCC1 ZINC000012360866 570645741 /nfs/dbraw/zinc/64/57/41/570645741.db2.gz BZRUZFAUYHVQMY-UHFFFAOYSA-N 1 0 382.508 2.947 40 0 GFABRO O=C(C[NH2+]C1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000902133 570724693 /nfs/dbraw/zinc/72/46/93/570724693.db2.gz KAIJPCROOWJTQV-UHFFFAOYSA-N 1 0 379.526 2.722 40 0 GFABRO c1ccc2c(c1)nc1n2[C@@]2([NH+]3CCOCC3)CCCC[C@@H]2[C@H]1N1CCOCC1 ZINC000012523764 570807898 /nfs/dbraw/zinc/80/78/98/570807898.db2.gz NNKLHIKTXJPZQM-ZNLUXHQJSA-N 1 0 382.508 2.598 40 0 GFABRO Cc1cn2c(n1)c(C(=O)NCC1CC[NH+](CC(C)C)CC1)cc(Cl)c2N ZINC000003820131 570894654 /nfs/dbraw/zinc/89/46/54/570894654.db2.gz ISKHMDNIWXPUGR-UHFFFAOYSA-N 1 0 377.920 2.976 40 0 in-vivo GFABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000119910455 570924780 /nfs/dbraw/zinc/92/47/80/570924780.db2.gz OBOKAMDNZPWDRN-LLVKDONJSA-N 1 0 377.794 2.898 40 0 GFABRO c1coc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000019369664 570925427 /nfs/dbraw/zinc/92/54/27/570925427.db2.gz ULLKZKQJXJRTMU-OAQYLSRUSA-N 1 0 392.507 2.964 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2c(F)ccc(F)c2F)cc(-c2ccccn2)n1 ZINC000328968094 571048081 /nfs/dbraw/zinc/04/80/81/571048081.db2.gz CXWDSDFHJRDICO-UHFFFAOYSA-N 1 0 388.397 2.517 40 0 GFABRO COc1cccc(CC(=O)N2C[C@H](c3cccc(OC)c3)[C@H]3[NH2+]CCC[C@H]32)c1 ZINC000019564458 210266794 /nfs/dbraw/zinc/26/67/94/210266794.db2.gz KOBNAXJYYJKFQZ-MQSCRBSSSA-N 1 0 380.488 2.993 40 0 GFABRO COc1cccc(C(=O)N2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c1OC ZINC000019567376 210265062 /nfs/dbraw/zinc/26/50/62/210265062.db2.gz BAZOVWRBVIELLN-QGZVFWFLSA-N 1 0 382.464 2.507 40 0 GFABRO Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c(C)c1C ZINC000019556159 210262133 /nfs/dbraw/zinc/26/21/33/210262133.db2.gz DZQMUBHFEAZSIZ-DJJJIMSYSA-N 1 0 382.512 2.559 40 0 GFABRO CCOc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019533594 210258695 /nfs/dbraw/zinc/25/86/95/210258695.db2.gz NGFSBRDTKUOEIG-MGPUTAFESA-N 1 0 396.491 2.652 40 0 GFABRO O=C(COC[C@H]1CCCO1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294295 210240205 /nfs/dbraw/zinc/24/02/05/210240205.db2.gz ZYTWRRYBYHGARN-DYQZNNLLSA-N 1 0 390.499 2.848 40 0 GFABRO COCCOc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c1 ZINC000019291399 210237605 /nfs/dbraw/zinc/23/76/05/210237605.db2.gz XIOMBTFKOXGGNQ-QIDMFYOTSA-N 1 0 385.508 2.565 40 0 GFABRO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc(C3CC[NH+](C)CC3)ncc2C1 ZINC000019079465 210223331 /nfs/dbraw/zinc/22/33/31/210223331.db2.gz BLQXLSGGPUNINR-OAHLLOKOSA-N 1 0 398.482 2.777 40 0 GFABRO Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3C[NH2+]C2CCOCC2)n1 ZINC000039960780 291122932 /nfs/dbraw/zinc/12/29/32/291122932.db2.gz INGUXUFDBQIFBA-UHOSZYNNSA-N 1 0 382.508 2.991 40 0 biogenic,in-vitro GFABRO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@H]1C[N@@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306144180 212054475 /nfs/dbraw/zinc/05/44/75/212054475.db2.gz YYCRLPCVRVYQQC-RDJZCZTQSA-N 1 0 398.532 2.597 40 0 GFABRO CC(C)n1cc2c(n1)C1(CC[NH+](Cc3ccc4c(c3)OCO4)CC1)CN(C)C2=O ZINC000306134285 212050348 /nfs/dbraw/zinc/05/03/48/212050348.db2.gz NHPZUVAKJVYMSK-UHFFFAOYSA-N 1 0 396.491 2.812 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306131052 212048264 /nfs/dbraw/zinc/04/82/64/212048264.db2.gz JVIAUTCSXBNKOV-IRXDYDNUSA-N 1 0 391.450 2.974 40 0 GFABRO COCCN1CC[C@]2(C[N@H+](Cc3ccco3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306129919 212046298 /nfs/dbraw/zinc/04/62/98/212046298.db2.gz IQQLTRAKSMRJIT-GHTZIAJQSA-N 1 0 386.496 2.522 40 0 GFABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccoc3)C[C@H]1C2 ZINC000306126743 212045450 /nfs/dbraw/zinc/04/54/50/212045450.db2.gz FDULWWGQZVCOBF-HUUCEWRRSA-N 1 0 381.411 2.567 40 0 GFABRO O=C1N(CC2CC2)CCO[C@@]12C[N@H+](Cc1ccc(F)cc1)C[C@H]2c1cccnc1 ZINC000306125901 212044436 /nfs/dbraw/zinc/04/44/36/212044436.db2.gz DFDLGRGLDMYOGS-JTHBVZDNSA-N 1 0 395.478 2.828 40 0 GFABRO CN(Cc1ccccc1)C(=O)[C@@H](N(C(N)=S)[C@@H]1CCCC[C@H]1[NH3+])C(C)(C)C ZINC000299754540 212031602 /nfs/dbraw/zinc/03/16/02/212031602.db2.gz HYFBUTQSAPSLHI-KZNAEPCWSA-N 1 0 390.597 2.875 40 0 GFABRO CC(=O)N[C@@H]1C[C@H](c2cccc(OCC[NH+](C)C)c2)OC2(CCOCC2)C1 ZINC000257311437 212022317 /nfs/dbraw/zinc/02/23/17/212022317.db2.gz UJLKRSBCXSMPPJ-UYAOXDASSA-N 1 0 376.497 2.532 40 0 GFABRO CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CC[NH+]3CCCC3)CCO2)n1 ZINC000257290600 212018528 /nfs/dbraw/zinc/01/85/28/212018528.db2.gz QDNVFUDVZSHOAE-FQEVSTJZSA-N 1 0 398.507 2.993 40 0 GFABRO Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)C3(C)CC[NH+](C)CC3)C2)ncn1 ZINC000257280791 212016673 /nfs/dbraw/zinc/01/66/73/212016673.db2.gz OMLPHRKJDOUCDJ-QGZVFWFLSA-N 1 0 397.523 2.871 40 0 GFABRO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1N1CCCCC1 ZINC000257266492 212014346 /nfs/dbraw/zinc/01/43/46/212014346.db2.gz MDFUFAFYDMGPLM-QHCPKHFHSA-N 1 0 392.547 2.849 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccccc1Cl ZINC000257228561 212007546 /nfs/dbraw/zinc/00/75/46/212007546.db2.gz FUHGWGAYGBIXFA-APWZRJJASA-N 1 0 377.916 2.850 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2ccccc2Br)cc(C2CC2)n1 ZINC000328974204 209154571 /nfs/dbraw/zinc/15/45/71/209154571.db2.gz FDZDDEQGNKODJU-UHFFFAOYSA-N 1 0 376.302 2.677 40 0 GFABRO Cc1c(F)cccc1Nc1cc(-c2cccnc2)nc(NCCC[NH+](C)C)n1 ZINC000328969512 209153966 /nfs/dbraw/zinc/15/39/66/209153966.db2.gz DEWIGWVJXGCDKG-UHFFFAOYSA-N 1 0 380.471 2.937 40 0 GFABRO O=S(=O)(c1cccc(F)c1)N1CC[C@]2(C1)CCC[N@H+](CC1CCOCC1)C2 ZINC000096215462 211320467 /nfs/dbraw/zinc/32/04/67/211320467.db2.gz HTVXCKSYSNUKKZ-HXUWFJFHSA-N 1 0 396.528 2.729 40 0 GFABRO CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000096036864 211296659 /nfs/dbraw/zinc/29/66/59/211296659.db2.gz MEMDWDSFZDFBSN-QGZVFWFLSA-N 1 0 388.537 2.703 40 0 GFABRO O=S(=O)(N[C@@H]1CCC12CC[NH+](CC1CCOCC1)CC2)c1ccccc1 ZINC000096051670 211296273 /nfs/dbraw/zinc/29/62/73/211296273.db2.gz ZYOULQABISIXEM-LJQANCHMSA-N 1 0 378.538 2.636 40 0 GFABRO O=c1cccc2n1[C@@H]1C[C@H](C2)CN(Cc2nc(-c3cccnc3Cl)no2)C1 ZINC000072389685 211106949 /nfs/dbraw/zinc/10/69/49/211106949.db2.gz NCMAVXWCCOAJGL-GXTWGEPZSA-N 1 0 383.839 2.566 40 0 GFABRO CCOc1ccccc1C(=O)N(C)Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)C)n1 ZINC000019710011 210286466 /nfs/dbraw/zinc/28/64/66/210286466.db2.gz SRCAUBWZQHMJCR-MRXNPFEDSA-N 1 0 397.523 2.681 40 0 GFABRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cn2cnc3sccc3c2=O)CC1 ZINC000019715366 210286326 /nfs/dbraw/zinc/28/63/26/210286326.db2.gz SMGNOUUTIVGTHE-UHFFFAOYSA-N 1 0 396.516 2.581 40 0 GFABRO CCN(C(=O)Cn1c(CN2CCCCC2)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000019663338 210279306 /nfs/dbraw/zinc/27/93/06/210279306.db2.gz ZITZYXURRSCZSA-UHFFFAOYSA-N 1 0 397.567 2.965 40 0 GFABRO COCCOc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000019593686 210274550 /nfs/dbraw/zinc/27/45/50/210274550.db2.gz GHCCHZQMFCYIJW-INIZCTEOSA-N 1 0 381.436 2.541 40 0 GFABRO COCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)no1 ZINC000019593565 210274332 /nfs/dbraw/zinc/27/43/32/210274332.db2.gz QFZAPTSLCGOJTQ-QGZVFWFLSA-N 1 0 394.475 2.979 40 0 GFABRO C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2S(=O)(=O)N1CCCC1 ZINC000019590819 210273637 /nfs/dbraw/zinc/27/36/37/210273637.db2.gz LGXNHDRJSBMBHW-ZCNNSNEGSA-N 1 0 395.544 2.809 40 0 GFABRO CN(C)c1cccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c1 ZINC000019590450 210273662 /nfs/dbraw/zinc/27/36/62/210273662.db2.gz IUFCKKJUPDKURF-QGZVFWFLSA-N 1 0 379.508 2.550 40 0 GFABRO COc1ccc(CCC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019590391 210271762 /nfs/dbraw/zinc/27/17/62/210271762.db2.gz QYZLCXYERKQKQV-SFHVURJKSA-N 1 0 394.519 2.812 40 0 GFABRO C[NH+]1CCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)CC1 ZINC000072339487 536425665 /nfs/dbraw/zinc/42/56/65/536425665.db2.gz BDWOZZMMYGWONQ-UHFFFAOYSA-N 1 0 375.432 2.686 40 0 GFABRO C[C@H]1C[C@H](C)C[NH+](CCNC(=O)c2cccc(I)c2)C1 ZINC000048482612 551156960 /nfs/dbraw/zinc/15/69/60/551156960.db2.gz KBXWDANGSICLBI-STQMWFEESA-N 1 0 386.277 2.999 40 0 GFABRO COC(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)ccc1Cl ZINC000223515708 553057175 /nfs/dbraw/zinc/05/71/75/553057175.db2.gz WLYPHIDFJXNICR-CYBMUJFWSA-N 1 0 388.917 2.527 40 0 GFABRO COC(=O)c1ccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000225216564 553058857 /nfs/dbraw/zinc/05/88/57/553058857.db2.gz UHQDVMGNPBWMMY-UHFFFAOYSA-N 1 0 379.551 2.683 40 0 GFABRO COc1ccc2c3c1O[C@]1(C)[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)=O)C2 ZINC000253504325 560038397 /nfs/dbraw/zinc/03/83/97/560038397.db2.gz FNIFBBNFYMIPEZ-RXCHFPMDSA-N 1 0 395.499 2.895 40 0 biogenic,in-vitro GFABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccn2)on1)NCc1ccco1 ZINC000012482197 560212207 /nfs/dbraw/zinc/21/22/07/560212207.db2.gz NLXWTUIXJHYDJI-HOTGVXAUSA-N 1 0 380.448 2.804 40 0 biogenic,in-vitro GFABRO Cc1cc(C)n([C@H](C)CC(=O)NC[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)n1 ZINC000022888240 570332932 /nfs/dbraw/zinc/33/29/32/570332932.db2.gz RDAZQZRCLWKNEX-IRLDBZIGSA-N 1 0 397.567 2.864 40 0 GFABRO CSc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1NC(C)=O ZINC000222787960 570425835 /nfs/dbraw/zinc/42/58/35/570425835.db2.gz IWTZNJYKSIIKPO-UHFFFAOYSA-N 1 0 399.582 2.767 40 0 GFABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)CC1 ZINC000006517658 570482368 /nfs/dbraw/zinc/48/23/68/570482368.db2.gz HBXOCRNIXQDBQM-MDZDMXLPSA-N 1 0 384.505 2.948 40 0 GFABRO C[N@@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@@H](O)COc1ccccc1 ZINC000257266367 570488101 /nfs/dbraw/zinc/48/81/01/570488101.db2.gz MCRJGJOFKFEQBW-HXUWFJFHSA-N 1 0 381.476 2.834 40 0 GFABRO CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)[NH2+][C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000008995815 570545838 /nfs/dbraw/zinc/54/58/38/570545838.db2.gz FVKQFELKGIGCNI-QCBUCWTNSA-N 1 0 389.883 2.517 40 0 GFABRO O=C(C[NH+]1CCC(c2ccncc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000012117352 570612076 /nfs/dbraw/zinc/61/20/76/570612076.db2.gz VEGZJENZHXGFAQ-UHFFFAOYSA-N 1 0 382.483 2.749 40 0 GFABRO C[NH+](C)CCNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000010111609 570781829 /nfs/dbraw/zinc/78/18/29/570781829.db2.gz REWIJKHOUKCGDF-QFIPXVFZSA-N 1 0 397.544 2.795 40 0 GFABRO COc1ccc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)cc1OC ZINC000013569036 570850620 /nfs/dbraw/zinc/85/06/20/570850620.db2.gz ILGKFUGMIGEPLU-UHFFFAOYSA-N 1 0 385.508 2.823 40 0 GFABRO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[NH+]3CCC(O)CC3)C2)CC1 ZINC000585104489 570932819 /nfs/dbraw/zinc/93/28/19/570932819.db2.gz PFNUVTCXBJHFRF-FQEVSTJZSA-N 1 0 386.536 2.717 40 0 GFABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000585105155 570934562 /nfs/dbraw/zinc/93/45/62/570934562.db2.gz ZSFRHAZVJLQPFO-GOSISDBHSA-N 1 0 378.538 2.651 40 0 GFABRO CCCN1CCN(C(=O)C[NH2+]C)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183545 571000749 /nfs/dbraw/zinc/00/07/49/571000749.db2.gz ACGWLKDAMQJIKI-JOCHJYFZSA-N 1 0 393.531 2.813 40 0 GFABRO CCn1cnc2sc(C(=O)NC(C)(C)C[NH+]3CCCCC3)c(C)c2c1=O ZINC000019717360 571039467 /nfs/dbraw/zinc/03/94/67/571039467.db2.gz UZYCNMZPXDEVFT-UHFFFAOYSA-N 1 0 376.526 2.781 40 0 GFABRO Cc1c(C(=O)Nc2cc(C)ccc2OCC[NH+](C)C)sc2[nH]cnc(=O)c12 ZINC000019717811 571040817 /nfs/dbraw/zinc/04/08/17/571040817.db2.gz BZCNPZFPBNPTCP-UHFFFAOYSA-N 1 0 386.477 2.794 40 0 GFABRO O=C(Cn1ncc2c1c1ccccc1oc2=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000005004725 571043154 /nfs/dbraw/zinc/04/31/54/571043154.db2.gz LKDOQVROAKLQNB-UHFFFAOYSA-N 1 0 394.475 2.620 40 0 aggregator GFABRO Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c(C)c1C ZINC000019556786 210262085 /nfs/dbraw/zinc/26/20/85/210262085.db2.gz OQLDYGGEGQEGRY-VBKZILBWSA-N 1 0 396.539 2.586 40 0 GFABRO COc1cc2c(cc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1cc(F)cc(F)c1)OCO2 ZINC000019550654 210260643 /nfs/dbraw/zinc/26/06/43/210260643.db2.gz MUCVNJLEQJSMEV-QRWLVFNGSA-N 1 0 390.386 2.812 40 0 GFABRO COc1ccc(OC)c(C(=O)N2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019551086 210260734 /nfs/dbraw/zinc/26/07/34/210260734.db2.gz OPDFYHFJKHUVLT-GOSISDBHSA-N 1 0 382.464 2.507 40 0 GFABRO CC[NH+]1CCN(CCNc2ncc(-c3ccccn3)c(-c3ccco3)n2)CC1 ZINC000019528206 210260248 /nfs/dbraw/zinc/26/02/48/210260248.db2.gz COAIZYUYLBOCGC-UHFFFAOYSA-N 1 0 378.480 2.848 40 0 GFABRO CCOc1ccccc1C(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019520064 210254872 /nfs/dbraw/zinc/25/48/72/210254872.db2.gz TURYVTCRAZREMB-INIZCTEOSA-N 1 0 380.492 2.883 40 0 GFABRO C[C@@H]1Cc2cc(C(=O)N3CCC(c4ncc5c(n4)CC[N@@H+](C)C5)CC3)ccc2O1 ZINC000019497909 210253345 /nfs/dbraw/zinc/25/33/45/210253345.db2.gz JLHNUKNEMNNPFG-OAHLLOKOSA-N 1 0 392.503 2.808 40 0 GFABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450083 210247450 /nfs/dbraw/zinc/24/74/50/210247450.db2.gz WTFVINFSPJBBGZ-PMACEKPBSA-N 1 0 393.535 2.817 40 0 GFABRO CC(=O)NCCn1nc([C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)c2cccnc21 ZINC000019234944 210232517 /nfs/dbraw/zinc/23/25/17/210232517.db2.gz CRVQSFQOOCHHTA-LJQANCHMSA-N 1 0 377.492 2.865 40 0 GFABRO Cc1ccc2c(cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[NH2+]C4)n2C)c1 ZINC000019221211 210230777 /nfs/dbraw/zinc/23/07/77/210230777.db2.gz DCQDDINRGKPDJD-LJQANCHMSA-N 1 0 375.476 2.900 40 0 GFABRO Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)cc1 ZINC000019135915 210227766 /nfs/dbraw/zinc/22/77/66/210227766.db2.gz SCTPXFWAHVPNQQ-AEFFLSMTSA-N 1 0 394.519 2.576 40 0 GFABRO Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c(C)c1 ZINC000019132742 210227284 /nfs/dbraw/zinc/22/72/84/210227284.db2.gz ZETCNIYSUQQDMZ-ZWKOTPCHSA-N 1 0 394.519 2.913 40 0 GFABRO C[N@@H+]1CCC[C@H](c2ncc3c(n2)CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C3)C1 ZINC000019083676 210226024 /nfs/dbraw/zinc/22/60/24/210226024.db2.gz UYBKOFMWQBWWOH-AWEZNQCLSA-N 1 0 382.512 2.505 40 0 GFABRO COc1cccc(C[N@@H+]2CC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000019021829 210224302 /nfs/dbraw/zinc/22/43/02/210224302.db2.gz VCNLBHMBZRSNEZ-SFHVURJKSA-N 1 0 393.491 2.566 40 0 GFABRO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019078503 210223719 /nfs/dbraw/zinc/22/37/19/210223719.db2.gz RPDOHJNRDBCLNW-HOTGVXAUSA-N 1 0 398.482 2.777 40 0 GFABRO CC(=O)NCCn1nc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)c2nccnc21 ZINC000019021558 210223479 /nfs/dbraw/zinc/22/34/79/210223479.db2.gz JJHPPRAVOBMXRJ-MRXNPFEDSA-N 1 0 398.898 2.605 40 0 GFABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)cc1 ZINC000019018391 210222619 /nfs/dbraw/zinc/22/26/19/210222619.db2.gz XWELYQNWRHVFTA-GOSISDBHSA-N 1 0 380.492 2.769 40 0 GFABRO C[NH+](C)CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000013669938 210076101 /nfs/dbraw/zinc/07/61/01/210076101.db2.gz KTFXJWVYMDIROI-OAQYLSRUSA-N 1 0 383.517 2.752 40 0 GFABRO COc1cc(COC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000002686927 209376615 /nfs/dbraw/zinc/37/66/15/209376615.db2.gz WXONXIJDSQKEMJ-MAUKXSAKSA-N 1 0 375.465 2.941 40 0 GFABRO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)cc1 ZINC000306142034 212054829 /nfs/dbraw/zinc/05/48/29/212054829.db2.gz WNKDGLRNSUPCJZ-YADHBBJMSA-N 1 0 388.471 2.973 40 0 GFABRO O=C(NC1CCC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306140322 212053441 /nfs/dbraw/zinc/05/34/41/212053441.db2.gz UPRKFLVGQDOYPL-LSDHHAIUSA-N 1 0 385.899 2.518 40 0 GFABRO Cc1ncsc1C[N@@H+]1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306140701 212053934 /nfs/dbraw/zinc/05/39/34/212053934.db2.gz VBGXMNKLVHDGRR-INIZCTEOSA-N 1 0 398.536 2.710 40 0 GFABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)s1 ZINC000306131298 212048911 /nfs/dbraw/zinc/04/89/11/212048911.db2.gz KAPKLKYGNPXTRN-INIZCTEOSA-N 1 0 383.521 2.925 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306126737 212044190 /nfs/dbraw/zinc/04/41/90/212044190.db2.gz FDTMVAHGIMXNTE-HOTGVXAUSA-N 1 0 379.489 2.896 40 0 GFABRO O=C1N(CC2CC2)CCO[C@@]12C[N@H+](Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306125898 212044917 /nfs/dbraw/zinc/04/49/17/212044917.db2.gz DFDLGRGLDMYOGS-FYYLOGMGSA-N 1 0 395.478 2.828 40 0 GFABRO CN1C(=O)C2(C[C@H]1Cc1ccccc1)CCN(C(=O)C[NH+]1CCCCC1)CC2 ZINC000257257462 212013010 /nfs/dbraw/zinc/01/30/10/212013010.db2.gz KPQYKZHHWNGCBU-HXUWFJFHSA-N 1 0 383.536 2.555 40 0 GFABRO Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1O ZINC000257227324 212007598 /nfs/dbraw/zinc/00/75/98/212007598.db2.gz FOTKGWZKGKNXKL-NJDAHSKKSA-N 1 0 382.508 2.672 40 0 GFABRO Cc1nc(N2CCc3cc(Br)ccc3C2)cc(N[C@@H](C)CO)[nH+]1 ZINC000329031191 209157353 /nfs/dbraw/zinc/15/73/53/209157353.db2.gz QHISMVKXFPLMND-NSHDSACASA-N 1 0 377.286 2.903 40 0 GFABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3ccc(F)cc3)C2)CC1 ZINC000072346250 211095594 /nfs/dbraw/zinc/09/55/94/211095594.db2.gz XKWNPYHKUWTZMA-KRWDZBQOSA-N 1 0 397.498 2.913 40 0 GFABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000072345964 211095617 /nfs/dbraw/zinc/09/56/17/211095617.db2.gz REKAIGNFKCWGGJ-SFHVURJKSA-N 1 0 388.475 2.599 40 0 GFABRO Cc1cccn2c(=O)c(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cnc12 ZINC000019714702 210286205 /nfs/dbraw/zinc/28/62/05/210286205.db2.gz NWOGHPQKDJJLPU-UHFFFAOYSA-N 1 0 382.508 2.922 40 0 GFABRO C[N@H+]1CCc2nnc([C@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2CC1 ZINC000019706361 210283131 /nfs/dbraw/zinc/28/31/31/210283131.db2.gz ZEGKJKXUOMDKBW-LJQANCHMSA-N 1 0 392.507 2.544 40 0 GFABRO Cc1cc(-c2cnc(N)nc2)cc(C2CC[NH+](CC(=O)N3CCCCC3)CC2)n1 ZINC000019691951 210281695 /nfs/dbraw/zinc/28/16/95/210281695.db2.gz HBFKFMGBCLQNOE-UHFFFAOYSA-N 1 0 394.523 2.621 40 0 GFABRO C[NH+](C)CCC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000019665510 210280299 /nfs/dbraw/zinc/28/02/99/210280299.db2.gz ZQQUPBBCGHSQHG-MRXNPFEDSA-N 1 0 377.916 2.883 40 0 GFABRO Cc1cccn2c(=O)c(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+](C)C)cnc12 ZINC000019663170 210279452 /nfs/dbraw/zinc/27/94/52/210279452.db2.gz YMSFDXWBFVWRBP-QGZVFWFLSA-N 1 0 384.867 2.689 40 0 GFABRO C[NH+](C)CCn1nc([C@H]2CCN(C(=O)CCC3CCCC3)C2)c2nccnc21 ZINC000019583061 210269709 /nfs/dbraw/zinc/26/97/09/210269709.db2.gz YFDYDMIZVRNLQX-KRWDZBQOSA-N 1 0 384.528 2.674 40 0 GFABRO C[N@@H+]1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)ncc2C1 ZINC000019590355 210273403 /nfs/dbraw/zinc/27/34/03/210273403.db2.gz IULLCCVHGAHVRB-GOSISDBHSA-N 1 0 390.484 2.520 40 0 GFABRO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096050144 136183319 /nfs/dbraw/zinc/18/33/19/136183319.db2.gz BZIGGYLHNBMFLW-JOCHJYFZSA-N 1 0 381.451 2.666 40 0 GFABRO C[NH+]1CCN(c2ccc(NC(=S)NCc3ccccc3Cl)cn2)CC1 ZINC000223935397 136206058 /nfs/dbraw/zinc/20/60/58/136206058.db2.gz TXFYBHRZHMHTGT-UHFFFAOYSA-N 1 0 375.929 2.973 40 0 GFABRO COc1ccc(CN2C(=O)CO[C@H]3C[N@@H+](Cc4c[nH]c5ccccc45)C[C@H]32)cc1 ZINC000067897218 560050013 /nfs/dbraw/zinc/05/00/13/560050013.db2.gz NFKHAJOVXWEZKU-YADHBBJMSA-N 1 0 391.471 2.788 40 0 biogenic,in-vitro GFABRO Cc1ccc(CNc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)cc1 ZINC000329018368 570212462 /nfs/dbraw/zinc/21/24/62/570212462.db2.gz NQXYWWIJXSCUIF-UHFFFAOYSA-N 1 0 376.508 2.667 40 0 GFABRO COCC[N@@H+]1CCC[C@@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000019766356 570217737 /nfs/dbraw/zinc/21/77/37/570217737.db2.gz ZLHHXOZHHCXDQS-QGZVFWFLSA-N 1 0 386.471 2.680 40 0 GFABRO CCN1CCC[C@@H]([NH2+]Cc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)C1 ZINC000022914964 570334744 /nfs/dbraw/zinc/33/47/44/570334744.db2.gz KNLRYTVGFIYFAK-QGZVFWFLSA-N 1 0 383.471 2.735 40 0 GFABRO CC(C)(C)CC[NH+]1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@@H]1COCCN12 ZINC000604382028 570353021 /nfs/dbraw/zinc/35/30/21/570353021.db2.gz ZRMNNQNHOBPZAM-LJQANCHMSA-N 1 0 386.540 2.726 40 0 biogenic,in-vitro GFABRO CC[NH+](CC)CCN(C)c1ccc(CO)c2c1C(=O)c1ccccc1S2=O ZINC000005010743 570423860 /nfs/dbraw/zinc/42/38/60/570423860.db2.gz DKFBADJXESVXLK-UHFFFAOYSA-N 1 0 386.517 2.668 40 0 GFABRO O=C(Cn1nnc(-c2ccc(C[NH+]3CCCCC3)cc2)n1)NCc1ccccc1 ZINC000035290065 570456433 /nfs/dbraw/zinc/45/64/33/570456433.db2.gz WFXYLOVVTVLNBJ-UHFFFAOYSA-N 1 0 390.491 2.642 40 0 GFABRO CO[C@H](CN1CC[NH+](C[C@@H](O)[C@@H](OC)c2ccccc2)CC1)c1ccccc1 ZINC000030691529 570493927 /nfs/dbraw/zinc/49/39/27/570493927.db2.gz VSTNNAYSCJQCQI-ZLNRFVROSA-N 1 0 384.520 2.740 40 0 in-man GFABRO CCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)N2CC[NH+](C)CC2)c1=O ZINC000022697258 570529736 /nfs/dbraw/zinc/52/97/36/570529736.db2.gz FOFLFQJKMCCDOS-HXUWFJFHSA-N 1 0 387.549 2.941 40 0 GFABRO O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000225278371 570560974 /nfs/dbraw/zinc/56/09/74/570560974.db2.gz ZVLSTRCBPUVZAW-IEBWSBKVSA-N 1 0 384.451 2.994 40 0 GFABRO COc1ccc(OC)c([C@H](O)C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 ZINC000036734382 570567981 /nfs/dbraw/zinc/56/79/81/570567981.db2.gz ZHQHRAXXBPQXFL-FXAWDEMLSA-N 1 0 390.524 2.852 40 0 GFABRO Cc1ccc(C2(O)CC[NH+](CCNC(=O)c3cc(C(C)(C)C)n[nH]3)CC2)cc1 ZINC000012147572 570617234 /nfs/dbraw/zinc/61/72/34/570617234.db2.gz QCUDEMUHFILXAN-UHFFFAOYSA-N 1 0 384.524 2.729 40 0 GFABRO COc1cccc2c1cc(C(=O)NC[C@H](c1ccc3c(c1)OCO3)[NH+](C)C)n2C ZINC000012148648 570617665 /nfs/dbraw/zinc/61/76/65/570617665.db2.gz AWDJSZZHVCCCGX-GOSISDBHSA-N 1 0 395.459 2.948 40 0 GFABRO COc1cccc(C2(O)CC[NH+](CCNC(=O)Cc3cccc(C)c3)CC2)c1 ZINC000012291043 570632959 /nfs/dbraw/zinc/63/29/59/570632959.db2.gz KSBQYBMSUWBBPB-UHFFFAOYSA-N 1 0 382.504 2.646 40 0 GFABRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Cl)c1OCC(N)=O ZINC000008253781 570765954 /nfs/dbraw/zinc/76/59/54/570765954.db2.gz TUJDVKWUJLADAY-UHFFFAOYSA-N 1 0 392.839 2.621 40 0 GFABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218480629 570903516 /nfs/dbraw/zinc/90/35/16/570903516.db2.gz ABQNVLMROCNAHX-SVFBPWRDSA-N 1 0 387.501 2.751 40 0 GFABRO O=C(Nc1ccc(C(=O)N2CCC[C@]3(CC[N@@H+]3C[C@@H]3CCCO3)C2)cc1)C1CC1 ZINC000585102256 570929941 /nfs/dbraw/zinc/92/99/41/570929941.db2.gz VNFNPYTTZNSPTE-REWPJTCUSA-N 1 0 397.519 2.895 40 0 GFABRO CCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000585106123 570935844 /nfs/dbraw/zinc/93/58/44/570935844.db2.gz OFYLAQGFLLTCPA-CABCVRRESA-N 1 0 393.890 2.542 40 0 GFABRO C[NH+](C)CCCN1CN=C2N[C@H]([C@@H]3CC=CCC3)n3c4ccccc4nc3N2C1 ZINC000226313280 570954335 /nfs/dbraw/zinc/95/43/35/570954335.db2.gz ORVHXKLXMVAFGK-XLIONFOSSA-N 1 0 393.539 2.839 40 0 GFABRO Cc1cn2c(ncc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCC3)c2=O)s1 ZINC000019717085 571039061 /nfs/dbraw/zinc/03/90/61/571039061.db2.gz DYQOWTPNSSTTNW-GOSISDBHSA-N 1 0 396.516 2.940 40 0 GFABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000019500329 210254341 /nfs/dbraw/zinc/25/43/41/210254341.db2.gz XKDIQYPPIWPVTJ-KRWDZBQOSA-N 1 0 390.528 2.634 40 0 GFABRO CC(C)[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)n2)C1 ZINC000019462922 210253556 /nfs/dbraw/zinc/25/35/56/210253556.db2.gz RLQMQYYSZBJAFA-CGTJXYLNSA-N 1 0 386.540 2.720 40 0 GFABRO O=C(CCOc1ccc(Cl)cc1)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019335891 210240948 /nfs/dbraw/zinc/24/09/48/210240948.db2.gz JHSGHGBOVFSZME-GOSISDBHSA-N 1 0 386.883 2.908 40 0 GFABRO O=S(=O)(c1cccnc1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294309 210240548 /nfs/dbraw/zinc/24/05/48/210240548.db2.gz YFXDMKZRXSMGQV-ZCNNSNEGSA-N 1 0 389.496 2.910 40 0 GFABRO Cc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c(C)c1 ZINC000019132739 210228172 /nfs/dbraw/zinc/22/81/72/210228172.db2.gz ZETCNIYSUQQDMZ-QZTJIDSGSA-N 1 0 394.519 2.913 40 0 GFABRO C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C3)C1 ZINC000019083673 210225213 /nfs/dbraw/zinc/22/52/13/210225213.db2.gz UYBKOFMWQBWWOH-CQSZACIVSA-N 1 0 382.512 2.505 40 0 GFABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000019021852 210224222 /nfs/dbraw/zinc/22/42/22/210224222.db2.gz UTDKEJCSVPMTBZ-SFHVURJKSA-N 1 0 393.491 2.566 40 0 GFABRO COc1cc(C(=O)NCc2ccccc2OCC[NH+](C)C)cc(OC)c1OC ZINC000001670294 209335217 /nfs/dbraw/zinc/33/52/17/209335217.db2.gz AYENQHNLPCLLIB-UHFFFAOYSA-N 1 0 388.464 2.583 40 0 GFABRO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@@H]1C[N@@H+](Cc3cccs3)C[C@H]1C2 ZINC000306140048 212052688 /nfs/dbraw/zinc/05/26/88/212052688.db2.gz UIFQRKLAPBZBPY-WMLDXEAASA-N 1 0 398.532 2.597 40 0 GFABRO O=C(NC1CC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccccc2F)CC1 ZINC000306136962 212050866 /nfs/dbraw/zinc/05/08/66/212050866.db2.gz QHOXDGZRCWYQNV-UHFFFAOYSA-N 1 0 383.471 2.538 40 0 GFABRO Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)C3(C)CC[NH+](C)CC3)C2)ncn1 ZINC000257280790 212015527 /nfs/dbraw/zinc/01/55/27/212015527.db2.gz OMLPHRKJDOUCDJ-KRWDZBQOSA-N 1 0 397.523 2.871 40 0 GFABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCN(S(=O)(=O)N(C)C)C3)c2)c1 ZINC000257243896 212009259 /nfs/dbraw/zinc/00/92/59/212009259.db2.gz IJAQERWYXCUKJQ-OAHLLOKOSA-N 1 0 390.509 2.738 40 0 GFABRO Cn1nc(C(=O)N2CCC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)c2ccccc21 ZINC000096228374 211321785 /nfs/dbraw/zinc/32/17/85/211321785.db2.gz ZESGVEDIMLBCLL-JTSKRJEESA-N 1 0 382.508 2.680 40 0 GFABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3cnn(C)c3)CC2)Oc2ccccc21 ZINC000096053149 211299434 /nfs/dbraw/zinc/29/94/34/211299434.db2.gz OVXQUXIPPWRNQT-SFHVURJKSA-N 1 0 382.508 2.799 40 0 GFABRO CC(C)n1cnc2c1[C@@H](C(=O)NCCC[NH+](C)C)N(Cc1ccccc1)CC2 ZINC000096037535 211296013 /nfs/dbraw/zinc/29/60/13/211296013.db2.gz HZRAPUVANZPMOD-NRFANRHFSA-N 1 0 383.540 2.631 40 0 GFABRO COCc1cc(CN2CCn3c(nnc3[C@@H]3CCC[NH2+]C3)C2)ccc1OC(C)C ZINC000072372151 211103780 /nfs/dbraw/zinc/10/37/80/211103780.db2.gz QIPWTYOILAUJRX-GOSISDBHSA-N 1 0 399.539 2.695 40 0 GFABRO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cnccn3)CC2)c2cc(F)ccc21 ZINC000019749739 210293892 /nfs/dbraw/zinc/29/38/92/210293892.db2.gz DCPVTOKUGRYXMO-QGZVFWFLSA-N 1 0 381.455 2.892 40 0 GFABRO COc1ccccc1C[NH+]1CCC(c2cc(C(=O)N3CCC[C@@H](O)C3)on2)CC1 ZINC000019570129 210268399 /nfs/dbraw/zinc/26/83/99/210268399.db2.gz UJJQHIJVQUDDLS-GOSISDBHSA-N 1 0 399.491 2.660 40 0 GFABRO C[C@H](CC[N@@H+]1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1)c1ccccc1 ZINC000072394677 136169227 /nfs/dbraw/zinc/16/92/27/136169227.db2.gz IRUCFYGRANCSFQ-MJGOQNOKSA-N 1 0 382.508 2.590 40 0 GFABRO COC(=O)c1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C)C2)ccc1Cl ZINC000260746357 553152882 /nfs/dbraw/zinc/15/28/82/553152882.db2.gz WLYPHIDFJXNICR-ZDUSSCGKSA-N 1 0 388.917 2.527 40 0 GFABRO CC(C)[NH2+]C[C@H]1O[C@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@@H]1O ZINC000096268993 560054300 /nfs/dbraw/zinc/05/43/00/560054300.db2.gz FRXBYCFMJWNSRC-ILWGZMRPSA-N 1 0 387.524 2.756 40 0 biogenic,in-vitro GFABRO CCS(=O)(=O)c1ccc2oc([C@H]3CCN(C4CC[NH+](C)CC4)C3)nc2c1 ZINC000049169127 560084780 /nfs/dbraw/zinc/08/47/80/560084780.db2.gz MLHQPXPDUXVXHR-AWEZNQCLSA-N 1 0 377.510 2.505 40 0 biogenic,in-vitro GFABRO C[NH+](C)CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccc(Cl)cc2)c1=O ZINC000004237116 560197645 /nfs/dbraw/zinc/19/76/45/560197645.db2.gz MCUCCIPNXPNTRZ-GOEBONIOSA-N 1 0 385.895 2.676 40 0 biogenic,in-vitro GFABRO Cc1ccccc1CNc1cc(-c2ccccn2)nc(NCCC[NH+](C)C)n1 ZINC000328985313 570210707 /nfs/dbraw/zinc/21/07/07/570210707.db2.gz HSRDJZALRWJMRO-UHFFFAOYSA-N 1 0 376.508 2.667 40 0 GFABRO C[N@@H+](Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@@H](O)COc1ccccc1 ZINC000585262552 570230919 /nfs/dbraw/zinc/23/09/19/570230919.db2.gz RRRFYJGXOQJPCX-HXUWFJFHSA-N 1 0 398.503 2.560 40 0 GFABRO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@@H+]2CC1(O)CCN(c2ccccc2F)CC1 ZINC000585284411 570253532 /nfs/dbraw/zinc/25/35/32/570253532.db2.gz RQCUQBLFFUQQPP-PMACEKPBSA-N 1 0 389.515 2.632 40 0 GFABRO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@H+](CC3(O)CCCCCC3)CC[C@@H]2O)c1 ZINC000585287580 570258975 /nfs/dbraw/zinc/25/89/75/570258975.db2.gz OUVKZKOHBGPPAO-GMAHTHKFSA-N 1 0 391.552 2.874 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(F)c1 ZINC000020801032 570281249 /nfs/dbraw/zinc/28/12/49/570281249.db2.gz GTSWXTBWDXGOKJ-MOPGFXCFSA-N 1 0 395.434 2.590 40 0 GFABRO CC[NH+](CC)CCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000022108619 570325901 /nfs/dbraw/zinc/32/59/01/570325901.db2.gz TUBPMCANSXAIRA-UHFFFAOYSA-N 1 0 388.464 2.951 40 0 GFABRO COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222997534 570436009 /nfs/dbraw/zinc/43/60/09/570436009.db2.gz JUHOUEKFSHQQOD-OALUTQOASA-N 1 0 379.489 2.886 40 0 GFABRO CC[NH+](CC)CCCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NC ZINC000004162021 570620598 /nfs/dbraw/zinc/62/05/98/570620598.db2.gz JZOOKSMZBHFBIT-UHFFFAOYSA-N 1 0 390.553 2.575 40 0 GFABRO Cc1nc(C)n(CCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000012195716 570623314 /nfs/dbraw/zinc/62/33/14/570623314.db2.gz VSHJTWUPSLFWIH-UHFFFAOYSA-N 1 0 375.904 2.577 40 0 GFABRO Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1F)[C@H](C[NH+](C)C)CO2 ZINC000012406646 570654010 /nfs/dbraw/zinc/65/40/10/570654010.db2.gz LCMBQPPTXNFUIF-MRXNPFEDSA-N 1 0 378.469 2.648 40 0 GFABRO O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000260913112 570713613 /nfs/dbraw/zinc/71/36/13/570713613.db2.gz ZVLSTRCBPUVZAW-PKOBYXMFSA-N 1 0 384.451 2.994 40 0 GFABRO COCC[N@H+](C)C[C@@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc3[nH]ccc3c1)C2 ZINC000247972167 570718274 /nfs/dbraw/zinc/71/82/74/570718274.db2.gz HSGRKVMRIIHTOE-VGSWGCGISA-N 1 0 385.508 2.757 40 0 GFABRO COc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000006247587 570739913 /nfs/dbraw/zinc/73/99/13/570739913.db2.gz OHYNBMMZLDWMFL-UHFFFAOYSA-N 1 0 384.505 2.574 40 0 GFABRO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[N@@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585104115 570930126 /nfs/dbraw/zinc/93/01/26/570930126.db2.gz LUMSSBWHAVZRPK-PMACEKPBSA-N 1 0 386.536 2.717 40 0 GFABRO C[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccc2)CC3)C1 ZINC000585103107 570931497 /nfs/dbraw/zinc/93/14/97/570931497.db2.gz DAUUMTSXCGXEHK-RTBURBONSA-N 1 0 392.565 2.978 40 0 GFABRO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CC4CCCC4)C[C@@H]23)cc1 ZINC000585106099 570935890 /nfs/dbraw/zinc/93/58/90/570935890.db2.gz LOCCGOYQAFBJSQ-RTWAWAEBSA-N 1 0 395.547 2.838 40 0 GFABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000585106200 570936472 /nfs/dbraw/zinc/93/64/72/570936472.db2.gz BXINPCAUDGUGAS-MSOLQXFVSA-N 1 0 387.499 2.587 40 0 GFABRO Cc1cn2c(ncc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)c2=O)s1 ZINC000019717144 571039233 /nfs/dbraw/zinc/03/92/33/571039233.db2.gz RLPLDIMVZJPNDU-UHFFFAOYSA-N 1 0 388.537 2.983 40 0 GFABRO COc1ccc2c(c1)c(CN1CCCC[C@H]1C[NH+]1CCCCC1)cn2CC(N)=O ZINC000019563247 210263923 /nfs/dbraw/zinc/26/39/23/210263923.db2.gz MRTXRBLBJOWZIM-IBGZPJMESA-N 1 0 398.551 2.976 40 0 GFABRO CCOc1ncccc1C(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019531462 210260184 /nfs/dbraw/zinc/26/01/84/210260184.db2.gz IQPIUYYYEMZBKE-SFHVURJKSA-N 1 0 381.480 2.626 40 0 GFABRO CCN(CC)S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019526471 210255863 /nfs/dbraw/zinc/25/58/63/210255863.db2.gz KNGLFYHIOWZZRJ-ZCNNSNEGSA-N 1 0 379.570 2.915 40 0 GFABRO C[C@@H]1CCc2onc(C(=O)N3CCC[C@H](c4ncc5c(n4)CC[N@@H+](C)C5)C3)c2C1 ZINC000019497121 210252522 /nfs/dbraw/zinc/25/25/22/210252522.db2.gz WTRUZKVVUMXTPP-CABCVRRESA-N 1 0 395.507 2.597 40 0 GFABRO O=C(c1cc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)no1)N1CCC(O)CC1 ZINC000019293828 210240345 /nfs/dbraw/zinc/24/03/45/210240345.db2.gz BRBFPDLDFPGFDH-MRXNPFEDSA-N 1 0 387.455 2.790 40 0 GFABRO CC(=O)N1CCc2nc([C@H]3CC[N@H+](CCCOc4ccc(C)cc4)C3)ncc2C1 ZINC000019211022 210231334 /nfs/dbraw/zinc/23/13/34/210231334.db2.gz GMPLNUKTHVXONJ-IBGZPJMESA-N 1 0 394.519 2.948 40 0 GFABRO Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)c(=O)[nH]1 ZINC000019134605 210227576 /nfs/dbraw/zinc/22/75/76/210227576.db2.gz DTHZJEHMSNGRNA-ZCNNSNEGSA-N 1 0 383.467 2.963 40 0 GFABRO NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000013267550 210056087 /nfs/dbraw/zinc/05/60/87/210056087.db2.gz ZDETWQYTVBUIMJ-GOSISDBHSA-N 1 0 394.519 2.916 40 0 GFABRO CCCCc1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)NCc2ccc(F)cc2)nn1 ZINC000008298724 291120052 /nfs/dbraw/zinc/12/00/52/291120052.db2.gz OFNIOSJUZRLBFG-WMQCIHAUSA-N 1 0 399.514 2.787 40 0 biogenic,in-vitro GFABRO CN(C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000008635704 291120578 /nfs/dbraw/zinc/12/05/78/291120578.db2.gz ACHDRDKJHOBRLK-IRFCIJBXSA-N 1 0 399.560 2.812 40 0 biogenic,in-vitro GFABRO COc1ccc(CC[NH2+]Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1OC ZINC000013998433 209191698 /nfs/dbraw/zinc/19/16/98/209191698.db2.gz XWEPIBZMLQFWQB-UHFFFAOYSA-N 1 0 382.416 2.606 40 0 GFABRO C[C@@H]([C@@H](O)c1ccccc1)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000066087824 212076654 /nfs/dbraw/zinc/07/66/54/212076654.db2.gz XVWDEHLVPDHPLZ-YVEFUNNKSA-N 1 0 378.270 2.837 40 0 GFABRO CC(=O)N1CCC2(CN(C(=O)C3CC[NH2+]CC3)c3ccc(Cl)cc32)CC1 ZINC000063528039 212070736 /nfs/dbraw/zinc/07/07/36/212070736.db2.gz NMMPFEWBOHVGIQ-UHFFFAOYSA-N 1 0 375.900 2.566 40 0 GFABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)n1 ZINC000257268991 212014395 /nfs/dbraw/zinc/01/43/95/212014395.db2.gz MOCRTALJEIBDIF-QGZVFWFLSA-N 1 0 382.512 2.757 40 0 GFABRO Cc1ncc(-c2ccc(C[C@@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)cn2)n1C ZINC000257248595 212010860 /nfs/dbraw/zinc/01/08/60/212010860.db2.gz JEJBEYFISGWSMC-IBGZPJMESA-N 1 0 395.551 2.913 40 0 GFABRO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(S(=O)(=O)N(C)C)C2)[nH+]1 ZINC000257217917 212006156 /nfs/dbraw/zinc/00/61/56/212006156.db2.gz DBCPVMFSVTYSHC-AWEZNQCLSA-N 1 0 378.473 2.868 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2ccc(O)cc2Cl)cc(C(F)(F)F)n1 ZINC000328993749 209155534 /nfs/dbraw/zinc/15/55/34/209155534.db2.gz JAZMFLZBWBDZBM-UHFFFAOYSA-N 1 0 389.809 2.805 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccn2)n1 ZINC000328995163 209155511 /nfs/dbraw/zinc/15/55/11/209155511.db2.gz JGXKWPGABNDWFB-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO Cc1noc(C)c1C[N@@H+]1CCc2cc(C(=O)N(C)C)c(NCC3CC3)nc2CC1 ZINC000096260568 211326226 /nfs/dbraw/zinc/32/62/26/211326226.db2.gz WSSGKVDDMFZCIR-UHFFFAOYSA-N 1 0 397.523 2.811 40 0 GFABRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](CNc4ccc(C)nn4)CO3)C2)s1 ZINC000096240541 211323412 /nfs/dbraw/zinc/32/34/12/211323412.db2.gz WTKUHAUXRWMBPI-FXAWDEMLSA-N 1 0 388.537 2.875 40 0 GFABRO O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075558 211299329 /nfs/dbraw/zinc/29/93/29/211299329.db2.gz FLIIGXYNECDLFU-VGOFRKELSA-N 1 0 383.492 2.511 40 0 GFABRO O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075557 211299041 /nfs/dbraw/zinc/29/90/41/211299041.db2.gz FLIIGXYNECDLFU-VGSWGCGISA-N 1 0 383.492 2.511 40 0 GFABRO O=C(c1cccc2cccnc21)N1CCC[C@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075571 211298429 /nfs/dbraw/zinc/29/84/29/211298429.db2.gz FSFLDAVGWKYQHZ-MBSDFSHPSA-N 1 0 395.503 2.578 40 0 GFABRO CCN1CC[C@]2(CN(C(C)=O)CC23CC[NH+](Cc2ccc(F)cc2)CC3)C1=O ZINC000096036500 211294699 /nfs/dbraw/zinc/29/46/99/211294699.db2.gz WKLXQKGAHMHYFN-QFIPXVFZSA-N 1 0 387.499 2.509 40 0 GFABRO C[N@@H+]1CCn2c(nnc2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)C1 ZINC000072372098 211103465 /nfs/dbraw/zinc/10/34/65/211103465.db2.gz GCQLIXQACJBJER-UHFFFAOYSA-N 1 0 392.507 2.544 40 0 GFABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccccc4Cl)C[C@H]32)c(OC)n1 ZINC000072392586 211109072 /nfs/dbraw/zinc/10/90/72/211109072.db2.gz NMGNZUCDNVQXJW-GQWAEJPESA-N 1 0 389.883 2.877 40 0 GFABRO C[N@@H+]1CCn2c(nnc2[C@H]2CCCCN2C(=O)c2cccc3cccnc32)C1 ZINC000072374019 211103840 /nfs/dbraw/zinc/10/38/40/211103840.db2.gz ZJVQGERTHICYFD-QGZVFWFLSA-N 1 0 376.464 2.639 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020636731 210354064 /nfs/dbraw/zinc/35/40/64/210354064.db2.gz PZPLRGQCASCTNS-RTBURBONSA-N 1 0 395.434 2.590 40 0 GFABRO Cc1nc([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763211 210295342 /nfs/dbraw/zinc/29/53/42/210295342.db2.gz UIHKILQLQVEVHI-SFHVURJKSA-N 1 0 382.512 2.524 40 0 GFABRO CC[NH+]1CCC(CC(=O)N2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)CC1 ZINC000019706057 210283858 /nfs/dbraw/zinc/28/38/58/210283858.db2.gz FBUSMJVARVWNHO-IBGZPJMESA-N 1 0 386.540 2.611 40 0 GFABRO O=C(C[N@@H+]1CCC[C@H]1Cn1cccn1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000019657787 210277055 /nfs/dbraw/zinc/27/70/55/210277055.db2.gz LZFUQKJXQGBODL-ZDUSSCGKSA-N 1 0 392.385 2.881 40 0 GFABRO COCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)no1 ZINC000019593539 210275646 /nfs/dbraw/zinc/27/56/46/210275646.db2.gz OFODWZCGLXLPJN-SFHVURJKSA-N 1 0 394.475 2.979 40 0 GFABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)n1 ZINC000019572825 210268920 /nfs/dbraw/zinc/26/89/20/210268920.db2.gz OHJCCJNDANRXCJ-ZWKOTPCHSA-N 1 0 396.539 2.635 40 0 GFABRO COc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1 ZINC000019590292 210273781 /nfs/dbraw/zinc/27/37/81/210273781.db2.gz BWEZXMVFJAXVPZ-HXUWFJFHSA-N 1 0 380.492 2.769 40 0 GFABRO COc1ccc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@@H+](C)C4)[nH]c2c1 ZINC000019590548 210273240 /nfs/dbraw/zinc/27/32/40/210273240.db2.gz BQIGQRSISSGSME-HXUWFJFHSA-N 1 0 391.475 2.932 40 0 GFABRO Cc1nc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2nnsc2C)CC3)cs1 ZINC000585099788 565104606 /nfs/dbraw/zinc/10/46/06/565104606.db2.gz ZIYPLPWONBZPPB-UHFFFAOYSA-N 1 0 377.539 2.740 40 0 GFABRO CCOCCOc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc(OC)c2)cc1 ZINC000585269819 570238911 /nfs/dbraw/zinc/23/89/11/570238911.db2.gz LHLUXNDYZOCXJO-LJQANCHMSA-N 1 0 389.492 2.982 40 0 GFABRO Fc1ccccc1CN1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381859 570352781 /nfs/dbraw/zinc/35/27/81/570352781.db2.gz RXOQURTUSHGHLQ-OAQYLSRUSA-N 1 0 381.495 2.597 40 0 biogenic,in-vitro GFABRO OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223607247 570474176 /nfs/dbraw/zinc/47/41/76/570474176.db2.gz ALMUQAHYZXNWPE-MOPGFXCFSA-N 1 0 379.489 2.622 40 0 GFABRO CSc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1NC(=O)C(C)C ZINC000225463049 570577155 /nfs/dbraw/zinc/57/71/55/570577155.db2.gz MKDRUDQHVSANMB-UHFFFAOYSA-N 1 0 399.582 2.767 40 0 GFABRO COc1c2c(cc3c1[C@@H](C[C@H](O)[C@@H]1CCOC(C)(C)C1)[N@H+](C)CC3)OCO2 ZINC000004061874 570614251 /nfs/dbraw/zinc/61/42/51/570614251.db2.gz TWOLFEWIKVSGFO-OAGGEKHMSA-N 1 0 377.481 2.909 40 0 GFABRO C[NH+](C)[C@@H](CNC(=O)c1cccc(N2CCCC2=O)c1)c1ccc2c(c1)OCO2 ZINC000012203814 570625352 /nfs/dbraw/zinc/62/53/52/570625352.db2.gz VKXOYWDROLEZQN-SFHVURJKSA-N 1 0 395.459 2.575 40 0 GFABRO COCCc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)cn1 ZINC000012293162 570633658 /nfs/dbraw/zinc/63/36/58/570633658.db2.gz WYCWIFRBVXJXAA-VSOVRNOCSA-N 1 0 383.492 2.689 40 0 GFABRO CC(C)(C)OC(=O)N1CCC([C@H]([NH3+])CNC(=O)OCc2ccccc2)CC1 ZINC000409433435 570775562 /nfs/dbraw/zinc/77/55/62/570775562.db2.gz RQWWMTQCKQYEOG-QGZVFWFLSA-N 1 0 377.485 2.887 40 0 GFABRO C[NH+](C)CCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000010111451 570781943 /nfs/dbraw/zinc/78/19/43/570781943.db2.gz WAKRTTXCBGPQGH-HXUWFJFHSA-N 1 0 387.505 2.735 40 0 GFABRO CCOC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000013566281 570850236 /nfs/dbraw/zinc/85/02/36/570850236.db2.gz CFUBRAONLUWDQV-AUUYWEPGSA-N 1 0 387.480 2.598 40 0 GFABRO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccco2)c2ccc(Cl)cc2)CC1 ZINC000019528003 570928338 /nfs/dbraw/zinc/92/83/38/570928338.db2.gz XBJXIWXMCKIULH-GOSISDBHSA-N 1 0 386.887 2.695 40 0 GFABRO C[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccc2)CC3)C1 ZINC000585103104 570931495 /nfs/dbraw/zinc/93/14/95/570931495.db2.gz DAUUMTSXCGXEHK-OALUTQOASA-N 1 0 392.565 2.978 40 0 GFABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC000585106244 570936300 /nfs/dbraw/zinc/93/63/00/570936300.db2.gz ZATBMMSMDQQSQN-OLMNPRSZSA-N 1 0 387.524 2.595 40 0 GFABRO CCN1CCN(C(=O)C[NH2+]C)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183560 571000626 /nfs/dbraw/zinc/00/06/26/571000626.db2.gz AYLFEHVRCIOULL-IBGZPJMESA-N 1 0 397.494 2.562 40 0 GFABRO CCN1CCN(C(=O)CC[NH3+])C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183567 571000766 /nfs/dbraw/zinc/00/07/66/571000766.db2.gz BNXBRJFRCPFZEZ-LJQANCHMSA-N 1 0 397.494 2.691 40 0 GFABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)n1 ZINC000019572831 210268016 /nfs/dbraw/zinc/26/80/16/210268016.db2.gz OHJCCJNDANRXCJ-ROUUACIJSA-N 1 0 396.539 2.635 40 0 GFABRO COc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1C ZINC000019571110 210267635 /nfs/dbraw/zinc/26/76/35/210267635.db2.gz HFJIZPQZQXXZQO-GOSISDBHSA-N 1 0 394.519 2.730 40 0 GFABRO Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c(C)c1C ZINC000019556177 210262400 /nfs/dbraw/zinc/26/24/00/210262400.db2.gz RKZNSZRKKUNESD-KDOFPFPSSA-N 1 0 396.539 2.601 40 0 GFABRO COc1ccc(OC)c(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)c1 ZINC000019551697 210260828 /nfs/dbraw/zinc/26/08/28/210260828.db2.gz NKZMHUVVYBZBMI-PCCBWWKXSA-N 1 0 382.504 2.566 40 0 GFABRO CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019499441 210254217 /nfs/dbraw/zinc/25/42/17/210254217.db2.gz UCKNEPMFCDSGBT-MSOLQXFVSA-N 1 0 384.455 2.783 40 0 GFABRO O=C(c1ccnc(N2CCOCC2)c1)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019403680 210248986 /nfs/dbraw/zinc/24/89/86/210248986.db2.gz AUGZJHDIXDSRCY-FQEVSTJZSA-N 1 0 386.540 2.789 40 0 GFABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21)c1csc2c1CCCC2 ZINC000019346784 210244076 /nfs/dbraw/zinc/24/40/76/210244076.db2.gz AWQLPLDGWNDDEI-AWEZNQCLSA-N 1 0 395.532 2.879 40 0 GFABRO Cn1nc(-c2cccnc2)cc1C[NH+]1CCC(NC(=O)[C@H]2CC=CCC2)CC1 ZINC000019288962 210237302 /nfs/dbraw/zinc/23/73/02/210237302.db2.gz ZSMCXDUSUGHLTC-KRWDZBQOSA-N 1 0 379.508 2.919 40 0 GFABRO Cc1cccc(CC(=O)N2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)c1 ZINC000019234613 210233815 /nfs/dbraw/zinc/23/38/15/210233815.db2.gz FKHFDKLHRWPEJB-IBGZPJMESA-N 1 0 391.519 2.860 40 0 GFABRO Cc1ccc([C@H](C)C(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3cccnc32)cc1 ZINC000019136360 210229135 /nfs/dbraw/zinc/22/91/35/210229135.db2.gz ATGDIECVLGBIHI-FUHWJXTLSA-N 1 0 377.492 2.737 40 0 GFABRO C[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C)N1CCCC1=O ZINC000019079553 210223105 /nfs/dbraw/zinc/22/31/05/210223105.db2.gz ZILLYOVZSCCCKW-KHHDVDEJSA-N 1 0 383.536 2.866 40 0 GFABRO O=C(C1CCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019014885 210221990 /nfs/dbraw/zinc/22/19/90/210221990.db2.gz XFNYGJLWEDYEGC-INIZCTEOSA-N 1 0 384.524 2.989 40 0 GFABRO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306140320 212053826 /nfs/dbraw/zinc/05/38/26/212053826.db2.gz UPRKFLVGQDOYPL-GJZGRUSLSA-N 1 0 385.899 2.518 40 0 GFABRO O=C(NCc1cccnc1)c1ncc2n1C[C@@H]1C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306129124 212047600 /nfs/dbraw/zinc/04/76/00/212047600.db2.gz HVCBCEUSPKROKP-PKOBYXMFSA-N 1 0 391.450 2.576 40 0 GFABRO CN1CC2(CC[NH+](Cc3ccncc3)CC2)c2nc(C(C)(C)C)ncc2C1=O ZINC000306124716 212045175 /nfs/dbraw/zinc/04/51/75/212045175.db2.gz BXNJFQSBASSMIX-UHFFFAOYSA-N 1 0 379.508 2.789 40 0 GFABRO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CC[N@H+](Cc1ccccc1)C2 ZINC000257302053 212020524 /nfs/dbraw/zinc/02/05/24/212020524.db2.gz SBEVKOGLFZRWRB-WXFUMESZSA-N 1 0 391.515 2.987 40 0 GFABRO Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)n1 ZINC000257268990 212013732 /nfs/dbraw/zinc/01/37/32/212013732.db2.gz MOCRTALJEIBDIF-KRWDZBQOSA-N 1 0 382.512 2.757 40 0 GFABRO C[NH+](C)CCNc1cc(N2CCc3ccc(Br)cc3C2)ncn1 ZINC000329064645 209159598 /nfs/dbraw/zinc/15/95/98/209159598.db2.gz XKOHVEJRSZBWIZ-UHFFFAOYSA-N 1 0 376.302 2.775 40 0 GFABRO CCCN1CC[N@H+](CCC(N)=O)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000257244122 212008864 /nfs/dbraw/zinc/00/88/64/212008864.db2.gz IJYIFPUDXQLDNS-JOCHJYFZSA-N 1 0 393.531 2.942 40 0 GFABRO Cc1cnn(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)c1 ZINC000257214597 212004666 /nfs/dbraw/zinc/00/46/66/212004666.db2.gz CMPFOOKSKXEEMC-HVJVJISESA-N 1 0 378.520 2.934 40 0 GFABRO COc1ccc(C(=O)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC000096239942 211323380 /nfs/dbraw/zinc/32/33/80/211323380.db2.gz ODBWPPYQFCJJSP-UHFFFAOYSA-N 1 0 395.503 2.845 40 0 GFABRO COc1cccc(C[NH+]2CCC3(CCN(S(=O)(=O)C4CC4)CC3)CC2)c1 ZINC000096047251 211296027 /nfs/dbraw/zinc/29/60/27/211296027.db2.gz XHSYEJBJVSGJLU-UHFFFAOYSA-N 1 0 378.538 2.865 40 0 GFABRO O=C(C[NH+]1CCC(c2cccc(Cc3ccccc3F)n2)CC1)N1CCOCC1 ZINC000072348731 211095780 /nfs/dbraw/zinc/09/57/80/211095780.db2.gz DLQNAGHSBNWZDS-UHFFFAOYSA-N 1 0 397.494 2.850 40 0 GFABRO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000030325354 210555034 /nfs/dbraw/zinc/55/50/34/210555034.db2.gz XGSPHHPZPUDFNM-UHFFFAOYSA-N 1 0 378.469 2.909 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000020636708 210353629 /nfs/dbraw/zinc/35/36/29/210353629.db2.gz PGVANTOMROFXNR-WOJBJXKFSA-N 1 0 391.471 2.760 40 0 GFABRO Cc1ccc(O[C@H](C)C(=O)N(C)Cc2cc(C3CC[NH2+]CC3)nn2C)cc1C ZINC000019710189 210286395 /nfs/dbraw/zinc/28/63/95/210286395.db2.gz GDTVRJWVDSWKKC-QGZVFWFLSA-N 1 0 384.524 2.930 40 0 GFABRO Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3C3CC[NH+](C)CC3)C2)c1 ZINC000019711284 210285388 /nfs/dbraw/zinc/28/53/88/210285388.db2.gz HLLMBIBIWYYOSU-UHFFFAOYSA-N 1 0 397.523 2.596 40 0 GFABRO CNC(=O)c1cn(C)nc1CC1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000019756676 210293004 /nfs/dbraw/zinc/29/30/04/210293004.db2.gz CXVMZLADUCBKSJ-UHFFFAOYSA-N 1 0 377.492 2.783 40 0 GFABRO C[N@@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc(C4CCCCC4)no2)C3)C1 ZINC000019710993 210286918 /nfs/dbraw/zinc/28/69/18/210286918.db2.gz ILIXUBPXJUUBQH-INIZCTEOSA-N 1 0 398.511 2.779 40 0 GFABRO Cc1oc2c(c1C(=O)N1CCc3nnc([C@@H]4CCC[N@@H+](C)C4)n3CC1)CCCC2 ZINC000019709263 210283382 /nfs/dbraw/zinc/28/33/82/210283382.db2.gz YAECNBCJEXHQJC-MRXNPFEDSA-N 1 0 397.523 2.566 40 0 GFABRO Cc1cc2cc(C(=O)N3CCc4nnc([C@@H]5CCC[N@@H+](C)C5)n4CC3)ccc2o1 ZINC000019709261 210283219 /nfs/dbraw/zinc/28/32/19/210283219.db2.gz ZNQKIUGOGPXQRT-QGZVFWFLSA-N 1 0 393.491 2.840 40 0 GFABRO COc1ccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4N2C(=O)C[NH+](C)C)cc1 ZINC000019581735 210269825 /nfs/dbraw/zinc/26/98/25/210269825.db2.gz SMXABMFKUMWJRQ-HNAYVOBHSA-N 1 0 391.475 2.555 40 0 GFABRO COc1ccccc1C(=O)N1CC[C@H](c2nn(CC[NH+](C)C)c3ncccc23)C1 ZINC000019583265 210269407 /nfs/dbraw/zinc/26/94/07/210269407.db2.gz QBWKIRRXOWIIEI-INIZCTEOSA-N 1 0 393.491 2.631 40 0 GFABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc(C4CC[NH+](C)CC4)ncc3C2)n1 ZINC000019572987 210268863 /nfs/dbraw/zinc/26/88/63/210268863.db2.gz MNFAPVAXLSVACZ-KRWDZBQOSA-N 1 0 396.539 2.635 40 0 GFABRO Cc1cc(=O)oc2cc(OCC(=O)N3C[C@@H]4C[NH2+]C[C@H]4c4ccccc43)ccc12 ZINC000096157023 136184644 /nfs/dbraw/zinc/18/46/44/136184644.db2.gz RYCBEPISICHVOH-HNAYVOBHSA-N 1 0 390.439 2.830 40 0 GFABRO COc1cccc([C@H]2c3cc4c(cc3O[C@H]([NH2+]CCO)[C@H]2C)OCO4)c1OC ZINC000073257553 222269134 /nfs/dbraw/zinc/26/91/34/222269134.db2.gz CKUCWPTUZQKDGP-DRAMBROLSA-N 1 0 387.432 2.501 40 0 GFABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000408708284 529102611 /nfs/dbraw/zinc/10/26/11/529102611.db2.gz XGKBSPAIRGXWMN-FQEVSTJZSA-N 1 0 379.504 2.535 40 0 GFABRO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@@H](C)CO)[nH+]1 ZINC000329010113 563469756 /nfs/dbraw/zinc/46/97/56/563469756.db2.gz LZCVGQRPGHLYGX-LBPRGKRZSA-N 1 0 391.313 3.157 40 0 GFABRO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@@H](C)CO)[nH+]1 ZINC000329046466 563471695 /nfs/dbraw/zinc/47/16/95/563471695.db2.gz UAVRTSOJSWWDIA-LBPRGKRZSA-N 1 0 391.313 3.157 40 0 GFABRO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000035291338 570459591 /nfs/dbraw/zinc/45/95/91/570459591.db2.gz WMYOVJLQFZLTKH-HXUWFJFHSA-N 1 0 398.461 2.727 40 0 GFABRO C[N@@H+](Cc1ccc(OCCN2CCCC2=O)cc1)C[C@@H](O)COc1ccccc1 ZINC000257206776 570486954 /nfs/dbraw/zinc/48/69/54/570486954.db2.gz BEVUXJGFJVJNRZ-HXUWFJFHSA-N 1 0 398.503 2.560 40 0 GFABRO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1OC ZINC000031075442 570502769 /nfs/dbraw/zinc/50/27/69/570502769.db2.gz IEKIKUZZWFNNGL-UHFFFAOYSA-N 1 0 390.505 2.778 40 0 GFABRO Cc1cc(C(=O)NCCC[NH+](C)C)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224196762 570503251 /nfs/dbraw/zinc/50/32/51/570503251.db2.gz ZYJMGOOFPDXAKY-UHFFFAOYSA-N 1 0 389.521 2.502 40 0 GFABRO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+]CCN2C(=O)OCc1ccccc1 ZINC000091302680 570518707 /nfs/dbraw/zinc/51/87/07/570518707.db2.gz ATDGPGLBEKGNMQ-UHFFFAOYSA-N 1 0 389.496 2.998 40 0 GFABRO C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)c3cc(C4CC4)on3)C2)OC1 ZINC000575404311 570520567 /nfs/dbraw/zinc/52/05/67/570520567.db2.gz LNBWNNCORMCSCB-QGZVFWFLSA-N 1 0 396.491 2.700 40 0 GFABRO CC(C)[N@H+]1CCc2nc3cc(C(=O)NCC4CCCCC4)ccc3c(=O)n2CC1 ZINC000012187093 570621326 /nfs/dbraw/zinc/62/13/26/570621326.db2.gz RLQYLBBLOGYQHM-UHFFFAOYSA-N 1 0 396.535 2.973 40 0 GFABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000012205173 570626056 /nfs/dbraw/zinc/62/60/56/570626056.db2.gz LGHFYKHEWJFKKA-ZIAGYGMSSA-N 1 0 379.888 2.732 40 0 GFABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@H]1CCCO1 ZINC000260921131 570714584 /nfs/dbraw/zinc/71/45/84/570714584.db2.gz OMIFSMXLCBXSCY-NSISKUIASA-N 1 0 399.564 2.596 40 0 GFABRO CCCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 ZINC000019502123 570927201 /nfs/dbraw/zinc/92/72/01/570927201.db2.gz GMHZTUATHNAEMF-RTBURBONSA-N 1 0 376.549 2.644 40 0 GFABRO C[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccc2)CC3)C1 ZINC000585103105 570931490 /nfs/dbraw/zinc/93/14/90/570931490.db2.gz DAUUMTSXCGXEHK-RBUKOAKNSA-N 1 0 392.565 2.978 40 0 GFABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(C)c2)CC1 ZINC000585106045 570935957 /nfs/dbraw/zinc/93/59/57/570935957.db2.gz HFYLIDTYZYMKKR-DBVUQKKJSA-N 1 0 383.536 2.694 40 0 GFABRO Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]21 ZINC000585109787 570938528 /nfs/dbraw/zinc/93/85/28/570938528.db2.gz UKXPCKQSFJVYLS-JENIJYKNSA-N 1 0 386.446 2.966 40 0 GFABRO COCc1ccccc1-c1cnc2n1CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC000585111122 570944935 /nfs/dbraw/zinc/94/49/35/570944935.db2.gz FHEFLKFZQNTLGJ-LJQANCHMSA-N 1 0 382.508 2.566 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2c(F)cccc2F)cc(-c2ccncc2)n1 ZINC000329063327 231047660 /nfs/dbraw/zinc/04/76/60/231047660.db2.gz XCQYYFYSSKDVSX-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)n1 ZINC000329030308 212094103 /nfs/dbraw/zinc/09/41/03/212094103.db2.gz QCRIXJNMCFJYIX-UHFFFAOYSA-N 1 0 394.292 2.817 40 0 GFABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1)N1CCOCC1 ZINC000008623555 221047796 /nfs/dbraw/zinc/04/77/96/221047796.db2.gz GVTRMVUHFLLYIZ-OALUTQOASA-N 1 0 389.540 2.815 40 0 biogenic,in-vitro GFABRO O=C(COc1ncnc2ccccc21)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000012201692 221166696 /nfs/dbraw/zinc/16/66/96/221166696.db2.gz BWEVMVURGYWXBR-UHFFFAOYSA-N 1 0 394.450 2.929 40 0 GFABRO COc1cccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019079276 221394930 /nfs/dbraw/zinc/39/49/30/221394930.db2.gz RLWPNOPZVHVDIG-YWZLYKJASA-N 1 0 396.491 2.652 40 0 GFABRO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019078781 221395628 /nfs/dbraw/zinc/39/56/28/221395628.db2.gz YJCLPKUGIOVFLJ-LIRRHRJNSA-N 1 0 384.455 2.735 40 0 GFABRO CC(C)(CN1CCOCC1)C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 ZINC000019084964 221396928 /nfs/dbraw/zinc/39/69/28/221396928.db2.gz FXIIEILIRAJEMW-RLAPIPATSA-N 1 0 376.516 2.999 40 0 GFABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)c2cccnc21 ZINC000019293366 221406838 /nfs/dbraw/zinc/40/68/38/221406838.db2.gz JCQMGMNSAZXZHI-MRXNPFEDSA-N 1 0 397.910 2.992 40 0 GFABRO O=C([C@H]1CC(=O)N(Cc2cccnc2)C1)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019338783 221407466 /nfs/dbraw/zinc/40/74/66/221407466.db2.gz SPQMOLBGUTZBLL-LEWJYISDSA-N 1 0 398.551 2.687 40 0 GFABRO COc1ccc(CN(C)Cc2nc([C@@H]3CCC[NH2+]C3)cc(N(C)C)n2)c(OC)c1 ZINC000019709992 221444243 /nfs/dbraw/zinc/44/42/43/221444243.db2.gz DQATUMMZTYSZKI-MRXNPFEDSA-N 1 0 399.539 2.659 40 0 GFABRO COc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000109423603 136191971 /nfs/dbraw/zinc/19/19/71/136191971.db2.gz RFAPQVMQPDIXNP-UHFFFAOYSA-N 1 0 395.912 2.901 40 0 GFABRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2)CC1 ZINC000219249635 136204165 /nfs/dbraw/zinc/20/41/65/136204165.db2.gz CDBAJJSGTJBCQM-UHFFFAOYSA-N 1 0 394.519 2.523 40 0 GFABRO O=C(NC1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1)C1CCCCC1 ZINC000035315483 221817533 /nfs/dbraw/zinc/81/75/33/221817533.db2.gz HTUHMJZUUQVEIP-UHFFFAOYSA-N 1 0 397.519 2.834 40 0 GFABRO CC(=O)Nc1ccc(CNC2(Cc3cc(C[NH+]4CCCCC4)on3)COC2)cc1 ZINC000072321964 222225812 /nfs/dbraw/zinc/22/58/12/222225812.db2.gz LLWJSMXJRWETTP-UHFFFAOYSA-N 1 0 398.507 2.720 40 0 biogenic,in-vitro GFABRO C[NH+]1CCC(CNC(=O)[C@@]2(Cc3cc(-c4ccccc4)no3)CCCO2)CC1 ZINC000072371181 222243069 /nfs/dbraw/zinc/24/30/69/222243069.db2.gz BGJSZKIGWNYAKK-QFIPXVFZSA-N 1 0 383.492 2.891 40 0 GFABRO COCCOc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)ccc1OC ZINC000072373025 222243530 /nfs/dbraw/zinc/24/35/30/222243530.db2.gz BYYOUFNRUSEXSY-DLBZAZTESA-N 1 0 399.491 2.656 40 0 GFABRO CCN1CC2(CC[NH+](Cc3ccoc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037141 222372748 /nfs/dbraw/zinc/37/27/48/222372748.db2.gz QTLZQLOCIAMJTM-UHFFFAOYSA-N 1 0 390.505 2.965 40 0 GFABRO COCC[N@H+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096075670 222377607 /nfs/dbraw/zinc/37/76/07/222377607.db2.gz ICOWWPUUQLPLAF-WZONZLPQSA-N 1 0 397.519 2.824 40 0 GFABRO COCC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228767 222399691 /nfs/dbraw/zinc/39/96/91/222399691.db2.gz WNEAUELQJMHAMW-QHCPKHFHSA-N 1 0 397.519 2.678 40 0 GFABRO COCC[N@@H+]1CCC[C@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000019766357 570217877 /nfs/dbraw/zinc/21/78/77/570217877.db2.gz ZLHHXOZHHCXDQS-KRWDZBQOSA-N 1 0 386.471 2.680 40 0 GFABRO COc1cccc(C(=O)N2CCC3(CC2)COCC[N@H+](Cc2cccn2C)C3)c1 ZINC000096239873 570222200 /nfs/dbraw/zinc/22/22/00/570222200.db2.gz RUUOGTABHOVWTP-UHFFFAOYSA-N 1 0 397.519 2.789 40 0 GFABRO CN(C)C(=O)C[NH+]1CCC2(CC1)CN(C(=O)NC1CCCC1)Cc1ccccc12 ZINC000096242446 570222930 /nfs/dbraw/zinc/22/29/30/570222930.db2.gz YZPJMOQPMQOZIU-UHFFFAOYSA-N 1 0 398.551 2.576 40 0 GFABRO O=C(C1CCOCC1)N1Cc2ccccc2C2(CC[NH+](C3CCOCC3)CC2)C1 ZINC000096242484 570222941 /nfs/dbraw/zinc/22/29/41/570222941.db2.gz RFFLDZMRLZNSPF-UHFFFAOYSA-N 1 0 398.547 2.968 40 0 GFABRO COc1cccc(C[N@@H+]2CCc3cc(C(=O)NC(C)C)c(N(C)C)nc3CC2)c1 ZINC000096260344 570225404 /nfs/dbraw/zinc/22/54/04/570225404.db2.gz QPIVCMXPQCZWFM-UHFFFAOYSA-N 1 0 396.535 2.895 40 0 GFABRO COc1ccc(C[N@@H+]2CCc3cc(C(=O)NC(C)C)c(N(C)C)nc3CC2)cc1 ZINC000096260336 570225459 /nfs/dbraw/zinc/22/54/59/570225459.db2.gz HWTNTIFUSGPMSM-UHFFFAOYSA-N 1 0 396.535 2.895 40 0 GFABRO COc1cccc(NC(=O)[C@@H]2Cn3ccnc3C3(CC[NH+](CC(C)C)CC3)O2)c1 ZINC000096262967 570226591 /nfs/dbraw/zinc/22/65/91/570226591.db2.gz IAWVFPSNXITHAN-IBGZPJMESA-N 1 0 398.507 2.876 40 0 GFABRO COc1cccc(-c2nc3c(s2)N(C(C)C)[C@@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096264492 570226985 /nfs/dbraw/zinc/22/69/85/570226985.db2.gz MQPZZFFLOOXGST-QGZVFWFLSA-N 1 0 388.537 2.636 40 0 GFABRO Cc1cnc(Nc2cc([C@H]3CCN(C(=O)/C=C/C[NH+](C)C)C3)nc(C)n2)s1 ZINC000585292348 570261559 /nfs/dbraw/zinc/26/15/59/570261559.db2.gz KWYROWXARLQQSF-NFAHFFEMSA-N 1 0 386.525 2.727 40 0 GFABRO CC(C)(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3ccc(F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382083 570353066 /nfs/dbraw/zinc/35/30/66/570353066.db2.gz CQQTWSBENNWYNN-UAFMIMERSA-N 1 0 387.499 2.603 40 0 biogenic,in-vitro GFABRO CC(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3ccc(Cl)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382653 570353861 /nfs/dbraw/zinc/35/38/61/570353861.db2.gz XHQKOTDZMACBQD-UAFMIMERSA-N 1 0 389.927 2.944 40 0 biogenic,in-vitro GFABRO COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+](C)C)cc1 ZINC000225349266 570566167 /nfs/dbraw/zinc/56/61/67/570566167.db2.gz WPWUFFRWJCUBII-JXAWBTAJSA-N 1 0 387.505 2.596 40 0 GFABRO CCc1nn2c(ncc3c2ccn(CC[NH+](C)C)c3=O)c1-c1ccc(F)cc1 ZINC000040396722 570601210 /nfs/dbraw/zinc/60/12/10/570601210.db2.gz JEZJOGTZYWPUGH-UHFFFAOYSA-N 1 0 379.439 2.974 40 0 GFABRO C[NH+](C)CCOc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)cn1 ZINC000225921922 570633432 /nfs/dbraw/zinc/63/34/32/570633432.db2.gz JWJMYRNRZREFPW-UHFFFAOYSA-N 1 0 391.493 2.774 40 0 GFABRO Cc1ccc2c(c1)CN(S(=O)(=O)c1cccc(F)c1)[C@H](C[NH+](C)C)CO2 ZINC000012406661 570653880 /nfs/dbraw/zinc/65/38/80/570653880.db2.gz LISXOTHQHKVYLZ-QGZVFWFLSA-N 1 0 378.469 2.648 40 0 GFABRO NC(=O)c1sc2ncccc2c1[C@H]1CCCN(C(=O)C[NH+]2CCCCC2)C1 ZINC000257204217 570760753 /nfs/dbraw/zinc/76/07/53/570760753.db2.gz ATOOHGJXDMABLV-AWEZNQCLSA-N 1 0 386.521 2.587 40 0 GFABRO CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)C[N@@H+](Cc3ccc(C)nc3)[C@@H]2C1 ZINC000257241753 570768400 /nfs/dbraw/zinc/76/84/00/570768400.db2.gz HZMACUWIFKTSND-AFXVXQJMSA-N 1 0 379.504 2.587 40 0 GFABRO Cc1cncc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCCCC2)c1 ZINC000257283748 570775526 /nfs/dbraw/zinc/77/55/26/570775526.db2.gz OZSOZWOQUNJUAJ-CZYKHXBRSA-N 1 0 395.503 2.555 40 0 GFABRO Cc1cc(Nc2cc(C3CCN(C(=O)C4CC[NH+](C)CC4)CC3)nc(C)n2)n[nH]1 ZINC000257302598 570778433 /nfs/dbraw/zinc/77/84/33/570778433.db2.gz SDNBTDRRUCTUJI-UHFFFAOYSA-N 1 0 397.527 2.608 40 0 GFABRO CCc1nccn1-c1cccc([C@H]2CCCN2CC(=O)NCc2ccccn2)n1 ZINC000257321983 570781464 /nfs/dbraw/zinc/78/14/64/570781464.db2.gz WEDUJNOCEOSWOW-LJQANCHMSA-N 1 0 390.491 2.678 40 0 GFABRO Cc1cc(Nc2ccccn2)cc(C2CCN(S(=O)(=O)N(C)C)CC2)[nH+]1 ZINC000257327665 570782367 /nfs/dbraw/zinc/78/23/67/570782367.db2.gz XCFOSYONPRVJHS-UHFFFAOYSA-N 1 0 375.498 2.514 40 0 GFABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)C3CCOCC3)CC2)nn1C ZINC000257238065 570892765 /nfs/dbraw/zinc/89/27/65/570892765.db2.gz HJLGHZBBCJXSRH-IYARVYRRSA-N 1 0 376.545 2.783 40 0 GFABRO O=C(N[C@H](Cc1c[nH]cn1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000006628859 570905571 /nfs/dbraw/zinc/90/55/71/570905571.db2.gz NSUWDHSSVSZBJZ-LJQANCHMSA-N 1 0 379.416 2.991 40 0 GFABRO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000585109588 570937944 /nfs/dbraw/zinc/93/79/44/570937944.db2.gz CIERNOPZVXRUDA-QNWVGRARSA-N 1 0 398.478 2.875 40 0 GFABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccco3)C[C@@H]1C2 ZINC000306131085 570939363 /nfs/dbraw/zinc/93/93/63/570939363.db2.gz JWDBWYNCCMBXFT-KBPBESRZSA-N 1 0 381.411 2.567 40 0 GFABRO Cc1ccc(C[N@@H+]2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)s1 ZINC000306131299 570939916 /nfs/dbraw/zinc/93/99/16/570939916.db2.gz KAPKLKYGNPXTRN-MRXNPFEDSA-N 1 0 383.521 2.925 40 0 GFABRO Cc1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3CN(Cc4ccccc4)CC[C@@H]32)c1 ZINC000306138998 570943850 /nfs/dbraw/zinc/94/38/50/570943850.db2.gz SMPVPGAHMBZFIW-LEWJYISDSA-N 1 0 398.528 2.509 40 0 GFABRO COC(=O)N1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000306142385 570945710 /nfs/dbraw/zinc/94/57/10/570945710.db2.gz WYDPRFZCBGFLAJ-UHFFFAOYSA-N 1 0 397.435 2.704 40 0 GFABRO Cc1[nH]c2ccc(C)cc2c1C[NH+]1CCC(O)(Cn2nc(C)ccc2=O)CC1 ZINC000019220101 570962690 /nfs/dbraw/zinc/96/26/90/570962690.db2.gz RILBQPZCYZMTEF-UHFFFAOYSA-N 1 0 380.492 2.677 40 0 GFABRO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@H+](Cc1c(F)cccc1Cl)CC2 ZINC000019292592 570972542 /nfs/dbraw/zinc/97/25/42/570972542.db2.gz KTLAMBKMWSEFCV-UHFFFAOYSA-N 1 0 385.830 2.620 40 0 GFABRO O=S(=O)(c1ccc(Cl)cc1)N1CCCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019336120 570976100 /nfs/dbraw/zinc/97/61/00/570976100.db2.gz IPMXYYILRWDOAK-QGZVFWFLSA-N 1 0 392.912 2.692 40 0 GFABRO CC(C)C[N@@H+]1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019447197 570984246 /nfs/dbraw/zinc/98/42/46/570984246.db2.gz OVIIRBADKTYCMM-IBGZPJMESA-N 1 0 384.528 2.726 40 0 GFABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cccc(F)c3)[nH]c(=O)c2C1 ZINC000019448293 570985142 /nfs/dbraw/zinc/98/51/42/570985142.db2.gz AOSTXDPQKFNGCS-SFHVURJKSA-N 1 0 384.455 2.653 40 0 GFABRO CC(C)Oc1cccc(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)c1 ZINC000019450901 570985566 /nfs/dbraw/zinc/98/55/66/570985566.db2.gz HJMWHFHDWLGBIC-UHFFFAOYSA-N 1 0 391.475 2.615 40 0 GFABRO CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019499409 570992013 /nfs/dbraw/zinc/99/20/13/570992013.db2.gz SJERYABBIIQIHU-PMACEKPBSA-N 1 0 396.491 2.652 40 0 GFABRO COc1ccc(F)c(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1 ZINC000019551435 571000866 /nfs/dbraw/zinc/00/08/66/571000866.db2.gz GERHLSAGDLBMHT-HNNXBMFYSA-N 1 0 380.423 2.969 40 0 GFABRO COc1ccc(OC)c(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 ZINC000019551442 571000889 /nfs/dbraw/zinc/00/08/89/571000889.db2.gz MESQWJMDPUOWOV-MRXNPFEDSA-N 1 0 392.459 2.839 40 0 GFABRO COc1ccc(OC)c(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 ZINC000019551448 571001618 /nfs/dbraw/zinc/00/16/18/571001618.db2.gz BDTSEIARTYPTDR-INIZCTEOSA-N 1 0 392.459 2.839 40 0 GFABRO COc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)c(OC)c1 ZINC000019552505 571002049 /nfs/dbraw/zinc/00/20/49/571002049.db2.gz WIAMGNWXPQEGPC-PCCBWWKXSA-N 1 0 382.504 2.566 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1OC ZINC000019560832 571005412 /nfs/dbraw/zinc/00/54/12/571005412.db2.gz YQLRXRUOAUIFNF-QGZVFWFLSA-N 1 0 392.459 2.839 40 0 GFABRO COc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2Cc2ccccc2)cc1OC ZINC000019561202 571005941 /nfs/dbraw/zinc/00/59/41/571005941.db2.gz RUDDOYFGAWEYDH-QHAWAJNXSA-N 1 0 382.504 2.566 40 0 GFABRO COc1cccc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4ccccn4)n3)C2)c1OC ZINC000019567914 571008780 /nfs/dbraw/zinc/00/87/80/571008780.db2.gz JESSVTLLUJSAGT-MRXNPFEDSA-N 1 0 394.479 2.665 40 0 GFABRO Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)n1 ZINC000019572828 571010589 /nfs/dbraw/zinc/01/05/89/571010589.db2.gz OHJCCJNDANRXCJ-QZTJIDSGSA-N 1 0 396.539 2.635 40 0 GFABRO C[NH+](C)CCn1nc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)c2nccnc21 ZINC000019583058 571014285 /nfs/dbraw/zinc/01/42/85/571014285.db2.gz YFDYDMIZVRNLQX-QGZVFWFLSA-N 1 0 384.528 2.674 40 0 GFABRO Cc1nc(-c2ccc(CNC(=O)CCC[NH+]3CCCC3)cc2)ccc1C(N)=O ZINC000019700592 571031544 /nfs/dbraw/zinc/03/15/44/571031544.db2.gz NXWWTQHFXMCJPP-UHFFFAOYSA-N 1 0 380.492 2.648 40 0 GFABRO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CC[N@H+](CCc1ccccc1)C2 ZINC000019708595 571033206 /nfs/dbraw/zinc/03/32/06/571033206.db2.gz XVFNKTNKEAHCPE-HXUWFJFHSA-N 1 0 379.508 2.803 40 0 GFABRO CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)CCc2ccccc2)n1 ZINC000019710009 571034094 /nfs/dbraw/zinc/03/40/94/571034094.db2.gz AQYPXIIIIZRVPU-GOSISDBHSA-N 1 0 381.524 2.601 40 0 GFABRO Cc1oc2c(c1C(=O)N1CCC[C@H]1c1nnc3n1CC[N@@H+](C)CC3)CCCC2 ZINC000019710763 571034850 /nfs/dbraw/zinc/03/48/50/571034850.db2.gz HRFMKBRSFKZAMW-INIZCTEOSA-N 1 0 383.496 2.524 40 0 GFABRO CCN(c1ccc(C(=O)NCCC[NH+](C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000224362283 222655305 /nfs/dbraw/zinc/65/53/05/222655305.db2.gz CVCCNSGFHDABAF-UHFFFAOYSA-N 1 0 389.521 2.583 40 0 GFABRO COCCOCC(=O)N1[C@@H]2CCCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257258289 222765722 /nfs/dbraw/zinc/76/57/22/222765722.db2.gz KTESQEBMZWPAOX-XANJAXJYSA-N 1 0 386.536 2.782 40 0 GFABRO CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[NH+]2CCCCC2)cc1 ZINC000067870761 291120070 /nfs/dbraw/zinc/12/00/70/291120070.db2.gz UGMVELZZZGAVCE-JAXLGGSGSA-N 1 0 384.568 2.679 40 0 biogenic,in-vitro GFABRO Cc1ccc(Nc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)cc1F ZINC000329038625 212094007 /nfs/dbraw/zinc/09/40/07/212094007.db2.gz RTKZWFUYRUMWPS-UHFFFAOYSA-N 1 0 380.471 2.937 40 0 GFABRO Cc1nc(N2CCc3ccc(Br)cc3C2)cc(N[C@@H](C)CO)[nH+]1 ZINC000329029607 212093272 /nfs/dbraw/zinc/09/32/72/212093272.db2.gz PZLFVNKCRVJBDW-NSHDSACASA-N 1 0 377.286 2.903 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccn2)n1 ZINC000329016796 212093108 /nfs/dbraw/zinc/09/31/08/212093108.db2.gz NHMARMGZEQLSDD-UHFFFAOYSA-N 1 0 386.862 2.892 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2cccc(Br)c2)cc(C2CC2)n1 ZINC000328990354 212091636 /nfs/dbraw/zinc/09/16/36/212091636.db2.gz IOFXRDDMYCAXCK-UHFFFAOYSA-N 1 0 376.302 2.677 40 0 GFABRO NC(=O)c1cc2ccccc2nc1[C@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000013267552 221264086 /nfs/dbraw/zinc/26/40/86/221264086.db2.gz ZDETWQYTVBUIMJ-SFHVURJKSA-N 1 0 394.519 2.916 40 0 GFABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccnc(N3CCCC3)n2)CC1 ZINC000019021159 221395041 /nfs/dbraw/zinc/39/50/41/221395041.db2.gz IXYCYZGAARJUNF-UHFFFAOYSA-N 1 0 397.498 2.843 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1 ZINC000019021811 221395140 /nfs/dbraw/zinc/39/51/40/221395140.db2.gz PDGYQJLCGXUTSE-SFHVURJKSA-N 1 0 393.491 2.566 40 0 GFABRO CNc1nc(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)nc2c1CN(C(C)=O)CC2 ZINC000019711061 221442603 /nfs/dbraw/zinc/44/26/03/221442603.db2.gz MPRJYSVDCLCGQN-QGZVFWFLSA-N 1 0 383.540 2.959 40 0 GFABRO COc1cccc(-c2cncc([C@@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)n2)c1 ZINC000072359389 222239339 /nfs/dbraw/zinc/23/93/39/222239339.db2.gz DWCPWWBYZPUUOW-GOSISDBHSA-N 1 0 380.492 2.954 40 0 GFABRO C[N@@H+]1CCn2c(nnc2[C@@H]2CCCCN2C(=O)c2cccc3cccnc32)C1 ZINC000072374018 222242582 /nfs/dbraw/zinc/24/25/82/222242582.db2.gz ZJVQGERTHICYFD-KRWDZBQOSA-N 1 0 376.464 2.639 40 0 GFABRO O=C(c1cc([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n[nH]1)N1CCOCC1 ZINC000072380623 222244644 /nfs/dbraw/zinc/24/46/44/222244644.db2.gz LPYPVIKKBKYMGW-LJQANCHMSA-N 1 0 382.508 2.694 40 0 GFABRO CNc1cc(Nc2nccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)ncn1 ZINC000072377641 222244991 /nfs/dbraw/zinc/24/49/91/222244991.db2.gz KJINJSACFMMLRY-MRXNPFEDSA-N 1 0 376.468 2.827 40 0 GFABRO CO[C@H]1O[C@@H]2c3cc4c(cc3CC[C@H]([NH3+])[C@@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000079669824 222307573 /nfs/dbraw/zinc/30/75/73/222307573.db2.gz KHGHLZADBAGWRT-WVCOCCBZSA-N 1 0 383.400 2.918 40 0 GFABRO CCN1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1cccnc1)CC2 ZINC000096037022 222372907 /nfs/dbraw/zinc/37/29/07/222372907.db2.gz QHYMOIPJWVJABT-UHFFFAOYSA-N 1 0 391.523 2.505 40 0 GFABRO CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000225402086 560043627 /nfs/dbraw/zinc/04/36/27/560043627.db2.gz QQQRCTBZYBDVQW-VQTJNVASSA-N 1 0 383.467 2.736 40 0 biogenic,in-vitro GFABRO COc1ccc2c3c1O[C@@]1(C)[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)=O)C2 ZINC000096316382 560053975 /nfs/dbraw/zinc/05/39/75/560053975.db2.gz FNIFBBNFYMIPEZ-PIHUIAAXSA-N 1 0 395.499 2.895 40 0 biogenic,in-vitro GFABRO COCC[N@H+](C)C[C@H]1CO[C@@]2(C1)CCCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000096228482 570221334 /nfs/dbraw/zinc/22/13/34/570221334.db2.gz WIIGKHDZGCHYPH-FDDCHVKYSA-N 1 0 397.519 2.824 40 0 GFABRO CN1CC[N@H+](CC2CC2)C2(CCN(Cc3ccc(Cl)c(F)c3)CC2)C1=O ZINC000096230295 570221576 /nfs/dbraw/zinc/22/15/76/570221576.db2.gz GBLGLTKOVZMXGR-UHFFFAOYSA-N 1 0 379.907 2.998 40 0 GFABRO Cc1nc(CN2Cc3ccccc3C3(CC[NH+](CC(=O)N(C)C)CC3)C2)cs1 ZINC000096242425 570222844 /nfs/dbraw/zinc/22/28/44/570222844.db2.gz WXNINALAKQNDFM-UHFFFAOYSA-N 1 0 398.576 2.889 40 0 GFABRO O=S1(=O)NCC2(CC[NH+](Cc3ccccc3F)CC2)COc2ccccc21 ZINC000096263458 570226565 /nfs/dbraw/zinc/22/65/65/570226565.db2.gz FQLPTRWOHZIYEI-UHFFFAOYSA-N 1 0 390.480 2.779 40 0 GFABRO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1ccccc1 ZINC000585262334 570230185 /nfs/dbraw/zinc/23/01/85/570230185.db2.gz LIKNGQJFAMNPCX-CZYKHXBRSA-N 1 0 380.488 2.852 40 0 GFABRO CCOc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(OCCCO)cc1 ZINC000585270416 570239251 /nfs/dbraw/zinc/23/92/51/570239251.db2.gz WCYRTZYMEHOTAI-IBGZPJMESA-N 1 0 389.492 2.718 40 0 GFABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2CC1(O)CCN(c2cccc(C)c2)CC1 ZINC000585282088 570250150 /nfs/dbraw/zinc/25/01/50/570250150.db2.gz AFTUJGJDILYLDK-FGZHOGPDSA-N 1 0 385.552 2.802 40 0 GFABRO Cc1cc(OC[C@@]2(O)COCC[N@H+](CC3(O)CCCCCC3)C2)ccc1F ZINC000585282705 570250841 /nfs/dbraw/zinc/25/08/41/570250841.db2.gz NBABSQRTGNPWJB-NRFANRHFSA-N 1 0 381.488 2.662 40 0 GFABRO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@@H+]2CC1(O)CCN(c2ccc(F)cc2)CC1 ZINC000585284636 570254025 /nfs/dbraw/zinc/25/40/25/570254025.db2.gz UDMBVLSLMYURTJ-PMACEKPBSA-N 1 0 389.515 2.632 40 0 GFABRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCCCC2)ccc1N1CCCC1=O ZINC000020457906 570259584 /nfs/dbraw/zinc/25/95/84/570259584.db2.gz JSNXOFDWZYGDEP-UHFFFAOYSA-N 1 0 393.553 2.666 40 0 GFABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 ZINC000223254638 570453147 /nfs/dbraw/zinc/45/31/47/570453147.db2.gz WHJNHCBANGPUCN-PMACEKPBSA-N 1 0 392.532 2.801 40 0 GFABRO C[N@@H+](Cc1ccc(OCCOCCO)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257294129 570488663 /nfs/dbraw/zinc/48/86/63/570488663.db2.gz QSQQVXPOCYTQFO-OAQYLSRUSA-N 1 0 398.503 2.522 40 0 GFABRO COC[C@H]1C[N@H+](Cc2ccco2)CC12CCN(C(=O)c1cscn1)CC2 ZINC000247901088 570717077 /nfs/dbraw/zinc/71/70/77/570717077.db2.gz VYFNLSOTTJZBNN-OAHLLOKOSA-N 1 0 375.494 2.737 40 0 GFABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257206915 570760723 /nfs/dbraw/zinc/76/07/23/570760723.db2.gz BFLQCOQXZCZLOW-KRWDZBQOSA-N 1 0 382.512 2.524 40 0 GFABRO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)s1 ZINC000257216735 570762231 /nfs/dbraw/zinc/76/22/31/570762231.db2.gz CVWBXDHSOZWIQC-AWEZNQCLSA-N 1 0 395.554 2.884 40 0 GFABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C1)CCC2 ZINC000257231726 570765574 /nfs/dbraw/zinc/76/55/74/570765574.db2.gz GHYKYRUFJOMNJK-QGZVFWFLSA-N 1 0 382.508 2.988 40 0 GFABRO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC000257255396 570771053 /nfs/dbraw/zinc/77/10/53/570771053.db2.gz KHHLCJRPVUWREB-MRXNPFEDSA-N 1 0 393.495 2.984 40 0 GFABRO CNC(=O)c1sc2nc([C@]3(C)CCC[N@H+](Cc4cnccn4)C3)ccc2c1N ZINC000257264837 570772447 /nfs/dbraw/zinc/77/24/47/570772447.db2.gz LWESYJTUVNHEBJ-HXUWFJFHSA-N 1 0 396.520 2.582 40 0 GFABRO CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)C1 ZINC000257288899 570776471 /nfs/dbraw/zinc/77/64/71/570776471.db2.gz PWDHTIMMFYPRMM-LJQANCHMSA-N 1 0 394.519 2.751 40 0 GFABRO C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cc4c([nH]c3=O)CCC4)CC[C@H]21 ZINC000257330328 570782973 /nfs/dbraw/zinc/78/29/73/570782973.db2.gz XNXFDQIFAIRZDF-SFHLNBCPSA-N 1 0 377.488 2.836 40 0 GFABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218480678 570903422 /nfs/dbraw/zinc/90/34/22/570903422.db2.gz ABQNVLMROCNAHX-ZJOUEHCJSA-N 1 0 387.501 2.751 40 0 GFABRO O=C(CN1CCOCC1)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100394 570924491 /nfs/dbraw/zinc/92/44/91/570924491.db2.gz MVBLOZIWSJYGGN-JOCHJYFZSA-N 1 0 389.515 2.505 40 0 GFABRO Cc1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)n(C)n1 ZINC000585099843 570925902 /nfs/dbraw/zinc/92/59/02/570925902.db2.gz HOGHFQVSAUAQEM-NRFANRHFSA-N 1 0 385.512 2.881 40 0 GFABRO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000019528059 570928805 /nfs/dbraw/zinc/92/88/05/570928805.db2.gz BTBUZTWUIBAWLV-HXUWFJFHSA-N 1 0 380.471 2.587 40 0 GFABRO C[N@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1ccccc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585105107 570934233 /nfs/dbraw/zinc/93/42/33/570934233.db2.gz YGRRXSUICMAAAA-NJDAHSKKSA-N 1 0 386.536 2.933 40 0 GFABRO CC(C)CS(=O)(=O)N[C@@H]1CCCC[C@]12C[N@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000306123909 570935719 /nfs/dbraw/zinc/93/57/19/570935719.db2.gz BAHBELYJQDXKMC-AQNXPRMDSA-N 1 0 384.586 2.932 40 0 GFABRO O=C(NC1CCC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306124015 570935802 /nfs/dbraw/zinc/93/58/02/570935802.db2.gz BDBPGRQWSJNXBW-HUUCEWRRSA-N 1 0 385.899 2.518 40 0 GFABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)s2)CC1 ZINC000585106119 570935824 /nfs/dbraw/zinc/93/58/24/570935824.db2.gz NTDLEVDQWJFQFF-UAGQMJEPSA-N 1 0 389.565 2.755 40 0 GFABRO CN1CC2(CC[NH+](Cc3cccnc3)CC2)c2nn(CC3CCC3)cc2C1=O ZINC000306122973 570935840 /nfs/dbraw/zinc/93/58/40/570935840.db2.gz ABEGHSMLZJUYQU-UHFFFAOYSA-N 1 0 379.508 2.698 40 0 GFABRO Cc1ccc(C[NH+]2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)s1 ZINC000306128636 570938213 /nfs/dbraw/zinc/93/82/13/570938213.db2.gz HHABOOYMFBYABM-UHFFFAOYSA-N 1 0 385.537 2.769 40 0 GFABRO C[NH+](C)CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)C2CC2)CC1 ZINC000306139509 570944401 /nfs/dbraw/zinc/94/44/01/570944401.db2.gz SZAVQCHMJBBWKY-UHFFFAOYSA-N 1 0 380.492 2.732 40 0 GFABRO CC[C@@H](C)CNC(=O)c1ccc2ncc(N3CC[NH+](CC4CC4)CC3)nc2c1 ZINC000306142656 570945774 /nfs/dbraw/zinc/94/57/74/570945774.db2.gz XFPXTOXPHKVTCI-MRXNPFEDSA-N 1 0 381.524 2.938 40 0 GFABRO Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc(C4CC[NH+](C)CC4)ncc3C2)cc1 ZINC000019210921 570960429 /nfs/dbraw/zinc/96/04/29/570960429.db2.gz YXMHQWALOFUHIL-KRWDZBQOSA-N 1 0 394.519 2.946 40 0 GFABRO COCCC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000019236168 570966533 /nfs/dbraw/zinc/96/65/33/570966533.db2.gz SSKWTPNWSFIBPZ-JOCHJYFZSA-N 1 0 382.508 2.891 40 0 GFABRO COc1ccc(C[N@@H+]2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCC(=O)N3)cc1CO ZINC000019236365 570966604 /nfs/dbraw/zinc/96/66/04/570966604.db2.gz ZGRPYSDZBFMZCI-WMZHIEFXSA-N 1 0 395.503 2.529 40 0 GFABRO O=C(c1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)no1)N1CCC(O)CC1 ZINC000019293829 570973231 /nfs/dbraw/zinc/97/32/31/570973231.db2.gz BRBFPDLDFPGFDH-INIZCTEOSA-N 1 0 387.455 2.790 40 0 GFABRO O=c1cc(C[C@@H]([NH2+]Cc2ccncc2)c2ccc(F)cc2)nc(N2CCCC2)[nH]1 ZINC000019332504 570975636 /nfs/dbraw/zinc/97/56/36/570975636.db2.gz NLMWQFJGYJDHQL-HXUWFJFHSA-N 1 0 393.466 2.978 40 0 GFABRO CCc1cc(=O)[nH]c([C@@H]2CCC[N@H+](Cc3cc(OC)c(OC)c(OC)c3)C2)n1 ZINC000019522490 570995384 /nfs/dbraw/zinc/99/53/84/570995384.db2.gz PLGICVPIRPGZQR-OAHLLOKOSA-N 1 0 387.480 2.738 40 0 GFABRO CCc1ncc(CN2CCC([NH+]3CCN(Cc4ccccc4)CC3)CC2)cn1 ZINC000019523350 570995682 /nfs/dbraw/zinc/99/56/82/570995682.db2.gz JTTGJPHSOZGMJV-UHFFFAOYSA-N 1 0 379.552 2.821 40 0 GFABRO CCN1C[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)CC1=O ZINC000019526973 570997602 /nfs/dbraw/zinc/99/76/02/570997602.db2.gz SGVPGSRUIGDLSW-ROPHOZQPSA-N 1 0 387.499 2.521 40 0 GFABRO COc1ccc(CC(=O)N2C[C@H](c3cccc(OC)c3)[C@H]3[NH2+]CCC[C@H]32)cc1 ZINC000019554322 571002406 /nfs/dbraw/zinc/00/24/06/571002406.db2.gz SALOFPISJBCSBA-MQSCRBSSSA-N 1 0 380.488 2.993 40 0 GFABRO Cc1nn([C@H](C)CC(=O)N2CCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)c(C)c1C ZINC000019556145 571003548 /nfs/dbraw/zinc/00/35/48/571003548.db2.gz NKJCJEADZXZPHI-YJYMSZOUSA-N 1 0 382.512 2.559 40 0 GFABRO COc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1OC ZINC000019567625 571008765 /nfs/dbraw/zinc/00/87/65/571008765.db2.gz IKZWTARTLYTMFW-QGZVFWFLSA-N 1 0 392.459 2.839 40 0 GFABRO C[NH+](C)C[C@@H]1CCCN(C(=O)Cn2c3ccccc3nc2-c2ccccn2)C1 ZINC000019582054 571013615 /nfs/dbraw/zinc/01/36/15/571013615.db2.gz APKRXBJXSYGDNW-KRWDZBQOSA-N 1 0 377.492 2.899 40 0 GFABRO Cc1c2ccccc2oc1C(=O)N1CCc2nnc([C@@H]3CCC[N@@H+](C)C3)n2CC1 ZINC000019709253 571033502 /nfs/dbraw/zinc/03/35/02/571033502.db2.gz YUMDQKBIPJBUGP-MRXNPFEDSA-N 1 0 393.491 2.840 40 0 GFABRO CCn1c(C)nc2cc(NC(=O)CC[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000019717434 571039449 /nfs/dbraw/zinc/03/94/49/571039449.db2.gz LEGFYBOSHVTNQU-UHFFFAOYSA-N 1 0 392.507 2.910 40 0 GFABRO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1ccccc1F ZINC000257222036 222757238 /nfs/dbraw/zinc/75/72/38/222757238.db2.gz DRQBDBYDQWUVTR-CZYKHXBRSA-N 1 0 398.478 2.991 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2c(F)cccc2Cl)cc(-c2ccccn2)n1 ZINC000329065695 212095053 /nfs/dbraw/zinc/09/50/53/212095053.db2.gz XTXAUZCNRWYSSH-UHFFFAOYSA-N 1 0 386.862 2.892 40 0 GFABRO COc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@H](C2)[N@@H+](CC2CC2)CC[C@@]315)OCCO4 ZINC000005158830 220837990 /nfs/dbraw/zinc/83/79/90/220837990.db2.gz ZKNHXBONWOGIMA-PEYKTXOXSA-N 1 0 383.488 2.888 40 0 GFABRO O=C1CCCN1c1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1 ZINC000012292124 221175471 /nfs/dbraw/zinc/17/54/71/221175471.db2.gz OYNXXAGSKLHTAO-NRFANRHFSA-N 1 0 398.478 2.970 40 0 GFABRO COc1cccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)c1 ZINC000012330098 221182353 /nfs/dbraw/zinc/18/23/53/221182353.db2.gz DIXBVXAXHALXCO-UXHICEINSA-N 1 0 385.460 2.785 40 0 GFABRO C[C@H](O)C[NH2+]Cc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186513 221164497 /nfs/dbraw/zinc/16/44/97/221164497.db2.gz SKEDBJSPZRKUAM-AWEZNQCLSA-N 1 0 392.434 2.990 40 0 GFABRO COc1ccccc1CN(CC[NH+](C)C)C(=O)Cc1ccc2c(c1)OCCO2 ZINC000012238266 221171406 /nfs/dbraw/zinc/17/14/06/221171406.db2.gz GGLSLZHBFOMUIB-UHFFFAOYSA-N 1 0 384.476 2.599 40 0 GFABRO CC(=O)NCCn1nc([C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)c2nccnc21 ZINC000019021562 221394730 /nfs/dbraw/zinc/39/47/30/221394730.db2.gz JJHPPRAVOBMXRJ-INIZCTEOSA-N 1 0 398.898 2.605 40 0 GFABRO COC(=O)CSc1nnc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000225146818 533584338 /nfs/dbraw/zinc/58/43/38/533584338.db2.gz VSWKEBFBKMVXNL-UHFFFAOYSA-N 1 0 392.506 2.651 40 0 GFABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2c(C)nc(N4CCOCC4)nc23)cc1 ZINC000096244562 136185697 /nfs/dbraw/zinc/18/56/97/136185697.db2.gz MBQAQYFUUHLNCA-HSZRJFAPSA-N 1 0 394.519 2.604 40 0 GFABRO COc1cccc(-c2cccc([C@H]3CCC[N@H+](CC(=O)N4CCOCC4)C3)n2)c1 ZINC000072348721 222234516 /nfs/dbraw/zinc/23/45/16/222234516.db2.gz GTZKUPMGDRXBCQ-IBGZPJMESA-N 1 0 395.503 2.795 40 0 GFABRO COc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000072391770 222249790 /nfs/dbraw/zinc/24/97/90/222249790.db2.gz KRNRXFMOYISDOI-UHFFFAOYSA-N 1 0 375.490 2.972 40 0 GFABRO COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000073257869 222268809 /nfs/dbraw/zinc/26/88/09/222268809.db2.gz CGPNWVMBMDTTMA-LEWJYISDSA-N 1 0 398.503 2.839 40 0 GFABRO O=C(c1nc[nH]n1)N1CCC2(CC1)C[N@H+](Cc1ccco1)Cc1ccccc12 ZINC000096079565 222376286 /nfs/dbraw/zinc/37/62/86/222376286.db2.gz UEEMPYNMJKINNA-UHFFFAOYSA-N 1 0 377.448 2.588 40 0 GFABRO CCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2)CN(C)C(=O)C1 ZINC000096113428 222380945 /nfs/dbraw/zinc/38/09/45/222380945.db2.gz SOOVWFBYKIYBLN-RTBURBONSA-N 1 0 389.540 2.670 40 0 biogenic,in-vitro GFABRO Cc1nc(C2CC[NH+](Cc3ccc(F)cc3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019766539 526782989 /nfs/dbraw/zinc/78/29/89/526782989.db2.gz MJGBBAWBCRGTBT-UHFFFAOYSA-N 1 0 398.482 2.776 40 0 GFABRO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cccs3)C[C@@H]12 ZINC000247503606 553122985 /nfs/dbraw/zinc/12/29/85/553122985.db2.gz GGCXBVIXFUQBIV-RTBURBONSA-N 1 0 376.547 2.926 40 0 GFABRO COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3cncnc3)c4=O)C2)cc1 ZINC000004237334 560197771 /nfs/dbraw/zinc/19/77/71/560197771.db2.gz JISYAVHSLHYTIN-ZWKOTPCHSA-N 1 0 388.471 2.933 40 0 biogenic,in-vitro GFABRO COCC[N@H+](C)C[C@H]1CO[C@@]2(C1)CCCN(C(=O)c1ccc3[nH]ccc3c1)C2 ZINC000096228480 570221498 /nfs/dbraw/zinc/22/14/98/570221498.db2.gz HSGRKVMRIIHTOE-HTAPYJJXSA-N 1 0 385.508 2.757 40 0 GFABRO COCCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4cccc(Cl)c4)C[C@@H]32)N=C1C ZINC000096261516 570226187 /nfs/dbraw/zinc/22/61/87/570226187.db2.gz WNEXXHOWDJOYPP-IMFGXOCKSA-N 1 0 375.900 2.828 40 0 GFABRO CCN1CC[C@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2ccoc2)CC3)C1=O ZINC000096262762 570226491 /nfs/dbraw/zinc/22/64/91/570226491.db2.gz FGRLCGYJIYOPBL-QFIPXVFZSA-N 1 0 387.524 2.712 40 0 GFABRO CCOCCOc1ccc(C[N@H+](C)C[C@H](O)COc2cccc(OC)c2)cc1 ZINC000585269817 570238919 /nfs/dbraw/zinc/23/89/19/570238919.db2.gz LHLUXNDYZOCXJO-IBGZPJMESA-N 1 0 389.492 2.982 40 0 GFABRO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@@H+]2CC1(O)CCN(c2ccc(C)cc2)CC1 ZINC000585283880 570251727 /nfs/dbraw/zinc/25/17/27/570251727.db2.gz PKOKUNVTJDPZDT-SFTDATJTSA-N 1 0 385.552 2.802 40 0 GFABRO CC(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3ccccc3Cl)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382055 570353123 /nfs/dbraw/zinc/35/31/23/570353123.db2.gz BGTJKRQOHHMKRI-HNBVOPMISA-N 1 0 389.927 2.944 40 0 biogenic,in-vitro GFABRO CC(C)CC[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382729 570353707 /nfs/dbraw/zinc/35/37/07/570353707.db2.gz ZYSAQDSHHWKJOQ-VURPSTOHSA-N 1 0 387.499 2.819 40 0 biogenic,in-vitro GFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000035374953 570363488 /nfs/dbraw/zinc/36/34/88/570363488.db2.gz HLJFSDOUDBCMRB-ANRHTMQCSA-N 1 0 389.883 2.515 40 0 GFABRO C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)C1 ZINC000000902181 570413422 /nfs/dbraw/zinc/41/34/22/570413422.db2.gz BUNPLGCKECSICJ-KRWDZBQOSA-N 1 0 393.553 2.922 40 0 GFABRO COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222997729 570436059 /nfs/dbraw/zinc/43/60/59/570436059.db2.gz JUHOUEKFSHQQOD-RTBURBONSA-N 1 0 379.489 2.886 40 0 GFABRO Cn1c2ccc(NC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)cc2n(C)c1=O ZINC000039768888 570446372 /nfs/dbraw/zinc/44/63/72/570446372.db2.gz SPUQLCMQAVQRON-UHFFFAOYSA-N 1 0 396.466 2.867 40 0 GFABRO CN(C)C(=O)CN1[C@H](c2cccc(C(F)(F)F)c2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257202695 570760235 /nfs/dbraw/zinc/76/02/35/570760235.db2.gz AMXBTMYXSOMIFH-IKGGRYGDSA-N 1 0 397.441 2.968 40 0 GFABRO CCN1CC[N@H+](CCC(N)=O)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257202555 570760260 /nfs/dbraw/zinc/76/02/60/570760260.db2.gz AMHRPHSFWLZTJC-LJQANCHMSA-N 1 0 397.494 2.691 40 0 GFABRO C[NH+](C)CCOc1cccc(C(=O)N2CC[C@](C)(O)[C@@H](Oc3ccccc3)C2)c1 ZINC000257216597 570762126 /nfs/dbraw/zinc/76/21/26/570762126.db2.gz CVGMVBBXLFNMAI-GMAHTHKFSA-N 1 0 398.503 2.672 40 0 GFABRO COc1ccc(C)cc1N1C(=O)C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1=O ZINC000008215724 570765463 /nfs/dbraw/zinc/76/54/63/570765463.db2.gz PPJLWGRYQRWFQB-GOSISDBHSA-N 1 0 377.444 2.949 40 0 GFABRO CN(CCc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)c(Cl)c2)[C@@H]1O ZINC000257279282 570774841 /nfs/dbraw/zinc/77/48/41/570774841.db2.gz OFWWYYHEUZSNKM-ZRNYENFQSA-N 1 0 378.875 2.862 40 0 GFABRO CN(CC(=O)N1C[C@H]2[C@H](CC[C@@H]2Oc2cccnc2)C1)Cc1ccccc1F ZINC000257291913 570777024 /nfs/dbraw/zinc/77/70/24/570777024.db2.gz QJFHBGUQNDHGKU-PBEJRMEISA-N 1 0 383.467 2.969 40 0 GFABRO CCC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2ccccc2OC)CC1 ZINC000257343259 570784448 /nfs/dbraw/zinc/78/44/48/570784448.db2.gz ZSDWTYHETXAODP-NQIIRXRSSA-N 1 0 387.524 2.549 40 0 GFABRO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)C1 ZINC000072341144 570880762 /nfs/dbraw/zinc/88/07/62/570880762.db2.gz CFECCYGMHUMAFX-FOIQADDNSA-N 1 0 393.491 2.630 40 0 GFABRO CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C[NH+]2CCCCC2)CC1 ZINC000257268046 570897037 /nfs/dbraw/zinc/89/70/37/570897037.db2.gz MJZOLIIROKGTRO-WOIUINJBSA-N 1 0 386.540 2.667 40 0 GFABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000119911107 570924793 /nfs/dbraw/zinc/92/47/93/570924793.db2.gz PZCJSJAMALAIBG-LLVKDONJSA-N 1 0 377.794 2.898 40 0 GFABRO CCOc1ccc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](CC)CC2)cc1 ZINC000019528028 570928276 /nfs/dbraw/zinc/92/82/76/570928276.db2.gz SUJITQBLGPOOAQ-HXUWFJFHSA-N 1 0 384.528 2.914 40 0 GFABRO Cc1nc(C)c(C[N@H+]2CCC[C@]3(CCC(=O)N3CC(=O)NC(C)C)CC2)s1 ZINC000585100868 570928687 /nfs/dbraw/zinc/92/86/87/570928687.db2.gz ZSRKEPCQBPPCEP-FQEVSTJZSA-N 1 0 392.569 2.632 40 0 GFABRO Cc1nc(CN2C[C@H]3C[N@H+](Cc4cc(C)cc(C)c4)C[C@@H]3S2(=O)=O)cs1 ZINC000306125348 570936333 /nfs/dbraw/zinc/93/63/33/570936333.db2.gz CNAAZWBNQAPSDB-MJGOQNOKSA-N 1 0 391.562 2.714 40 0 GFABRO CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccnc2)CC1 ZINC000306126693 570937342 /nfs/dbraw/zinc/93/73/42/570937342.db2.gz FCFYKIDQXNKCNR-UHFFFAOYSA-N 1 0 396.539 2.678 40 0 GFABRO O=C1N(CC2CC2)CCO[C@]12C[N@H+](Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306128070 570938074 /nfs/dbraw/zinc/93/80/74/570938074.db2.gz GPHRUCIVJDEBJQ-CTNGQTDRSA-N 1 0 383.517 2.750 40 0 GFABRO COCCN1c2ccccc2C2(CC[NH+](Cc3ccccc3)CC2)S1(=O)=O ZINC000306131629 570939911 /nfs/dbraw/zinc/93/99/11/570939911.db2.gz KKOIIYCOEPHBQK-UHFFFAOYSA-N 1 0 386.517 2.974 40 0 GFABRO Cc1ccc(C[NH+]2CCC3(CC[C@@H]4ON=C(C(=O)N5CC(F)C5)[C@@H]43)CC2)o1 ZINC000306132114 570940380 /nfs/dbraw/zinc/94/03/80/570940380.db2.gz KYURHURNVPGNGJ-DLBZAZTESA-N 1 0 375.444 2.515 40 0 GFABRO COc1ccc(-c2nnc3n(c2=O)CC[C@]32CC[N@H+](Cc3ccsc3)C2)cc1 ZINC000306135717 570942246 /nfs/dbraw/zinc/94/22/46/570942246.db2.gz OYMVQJCKPXBJHE-NRFANRHFSA-N 1 0 394.500 2.923 40 0 GFABRO CC(C)[NH+]1CCC2(Cc3nc(=O)c4c(n3C2)CCN(Cc2ccccc2)C4)CC1 ZINC000306140501 570944783 /nfs/dbraw/zinc/94/47/83/570944783.db2.gz UVEUCJWPUXMRME-UHFFFAOYSA-N 1 0 392.547 2.848 40 0 GFABRO COCCN1CC[C@]2(C[N@H+](Cc3ccoc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306140951 570944818 /nfs/dbraw/zinc/94/48/18/570944818.db2.gz VHMMBLHRYJUDKO-GHTZIAJQSA-N 1 0 386.496 2.522 40 0 GFABRO Cc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019210913 570960460 /nfs/dbraw/zinc/96/04/60/570960460.db2.gz DTJSXBCMEUHDJS-SJORKVTESA-N 1 0 380.492 2.604 40 0 GFABRO [NH3+][C@@H](C(=O)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1)c1ccccc1 ZINC000019369136 570979950 /nfs/dbraw/zinc/97/99/50/570979950.db2.gz CJQYSBQCACENKT-LJQANCHMSA-N 1 0 398.894 2.743 40 0 GFABRO c1ccc2[nH]c(C3CC[NH+](Cc4ccnc(N5CCOCC5)n4)CC3)nc2c1 ZINC000019375810 570981889 /nfs/dbraw/zinc/98/18/89/570981889.db2.gz KWCBDWBSQCSVGY-UHFFFAOYSA-N 1 0 378.480 2.569 40 0 GFABRO C[NH+]1CCC(NC(=O)c2ccn(COc3ccc(Br)cc3)n2)CC1 ZINC000002787761 570989434 /nfs/dbraw/zinc/98/94/34/570989434.db2.gz VESNTVDUVBHWAC-UHFFFAOYSA-N 1 0 393.285 2.506 40 0 GFABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 ZINC000019576042 571011697 /nfs/dbraw/zinc/01/16/97/571011697.db2.gz XHCALFYQEZPZDG-YSIASYRMSA-N 1 0 376.504 2.724 40 0 GFABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)c1cccnc1N)Cc1ccccc1O2 ZINC000019584026 571014647 /nfs/dbraw/zinc/01/46/47/571014647.db2.gz RXZKUGUNDKXKJB-UHFFFAOYSA-N 1 0 380.492 2.942 40 0 GFABRO COc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)cc1F ZINC000019590681 571018557 /nfs/dbraw/zinc/01/85/57/571018557.db2.gz CCHJDEXCLOKFQL-UHFFFAOYSA-N 1 0 398.482 2.561 40 0 GFABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)c1cccc(OC)c1)CC2 ZINC000019711447 571035583 /nfs/dbraw/zinc/03/55/83/571035583.db2.gz HFAYJWWKWYVXQX-INIZCTEOSA-N 1 0 395.507 2.535 40 0 GFABRO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@H](CO)C(C)C)[nH+]c(C)n1)C2 ZINC000329060275 212094363 /nfs/dbraw/zinc/09/43/63/212094363.db2.gz WKSGWSGFLHHVGB-GOSISDBHSA-N 1 0 384.480 2.563 40 0 GFABRO C[NH+](C)CCNc1cc(N2CCc3cc(Br)ccc3C2)ncn1 ZINC000329066920 212095177 /nfs/dbraw/zinc/09/51/77/212095177.db2.gz YEVMSKRZLRBRGU-UHFFFAOYSA-N 1 0 376.302 2.775 40 0 GFABRO C[NH+](C)CCNc1nc(NCc2cccc(Cl)c2)cc(-c2ccncc2)n1 ZINC000328964933 212091197 /nfs/dbraw/zinc/09/11/97/212091197.db2.gz BYRNWMUUXHBGQV-UHFFFAOYSA-N 1 0 382.899 2.621 40 0 GFABRO COc1cc(C[NH+]2CCC(c3cc4cccnc4[nH]3)CC2)ccc1OCC(N)=O ZINC000012133388 221157322 /nfs/dbraw/zinc/15/73/22/221157322.db2.gz FESPELTUAFRASK-UHFFFAOYSA-N 1 0 394.475 2.815 40 0 GFABRO Cc1ccc([C@H](C)C(=O)N2CC[C@H](c3nn(CC[NH3+])c4ncccc34)C2)cc1 ZINC000019135661 221398770 /nfs/dbraw/zinc/39/87/70/221398770.db2.gz YCHAUCWKSIGHSZ-WMZOPIPTSA-N 1 0 377.492 2.818 40 0 GFABRO COc1ccc(C[N@@H+]2CCC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)cc1 ZINC000019018393 221394063 /nfs/dbraw/zinc/39/40/63/221394063.db2.gz XWELYQNWRHVFTA-SFHVURJKSA-N 1 0 380.492 2.769 40 0 GFABRO O=C(COC[C@@H]1CCCO1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294294 221406718 /nfs/dbraw/zinc/40/67/18/221406718.db2.gz ZYTWRRYBYHGARN-KEZQHZCBSA-N 1 0 390.499 2.848 40 0 GFABRO CCOc1ccc(CCC(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019533159 221422739 /nfs/dbraw/zinc/42/27/39/221422739.db2.gz KYMFKYBLOLVDIU-GOSISDBHSA-N 1 0 394.519 2.860 40 0 GFABRO COCCOc1ccc(C(=O)N2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)cc1 ZINC000072390792 222246498 /nfs/dbraw/zinc/24/64/98/222246498.db2.gz FDLJERDYJHYAPI-FQEVSTJZSA-N 1 0 396.491 2.515 40 0 GFABRO CC(=O)N1CC[C@@H](c2nn(CC[NH2+]Cc3ccccc3Cl)c3nccnc23)C1 ZINC000072391605 222248531 /nfs/dbraw/zinc/24/85/31/222248531.db2.gz QNEDGGXZVYAVTL-MRXNPFEDSA-N 1 0 398.898 2.605 40 0 GFABRO CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000096036863 222372305 /nfs/dbraw/zinc/37/23/05/222372305.db2.gz MEMDWDSFZDFBSN-KRWDZBQOSA-N 1 0 388.537 2.703 40 0 GFABRO COCCN(C)c1nc(C2CC[NH+](CCOC)CC2)cc2c1ncn2C(C)C ZINC000096155660 222393783 /nfs/dbraw/zinc/39/37/83/222393783.db2.gz JIKSEHPAOPBKMZ-UHFFFAOYSA-N 1 0 389.544 2.921 40 0 GFABRO Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc1 ZINC000096215456 222399005 /nfs/dbraw/zinc/39/90/05/222399005.db2.gz VFMBDJKUQKPSSF-OAQYLSRUSA-N 1 0 392.565 2.898 40 0 GFABRO O=C(NC[C@H]1CCCO1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000034684073 570209935 /nfs/dbraw/zinc/20/99/35/570209935.db2.gz MDSGHLNYESINKW-HSZRJFAPSA-N 1 0 393.531 2.913 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2cccc(F)c2F)cc(C(F)(F)F)n1 ZINC000329020293 570213110 /nfs/dbraw/zinc/21/31/10/570213110.db2.gz OAFCWQHCKXGDEP-UHFFFAOYSA-N 1 0 375.345 2.725 40 0 GFABRO Cc1c(C(=O)Nc2cc(CCc3ccccc3)ccn2)nnn1[C@H]1CC[NH2+]C1 ZINC000662491684 570220035 /nfs/dbraw/zinc/22/00/35/570220035.db2.gz LHILWOPPNIGISM-SFHVURJKSA-N 1 0 376.464 2.553 40 0 GFABRO COCC[N@H+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000096228483 570221307 /nfs/dbraw/zinc/22/13/07/570221307.db2.gz WIIGKHDZGCHYPH-WZONZLPQSA-N 1 0 397.519 2.824 40 0 GFABRO CC(C)[NH+]1CCN(c2ccc3ccc(C(=O)NCCc4cccnc4)cn32)CC1 ZINC000096267409 570227596 /nfs/dbraw/zinc/22/75/96/570227596.db2.gz YPEIWWLZOPJBET-UHFFFAOYSA-N 1 0 391.519 2.837 40 0 GFABRO OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000585295342 570279568 /nfs/dbraw/zinc/27/95/68/570279568.db2.gz VYTKKVPUEXWWBD-FQUZAXHOSA-N 1 0 389.495 2.863 40 0 GFABRO COC(=O)C[C@]1(C)[NH2+][C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000216598346 570303485 /nfs/dbraw/zinc/30/34/85/570303485.db2.gz NFQOYGSKVUFULD-UGTOYMOASA-N 1 0 392.455 2.767 40 0 GFABRO O=S1(=O)CC[C@H](N(CC[NH2+]Cc2cccc(F)c2)Cc2ccc(F)cc2)C1 ZINC000575420021 570307301 /nfs/dbraw/zinc/30/73/01/570307301.db2.gz DHQIZXGJYGQRKN-FQEVSTJZSA-N 1 0 394.487 2.744 40 0 GFABRO COc1cc(CNCC[NH2+]C[C@@H](C)O)ccc1OCc1ccccc1Cl ZINC000022075108 570321283 /nfs/dbraw/zinc/32/12/83/570321283.db2.gz JAXOEZRYSLYOTA-OAHLLOKOSA-N 1 0 378.900 2.988 40 0 GFABRO CC[NH+]1CCN(c2nc(C3CC3)nc3c2nnn3Cc2ccccc2Cl)CC1 ZINC000004489173 570378404 /nfs/dbraw/zinc/37/84/04/570378404.db2.gz KCJZECQSRMHYBZ-UHFFFAOYSA-N 1 0 397.914 2.942 40 0 GFABRO CS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000032445769 570510759 /nfs/dbraw/zinc/51/07/59/570510759.db2.gz HODVXCMQEAAOEJ-UHFFFAOYSA-N 1 0 387.505 2.584 40 0 GFABRO Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCC[NH+]1CCCC1 ZINC000225088633 570547863 /nfs/dbraw/zinc/54/78/63/570547863.db2.gz FRAJAZJMQOHMJV-SILNSSARSA-N 1 0 381.476 2.961 40 0 GFABRO C[C@@H]1CN(c2nccc(CN3CC[NH+]([C@@H]4CCCC[C@H]4C)CC3)n2)C[C@H](C)O1 ZINC000036718916 570561874 /nfs/dbraw/zinc/56/18/74/570561874.db2.gz OYHFXGNONNTNNM-WERVVEIQSA-N 1 0 387.572 2.787 40 0 GFABRO COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000225840913 570624811 /nfs/dbraw/zinc/62/48/11/570624811.db2.gz RDXOEBPNURVTIM-UHFFFAOYSA-N 1 0 389.521 2.865 40 0 GFABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)c4nonc4N)C3)c2)c1 ZINC000257207888 570761202 /nfs/dbraw/zinc/76/12/02/570761202.db2.gz BJUGLSYIEXNITK-ZDUSSCGKSA-N 1 0 394.435 2.737 40 0 GFABRO CCc1ccc([C@H]2C[N@H+](CC(N)=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 ZINC000257256063 570771085 /nfs/dbraw/zinc/77/10/85/570771085.db2.gz KJYDSFRAYQKPLN-GUDVDZBRSA-N 1 0 387.524 2.759 40 0 GFABRO O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000257281191 570774809 /nfs/dbraw/zinc/77/48/09/570774809.db2.gz OOBQQGMUCGVQHE-GMAHTHKFSA-N 1 0 396.487 2.820 40 0 GFABRO O=C1CO[C@](c2nccs2)(C2CC[NH+](Cc3ccccc3F)CC2)CN1 ZINC000019696657 570894840 /nfs/dbraw/zinc/89/48/40/570894840.db2.gz DQRWERLFBXQEEX-IBGZPJMESA-N 1 0 375.469 2.536 40 0 GFABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H]4CO)C3)CC2)cc1F ZINC000585104900 570934079 /nfs/dbraw/zinc/93/40/79/570934079.db2.gz WJZJLGLGULKKHW-RBUKOAKNSA-N 1 0 390.499 2.602 40 0 GFABRO Cc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]23)c1 ZINC000585106010 570935321 /nfs/dbraw/zinc/93/53/21/570935321.db2.gz CYHRHOGHIHCPIF-UXHICEINSA-N 1 0 383.536 2.694 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306126738 570937254 /nfs/dbraw/zinc/93/72/54/570937254.db2.gz FDTMVAHGIMXNTE-HZPDHXFCSA-N 1 0 379.489 2.896 40 0 GFABRO Cn1cc(C[N@@H+]2CC[C@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)cn1 ZINC000306128767 570937946 /nfs/dbraw/zinc/93/79/46/570937946.db2.gz HJYNDDQNTHWOHR-HXUWFJFHSA-N 1 0 379.489 2.681 40 0 GFABRO COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020141364 570942051 /nfs/dbraw/zinc/94/20/51/570942051.db2.gz MBOWGOUNUCZJNP-OAQYLSRUSA-N 1 0 398.555 2.987 40 0 GFABRO Cc1cccc(C[NH+]2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)c1 ZINC000306137114 570942498 /nfs/dbraw/zinc/94/24/98/570942498.db2.gz QLXSSQWQGBCMAE-UHFFFAOYSA-N 1 0 379.508 2.707 40 0 GFABRO COc1cc(N2C[C@@H]3O[C@@H](C[C@@]34CCC[N@H+](Cc3ccccc3)C4)C2)ncn1 ZINC000306141296 570945338 /nfs/dbraw/zinc/94/53/38/570945338.db2.gz VQYADFUYIFNJKM-CNNODRBYSA-N 1 0 380.492 2.745 40 0 GFABRO COCCc1ncc(CN2CC[NH+](CC3(c4ccc(C)cc4)CC3)CC2)cn1 ZINC000019208431 570959977 /nfs/dbraw/zinc/95/99/77/570959977.db2.gz ZJUISFVWMMCWMY-UHFFFAOYSA-N 1 0 380.536 2.823 40 0 GFABRO COc1cc2c(cc1C[N@H+]1C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C1)OCCO2 ZINC000019216114 570961835 /nfs/dbraw/zinc/96/18/35/570961835.db2.gz PXSMMJDJQHYACJ-WLENULPWSA-N 1 0 396.487 2.899 40 0 GFABRO O=S(=O)(c1ccc(Cl)cc1)N1CCCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019336124 570976050 /nfs/dbraw/zinc/97/60/50/570976050.db2.gz IPMXYYILRWDOAK-KRWDZBQOSA-N 1 0 392.912 2.692 40 0 GFABRO O=C(COC[C@H]1COc2ccccc2O1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019375744 570982018 /nfs/dbraw/zinc/98/20/18/570982018.db2.gz YQMTWXNASXQSRS-OALUTQOASA-N 1 0 388.508 2.710 40 0 GFABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1)c1ccccn1 ZINC000019400501 570982532 /nfs/dbraw/zinc/98/25/32/570982532.db2.gz KURHUPKLZRHODK-UEXGIBASSA-N 1 0 380.492 2.696 40 0 GFABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000019448289 570984591 /nfs/dbraw/zinc/98/45/91/570984591.db2.gz GBECETCYTDXDQS-SFHVURJKSA-N 1 0 384.455 2.653 40 0 GFABRO CCCc1cc(C(=O)N2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)no1 ZINC000019525274 570996747 /nfs/dbraw/zinc/99/67/47/570996747.db2.gz YIRQGBSIROQBOP-HNNXBMFYSA-N 1 0 396.495 2.563 40 0 GFABRO CCCN1CC[N@H+](CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585172762 570997866 /nfs/dbraw/zinc/99/78/66/570997866.db2.gz JYMUQQWBQXQDEW-OAQYLSRUSA-N 1 0 393.531 2.942 40 0 GFABRO COc1ccc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4ccncc4)n3)C2)c(OC)c1 ZINC000019552338 571001547 /nfs/dbraw/zinc/00/15/47/571001547.db2.gz VYGBZDQBRCOQDH-INIZCTEOSA-N 1 0 394.479 2.665 40 0 GFABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cccn1CCOc1ccc(Cl)cc1 ZINC000019575302 571011575 /nfs/dbraw/zinc/01/15/75/571011575.db2.gz SXYSQLFCCAYPMQ-LSTHTHJFSA-N 1 0 389.927 2.860 40 0 GFABRO COc1ccc(C[N@@H+]2C[C@@H](CO)[C@]3(C2)CCc2ccccc2C(=O)N3)c(C)c1C ZINC000019577410 571012354 /nfs/dbraw/zinc/01/23/54/571012354.db2.gz YGJMDLKWHWSELD-GBXCKJPGSA-N 1 0 394.515 2.851 40 0 GFABRO Cc1oc2c(c1C(=O)N1CCC[C@H](c3ncc4c(n3)CC[NH2+]C4)C1)CCCC2 ZINC000019581231 571013221 /nfs/dbraw/zinc/01/32/21/571013221.db2.gz TWJBWIUNSJGYAK-HNNXBMFYSA-N 1 0 380.492 2.922 40 0 GFABRO C[NH+](C)CC(=O)N1CCC([C@@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019696242 571030111 /nfs/dbraw/zinc/03/01/11/571030111.db2.gz FRWREPXCDCRBLF-FQEVSTJZSA-N 1 0 387.499 2.531 40 0 GFABRO CNc1nc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711510 571035716 /nfs/dbraw/zinc/03/57/16/571035716.db2.gz DFVASYJEQXXESM-LJQANCHMSA-N 1 0 393.535 2.845 40 0 GFABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409057013 231152548 /nfs/dbraw/zinc/15/25/48/231152548.db2.gz GDQDXBILACAHPI-LADMSCKDSA-O 1 0 388.422 2.842 40 0 GFABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)[nH+]1 ZINC000257301130 222772530 /nfs/dbraw/zinc/77/25/30/222772530.db2.gz RXCPTDUMTOKJDV-CQSZACIVSA-N 1 0 378.473 2.868 40 0 GFABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(Cc4cccnc4)CCN3C(C)(C)C2)cc1 ZINC000253405012 212135847 /nfs/dbraw/zinc/13/58/47/212135847.db2.gz RQGYXMVYVFHGRI-NRFANRHFSA-N 1 0 380.536 2.871 40 0 biogenic,in-vitro GFABRO C[NH+](C)CCNc1nccc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329008468 212093885 /nfs/dbraw/zinc/09/38/85/212093885.db2.gz LQRMWZJTPPNRBR-UHFFFAOYSA-N 1 0 376.302 2.775 40 0 GFABRO COc1cccc(CNc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)c1 ZINC000329001493 212092151 /nfs/dbraw/zinc/09/21/51/212092151.db2.gz KEXHCSLFYQLTMW-UHFFFAOYSA-N 1 0 391.519 2.972 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2ccc(F)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000329071536 212096323 /nfs/dbraw/zinc/09/63/23/212096323.db2.gz ZQSMNOPBUYKRQY-UHFFFAOYSA-N 1 0 377.773 2.849 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2cc(F)ccc2F)cc(C(F)(F)F)n1 ZINC000329047186 212094982 /nfs/dbraw/zinc/09/49/82/212094982.db2.gz UFJAKHJAXFFHRJ-UHFFFAOYSA-N 1 0 375.345 2.725 40 0 GFABRO C[NH+](C)CCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)ncn1 ZINC000328960975 212091174 /nfs/dbraw/zinc/09/11/74/212091174.db2.gz AZVIBVPUJGXZBX-UHFFFAOYSA-N 1 0 381.402 2.911 40 0 GFABRO C[NH+](C)CCNc1nccc(N2CCc3ccc(Br)cc3C2)n1 ZINC000328974796 212090063 /nfs/dbraw/zinc/09/00/63/212090063.db2.gz FGQKCQGGAJQCHG-UHFFFAOYSA-N 1 0 376.302 2.775 40 0 GFABRO COc1ccc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)c(OC)c1 ZINC000012328288 221183163 /nfs/dbraw/zinc/18/31/63/221183163.db2.gz CPEISBDULZCQQH-INIZCTEOSA-N 1 0 394.479 2.665 40 0 GFABRO COc1ncc(C2(O)CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)n1 ZINC000012186350 221163660 /nfs/dbraw/zinc/16/36/60/221163660.db2.gz KXQMJJOLNCPYLC-UHFFFAOYSA-N 1 0 397.397 2.996 40 0 GFABRO COc1ccc(CC(=O)N2Cc3ccccc3O[C@H](C[NH+](C)C)C2)cc1OC ZINC000012235125 221171689 /nfs/dbraw/zinc/17/16/89/221171689.db2.gz SKPXLLYCSDLSLP-GOSISDBHSA-N 1 0 384.476 2.598 40 0 GFABRO COc1ccc(CC(=O)N2Cc3ccccc3O[C@@H](C[NH+](C)C)C2)cc1OC ZINC000012235129 221172007 /nfs/dbraw/zinc/17/20/07/221172007.db2.gz SKPXLLYCSDLSLP-SFHVURJKSA-N 1 0 384.476 2.598 40 0 GFABRO COc1cc(C[NH2+]CCc2ccccc2)c(Br)cc1OCC(N)=O ZINC000016194866 221358788 /nfs/dbraw/zinc/35/87/88/221358788.db2.gz VZCFVUNSBHVYMV-UHFFFAOYSA-N 1 0 393.281 2.654 40 0 GFABRO O=C(C1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)C1 ZINC000019014522 221394361 /nfs/dbraw/zinc/39/43/61/221394361.db2.gz NOFBMCPUYPLBQD-MRXNPFEDSA-N 1 0 384.524 2.989 40 0 GFABRO C[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019084023 221396629 /nfs/dbraw/zinc/39/66/29/221396629.db2.gz YJHPTRKRIHZOTG-QLFBSQMISA-N 1 0 397.514 2.971 40 0 GFABRO C[NH2+]C1CCC2(CC1)CN(C(=O)CCn1cc(C)cn1)Cc1ccccc1O2 ZINC000019240014 221403315 /nfs/dbraw/zinc/40/33/15/221403315.db2.gz VEYPYEWDPSLGIL-UHFFFAOYSA-N 1 0 382.508 2.904 40 0 GFABRO COCC[NH+]1CCN(c2cc(C)nc3c(-c4ccc(OC)cc4)c(C)nn32)CC1 ZINC000072341679 136168532 /nfs/dbraw/zinc/16/85/32/136168532.db2.gz DBGXYWDXWOZMMY-UHFFFAOYSA-N 1 0 395.507 2.790 40 0 GFABRO COc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000072358552 222238944 /nfs/dbraw/zinc/23/89/44/222238944.db2.gz MSYPPIPIPJLPSQ-KRWDZBQOSA-N 1 0 380.492 2.954 40 0 GFABRO COc1cccc(-c2cncc([C@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)n2)c1 ZINC000072359390 222239866 /nfs/dbraw/zinc/23/98/66/222239866.db2.gz DWCPWWBYZPUUOW-SFHVURJKSA-N 1 0 380.492 2.954 40 0 GFABRO O=C(c1cccc2cccnc21)N1CCC[C@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075569 222376069 /nfs/dbraw/zinc/37/60/69/222376069.db2.gz FSFLDAVGWKYQHZ-JPYJTQIMSA-N 1 0 395.503 2.578 40 0 GFABRO Cc1ccc(C[N@H+]2CC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)cc1 ZINC000096225906 222399734 /nfs/dbraw/zinc/39/97/34/222399734.db2.gz GQDBQXMRFVBMIN-QFIPXVFZSA-N 1 0 378.476 2.769 40 0 GFABRO Cc1cccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NCC2CC2)Cn2ccnc23)c1 ZINC000096243604 570223243 /nfs/dbraw/zinc/22/32/43/570223243.db2.gz YMZOCPALGMDXEP-FQEVSTJZSA-N 1 0 394.519 2.608 40 0 GFABRO COCCOc1cc(C[N@H+](C)C[C@@H](O)COc2ccccc2)ccc1OC ZINC000585262527 570230640 /nfs/dbraw/zinc/23/06/40/570230640.db2.gz MBUOBDRCXHCINE-GOSISDBHSA-N 1 0 375.465 2.592 40 0 GFABRO OC1(C[N@@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CCCCCC1 ZINC000585282002 570249652 /nfs/dbraw/zinc/24/96/52/570249652.db2.gz FDMAALIPXFJPJQ-HXUWFJFHSA-N 1 0 383.916 2.867 40 0 GFABRO C[N@@H+](Cc1cccc(CN2CCOCC2)c1)C[C@@H](O)COC1CCCCC1 ZINC000257336215 570487170 /nfs/dbraw/zinc/48/71/70/570487170.db2.gz YNOTWEWSPUEKDE-OAQYLSRUSA-N 1 0 376.541 2.661 40 0 GFABRO COC(=O)c1ccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000225232256 570557947 /nfs/dbraw/zinc/55/79/47/570557947.db2.gz OMBXOZJHWGLOMC-UHFFFAOYSA-N 1 0 384.505 2.819 40 0 GFABRO CCNC(=S)N(CC[NH+](CC)CC)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000004134173 570618637 /nfs/dbraw/zinc/61/86/37/570618637.db2.gz WKMHDLAEPSUAEG-UHFFFAOYSA-N 1 0 390.553 2.575 40 0 GFABRO CC[C@@H]([NH3+])C(=O)N1CC[C@H]2O[C@H]3c4cccc(OC)c4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257200787 570760066 /nfs/dbraw/zinc/76/00/66/570760066.db2.gz AEWYPMIBGWAFKD-AUIAMIIESA-N 1 0 388.508 2.898 40 0 GFABRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCc1cc(=O)[nH][nH]1 ZINC000257229819 570765092 /nfs/dbraw/zinc/76/50/92/570765092.db2.gz FZOURPBTRQSOJG-AEFFLSMTSA-N 1 0 386.496 2.661 40 0 GFABRO CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)n1 ZINC000257253174 570770632 /nfs/dbraw/zinc/77/06/32/570770632.db2.gz JXVLPVMBNOFLDN-IBGZPJMESA-N 1 0 384.480 2.603 40 0 GFABRO Cc1cncc(CN2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 ZINC000257287364 570775959 /nfs/dbraw/zinc/77/59/59/570775959.db2.gz PPPJSAQYZLHZFS-HXUWFJFHSA-N 1 0 389.883 2.569 40 0 GFABRO Cc1nn(C)cc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@@H+]3C)on1 ZINC000257291062 570776570 /nfs/dbraw/zinc/77/65/70/570776570.db2.gz QFLCDGGENODTNF-CWWINAKGSA-N 1 0 383.496 2.861 40 0 GFABRO C[NH+](C)CCOc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1 ZINC000257329147 570782534 /nfs/dbraw/zinc/78/25/34/570782534.db2.gz XISKTSSLYCSBOE-GMAHTHKFSA-N 1 0 398.503 2.672 40 0 GFABRO CCn1cc(NC(=O)CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@@H+]3C)c(C)n1 ZINC000257334017 570783479 /nfs/dbraw/zinc/78/34/79/570783479.db2.gz YEEATEMIBWRYIV-SFHLNBCPSA-N 1 0 381.524 2.570 40 0 GFABRO O=C(NC1CC(F)(F)C1)C1=NO[C@@]2(C1)CCC[N@@H+](CC1CC(F)(F)C1)C2 ZINC000585101205 570926358 /nfs/dbraw/zinc/92/63/58/570926358.db2.gz NOJPWNCKMUTBBF-OAHLLOKOSA-N 1 0 377.382 2.557 40 0 GFABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218563958 570928509 /nfs/dbraw/zinc/92/85/09/570928509.db2.gz ITJLHESTTAYOET-SVFBPWRDSA-N 1 0 387.501 2.697 40 0 GFABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218598309 570931629 /nfs/dbraw/zinc/93/16/29/570931629.db2.gz NHVPZIMWEBWGRF-HBFSDRIKSA-N 1 0 391.464 2.582 40 0 GFABRO CC(C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104948 570934023 /nfs/dbraw/zinc/93/40/23/570934023.db2.gz WMCFPNXXWXNOBH-FQEVSTJZSA-N 1 0 386.521 2.664 40 0 GFABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(C)c2)CC1 ZINC000585106044 570935803 /nfs/dbraw/zinc/93/58/03/570935803.db2.gz HFYLIDTYZYMKKR-AHRSYUTCSA-N 1 0 383.536 2.694 40 0 GFABRO COC(=O)N1Cc2nnc(-c3ccco3)n2C2(CC[NH+](CCC(C)C)CC2)C1 ZINC000306126701 570937432 /nfs/dbraw/zinc/93/74/32/570937432.db2.gz FCSHXOIUOAWUIT-UHFFFAOYSA-N 1 0 387.484 2.957 40 0 GFABRO O=C1N(CC2CC2)CCO[C@@]12C[N@H+](Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306128072 570937871 /nfs/dbraw/zinc/93/78/71/570937871.db2.gz GPHRUCIVJDEBJQ-PZJWPPBQSA-N 1 0 383.517 2.750 40 0 GFABRO COc1ccc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cn(CC4CC4)nc23)cc1 ZINC000306131444 570939956 /nfs/dbraw/zinc/93/99/56/570939956.db2.gz KEOLSOXTDCJGQI-UHFFFAOYSA-N 1 0 394.519 2.921 40 0 GFABRO Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cc1 ZINC000019209592 570959940 /nfs/dbraw/zinc/95/99/40/570959940.db2.gz KRHZZUDSAKQNSB-HXUWFJFHSA-N 1 0 394.519 2.751 40 0 GFABRO Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019210867 570960442 /nfs/dbraw/zinc/96/04/42/570960442.db2.gz PVFLDTCQRHDXHJ-ROUUACIJSA-N 1 0 394.519 2.946 40 0 GFABRO Cc1ccc(C(=O)NCCn2nc(-c3ccccc3F)cc2C[NH+](C)C)cn1 ZINC000019214935 570961339 /nfs/dbraw/zinc/96/13/39/570961339.db2.gz WEXUOMYONDNDMH-UHFFFAOYSA-N 1 0 381.455 2.884 40 0 GFABRO Cn1cc(CCC(=O)N2CCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)c2ccccc21 ZINC000019290411 570971799 /nfs/dbraw/zinc/97/17/99/570971799.db2.gz ZQEGZWRFPZIOFY-NRFANRHFSA-N 1 0 389.503 2.910 40 0 GFABRO Cn1cc(-c2cc(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)no2)cn1 ZINC000019290761 570971942 /nfs/dbraw/zinc/97/19/42/570971942.db2.gz KXACLMBCNSSKCL-UHFFFAOYSA-N 1 0 379.464 2.991 40 0 GFABRO c1cncc(Oc2nc(N3CCCC3)nc3c2CC[N@@H+](C[C@H]2CCOC2)C3)c1 ZINC000019339878 570976956 /nfs/dbraw/zinc/97/69/56/570976956.db2.gz XEQZSDFANIGZFY-MRXNPFEDSA-N 1 0 381.480 2.659 40 0 GFABRO C[C@H]1Cc2cc(C(=O)N3CCC(c4ncc5c(n4)CC[N@@H+](C)C5)CC3)ccc2O1 ZINC000019497910 570990437 /nfs/dbraw/zinc/99/04/37/570990437.db2.gz JLHNUKNEMNNPFG-HNNXBMFYSA-N 1 0 392.503 2.808 40 0 GFABRO C[C@@H]1Cc2cc(C(=O)N3CCC[C@H](c4ncc5c(n4)CC[N@@H+](C)C5)C3)ccc2O1 ZINC000019497927 570990567 /nfs/dbraw/zinc/99/05/67/570990567.db2.gz SHPAOOXBTXFXTM-WBVHZDCISA-N 1 0 392.503 2.808 40 0 GFABRO CC[C@H](Oc1ccccc1OC)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019499443 570991952 /nfs/dbraw/zinc/99/19/52/570991952.db2.gz RDDWIBNAJPGLLH-ROUUACIJSA-N 1 0 396.491 2.652 40 0 GFABRO CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCC[C@@H](C[NH+](C)C)C3)cc2N1 ZINC000019520563 570994205 /nfs/dbraw/zinc/99/42/05/570994205.db2.gz DZGJQQSGIWBNQB-GZBFAFLISA-N 1 0 387.450 2.995 40 0 GFABRO CCc1noc(CC)c1C(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019521323 570994511 /nfs/dbraw/zinc/99/45/11/570994511.db2.gz JKIPURJEPMHZFL-AWEZNQCLSA-N 1 0 383.496 2.597 40 0 GFABRO CCCN1CCN(C(=O)C[NH3+])C[C@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O ZINC000585183584 571000518 /nfs/dbraw/zinc/00/05/18/571000518.db2.gz DSXRDKBCZOKSDD-QFIPXVFZSA-N 1 0 393.531 2.860 40 0 GFABRO CCN1CCN(C(=O)CC[NH3+])C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183635 571000526 /nfs/dbraw/zinc/00/05/26/571000526.db2.gz WHUQPQQYIHZQKT-NRFANRHFSA-N 1 0 393.531 2.860 40 0 GFABRO COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)CC2=O)cc1 ZINC000019556341 571003474 /nfs/dbraw/zinc/00/34/74/571003474.db2.gz TVKNLRTVRVWBOP-OALUTQOASA-N 1 0 399.535 2.915 40 0 GFABRO Cc1cc(C)n([C@H](C)CC(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)n1 ZINC000019572731 571010812 /nfs/dbraw/zinc/01/08/12/571010812.db2.gz WKWUZCRYGOZGCC-QGZVFWFLSA-N 1 0 396.539 2.635 40 0 GFABRO COCCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019593308 571019716 /nfs/dbraw/zinc/01/97/16/571019716.db2.gz NFULLNIMVQLMOE-NHCUHLMSSA-N 1 0 398.478 2.909 40 0 GFABRO Cc1nc2cc(NC(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)ccc2n1C1CCCCC1 ZINC000019663703 571026906 /nfs/dbraw/zinc/02/69/06/571026906.db2.gz HWHIFHBWVXLIAC-INIZCTEOSA-N 1 0 397.523 2.986 40 0 GFABRO C[NH+](C)CC(=O)N1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019696243 571030181 /nfs/dbraw/zinc/03/01/81/571030181.db2.gz FRWREPXCDCRBLF-HXUWFJFHSA-N 1 0 387.499 2.531 40 0 GFABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(Cc3ccc(F)cc3)CCN21 ZINC000253395442 212136118 /nfs/dbraw/zinc/13/61/18/212136118.db2.gz BXHHKDAEPSDNFU-GOTSBHOMSA-N 1 0 383.511 2.579 40 0 biogenic,in-vitro GFABRO COc1ccccc1N1CCN(C(=O)C[NH+]2CCC(c3ccncc3)CC2)CC1 ZINC000012117353 221152064 /nfs/dbraw/zinc/15/20/64/221152064.db2.gz QVSMOLGSCWOVGH-UHFFFAOYSA-N 1 0 394.519 2.618 40 0 GFABRO CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)cc1 ZINC000012124801 221156185 /nfs/dbraw/zinc/15/61/85/221156185.db2.gz JYLJCHOMKQFRHO-DKZVUGQWSA-N 1 0 399.491 2.622 40 0 GFABRO C[C@H](O)C[N@H+](Cc1ccc(N2CCCC2=O)cc1)Cc1ccc2c(c1)OCO2 ZINC000012185771 221163692 /nfs/dbraw/zinc/16/36/92/221163692.db2.gz YWAQLHWCUUBRFF-INIZCTEOSA-N 1 0 382.460 2.925 40 0 GFABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)nc(-c2ccccc2)nc1OC ZINC000012239747 221171467 /nfs/dbraw/zinc/17/14/67/221171467.db2.gz ZCKZZJBJEWEMAA-GOSISDBHSA-N 1 0 382.508 2.994 40 0 GFABRO O=C(C1CCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019014883 221393679 /nfs/dbraw/zinc/39/36/79/221393679.db2.gz XFNYGJLWEDYEGC-MRXNPFEDSA-N 1 0 384.524 2.989 40 0 GFABRO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3CC(C)(C)CN2CCOCC2)cc1 ZINC000019084966 221396727 /nfs/dbraw/zinc/39/67/27/221396727.db2.gz ASVVRFZYHKXDGV-DETIRCLXSA-N 1 0 388.552 2.868 40 0 GFABRO C[NH+](C)CCC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000019665508 221439946 /nfs/dbraw/zinc/43/99/46/221439946.db2.gz ZQQUPBBCGHSQHG-INIZCTEOSA-N 1 0 377.916 2.883 40 0 GFABRO CC(=O)Nc1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cc1 ZINC000072339884 222230297 /nfs/dbraw/zinc/23/02/97/222230297.db2.gz OOPTZVSOMIOHHP-UHFFFAOYSA-N 1 0 375.432 2.761 40 0 GFABRO COc1ccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)N4CCOCC4)C3)n2)cc1 ZINC000072348722 222234931 /nfs/dbraw/zinc/23/49/31/222234931.db2.gz SKJUAHQDMMFGKC-LJQANCHMSA-N 1 0 395.503 2.795 40 0 GFABRO [NH3+][C@@H](C(=O)N1CCC(c2cc(Nc3ccccn3)n[nH]2)CC1)c1ccccc1 ZINC000072360777 222241492 /nfs/dbraw/zinc/24/14/92/222241492.db2.gz VKPUWQKODAYLQW-HXUWFJFHSA-N 1 0 376.464 2.954 40 0 GFABRO Cc1c2ccccc2oc1C(=O)N1CCc2nnc([C@@H]3CCCC[NH2+]3)n2CC1 ZINC000072372816 222242068 /nfs/dbraw/zinc/24/20/68/222242068.db2.gz XEQUBSIZCNWILX-INIZCTEOSA-N 1 0 379.464 2.846 40 0 GFABRO O=C(N1CCn2c(nnc2[C@@H]2CCC[NH2+]C2)C1)C1(c2ccc(F)cc2)CCCC1 ZINC000072372149 222242337 /nfs/dbraw/zinc/24/23/37/222242337.db2.gz QQLSBCZGRBREJG-MRXNPFEDSA-N 1 0 397.498 2.738 40 0 GFABRO CC(=O)N1CCc2nc([C@H]3CCC[N@H+](CCOc4ccccc4C)C3)ncc2C1 ZINC000072390878 222246624 /nfs/dbraw/zinc/24/66/24/222246624.db2.gz QKRVXISDZCIXKA-IBGZPJMESA-N 1 0 394.519 2.948 40 0 GFABRO CCN(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079393321 222304721 /nfs/dbraw/zinc/30/47/21/222304721.db2.gz QFMVQSAEJAOTKZ-IBGZPJMESA-N 1 0 375.513 2.867 40 0 GFABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Br)c1OCC(N)=O ZINC000007537924 551100873 /nfs/dbraw/zinc/10/08/73/551100873.db2.gz IGQKIYVOHLODCS-UHFFFAOYSA-N 1 0 393.281 2.920 40 0 GFABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)CC1 ZINC000049169795 560084634 /nfs/dbraw/zinc/08/46/34/560084634.db2.gz UYJZGLNGFBOQGV-INIZCTEOSA-N 1 0 393.491 2.942 40 0 biogenic,in-vitro GFABRO COC(=O)c1ccc2c(c1)CCN(c1cc(NCCCO)[nH+]c(C(C)C)n1)C2 ZINC000329053294 570215331 /nfs/dbraw/zinc/21/53/31/570215331.db2.gz VFJNMXYTUWFNNK-UHFFFAOYSA-N 1 0 384.480 2.744 40 0 GFABRO COc1ccc(CCC(=O)N(C)Cc2cc(N(C)C)nc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000019760349 570216883 /nfs/dbraw/zinc/21/68/83/570216883.db2.gz GNAWNPJTYFOARU-LJQANCHMSA-N 1 0 397.523 2.567 40 0 GFABRO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244251 570223583 /nfs/dbraw/zinc/22/35/83/570223583.db2.gz POMVQNIOTSQTOU-NRFANRHFSA-N 1 0 377.448 2.817 40 0 GFABRO COc1ccc(C[N@H+]2C[C@H]3[C@H](CC[C@@]34N=C(c3ccccc3)NC4=O)C2)cc1 ZINC000096261699 570226199 /nfs/dbraw/zinc/22/61/99/570226199.db2.gz UVDKEBGQYZCOSY-QMHWCDLVSA-N 1 0 375.472 2.852 40 0 GFABRO [NH2+]=C(NC1=N[C@H](CC(=O)Nc2ccc(F)c(F)c2)C(=O)N1)Nc1ccccc1 ZINC000022607388 570322904 /nfs/dbraw/zinc/32/29/04/570322904.db2.gz FSEDCOMRMBTFFL-CQSZACIVSA-N 1 0 386.362 2.625 40 0 GFABRO CSc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1NC(C)=O ZINC000222840264 570428501 /nfs/dbraw/zinc/42/85/01/570428501.db2.gz HPGYEOOSRPVAEM-CQSZACIVSA-N 1 0 399.582 2.767 40 0 GFABRO CS(=O)(=O)Nc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000030536187 570490459 /nfs/dbraw/zinc/49/04/59/570490459.db2.gz WALHEAQPBGBNJU-UHFFFAOYSA-N 1 0 387.505 2.584 40 0 GFABRO COc1ccc(C(=O)NC2CC[NH+](CC(=O)N3[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000004909481 570647914 /nfs/dbraw/zinc/64/79/14/570647914.db2.gz WNLKBBDUDXBGOM-CALCHBBNSA-N 1 0 387.524 2.679 40 0 GFABRO CC(=O)N1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1scnc1C)CC2 ZINC000248034230 570720479 /nfs/dbraw/zinc/72/04/79/570720479.db2.gz MWZXIIGCMZXUCI-GOSISDBHSA-N 1 0 377.554 2.939 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000257257098 570771071 /nfs/dbraw/zinc/77/10/71/570771071.db2.gz KOCNOEPMJBYNLR-CTNGQTDRSA-N 1 0 387.524 2.547 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000257280962 570774919 /nfs/dbraw/zinc/77/49/19/570774919.db2.gz ONBYQXPEGDRUHI-MJGOQNOKSA-N 1 0 377.916 2.850 40 0 GFABRO Cc1nc2cc(NC(=O)C[N@H+]3C[C@@H]4[C@@H](Cc5cnccn5)CC[C@@H]4C3)ccc2[nH]1 ZINC000257301673 570778561 /nfs/dbraw/zinc/77/85/61/570778561.db2.gz RZIVBYJMROAGOH-GPMSIDNRSA-N 1 0 390.491 2.801 40 0 GFABRO O=C(CN1CCOCC1)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100397 570924629 /nfs/dbraw/zinc/92/46/29/570924629.db2.gz MVBLOZIWSJYGGN-QFIPXVFZSA-N 1 0 389.515 2.505 40 0 GFABRO O=C(CN1C(=O)CC[C@@]12CCC[N@H+](CCc1ccccc1)CC2)N1CCCC1 ZINC000585100748 570925782 /nfs/dbraw/zinc/92/57/82/570925782.db2.gz VKECTEMAAIOOBB-HSZRJFAPSA-N 1 0 383.536 2.699 40 0 GFABRO COC[C@H]1CN(C(=O)c2ccsc2)CC12CC[NH+](C1CCOCC1)CC2 ZINC000585103903 570929787 /nfs/dbraw/zinc/92/97/87/570929787.db2.gz SYWURNPGTMLVFE-QGZVFWFLSA-N 1 0 378.538 2.728 40 0 GFABRO Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(C)c1)C2 ZINC000585104373 570933144 /nfs/dbraw/zinc/93/31/44/570933144.db2.gz LFKLBIONHOBFNX-QFIPXVFZSA-N 1 0 383.492 2.851 40 0 GFABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[NH+]4CCC(O)CC4)C3)CC2)cc1F ZINC000585104598 570933756 /nfs/dbraw/zinc/93/37/56/570933756.db2.gz RAVUGLDNRRTFMI-IBGZPJMESA-N 1 0 390.499 2.602 40 0 GFABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)s2)CC1 ZINC000585106118 570935926 /nfs/dbraw/zinc/93/59/26/570935926.db2.gz NTDLEVDQWJFQFF-OIISXLGYSA-N 1 0 389.565 2.755 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)cc1 ZINC000306129219 570938408 /nfs/dbraw/zinc/93/84/08/570938408.db2.gz HXUHJPOHYJCNCI-HSZRJFAPSA-N 1 0 388.471 2.861 40 0 GFABRO Cc1cc(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4cc(C)on4)[C@H]3C2)n(C)n1 ZINC000585109832 570938480 /nfs/dbraw/zinc/93/84/80/570938480.db2.gz YSWIUHLCLCLVMS-IRFCIJBXSA-N 1 0 391.475 2.725 40 0 GFABRO C[N@@H+]1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)C3CC(F)(F)C3)CC4)c2C1 ZINC000585110405 570938943 /nfs/dbraw/zinc/93/89/43/570938943.db2.gz QECQSTHBBBDJLI-UHFFFAOYSA-N 1 0 386.446 2.995 40 0 GFABRO Cc1ccc(OC(C)(C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000019210750 570960606 /nfs/dbraw/zinc/96/06/06/570960606.db2.gz PLUDSJRTHPBDAA-IBGZPJMESA-N 1 0 380.492 2.952 40 0 GFABRO CNc1ncc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4cccc(C)c4)n3)CC2)cn1 ZINC000019235532 570965986 /nfs/dbraw/zinc/96/59/86/570965986.db2.gz FQSCYZSLOALVPO-UHFFFAOYSA-N 1 0 390.491 2.957 40 0 GFABRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H](C)Cn3nccc3C)CC2)cc1 ZINC000019238343 570967990 /nfs/dbraw/zinc/96/79/90/570967990.db2.gz ZEPQZWPFZFKNMC-QGZVFWFLSA-N 1 0 384.524 2.865 40 0 GFABRO Cn1nc(-c2cccnc2)cc1C[NH+]1CCC(NC(=O)Cc2ccccc2)CC1 ZINC000019288984 570970923 /nfs/dbraw/zinc/97/09/23/570970923.db2.gz UECRTCFQZLBOOW-UHFFFAOYSA-N 1 0 389.503 2.805 40 0 GFABRO c1cc(CN(CCCN2CCOCC2)Cc2cccnc2)n(-c2cc[nH+]cc2)c1 ZINC000019338594 570976555 /nfs/dbraw/zinc/97/65/55/570976555.db2.gz ZCMYJKBDJCRSBV-UHFFFAOYSA-N 1 0 391.519 2.992 40 0 GFABRO CCCN1CCN(C(=O)C[NH3+])C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183589 571000662 /nfs/dbraw/zinc/00/06/62/571000662.db2.gz FLZNCXPRNXREOT-FQEVSTJZSA-N 1 0 379.504 2.552 40 0 GFABRO Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c(C)c1C ZINC000019556153 571003501 /nfs/dbraw/zinc/00/35/01/571003501.db2.gz QQWUSNZSJIRRLC-VBKZILBWSA-N 1 0 396.539 2.949 40 0 GFABRO C[NH+](C)CCn1nc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019583221 571014067 /nfs/dbraw/zinc/01/40/67/571014067.db2.gz KAEBQJXSWUAAHR-KRWDZBQOSA-N 1 0 395.482 2.691 40 0 GFABRO C=Cn1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019584196 571014772 /nfs/dbraw/zinc/01/47/72/571014772.db2.gz KSLFRXOFQUKVQL-QGZVFWFLSA-N 1 0 382.512 2.745 40 0 GFABRO C[N@@H+]1CC[C@H](c2nn(CCNC(=O)CCc3ccccc3F)c3ncccc23)C1 ZINC000019587904 571015605 /nfs/dbraw/zinc/01/56/05/571015605.db2.gz BMAKGQJUFCIKLX-KRWDZBQOSA-N 1 0 395.482 2.739 40 0 GFABRO CN(C)c1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019590445 571017954 /nfs/dbraw/zinc/01/79/54/571017954.db2.gz PNIGIWVIUSZDFU-KRWDZBQOSA-N 1 0 379.508 2.550 40 0 GFABRO CC1CCC(CNC(=O)c2ccc(Cn3cnnn3)cc2)([NH+]2CCCCC2)CC1 ZINC000019665840 571027888 /nfs/dbraw/zinc/02/78/88/571027888.db2.gz MOVVRYAIJLCAAX-UHFFFAOYSA-N 1 0 396.539 2.886 40 0 GFABRO COCCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000020503579 575370023 /nfs/dbraw/zinc/37/00/23/575370023.db2.gz CFHJNLGARGDGIY-DLBZAZTESA-N 1 0 399.466 2.582 40 0 biogenic,in-vitro GFABRO COc1ccc(OC)c(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224637072 222660220 /nfs/dbraw/zinc/66/02/20/222660220.db2.gz ASCYQKGSZZRFSW-UHFFFAOYSA-N 1 0 390.505 2.778 40 0 GFABRO CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccccc2)nn1C ZINC000008635337 291119265 /nfs/dbraw/zinc/11/92/65/291119265.db2.gz NDGOBKTUZYATTD-OTWHNJEPSA-N 1 0 381.524 2.973 40 0 biogenic,in-vitro GFABRO CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NC2CC2)no1)c1ccccc1 ZINC000012482624 291120569 /nfs/dbraw/zinc/12/05/69/291120569.db2.gz WOAQLSGWXMUQMS-IRXDYDNUSA-N 1 0 382.508 2.748 40 0 biogenic,in-vitro GFABRO CC[C@@H]1C[N@@H+]2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@H]1/C(=C/OC)C(=O)OC ZINC000254704036 212137695 /nfs/dbraw/zinc/13/76/95/212137695.db2.gz DAXYUDFNWXHGBE-GMEDPQTISA-N 1 0 384.476 2.700 40 0 GFABRO CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCC[NH+](C)C)n1 ZINC000328983245 212092728 /nfs/dbraw/zinc/09/27/28/212092728.db2.gz HFHSWCQPFUHVDU-UHFFFAOYSA-N 1 0 383.418 2.680 40 0 GFABRO Cc1c(C[NH+]2CCC3(CC2)Nc2cc(Cl)ccc2C2=NCCN23)cnn1C ZINC000012086116 221147884 /nfs/dbraw/zinc/14/78/84/221147884.db2.gz DIVNVFLAWFPGGY-UHFFFAOYSA-N 1 0 384.915 2.862 40 0 GFABRO O=C1C2=C(CN1CC[NH+]1CCCC1)NC(=O)N[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000012113457 221151619 /nfs/dbraw/zinc/15/16/19/221151619.db2.gz WUKRXURGTHMNNU-INIZCTEOSA-N 1 0 395.290 2.539 40 0 GFABRO COc1cccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)c1 ZINC000012330110 221182522 /nfs/dbraw/zinc/18/25/22/221182522.db2.gz DIXBVXAXHALXCO-VQTJNVASSA-N 1 0 385.460 2.785 40 0 GFABRO O=C1CCc2cc(S(=O)(=O)N3CCCC[C@H]3C[NH+]3CCCCC3)ccc2N1 ZINC000012362456 221184330 /nfs/dbraw/zinc/18/43/30/221184330.db2.gz LAFMMOKWZIKUSQ-KRWDZBQOSA-N 1 0 391.537 2.600 40 0 GFABRO COc1ccccc1/C=C\C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1 ZINC000012365921 221185564 /nfs/dbraw/zinc/18/55/64/221185564.db2.gz QLPVJGLMQLAYKJ-SUZKBHRPSA-N 1 0 396.491 2.530 40 0 GFABRO Cc1onc(-c2ccncc2)c1C(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000012203626 221168353 /nfs/dbraw/zinc/16/83/53/221168353.db2.gz OFXDLTINLPAALN-INIZCTEOSA-N 1 0 394.431 2.806 40 0 GFABRO Cc1nn(C)cc1S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000012239287 221171632 /nfs/dbraw/zinc/17/16/32/221171632.db2.gz ILEIFNNAOFXNKE-GOSISDBHSA-N 1 0 376.526 2.624 40 0 GFABRO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019079263 221394936 /nfs/dbraw/zinc/39/49/36/221394936.db2.gz NUQUBVNOSDOERA-KUHUBIRLSA-N 1 0 384.455 2.783 40 0 GFABRO COc1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019078787 221394958 /nfs/dbraw/zinc/39/49/58/221394958.db2.gz BJYDGOBOSGTUJJ-FOIQADDNSA-N 1 0 396.491 2.604 40 0 GFABRO COc1ccc([C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C2CC2)cc1 ZINC000019662554 221438286 /nfs/dbraw/zinc/43/82/86/221438286.db2.gz ZVOHOIUUVRKVQS-OAQYLSRUSA-N 1 0 380.492 2.723 40 0 GFABRO C[N@@H+]1CCn2c(nnc2[C@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000072374035 222242823 /nfs/dbraw/zinc/24/28/23/222242823.db2.gz LYBVMZOCDOOUGP-LJQANCHMSA-N 1 0 392.507 2.891 40 0 GFABRO Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)C(C)(C)[NH3+])C3)nc(C)n2)s1 ZINC000072382941 222246605 /nfs/dbraw/zinc/24/66/05/222246605.db2.gz YPFNREGDSAPTCX-CQSZACIVSA-N 1 0 388.541 2.812 40 0 GFABRO COc1cccc([C@H]2c3cc4c(cc3O[C@H]([NH2+]CCO)[C@@H]2C)OCO4)c1OC ZINC000073257552 222269243 /nfs/dbraw/zinc/26/92/43/222269243.db2.gz CKUCWPTUZQKDGP-SIJSFFJVSA-N 1 0 387.432 2.501 40 0 GFABRO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC[NH+](C)C)c2)cc1 ZINC000078535586 222296625 /nfs/dbraw/zinc/29/66/25/222296625.db2.gz HYPJWDXARWPAHR-UHFFFAOYSA-N 1 0 389.521 2.502 40 0 GFABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccncc2)CCN3C)s1 ZINC000096050127 222375428 /nfs/dbraw/zinc/37/54/28/222375428.db2.gz XPYAAYZILIPYEG-UHFFFAOYSA-N 1 0 384.549 2.760 40 0 GFABRO Cc1cccc2c1nc1n2[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)COC1 ZINC000096112650 222381271 /nfs/dbraw/zinc/38/12/71/222381271.db2.gz XAHRUUJMWMCURI-INIZCTEOSA-N 1 0 385.489 2.609 40 0 biogenic,in-vitro GFABRO CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C[NH3+])CO)cc1 ZINC000242543433 553088141 /nfs/dbraw/zinc/08/81/41/553088141.db2.gz JZWLTCJZSATAHA-CEXWTWQISA-N 1 0 379.909 2.780 40 0 GFABRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2Cn3c(-c4ccccc4)cnc3CO2)cc1 ZINC000096296450 560060300 /nfs/dbraw/zinc/06/03/00/560060300.db2.gz IVUXVGKYJLFXGZ-SFHVURJKSA-N 1 0 397.500 2.642 40 0 biogenic,in-vitro GFABRO COc1cc2c(cc1OC)[C@@H]([C@H]1OC(=O)c3c1ccc1c3OCO1)N(C)CC2 ZINC000030726823 560090757 /nfs/dbraw/zinc/09/07/57/560090757.db2.gz SZDGAZFTAUFFQH-OALUTQOASA-N 1 0 383.400 2.873 40 0 biogenic,in-vitro GFABRO C[NH+](C)CCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccc2)n1 ZINC000329070216 570216859 /nfs/dbraw/zinc/21/68/59/570216859.db2.gz ZEWVSYMEFOIDAR-UHFFFAOYSA-N 1 0 383.446 2.851 40 0 GFABRO CC[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 ZINC000107184827 570308744 /nfs/dbraw/zinc/30/87/44/570308744.db2.gz NSASWCPTVHBOFQ-ROUUACIJSA-N 1 0 387.505 2.518 40 0 GFABRO COc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1 ZINC000022075714 570321501 /nfs/dbraw/zinc/32/15/01/570321501.db2.gz GEBUBDWJNXUDKS-OAHLLOKOSA-N 1 0 378.900 2.988 40 0 GFABRO Cc1ccc(NC(=O)C[C@@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)c(F)c1 ZINC000022607414 570322801 /nfs/dbraw/zinc/32/28/01/570322801.db2.gz ZDUUTCBHQLLSEU-HNNXBMFYSA-N 1 0 382.399 2.794 40 0 GFABRO Cc1cc(C)n([C@@H](C)CC(=O)NC[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)n1 ZINC000022888235 570332798 /nfs/dbraw/zinc/33/27/98/570332798.db2.gz RDAZQZRCLWKNEX-UNMCSNQZSA-N 1 0 397.567 2.864 40 0 GFABRO Nc1csc(CC(=O)Nc2ccc(CC[NH2+]C[C@@H](O)c3ccccc3)cc2)n1 ZINC000521205716 570439931 /nfs/dbraw/zinc/43/99/31/570439931.db2.gz BZSURCHRZIYBHU-GOSISDBHSA-N 1 0 396.516 2.772 40 0 GFABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 ZINC000223254401 570453355 /nfs/dbraw/zinc/45/33/55/570453355.db2.gz HEZUABSYFCHVGY-PMACEKPBSA-N 1 0 392.532 2.801 40 0 GFABRO CC1CCN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000000902179 570514350 /nfs/dbraw/zinc/51/43/50/570514350.db2.gz YQLMARXZEDVMNS-UHFFFAOYSA-N 1 0 393.553 2.922 40 0 GFABRO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1 ZINC000004907532 570647485 /nfs/dbraw/zinc/64/74/85/570647485.db2.gz OMFCOUGPUWOOPU-INIZCTEOSA-N 1 0 394.479 2.624 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)NCC[NH+]2CCCCC2)[C@@H]1c1cccc(OC)c1 ZINC000257207513 570761162 /nfs/dbraw/zinc/76/11/62/570761162.db2.gz BICGXMVCGFFART-CTNGQTDRSA-N 1 0 387.524 2.597 40 0 GFABRO Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)C3(C)CC[NH+](C)CC3)C2)n1 ZINC000257231953 570765413 /nfs/dbraw/zinc/76/54/13/570765413.db2.gz GIUZAPSXUQHAEG-QGZVFWFLSA-N 1 0 397.523 2.871 40 0 GFABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C1)CCC2 ZINC000257231725 570765724 /nfs/dbraw/zinc/76/57/24/570765724.db2.gz GHYKYRUFJOMNJK-KRWDZBQOSA-N 1 0 382.508 2.988 40 0 GFABRO Cc1ncsc1C[N@H+]1CCC[C@@H](c2ccnc3c(C(=O)N(C)C)cnn32)C1 ZINC000257242407 570768375 /nfs/dbraw/zinc/76/83/75/570768375.db2.gz ICIHNJVDWPGWFF-CQSZACIVSA-N 1 0 384.509 2.576 40 0 GFABRO CC(=O)NCc1cccc(-c2cccnc2C(=O)NCC[C@H]2CCC[N@H+]2C)c1 ZINC000257266986 570772404 /nfs/dbraw/zinc/77/24/04/570772404.db2.gz MFKHWHYVIUGXPA-LJQANCHMSA-N 1 0 380.492 2.599 40 0 GFABRO Cc1nc(Nc2cc(C)nc([C@H]3CN(C(=O)C[NH+](C)C)CCO3)c2)sc1C ZINC000257290241 570776560 /nfs/dbraw/zinc/77/65/60/570776560.db2.gz QCDBWLWNDFNTJP-QGZVFWFLSA-N 1 0 389.525 2.668 40 0 GFABRO CNc1cc(CN(C)Cc2ccc(N3CCCC3=O)cc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760675 570888750 /nfs/dbraw/zinc/88/87/50/570888750.db2.gz NPQYPRMCDZKCJD-IBGZPJMESA-N 1 0 394.523 2.702 40 0 GFABRO O=C(CN1C(=O)CC[C@]12CCC[N@H+](CCc1ccccc1)CC2)N1CCCC1 ZINC000585100749 570925834 /nfs/dbraw/zinc/92/58/34/570925834.db2.gz VKECTEMAAIOOBB-QHCPKHFHSA-N 1 0 383.536 2.699 40 0 GFABRO CCN(CC)C(=O)[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585102012 570928150 /nfs/dbraw/zinc/92/81/50/570928150.db2.gz XXIYHRQGRCHKTR-NRFANRHFSA-N 1 0 396.535 2.969 40 0 GFABRO CCOc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](CC)CC2)cc1 ZINC000019528029 570928260 /nfs/dbraw/zinc/92/82/60/570928260.db2.gz SUJITQBLGPOOAQ-FQEVSTJZSA-N 1 0 384.528 2.914 40 0 GFABRO COc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(Cc4ccccc4)C3)C2)cc1 ZINC000585103328 570931995 /nfs/dbraw/zinc/93/19/95/570931995.db2.gz BFSFJWLLXRWMTC-QHCPKHFHSA-N 1 0 380.488 2.946 40 0 GFABRO O=C(c1cc(C2CC2)on1)N1CCO[C@]2(CCCC[C@@H]2[NH2+]Cc2cccnc2)C1 ZINC000306126821 570937307 /nfs/dbraw/zinc/93/73/07/570937307.db2.gz FGBOWWCWZXPYSO-RBBKRZOGSA-N 1 0 396.491 2.891 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306131050 570939425 /nfs/dbraw/zinc/93/94/25/570939425.db2.gz JVIAUTCSXBNKOV-DLBZAZTESA-N 1 0 391.450 2.974 40 0 GFABRO COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020141367 570941977 /nfs/dbraw/zinc/94/19/77/570941977.db2.gz MBOWGOUNUCZJNP-NRFANRHFSA-N 1 0 398.555 2.987 40 0 GFABRO Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019210865 570960623 /nfs/dbraw/zinc/96/06/23/570960623.db2.gz PVFLDTCQRHDXHJ-MSOLQXFVSA-N 1 0 394.519 2.946 40 0 GFABRO O=C(CCn1cnc2ccccc21)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019376699 570982305 /nfs/dbraw/zinc/98/23/05/570982305.db2.gz OSVSBAQWOMZGFK-LJQANCHMSA-N 1 0 390.491 2.616 40 0 GFABRO O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1cccn1-c1cc[nH+]cc1)C2 ZINC000019402346 570982662 /nfs/dbraw/zinc/98/26/62/570982662.db2.gz XLRNBDMJSIXTJG-UHFFFAOYSA-N 1 0 384.443 2.576 40 0 GFABRO CC1CC[NH+](CCNC(=O)C2CCN(c3ncnc4ccccc43)CC2)CC1 ZINC000019496900 570989878 /nfs/dbraw/zinc/98/98/78/570989878.db2.gz SXUYSAKVCBOXOW-UHFFFAOYSA-N 1 0 381.524 2.694 40 0 GFABRO C[C@H]1CCc2onc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@@H+](C)C4)c2C1 ZINC000019497124 570989887 /nfs/dbraw/zinc/98/98/87/570989887.db2.gz IDEOWRDIRPUADZ-SUMWQHHRSA-N 1 0 381.480 2.555 40 0 GFABRO C[C@H]1Cc2cc(CCC(=O)N3CCc4nc([C@@H]5CCC[NH2+]5)ncc4C3)ccc2O1 ZINC000019498128 570990977 /nfs/dbraw/zinc/99/09/77/570990977.db2.gz IILXNRFTHARSIB-YWZLYKJASA-N 1 0 392.503 2.742 40 0 GFABRO CC[C@@H](Oc1ccccc1OC)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019499442 570992036 /nfs/dbraw/zinc/99/20/36/570992036.db2.gz RDDWIBNAJPGLLH-ZWKOTPCHSA-N 1 0 396.491 2.652 40 0 GFABRO CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019499439 570992150 /nfs/dbraw/zinc/99/21/50/570992150.db2.gz UCKNEPMFCDSGBT-ROUUACIJSA-N 1 0 384.455 2.783 40 0 GFABRO CCCN1CCN(C(=O)C[NH3+])C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183613 571000759 /nfs/dbraw/zinc/00/07/59/571000759.db2.gz NOGDNNDHEHPHPF-IBGZPJMESA-N 1 0 397.494 2.691 40 0 GFABRO CCCN1CCN(C(=O)C[NH2+]C)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183591 571000770 /nfs/dbraw/zinc/00/07/70/571000770.db2.gz GKHNCHDOFSQMTO-NRFANRHFSA-N 1 0 393.531 2.813 40 0 GFABRO Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c(C)c1C ZINC000019556156 571003424 /nfs/dbraw/zinc/00/34/24/571003424.db2.gz QQWUSNZSJIRRLC-JLTOFOAXSA-N 1 0 396.539 2.949 40 0 GFABRO Cc1nn(CCC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c(C)c1C ZINC000019557103 571003856 /nfs/dbraw/zinc/00/38/56/571003856.db2.gz SALMJRJVUCBAFB-FQEVSTJZSA-N 1 0 396.539 2.730 40 0 GFABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 ZINC000019576040 571011671 /nfs/dbraw/zinc/01/16/71/571011671.db2.gz XHCALFYQEZPZDG-DFQSSKMNSA-N 1 0 376.504 2.724 40 0 GFABRO CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](CC2CC2)CCO1 ZINC000019580866 571013033 /nfs/dbraw/zinc/01/30/33/571013033.db2.gz SQISVCFNYPDJMM-QHCPKHFHSA-N 1 0 379.504 2.860 40 0 GFABRO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)Cc1cccnc1 ZINC000019583467 571014241 /nfs/dbraw/zinc/01/42/41/571014241.db2.gz SAMVRKHGVVPTTK-UHFFFAOYSA-N 1 0 381.455 2.505 40 0 GFABRO C[N@@H+]1CCc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)ncc2C1 ZINC000019590584 571018016 /nfs/dbraw/zinc/01/80/16/571018016.db2.gz KYIFJTRQWKKSOH-KRWDZBQOSA-N 1 0 392.912 2.644 40 0 GFABRO COCCOc1cccc(C[N@@H+]2CC[C@H](c3nnc(-c4cnccn4)o3)C2)c1 ZINC000019593781 571020363 /nfs/dbraw/zinc/02/03/63/571020363.db2.gz WWVOHEWPHSGFPZ-INIZCTEOSA-N 1 0 381.436 2.541 40 0 GFABRO CNC(=O)c1[nH]c(C2CC[NH+](Cc3ccnn3C)CC2)nc1-c1ccc(F)cc1 ZINC000019698805 571031005 /nfs/dbraw/zinc/03/10/05/571031005.db2.gz SUDSQLNVZYLKNA-UHFFFAOYSA-N 1 0 396.470 2.689 40 0 GFABRO C[N@@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)CCc2c[nH]c4ccccc24)C3)C1 ZINC000019711112 571035171 /nfs/dbraw/zinc/03/51/71/571035171.db2.gz MPOJNVWXALYWME-KRWDZBQOSA-N 1 0 392.507 2.544 40 0 GFABRO C[NH+]1CCC(c2nnc3n2CCN(C(=O)CCc2cccc(Cl)c2)C3)CC1 ZINC000019711279 571035299 /nfs/dbraw/zinc/03/52/99/571035299.db2.gz IFHFFJQHOLUVHH-UHFFFAOYSA-N 1 0 387.915 2.716 40 0 GFABRO NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000019331623 230900989 /nfs/dbraw/zinc/90/09/89/230900989.db2.gz MBLLWNGOQBJFFL-JOCHJYFZSA-N 1 0 397.544 2.661 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2ccncc2)n1 ZINC000329040818 212093085 /nfs/dbraw/zinc/09/30/85/212093085.db2.gz SGGJWPJLFUJCDY-UHFFFAOYSA-N 1 0 388.397 2.517 40 0 GFABRO O=C(NCCC[NH+]1CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000013632560 221278794 /nfs/dbraw/zinc/27/87/94/221278794.db2.gz IAIQBWBLCOMALK-UHFFFAOYSA-N 1 0 387.505 2.703 40 0 GFABRO COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019134277 221398674 /nfs/dbraw/zinc/39/86/74/221398674.db2.gz HJKJWWLCUNIABB-GOSISDBHSA-N 1 0 396.491 2.524 40 0 GFABRO COc1cc(C)ccc1OCC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019134316 221399046 /nfs/dbraw/zinc/39/90/46/221399046.db2.gz HQWOADNYNBSEJQ-GOSISDBHSA-N 1 0 396.491 2.572 40 0 GFABRO C[C@@H]1Cc2cc(CCC(=O)N3CCc4nc([C@H]5CCC[NH2+]5)ncc4C3)ccc2O1 ZINC000019498129 221416478 /nfs/dbraw/zinc/41/64/78/221416478.db2.gz IILXNRFTHARSIB-FOIQADDNSA-N 1 0 392.503 2.742 40 0 GFABRO CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019499412 221417275 /nfs/dbraw/zinc/41/72/75/221417275.db2.gz XLMPTCJXRPZZNA-ZWKOTPCHSA-N 1 0 384.455 2.783 40 0 GFABRO COc1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000064164834 222070123 /nfs/dbraw/zinc/07/01/23/222070123.db2.gz RAWOHIWYAHGABO-LDJQZATESA-N 1 0 377.444 2.966 40 0 GFABRO CN(CCO)C(=O)c1cc([C@@H]2CC[N@H+](Cc3cccnc3)C2)nc2ccccc21 ZINC000072356013 222239846 /nfs/dbraw/zinc/23/98/46/222239846.db2.gz NMCORAPZBSIQAJ-GOSISDBHSA-N 1 0 390.487 2.684 40 0 GFABRO CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1C[N@H+](CCc1ccccc1)CC2 ZINC000072372181 222242172 /nfs/dbraw/zinc/24/21/72/222242172.db2.gz OSTANGKXYVTFIZ-LJQANCHMSA-N 1 0 393.535 2.845 40 0 GFABRO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373060 222242955 /nfs/dbraw/zinc/24/29/55/222242955.db2.gz HFNYJNOHYKECIP-ROUUACIJSA-N 1 0 386.540 2.550 40 0 GFABRO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380541 222245897 /nfs/dbraw/zinc/24/58/97/222245897.db2.gz BRKRDJGNNGQUJH-MRXNPFEDSA-N 1 0 388.899 2.915 40 0 GFABRO O=C(C1CC1)N1CCC(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)CC1 ZINC000072398939 222252952 /nfs/dbraw/zinc/25/29/52/222252952.db2.gz IWXHIMCDWDNSMU-UHFFFAOYSA-N 1 0 398.532 2.506 40 0 GFABRO CC(C)[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)[C@H]4C[C@@H]4C)CC3)n2)C1 ZINC000072399208 222253125 /nfs/dbraw/zinc/25/31/25/222253125.db2.gz RLQMQYYSZBJAFA-JQHSSLGASA-N 1 0 386.540 2.720 40 0 GFABRO COc1ccc(C[NH+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)cc1F ZINC000096080852 222376123 /nfs/dbraw/zinc/37/61/23/222376123.db2.gz WMXUYNRALCOTFV-IAGOWNOFSA-N 1 0 390.480 2.587 40 0 GFABRO O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075559 222376183 /nfs/dbraw/zinc/37/61/83/222376183.db2.gz FLIIGXYNECDLFU-JTSKRJEESA-N 1 0 383.492 2.511 40 0 GFABRO CN(C)C(=O)C[NH+]1CCC(c2nc3ccc(NCc4ccccc4)cn3n2)CC1 ZINC000096267303 222406323 /nfs/dbraw/zinc/40/63/23/222406323.db2.gz FCMFXPSZFPZPLR-UHFFFAOYSA-N 1 0 392.507 2.609 40 0 GFABRO [NH3+]C[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218535308 553053824 /nfs/dbraw/zinc/05/38/24/553053824.db2.gz SDLAFJXOWAOMLD-IKGGRYGDSA-N 1 0 386.300 2.871 40 0 GFABRO CC[C@H]1C[N@@H+]2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000004692659 560199691 /nfs/dbraw/zinc/19/96/91/560199691.db2.gz DAXYUDFNWXHGBE-HLKYYGKDSA-N 1 0 384.476 2.700 40 0 biogenic,in-vitro GFABRO Cc1cc(N2CCc3ccc(Br)cc3C2)nc(NCC[NH+](C)C)n1 ZINC000328995863 563470060 /nfs/dbraw/zinc/47/00/60/563470060.db2.gz JIUAVKCDKCMAAU-UHFFFAOYSA-N 1 0 390.329 3.084 40 0 GFABRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000685939069 565132561 /nfs/dbraw/zinc/13/25/61/565132561.db2.gz KTJZQFGLFZSMKN-SJLPKXTDSA-N 1 0 375.916 2.978 40 0 GFABRO NC(=O)CC[N@@H+]1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019760999 570216673 /nfs/dbraw/zinc/21/66/73/570216673.db2.gz LVSDMSMEYUQQJF-ZDUSSCGKSA-N 1 0 395.488 2.608 40 0 GFABRO NC(=O)CC[N@@H+]1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019760996 570216931 /nfs/dbraw/zinc/21/69/31/570216931.db2.gz LVSDMSMEYUQQJF-CYBMUJFWSA-N 1 0 395.488 2.608 40 0 GFABRO Cc1c(C(=O)Nc2cc(CCc3ccccc3)ccn2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662491683 570220230 /nfs/dbraw/zinc/22/02/30/570220230.db2.gz LHILWOPPNIGISM-GOSISDBHSA-N 1 0 376.464 2.553 40 0 GFABRO CCN1CC[C@@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2ccoc2)CC3)C1=O ZINC000096262763 570226529 /nfs/dbraw/zinc/22/65/29/570226529.db2.gz FGRLCGYJIYOPBL-JOCHJYFZSA-N 1 0 387.524 2.712 40 0 GFABRO Cc1ccc(C)c(OC[C@@]2(O)C[N@H+](CC3(O)CCCCCC3)CC[C@@H]2O)c1C ZINC000585284767 570253788 /nfs/dbraw/zinc/25/37/88/570253788.db2.gz ZTQGRQUXMNDFHG-REWPJTCUSA-N 1 0 391.552 2.874 40 0 GFABRO C[NH+](C)C/C=C/C(=O)N1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000585292565 570261977 /nfs/dbraw/zinc/26/19/77/570261977.db2.gz OPOVEZFDXPAQKN-DRDHIDPGSA-N 1 0 386.525 2.576 40 0 GFABRO COc1cccc(CNCC[NH2+]C[C@@H](C)O)c1OCc1ccccc1Cl ZINC000022075188 570321364 /nfs/dbraw/zinc/32/13/64/570321364.db2.gz FRJUQWPEBYKJMO-OAHLLOKOSA-N 1 0 378.900 2.988 40 0 GFABRO CN(CC[N@H+](C)C[C@@H]1COc2ccccc2O1)C[C@@H]1COc2ccccc2O1 ZINC000022581221 570322267 /nfs/dbraw/zinc/32/22/67/570322267.db2.gz XLOCDSFWANAFJC-QZTJIDSGSA-N 1 0 384.476 2.530 40 0 GFABRO CCc1ccccc1NC(=O)C[C@@H]1N=C(NC(=[NH2+])Nc2ccccc2)NC1=O ZINC000022607362 570322832 /nfs/dbraw/zinc/32/28/32/570322832.db2.gz MRUHUAGJGQENFA-INIZCTEOSA-N 1 0 378.436 2.909 40 0 GFABRO CN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC000004537719 570382779 /nfs/dbraw/zinc/38/27/79/570382779.db2.gz HMYSJHGTAMQUGE-JLTOFOAXSA-N 1 0 384.586 2.953 40 0 GFABRO O=C(Cc1ccccc1O)NC1(C[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000685939018 570397314 /nfs/dbraw/zinc/39/73/14/570397314.db2.gz DMLIBSMWIYHSDX-UHFFFAOYSA-N 1 0 383.467 2.545 40 0 GFABRO CC[NH+](CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006269563 570474795 /nfs/dbraw/zinc/47/47/95/570474795.db2.gz LZSPRSMGDHHKOH-UHFFFAOYSA-N 1 0 389.521 2.867 40 0 GFABRO COc1cc([C@@H](C)c2cc3c(cc2OCC[NH3+])OCO3)cc(OC)c1OC ZINC000006443255 570480337 /nfs/dbraw/zinc/48/03/37/570480337.db2.gz LIGUTTHNIDGGCQ-GFCCVEGCSA-N 1 0 375.421 2.930 40 0 GFABRO COC[C@@H]1C[N@H+](Cc2cccs2)CC12CCN(C(=O)c1cocn1)CC2 ZINC000247885401 570717347 /nfs/dbraw/zinc/71/73/47/570717347.db2.gz RJYPPELGTYRUJK-HNNXBMFYSA-N 1 0 375.494 2.737 40 0 GFABRO CNC(=O)c1cnn2c1nccc2[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000257199605 570759547 /nfs/dbraw/zinc/75/95/47/570759547.db2.gz AABYJNPRDNFCBT-HNNXBMFYSA-N 1 0 388.475 2.950 40 0 GFABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)c4nonc4N)C3)c2)c1 ZINC000257207887 570761212 /nfs/dbraw/zinc/76/12/12/570761212.db2.gz BJUGLSYIEXNITK-CYBMUJFWSA-N 1 0 394.435 2.737 40 0 GFABRO COC[C@H](C)NC(=O)CN1CCC(c2cc(Nc3ccccn3)cc(C)[nH+]2)CC1 ZINC000257259805 570771474 /nfs/dbraw/zinc/77/14/74/570771474.db2.gz LACUKZXPOVJESI-KRWDZBQOSA-N 1 0 397.523 2.859 40 0 GFABRO O=C1N(CC2CC2)CCO[C@]12C[N@H+](Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306125899 570936756 /nfs/dbraw/zinc/93/67/56/570936756.db2.gz DFDLGRGLDMYOGS-GGAORHGYSA-N 1 0 395.478 2.828 40 0 GFABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccco3)C[C@H]1C2 ZINC000306131088 570939036 /nfs/dbraw/zinc/93/90/36/570939036.db2.gz JWDBWYNCCMBXFT-ZIAGYGMSSA-N 1 0 381.411 2.567 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](CCc3ccccc3)C[C@@H]1C2 ZINC000306138054 570943234 /nfs/dbraw/zinc/94/32/34/570943234.db2.gz RNUSJYDWUFQHLY-RBUKOAKNSA-N 1 0 387.487 2.877 40 0 GFABRO Cc1nc(C)n(CC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@H+]3C)n1 ZINC000019285746 570969653 /nfs/dbraw/zinc/96/96/53/570969653.db2.gz NUXJNSLPRWBUEW-KCZVDYSFSA-N 1 0 381.524 2.764 40 0 GFABRO O=c1cc(C[C@H]([NH2+]Cc2ccncc2)c2ccc(F)cc2)nc(N2CCCC2)[nH]1 ZINC000019332508 570975437 /nfs/dbraw/zinc/97/54/37/570975437.db2.gz NLMWQFJGYJDHQL-FQEVSTJZSA-N 1 0 393.466 2.978 40 0 GFABRO O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019336673 570976650 /nfs/dbraw/zinc/97/66/50/570976650.db2.gz XWQBINUPYJOEDD-SFHVURJKSA-N 1 0 393.422 2.894 40 0 GFABRO O=C(C[NH+]1CCCCC1)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 ZINC000019369315 570980657 /nfs/dbraw/zinc/98/06/57/570980657.db2.gz DMJRLICNUHHUCB-HXUWFJFHSA-N 1 0 394.519 2.923 40 0 GFABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000019448291 570984542 /nfs/dbraw/zinc/98/45/42/570984542.db2.gz GBECETCYTDXDQS-GOSISDBHSA-N 1 0 384.455 2.653 40 0 GFABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019499436 570991987 /nfs/dbraw/zinc/99/19/87/570991987.db2.gz BSXALHGRFBSHAG-WOJBJXKFSA-N 1 0 396.491 2.652 40 0 GFABRO CCOc1ccccc1C(=O)N1CCc2nc(C3CC[NH+](C)CC3)ncc2C1 ZINC000019520133 570993301 /nfs/dbraw/zinc/99/33/01/570993301.db2.gz AATDGJXRMFVTFP-UHFFFAOYSA-N 1 0 380.492 2.883 40 0 GFABRO CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CC[N@H+](Cc2ccccc2)CC1 ZINC000019503741 570993697 /nfs/dbraw/zinc/99/36/97/570993697.db2.gz GQNWXYBFYKTXLH-UHFFFAOYSA-N 1 0 390.487 2.595 40 0 GFABRO CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1OC ZINC000019533698 570999795 /nfs/dbraw/zinc/99/97/95/570999795.db2.gz OAAVBCNEPSPULD-VSOVRNOCSA-N 1 0 385.508 2.947 40 0 GFABRO CCCN1CCN(C(=O)CC[NH3+])C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183644 571001227 /nfs/dbraw/zinc/00/12/27/571001227.db2.gz YEVLGHUJELREGM-OAQYLSRUSA-N 1 0 393.531 2.942 40 0 GFABRO Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c(C)c1C ZINC000019556161 571003585 /nfs/dbraw/zinc/00/35/85/571003585.db2.gz DZQMUBHFEAZSIZ-YJYMSZOUSA-N 1 0 382.512 2.559 40 0 GFABRO Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019577606 571012200 /nfs/dbraw/zinc/01/22/00/571012200.db2.gz BTPVVGWESJLHBQ-HNNXBMFYSA-N 1 0 390.500 2.924 40 0 GFABRO C[NH+](C)[C@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccc2c(c1)OCO2 ZINC000019581497 571013423 /nfs/dbraw/zinc/01/34/23/571013423.db2.gz LNMSTCIERDYWNW-GOSISDBHSA-N 1 0 396.422 2.773 40 0 GFABRO C=Cn1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019584201 571014692 /nfs/dbraw/zinc/01/46/92/571014692.db2.gz KSLFRXOFQUKVQL-KRWDZBQOSA-N 1 0 382.512 2.745 40 0 GFABRO COc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1F ZINC000019590415 571017930 /nfs/dbraw/zinc/01/79/30/571017930.db2.gz VVSMSEBAEVZHPD-INIZCTEOSA-N 1 0 398.482 2.561 40 0 GFABRO C[N@@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc4ccccc4o2)CC3)C1 ZINC000019709294 571033826 /nfs/dbraw/zinc/03/38/26/571033826.db2.gz VPOKULJJXWFTQU-INIZCTEOSA-N 1 0 379.464 2.532 40 0 GFABRO COc1ccc(CN(C)Cc2nc([C@H]3CCC[NH2+]C3)cc(N(C)C)n2)c(OC)c1 ZINC000019709993 571034008 /nfs/dbraw/zinc/03/40/08/571034008.db2.gz DQATUMMZTYSZKI-INIZCTEOSA-N 1 0 399.539 2.659 40 0 GFABRO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccccc2F)C3)c(OC)n1 ZINC000012180999 204378632 /nfs/dbraw/zinc/37/86/32/204378632.db2.gz DNBJCXMGEJKEOP-GWTOYCKXSA-N 1 0 387.455 2.753 40 0 GFABRO COc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1OC ZINC000012327785 204398299 /nfs/dbraw/zinc/39/82/99/204398299.db2.gz PVARSQROVYTHOI-SFHVURJKSA-N 1 0 375.440 2.860 40 0 GFABRO O=C1CCCN1c1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012327630 204398335 /nfs/dbraw/zinc/39/83/35/204398335.db2.gz JWFBNGAGEKTXOP-NRFANRHFSA-N 1 0 398.478 2.970 40 0 GFABRO O=C(c1cc(-c2ccccc2F)no1)N1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1 ZINC000019368337 204640393 /nfs/dbraw/zinc/64/03/93/204640393.db2.gz FMIWTOAHLHYNLZ-ZDUSSCGKSA-N 1 0 393.422 2.546 40 0 GFABRO CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019499452 204647944 /nfs/dbraw/zinc/64/79/44/204647944.db2.gz BHCPOGNMTHWJNY-HNAYVOBHSA-N 1 0 398.482 2.825 40 0 GFABRO c1ccc2c(c1)nc1n2[C@@]2([NH+]3CCOCC3)CCCC[C@H]2[C@@H]1N1CCOCC1 ZINC000051002516 205131684 /nfs/dbraw/zinc/13/16/84/205131684.db2.gz NNKLHIKTXJPZQM-XJABCFGWSA-N 1 0 382.508 2.598 40 0 GFABRO CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1C[N@H+](CCc1ccccc1)CC2 ZINC000072372180 205337301 /nfs/dbraw/zinc/33/73/01/205337301.db2.gz OSTANGKXYVTFIZ-IBGZPJMESA-N 1 0 393.535 2.845 40 0 GFABRO O=C(C[NH+]1CCCC1)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)n[nH]1 ZINC000072378341 205339215 /nfs/dbraw/zinc/33/92/15/205339215.db2.gz RMBHUJYNIHFQEM-FQEVSTJZSA-N 1 0 386.471 2.930 40 0 GFABRO CC(C)[N@@H+]1CCc2nc(C3CCN(C(=O)C4[C@@H]5CCCC[C@H]45)CC3)[nH]c(=O)c2C1 ZINC000072398712 205343744 /nfs/dbraw/zinc/34/37/44/205343744.db2.gz CEZGFZZIOVKERE-XEWABKELSA-N 1 0 398.551 2.679 40 0 GFABRO Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC[NH+](C)C)c2)c1 ZINC000224138337 206014060 /nfs/dbraw/zinc/01/40/60/206014060.db2.gz GOQKNQVQJOCFJZ-UHFFFAOYSA-N 1 0 389.521 2.502 40 0 GFABRO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccsc3)C[C@@H]12 ZINC000247502462 206133334 /nfs/dbraw/zinc/13/33/34/206133334.db2.gz FXEJWHSMKKIATG-RTBURBONSA-N 1 0 376.547 2.926 40 0 GFABRO CN(c1ccc(F)cc1)[C@H]1COC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC000257287751 206173927 /nfs/dbraw/zinc/17/39/27/206173927.db2.gz PRJFFOUREWAOQQ-LJQANCHMSA-N 1 0 375.488 2.508 40 0 GFABRO CCOC(=O)[C@@]12C[NH2+]CC[C@@H]1O[C@@H]1c3cc(OC)ccc3OC(C)(C)[C@H]1C2 ZINC000257310091 206176842 /nfs/dbraw/zinc/17/68/42/206176842.db2.gz UDQMTXUWGKOQFH-JWVYWZTKSA-N 1 0 375.465 2.855 40 0 GFABRO O=C(c1ccc2[nH]cnc2c1)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257247263 206167020 /nfs/dbraw/zinc/16/70/20/206167020.db2.gz IYEOVXHQCHDUBG-LJQANCHMSA-N 1 0 392.450 2.651 40 0 GFABRO Cc1ncc(-c2cc(CC3CC[NH+](CC4(O)CCOCC4)CC3)ccn2)n1C ZINC000257247878 206167138 /nfs/dbraw/zinc/16/71/38/206167138.db2.gz JAYVBRUGTULSOB-UHFFFAOYSA-N 1 0 384.524 2.587 40 0 GFABRO Cc1cc(-c2nccn2C)nc([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)n1 ZINC000257255709 206167561 /nfs/dbraw/zinc/16/75/61/206167561.db2.gz KINUCQHRFKPLCG-GOSISDBHSA-N 1 0 396.539 2.768 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)NCCC[NH+]2CCCC2)[C@@H]1c1ccc(OC)cc1 ZINC000257270269 206169249 /nfs/dbraw/zinc/16/92/49/206169249.db2.gz MTLNNDUUWKWCKW-CTNGQTDRSA-N 1 0 387.524 2.597 40 0 GFABRO COCCN1CC[C@@]2(C[N@H+](Cc3ccoc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306140952 206205736 /nfs/dbraw/zinc/20/57/36/206205736.db2.gz VHMMBLHRYJUDKO-NQIIRXRSSA-N 1 0 386.496 2.522 40 0 GFABRO COC(=O)N1Cc2nnc(C)n2C2(CC[NH+](Cc3cc(C)cc(C)c3)CC2)C1 ZINC000306141714 206206953 /nfs/dbraw/zinc/20/69/53/206206953.db2.gz WEMLZOVZWNULNZ-UHFFFAOYSA-N 1 0 383.496 2.777 40 0 GFABRO O[C@H](COCCOc1ccc(F)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000041690270 206196024 /nfs/dbraw/zinc/19/60/24/206196024.db2.gz RSIYMMMXSLSRFV-FQEVSTJZSA-N 1 0 392.446 2.543 40 0 GFABRO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306124014 206197710 /nfs/dbraw/zinc/19/77/10/206197710.db2.gz BDBPGRQWSJNXBW-GJZGRUSLSA-N 1 0 385.899 2.518 40 0 GFABRO CN1CC2(CC[NH+](Cc3ccccn3)CC2)c2nn(CC3CCC3)cc2C1=O ZINC000306128929 206198272 /nfs/dbraw/zinc/19/82/72/206198272.db2.gz HOPHOXWQMPUUEC-UHFFFAOYSA-N 1 0 379.508 2.698 40 0 GFABRO C[NH+](C)CCNC(=O)c1nc(-c2ccn(Cc3ccccn3)c2)n2ccccc12 ZINC000306129004 206199922 /nfs/dbraw/zinc/19/99/22/206199922.db2.gz HRBZXBHSSBIMFH-UHFFFAOYSA-N 1 0 388.475 2.538 40 0 GFABRO CC1(C)CC(NC(=O)C(=O)Nc2ccccc2Br)CC(C)(C)[NH2+]1 ZINC000042645668 551139570 /nfs/dbraw/zinc/13/95/70/551139570.db2.gz ILUWFMZBPZCCPP-UHFFFAOYSA-N 1 0 382.302 2.813 40 0 GFABRO CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2C[N@@H+](C3CCCCC3)CCN21 ZINC000253405238 560040240 /nfs/dbraw/zinc/04/02/40/560040240.db2.gz SCIKGCNJOOTLKA-IBGZPJMESA-N 1 0 391.581 2.788 40 0 biogenic,in-vitro GFABRO CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CC[N@H+](Cc1ccsc1)C2 ZINC000096077315 570209811 /nfs/dbraw/zinc/20/98/11/570209811.db2.gz DGPYVZGCCIETLL-SFHVURJKSA-N 1 0 375.519 2.649 40 0 GFABRO Cn1cccc1C[N@@H+]1CCOCC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000096078178 570209932 /nfs/dbraw/zinc/20/99/32/570209932.db2.gz IXSCMGFFZXDGOK-UHFFFAOYSA-N 1 0 385.483 2.919 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2c(F)ccc(F)c2F)cc(-c2cccnc2)n1 ZINC000328982126 570210477 /nfs/dbraw/zinc/21/04/77/570210477.db2.gz GYEMFILYGJGAPY-UHFFFAOYSA-N 1 0 388.397 2.517 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2c(F)cccc2F)cc(-c2ccccn2)n1 ZINC000329001436 570211585 /nfs/dbraw/zinc/21/15/85/570211585.db2.gz KEHOSBOBDHFYCL-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO COCC[NH+]1CCN(c2ccc3ccc(C(=O)NCc4ccc(C)o4)cn32)CC1 ZINC000096155911 570216575 /nfs/dbraw/zinc/21/65/75/570216575.db2.gz IOMMTGFYEHITLU-UHFFFAOYSA-N 1 0 396.491 2.539 40 0 GFABRO Cc1ccc(Cl)cc1N1CCN(C(=O)c2c[nH]nc2C2CC[NH2+]CC2)CC1 ZINC000015722122 570218338 /nfs/dbraw/zinc/21/83/38/570218338.db2.gz UQAVYCDNTSDVGO-UHFFFAOYSA-N 1 0 387.915 2.801 40 0 GFABRO Cc1nc(-c2cc(C(=O)NCC[NH+](C)C)c3ccccn23)cn1-c1ccccn1 ZINC000096266832 570227189 /nfs/dbraw/zinc/22/71/89/570227189.db2.gz LHHOAWOPBUZYES-UHFFFAOYSA-N 1 0 388.475 2.787 40 0 GFABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2CC1(O)CCN(c2ccccc2F)CC1 ZINC000585285100 570254297 /nfs/dbraw/zinc/25/42/97/570254297.db2.gz WAPADKVZWASNRJ-NHCUHLMSSA-N 1 0 389.515 2.632 40 0 GFABRO C[N@@H+](Cc1ccc(OCCN2CCCC2=O)cc1)C[C@H](O)COc1ccccc1 ZINC000257206775 570487213 /nfs/dbraw/zinc/48/72/13/570487213.db2.gz BEVUXJGFJVJNRZ-FQEVSTJZSA-N 1 0 398.503 2.560 40 0 GFABRO CC[NH+](CC)CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000034871518 570545802 /nfs/dbraw/zinc/54/58/02/570545802.db2.gz MYEIGEWTMIECBB-UHFFFAOYSA-N 1 0 376.478 2.986 40 0 GFABRO CCCCNC(=S)N(CC[NH+](C)C)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000004133594 570618180 /nfs/dbraw/zinc/61/81/80/570618180.db2.gz LAWJJQYGTQTGQY-UHFFFAOYSA-N 1 0 390.553 2.575 40 0 GFABRO Cc1ccc(OCC(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000006613738 570747638 /nfs/dbraw/zinc/74/76/38/570747638.db2.gz BDWSBKWYLHJMNG-UHFFFAOYSA-N 1 0 398.532 2.639 40 0 GFABRO CC(C)c1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)cc1 ZINC000013674613 570771709 /nfs/dbraw/zinc/77/17/09/570771709.db2.gz CEIGHLNJHFTOCL-UHFFFAOYSA-N 1 0 395.569 2.568 40 0 GFABRO CC[N@H+](C)[C@H]1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C2(C1)CCCCC2 ZINC000019704007 570896676 /nfs/dbraw/zinc/89/66/76/570896676.db2.gz JODYUUMDZLYGAU-GOSISDBHSA-N 1 0 392.565 2.888 40 0 GFABRO O=C(Nc1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+]3C[C@H]3CCCO3)C2)cc1)C1CC1 ZINC000585102253 570930118 /nfs/dbraw/zinc/93/01/18/570930118.db2.gz VNFNPYTTZNSPTE-NFBKMPQASA-N 1 0 397.519 2.895 40 0 GFABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(C)c2)CC1 ZINC000585106336 570936477 /nfs/dbraw/zinc/93/64/77/570936477.db2.gz XFNFIOBTHWIQRB-RLLQIKCJSA-N 1 0 383.536 2.836 40 0 GFABRO C[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc(C3CC[NH+](C)CC3)ncc2C1 ZINC000019079479 570955707 /nfs/dbraw/zinc/95/57/07/570955707.db2.gz CXPMOVBPKMCQAU-OAHLLOKOSA-N 1 0 398.482 2.777 40 0 GFABRO O=C(CCOc1ccc(Cl)cc1)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019335886 570976103 /nfs/dbraw/zinc/97/61/03/570976103.db2.gz JHSGHGBOVFSZME-SFHVURJKSA-N 1 0 386.883 2.908 40 0 GFABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3cccc(F)c3)[nH]c(=O)c2C1 ZINC000019448269 570984453 /nfs/dbraw/zinc/98/44/53/570984453.db2.gz LPDRHVHJQOIAIF-IBGZPJMESA-N 1 0 398.482 2.582 40 0 GFABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019499406 570991523 /nfs/dbraw/zinc/99/15/23/570991523.db2.gz SJERYABBIIQIHU-WOJBJXKFSA-N 1 0 396.491 2.652 40 0 GFABRO COc1cccc(OC)c1C[N@@H+]1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 ZINC000019567012 571007917 /nfs/dbraw/zinc/00/79/17/571007917.db2.gz JZHPXLKVLVRKMY-MRXNPFEDSA-N 1 0 392.459 2.839 40 0 GFABRO Cc1cc(C)cc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019569752 571009686 /nfs/dbraw/zinc/00/96/86/571009686.db2.gz HWHAFWVCNSMBSX-MSOLQXFVSA-N 1 0 394.519 2.913 40 0 GFABRO COc1ccc(CN2CCc3nc([C@H]4CCC[N@H+](C)C4)ncc3C2)cc1OC ZINC000019588676 571016330 /nfs/dbraw/zinc/01/63/30/571016330.db2.gz WXQCPDGJSUVQJL-KRWDZBQOSA-N 1 0 382.508 2.861 40 0 GFABRO COc1ccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c(OC)c1 ZINC000019590446 571017917 /nfs/dbraw/zinc/01/79/17/571017917.db2.gz DIUCPFKEOCKEQZ-OAHLLOKOSA-N 1 0 396.491 2.502 40 0 GFABRO COc1cccc(-c2ccc(C(=O)N3CCC(CC[NH+](C)C)CC3)c(=O)[nH]2)c1 ZINC000019660142 571025558 /nfs/dbraw/zinc/02/55/58/571025558.db2.gz CIEUVKRXJSEBBK-UHFFFAOYSA-N 1 0 383.492 2.854 40 0 GFABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(C(=O)NC)nc2)cn1 ZINC000019691809 571029789 /nfs/dbraw/zinc/02/97/89/571029789.db2.gz WFSUZKKJWAWWAC-FQEVSTJZSA-N 1 0 395.507 2.509 40 0 GFABRO Cc1ccc2oc(C(=O)N3CCc4nnc([C@@H]5CCC[N@@H+](C)C5)n4CC3)cc2c1 ZINC000019709273 571033703 /nfs/dbraw/zinc/03/37/03/571033703.db2.gz UNSCLXHBTLAHJQ-MRXNPFEDSA-N 1 0 393.491 2.840 40 0 GFABRO Cc1cccc2[nH]c(C(=O)N3CCc4nnc([C@@H]5CCC[N@@H+](C)C5)n4CC3)cc21 ZINC000019709271 571033844 /nfs/dbraw/zinc/03/38/44/571033844.db2.gz FHJSVKGWLBPPOO-MRXNPFEDSA-N 1 0 392.507 2.576 40 0 GFABRO Cc1cn2c(ncc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCC3)c2=O)s1 ZINC000019717086 571039218 /nfs/dbraw/zinc/03/92/18/571039218.db2.gz DYQOWTPNSSTTNW-SFHVURJKSA-N 1 0 396.516 2.940 40 0 GFABRO CCN1CC[C@@]2(CN(C(C)=O)CC23CC[NH+](Cc2ccc(C)s2)CC3)C1=O ZINC000096036499 571096594 /nfs/dbraw/zinc/09/65/94/571096594.db2.gz JHJYTCUUOZIUIY-OAQYLSRUSA-N 1 0 389.565 2.739 40 0 GFABRO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1cccnc1)CCC2 ZINC000096056048 571097913 /nfs/dbraw/zinc/09/79/13/571097913.db2.gz OASQPVYPILFTSS-UGKGYDQZSA-N 1 0 380.492 2.758 40 0 GFABRO C[NH+](C)CCCNc1nc(NCc2cc(F)cc(F)c2)cc(C(F)(F)F)n1 ZINC000329014882 203769839 /nfs/dbraw/zinc/76/98/39/203769839.db2.gz MZIFLMBADGJVGG-UHFFFAOYSA-N 1 0 389.372 2.593 40 0 GFABRO C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(O)cc1 ZINC000008373800 204274140 /nfs/dbraw/zinc/27/41/40/204274140.db2.gz WHUXLOHNPIBBOP-LJQANCHMSA-N 1 0 378.428 2.996 40 0 GFABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)OCCO2 ZINC000012293388 204389032 /nfs/dbraw/zinc/38/90/32/204389032.db2.gz OLURAHSSWPUPKF-OALUTQOASA-N 1 0 397.471 2.842 40 0 GFABRO CCOc1cc(C[NH+]2CCC(O)(c3cccc(C)c3)CC2)ccc1OCC(N)=O ZINC000012293031 204389060 /nfs/dbraw/zinc/38/90/60/204389060.db2.gz RVRJJOWFOMTTTF-UHFFFAOYSA-N 1 0 398.503 2.741 40 0 GFABRO COc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012292249 204389521 /nfs/dbraw/zinc/38/95/21/204389521.db2.gz GAWRQWNBTDLIEK-LJQANCHMSA-N 1 0 399.487 2.874 40 0 GFABRO O=C(c1cc(-c2ccc(F)cc2)no1)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019336683 204637384 /nfs/dbraw/zinc/63/73/84/204637384.db2.gz QIDBSOATDLKXAA-QGZVFWFLSA-N 1 0 393.422 2.894 40 0 GFABRO O=C([C@@H]1CC(=O)N(Cc2cccnc2)C1)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019338779 204638013 /nfs/dbraw/zinc/63/80/13/204638013.db2.gz SPQMOLBGUTZBLL-NHCUHLMSSA-N 1 0 398.551 2.687 40 0 GFABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccc3c(c2)OCCCO3)C1 ZINC000036741286 205021741 /nfs/dbraw/zinc/02/17/41/205021741.db2.gz FQQOAKRNTCAAEB-WMZHIEFXSA-N 1 0 399.487 2.874 40 0 GFABRO C[NH+](C)CCCn1ccc2nc3ncnn3c(-c3ccc(Cl)cc3)c2c1=O ZINC000038828837 205038699 /nfs/dbraw/zinc/03/86/99/205038699.db2.gz XWEZRWURSZBMCT-UHFFFAOYSA-N 1 0 382.855 2.711 40 0 GFABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(F)cc3)C2)CC1 ZINC000072346251 205329208 /nfs/dbraw/zinc/32/92/08/205329208.db2.gz XKWNPYHKUWTZMA-QGZVFWFLSA-N 1 0 397.498 2.913 40 0 GFABRO Cc1ccc(O[C@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000072390767 205341770 /nfs/dbraw/zinc/34/17/70/205341770.db2.gz RUBDUIZSCNFHGY-UZLBHIALSA-N 1 0 380.492 2.952 40 0 GFABRO Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000072390948 205342663 /nfs/dbraw/zinc/34/26/63/205342663.db2.gz MRCBNJSGXHQYFB-DLBZAZTESA-N 1 0 380.492 2.523 40 0 GFABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)CN1CCCC1=O)[C@H]2Cc1ccccc1 ZINC000257222394 206161530 /nfs/dbraw/zinc/16/15/30/206161530.db2.gz DTCUBSLIUFEQGU-ROLQDKDTSA-N 1 0 395.547 2.694 40 0 GFABRO COc1cccc(OC)c1OCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@@H+]2C ZINC000257284018 206173432 /nfs/dbraw/zinc/17/34/32/206173432.db2.gz PAXKJAXBTDVVPU-RXVVDRJESA-N 1 0 376.497 2.948 40 0 GFABRO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1N1CCCCC1 ZINC000257266491 206169557 /nfs/dbraw/zinc/16/95/57/206169557.db2.gz MDFUFAFYDMGPLM-HSZRJFAPSA-N 1 0 392.547 2.849 40 0 GFABRO CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C[NH+](C)C)CC1 ZINC000257270980 206170444 /nfs/dbraw/zinc/17/04/44/206170444.db2.gz MWJZZHQOAQKWJL-UHFFFAOYSA-N 1 0 399.560 2.874 40 0 GFABRO C[N@@H+]1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1cccc(O)c1)C2 ZINC000306131714 206200687 /nfs/dbraw/zinc/20/06/87/206200687.db2.gz KNPSTXLDZQRHPC-KRWDZBQOSA-N 1 0 381.476 2.540 40 0 GFABRO CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000306131677 206201622 /nfs/dbraw/zinc/20/16/22/206201622.db2.gz KLZYHLPAGNCKCZ-UHFFFAOYSA-N 1 0 392.482 2.916 40 0 GFABRO CC(C)C[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514288522 560034892 /nfs/dbraw/zinc/03/48/92/560034892.db2.gz BWRFWQYZPZEDSQ-RTBURBONSA-N 1 0 397.485 2.667 40 0 biogenic,in-vitro GFABRO Cc1ccc(C(C)(C)C(=O)N2CC[C@H](C(=O)NCC[NH+]3CCCCC3)C2)cc1 ZINC000019745424 570213544 /nfs/dbraw/zinc/21/35/44/570213544.db2.gz GDGOAVBJNMAQBA-IBGZPJMESA-N 1 0 385.552 2.723 40 0 GFABRO CC(C)n1c2c(nc1C(=O)N1CC[C@H]([NH+](C)C)C1)CN(Cc1ccccc1)CC2 ZINC000096147137 570214205 /nfs/dbraw/zinc/21/42/05/570214205.db2.gz WSZGDTLVTVEXKN-IBGZPJMESA-N 1 0 395.551 2.798 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2c(F)cccc2Cl)cc(-c2cccnc2)n1 ZINC000329039785 570214512 /nfs/dbraw/zinc/21/45/12/570214512.db2.gz SAGZMVMOIIVQBP-UHFFFAOYSA-N 1 0 386.862 2.892 40 0 GFABRO C[NH+](C)CCNc1nc(NCc2ccccc2Cl)cc(-c2ccncc2)n1 ZINC000329055356 570215630 /nfs/dbraw/zinc/21/56/30/570215630.db2.gz VNFOYOSTMLLCOL-UHFFFAOYSA-N 1 0 382.899 2.621 40 0 GFABRO C[NH+](C)CCNC(=O)c1c2ccccn2c2ncnc(NCc3ccccc3)c21 ZINC000096264370 570226980 /nfs/dbraw/zinc/22/69/80/570226980.db2.gz QRJLLPKUUKTHBJ-UHFFFAOYSA-N 1 0 388.475 2.786 40 0 GFABRO CC(C)(O)COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000585268825 570235236 /nfs/dbraw/zinc/23/52/36/570235236.db2.gz LBOLPSYXCRWWPE-PMACEKPBSA-N 1 0 375.440 2.600 40 0 GFABRO CCOCCOc1ccc(C[N@H+](C)C[C@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270180 570239065 /nfs/dbraw/zinc/23/90/65/570239065.db2.gz HUKZRHOWUQCKSQ-JOCHJYFZSA-N 1 0 385.508 2.570 40 0 GFABRO COc1cc(CNCC[NH2+]C[C@H](C)O)ccc1OCc1ccccc1Cl ZINC000022075110 570321372 /nfs/dbraw/zinc/32/13/72/570321372.db2.gz JAXOEZRYSLYOTA-HNNXBMFYSA-N 1 0 378.900 2.988 40 0 GFABRO CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000097758991 570573805 /nfs/dbraw/zinc/57/38/05/570573805.db2.gz UWETWKRMNKDEAU-QZTJIDSGSA-N 1 0 385.508 2.634 40 0 GFABRO COCCNC(=O)C[NH+]1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1 ZINC000004093191 570618609 /nfs/dbraw/zinc/61/86/09/570618609.db2.gz WMSJIPAQKXOUOK-UHFFFAOYSA-N 1 0 398.429 2.763 40 0 GFABRO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)c(OC)c1 ZINC000014671955 570894411 /nfs/dbraw/zinc/89/44/11/570894411.db2.gz UALIABQOEVDVNS-GOSISDBHSA-N 1 0 393.443 2.649 40 0 GFABRO O=C(NC1CC(F)(F)C1)C1=NO[C@]2(C1)CCC[N@@H+](CC1CC(F)(F)C1)C2 ZINC000585101204 570926244 /nfs/dbraw/zinc/92/62/44/570926244.db2.gz NOJPWNCKMUTBBF-HNNXBMFYSA-N 1 0 377.382 2.557 40 0 GFABRO CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 ZINC000019502122 570927268 /nfs/dbraw/zinc/92/72/68/570927268.db2.gz GMHZTUATHNAEMF-OALUTQOASA-N 1 0 376.549 2.644 40 0 GFABRO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](C[NH+]4CCCC4)C3)CC2)cc1 ZINC000585105421 570931980 /nfs/dbraw/zinc/93/19/80/570931980.db2.gz WIVBUKDCQVDEHR-OAQYLSRUSA-N 1 0 385.552 2.789 40 0 GFABRO Cc1ccc([C@@H](C)C(=O)N2CC[C@H](c3nn(CC[NH3+])c4ncccc34)C2)cc1 ZINC000019135657 570958309 /nfs/dbraw/zinc/95/83/09/570958309.db2.gz YCHAUCWKSIGHSZ-AEFFLSMTSA-N 1 0 377.492 2.818 40 0 GFABRO Cn1nc(-c2cccnc2)cc1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000019288997 570971017 /nfs/dbraw/zinc/97/10/17/570971017.db2.gz IPWGVYKGJQIIEB-UHFFFAOYSA-N 1 0 375.476 2.877 40 0 GFABRO COc1ccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)cc1 ZINC000019291337 570971809 /nfs/dbraw/zinc/97/18/09/570971809.db2.gz WJGFBUXKBPZADL-QFIPXVFZSA-N 1 0 392.503 2.833 40 0 GFABRO COc1ccccc1C[NH+]1CCN(c2ccccc2[C@@H](O)c2nccn2C)CC1 ZINC000019291348 570972184 /nfs/dbraw/zinc/97/21/84/570972184.db2.gz NRXDQVFEVSWFIP-JOCHJYFZSA-N 1 0 392.503 2.833 40 0 GFABRO CC1CCN(C(=O)CN2CCC3(CC2)Nc2ccccc2C2=[NH+]CCCN23)CC1 ZINC000019496708 570990061 /nfs/dbraw/zinc/99/00/61/570990061.db2.gz MBJDTBOURXYOLP-UHFFFAOYSA-N 1 0 395.551 2.615 40 0 GFABRO C[C@@H]1Cc2cc(C(=O)N3CCc4nc(C5CC[NH+](C)CC5)ncc4C3)ccc2O1 ZINC000019497983 570990462 /nfs/dbraw/zinc/99/04/62/570990462.db2.gz PHSKCVOYJXGFED-OAHLLOKOSA-N 1 0 392.503 2.808 40 0 GFABRO CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019499407 570992075 /nfs/dbraw/zinc/99/20/75/570992075.db2.gz SJERYABBIIQIHU-UXHICEINSA-N 1 0 396.491 2.652 40 0 GFABRO CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccncc2)c(N2CCOCC2)s1 ZINC000019526585 570997899 /nfs/dbraw/zinc/99/78/99/570997899.db2.gz LOYHIKDKSINBSU-UHFFFAOYSA-N 1 0 388.537 2.670 40 0 GFABRO COc1ccc2c(c1)C=C(CN1CCc3nc([C@@H]4CCC[NH2+]4)ncc3C1)CO2 ZINC000019562263 571005827 /nfs/dbraw/zinc/00/58/27/571005827.db2.gz LNMFEQOVCGWJOU-FQEVSTJZSA-N 1 0 378.476 2.744 40 0 GFABRO C[NH+](C)CCn1nc([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)c2cccnc21 ZINC000019583224 571014032 /nfs/dbraw/zinc/01/40/32/571014032.db2.gz HLNUJZRIGIXBIY-QGZVFWFLSA-N 1 0 395.482 2.691 40 0 GFABRO C[NH+](C)CCn1nc([C@H]2CCN(C(=O)CC3CCCCC3)C2)c2nccnc21 ZINC000019583055 571014230 /nfs/dbraw/zinc/01/42/30/571014230.db2.gz JKEPTJROHNSURG-KRWDZBQOSA-N 1 0 384.528 2.674 40 0 GFABRO CN(C)c1ccc(C(=O)NCC[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000019584815 571015252 /nfs/dbraw/zinc/01/52/52/571015252.db2.gz RCVSOTBYMZPQDH-UHFFFAOYSA-N 1 0 385.483 2.605 40 0 GFABRO COc1ccc(CCC(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)cc1 ZINC000019590669 571018700 /nfs/dbraw/zinc/01/87/00/571018700.db2.gz KKLFLVATJPLTDZ-UHFFFAOYSA-N 1 0 394.519 2.812 40 0 GFABRO O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[C@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019710623 571034594 /nfs/dbraw/zinc/03/45/94/571034594.db2.gz TXGIHMWLTJQOHX-INIZCTEOSA-N 1 0 384.871 2.536 40 0 GFABRO CCn1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCNC4)C2)c2ccc(F)cc21 ZINC000019711019 571035031 /nfs/dbraw/zinc/03/50/31/571035031.db2.gz MFKQJTZALIJZEK-HNNXBMFYSA-N 1 0 382.487 2.875 40 0 GFABRO COC[C@H]1CC2(CN1c1ncccn1)CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000096051809 571097429 /nfs/dbraw/zinc/09/74/29/571097429.db2.gz STUGPBLRTFENMN-LJQANCHMSA-N 1 0 382.508 2.993 40 0 GFABRO COc1cc(Br)c2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@H](C2)[N@@H+](C)CC[C@@]314 ZINC000004972616 204098990 /nfs/dbraw/zinc/09/89/90/204098990.db2.gz YZPIZCZVRQNQEA-VBOQLQMTSA-N 1 0 378.266 2.696 40 0 GFABRO O=c1[nH]c2c(cc1C[NH2+]CCO)c(-c1cccc(F)c1)nn2-c1ccccc1 ZINC000012146450 204375398 /nfs/dbraw/zinc/37/53/98/204375398.db2.gz OTYBJVVRTPYYCD-UHFFFAOYSA-N 1 0 378.407 2.602 40 0 GFABRO Cc1onc(-c2ccncc2)c1C(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000012203631 204381953 /nfs/dbraw/zinc/38/19/53/204381953.db2.gz OFXDLTINLPAALN-MRXNPFEDSA-N 1 0 394.431 2.806 40 0 GFABRO CC(C)[NH+]1CCC(CN(C)C(=O)Cn2c(=O)oc3cc(Cl)ccc32)CC1 ZINC000019447795 204643721 /nfs/dbraw/zinc/64/37/21/204643721.db2.gz KFSYGJCKMZRWEH-UHFFFAOYSA-N 1 0 379.888 2.827 40 0 GFABRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 ZINC000066354669 205241078 /nfs/dbraw/zinc/24/10/78/205241078.db2.gz RVEJWGYZBXCGGM-DNVCBOLYSA-N 1 0 393.491 2.707 40 0 GFABRO COCC[NH+]1CCC(Cc2nc(C)ncc2C(=O)Nc2ccc(OC)cc2)CC1 ZINC000072354981 205332485 /nfs/dbraw/zinc/33/24/85/205332485.db2.gz WRQDZOITVYNLEM-UHFFFAOYSA-N 1 0 398.507 2.947 40 0 GFABRO COCCOc1ccc(C(=O)N2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)cc1 ZINC000072390793 205340961 /nfs/dbraw/zinc/34/09/61/205340961.db2.gz FDLJERDYJHYAPI-HXUWFJFHSA-N 1 0 396.491 2.515 40 0 GFABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)c3cccs3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144185 205531706 /nfs/dbraw/zinc/53/17/06/205531706.db2.gz WEORRYXFIUWWNS-OAQYLSRUSA-N 1 0 389.565 2.791 40 0 GFABRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc2O1 ZINC000225901538 206083883 /nfs/dbraw/zinc/08/38/83/206083883.db2.gz MNZJUSUFFPHZGL-NQIIRXRSSA-N 1 0 394.471 2.866 40 0 GFABRO COCC[N@H+](C)C[C@@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000248046060 206134981 /nfs/dbraw/zinc/13/49/81/206134981.db2.gz WIIGKHDZGCHYPH-JPYJTQIMSA-N 1 0 397.519 2.824 40 0 GFABRO COC[C@@H]1CN(C(=O)c2ccco2)CC12CC[NH+](CC1CCOCC1)CC2 ZINC000247905232 206136942 /nfs/dbraw/zinc/13/69/42/206136942.db2.gz WVCKFPHJBHMROA-SFHVURJKSA-N 1 0 376.497 2.507 40 0 GFABRO COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCN(C(=O)c4ccc(OC)nc4)C[C@@H]32)cc1 ZINC000257222805 206161016 /nfs/dbraw/zinc/16/10/16/206161016.db2.gz DUSUQTQXPABSBP-VAMGGRTRSA-N 1 0 381.476 2.659 40 0 GFABRO CNC(=O)[C@@]1(C)CCCN(C(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)C1 ZINC000257273941 206171284 /nfs/dbraw/zinc/17/12/84/206171284.db2.gz NIVSEWOTLWYQAP-QHCPKHFHSA-N 1 0 394.519 2.799 40 0 GFABRO Cc1cc(Nc2cc(C3CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC3)nc(C)n2)n[nH]1 ZINC000257282166 206171689 /nfs/dbraw/zinc/17/16/89/206171689.db2.gz OSQOOAHSPZUEST-INIZCTEOSA-N 1 0 385.516 2.640 40 0 GFABRO O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCC[C@@](O)(C[NH+]2CCCC2)CC1 ZINC000257314170 206178229 /nfs/dbraw/zinc/17/82/29/206178229.db2.gz UVPLZFGWBFHUEW-NRFANRHFSA-N 1 0 386.471 2.669 40 0 GFABRO CC(=O)NCC[C@@H]1CCCN(C(=O)c2ncccc2-c2cccc(C[NH3+])c2)C1 ZINC000257255717 206168178 /nfs/dbraw/zinc/16/81/78/206168178.db2.gz KIPFYFXPXMWVCA-KRWDZBQOSA-N 1 0 380.492 2.586 40 0 GFABRO [NH3+]C[C@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252516347 553149535 /nfs/dbraw/zinc/14/95/35/553149535.db2.gz SDLAFJXOWAOMLD-BBWFWOEESA-N 1 0 386.300 2.871 40 0 GFABRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000685939070 565132506 /nfs/dbraw/zinc/13/25/06/565132506.db2.gz KTJZQFGLFZSMKN-WMZOPIPTSA-N 1 0 375.916 2.978 40 0 GFABRO O=C(Cc1cccc(F)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096078216 570209995 /nfs/dbraw/zinc/20/99/95/570209995.db2.gz VLJKOQFXPQSBDE-UHFFFAOYSA-N 1 0 397.494 2.904 40 0 GFABRO C[NH+](C)CCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccc2)n1 ZINC000329013941 570212149 /nfs/dbraw/zinc/21/21/49/570212149.db2.gz MRXPOKCVVLLBKT-UHFFFAOYSA-N 1 0 383.446 2.851 40 0 GFABRO COc1ccc(Cl)cc1Nc1cc(C(F)(F)F)nc(NCC[NH+](C)C)n1 ZINC000329018348 570212654 /nfs/dbraw/zinc/21/26/54/570212654.db2.gz NQGAWOMZMXUMRC-UHFFFAOYSA-N 1 0 389.809 2.718 40 0 GFABRO CN(C)c1nc2c(cc1C(=O)NCC1CC1)CC[N@H+](Cc1ccccc1)CC2 ZINC000096260363 570225330 /nfs/dbraw/zinc/22/53/30/570225330.db2.gz CJRVUROOTQPMJC-UHFFFAOYSA-N 1 0 378.520 2.888 40 0 GFABRO COc1cc(C[N@H+](C)C[C@H](O)COc2ccc(C)cc2C)ccc1OCCO ZINC000585262499 570230575 /nfs/dbraw/zinc/23/05/75/570230575.db2.gz GYWGMHPZQFWVLI-IBGZPJMESA-N 1 0 389.492 2.555 40 0 GFABRO CC(=O)N1CCCC[C@H]2[C@@H]1CC[N@@H+]2CC1(O)CCN(c2cccc(C)c2)CC1 ZINC000585282506 570250029 /nfs/dbraw/zinc/25/00/29/570250029.db2.gz FHLFEGUFKRZSDM-VXKWHMMOSA-N 1 0 385.552 2.802 40 0 GFABRO COc1cc(C[NH+]2CCC(c3noc(-c4cnccn4)n3)CC2)cc(OC)c1O ZINC000012187320 570621342 /nfs/dbraw/zinc/62/13/42/570621342.db2.gz LUWPXMXUBRCELF-UHFFFAOYSA-N 1 0 397.435 2.629 40 0 GFABRO CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000005949450 570737069 /nfs/dbraw/zinc/73/70/69/570737069.db2.gz KGDPPRPFSCVWNM-UHFFFAOYSA-N 1 0 398.532 2.964 40 0 GFABRO O=C(NCC[NH+]1CCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000013676734 570772136 /nfs/dbraw/zinc/77/21/36/570772136.db2.gz UHXKPZHBLWDEKW-UHFFFAOYSA-N 1 0 387.505 2.703 40 0 GFABRO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 ZINC000072341143 570880910 /nfs/dbraw/zinc/88/09/10/570880910.db2.gz FVTYKMBURSYQQQ-MGPUTAFESA-N 1 0 393.491 2.773 40 0 GFABRO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616817 570887994 /nfs/dbraw/zinc/88/79/94/570887994.db2.gz OJTCFNLXGGSEHB-OAHLLOKOSA-N 1 0 379.439 2.788 40 0 GFABRO Cc1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)n(C)n1 ZINC000585099844 570925601 /nfs/dbraw/zinc/92/56/01/570925601.db2.gz HOGHFQVSAUAQEM-OAQYLSRUSA-N 1 0 385.512 2.881 40 0 GFABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1 ZINC000585104567 570933387 /nfs/dbraw/zinc/93/33/87/570933387.db2.gz QJIQCHIWWZSYJA-HMXCVIKNSA-N 1 0 386.536 2.709 40 0 GFABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000585105994 570935364 /nfs/dbraw/zinc/93/53/64/570935364.db2.gz BCPIHPIOBLUGAV-AHRSYUTCSA-N 1 0 383.536 2.694 40 0 GFABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000585106031 570935870 /nfs/dbraw/zinc/93/58/70/570935870.db2.gz GFAGEKPXIQXZHI-IPELMVKDSA-N 1 0 387.499 2.524 40 0 GFABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccsc2)CC1 ZINC000585106313 570936498 /nfs/dbraw/zinc/93/64/98/570936498.db2.gz SJNYJINPLLQFOD-JQHSSLGASA-N 1 0 389.565 2.518 40 0 GFABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)c1 ZINC000019018401 570954830 /nfs/dbraw/zinc/95/48/30/570954830.db2.gz KYVUJIKHMRNMBX-GOSISDBHSA-N 1 0 380.492 2.769 40 0 GFABRO C[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21)N1CCCC1=O ZINC000019079546 570955906 /nfs/dbraw/zinc/95/59/06/570955906.db2.gz XDRMYYCSNATQDH-LKRGOLFISA-N 1 0 387.499 2.663 40 0 GFABRO Cc1ccc([C@H](CNC(=O)c2cc(C(C)(C)C)n3ncnc3n2)[NH+](C)C)cc1 ZINC000019136485 570959015 /nfs/dbraw/zinc/95/90/15/570959015.db2.gz NSSHBEQZWSQENG-KRWDZBQOSA-N 1 0 380.496 2.763 40 0 GFABRO COc1ccc(OC)c([C@@H](O)CN2CCC[N@H+](Cc3cccc(C)n3)CC2)c1 ZINC000019236282 570966490 /nfs/dbraw/zinc/96/64/90/570966490.db2.gz LYEKSAWWBONZQX-NRFANRHFSA-N 1 0 385.508 2.649 40 0 GFABRO COCCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1 ZINC000019291385 570972301 /nfs/dbraw/zinc/97/23/01/570972301.db2.gz FYMHMAHDLQNNEE-QIDMFYOTSA-N 1 0 385.508 2.565 40 0 GFABRO O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019336668 570976611 /nfs/dbraw/zinc/97/66/11/570976611.db2.gz XWQBINUPYJOEDD-GOSISDBHSA-N 1 0 393.422 2.894 40 0 GFABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000019500332 570992410 /nfs/dbraw/zinc/99/24/10/570992410.db2.gz MTYXFVHFGXBJAB-OAHLLOKOSA-N 1 0 390.528 2.634 40 0 GFABRO CCOc1ncccc1C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019531460 570998806 /nfs/dbraw/zinc/99/88/06/570998806.db2.gz IQPIUYYYEMZBKE-GOSISDBHSA-N 1 0 381.480 2.626 40 0 GFABRO CCOc1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)ccc1OC ZINC000019532123 570999340 /nfs/dbraw/zinc/99/93/40/570999340.db2.gz ZIZCOJSYSHHRJK-FDFHNCONSA-N 1 0 396.531 2.956 40 0 GFABRO COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccc(F)cc2F)cc2c1OCO2 ZINC000019549980 571000220 /nfs/dbraw/zinc/00/02/20/571000220.db2.gz KXCDOVKWPOXDAK-BEFAXECRSA-N 1 0 390.386 2.812 40 0 GFABRO Cc1nn(CC(=O)NCc2ccc(-c3cc(C[NH+](C)C)n(C)n3)cc2)c(C)c1C ZINC000019556661 571003530 /nfs/dbraw/zinc/00/35/30/571003530.db2.gz XKKGTPIIRBPUBV-UHFFFAOYSA-N 1 0 394.523 2.587 40 0 GFABRO CN(C(=O)CCCN1CCCC1=O)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019586712 571015755 /nfs/dbraw/zinc/01/57/55/571015755.db2.gz ACVPKEIZXCFUCP-UHFFFAOYSA-N 1 0 399.535 2.711 40 0 GFABRO Cc1nc(CC(=O)N2C[C@@H](c3ccc(C[NH3+])cc3)[C@H](c3cc[nH]n3)C2)cs1 ZINC000019698999 571031107 /nfs/dbraw/zinc/03/11/07/571031107.db2.gz LJLSDBOKQBQATD-ZWKOTPCHSA-N 1 0 381.505 2.586 40 0 GFABRO Cc1ccc2cc(C(=O)N3CCc4nnc([C@@H]5CCC[N@@H+](C)C5)n4CC3)[nH]c2c1 ZINC000019709259 571033639 /nfs/dbraw/zinc/03/36/39/571033639.db2.gz GJKOMFQYHNGYIM-QGZVFWFLSA-N 1 0 392.507 2.576 40 0 GFABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000019711430 571035592 /nfs/dbraw/zinc/03/55/92/571035592.db2.gz DXSLDOQVVUHPDG-MRXNPFEDSA-N 1 0 397.498 2.594 40 0 GFABRO Cc1ccc(C[NH+]2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3C)o1 ZINC000096036951 571096561 /nfs/dbraw/zinc/09/65/61/571096561.db2.gz KSNHPZPDJXHXIE-UHFFFAOYSA-N 1 0 380.496 2.622 40 0 GFABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000409057408 231152281 /nfs/dbraw/zinc/15/22/81/231152281.db2.gz PLQWVFWKJUXVCQ-UGYRXPJGSA-O 1 0 388.422 2.842 40 0 GFABRO CC[C@H]1C[N@@H+]2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000223283690 203791682 /nfs/dbraw/zinc/79/16/82/203791682.db2.gz DAXYUDFNWXHGBE-BRSGZFOASA-N 1 0 384.476 2.700 40 0 GFABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[NH+](CCO)CCO ZINC000004775106 204075016 /nfs/dbraw/zinc/07/50/16/204075016.db2.gz IEQZBQLFRAVFHT-FQJIPJFPSA-N 1 0 377.569 2.965 40 0 in-vitro GFABRO O=C(NCc1cccnc1)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CC[NH2+]CC1 ZINC000012088828 204371166 /nfs/dbraw/zinc/37/11/66/204371166.db2.gz KJLREVKAUNQDEU-IBGZPJMESA-N 1 0 396.466 2.790 40 0 GFABRO O=C(NC1CC[NH+](Cc2cccc(F)c2)CC1)c1cccc(-n2cnnc2)c1 ZINC000012148619 204377167 /nfs/dbraw/zinc/37/71/67/204377167.db2.gz OVJMTHAAMMLVAU-UHFFFAOYSA-N 1 0 379.439 2.801 40 0 GFABRO O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCCC[NH+]1Cc2ccccc2C1 ZINC000012193352 204380659 /nfs/dbraw/zinc/38/06/59/204380659.db2.gz KOZCRWHAKXHOLD-UHFFFAOYSA-N 1 0 385.851 2.770 40 0 GFABRO Cc1cc(CCCC(=O)N2CCc3nnc(C4CC[NH2+]CC4)n3CC2)ccc1F ZINC000019708953 204674307 /nfs/dbraw/zinc/67/43/07/204674307.db2.gz YEMWNAZKGCFPQV-UHFFFAOYSA-N 1 0 399.514 2.600 40 0 GFABRO C[NH+](C)C1(CNC(=O)c2cc(N3CCOCC3)nc3ccccc32)CCCC1 ZINC000019718093 204676649 /nfs/dbraw/zinc/67/66/49/204676649.db2.gz UBKPMFRQTIUHPC-UHFFFAOYSA-N 1 0 382.508 2.676 40 0 GFABRO Cc1nn2c(nnc3c2ccn(CC[NH+](C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395969 205063567 /nfs/dbraw/zinc/06/35/67/205063567.db2.gz GGQOLVIPLPYXSI-UHFFFAOYSA-N 1 0 382.855 2.630 40 0 GFABRO COc1cccc(-c2cncc([C@H]3CCCN(C(=O)C[NH+]4CCCC4)C3)n2)c1 ZINC000072359677 205334638 /nfs/dbraw/zinc/33/46/38/205334638.db2.gz JPXZFAUBVJUKNU-SFHVURJKSA-N 1 0 380.492 2.954 40 0 GFABRO C[N@@H+]1CCn2c(nnc2[C@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)C1 ZINC000072373879 205338429 /nfs/dbraw/zinc/33/84/29/205338429.db2.gz DZMVTRJOLQZNDV-MRXNPFEDSA-N 1 0 384.484 2.737 40 0 GFABRO CNc1cc(Nc2nccc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)ncn1 ZINC000072377624 205339196 /nfs/dbraw/zinc/33/91/96/205339196.db2.gz QZHRJQBTOHWLQR-MRXNPFEDSA-N 1 0 376.468 2.827 40 0 GFABRO CNc1cc(Nc2nccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)ncn1 ZINC000072377654 205339328 /nfs/dbraw/zinc/33/93/28/205339328.db2.gz GGLQGWILAGNNLQ-HNNXBMFYSA-N 1 0 376.468 2.827 40 0 GFABRO CCc1ncc(C[NH+]2CCC(Cc3cc(Nc4cnccn4)ncn3)CC2)cn1 ZINC000072383429 205339457 /nfs/dbraw/zinc/33/94/57/205339457.db2.gz PNCSJPPTXXEEIP-UHFFFAOYSA-N 1 0 390.495 2.817 40 0 GFABRO OC1(c2csc(CN3CCOCC3)n2)CC[NH+](CC2CCCCC2)CC1 ZINC000225467767 206051988 /nfs/dbraw/zinc/05/19/88/206051988.db2.gz VHEXFKFGTGYTON-UHFFFAOYSA-N 1 0 379.570 2.839 40 0 biogenic,in-vitro GFABRO O=C(Cc1cccc(O)c1)N1CCC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257248036 206166903 /nfs/dbraw/zinc/16/69/03/206166903.db2.gz JBTKEMJPTBKULM-DEOSSOPVSA-N 1 0 394.515 2.737 40 0 GFABRO CNC(=O)c1sc2nc([C@@]3(C)CCC[N@H+](Cc4cnccn4)C3)ccc2c1N ZINC000257264836 206169754 /nfs/dbraw/zinc/16/97/54/206169754.db2.gz LWESYJTUVNHEBJ-FQEVSTJZSA-N 1 0 396.520 2.582 40 0 GFABRO Cc1ncsc1CN1CC2(C1)C[C@H](COc1ncccc1F)CC[N@H+]2C ZINC000306132278 206201007 /nfs/dbraw/zinc/20/10/07/206201007.db2.gz LDNWWWVHUWUSNC-OAHLLOKOSA-N 1 0 376.501 2.961 40 0 GFABRO Cc1ncsc1C[N@H+]1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306132734 206201383 /nfs/dbraw/zinc/20/13/83/206201383.db2.gz LQORPFSXRMOYIO-CABCVRRESA-N 1 0 394.504 2.600 40 0 GFABRO CCN(C(=O)[C@H]1[C@@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21)C1CC[NH+](C)CC1 ZINC000012122399 221154706 /nfs/dbraw/zinc/15/47/06/221154706.db2.gz SJTCBZRVBOIBSN-RBPBXQJFSA-N 1 0 382.504 2.989 40 0 GFABRO O[C@]1(c2ccc(F)cc2)CC[C@@H]2C[N@H+](Cc3ccnc(N4CCCC4)n3)C[C@@H]21 ZINC000012124556 221155832 /nfs/dbraw/zinc/15/58/32/221155832.db2.gz BFFLNTCYXPQWCV-BUVFEPMLSA-N 1 0 382.483 2.946 40 0 GFABRO CCNC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000012602119 560091246 /nfs/dbraw/zinc/09/12/46/560091246.db2.gz QQNNHZRNCAOQPF-JQHSSLGASA-N 1 0 385.487 2.723 40 0 biogenic,in-vitro GFABRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000685939067 565132435 /nfs/dbraw/zinc/13/24/35/565132435.db2.gz KTJZQFGLFZSMKN-AEFFLSMTSA-N 1 0 375.916 2.978 40 0 GFABRO CS(=O)(=O)N1CCOC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096080327 570209880 /nfs/dbraw/zinc/20/98/80/570209880.db2.gz JOWMRIYJLZWFNQ-UHFFFAOYSA-N 1 0 376.478 2.567 40 0 GFABRO COc1ccc(C[NH+]2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)cc1F ZINC000096080851 570209922 /nfs/dbraw/zinc/20/99/22/570209922.db2.gz WMXUYNRALCOTFV-IRXDYDNUSA-N 1 0 390.480 2.587 40 0 GFABRO Cc1ccc(C)c([C@@H]2CCCN2C(=O)C2CN(C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000019747513 570214039 /nfs/dbraw/zinc/21/40/39/570214039.db2.gz NFQKMWINVAOFOS-NRFANRHFSA-N 1 0 383.536 2.767 40 0 GFABRO Cn1c2cc(C(=O)N3CC[C@@H]([NH+](C)C)C3)n(-c3ncccn3)c2c2ccccc21 ZINC000096146342 570214191 /nfs/dbraw/zinc/21/41/91/570214191.db2.gz JXMOGPUZIUQZFT-OAHLLOKOSA-N 1 0 388.475 2.688 40 0 GFABRO COc1ccc(Cl)cc1Nc1cc(-c2ccncc2)nc(NCC[NH+](C)C)n1 ZINC000329059597 570215604 /nfs/dbraw/zinc/21/56/04/570215604.db2.gz WHZHGGZDNNTWKB-UHFFFAOYSA-N 1 0 398.898 2.762 40 0 GFABRO COc1ccc(-c2ncnc3c2c(C(=O)NCC[NH+](C)C)c2ccccn23)cc1 ZINC000096264353 570227017 /nfs/dbraw/zinc/22/70/17/570227017.db2.gz QUYYWBDZDCBDHS-UHFFFAOYSA-N 1 0 389.459 2.850 40 0 GFABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2CC1(O)CCN(c2ccc(F)cc2)CC1 ZINC000585282309 570250129 /nfs/dbraw/zinc/25/01/29/570250129.db2.gz DFGLTBIITFEDGS-NHCUHLMSSA-N 1 0 389.515 2.632 40 0 GFABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CC[C@@H]3[C@H](C2)CCCCN3CC(N)=O)CC1 ZINC000585284706 570253957 /nfs/dbraw/zinc/25/39/57/570253957.db2.gz VJLBQEXHEHTEPC-PSHVLCQKSA-N 1 0 379.589 2.616 40 0 GFABRO C[NH+](C)CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020460685 570260636 /nfs/dbraw/zinc/26/06/36/570260636.db2.gz SXGCIFLNJOFOMK-UHFFFAOYSA-N 1 0 395.912 2.822 40 0 GFABRO COc1cc(COC[C@H](O)C[NH2+][C@H](C)c2ccccc2)cc(OC)c1OC ZINC000002686928 570295166 /nfs/dbraw/zinc/29/51/66/570295166.db2.gz WXONXIJDSQKEMJ-CRAIPNDOSA-N 1 0 375.465 2.941 40 0 GFABRO CCCCCC[NH+]1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 ZINC000604381965 570353151 /nfs/dbraw/zinc/35/31/51/570353151.db2.gz WXNUCOXQMNTJBN-GOSISDBHSA-N 1 0 389.515 2.617 40 0 biogenic,in-vitro GFABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)/C=C/c2ccccc2)c1 ZINC000057312856 570356161 /nfs/dbraw/zinc/35/61/61/570356161.db2.gz BOCUYFIDFHVUQQ-DHZHZOJOSA-N 1 0 379.460 2.877 40 0 GFABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3)cc2)CC1 ZINC000006517662 570482436 /nfs/dbraw/zinc/48/24/36/570482436.db2.gz XCWKPLJKBXZNKL-UHFFFAOYSA-N 1 0 398.532 2.721 40 0 GFABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCC(C)C)cc2c1 ZINC000004133435 570618289 /nfs/dbraw/zinc/61/82/89/570618289.db2.gz UNIWXXQQRPJPTM-UHFFFAOYSA-N 1 0 388.581 2.985 40 0 GFABRO CC[NH+]1CCN(c2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)CC1 ZINC000013843933 570794347 /nfs/dbraw/zinc/79/43/47/570794347.db2.gz HNXKKPYSWPIGGG-UHFFFAOYSA-N 1 0 387.534 2.814 40 0 GFABRO CC1(C)[C@H]2C[C@@H]1C(COC[C@@H](O)CN1CCN(c3nccs3)CC1)=CC2 ZINC000195563888 570843766 /nfs/dbraw/zinc/84/37/66/570843766.db2.gz DASNRJNGYIFZAE-FGTMMUONSA-N 1 0 377.554 2.635 40 0 GFABRO CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 ZINC000014607410 570893262 /nfs/dbraw/zinc/89/32/62/570893262.db2.gz VJMHLJULSQVBJT-IAQYHMDHSA-N 1 0 399.274 2.900 40 0 GFABRO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCCN2C(=O)CCC(=O)N(C)C)CC1 ZINC000585100710 570925252 /nfs/dbraw/zinc/92/52/52/570925252.db2.gz UKRVQQIEBXUZRS-NRFANRHFSA-N 1 0 390.528 2.507 40 0 GFABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218527000 570925338 /nfs/dbraw/zinc/92/53/38/570925338.db2.gz DFNOHQDZDNWXQD-LNLFQRSKSA-N 1 0 393.892 2.788 40 0 GFABRO CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 ZINC000019502124 570927354 /nfs/dbraw/zinc/92/73/54/570927354.db2.gz GMHZTUATHNAEMF-MOPGFXCFSA-N 1 0 376.549 2.644 40 0 GFABRO COc1ccccc1O[C@H](C)C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019078995 570955622 /nfs/dbraw/zinc/95/56/22/570955622.db2.gz ISWFOHMFCFPULT-CRAIPNDOSA-N 1 0 396.491 2.652 40 0 GFABRO Cc1ccc([C@H](C)C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)cc1 ZINC000019135920 570958350 /nfs/dbraw/zinc/95/83/50/570958350.db2.gz SCTPXFWAHVPNQQ-WMZOPIPTSA-N 1 0 394.519 2.576 40 0 GFABRO COc1c(C)cccc1C[N@@H+]1CC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019235917 570966046 /nfs/dbraw/zinc/96/60/46/570966046.db2.gz JPEZZPFTMQJJPW-GOSISDBHSA-N 1 0 380.492 2.688 40 0 GFABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)c2cccnc21 ZINC000019293368 570973164 /nfs/dbraw/zinc/97/31/64/570973164.db2.gz JCQMGMNSAZXZHI-INIZCTEOSA-N 1 0 397.910 2.992 40 0 GFABRO O=C(c1cc(C2CC[NH+](Cc3ccc(F)cc3)CC2)no1)N1CCC[C@H](O)C1 ZINC000019333830 570975526 /nfs/dbraw/zinc/97/55/26/570975526.db2.gz ZWXZOORKFCKEKQ-SFHVURJKSA-N 1 0 387.455 2.790 40 0 GFABRO O=C(Cc1ccc2c(c1)CCCC2)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019345691 570977646 /nfs/dbraw/zinc/97/76/46/570977646.db2.gz WASVLMXOIAJXGE-OAQYLSRUSA-N 1 0 376.504 2.907 40 0 GFABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)c3cc4c(s3)CCCC4)C2)c2cccnc21 ZINC000019346696 570978289 /nfs/dbraw/zinc/97/82/89/570978289.db2.gz YQZBZCVATCWQSA-OAHLLOKOSA-N 1 0 395.532 2.960 40 0 GFABRO C[C@@](O)(c1ccccc1)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)[NH+]1CCOCC1 ZINC000019367100 570980043 /nfs/dbraw/zinc/98/00/43/570980043.db2.gz MFDVLMOVSSULIJ-WXFUMESZSA-N 1 0 396.531 2.668 40 0 GFABRO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)no1 ZINC000019405417 570983331 /nfs/dbraw/zinc/98/33/31/570983331.db2.gz ZACNMDDMDJYBHA-SFHVURJKSA-N 1 0 377.448 2.774 40 0 GFABRO CC(C)[N@H+]1CCc2nc3cc(C(=O)N4CCCCCC4)ccc3c(=O)n2CC1 ZINC000019448605 570985090 /nfs/dbraw/zinc/98/50/90/570985090.db2.gz PLBYWCHVXCXYIM-UHFFFAOYSA-N 1 0 382.508 2.679 40 0 GFABRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019456823 570987292 /nfs/dbraw/zinc/98/72/92/570987292.db2.gz SYDAEWCUVSDSSI-LJQANCHMSA-N 1 0 397.519 2.823 40 0 GFABRO COc1ccc([C@H](O)CN2CCC([NH+]3CCC(C)CC3)CC2)cc1NC(C)=O ZINC000019496844 570989952 /nfs/dbraw/zinc/98/99/52/570989952.db2.gz LPKQWLIJIUIFGD-OAQYLSRUSA-N 1 0 389.540 2.883 40 0 GFABRO CCOc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)ccc1OC ZINC000019531895 570998982 /nfs/dbraw/zinc/99/89/82/570998982.db2.gz WSFZGMSLSWGTDR-VSOVRNOCSA-N 1 0 385.508 2.947 40 0 GFABRO COc1ccc(C[NH+]2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)cc1 ZINC000019555018 571002901 /nfs/dbraw/zinc/00/29/01/571002901.db2.gz KADOZZNXUMRXBP-GOSISDBHSA-N 1 0 399.491 2.972 40 0 GFABRO COc1ccc(C[NH+]2CCC(c3cc(C(=O)N[C@H]4CCCOC4)on3)CC2)cc1 ZINC000019555021 571003061 /nfs/dbraw/zinc/00/30/61/571003061.db2.gz KADOZZNXUMRXBP-SFHVURJKSA-N 1 0 399.491 2.972 40 0 GFABRO Cc1cn2c(ncc(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+](C)C)c2=O)s1 ZINC000019660220 571025438 /nfs/dbraw/zinc/02/54/38/571025438.db2.gz WOJKDPZOTUSNRF-HNNXBMFYSA-N 1 0 390.896 2.751 40 0 GFABRO CC(=O)N1CCC[C@H](c2nnc3n2CC[N@@H+](Cc2ccc(C)c(C)c2)CC3)C1 ZINC000019709290 571033793 /nfs/dbraw/zinc/03/37/93/571033793.db2.gz HDDJUNGYZWDZMU-FQEVSTJZSA-N 1 0 381.524 2.679 40 0 GFABRO Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2cc(C3CC[NH2+]CC3)nn2C)cc1C ZINC000019710190 571034076 /nfs/dbraw/zinc/03/40/76/571034076.db2.gz GDTVRJWVDSWKKC-KRWDZBQOSA-N 1 0 384.524 2.930 40 0 GFABRO C[N@H+]1CCc2nnc([C@H]3CCCN3C(=O)c3cc(C4CCCCC4)no3)n2CC1 ZINC000019710774 571034602 /nfs/dbraw/zinc/03/46/02/571034602.db2.gz XPYHPVFIURQDGM-QGZVFWFLSA-N 1 0 398.511 2.779 40 0 GFABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4ccc(Cl)cc4[nH]2)C3)C1 ZINC000019711007 571034723 /nfs/dbraw/zinc/03/47/23/571034723.db2.gz UTHIOONBXPXGNN-CQSZACIVSA-N 1 0 398.898 2.878 40 0 GFABRO c1ccc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CCCCC3)n2)nc1 ZINC000328960465 571047116 /nfs/dbraw/zinc/04/71/16/571047116.db2.gz AYEGGGCRONQKOC-UHFFFAOYSA-N 1 0 380.540 2.929 40 0 GFABRO COc1ccc(Nc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)cc1F ZINC000328968883 571048077 /nfs/dbraw/zinc/04/80/77/571048077.db2.gz DBAAONOPWCXHLT-UHFFFAOYSA-N 1 0 396.470 2.637 40 0 GFABRO O=C(NC1CC1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008299302 291123355 /nfs/dbraw/zinc/12/33/55/291123355.db2.gz SWJHBZOUQXDTLB-CVAIRZPRSA-N 1 0 397.548 2.559 40 0 biogenic,in-vitro GFABRO CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)SCc1ccccc1 ZINC000004899839 204089174 /nfs/dbraw/zinc/08/91/74/204089174.db2.gz SBZYLEONJJSPLZ-AWEZNQCLSA-N 1 0 380.514 2.603 40 0 GFABRO C[NH+](C)[C@H](CNC(=O)Cn1ccc2ccc(F)cc21)c1ccc2c(c1)OCO2 ZINC000012148651 204376463 /nfs/dbraw/zinc/37/64/63/204376463.db2.gz LVXSBAAKUUQMHD-GOSISDBHSA-N 1 0 383.423 2.928 40 0 GFABRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H](O)c2ccc3c(c2)OCCO3)CC1 ZINC000012188285 204379599 /nfs/dbraw/zinc/37/95/99/204379599.db2.gz INNDTIZDVBKECX-FQEVSTJZSA-N 1 0 396.487 2.619 40 0 GFABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)OCCO2 ZINC000012293390 204388758 /nfs/dbraw/zinc/38/87/58/204388758.db2.gz OLURAHSSWPUPKF-RBUKOAKNSA-N 1 0 397.471 2.842 40 0 GFABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)OCCO2 ZINC000012293386 204389728 /nfs/dbraw/zinc/38/97/28/204389728.db2.gz OLURAHSSWPUPKF-RTBURBONSA-N 1 0 397.471 2.842 40 0 GFABRO CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019499453 204647972 /nfs/dbraw/zinc/64/79/72/204647972.db2.gz BHCPOGNMTHWJNY-KXBFYZLASA-N 1 0 398.482 2.825 40 0 GFABRO CCOC(=O)C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000038854196 205040614 /nfs/dbraw/zinc/04/06/14/205040614.db2.gz PZEMSYCPGGJHLH-GOSISDBHSA-N 1 0 376.472 2.839 40 0 GFABRO Cn1nnc(-c2ccc(C(=O)N[C@@H](C[NH+]3CCCCC3)c3ccccc3)cc2)n1 ZINC000036752519 205022068 /nfs/dbraw/zinc/02/20/68/205022068.db2.gz UUHYDNFVJOLXKK-FQEVSTJZSA-N 1 0 390.491 2.834 40 0 GFABRO CCc1nc2nc3ccn(CC[NH+](C)C)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 ZINC000038828899 205038350 /nfs/dbraw/zinc/03/83/50/205038350.db2.gz UUSJXHZUJPOHFF-UHFFFAOYSA-N 1 0 396.882 2.884 40 0 GFABRO C[NH+](C)CCCn1ccc2nc3ncnn3c(-c3cccc(Cl)c3)c2c1=O ZINC000040397981 205064588 /nfs/dbraw/zinc/06/45/88/205064588.db2.gz GHZCSZVMBVSPQU-UHFFFAOYSA-N 1 0 382.855 2.711 40 0 GFABRO CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 ZINC000072339035 205327469 /nfs/dbraw/zinc/32/74/69/205327469.db2.gz SBJVCDHWJCQQIQ-UKTRLQBQSA-N 1 0 399.535 2.789 40 0 GFABRO COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c1 ZINC000072343004 205329069 /nfs/dbraw/zinc/32/90/69/205329069.db2.gz VAVFHSYGOBHXAC-NBCNXNJRSA-N 1 0 399.491 2.622 40 0 GFABRO NC(=O)c1ccc(Oc2nccnc2C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000072362867 205335352 /nfs/dbraw/zinc/33/53/52/205335352.db2.gz UGRNHNZYCOVBGW-UHFFFAOYSA-N 1 0 382.464 2.726 40 0 GFABRO CNc1cc([C@H]2CCC[N@H+](CCc3ccccc3)C2)nc(CN(C)C(C)=O)n1 ZINC000072370156 205335541 /nfs/dbraw/zinc/33/55/41/205335541.db2.gz FWWXEMZEECSGAQ-IBGZPJMESA-N 1 0 381.524 2.919 40 0 GFABRO Cc1ccc2oc(C(=O)N3CCC[C@H](c4nnc5n4CC[N@@H+](C)CC5)C3)cc2c1 ZINC000072370932 205335739 /nfs/dbraw/zinc/33/57/39/205335739.db2.gz KREUTIFGXAHXRV-INIZCTEOSA-N 1 0 393.491 2.840 40 0 GFABRO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](CCOCc1ccccc1)CC2 ZINC000072390488 205341473 /nfs/dbraw/zinc/34/14/73/205341473.db2.gz LEDWFZSMNKLCTG-UHFFFAOYSA-N 1 0 376.460 2.862 40 0 GFABRO CCOc1ccccc1C(=O)NCCn1nc([C@@H]2CC[N@H+](C)C2)c2cccnc21 ZINC000072391586 205341843 /nfs/dbraw/zinc/34/18/43/205341843.db2.gz OGFNJZPDBYAECI-MRXNPFEDSA-N 1 0 393.491 2.679 40 0 GFABRO C[NH+](C)CCOc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cn1 ZINC000225916004 206084397 /nfs/dbraw/zinc/08/43/97/206084397.db2.gz DMJJSOVDXNXYOK-UHFFFAOYSA-N 1 0 377.485 2.674 40 0 GFABRO Cc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)COC1 ZINC000096112814 206118298 /nfs/dbraw/zinc/11/82/98/206118298.db2.gz DCSGQKXMQHRCSA-INIZCTEOSA-N 1 0 385.489 2.609 40 0 biogenic,in-vitro GFABRO CNC(=O)c1cnn2c1nccc2[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000257199606 206158047 /nfs/dbraw/zinc/15/80/47/206158047.db2.gz AABYJNPRDNFCBT-OAHLLOKOSA-N 1 0 388.475 2.950 40 0 GFABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(S(=O)(=O)N(C)C)C3)c2)cc1 ZINC000257239798 206165120 /nfs/dbraw/zinc/16/51/20/206165120.db2.gz HQUYLWTZHFBLHV-HNNXBMFYSA-N 1 0 390.509 2.738 40 0 GFABRO COc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 ZINC000306139385 206205092 /nfs/dbraw/zinc/20/50/92/206205092.db2.gz SVWCZTZYFSVKMK-YADHBBJMSA-N 1 0 388.471 2.973 40 0 GFABRO C[NH+](C)C[C@H]1CC[C@]2(COCCN(Cc3ccc(O)c(C(F)(F)F)c3)C2)O1 ZINC000306123893 206196997 /nfs/dbraw/zinc/19/69/97/206196997.db2.gz AZUUJBBHGHMEAF-QAPCUYQASA-N 1 0 388.430 2.723 40 0 GFABRO O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccccn2)CC1 ZINC000306130327 206199696 /nfs/dbraw/zinc/19/96/96/206199696.db2.gz JCOTZVACDYDDLV-UHFFFAOYSA-N 1 0 394.523 2.574 40 0 GFABRO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000306130012 206199851 /nfs/dbraw/zinc/19/98/51/206199851.db2.gz ITYQRUFEZCBNLH-INIZCTEOSA-N 1 0 381.455 2.950 40 0 GFABRO Cc1ncsc1CN1CC2(C1)C[C@@H](COc1ncccc1F)CC[N@H+]2C ZINC000306132277 206200533 /nfs/dbraw/zinc/20/05/33/206200533.db2.gz LDNWWWVHUWUSNC-HNNXBMFYSA-N 1 0 376.501 2.961 40 0 GFABRO CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccoc2)CC1 ZINC000306132623 206200908 /nfs/dbraw/zinc/20/09/08/206200908.db2.gz LOAVJFVCXDCNPF-UHFFFAOYSA-N 1 0 385.512 2.876 40 0 GFABRO O=c1c(-c2ccc(F)cc2)nnc2n1CCC21CC[NH+](Cc2cccnc2)CC1 ZINC000306131854 206201166 /nfs/dbraw/zinc/20/11/66/206201166.db2.gz KQYUCHRHEIRBFU-UHFFFAOYSA-N 1 0 391.450 2.777 40 0 GFABRO Cn1nccc1-c1ccc2nnc(C3CC[NH+](Cc4cccs4)CC3)n2n1 ZINC000306137322 206202296 /nfs/dbraw/zinc/20/22/96/206202296.db2.gz QSVZFGYUHLQLBR-UHFFFAOYSA-N 1 0 379.493 2.966 40 0 GFABRO COCCn1c(C)cc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)c1C ZINC000012121792 221155090 /nfs/dbraw/zinc/15/50/90/221155090.db2.gz VTIHDJRKBBVAAG-UHFFFAOYSA-N 1 0 393.491 2.867 40 0 GFABRO O=C(CCCOc1cccc(F)c1)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019294272 221406452 /nfs/dbraw/zinc/40/64/52/221406452.db2.gz PQEJOLKUEJRXHD-INIZCTEOSA-N 1 0 398.482 2.827 40 0 GFABRO CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C[NH2+]Cc2cccs2)cc1 ZINC000004895830 551095664 /nfs/dbraw/zinc/09/56/64/551095664.db2.gz VMTAIDIELWHPLB-ZDUSSCGKSA-N 1 0 381.523 2.553 40 0 GFABRO [NH3+]C[C@]1(CO)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218529856 553053805 /nfs/dbraw/zinc/05/38/05/553053805.db2.gz NSDWPWFPWWQESM-ULQDDVLXSA-N 1 0 386.300 2.871 40 0 GFABRO O=C(NCCSc1nc[nH]n1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000225904101 553060817 /nfs/dbraw/zinc/06/08/17/553060817.db2.gz SVRJTQGUSPPBCE-AWEZNQCLSA-N 1 0 379.917 2.579 40 0 GFABRO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](C2CCOCC2)C1 ZINC000015674267 560230916 /nfs/dbraw/zinc/23/09/16/560230916.db2.gz FGZARWVYJBCKBM-HIFRSBDPSA-N 1 0 399.369 2.922 40 0 biogenic,in-vitro GFABRO COC(=O)c1ccc2c(c1)CCN(c1cc(NCC[NH+](C)C)nc(C(C)C)n1)C2 ZINC000329014362 570212493 /nfs/dbraw/zinc/21/24/93/570212493.db2.gz MVDMPUMVBQAVMW-UHFFFAOYSA-N 1 0 397.523 2.923 40 0 GFABRO CC(C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C(C)C)[nH+]1 ZINC000329045525 570214742 /nfs/dbraw/zinc/21/47/42/570214742.db2.gz TWEZREILCPFNPW-UHFFFAOYSA-N 1 0 389.525 2.630 40 0 GFABRO C[NH+](C)CC(=O)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1 ZINC000096267309 570227110 /nfs/dbraw/zinc/22/71/10/570227110.db2.gz KWNKDSLZNZXNPB-UHFFFAOYSA-N 1 0 378.480 2.741 40 0 GFABRO CC(=O)N1CCCC[C@H]2[C@@H]1CC[N@@H+]2CC1(O)CCN(c2ccc(F)cc2)CC1 ZINC000585284651 570253983 /nfs/dbraw/zinc/25/39/83/570253983.db2.gz UJWIKRMWKWXCIP-SFTDATJTSA-N 1 0 389.515 2.632 40 0 GFABRO COc1cc(CNCC[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)cc1 ZINC000022075096 570321370 /nfs/dbraw/zinc/32/13/70/570321370.db2.gz IPHJFHXJEDOLIZ-HNNXBMFYSA-N 1 0 378.900 2.988 40 0 GFABRO CC(C)[N@@H+]1C[C@@H]2COCCN2C2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000604381875 570352735 /nfs/dbraw/zinc/35/27/35/570352735.db2.gz SLHKTBNKCRJATB-QGZVFWFLSA-N 1 0 399.457 2.564 40 0 biogenic,in-vitro GFABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2C)cc1C ZINC000013673476 570771409 /nfs/dbraw/zinc/77/14/09/570771409.db2.gz RKZXQYNRZYZKBE-UHFFFAOYSA-N 1 0 389.521 2.704 40 0 GFABRO CCOC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013566227 570850156 /nfs/dbraw/zinc/85/01/56/570850156.db2.gz CIHMSIAVMKQSTN-AUUYWEPGSA-N 1 0 387.480 2.741 40 0 GFABRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)c(Br)cc1OCC(N)=O ZINC000036612923 570885404 /nfs/dbraw/zinc/88/54/04/570885404.db2.gz NPUKXFKRXBBWAV-BXUZGUMPSA-N 1 0 385.302 2.990 40 0 GFABRO CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000014607417 570893013 /nfs/dbraw/zinc/89/30/13/570893013.db2.gz KIEPQVIROGFTKR-XHDPSFHLSA-N 1 0 399.274 2.900 40 0 GFABRO CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 ZINC000019502121 570927330 /nfs/dbraw/zinc/92/73/30/570927330.db2.gz GMHZTUATHNAEMF-RBUKOAKNSA-N 1 0 376.549 2.644 40 0 GFABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218564129 570928635 /nfs/dbraw/zinc/92/86/35/570928635.db2.gz ITJLHESTTAYOET-IRFCIJBXSA-N 1 0 387.501 2.697 40 0 GFABRO COCC[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1cc(C)on1)CC2 ZINC000585102697 570931033 /nfs/dbraw/zinc/93/10/33/570931033.db2.gz BBGSWBSPXVMBOY-IBGZPJMESA-N 1 0 377.529 2.570 40 0 GFABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccsc2)CC1 ZINC000585106314 570936275 /nfs/dbraw/zinc/93/62/75/570936275.db2.gz SJNYJINPLLQFOD-NXHRZFHOSA-N 1 0 389.565 2.518 40 0 GFABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)s2)CC1 ZINC000585106204 570936433 /nfs/dbraw/zinc/93/64/33/570936433.db2.gz DLAFPSJFSHRTIS-CVEARBPZSA-N 1 0 375.538 2.509 40 0 GFABRO COc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](C[N@@H+]3CC3CCCCC3)C2)c1 ZINC000585107897 570939720 /nfs/dbraw/zinc/93/97/20/570939720.db2.gz CQQMRIZIHURUTE-XLIONFOSSA-N 1 0 378.538 2.970 40 0 GFABRO CC(=O)NCCn1nc([C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)c2cccnc21 ZINC000019021819 570955202 /nfs/dbraw/zinc/95/52/02/570955202.db2.gz OTMLXRGAQUSSGA-QGZVFWFLSA-N 1 0 381.455 2.696 40 0 GFABRO CC(=O)OCc1ccc(C[N@@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)o1 ZINC000019129286 570958037 /nfs/dbraw/zinc/95/80/37/570958037.db2.gz ZSTMKSHISULAOV-HNNXBMFYSA-N 1 0 383.452 2.656 40 0 GFABRO O=C(C1CC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccs1)CC2 ZINC000019343552 570977319 /nfs/dbraw/zinc/97/73/19/570977319.db2.gz TZICAAVTDKSWOO-SFHVURJKSA-N 1 0 398.532 2.853 40 0 GFABRO O=C(C[NH+]1CCCCCC1)N[C@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000019369268 570980687 /nfs/dbraw/zinc/98/06/87/570980687.db2.gz YJJYNOWKHQQMKG-HXUWFJFHSA-N 1 0 394.519 2.923 40 0 GFABRO O=C([C@@H]1CC[N@@H+]1C1CCCCC1)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000019374639 570981582 /nfs/dbraw/zinc/98/15/82/570981582.db2.gz DRKVSIFQKLHCON-IBGZPJMESA-N 1 0 382.508 2.568 40 0 GFABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000019448259 570984329 /nfs/dbraw/zinc/98/43/29/570984329.db2.gz BTSBVYBFTTXSNE-LJQANCHMSA-N 1 0 398.482 2.582 40 0 GFABRO CC[C@@H](Oc1ccccc1OC)C(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019499444 570992265 /nfs/dbraw/zinc/99/22/65/570992265.db2.gz RDDWIBNAJPGLLH-QZTJIDSGSA-N 1 0 396.491 2.652 40 0 GFABRO CCn1cc(-c2cc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)on2)c(C)n1 ZINC000019524715 570996281 /nfs/dbraw/zinc/99/62/81/570996281.db2.gz POLNFTWKQYBWIW-UHFFFAOYSA-N 1 0 394.479 2.656 40 0 GFABRO CCN(CC)S(=O)(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000019526466 570997180 /nfs/dbraw/zinc/99/71/80/570997180.db2.gz MDYBVRSZIQPJJL-VAMGGRTRSA-N 1 0 379.570 2.915 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c(OC)c1 ZINC000019552202 571001394 /nfs/dbraw/zinc/00/13/94/571001394.db2.gz UNWMUYPBVGVDMH-QGZVFWFLSA-N 1 0 392.459 2.839 40 0 GFABRO COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019558963 571004455 /nfs/dbraw/zinc/00/44/55/571004455.db2.gz IPADJSMQJDVYNT-ZDUSSCGKSA-N 1 0 399.882 2.682 40 0 GFABRO COc1cccc(OC)c1C[N@@H+]1CC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 ZINC000019567015 571007998 /nfs/dbraw/zinc/00/79/98/571007998.db2.gz JZHPXLKVLVRKMY-INIZCTEOSA-N 1 0 392.459 2.839 40 0 GFABRO Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019577604 571012379 /nfs/dbraw/zinc/01/23/79/571012379.db2.gz BTPVVGWESJLHBQ-OAHLLOKOSA-N 1 0 390.500 2.924 40 0 GFABRO Cc1oc2c(c1C(=O)N1CCc3nc(C4CC[NH2+]CC4)ncc3C1)CCCC2 ZINC000019581304 571013565 /nfs/dbraw/zinc/01/35/65/571013565.db2.gz ATWQRJREOZSSTN-UHFFFAOYSA-N 1 0 380.492 2.922 40 0 GFABRO COc1cccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c1OC ZINC000019590455 571017687 /nfs/dbraw/zinc/01/76/87/571017687.db2.gz HSCHTLIFZBLGOY-HNNXBMFYSA-N 1 0 396.491 2.502 40 0 GFABRO COCCOc1ccc(C[N@@H+]2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000019593684 571019847 /nfs/dbraw/zinc/01/98/47/571019847.db2.gz GHCCHZQMFCYIJW-MRXNPFEDSA-N 1 0 381.436 2.541 40 0 GFABRO CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(C)o3)CC2)O1 ZINC000096036868 571096319 /nfs/dbraw/zinc/09/63/19/571096319.db2.gz LHORDNFFOGMVDS-GOSISDBHSA-N 1 0 386.496 2.543 40 0 GFABRO CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3cccs3)CC2)O1 ZINC000096036859 571096546 /nfs/dbraw/zinc/09/65/46/571096546.db2.gz NUORIVCPNGOENW-KRWDZBQOSA-N 1 0 388.537 2.703 40 0 GFABRO O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(CO)o2)C1 ZINC000020503263 575369833 /nfs/dbraw/zinc/36/98/33/575369833.db2.gz WWPZSEBPQGPVGO-DOTOQJQBSA-N 1 0 377.444 2.615 40 0 biogenic,in-vitro GFABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OC)c3)cc2)CC1 ZINC000006517677 204182572 /nfs/dbraw/zinc/18/25/72/204182572.db2.gz OEYDBIZCXZSDTK-UHFFFAOYSA-N 1 0 398.532 2.964 40 0 GFABRO O=C(Nc1nccs1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298442 204270337 /nfs/dbraw/zinc/27/03/37/204270337.db2.gz JOZZIFDQLUCCGP-ZACQAIPSSA-N 1 0 394.504 2.751 40 0 biogenic,in-vitro GFABRO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccccn2)C3)c(OCC)n1 ZINC000012089103 204371108 /nfs/dbraw/zinc/37/11/08/204371108.db2.gz ZRQLLEXZCAPFMM-AQKKSAQBSA-N 1 0 398.507 2.789 40 0 GFABRO COc1ccc(CNC(=O)C[NH+]2CCC(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012113994 204371875 /nfs/dbraw/zinc/37/18/75/204371875.db2.gz PSWKIXZPIRELKN-UHFFFAOYSA-N 1 0 382.460 2.920 40 0 GFABRO CCn1c2ccccc2nc1N1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000012116398 204372012 /nfs/dbraw/zinc/37/20/12/204372012.db2.gz XLTSBSUEIFNQBU-GOSISDBHSA-N 1 0 383.540 2.873 40 0 GFABRO COc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012292251 204389390 /nfs/dbraw/zinc/38/93/90/204389390.db2.gz GAWRQWNBTDLIEK-IBGZPJMESA-N 1 0 399.487 2.874 40 0 GFABRO COc1cccc(C2(O)CC[NH+](CCNC(=O)c3cc(F)cc(F)c3)CC2)c1 ZINC000012291049 204390041 /nfs/dbraw/zinc/39/00/41/204390041.db2.gz UAGTWIBNJUSEBJ-UHFFFAOYSA-N 1 0 390.430 2.687 40 0 GFABRO COc1ccc(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)cc1CO ZINC000012328607 204398309 /nfs/dbraw/zinc/39/83/09/204398309.db2.gz JUDTZMMMPUECGZ-UHFFFAOYSA-N 1 0 386.467 2.954 40 0 GFABRO O=C(Cc1c[nH]c2ccccc12)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019376007 204641849 /nfs/dbraw/zinc/64/18/49/204641849.db2.gz KAABPYQQGMLECR-OAHLLOKOSA-N 1 0 375.476 2.552 40 0 GFABRO CC[C@H](Oc1ccccc1OC)C(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019499445 204646719 /nfs/dbraw/zinc/64/67/19/204646719.db2.gz RDDWIBNAJPGLLH-MSOLQXFVSA-N 1 0 396.491 2.652 40 0 GFABRO CC(=O)OCc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)o1 ZINC000036740094 205022087 /nfs/dbraw/zinc/02/20/87/205022087.db2.gz DEMAWKZHDZTIFE-MJGOQNOKSA-N 1 0 378.375 2.730 40 0 GFABRO CCOc1ccc(CCC(=O)N(C)Cc2cc([C@H]3CCC[NH2+]C3)nn2C)cc1 ZINC000072370178 205335527 /nfs/dbraw/zinc/33/55/27/205335527.db2.gz NVGYAAWPJCXTKH-SFHVURJKSA-N 1 0 384.524 2.877 40 0 GFABRO O=C(N1CCn2c(nnc2[C@H]2CCC[NH2+]C2)C1)C1(c2ccc(F)cc2)CCCC1 ZINC000072372150 205337955 /nfs/dbraw/zinc/33/79/55/205337955.db2.gz QQLSBCZGRBREJG-INIZCTEOSA-N 1 0 397.498 2.738 40 0 GFABRO O=c1[nH]c(N2CCCCCC2)nc2c1C[N@H+](Cc1ccc3nccnc3c1)CC2 ZINC000072389586 205342035 /nfs/dbraw/zinc/34/20/35/205342035.db2.gz OMWKBQVKWZIJJS-UHFFFAOYSA-N 1 0 390.491 2.652 40 0 GFABRO CC(=O)N1CCC([NH2+]C[C@H]2Cn3c(-c4cccc(Cl)c4)cnc3CO2)CC1 ZINC000096269355 206121544 /nfs/dbraw/zinc/12/15/44/206121544.db2.gz RFIMOWSXPWDJCE-SFHVURJKSA-N 1 0 388.899 2.703 40 0 biogenic,in-vitro GFABRO CC(C)CN1C(=O)C2(C[C@H]1Cc1ccccc1)CCN(C(=O)C[NH+](C)C)CC2 ZINC000257281425 206171173 /nfs/dbraw/zinc/17/11/73/206171173.db2.gz OPDKURXDQMLJFP-HXUWFJFHSA-N 1 0 385.552 2.656 40 0 GFABRO CC(=O)Nc1cccc([C@@H]2C[N@@H+](C3CCOCC3)C[C@]23CCCCC(=O)N3)c1 ZINC000257332759 206181585 /nfs/dbraw/zinc/18/15/85/206181585.db2.gz XYNLQMULMRRZEY-RBBKRZOGSA-N 1 0 385.508 2.652 40 0 GFABRO COCC[N@@H+]1CCC[C@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 ZINC000257331153 206180172 /nfs/dbraw/zinc/18/01/72/206180172.db2.gz XRPQAISIBXEUIT-IBGZPJMESA-N 1 0 376.526 2.580 40 0 GFABRO COc1ccc(-c2cc(C(=O)N3CCC[C@]4(C)[NH2+]CCC[C@@H]34)[nH]n2)c(OC)c1 ZINC000257326390 206180628 /nfs/dbraw/zinc/18/06/28/206180628.db2.gz WXAYLTMAMOWBFC-CTNGQTDRSA-N 1 0 384.480 2.841 40 0 GFABRO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@H]1C[N@@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306144181 206206563 /nfs/dbraw/zinc/20/65/63/206206563.db2.gz YYCRLPCVRVYQQC-WBVHZDCISA-N 1 0 398.532 2.597 40 0 GFABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]1C2 ZINC000306123745 206196972 /nfs/dbraw/zinc/19/69/72/206196972.db2.gz AVNCADMABUBCKL-PMACEKPBSA-N 1 0 387.487 2.512 40 0 GFABRO Cc1nc(CN2C[C@@H]3C[N@H+](Cc4cc(C)cc(C)c4)C[C@H]3S2(=O)=O)cs1 ZINC000306125349 206197232 /nfs/dbraw/zinc/19/72/32/206197232.db2.gz CNAAZWBNQAPSDB-PKOBYXMFSA-N 1 0 391.562 2.714 40 0 GFABRO O=c1c(-c2ccccc2)nnc2n1CC[C@]21CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000306124291 206197734 /nfs/dbraw/zinc/19/77/34/206197734.db2.gz BMCOEOCWSLOGLT-QFIPXVFZSA-N 1 0 376.435 2.992 40 0 GFABRO C[N@@H+]1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 ZINC000306130148 206198815 /nfs/dbraw/zinc/19/88/15/206198815.db2.gz IXMTUWWPXBUGNI-KRWDZBQOSA-N 1 0 393.487 2.727 40 0 GFABRO O=C(NCC1CC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000306127209 206198855 /nfs/dbraw/zinc/19/88/55/206198855.db2.gz FRTOSPSGMUCZGN-UHFFFAOYSA-N 1 0 397.498 2.786 40 0 GFABRO Fc1ccc(C[N@@H+]2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306131809 206201836 /nfs/dbraw/zinc/20/18/36/206201836.db2.gz KQAVRXRYFIRLOA-QGZVFWFLSA-N 1 0 381.455 2.695 40 0 GFABRO C[C@@H](CC[N@@H+]1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1)c1ccccc1 ZINC000072394676 136169265 /nfs/dbraw/zinc/16/92/65/136169265.db2.gz IRUCFYGRANCSFQ-HKUYNNGSSA-N 1 0 382.508 2.590 40 0 GFABRO COc1cccc([C@@H]2c3cc4c(cc3O[C@H]([NH2+]CCO)[C@H]2C)OCO4)c1OC ZINC000073257551 222268395 /nfs/dbraw/zinc/26/83/95/222268395.db2.gz CKUCWPTUZQKDGP-DKIOLRDMSA-N 1 0 387.432 2.501 40 0 GFABRO c1c(CC2CCCCC2)nnn1[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2[NH2+]Cc1ccccc1 ZINC000005410372 560201726 /nfs/dbraw/zinc/20/17/26/560201726.db2.gz GFRVNDBWOSRHOR-FNAHDJPLSA-N 1 0 382.508 2.898 40 0 biogenic,in-vitro GFABRO C[NH+](C)CCNc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)n1 ZINC000329024802 563470775 /nfs/dbraw/zinc/47/07/75/563470775.db2.gz PBHYGEJDFPRMFT-UHFFFAOYSA-N 1 0 394.292 2.817 40 0 GFABRO O=C(c1cccc2ncccc21)N1CCC[C@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075565 570209874 /nfs/dbraw/zinc/20/98/74/570209874.db2.gz QVELOOZWONSYLM-JPYJTQIMSA-N 1 0 395.503 2.578 40 0 GFABRO COc1ccc(-c2ccnc3c(C(=O)N[C@H](C)C[NH+]4CCCC4)cnn32)cc1 ZINC000019719011 570210280 /nfs/dbraw/zinc/21/02/80/570210280.db2.gz YUXACBDEWNVFMQ-OAHLLOKOSA-N 1 0 379.464 2.619 40 0 GFABRO C[NH+](C)CCNC(=O)[C@H]1Cc2nc(-c3ccsc3)sc2N1CC1CC1 ZINC000096146742 570214116 /nfs/dbraw/zinc/21/41/16/570214116.db2.gz VXWSGPRJGDNTNH-OAHLLOKOSA-N 1 0 376.551 2.691 40 0 GFABRO O=C([C@H]1Cn2ccnc2C2(CC[NH+](Cc3cccc(F)c3)CC2)O1)N1CCCC1 ZINC000096243695 570223512 /nfs/dbraw/zinc/22/35/12/570223512.db2.gz ULJUWXWYOCGEKJ-LJQANCHMSA-N 1 0 398.482 2.535 40 0 GFABRO COCCOc1cc(C[N@H+](C)C[C@H](O)COC2CCCCC2)ccc1OC ZINC000585262510 570230471 /nfs/dbraw/zinc/23/04/71/570230471.db2.gz HJBIKJFSRFNXRK-SFHVURJKSA-N 1 0 381.513 2.862 40 0 GFABRO CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C[NH+]2CCCCC2)CC1 ZINC000100750085 570276459 /nfs/dbraw/zinc/27/64/59/570276459.db2.gz MJZOLIIROKGTRO-XQBPLPMBSA-N 1 0 386.540 2.667 40 0 GFABRO CCCCN1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000103087979 570294400 /nfs/dbraw/zinc/29/44/00/570294400.db2.gz FVKQFELKGIGCNI-AXHMDWHKSA-N 1 0 389.883 2.517 40 0 GFABRO CC(C)(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3ccccc3F)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382649 570353781 /nfs/dbraw/zinc/35/37/81/570353781.db2.gz WZGGVPPZVPMQCH-HNBVOPMISA-N 1 0 387.499 2.603 40 0 biogenic,in-vitro GFABRO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000024699066 570389957 /nfs/dbraw/zinc/38/99/57/570389957.db2.gz ATYKDAHLWKYIIT-UHFFFAOYSA-N 1 0 381.476 2.781 40 0 GFABRO CCOC(=O)c1sc(NC(=O)CN(C)C)c(C(=O)Nc2ccccc2)c1C ZINC000014152891 570877784 /nfs/dbraw/zinc/87/77/84/570877784.db2.gz ZTBRJTDSSVUNPF-UHFFFAOYSA-N 1 0 389.477 2.986 40 0 GFABRO c1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019369608 570925393 /nfs/dbraw/zinc/92/53/93/570925393.db2.gz RCRASJLIYQLENX-SFTDATJTSA-N 1 0 396.539 2.502 40 0 GFABRO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[NH+]3CCC(O)CC3)C2)CC1 ZINC000585104491 570932960 /nfs/dbraw/zinc/93/29/60/570932960.db2.gz PFNUVTCXBJHFRF-HXUWFJFHSA-N 1 0 386.536 2.717 40 0 GFABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000585106186 570935854 /nfs/dbraw/zinc/93/58/54/570935854.db2.gz AXTIDFVLJACFFE-AHRSYUTCSA-N 1 0 399.535 2.536 40 0 GFABRO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]21 ZINC000585109696 570938147 /nfs/dbraw/zinc/93/81/47/570938147.db2.gz IXUPCBDTXKUMBJ-CMKODMSKSA-N 1 0 394.462 2.581 40 0 GFABRO C[C@@H]1CC[C@H](C(=O)N2CCc3[nH]nc(-c4cccc5c4C[N@H+](C)C5)c3CC2)O1 ZINC000585110313 570939112 /nfs/dbraw/zinc/93/91/12/570939112.db2.gz DOBQAZIWDVCFED-JLTOFOAXSA-N 1 0 380.492 2.517 40 0 GFABRO COc1cccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019078794 570955843 /nfs/dbraw/zinc/95/58/43/570955843.db2.gz BJYDGOBOSGTUJJ-QRWLVFNGSA-N 1 0 396.491 2.604 40 0 GFABRO Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019210859 570960613 /nfs/dbraw/zinc/96/06/13/570960613.db2.gz PVFLDTCQRHDXHJ-QZTJIDSGSA-N 1 0 394.519 2.946 40 0 GFABRO Cc1nc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)C[N@H+]3C)cc(=O)[nH]1 ZINC000019240920 570969316 /nfs/dbraw/zinc/96/93/16/570969316.db2.gz CTHYWGNCPUYKGA-DSKINZAPSA-N 1 0 398.482 2.700 40 0 GFABRO O=C(c1cc(-c2ccccc2F)no1)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019368330 570980102 /nfs/dbraw/zinc/98/01/02/570980102.db2.gz SEYKWYVLCVFFMS-KRWDZBQOSA-N 1 0 393.422 2.894 40 0 GFABRO CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](CC(=O)N(CC)CC)CC[C@H]21 ZINC000019499187 570991556 /nfs/dbraw/zinc/99/15/56/570991556.db2.gz JXXBTDSMEFYECC-VAMGGRTRSA-N 1 0 389.515 2.720 40 0 GFABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)cc(OC)c1OC ZINC000019549908 571000432 /nfs/dbraw/zinc/00/04/32/571000432.db2.gz GWVPVRAGRRXXMC-JKSBSHDWSA-N 1 0 384.476 2.837 40 0 GFABRO COc1ccc(C(=O)N2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c(OC)c1 ZINC000019551962 571001423 /nfs/dbraw/zinc/00/14/23/571001423.db2.gz VKFYIGYLOJAWQR-GOSISDBHSA-N 1 0 382.464 2.507 40 0 GFABRO COc1ccc(CC(=O)N2CCc3nc(C4CC[NH+](C)CC4)ncc3C2)cc1C ZINC000019571204 571009700 /nfs/dbraw/zinc/00/97/00/571009700.db2.gz RUVYAGHXHSRNNM-UHFFFAOYSA-N 1 0 394.519 2.730 40 0 GFABRO Cc1oc2c(c1C(=O)N1CCC[C@@H](c3ncc4c(n3)CC[NH2+]C4)C1)CCCC2 ZINC000019581228 571013249 /nfs/dbraw/zinc/01/32/49/571013249.db2.gz TWJBWIUNSJGYAK-OAHLLOKOSA-N 1 0 380.492 2.922 40 0 GFABRO CN1CCN(c2cc(C(=O)Nc3ccccc3C[NH+]3CCCC3)ccn2)CC1 ZINC000019662566 571026521 /nfs/dbraw/zinc/02/65/21/571026521.db2.gz SSSBTVZMUAPJIL-UHFFFAOYSA-N 1 0 379.508 2.682 40 0 GFABRO CCN(C(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1)C1CC[NH+](C)CC1 ZINC000019666929 571027928 /nfs/dbraw/zinc/02/79/28/571027928.db2.gz ZGAPMBKHAHOPEV-GOSISDBHSA-N 1 0 396.535 2.502 40 0 GFABRO Cc1nc(-c2ccc(CNC(=O)CC[N@H+]3CCC[C@H](C)C3)cc2)ccc1C(N)=O ZINC000019700576 571031508 /nfs/dbraw/zinc/03/15/08/571031508.db2.gz URSJLCVBGPETGS-INIZCTEOSA-N 1 0 394.519 2.894 40 0 GFABRO C[NH+]1CCC(c2nnc3n2CCN(C(=O)CCCc2ccc(F)cc2)CC3)CC1 ZINC000019708989 571033271 /nfs/dbraw/zinc/03/32/71/571033271.db2.gz YYPKHDWFYGUREL-UHFFFAOYSA-N 1 0 399.514 2.634 40 0 GFABRO Cc1c2ccccc2oc1C(=O)N1CCc2nnc([C@H]3CCC[N@@H+](C)C3)n2CC1 ZINC000019709254 571033721 /nfs/dbraw/zinc/03/37/21/571033721.db2.gz YUMDQKBIPJBUGP-INIZCTEOSA-N 1 0 393.491 2.840 40 0 GFABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)CCc2c[nH]c4ccccc24)C3)C1 ZINC000019711111 571035100 /nfs/dbraw/zinc/03/51/00/571035100.db2.gz MPOJNVWXALYWME-QGZVFWFLSA-N 1 0 392.507 2.544 40 0 GFABRO CCN1CC2(CC[NH+](Cc3ccco3)CC2)COc2ccccc2S1(=O)=O ZINC000096037139 571096553 /nfs/dbraw/zinc/09/65/53/571096553.db2.gz FRHOIYRRHHEAKZ-UHFFFAOYSA-N 1 0 390.505 2.965 40 0 GFABRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccsc3)C[C@H]12 ZINC000096058472 571098431 /nfs/dbraw/zinc/09/84/31/571098431.db2.gz FXEJWHSMKKIATG-OALUTQOASA-N 1 0 376.547 2.926 40 0 GFABRO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccccc2)c2ccc(F)cc2)CC1 ZINC000035291332 204155313 /nfs/dbraw/zinc/15/53/13/204155313.db2.gz SUVBQAVLDAICGQ-FQEVSTJZSA-N 1 0 380.471 2.587 40 0 GFABRO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000035291336 204155886 /nfs/dbraw/zinc/15/58/86/204155886.db2.gz WMYOVJLQFZLTKH-FQEVSTJZSA-N 1 0 398.461 2.727 40 0 GFABRO Cc1ccc(C[NH2+]CC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1 ZINC000035311416 204166062 /nfs/dbraw/zinc/16/60/62/204166062.db2.gz FMTIOGUSBBPSPN-UHFFFAOYSA-N 1 0 383.467 2.645 40 0 GFABRO O=C(NCc1cccnc1)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CC[NH2+]CC1 ZINC000012088827 204371495 /nfs/dbraw/zinc/37/14/95/204371495.db2.gz KJLREVKAUNQDEU-LJQANCHMSA-N 1 0 396.466 2.790 40 0 GFABRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H](O)c2ccc3c(c2)OCCO3)CC1 ZINC000012188283 204379207 /nfs/dbraw/zinc/37/92/07/204379207.db2.gz INNDTIZDVBKECX-HXUWFJFHSA-N 1 0 396.487 2.619 40 0 GFABRO [NH3+]Cc1ccc([C@@H]2CN(C(=O)COc3ccc(F)cc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000019699001 204670907 /nfs/dbraw/zinc/67/09/07/204670907.db2.gz FCCVUPSDAUJNAX-VQTJNVASSA-N 1 0 394.450 2.796 40 0 GFABRO C[NH+](C)C[C@@H]1CCCN(C(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000019748230 204680587 /nfs/dbraw/zinc/68/05/87/204680587.db2.gz HIBIINCWHHBWIG-NRFANRHFSA-N 1 0 385.552 2.658 40 0 GFABRO Cc1ccc(S(=O)(=O)n2c3ccccc3nc2NC[C@H]2CCC[NH2+]C2)cc1 ZINC000043220498 205081366 /nfs/dbraw/zinc/08/13/66/205081366.db2.gz ICCGJPRJZZEHSF-INIZCTEOSA-N 1 0 384.505 2.993 40 0 GFABRO C[N@H+]1CCc2nnc([C@H]3CCCN(C(=O)C(C)(C)c4cccc(F)c4)C3)n2CC1 ZINC000072370944 205336090 /nfs/dbraw/zinc/33/60/90/205336090.db2.gz NLGNGJCSZHVKDC-INIZCTEOSA-N 1 0 399.514 2.589 40 0 GFABRO COC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)ccc1Cl ZINC000225230346 206041335 /nfs/dbraw/zinc/04/13/35/206041335.db2.gz WVSQHMKKXCBGQJ-UHFFFAOYSA-N 1 0 388.917 2.527 40 0 GFABRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cccs3)C[C@@H]12 ZINC000247503597 206133209 /nfs/dbraw/zinc/13/32/09/206133209.db2.gz GGCXBVIXFUQBIV-MOPGFXCFSA-N 1 0 376.547 2.926 40 0 GFABRO CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CCN(C(=O)c1cccc(F)c1)C2 ZINC000257327769 206179183 /nfs/dbraw/zinc/17/91/83/206179183.db2.gz XCPYMPRGVOWMTP-SJBKTWHCSA-N 1 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ZINC000306132189 206202019 /nfs/dbraw/zinc/20/20/19/206202019.db2.gz LBEPPMSSQDYBDI-UHFFFAOYSA-N 1 0 391.450 2.777 40 0 GFABRO COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000073257868 222269266 /nfs/dbraw/zinc/26/92/66/222269266.db2.gz CGPNWVMBMDTTMA-SFTDATJTSA-N 1 0 398.503 2.839 40 0 GFABRO [NH3+]C[C@]1(CO)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242575097 553088087 /nfs/dbraw/zinc/08/80/87/553088087.db2.gz NSDWPWFPWWQESM-BBWFWOEESA-N 1 0 386.300 2.871 40 0 GFABRO C[NH+](C)CCCNc1nc(NCc2cccc(Cl)c2)cc(C(F)(F)F)n1 ZINC000329002400 570211527 /nfs/dbraw/zinc/21/15/27/570211527.db2.gz KHYSXUNCVZJLLD-UHFFFAOYSA-N 1 0 387.837 2.968 40 0 GFABRO Cc1ccc(CNc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)cc1 ZINC000329067747 570216372 /nfs/dbraw/zinc/21/63/72/570216372.db2.gz YKRGWELZGGJUSE-UHFFFAOYSA-N 1 0 376.508 2.667 40 0 GFABRO COc1ccc(Nc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)cc1F ZINC000329072248 570216815 /nfs/dbraw/zinc/21/68/15/570216815.db2.gz ZWOFKWQSRUPHDG-UHFFFAOYSA-N 1 0 396.470 2.637 40 0 GFABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NCC2CC2)Cn2ccnc23)cc1 ZINC000096243590 570223194 /nfs/dbraw/zinc/22/31/94/570223194.db2.gz GIEHPJHQJNIJBJ-FQEVSTJZSA-N 1 0 394.519 2.608 40 0 GFABRO O=C(c1cscn1)N1C[C@H]2[C@@H](CN2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000096244899 570224248 /nfs/dbraw/zinc/22/42/48/570224248.db2.gz DZGUPYCGOPTRNK-XLIONFOSSA-N 1 0 382.533 2.564 40 0 GFABRO C[NH2+]CC(=O)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585262977 570231678 /nfs/dbraw/zinc/23/16/78/570231678.db2.gz SCMVJKPLLRSWHZ-CQSZACIVSA-N 1 0 383.883 2.975 40 0 GFABRO CC(=O)NCCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cccc(C)c3)C2)cc1 ZINC000585274029 570243459 /nfs/dbraw/zinc/24/34/59/570243459.db2.gz YRYTUBIUUBIJST-GOTSBHOMSA-N 1 0 398.503 2.524 40 0 GFABRO FC(F)(F)c1nc(-c2cncc([C@H]3CCC[N@H+](Cc4cncnc4)C3)n2)no1 ZINC000585291009 570259519 /nfs/dbraw/zinc/25/95/19/570259519.db2.gz ZCIAFSDBRWMTRT-LBPRGKRZSA-N 1 0 391.357 2.715 40 0 GFABRO C[NH+]1CCN(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000020460402 570260704 /nfs/dbraw/zinc/26/07/04/570260704.db2.gz YJMYPTYWBSGWTN-UHFFFAOYSA-N 1 0 392.547 2.617 40 0 GFABRO COc1ccc2c3c1O[C@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)=O)C2 ZINC000001493089 570264063 /nfs/dbraw/zinc/26/40/63/570264063.db2.gz DGSADVAMZWFCMP-JOKRRQDLSA-N 1 0 381.472 2.505 40 0 GFABRO COC(=O)C[C@]1(C)[NH2+][C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000216598437 570303510 /nfs/dbraw/zinc/30/35/10/570303510.db2.gz NFQOYGSKVUFULD-URFJDIBFSA-N 1 0 392.455 2.767 40 0 GFABRO COc1ccc(/C=C(/C(=O)NCCCN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000022935053 570338367 /nfs/dbraw/zinc/33/83/67/570338367.db2.gz CLJCQQAOLRYJIZ-FCDQGJHFSA-N 1 0 393.531 2.990 40 0 GFABRO COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000026780937 570428624 /nfs/dbraw/zinc/42/86/24/570428624.db2.gz HNNUHKGIGFXJNI-SFHVURJKSA-N 1 0 376.884 2.911 40 0 GFABRO Cn1ccnc1COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2)cc1 ZINC000257243686 570488237 /nfs/dbraw/zinc/48/82/37/570488237.db2.gz IICXXMHWJUPQTL-LJQANCHMSA-N 1 0 381.476 2.871 40 0 GFABRO NC(=O)Cn1cc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc21 ZINC000012364428 570646558 /nfs/dbraw/zinc/64/65/58/570646558.db2.gz PNFGHBNMMUOUAJ-UHFFFAOYSA-N 1 0 396.535 2.741 40 0 GFABRO Cc1cc(C)n2ncc(C[N@@H+]3C[C@@H]4CC[C@](O)(c5ncccc5C)[C@@H]4C3)c2n1 ZINC000257367380 570914860 /nfs/dbraw/zinc/91/48/60/570914860.db2.gz DWDVNOSIESYJLT-LRXVAGHRSA-N 1 0 377.492 2.779 40 0 GFABRO COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)C1CC(F)C1)CC2 ZINC000585103465 570931932 /nfs/dbraw/zinc/93/19/32/570931932.db2.gz GVNLIOTYWKNFAY-ACBHZAAOSA-N 1 0 375.488 2.659 40 0 GFABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000585105995 570935395 /nfs/dbraw/zinc/93/53/95/570935395.db2.gz BCPIHPIOBLUGAV-DBVUQKKJSA-N 1 0 383.536 2.694 40 0 GFABRO COc1c(C)cccc1C[NH+]1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 ZINC000019235922 570965946 /nfs/dbraw/zinc/96/59/46/570965946.db2.gz LVDJQOLNIXKQPV-UHFFFAOYSA-N 1 0 393.487 2.741 40 0 GFABRO COc1c(C)cccc1C[N@@H+]1CC[C@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019235919 570966060 /nfs/dbraw/zinc/96/60/60/570966060.db2.gz JPEZZPFTMQJJPW-SFHVURJKSA-N 1 0 380.492 2.688 40 0 GFABRO COc1ccc([C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285518 570969062 /nfs/dbraw/zinc/96/90/62/570969062.db2.gz GZHKUSHNFCNASF-VQTJNVASSA-N 1 0 376.460 2.865 40 0 GFABRO Cn1nc(-c2ccccn2)cc1C[NH+]1CCC(NC(=O)Cc2ccccc2)CC1 ZINC000019288959 570970994 /nfs/dbraw/zinc/97/09/94/570970994.db2.gz SHQBEDXROXEXCU-UHFFFAOYSA-N 1 0 389.503 2.805 40 0 GFABRO COc1ccccc1C[NH+]1CCN(c2ccccc2[C@H](O)c2nccn2C)CC1 ZINC000019291349 570972284 /nfs/dbraw/zinc/97/22/84/570972284.db2.gz NRXDQVFEVSWFIP-QFIPXVFZSA-N 1 0 392.503 2.833 40 0 GFABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 ZINC000019371788 570981048 /nfs/dbraw/zinc/98/10/48/570981048.db2.gz MVCGPTKTIMCOBS-GOSISDBHSA-N 1 0 386.565 2.803 40 0 GFABRO C[C@H]1Cc2cc(C(=O)N3CCc4nc(C5CC[NH+](C)CC5)ncc4C3)ccc2O1 ZINC000019497984 570990583 /nfs/dbraw/zinc/99/05/83/570990583.db2.gz PHSKCVOYJXGFED-HNNXBMFYSA-N 1 0 392.503 2.808 40 0 GFABRO CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N3CCC[C@H](C[NH+](C)C)C3)c2N1 ZINC000019520870 570994166 /nfs/dbraw/zinc/99/41/66/570994166.db2.gz HPGZWRJTRVZLJR-IPYPFGDCSA-N 1 0 387.450 2.995 40 0 GFABRO CCc1noc(CC)c1C(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019521315 570994645 /nfs/dbraw/zinc/99/46/45/570994645.db2.gz HILROKNNGKKZHC-UHFFFAOYSA-N 1 0 383.496 2.597 40 0 GFABRO CCOc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)ccc1OC ZINC000019531972 570999307 /nfs/dbraw/zinc/99/93/07/570999307.db2.gz FKCAAKYMRFWKRB-KRWDZBQOSA-N 1 0 383.492 2.976 40 0 GFABRO CCN1CCN(C(=O)C[NH2+]C)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183599 571000466 /nfs/dbraw/zinc/00/04/66/571000466.db2.gz LXKNURZIWQQPRV-NRFANRHFSA-N 1 0 393.531 2.731 40 0 GFABRO COc1ccc(F)c(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1 ZINC000019551433 571000849 /nfs/dbraw/zinc/00/08/49/571000849.db2.gz GERHLSAGDLBMHT-OAHLLOKOSA-N 1 0 380.423 2.969 40 0 GFABRO C=Cn1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C ZINC000019554357 571002416 /nfs/dbraw/zinc/00/24/16/571002416.db2.gz VPAHGOQKBANHBD-KRWDZBQOSA-N 1 0 382.512 2.745 40 0 GFABRO COc1ccc(CCC(=O)N2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)cc1 ZINC000019554566 571002455 /nfs/dbraw/zinc/00/24/55/571002455.db2.gz XXKHXARKRLPAQA-FQEVSTJZSA-N 1 0 380.492 2.817 40 0 GFABRO COc1cccc(OC)c1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@H]1Cc1ccccc1 ZINC000019567128 571008538 /nfs/dbraw/zinc/00/85/38/571008538.db2.gz DPBOZEFYYMSDBZ-HSALFYBXSA-N 1 0 382.504 2.566 40 0 GFABRO COc1ccccc1C[NH+]1CCC(c2cc(C(=O)N3CCC[C@H](O)C3)on2)CC1 ZINC000019570132 571009641 /nfs/dbraw/zinc/00/96/41/571009641.db2.gz UJJQHIJVQUDDLS-SFHVURJKSA-N 1 0 399.491 2.660 40 0 GFABRO C[NH+](C)CCn1nc([C@H]2CCN(C(=O)Cc3ccccc3F)C2)c2cccnc21 ZINC000019583235 571014203 /nfs/dbraw/zinc/01/42/03/571014203.db2.gz QGNCICLZFSAQHN-KRWDZBQOSA-N 1 0 395.482 2.691 40 0 GFABRO C[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)[NH+]1CCCC1 ZINC000019655146 571022783 /nfs/dbraw/zinc/02/27/83/571022783.db2.gz BPBUDVVOQHHNQX-AWEZNQCLSA-N 1 0 384.446 2.917 40 0 GFABRO CNc1nc(C2CC[NH+](C[C@H]3CC=CCC3)CC2)nc2c1CN(C(C)=O)CC2 ZINC000019711060 571035166 /nfs/dbraw/zinc/03/51/66/571035166.db2.gz MPRJYSVDCLCGQN-KRWDZBQOSA-N 1 0 383.540 2.959 40 0 GFABRO Cc1c(NC(=O)C[N@@H+]2CCC[C@H](Cc3nc4cc(F)ccc4[nH]3)C2)cnn1C ZINC000019715579 571037404 /nfs/dbraw/zinc/03/74/04/571037404.db2.gz BEZWNEMGPUYTDM-CQSZACIVSA-N 1 0 384.459 2.637 40 0 GFABRO Cn1cc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3cccs3)CC2)cn1 ZINC000096036946 571096453 /nfs/dbraw/zinc/09/64/53/571096453.db2.gz KGNWUGBJQFWLNC-UHFFFAOYSA-N 1 0 382.537 2.782 40 0 GFABRO CN1CC2(CC[NH+](Cc3ccoc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037127 571096478 /nfs/dbraw/zinc/09/64/78/571096478.db2.gz IVVAYWHRRCNPJX-UHFFFAOYSA-N 1 0 376.478 2.575 40 0 GFABRO O=C(c1cnc2ccccc2c1)N1CCC[C@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075563 571098476 /nfs/dbraw/zinc/09/84/76/571098476.db2.gz BPEQGNLDTATMLY-MBSDFSHPSA-N 1 0 395.503 2.578 40 0 GFABRO O=C(c1cnc2ccccc2c1)N1CCC[C@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075561 571098610 /nfs/dbraw/zinc/09/86/10/571098610.db2.gz BPEQGNLDTATMLY-JPYJTQIMSA-N 1 0 395.503 2.578 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C2CC2)n1 ZINC000329062738 231047678 /nfs/dbraw/zinc/04/76/78/231047678.db2.gz WYIWPCZXOWDKHJ-UHFFFAOYSA-N 1 0 381.402 2.814 40 0 GFABRO Cc1c(CCOC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc[n+]1Cc1cnc(C)nc1N ZINC000004748209 204073732 /nfs/dbraw/zinc/07/37/32/204073732.db2.gz CYBLJVGBDWMZJC-ZMSDIMECSA-N 1 0 387.529 2.595 40 0 GFABRO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC000012366328 204399883 /nfs/dbraw/zinc/39/98/83/204399883.db2.gz BBHHPFQEFMGBND-QIDMFYOTSA-N 1 0 383.467 2.818 40 0 GFABRO Cc1cc(C)n(CC[NH2+]Cc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)n1 ZINC000012186476 204380256 /nfs/dbraw/zinc/38/02/56/204380256.db2.gz ASMDDOFDXKXLDP-UHFFFAOYSA-N 1 0 376.464 2.625 40 0 GFABRO O=C(COc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)cc1)N1CCOCC1 ZINC000012238767 204386906 /nfs/dbraw/zinc/38/69/06/204386906.db2.gz YRZQABXZLZNKKE-UHFFFAOYSA-N 1 0 384.451 2.842 40 0 GFABRO O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019345629 204637886 /nfs/dbraw/zinc/63/78/86/204637886.db2.gz DTJUQVXIXMAFCX-FQEVSTJZSA-N 1 0 390.531 2.950 40 0 GFABRO CCOC(=O)C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000044786614 205085969 /nfs/dbraw/zinc/08/59/69/205085969.db2.gz PZEMSYCPGGJHLH-SFHVURJKSA-N 1 0 376.472 2.839 40 0 GFABRO Cc1cc(Nc2cc([C@H]3CCCN3C(=O)C3([NH3+])CCCCC3)nc(C)n2)n[nH]1 ZINC000072360848 205333665 /nfs/dbraw/zinc/33/36/65/205333665.db2.gz DRZVAMVFUMSNKQ-MRXNPFEDSA-N 1 0 383.500 2.885 40 0 GFABRO O=C(c1cc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380540 205340170 /nfs/dbraw/zinc/34/01/70/205340170.db2.gz BRKRDJGNNGQUJH-INIZCTEOSA-N 1 0 388.899 2.915 40 0 GFABRO Cc1ccc(O[C@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000072390765 205342488 /nfs/dbraw/zinc/34/24/88/205342488.db2.gz RUBDUIZSCNFHGY-OXQOHEQNSA-N 1 0 380.492 2.952 40 0 GFABRO C[C@@H]1Cc2cc([C@H](O)C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)ccc2N1S(C)(=O)=O ZINC000012181007 205870773 /nfs/dbraw/zinc/87/07/73/205870773.db2.gz FFGZQGVHUYYKTP-VWFIUDSGSA-N 1 0 392.565 2.943 40 0 GFABRO O=C(NC[C@@H]1COc2ccccc2O1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000225270108 206041491 /nfs/dbraw/zinc/04/14/91/206041491.db2.gz FFSWGERCVCODND-GOSISDBHSA-N 1 0 384.451 2.994 40 0 GFABRO Cc1ncc(-c2ccc(C[C@H]3CCC[N@H+](CC4(O)CCOCC4)C3)cn2)n1C ZINC000257223951 206162980 /nfs/dbraw/zinc/16/29/80/206162980.db2.gz DZQJMDIUUBGDLH-LJQANCHMSA-N 1 0 384.524 2.587 40 0 GFABRO COc1ccc(OC)c(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[NH2+]4)[nH]n2)c1 ZINC000257243193 206166747 /nfs/dbraw/zinc/16/67/47/206166747.db2.gz IFVYXOLJPYUCHN-RQNJPMPDSA-N 1 0 396.491 2.839 40 0 GFABRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3OC[C@@H](CNC(=O)C4CC(F)(F)C4)[C@H]3C2)c1 ZINC000306138551 206204454 /nfs/dbraw/zinc/20/44/54/206204454.db2.gz SAMJANJDEUKEMS-GUDVDZBRSA-N 1 0 378.463 2.912 40 0 GFABRO CC(C)c1ccc(C[N@H+]2C[C@@H]3c4nnc(C(=O)NC5CC5)n4CC[C@@H]3C2)cc1 ZINC000306140557 206205181 /nfs/dbraw/zinc/20/51/81/206205181.db2.gz UXELOJHQQSGGEJ-MJGOQNOKSA-N 1 0 379.508 2.913 40 0 GFABRO Cc1cccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)n1 ZINC000306138725 206205496 /nfs/dbraw/zinc/20/54/96/206205496.db2.gz SFUASXMBNIUGOK-IAGOWNOFSA-N 1 0 388.475 2.538 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccccc3F)C[C@H]1C2 ZINC000306134746 206202333 /nfs/dbraw/zinc/20/23/33/206202333.db2.gz NXBRFGVAZMRDIU-IAGOWNOFSA-N 1 0 391.450 2.974 40 0 GFABRO COc1ccc(C[NH+]2CCC3(CC2)CN(C)Cc2nnc(-c4ccco4)n23)cc1 ZINC000306134869 206203493 /nfs/dbraw/zinc/20/34/93/206203493.db2.gz OAGZKBAWZRCTPK-UHFFFAOYSA-N 1 0 393.491 2.983 40 0 GFABRO C[C@H]([C@H](O)c1ccccc1)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000066087823 206226320 /nfs/dbraw/zinc/22/63/20/206226320.db2.gz XVWDEHLVPDHPLZ-PXAZEXFGSA-N 1 0 378.270 2.837 40 0 GFABRO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3ccccn3)CCN21 ZINC000253399625 560040233 /nfs/dbraw/zinc/04/02/33/560040233.db2.gz JSKZMIYYOQMCIG-NRFANRHFSA-N 1 0 393.535 2.572 40 0 biogenic,in-vitro GFABRO C[NH+]1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000015674160 560230957 /nfs/dbraw/zinc/23/09/57/560230957.db2.gz SNUAVBXZHRIDAQ-CVEARBPZSA-N 1 0 396.413 2.957 40 0 biogenic,in-vitro GFABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccc(Br)c1 ZINC000585292708 565104148 /nfs/dbraw/zinc/10/41/48/565104148.db2.gz NPJGFKKCWWWHBH-KZNAEPCWSA-N 1 0 380.257 2.909 40 0 GFABRO Cc1c(F)cccc1Nc1cc(-c2ccccn2)nc(NCCC[NH+](C)C)n1 ZINC000328977260 570210460 /nfs/dbraw/zinc/21/04/60/570210460.db2.gz FSVMZLSVRCVCGB-UHFFFAOYSA-N 1 0 380.471 2.937 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2c(F)ccc(F)c2F)cc(C(F)(F)F)n1 ZINC000328999968 570211191 /nfs/dbraw/zinc/21/11/91/570211191.db2.gz JXPRXMJVCQEXOK-UHFFFAOYSA-N 1 0 393.335 2.864 40 0 GFABRO C[NH+](C)CCNc1nccc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329063792 570216030 /nfs/dbraw/zinc/21/60/30/570216030.db2.gz XFBKDQFHUDACKX-UHFFFAOYSA-N 1 0 381.402 2.911 40 0 GFABRO Cc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)cc1 ZINC000096225907 570220553 /nfs/dbraw/zinc/22/05/53/570220553.db2.gz GQDBQXMRFVBMIN-JOCHJYFZSA-N 1 0 378.476 2.769 40 0 GFABRO O=C(COc1ccccc1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096239941 570222067 /nfs/dbraw/zinc/22/20/67/570222067.db2.gz FORPKUMSGXTVGD-UHFFFAOYSA-N 1 0 395.503 2.602 40 0 GFABRO CN(C)CC[NH+]1CCC2(C[C@H](NC(=O)c3cccnc3)c3ccccc32)CC1 ZINC000096241442 570222442 /nfs/dbraw/zinc/22/24/42/570222442.db2.gz QQGTWGPOQFJMKO-NRFANRHFSA-N 1 0 378.520 2.852 40 0 GFABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NC(C)C)Cn2ccnc23)s1 ZINC000096243641 570223130 /nfs/dbraw/zinc/22/31/30/570223130.db2.gz BULGYXQTOJXBRX-QGZVFWFLSA-N 1 0 388.537 2.668 40 0 GFABRO CC[N@H+](C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O)C1CCCCC1 ZINC000585286268 570255710 /nfs/dbraw/zinc/25/57/10/570255710.db2.gz YGVNEOYNQNJCTJ-JTHBVZDNSA-N 1 0 388.552 2.598 40 0 GFABRO CCOc1cc(C[NH2+]CCN(CC)CC)ccc1OCC(=O)NC(C)(C)C ZINC000022075884 570321815 /nfs/dbraw/zinc/32/18/15/570321815.db2.gz NCQLLYUWQMTWHZ-UHFFFAOYSA-N 1 0 379.545 2.810 40 0 GFABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 ZINC000223261790 570454251 /nfs/dbraw/zinc/45/42/51/570454251.db2.gz OMIFSMXLCBXSCY-FFZOFVMBSA-N 1 0 399.564 2.596 40 0 GFABRO Cc1cc(C)n2ncc(C[N@@H+]3C[C@@H]4CC[C@@](O)(c5ncccc5C)[C@H]4C3)c2n1 ZINC000072389825 570576570 /nfs/dbraw/zinc/57/65/70/570576570.db2.gz DWDVNOSIESYJLT-JLMWRMLUSA-N 1 0 377.492 2.779 40 0 GFABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218563884 570928621 /nfs/dbraw/zinc/92/86/21/570928621.db2.gz ITJLHESTTAYOET-DYXWJJEUSA-N 1 0 387.501 2.697 40 0 GFABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218598380 570931578 /nfs/dbraw/zinc/93/15/78/570931578.db2.gz NHVPZIMWEBWGRF-WSTZPKSXSA-N 1 0 391.464 2.582 40 0 GFABRO COCC[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(O)cc1)CC2)C(C)C ZINC000585103446 570932267 /nfs/dbraw/zinc/93/22/67/570932267.db2.gz GKVZKSLAZRZLDP-FQEVSTJZSA-N 1 0 390.524 2.760 40 0 GFABRO Cc1cc(C)n2ncc(C[N@@H+]3C[C@@H](c4ccccc4)[C@]4(C3)CCCC(=O)N4)c2n1 ZINC000019116588 570957083 /nfs/dbraw/zinc/95/70/83/570957083.db2.gz SZLNYVGHGYCJSX-NZQKXSOJSA-N 1 0 389.503 2.984 40 0 GFABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3cccc(F)c3)[nH]c(=O)c2C1 ZINC000019448271 570984598 /nfs/dbraw/zinc/98/45/98/570984598.db2.gz LPDRHVHJQOIAIF-LJQANCHMSA-N 1 0 398.482 2.582 40 0 GFABRO CC(C)c1nnc(CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@@H+]3C)[nH]1 ZINC000019453448 570985941 /nfs/dbraw/zinc/98/59/41/570985941.db2.gz MAMFWMCNNPGSHI-MBOZVWFJSA-N 1 0 385.487 2.699 40 0 GFABRO COc1cc(C[N@@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cc(OC)c1OC ZINC000019453741 570986221 /nfs/dbraw/zinc/98/62/21/570986221.db2.gz XMBHMAJPROHYCF-UHFFFAOYSA-N 1 0 387.480 2.520 40 0 GFABRO C[C@@H]1CCc2onc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@@H+](C)C4)c2C1 ZINC000019497125 570989979 /nfs/dbraw/zinc/98/99/79/570989979.db2.gz IDEOWRDIRPUADZ-DYVFJYSZSA-N 1 0 381.480 2.555 40 0 GFABRO CCN1C[C@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)CC1=O ZINC000019526974 570997632 /nfs/dbraw/zinc/99/76/32/570997632.db2.gz SGVPGSRUIGDLSW-LYSIVYOWSA-N 1 0 387.499 2.521 40 0 GFABRO Cc1cn2c(ncc(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+](C)C)c2=O)s1 ZINC000019660222 571025540 /nfs/dbraw/zinc/02/55/40/571025540.db2.gz WOJKDPZOTUSNRF-OAHLLOKOSA-N 1 0 390.896 2.751 40 0 GFABRO Cc1ccccc1N1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000019714008 571035606 /nfs/dbraw/zinc/03/56/06/571035606.db2.gz BZSGDLHKGDTIDF-SFHVURJKSA-N 1 0 392.503 2.524 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccncc2)n1 ZINC000328955334 571046686 /nfs/dbraw/zinc/04/66/86/571046686.db2.gz ABXGMTHBAKDCDK-UHFFFAOYSA-N 1 0 386.862 2.892 40 0 GFABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3cnn(C)c3)CC2)Oc2ccccc21 ZINC000096053150 571098006 /nfs/dbraw/zinc/09/80/06/571098006.db2.gz OVXQUXIPPWRNQT-GOSISDBHSA-N 1 0 382.508 2.799 40 0 GFABRO COC(=O)[C@@H]1CC(=O)N(c2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000072228536 209109720 /nfs/dbraw/zinc/10/97/20/209109720.db2.gz HYARWHHTOPSAAT-LJQANCHMSA-N 1 0 393.487 2.535 40 0 GFABRO Cc1ccc(-c2nnc3n(c2=O)CCC32CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000306143832 209107834 /nfs/dbraw/zinc/10/78/34/209107834.db2.gz YNSFIXXYPLUECO-UHFFFAOYSA-N 1 0 387.487 2.946 40 0 GFABRO Cc1c(Br)cccc1Nc1cc(C2CC2)nc(NCC[NH+](C)C)n1 ZINC000328994442 206239048 /nfs/dbraw/zinc/23/90/48/206239048.db2.gz JDUVIKYVWCWLPW-UHFFFAOYSA-N 1 0 390.329 2.986 40 0 GFABRO C[NH+](C)CCNc1nc(NCc2ccc(Cl)cc2)cc(-c2cccnc2)n1 ZINC000329008972 206240551 /nfs/dbraw/zinc/24/05/51/206240551.db2.gz LTSMGSFVDSCNOD-UHFFFAOYSA-N 1 0 382.899 2.621 40 0 GFABRO Cc1c(F)cccc1Nc1cc(-c2ccncc2)nc(NCCC[NH+](C)C)n1 ZINC000329017453 206240693 /nfs/dbraw/zinc/24/06/93/206240693.db2.gz NMFQQRKDUPBGEW-UHFFFAOYSA-N 1 0 380.471 2.937 40 0 GFABRO CCn1nc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCCC2)c2ccccc2c1=O ZINC000012238139 206874866 /nfs/dbraw/zinc/87/48/66/206874866.db2.gz NNKOMRQETMJKHA-GOSISDBHSA-N 1 0 396.535 2.826 40 0 GFABRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2)CC1 ZINC000018091466 207092994 /nfs/dbraw/zinc/09/29/94/207092994.db2.gz VQQFJTGEJNDMHP-UHFFFAOYSA-N 1 0 378.476 2.818 40 0 GFABRO COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019078803 207101112 /nfs/dbraw/zinc/10/11/12/207101112.db2.gz FSUXKVBEFDDMMY-YJBOKZPZSA-N 1 0 396.491 2.604 40 0 GFABRO CC(C)(C)Nc1c(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)[nH+]c2ccccn21 ZINC000019083118 207103124 /nfs/dbraw/zinc/10/31/24/207103124.db2.gz UQOSUPKUBRVJDT-OAHLLOKOSA-N 1 0 383.496 2.529 40 0 GFABRO Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CC[NH2+]C4)C2)c(C)c1 ZINC000019132720 207104339 /nfs/dbraw/zinc/10/43/39/207104339.db2.gz AXCJTLDZKQPVEQ-ROUUACIJSA-N 1 0 394.519 2.913 40 0 GFABRO CC(=O)N1CCc2nc(C3CC[NH+](CCOc4cccc(C)c4)CC3)ncc2C1 ZINC000019235188 207109241 /nfs/dbraw/zinc/10/92/41/207109241.db2.gz RFQXTISZYRNPGS-UHFFFAOYSA-N 1 0 394.519 2.948 40 0 GFABRO Cc1nc(C)n(CC(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)n1 ZINC000019285763 207112378 /nfs/dbraw/zinc/11/23/78/207112378.db2.gz JVISOTYQCGJSCH-ZVDOUQERSA-N 1 0 385.487 2.561 40 0 GFABRO c1cncc(C[N@@H+](CCCN2CCOCC2)Cc2ccc3nccnc3c2)c1 ZINC000019338588 207115968 /nfs/dbraw/zinc/11/59/68/207115968.db2.gz GZYMZLFZXTTXFO-UHFFFAOYSA-N 1 0 377.492 2.749 40 0 GFABRO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@@H]3CC[N@H+](Cc4cccs4)C3)nc2C1 ZINC000019343392 207116741 /nfs/dbraw/zinc/11/67/41/207116741.db2.gz FADMKYRVQMEWAR-OAHLLOKOSA-N 1 0 398.532 2.506 40 0 GFABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)c2cccnc21 ZINC000019346689 207118627 /nfs/dbraw/zinc/11/86/27/207118627.db2.gz XXGLZMQMWILGQB-MRXNPFEDSA-N 1 0 397.910 2.992 40 0 GFABRO Cc1cnc(-c2nnc([C@H]3CCN(C(=O)c4ccc(C[NH+](C)C)cc4)C3)o2)cn1 ZINC000019239165 207111172 /nfs/dbraw/zinc/11/11/72/207111172.db2.gz JQCRSEQGOGXCMP-KRWDZBQOSA-N 1 0 392.463 2.526 40 0 GFABRO COc1ccc([C@@H](O)CN2CCC([NH+]3CCC(C)CC3)CC2)cc1NC(C)=O ZINC000019496843 207125194 /nfs/dbraw/zinc/12/51/94/207125194.db2.gz LPKQWLIJIUIFGD-NRFANRHFSA-N 1 0 389.540 2.883 40 0 GFABRO CCCCn1nc(C)c(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)c1C ZINC000019502411 207127406 /nfs/dbraw/zinc/12/74/06/207127406.db2.gz BSHDDLXMOSPVOW-UHFFFAOYSA-N 1 0 398.555 2.584 40 0 GFABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000019500331 207127450 /nfs/dbraw/zinc/12/74/50/207127450.db2.gz MTYXFVHFGXBJAB-HNNXBMFYSA-N 1 0 390.528 2.634 40 0 GFABRO Cc1cc(C)cc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019569746 207137155 /nfs/dbraw/zinc/13/71/55/207137155.db2.gz HWHAFWVCNSMBSX-QZTJIDSGSA-N 1 0 394.519 2.913 40 0 GFABRO Cc1nn([C@H](C)CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)c(C)c1C ZINC000019556141 207132963 /nfs/dbraw/zinc/13/29/63/207132963.db2.gz NKJCJEADZXZPHI-BFUOFWGJSA-N 1 0 382.512 2.559 40 0 GFABRO Nc1n[nH]c2nc([C@H]3CCCCN3C(=O)C[NH+]3CCCC3)cc(C(F)(F)F)c12 ZINC000019695540 207148446 /nfs/dbraw/zinc/14/84/46/207148446.db2.gz MGVOLBZBSYRBOX-CYBMUJFWSA-N 1 0 396.417 2.708 40 0 GFABRO Cc1cccc(OC(C)(C)C(=O)N2CCc3nnc([C@H]4CCC[NH2+]4)n3CC2)c1C ZINC000019706432 207150024 /nfs/dbraw/zinc/15/00/24/207150024.db2.gz OZRFJQYPNLZBTD-QGZVFWFLSA-N 1 0 397.523 2.562 40 0 GFABRO COc1ccccc1CCC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019590396 207141684 /nfs/dbraw/zinc/14/16/84/207141684.db2.gz FNYWZBSMSKOZTQ-GOSISDBHSA-N 1 0 394.519 2.812 40 0 GFABRO COc1ccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1 ZINC000019590293 207142355 /nfs/dbraw/zinc/14/23/55/207142355.db2.gz BWEZXMVFJAXVPZ-FQEVSTJZSA-N 1 0 380.492 2.769 40 0 GFABRO CNc1ncc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3[NH2+]CCCCC[C@H]32)cn1 ZINC000019592364 207144091 /nfs/dbraw/zinc/14/40/91/207144091.db2.gz DZCPLXIPZGSUAS-OTWHNJEPSA-N 1 0 383.471 2.798 40 0 GFABRO O=C(NC1CCOCC1)c1ccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019706076 207150585 /nfs/dbraw/zinc/15/05/85/207150585.db2.gz ZTUTYSXYEMHZPA-GOSISDBHSA-N 1 0 380.492 2.765 40 0 GFABRO CNc1cc([C@H]2CCC[NH2+]C2)nc(CN(C)C(=O)CCc2ccc(OC)cc2)n1 ZINC000019709954 207152861 /nfs/dbraw/zinc/15/28/61/207152861.db2.gz NLVTZYXAHOKMKL-KRWDZBQOSA-N 1 0 397.523 2.585 40 0 GFABRO Cc1cc(C)nc(N2CCC(CC(=O)N3CC[NH+](C4CCCC4)CC3)CC2)n1 ZINC000019748175 207156733 /nfs/dbraw/zinc/15/67/33/207156733.db2.gz VYJWCQDANWXYDV-UHFFFAOYSA-N 1 0 385.556 2.787 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000020636713 207209320 /nfs/dbraw/zinc/20/93/20/207209320.db2.gz PGVANTOMROFXNR-UXHICEINSA-N 1 0 391.471 2.760 40 0 GFABRO CCOc1ccc(N2CN(CCC[NH+](C)C)Cn3c(=O)c(C)c(C)nc32)cc1 ZINC000038829988 207562089 /nfs/dbraw/zinc/56/20/89/207562089.db2.gz POLWDOLUEQLSNZ-UHFFFAOYSA-N 1 0 385.512 2.579 40 0 GFABRO O=C(N[C@H]1CCCOC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373041 208004716 /nfs/dbraw/zinc/00/47/16/208004716.db2.gz KTSMHVQMKCNDOR-FKBYEOEOSA-N 1 0 392.499 2.913 40 0 GFABRO Cn1cc(C[NH+]2CCC3(CC2)c2ncc(-c4cccc(F)c4)n2CCN3C)cn1 ZINC000096036962 208255562 /nfs/dbraw/zinc/25/55/62/208255562.db2.gz VXPPSKMCMQXSMC-UHFFFAOYSA-N 1 0 394.498 2.859 40 0 GFABRO O=S1(=O)NCC2(CC[NH+](Cc3cccs3)CC2)COc2ccccc21 ZINC000096037111 208256331 /nfs/dbraw/zinc/25/63/31/208256331.db2.gz MQKXTBYVIDEKBB-UHFFFAOYSA-N 1 0 378.519 2.701 40 0 GFABRO CCOC(=O)[C@@]12C[N@H+](CCOC)C[C@@H]1CN(Cc1ccc(C)s1)CCC2 ZINC000096055962 208257286 /nfs/dbraw/zinc/25/72/86/208257286.db2.gz QUTRXEHLCDIKSI-PXNSSMCTSA-N 1 0 380.554 2.780 40 0 GFABRO COc1ccc(C[N@@H+]2CCc3ccc(=O)n(Cc4cccnc4)c3CC2)cc1 ZINC000096059354 208259522 /nfs/dbraw/zinc/25/95/22/208259522.db2.gz UNRMVNXGZRLGGW-UHFFFAOYSA-N 1 0 375.472 2.901 40 0 GFABRO CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CC[N@H+](Cc1ccsc1)C2 ZINC000096077316 208261396 /nfs/dbraw/zinc/26/13/96/208261396.db2.gz DGPYVZGCCIETLL-GOSISDBHSA-N 1 0 375.519 2.649 40 0 GFABRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2CC1CC1 ZINC000096143917 208270762 /nfs/dbraw/zinc/27/07/62/208270762.db2.gz MKDJMGBNBBDDLW-GMAHTHKFSA-N 1 0 377.488 2.950 40 0 GFABRO COc1ncccc1C[N@@H+]1CC[C@]2(C[C@H](OCc3csc(C)n3)CO2)C1 ZINC000096218483 208287316 /nfs/dbraw/zinc/28/73/16/208287316.db2.gz BGLHLMKQWQPXGM-HKUYNNGSSA-N 1 0 375.494 2.805 40 0 GFABRO Cc1ccc(C(=O)C2=C3C(O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 ZINC000101344934 208392847 /nfs/dbraw/zinc/39/28/47/208392847.db2.gz WZYOORBBJIMWMJ-YSTOQKLRSA-N 1 0 392.430 2.969 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](CCc3ccccc3)C[C@H]1C2 ZINC000306138055 209103946 /nfs/dbraw/zinc/10/39/46/209103946.db2.gz RNUSJYDWUFQHLY-RTBURBONSA-N 1 0 387.487 2.877 40 0 GFABRO CC(C)NC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccccc2F)CC1 ZINC000306137242 209103274 /nfs/dbraw/zinc/10/32/74/209103274.db2.gz QQGXBCLBFBLNPW-UHFFFAOYSA-N 1 0 385.487 2.784 40 0 GFABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccco3)C[C@H]1C2 ZINC000306131086 209098833 /nfs/dbraw/zinc/09/88/33/209098833.db2.gz JWDBWYNCCMBXFT-KGLIPLIRSA-N 1 0 381.411 2.567 40 0 GFABRO Nc1nc(CC(=O)Nc2ccc(CC[NH2+]C[C@@H](O)c3ccccc3)cc2)cs1 ZINC000044136504 209096085 /nfs/dbraw/zinc/09/60/85/209096085.db2.gz PBAPPPCECJKMCM-LJQANCHMSA-N 1 0 396.516 2.772 40 0 in-vitro GFABRO COc1cc2c(cc1OC)CN(c1cc(N[C@@H](CO)C(C)C)[nH+]c(C)n1)CC2 ZINC000329004271 533173140 /nfs/dbraw/zinc/17/31/40/533173140.db2.gz KQQQVRAEDGWVOZ-KRWDZBQOSA-N 1 0 386.496 2.794 40 0 GFABRO Cc1cnn(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@H]3Cc2ccccc2)c1 ZINC000257214598 209058024 /nfs/dbraw/zinc/05/80/24/209058024.db2.gz CMPFOOKSKXEEMC-KHYDEXNFSA-N 1 0 378.520 2.934 40 0 GFABRO CNC(=O)c1cnn2c1nccc2C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000257275779 209067233 /nfs/dbraw/zinc/06/72/33/209067233.db2.gz NQVSLWCMLDDDRV-UHFFFAOYSA-N 1 0 385.418 2.747 40 0 GFABRO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@H+](CC(=O)NC3CCCCC3)CC[C@H]21 ZINC000257304740 209073407 /nfs/dbraw/zinc/07/34/07/209073407.db2.gz SMZCJICUKJOIJG-YPAWHYETSA-N 1 0 383.536 2.772 40 0 GFABRO CCc1cc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1OC ZINC000113969782 536157429 /nfs/dbraw/zinc/15/74/29/536157429.db2.gz MWFSKTUHXVELTI-UHFFFAOYSA-N 1 0 389.521 2.810 40 0 GFABRO O=C1CC2(CCCC2)CC(=O)N1CCCC[NH2+]C[C@H]1COc2ccccc2O1 ZINC000002557963 560187695 /nfs/dbraw/zinc/18/76/95/560187695.db2.gz HCVRCHQFYYZPHT-KRWDZBQOSA-N 1 0 386.492 2.906 40 0 in-vitro GFABRO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1)c1ccccc1 ZINC000004260317 560197963 /nfs/dbraw/zinc/19/79/63/560197963.db2.gz JBOJNTBDZQISPT-FUHWJXTLSA-N 1 0 393.487 2.699 40 0 biogenic,in-vitro GFABRO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1cccc(F)c1 ZINC000585262321 570230100 /nfs/dbraw/zinc/23/01/00/570230100.db2.gz YYGOUBMPHKDHPC-CZYKHXBRSA-N 1 0 398.478 2.991 40 0 GFABRO CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@@H+]1CC1(O)CCCCCC1 ZINC000585284670 570253693 /nfs/dbraw/zinc/25/36/93/570253693.db2.gz UXEDHNCRCYWJSF-NCYKPQTJSA-N 1 0 380.573 2.982 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccccc1C ZINC000020801245 570281431 /nfs/dbraw/zinc/28/14/31/570281431.db2.gz LLOGGXDSZYYIBL-WOJBJXKFSA-N 1 0 391.471 2.760 40 0 GFABRO O=S(=O)(Cc1ccccc1)N1C[C@H]2CN(Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000107798528 570310962 /nfs/dbraw/zinc/31/09/62/570310962.db2.gz HGSIBYOOHYUPLA-MJGOQNOKSA-N 1 0 376.909 2.986 40 0 GFABRO O=S(=O)(N[C@H]1CCOC2(CC[NH+](Cc3ccccc3Cl)CC2)C1)C1CC1 ZINC000108526102 570313074 /nfs/dbraw/zinc/31/30/74/570313074.db2.gz XUZVOJLNGQCMJF-INIZCTEOSA-N 1 0 398.956 2.935 40 0 GFABRO C[NH+]1CCN(c2cccc(-c3noc(-c4coc(-c5cccnc5)n4)n3)n2)CC1 ZINC000685938941 570398235 /nfs/dbraw/zinc/39/82/35/570398235.db2.gz WJCAAZMDZWGXHE-UHFFFAOYSA-N 1 0 389.419 2.600 40 0 GFABRO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccccc2)c2ccc(F)cc2)CC1 ZINC000035291334 570459735 /nfs/dbraw/zinc/45/97/35/570459735.db2.gz SUVBQAVLDAICGQ-HXUWFJFHSA-N 1 0 380.471 2.587 40 0 GFABRO CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccccc4)CC3)ccc21 ZINC000036741190 570569155 /nfs/dbraw/zinc/56/91/55/570569155.db2.gz HZCKGZDHGRZGHX-QHCPKHFHSA-N 1 0 379.504 2.841 40 0 GFABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1c(C)nc(-c2ccccc2)nc1OC ZINC000012239744 570630029 /nfs/dbraw/zinc/63/00/29/570630029.db2.gz ZCKZZJBJEWEMAA-SFHVURJKSA-N 1 0 382.508 2.994 40 0 GFABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)OCCO2 ZINC000012293383 570633792 /nfs/dbraw/zinc/63/37/92/570633792.db2.gz OLURAHSSWPUPKF-MOPGFXCFSA-N 1 0 397.471 2.842 40 0 GFABRO COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cc1 ZINC000012366385 570647271 /nfs/dbraw/zinc/64/72/71/570647271.db2.gz LRIKOAGUWQTDBS-QIDMFYOTSA-N 1 0 383.492 2.509 40 0 GFABRO Cc1ccc(C[N@H+]2Cc3cccn3C[C@H](CCOCC(=O)N(C)C)C2)s1 ZINC000585095292 570921635 /nfs/dbraw/zinc/92/16/35/570921635.db2.gz NQIVVCOLRYPOPE-QGZVFWFLSA-N 1 0 375.538 2.985 40 0 GFABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000119911293 570924658 /nfs/dbraw/zinc/92/46/58/570924658.db2.gz PZCJSJAMALAIBG-NSHDSACASA-N 1 0 377.794 2.898 40 0 GFABRO CCN(CC)C(=O)[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585102013 570928049 /nfs/dbraw/zinc/92/80/49/570928049.db2.gz XXIYHRQGRCHKTR-OAQYLSRUSA-N 1 0 396.535 2.969 40 0 GFABRO CC(C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104953 570934176 /nfs/dbraw/zinc/93/41/76/570934176.db2.gz WMCFPNXXWXNOBH-HXUWFJFHSA-N 1 0 386.521 2.664 40 0 GFABRO CCCN1CCN(C(=O)C[NH3+])C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183573 571000529 /nfs/dbraw/zinc/00/05/29/571000529.db2.gz BXEBAFWXIBAZNJ-OAQYLSRUSA-N 1 0 379.504 2.552 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)NCCC[NH+]2CCCC2)[C@@H]1c1ccccc1F ZINC000257240808 222762297 /nfs/dbraw/zinc/76/22/97/222762297.db2.gz HVGZLRANTQETJB-XLIONFOSSA-N 1 0 375.488 2.727 40 0 GFABRO O=C(COc1ccccc1)N1CCO[C@@]2(CCCC[C@@H]2[NH2+]Cc2cccnc2)C1 ZINC000306143353 209109302 /nfs/dbraw/zinc/10/93/02/209109302.db2.gz XZZJACVFRWWJGY-GMAHTHKFSA-N 1 0 395.503 2.790 40 0 GFABRO O=C1N(CC2CC2)CCO[C@]12C[N@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306145109 209108804 /nfs/dbraw/zinc/10/88/04/209108804.db2.gz ZYKYTVFMTKOQFP-FPOVZHCZSA-N 1 0 383.517 2.750 40 0 GFABRO CC[C@H](C)CNC(=O)c1ccc2ncc(N3CC[NH+](CC4CC4)CC3)nc2c1 ZINC000306142655 209107666 /nfs/dbraw/zinc/10/76/66/209107666.db2.gz XFPXTOXPHKVTCI-INIZCTEOSA-N 1 0 381.524 2.938 40 0 GFABRO C[NH+](C)CCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccncc2)n1 ZINC000329026228 206240903 /nfs/dbraw/zinc/24/09/03/206240903.db2.gz PKWLEZWDYYVRHL-UHFFFAOYSA-N 1 0 398.461 2.636 40 0 GFABRO CCOc1cc(NC(=S)NCCC[NH+](C)C)c(OCC)cc1NC(C)=O ZINC000004127379 206260346 /nfs/dbraw/zinc/26/03/46/206260346.db2.gz OZBABFPTKQEGHF-UHFFFAOYSA-N 1 0 382.530 2.681 40 0 GFABRO C[N@@H+]1CCc2nc(C3CCN(C(=O)c4cc(C(C)(C)C)n[nH]4)CC3)ncc2C1 ZINC000019083596 207103146 /nfs/dbraw/zinc/10/31/46/207103146.db2.gz OMCNJTDLRIJBIF-UHFFFAOYSA-N 1 0 382.512 2.505 40 0 GFABRO Cc1ccnn1CCC(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019238388 207111413 /nfs/dbraw/zinc/11/14/13/207111413.db2.gz XWGMBZQJLFPVSY-UHFFFAOYSA-N 1 0 382.508 2.904 40 0 GFABRO Cc1nccn1CC1(O)CC[NH+](Cc2cnc(-c3ccccc3C)nc2)CC1 ZINC000019237543 207111873 /nfs/dbraw/zinc/11/18/73/207111873.db2.gz WBRAYYRZNAYXHF-UHFFFAOYSA-N 1 0 377.492 2.984 40 0 GFABRO O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019345627 207116804 /nfs/dbraw/zinc/11/68/04/207116804.db2.gz DTJUQVXIXMAFCX-HXUWFJFHSA-N 1 0 390.531 2.950 40 0 GFABRO CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019499413 207124621 /nfs/dbraw/zinc/12/46/21/207124621.db2.gz XLMPTCJXRPZZNA-ROUUACIJSA-N 1 0 384.455 2.783 40 0 GFABRO CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019503649 207127469 /nfs/dbraw/zinc/12/74/69/207127469.db2.gz NURVOBSOJFYPFL-PMACEKPBSA-N 1 0 393.535 2.819 40 0 GFABRO O=C(c1ccnc(N2CCOCC2)c1)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019403677 207122523 /nfs/dbraw/zinc/12/25/23/207122523.db2.gz AUGZJHDIXDSRCY-HXUWFJFHSA-N 1 0 386.540 2.789 40 0 GFABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3cccs3)[nH]c(=O)c2C1 ZINC000019448287 207122647 /nfs/dbraw/zinc/12/26/47/207122647.db2.gz ZQAUUWPCEWCFQF-QGZVFWFLSA-N 1 0 386.521 2.504 40 0 GFABRO Cc1c2ccccc2[nH]c1C(=O)N1CC[C@@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019565828 207136317 /nfs/dbraw/zinc/13/63/17/207136317.db2.gz GJARIJMQDRNSSZ-OAHLLOKOSA-N 1 0 388.475 2.809 40 0 GFABRO Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@H]4CCC[N@H+](C)C4)ncc3C2)n1 ZINC000019572959 207138156 /nfs/dbraw/zinc/13/81/56/207138156.db2.gz RAUMBXGHZARRDO-MSOLQXFVSA-N 1 0 396.539 2.635 40 0 GFABRO COc1cccc([C@H]2CN(C(=O)CCc3c(C)n[nH]c3C)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019578910 207138553 /nfs/dbraw/zinc/13/85/53/207138553.db2.gz XRQGBJQFHVCLFB-KCZVDYSFSA-N 1 0 382.508 2.714 40 0 GFABRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)ccc1OC ZINC000019531970 207131293 /nfs/dbraw/zinc/13/12/93/207131293.db2.gz FKCAAKYMRFWKRB-QGZVFWFLSA-N 1 0 383.492 2.976 40 0 GFABRO Cc1nn([C@@H](C)CC(=O)N2CCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)c(C)c1C ZINC000019556143 207132014 /nfs/dbraw/zinc/13/20/14/207132014.db2.gz NKJCJEADZXZPHI-DJJJIMSYSA-N 1 0 382.512 2.559 40 0 GFABRO Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c(C)c1C ZINC000019556150 207132169 /nfs/dbraw/zinc/13/21/69/207132169.db2.gz QQWUSNZSJIRRLC-VLIAUNLRSA-N 1 0 396.539 2.949 40 0 GFABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4ccccc4o2)CC3)C1 ZINC000019709293 207150231 /nfs/dbraw/zinc/15/02/31/207150231.db2.gz VPOKULJJXWFTQU-MRXNPFEDSA-N 1 0 379.464 2.532 40 0 GFABRO COC(=O)c1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1 ZINC000019592538 207144527 /nfs/dbraw/zinc/14/45/27/207144527.db2.gz SYFJWWIGAKXOES-UHFFFAOYSA-N 1 0 390.487 2.953 40 0 GFABRO Cc1nccn1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)nc(C)n3C)C1 ZINC000019658009 207144894 /nfs/dbraw/zinc/14/48/94/207144894.db2.gz UECZSHHQJNQWLE-KRWDZBQOSA-N 1 0 380.496 2.737 40 0 GFABRO c1ccc2[nH]c(C[C@@H]3CCC[N@H+](Cc4ccnc(N5CCOCC5)n4)C3)nc2c1 ZINC000019657871 207145805 /nfs/dbraw/zinc/14/58/05/207145805.db2.gz RDBMPZKJVUTKEL-KRWDZBQOSA-N 1 0 392.507 2.644 40 0 GFABRO O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000019657785 207145830 /nfs/dbraw/zinc/14/58/30/207145830.db2.gz LZFUQKJXQGBODL-CYBMUJFWSA-N 1 0 392.385 2.881 40 0 GFABRO C[C@@H](NC(=O)C1CC[NH+](CCc2ccccn2)CC1)c1ccc2c(c1)OCCO2 ZINC000019654769 207145924 /nfs/dbraw/zinc/14/59/24/207145924.db2.gz PZDXCAIHQZDHRB-QGZVFWFLSA-N 1 0 395.503 2.985 40 0 GFABRO Cc1oc2c(c1C(=O)N1CCc3nnc([C@H]4CCC[N@@H+](C)C4)n3CC1)CCCC2 ZINC000019709264 207151138 /nfs/dbraw/zinc/15/11/38/207151138.db2.gz YAECNBCJEXHQJC-INIZCTEOSA-N 1 0 397.523 2.566 40 0 GFABRO C[NH+]1CCC(c2nnc3n2CCN(C(=O)C(C)(C)c2cccc(F)c2)C3)CC1 ZINC000019711013 207151644 /nfs/dbraw/zinc/15/16/44/207151644.db2.gz CWRCWUPXRYYMHK-UHFFFAOYSA-N 1 0 385.487 2.546 40 0 GFABRO CCn1nc([C@H](C)C(=O)NCC(C)(C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC000019716941 207154555 /nfs/dbraw/zinc/15/45/55/207154555.db2.gz YTUMTYITUBODES-INIZCTEOSA-N 1 0 384.524 2.901 40 0 GFABRO CCn1cc(-c2cc(NC[C@H](c3ccccc3OC)[NH+](C)C)nc(N)n2)cn1 ZINC000019718025 207155570 /nfs/dbraw/zinc/15/55/70/207155570.db2.gz XFTKKZRASWUCCW-QGZVFWFLSA-N 1 0 381.484 2.666 40 0 GFABRO Cn1cc(-c2cc(NC[C@H](c3ccc(F)cc3)[NH+]3CCCC3)nc(N)n2)cn1 ZINC000019718040 207156284 /nfs/dbraw/zinc/15/62/84/207156284.db2.gz HZZDJXRHZYKOKA-GOSISDBHSA-N 1 0 381.459 2.847 40 0 GFABRO COc1cccc(-c2cncc(C3CCN(C(=O)C[NH+]4CCCC4)CC3)n2)c1 ZINC000072359675 208003092 /nfs/dbraw/zinc/00/30/92/208003092.db2.gz XBCYZQDCIRCUBU-UHFFFAOYSA-N 1 0 380.492 2.954 40 0 GFABRO C[N@H+]1CCc2nnc([C@@H]3CCCN3C(=O)C(C)(C)c3cccc(F)c3)n2CC1 ZINC000072372759 208004613 /nfs/dbraw/zinc/00/46/13/208004613.db2.gz ITHFIJCTHTYFBD-KRWDZBQOSA-N 1 0 385.487 2.546 40 0 GFABRO CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000096036768 208256929 /nfs/dbraw/zinc/25/69/29/208256929.db2.gz VKOPYHNKXFWKMH-QGZVFWFLSA-N 1 0 388.537 2.607 40 0 GFABRO Cn1cc(N2CCN(Cc3ccccc3)C3(CC[NH+](CC4CC4)CC3)C2=O)cn1 ZINC000096230353 208290758 /nfs/dbraw/zinc/29/07/58/208290758.db2.gz XOEABGGVUOWZRS-UHFFFAOYSA-N 1 0 393.535 2.514 40 0 GFABRO Cc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)n1 ZINC000306138726 209105331 /nfs/dbraw/zinc/10/53/31/209105331.db2.gz SFUASXMBNIUGOK-IRXDYDNUSA-N 1 0 388.475 2.538 40 0 GFABRO COCCn1cnc2c1C1(CC[NH+](Cc3cnn(C)c3)CC1)Oc1ccccc1-2 ZINC000306136933 209104463 /nfs/dbraw/zinc/10/44/63/209104463.db2.gz QHAKRWGDNJPPHA-UHFFFAOYSA-N 1 0 393.491 2.814 40 0 GFABRO C[NH+](C)C[C@@H]1CC[C@]2(COCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)O1 ZINC000306138124 209103457 /nfs/dbraw/zinc/10/34/57/209103457.db2.gz RPVYTRKQMULVPO-ICSRJNTNSA-N 1 0 392.927 2.710 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccccc3F)C[C@@H]1C2 ZINC000306134747 209101952 /nfs/dbraw/zinc/10/19/52/209101952.db2.gz NXBRFGVAZMRDIU-IRXDYDNUSA-N 1 0 391.450 2.974 40 0 GFABRO CCc1ccc(C[NH+]2CCC3(CC2)CN(C(=O)OC)Cc2nnc(C)n23)cc1 ZINC000306134606 209101499 /nfs/dbraw/zinc/10/14/99/209101499.db2.gz NTMKVRZEIGPELV-UHFFFAOYSA-N 1 0 383.496 2.722 40 0 GFABRO Cc1ccsc1C[N@@H+]1C[C@@H]2CCn3c(C(=O)NCc4ccco4)nnc3[C@H]2C1 ZINC000306128372 209099540 /nfs/dbraw/zinc/09/95/40/209099540.db2.gz GYQOAJMPIUDIPW-HOCLYGCPSA-N 1 0 397.504 2.790 40 0 GFABRO Cc1cccc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cn(CC(C)C)nc23)n1 ZINC000306127134 209097920 /nfs/dbraw/zinc/09/79/20/209097920.db2.gz FPFXRQRSTLFJFO-UHFFFAOYSA-N 1 0 381.524 2.862 40 0 GFABRO C[NH+](C)CC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1 ZINC000257213368 209057128 /nfs/dbraw/zinc/05/71/28/209057128.db2.gz CHGIWIAJJNPXFW-UHFFFAOYSA-N 1 0 385.533 2.613 40 0 GFABRO CCCN1CC[N@H+](CCC(N)=O)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000257244123 209059541 /nfs/dbraw/zinc/05/95/41/209059541.db2.gz IJYIFPUDXQLDNS-QFIPXVFZSA-N 1 0 393.531 2.942 40 0 GFABRO CC(=O)NC1CCN(C(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)CC1 ZINC000257270406 209064730 /nfs/dbraw/zinc/06/47/30/209064730.db2.gz MUCAGJVZIBZROY-UHFFFAOYSA-N 1 0 380.492 2.551 40 0 GFABRO COc1cccc(OC)c1OCC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@@H+]2C ZINC000257291045 209068334 /nfs/dbraw/zinc/06/83/34/209068334.db2.gz QFINMOPQVIZNMT-XCRNZQRYSA-N 1 0 388.508 2.946 40 0 GFABRO CCN1C(=O)C[C@@H](C(=O)NCCC[NH+]2CCCC2)[C@@H]1c1ccccc1Cl ZINC000257343459 209079283 /nfs/dbraw/zinc/07/92/83/209079283.db2.gz ZTDBMTKPKCFNTO-APWZRJJASA-N 1 0 377.916 2.852 40 0 GFABRO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](CC4CCCC4)C[C@H]2N(C)C3=O)cn1 ZINC000514289317 560032962 /nfs/dbraw/zinc/03/29/62/560032962.db2.gz ICAKWACBBLLEKO-CTNGQTDRSA-N 1 0 380.492 2.795 40 0 biogenic,in-vitro GFABRO c1cc(-c2cncnc2)ncc1-c1noc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000049155332 560083941 /nfs/dbraw/zinc/08/39/41/560083941.db2.gz MSUBJKQFIHICGX-SFHVURJKSA-N 1 0 378.436 2.905 40 0 biogenic,in-vitro GFABRO CC(=O)N1CC[N@@H+](C2CCCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284230 570253512 /nfs/dbraw/zinc/25/35/12/570253512.db2.gz VWDRGDOXPCPPSE-OAQYLSRUSA-N 1 0 378.488 2.741 40 0 GFABRO CC[N@H+](C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O)C1CCCCC1 ZINC000585285201 570254410 /nfs/dbraw/zinc/25/44/10/570254410.db2.gz PBHMNKUXLSNKFL-FPOVZHCZSA-N 1 0 394.943 2.933 40 0 GFABRO O=C(c1cscn1)N1C[C@H]2CN(C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107249488 570309130 /nfs/dbraw/zinc/30/91/30/570309130.db2.gz DZGUPYCGOPTRNK-FXAWDEMLSA-N 1 0 382.533 2.564 40 0 GFABRO Cn1c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4F)CC3)cc2n(C)c1=O ZINC000039762729 570446163 /nfs/dbraw/zinc/44/61/63/570446163.db2.gz NZJFYEUZXLLJHC-UHFFFAOYSA-N 1 0 396.466 2.867 40 0 GFABRO CC1(C)O[C@H]2O[C@H](C[NH2+]Cc3ccc(OCc4ccccc4)cc3)[C@H](O)[C@H]2O1 ZINC000035572449 570554881 /nfs/dbraw/zinc/55/48/81/570554881.db2.gz SOAWGIFISUHRTO-PLACYPQZSA-N 1 0 385.460 2.593 40 0 GFABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@H](O)c2ccc3c(c2)OCCCO3)C1 ZINC000036741285 570569333 /nfs/dbraw/zinc/56/93/33/570569333.db2.gz FQQOAKRNTCAAEB-CVDCTZTESA-N 1 0 399.487 2.874 40 0 GFABRO Cn1nnc(-c2ccc(C(=O)N[C@H](C[NH+]3CCCCC3)c3ccccc3)cc2)n1 ZINC000036752522 570569688 /nfs/dbraw/zinc/56/96/88/570569688.db2.gz UUHYDNFVJOLXKK-HXUWFJFHSA-N 1 0 390.491 2.834 40 0 GFABRO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc4nccnc4c2)CC3)C1 ZINC000012145354 570616252 /nfs/dbraw/zinc/61/62/52/570616252.db2.gz ZCJFXEZUKGVVIS-OAHLLOKOSA-N 1 0 390.491 2.508 40 0 GFABRO Cc1ccc(=O)n(CC2(O)C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cc(F)ccc2F)n1 ZINC000012160913 570619056 /nfs/dbraw/zinc/61/90/56/570619056.db2.gz OFWNTOTYPDBNLO-HTZLVSCSSA-N 1 0 389.446 2.778 40 0 GFABRO C[C@@H](O)C[NH2+]Cc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186511 570620894 /nfs/dbraw/zinc/62/08/94/570620894.db2.gz SKEDBJSPZRKUAM-CQSZACIVSA-N 1 0 392.434 2.990 40 0 GFABRO O=C1CCCN1c1ccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1 ZINC000012292126 570633260 /nfs/dbraw/zinc/63/32/60/570633260.db2.gz OYNXXAGSKLHTAO-OAQYLSRUSA-N 1 0 398.478 2.970 40 0 GFABRO O=C1CCCN1c1ccc([C@H](O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012327634 570643731 /nfs/dbraw/zinc/64/37/31/570643731.db2.gz JWFBNGAGEKTXOP-OAQYLSRUSA-N 1 0 398.478 2.970 40 0 GFABRO COc1ccc(C(=O)NC2CC[NH+](CC(=O)N3[C@H](C)CCC[C@H]3C)CC2)cc1 ZINC000004909493 570648407 /nfs/dbraw/zinc/64/84/07/570648407.db2.gz WNLKBBDUDXBGOM-IAGOWNOFSA-N 1 0 387.524 2.679 40 0 GFABRO O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000260913063 570713685 /nfs/dbraw/zinc/71/36/85/570713685.db2.gz ZVLSTRCBPUVZAW-HKUYNNGSSA-N 1 0 384.451 2.994 40 0 GFABRO CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000014607415 570893163 /nfs/dbraw/zinc/89/31/63/570893163.db2.gz SGYNYWXMKKYZDQ-SMDDNHRTSA-N 1 0 399.274 2.900 40 0 GFABRO C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(O)cc1 ZINC000008373813 570924662 /nfs/dbraw/zinc/92/46/62/570924662.db2.gz WHUXLOHNPIBBOP-IBGZPJMESA-N 1 0 378.428 2.996 40 0 GFABRO O=C(Nc1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+]3C[C@@H]3CCCO3)C2)cc1)C1CC1 ZINC000585102254 570930087 /nfs/dbraw/zinc/93/00/87/570930087.db2.gz VNFNPYTTZNSPTE-NZQKXSOJSA-N 1 0 397.519 2.895 40 0 GFABRO O=C1N(CC2CC2)CCO[C@@]12C[N@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306145110 209108965 /nfs/dbraw/zinc/10/89/65/209108965.db2.gz ZYKYTVFMTKOQFP-PZJWPPBQSA-N 1 0 383.517 2.750 40 0 GFABRO O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000306143044 209108296 /nfs/dbraw/zinc/10/82/96/209108296.db2.gz XRQDSHJYXQDXNT-JOCHJYFZSA-N 1 0 376.435 2.992 40 0 GFABRO C[NH+](C)CCNc1nc(NCc2ccccc2Cl)cc(-c2cccnc2)n1 ZINC000329072494 206244632 /nfs/dbraw/zinc/24/46/32/206244632.db2.gz ZYQZKMPCYPCHHI-UHFFFAOYSA-N 1 0 382.899 2.621 40 0 GFABRO CSc1cccc(Nc2cc(-c3ccccn3)nc(NCC[NH+](C)C)n2)c1 ZINC000329032882 206241951 /nfs/dbraw/zinc/24/19/51/206241951.db2.gz QQYGJBNYQKYMJG-UHFFFAOYSA-N 1 0 380.521 2.821 40 0 GFABRO CN1CN(c2ccccc2)C2(CC[NH+](CCC3Oc4ccccc4O3)CC2)C1=O ZINC000001668980 206388122 /nfs/dbraw/zinc/38/81/22/206388122.db2.gz HZFXAHWXSCQDKG-UHFFFAOYSA-N 1 0 393.487 2.945 40 0 GFABRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)c(Br)cc1OCC(N)=O ZINC000036612922 207047970 /nfs/dbraw/zinc/04/79/70/207047970.db2.gz NPUKXFKRXBBWAV-FZMZJTMJSA-N 1 0 385.302 2.990 40 0 GFABRO CC(C)[NH2+]Cc1cc(Br)c(OCC(N)=O)c(Br)c1 ZINC000036612930 207048011 /nfs/dbraw/zinc/04/80/11/207048011.db2.gz KXVWMCGIYGTVFO-UHFFFAOYSA-N 1 0 380.080 2.574 40 0 GFABRO [NH2+]=C1NC2=C(CN(c3ccc(Br)cc3)C2=O)[C@H](c2ccccc2)N1 ZINC000016954573 207080697 /nfs/dbraw/zinc/08/06/97/207080697.db2.gz GDEXKWLYGFZBDC-HNNXBMFYSA-N 1 0 383.249 2.709 40 0 GFABRO C[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C)N1CCCC1=O ZINC000019079556 207100451 /nfs/dbraw/zinc/10/04/51/207100451.db2.gz ZILLYOVZSCCCKW-KMQSCTNJSA-N 1 0 383.536 2.866 40 0 GFABRO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019078776 207101383 /nfs/dbraw/zinc/10/13/83/207101383.db2.gz YJCLPKUGIOVFLJ-IFXJQAMLSA-N 1 0 384.455 2.735 40 0 GFABRO O=C(c1cc(-c2ccc(F)cc2)no1)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019336678 207116417 /nfs/dbraw/zinc/11/64/17/207116417.db2.gz QIDBSOATDLKXAA-KRWDZBQOSA-N 1 0 393.422 2.894 40 0 GFABRO C[C@](O)(c1ccccc1)[C@H]([C@@H](c1ccccc1)N1CCOCC1)[NH+]1CCOCC1 ZINC000019367098 207118008 /nfs/dbraw/zinc/11/80/08/207118008.db2.gz MFDVLMOVSSULIJ-SGNDLWITSA-N 1 0 396.531 2.668 40 0 GFABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)C3CC3)[nH]c(=O)c2C1 ZINC000019238656 207110902 /nfs/dbraw/zinc/11/09/02/207110902.db2.gz OYEFYPUJKICBII-KRWDZBQOSA-N 1 0 398.532 2.772 40 0 GFABRO C[C@@H](Cc1cc(=O)[nH]c(NC2CC[NH+](Cc3ccccc3)CC2)n1)n1cccn1 ZINC000019456747 207123852 /nfs/dbraw/zinc/12/38/52/207123852.db2.gz QXRVSMHSMKQKBB-KRWDZBQOSA-N 1 0 392.507 2.847 40 0 GFABRO C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H](C)Cn1cccn1)Cc1ccccc1O2 ZINC000019457650 207124009 /nfs/dbraw/zinc/12/40/09/207124009.db2.gz MOTGVCQABRXYTF-QXAHSBQVSA-N 1 0 382.508 2.841 40 0 GFABRO CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019499438 207125999 /nfs/dbraw/zinc/12/59/99/207125999.db2.gz UCKNEPMFCDSGBT-ZWKOTPCHSA-N 1 0 384.455 2.783 40 0 GFABRO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)no1 ZINC000019405414 207121413 /nfs/dbraw/zinc/12/14/13/207121413.db2.gz ZACNMDDMDJYBHA-GOSISDBHSA-N 1 0 377.448 2.774 40 0 GFABRO COc1ccc2c(c1)c(CN1CCCC[C@@H]1C[NH+]1CCCCC1)cn2CC(N)=O ZINC000019563244 207133835 /nfs/dbraw/zinc/13/38/35/207133835.db2.gz MRTXRBLBJOWZIM-LJQANCHMSA-N 1 0 398.551 2.976 40 0 GFABRO C[NH+](C)CCn1nc([C@@H]2CCN(C(=O)Cc3ccccc3F)C2)c2cccnc21 ZINC000019583232 207139635 /nfs/dbraw/zinc/13/96/35/207139635.db2.gz QGNCICLZFSAQHN-QGZVFWFLSA-N 1 0 395.482 2.691 40 0 GFABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)cc1 ZINC000019555152 207133231 /nfs/dbraw/zinc/13/32/31/207133231.db2.gz VCSWDTDOUOQIFC-QGZVFWFLSA-N 1 0 399.491 2.660 40 0 GFABRO CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)n1 ZINC000019694211 207149411 /nfs/dbraw/zinc/14/94/11/207149411.db2.gz YUFRBTCEHGFJFZ-OAHLLOKOSA-N 1 0 385.487 2.616 40 0 GFABRO CC[C@@H](C(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1)[NH+]1CCCC1 ZINC000019708376 207150395 /nfs/dbraw/zinc/15/03/95/207150395.db2.gz FTFQMZGSYXSPSS-NRFANRHFSA-N 1 0 398.551 2.802 40 0 GFABRO COc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1F ZINC000019590414 207140884 /nfs/dbraw/zinc/14/08/84/207140884.db2.gz VVSMSEBAEVZHPD-MRXNPFEDSA-N 1 0 398.482 2.561 40 0 GFABRO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](CC2CCCCC2)C3)c(OC)n1 ZINC000019594728 207144135 /nfs/dbraw/zinc/14/41/35/207144135.db2.gz HDAAURRKEDMYSC-QRTHJKPMSA-N 1 0 375.513 2.994 40 0 GFABRO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@H+](CCc1ccccc1)C2 ZINC000019708594 207150458 /nfs/dbraw/zinc/15/04/58/207150458.db2.gz XVFNKTNKEAHCPE-FQEVSTJZSA-N 1 0 379.508 2.803 40 0 GFABRO CNc1nc(C2CC[NH+](CCc3ccccc3)CC2)nc2c1CN(C(C)=O)CC2 ZINC000019711057 207151712 /nfs/dbraw/zinc/15/17/12/207151712.db2.gz JUHQFXYURAJVJY-UHFFFAOYSA-N 1 0 393.535 2.845 40 0 GFABRO CNc1nc([C@H]2CCC[N@H+](CCc3ccccc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711511 207151774 /nfs/dbraw/zinc/15/17/74/207151774.db2.gz DFVASYJEQXXESM-IBGZPJMESA-N 1 0 393.535 2.845 40 0 GFABRO O=C(Cc1ccccc1)N1CCC(CC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000019748176 207158428 /nfs/dbraw/zinc/15/84/28/207158428.db2.gz GXJFTBFIOUPJMF-UHFFFAOYSA-N 1 0 397.563 2.945 40 0 GFABRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(N2CCCC2=O)c1 ZINC000029840193 207367261 /nfs/dbraw/zinc/36/72/61/207367261.db2.gz GCNGYISAZCXADZ-UHFFFAOYSA-N 1 0 377.488 2.992 40 0 GFABRO CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3cccs3)CC2)O1 ZINC000096036860 208255572 /nfs/dbraw/zinc/25/55/72/208255572.db2.gz NUORIVCPNGOENW-QGZVFWFLSA-N 1 0 388.537 2.703 40 0 GFABRO O=S1(=O)NCC2(CC[NH+](Cc3ccsc3)CC2)COc2ccccc21 ZINC000096037113 208256456 /nfs/dbraw/zinc/25/64/56/208256456.db2.gz ZRKQTLDRCNIXCB-UHFFFAOYSA-N 1 0 378.519 2.701 40 0 GFABRO Cn1cc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3ccc(F)cc3)CC2)cn1 ZINC000096036953 208256679 /nfs/dbraw/zinc/25/66/79/208256679.db2.gz UYLVIBOHBZMSEA-UHFFFAOYSA-N 1 0 394.498 2.859 40 0 GFABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NC(C)C)Cn2ccnc23)s1 ZINC000096243642 208293831 /nfs/dbraw/zinc/29/38/31/208293831.db2.gz BULGYXQTOJXBRX-KRWDZBQOSA-N 1 0 388.537 2.668 40 0 GFABRO CC(=O)NCC(=O)N1Cc2ccccc2C2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096242456 208294093 /nfs/dbraw/zinc/29/40/93/208294093.db2.gz FSFCCMVGIDQMLV-UHFFFAOYSA-N 1 0 383.536 2.689 40 0 GFABRO O=C(NC1CCC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306140321 209105481 /nfs/dbraw/zinc/10/54/81/209105481.db2.gz UPRKFLVGQDOYPL-HUUCEWRRSA-N 1 0 385.899 2.518 40 0 GFABRO O=C(NCC1CC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccs2)CC1 ZINC000306130679 209100275 /nfs/dbraw/zinc/10/02/75/209100275.db2.gz JMUIZXGACZHUMB-UHFFFAOYSA-N 1 0 385.537 2.708 40 0 GFABRO CC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224609133 208930493 /nfs/dbraw/zinc/93/04/93/208930493.db2.gz BVIVYGPFHZOKQV-UHFFFAOYSA-N 1 0 387.505 2.719 40 0 GFABRO COC(=O)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)COC1 ZINC000096112744 209008610 /nfs/dbraw/zinc/00/86/10/209008610.db2.gz VYJMOPCOXKJERP-AWEZNQCLSA-N 1 0 387.386 2.962 40 0 biogenic,in-vitro GFABRO CCN1C(=O)CC[C@@H](C(=O)NCCC[NH+]2CCCC2)[C@@H]1c1cccc(OC)c1 ZINC000257206847 209055412 /nfs/dbraw/zinc/05/54/12/209055412.db2.gz BFCNCWARPWVYAP-CTNGQTDRSA-N 1 0 387.524 2.597 40 0 GFABRO CC[C@@H]([NH3+])C(=O)N1CC[C@H]2O[C@H]3c4ccc(OC)cc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257206127 209055451 /nfs/dbraw/zinc/05/54/51/209055451.db2.gz BBYYSLGYQMQCHN-YDQVPQBGSA-N 1 0 388.508 2.898 40 0 GFABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@]3(Cc4c(nc(N)nc4N)O3)CC2)cc1 ZINC000257246487 209059229 /nfs/dbraw/zinc/05/92/29/209059229.db2.gz IUHNSSAYCMUEEV-NRFANRHFSA-N 1 0 383.496 2.788 40 0 GFABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(=O)[nH]c(-c3ccccc3)n1)C2 ZINC000257262586 209061311 /nfs/dbraw/zinc/06/13/11/209061311.db2.gz LLZYDZZOTNLAOO-FCQWJQKHSA-N 1 0 378.476 2.937 40 0 GFABRO Cc1cc(-c2nccn2C)nc([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)n1 ZINC000257255710 209062113 /nfs/dbraw/zinc/06/21/13/209062113.db2.gz KINUCQHRFKPLCG-SFHVURJKSA-N 1 0 396.539 2.768 40 0 GFABRO Cc1ccc(C[NH+]2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)o1 ZINC000096038295 136183423 /nfs/dbraw/zinc/18/34/23/136183423.db2.gz ZBSQMGKWRZZNGT-UHFFFAOYSA-N 1 0 381.480 2.847 40 0 GFABRO CC[C@@H](C)n1ncn(-c2cc(-c3ccc(O)cc3)ccc2N2CC[NH2+]CC2)c1=O ZINC000098177456 136188996 /nfs/dbraw/zinc/18/89/96/136188996.db2.gz QMHXFKJFFPQUQV-MRXNPFEDSA-N 1 0 393.491 2.787 40 0 GFABRO COc1ccc(C[NH+]2CCC(CNc3c4c(nc5ncnn53)CCC4)CC2)cc1 ZINC000072346358 222233769 /nfs/dbraw/zinc/23/37/69/222233769.db2.gz NGOXXSOYOGOCKC-UHFFFAOYSA-N 1 0 392.507 2.946 40 0 GFABRO C[N@@H+]1CC[C@H](c2nn(CCNC(=O)CCC3CCCCC3)c3nccnc23)C1 ZINC000072391676 222248715 /nfs/dbraw/zinc/24/87/15/222248715.db2.gz PXEMKAYINYRYOD-KRWDZBQOSA-N 1 0 384.528 2.722 40 0 GFABRO O=C(NCCSc1nc[nH]n1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000225904083 553060749 /nfs/dbraw/zinc/06/07/49/553060749.db2.gz SVRJTQGUSPPBCE-CQSZACIVSA-N 1 0 379.917 2.579 40 0 GFABRO COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H]([NH2+]CC4CCCCC4)CO[C@H]23)cc1 ZINC000006137703 560205370 /nfs/dbraw/zinc/20/53/70/560205370.db2.gz AIBKEIMECBLSCC-MTQWCTHYSA-N 1 0 390.480 2.948 40 0 biogenic,in-vitro GFABRO C[NH+](C)CCOc1ccc(C(=O)N2CC[C@](C)(O)[C@@H](Oc3ccccc3)C2)cc1 ZINC000585262248 570229970 /nfs/dbraw/zinc/22/99/70/570229970.db2.gz WNTOIKNHDKQZSS-GMAHTHKFSA-N 1 0 398.503 2.672 40 0 GFABRO CC(=O)N[C@@H]1C[C@@H](Oc2cccc(Cl)c2)[C@H](O)[C@H]1[N@H+](C)Cc1ccccc1 ZINC000585262444 570230419 /nfs/dbraw/zinc/23/04/19/570230419.db2.gz OBTOQFDHQSTWQK-CGXNFDGLSA-N 1 0 388.895 2.857 40 0 GFABRO Cc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H]([NH3+])C(C)C)CC3)n2)s1 ZINC000585263598 570231815 /nfs/dbraw/zinc/23/18/15/570231815.db2.gz RMRGJDZGBGYAEQ-INIZCTEOSA-N 1 0 388.541 2.983 40 0 GFABRO Cc1c(F)cccc1C[NH+]1CCC2(CC1)C[C@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108534765 570313078 /nfs/dbraw/zinc/31/30/78/570313078.db2.gz YHZGXJYLPOLFTK-QGZVFWFLSA-N 1 0 396.528 2.730 40 0 GFABRO CC(C)(C)n1nnnc1[C@H](c1cccnc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000022584594 570348401 /nfs/dbraw/zinc/34/84/01/570348401.db2.gz DYPHMVSEMUELLT-IBGZPJMESA-N 1 0 383.544 2.863 40 0 GFABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382152 570353248 /nfs/dbraw/zinc/35/32/48/570353248.db2.gz HVCGTDMXMKDEAB-UAFMIMERSA-N 1 0 387.911 2.698 40 0 biogenic,in-vitro GFABRO Cc1nc2nc3ccn(CC[NH+](C)C)c(=O)c3c(-c3cccc(Cl)c3)n2n1 ZINC000040398348 570602032 /nfs/dbraw/zinc/60/20/32/570602032.db2.gz SIZBCHOIPXLDSN-UHFFFAOYSA-N 1 0 382.855 2.630 40 0 GFABRO Cc1nc2nc3ccn(CCC[NH+](C)C)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398556 570602441 /nfs/dbraw/zinc/60/24/41/570602441.db2.gz JUPMOQIFMRLJHE-UHFFFAOYSA-N 1 0 380.427 2.505 40 0 GFABRO CC(C)n1c2ccc(S(=O)(=O)NCCC[NH+]3CCCCC3)cc2sc1=O ZINC000225710044 570607067 /nfs/dbraw/zinc/60/70/67/570607067.db2.gz DLEGMEIJPLYYAU-UHFFFAOYSA-N 1 0 397.566 2.798 40 0 GFABRO C[NH+](C)[C@H](CNC(=O)[C@]1(C)CC(c2ccccc2)=NO1)c1ccc2c(c1)OCO2 ZINC000012203675 570625439 /nfs/dbraw/zinc/62/54/39/570625439.db2.gz VJCPAESDNBZILW-GCJKJVERSA-N 1 0 395.459 2.718 40 0 GFABRO COC(=O)C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC000044914562 570642969 /nfs/dbraw/zinc/64/29/69/570642969.db2.gz QYNRKTDUNSZQSK-QGZVFWFLSA-N 1 0 378.900 2.964 40 0 GFABRO CCC[N@@H+]1C[C@H](NC(=O)c2c(Cl)cnn2C)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364787 570646676 /nfs/dbraw/zinc/64/66/76/570646676.db2.gz ISUUVUAIMXSPEL-WBVHZDCISA-N 1 0 376.888 2.690 40 0 GFABRO C[NH+](C)CC(=O)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000257227627 570763975 /nfs/dbraw/zinc/76/39/75/570763975.db2.gz FQEPTQJXFDXBDJ-LPHOPBHVSA-N 1 0 397.441 2.749 40 0 GFABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)cc(Cl)c1OCC(N)=O ZINC000008253770 570765973 /nfs/dbraw/zinc/76/59/73/570765973.db2.gz XISPRAXIMCSHLR-UHFFFAOYSA-N 1 0 392.883 2.944 40 0 GFABRO Nc1nc2c(c(N)n1)C[C@@]1(CC[N@H+](CC(c3ccccc3)c3ccccc3)C1)O2 ZINC000257237290 570766972 /nfs/dbraw/zinc/76/69/72/570766972.db2.gz HFWDAXNWJIEMPK-HSZRJFAPSA-N 1 0 387.487 2.853 40 0 GFABRO COc1ccc(OC)c(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)c1 ZINC000072339809 570879998 /nfs/dbraw/zinc/87/99/98/570879998.db2.gz TUAVTMVJIYIHAO-UHFFFAOYSA-N 1 0 378.432 2.820 40 0 GFABRO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@@H](O)C3)C2)CC1 ZINC000585104138 570930037 /nfs/dbraw/zinc/93/00/37/570930037.db2.gz LUMSSBWHAVZRPK-WOJBJXKFSA-N 1 0 386.536 2.717 40 0 GFABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@@H](O)C4)C3)CC2)cc1F ZINC000585103027 570931690 /nfs/dbraw/zinc/93/16/90/570931690.db2.gz BHGBGFTZRMXRGX-RTBURBONSA-N 1 0 390.499 2.602 40 0 GFABRO Cc1cc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]23)oc1C ZINC000585106038 570935849 /nfs/dbraw/zinc/93/58/49/570935849.db2.gz GULBRPLDOVGKTG-MSOLQXFVSA-N 1 0 387.524 2.595 40 0 GFABRO CCCN1CCN(C(=O)C[NH3+])C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183614 571000688 /nfs/dbraw/zinc/00/06/88/571000688.db2.gz NOGDNNDHEHPHPF-LJQANCHMSA-N 1 0 397.494 2.691 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2F)cc(-c2ccncc2)n1 ZINC000328963832 571047668 /nfs/dbraw/zinc/04/76/68/571047668.db2.gz BRUYDBYYIYAMJB-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO CCc1cccc(C)c1Nc1cc(-c2ccncc2)nc(NCC[NH+](C)C)n1 ZINC000329027128 206240714 /nfs/dbraw/zinc/24/07/14/206240714.db2.gz PRCBNOVVIHUPNZ-UHFFFAOYSA-N 1 0 376.508 2.970 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2ccc(F)cc2Cl)cc(C(F)(F)F)n1 ZINC000329050872 206242449 /nfs/dbraw/zinc/24/24/49/206242449.db2.gz UVNGJYMQESTNGK-UHFFFAOYSA-N 1 0 377.773 2.849 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2ccccc2OC(F)(F)F)cc(C2CC2)n1 ZINC000329058276 206242538 /nfs/dbraw/zinc/24/25/38/206242538.db2.gz WBMWXMDQFYSKQX-UHFFFAOYSA-N 1 0 381.402 2.814 40 0 GFABRO O=C1N(Cc2ccsc2)CCO[C@]12C[N@H+](CC1CC1)C[C@@H]2c1cccnc1 ZINC000306140243 209106746 /nfs/dbraw/zinc/10/67/46/209106746.db2.gz UNVDHILINJPFTH-CTNGQTDRSA-N 1 0 383.517 2.750 40 0 GFABRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)c(Br)cc1OCC(N)=O ZINC000036612924 207048141 /nfs/dbraw/zinc/04/81/41/207048141.db2.gz NPUKXFKRXBBWAV-SMDDNHRTSA-N 1 0 385.302 2.990 40 0 GFABRO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616818 207050172 /nfs/dbraw/zinc/05/01/72/207050172.db2.gz OJTCFNLXGGSEHB-HNNXBMFYSA-N 1 0 379.439 2.788 40 0 GFABRO COc1ccc(C[N@@H+]2CCc3nc(-c4cnc(C)cn4)[nH]c(=O)c3C2)c(C)c1C ZINC000019239073 207111760 /nfs/dbraw/zinc/11/17/60/207111760.db2.gz WFLOYDJYDISKBE-UHFFFAOYSA-N 1 0 391.475 2.719 40 0 GFABRO Cc1nc(C)n(CC(=O)N2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)n1 ZINC000019285771 207112584 /nfs/dbraw/zinc/11/25/84/207112584.db2.gz ZBKYRDVGUSQFIV-UHFFFAOYSA-N 1 0 397.523 2.559 40 0 GFABRO O=c1ccc(-c2cccs2)nn1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000019371807 207120061 /nfs/dbraw/zinc/12/00/61/207120061.db2.gz IZJYKLHSLMINMS-UHFFFAOYSA-N 1 0 381.501 2.999 40 0 GFABRO C[C@@H]1Cc2cc(CCC(=O)N3CCc4nc([C@@H]5CCC[NH2+]5)ncc4C3)ccc2O1 ZINC000019498127 207125453 /nfs/dbraw/zinc/12/54/53/207125453.db2.gz IILXNRFTHARSIB-QRWLVFNGSA-N 1 0 392.503 2.742 40 0 GFABRO CCc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)no1 ZINC000019522657 207127316 /nfs/dbraw/zinc/12/73/16/207127316.db2.gz JZBCUYROFIYWNR-GOSISDBHSA-N 1 0 399.495 2.867 40 0 GFABRO COc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CC[NH+](C)CC2)cc1C ZINC000019571401 207137255 /nfs/dbraw/zinc/13/72/55/207137255.db2.gz VSQUHPKTCMZBRR-UHFFFAOYSA-N 1 0 389.521 2.684 40 0 GFABRO Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c(C)c1C ZINC000019556168 207132762 /nfs/dbraw/zinc/13/27/62/207132762.db2.gz RKZNSZRKKUNESD-KBXCAEBGSA-N 1 0 396.539 2.601 40 0 GFABRO COc1ccc(OC)c(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 ZINC000019551444 207132821 /nfs/dbraw/zinc/13/28/21/207132821.db2.gz MESQWJMDPUOWOV-INIZCTEOSA-N 1 0 392.459 2.839 40 0 GFABRO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4ccncc4)n3)C2)c(OC)c1 ZINC000019552351 207133178 /nfs/dbraw/zinc/13/31/78/207133178.db2.gz VYGBZDQBRCOQDH-MRXNPFEDSA-N 1 0 394.479 2.665 40 0 GFABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CCCN1CCCC1=O ZINC000019589212 207140803 /nfs/dbraw/zinc/14/08/03/207140803.db2.gz GNTIVKJSXMGBLO-WOIUINJBSA-N 1 0 387.499 2.617 40 0 GFABRO C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)CCn3ncc4ccccc43)ncc2C1 ZINC000019590511 207141667 /nfs/dbraw/zinc/14/16/67/207141667.db2.gz BMMVTEYVDHJAMA-HXUWFJFHSA-N 1 0 390.491 2.568 40 0 GFABRO CN(C)C(=O)c1ccc(C2CC[NH+](Cc3ccnc(N4CCCC4)n3)CC2)nc1 ZINC000019705862 207151196 /nfs/dbraw/zinc/15/11/96/207151196.db2.gz OXELNGDEMQKOQX-UHFFFAOYSA-N 1 0 394.523 2.553 40 0 GFABRO O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019710622 207151489 /nfs/dbraw/zinc/15/14/89/207151489.db2.gz TXGIHMWLTJQOHX-MRXNPFEDSA-N 1 0 384.871 2.536 40 0 GFABRO COc1ccccc1-c1ccccc1C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000019714571 207152589 /nfs/dbraw/zinc/15/25/89/207152589.db2.gz IFYBAOMKDOZXRO-UHFFFAOYSA-N 1 0 379.460 2.878 40 0 GFABRO C[NH+](C)C[C@H]1CCCN(C(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000019748231 207157042 /nfs/dbraw/zinc/15/70/42/207157042.db2.gz HIBIINCWHHBWIG-OAQYLSRUSA-N 1 0 385.552 2.658 40 0 GFABRO c1nc2nc(COc3ccccc3-c3ccccc3)cc(N3CC[NH2+]CC3)n2n1 ZINC000019927112 207170597 /nfs/dbraw/zinc/17/05/97/207170597.db2.gz GRGOWNGCJVOTMG-UHFFFAOYSA-N 1 0 386.459 2.780 40 0 GFABRO C[NH+](C)CCNC(=O)[C@@H]1Cc2nc(-c3ccsc3)sc2N1CC1CC1 ZINC000096146741 208275027 /nfs/dbraw/zinc/27/50/27/208275027.db2.gz VXWSGPRJGDNTNH-HNNXBMFYSA-N 1 0 376.551 2.691 40 0 GFABRO Cn1cc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3ccsc3)CC2)cn1 ZINC000096036948 208255466 /nfs/dbraw/zinc/25/54/66/208255466.db2.gz IOIXXRCBUDTAOO-UHFFFAOYSA-N 1 0 382.537 2.782 40 0 GFABRO CSc1ncc(C(=O)N2CCO[C@]3(CCCC[C@@H]3[NH+]3CCCC3)C2)c(C)n1 ZINC000306138434 209104260 /nfs/dbraw/zinc/10/42/60/209104260.db2.gz RXMSSJYEBIQPNZ-FXAWDEMLSA-N 1 0 390.553 2.757 40 0 GFABRO Cc1ncsc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306132737 209101945 /nfs/dbraw/zinc/10/19/45/209101945.db2.gz LQORPFSXRMOYIO-LSDHHAIUSA-N 1 0 394.504 2.600 40 0 GFABRO CC(C)n1cnc([C@@H]2CN(C(=O)N3CCCC3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306122956 209094308 /nfs/dbraw/zinc/09/43/08/209094308.db2.gz AAMLPBLTZGLBNU-PGRDOPGGSA-N 1 0 399.539 2.708 40 0 GFABRO COc1cccc(OC)c1OCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)C2 ZINC000257217001 209058236 /nfs/dbraw/zinc/05/82/36/209058236.db2.gz CXBKMDLFZKBCNW-TUXJCPBXSA-N 1 0 388.508 2.946 40 0 GFABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCN(S(=O)(=O)N(C)C)C3)c2)c1 ZINC000257243895 209059077 /nfs/dbraw/zinc/05/90/77/209059077.db2.gz IJAQERWYXCUKJQ-HNNXBMFYSA-N 1 0 390.509 2.738 40 0 GFABRO CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CC[NH3+])nc(C2CC2)n1 ZINC000257287882 209069481 /nfs/dbraw/zinc/06/94/81/209069481.db2.gz PRWJBFJVFZUKTG-KRWDZBQOSA-N 1 0 378.480 2.626 40 0 GFABRO Cc1cc(C)nc(N2CCC[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)n1 ZINC000170613640 136198999 /nfs/dbraw/zinc/19/89/99/136198999.db2.gz ZALXBUPLKWCELC-ZCNNSNEGSA-N 1 0 385.556 2.691 40 0 GFABRO O=C(CC1(O)CCCCC1)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257315359 209075317 /nfs/dbraw/zinc/07/53/17/209075317.db2.gz VAZFOUFSEGHKAS-LJQANCHMSA-N 1 0 388.499 2.546 40 0 GFABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000072345981 222233394 /nfs/dbraw/zinc/23/33/94/222233394.db2.gz UMZOYTIWHZKSBE-QGZVFWFLSA-N 1 0 388.475 2.599 40 0 GFABRO COc1ccc2cc(CNc3ccc(N4CC[NH+](C)CC4)cc3)c(=O)[nH]c2c1 ZINC000013562993 537034937 /nfs/dbraw/zinc/03/49/37/537034937.db2.gz FWRFXGJKHKHHCR-UHFFFAOYSA-N 1 0 378.476 2.901 40 0 GFABRO CC1(C)CC(NC(=O)C(=O)Nc2cccc(Br)c2)CC(C)(C)[NH2+]1 ZINC000042645672 551139749 /nfs/dbraw/zinc/13/97/49/551139749.db2.gz FCBUICRGQMIPEF-UHFFFAOYSA-N 1 0 382.302 2.813 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2c(F)cc(F)cc2F)cc(C(F)(F)F)n1 ZINC000329053201 570215255 /nfs/dbraw/zinc/21/52/55/570215255.db2.gz VEOAULCYSCLRQJ-UHFFFAOYSA-N 1 0 393.335 2.864 40 0 GFABRO C[N@H+](Cc1ccc(OCCF)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585269599 570237465 /nfs/dbraw/zinc/23/74/65/570237465.db2.gz ALXIQMVVPBITKH-FQEVSTJZSA-N 1 0 377.435 2.642 40 0 GFABRO CCOCCOc1ccc(CN2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000585270291 570239397 /nfs/dbraw/zinc/23/93/97/570239397.db2.gz SWNOMQMBBSDXHO-FQEVSTJZSA-N 1 0 398.494 2.770 40 0 GFABRO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@@H+]2CC1(O)CCN(c2ccccc2C)CC1 ZINC000585285359 570254746 /nfs/dbraw/zinc/25/47/46/570254746.db2.gz XXOICYRUJMCHQT-SFTDATJTSA-N 1 0 385.552 2.802 40 0 GFABRO CN(CC[NH+](C)C)C(=O)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000211527544 570275931 /nfs/dbraw/zinc/27/59/31/570275931.db2.gz AKDHAZXCYHDABN-RCCKNPSSSA-N 1 0 390.487 2.959 40 0 GFABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccccc2Cl)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382101 570352999 /nfs/dbraw/zinc/35/29/99/570352999.db2.gz DLDNZRQBZHTLKQ-HNBVOPMISA-N 1 0 387.911 2.698 40 0 biogenic,in-vitro GFABRO CC(C)(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3cccc(F)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382092 570353089 /nfs/dbraw/zinc/35/30/89/570353089.db2.gz DCRZKRQXMFESSO-UAFMIMERSA-N 1 0 387.499 2.603 40 0 biogenic,in-vitro GFABRO COc1ccc2c3c1O[C@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)=O)C2 ZINC000005712635 570452543 /nfs/dbraw/zinc/45/25/43/570452543.db2.gz DGSADVAMZWFCMP-KOCOEAGCSA-N 1 0 381.472 2.505 40 0 GFABRO Cc1ccc(C(=O)NCCC[NH+](C)C)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224296725 570507767 /nfs/dbraw/zinc/50/77/67/570507767.db2.gz ZKNNNTWQVWVCDY-UHFFFAOYSA-N 1 0 389.521 2.502 40 0 GFABRO Cc1cc(C)n2ncc(C[N@@H+]3C[C@@H]4CC[C@](O)(c5ncccc5C)[C@H]4C3)c2n1 ZINC000072389826 570576466 /nfs/dbraw/zinc/57/64/66/570576466.db2.gz DWDVNOSIESYJLT-LQBOVUBWSA-N 1 0 377.492 2.779 40 0 GFABRO COc1cccc2c1cc(C(=O)NC[C@@H](c1ccc3c(c1)OCO3)[NH+](C)C)n2C ZINC000012148649 570617711 /nfs/dbraw/zinc/61/77/11/570617711.db2.gz AWDJSZZHVCCCGX-SFHVURJKSA-N 1 0 395.459 2.948 40 0 GFABRO COc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1OC ZINC000012327778 570643791 /nfs/dbraw/zinc/64/37/91/570643791.db2.gz SZFZTOQXZOGUSL-SFHVURJKSA-N 1 0 375.440 2.860 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)NCC[NH+]2CCCCC2)[C@@H]1c1ccccc1OC ZINC000257228264 570764449 /nfs/dbraw/zinc/76/44/49/570764449.db2.gz FTEZYUVDFUFHQM-NQIIRXRSSA-N 1 0 387.524 2.597 40 0 GFABRO Cc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1 ZINC000013668605 570769879 /nfs/dbraw/zinc/76/98/79/570769879.db2.gz VCSLMRYFOWNSFT-SFHVURJKSA-N 1 0 395.569 2.532 40 0 GFABRO C[NH+](C)CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000013669937 570770312 /nfs/dbraw/zinc/77/03/12/570770312.db2.gz KTFXJWVYMDIROI-NRFANRHFSA-N 1 0 383.517 2.752 40 0 GFABRO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585104137 570930173 /nfs/dbraw/zinc/93/01/73/570930173.db2.gz LUMSSBWHAVZRPK-VQTJNVASSA-N 1 0 386.536 2.717 40 0 GFABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[NH+]4CCCC4)C3)CC2)c1 ZINC000585105334 570932074 /nfs/dbraw/zinc/93/20/74/570932074.db2.gz UGUGBGORSYBAPM-FQEVSTJZSA-N 1 0 388.508 2.811 40 0 GFABRO CCN1CC[N@H+](CCC(N)=O)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585172744 570997621 /nfs/dbraw/zinc/99/76/21/570997621.db2.gz DGSUSZFUKKEHLZ-NRFANRHFSA-N 1 0 393.531 2.860 40 0 GFABRO CC(C)(C)c1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)NCc2ccc(F)cc2)nn1 ZINC000008298715 291119211 /nfs/dbraw/zinc/11/92/11/291119211.db2.gz NYGLZCNUURQCNN-UHOSZYNNSA-N 1 0 399.514 2.742 40 0 biogenic,in-vitro GFABRO Cn1cc(CN2CCC[C@@]3(C2)C[N@H+](C)Cc2c(-c4ccccc4)ncn23)cn1 ZINC000306143190 209108080 /nfs/dbraw/zinc/10/80/80/209108080.db2.gz XVNOKLACECYZDA-QFIPXVFZSA-N 1 0 376.508 2.720 40 0 GFABRO Cc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@@H](C)CO)[nH+]1 ZINC000329036922 206243140 /nfs/dbraw/zinc/24/31/40/206243140.db2.gz RLDSAXDSOABMOF-LBPRGKRZSA-N 1 0 377.286 2.903 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c(F)c2)cc(-c2cccnc2)n1 ZINC000328990895 206239349 /nfs/dbraw/zinc/23/93/49/206239349.db2.gz IPOUMVJUHUODBB-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO COc1ccc(C[NH2+]CCn2nc([C@H]3CCN(C(C)=O)C3)c3cccnc32)cc1 ZINC000019016576 207099806 /nfs/dbraw/zinc/09/98/06/207099806.db2.gz BGGXWPOLHRNFLL-SFHVURJKSA-N 1 0 393.491 2.566 40 0 GFABRO C[NH+](C)CC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1 ZINC000019084150 207103237 /nfs/dbraw/zinc/10/32/37/207103237.db2.gz QFYKFKULBWYUKQ-LSDHHAIUSA-N 1 0 397.514 2.971 40 0 GFABRO Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[NH2+]C4)C2)c(C)c1 ZINC000019132707 207104363 /nfs/dbraw/zinc/10/43/63/207104363.db2.gz AXCJTLDZKQPVEQ-QZTJIDSGSA-N 1 0 394.519 2.913 40 0 GFABRO Cc1ccc2occ(C[NH+]3CCC(c4cc(=O)[nH]c(N(C)C)n4)CC3)c(=O)c2c1 ZINC000019219827 207108383 /nfs/dbraw/zinc/10/83/83/207108383.db2.gz NQNKHQYRZSEWPW-UHFFFAOYSA-N 1 0 394.475 2.630 40 0 GFABRO Cn1nc(-c2cccnc2)cc1C[NH+]1CCC(NC(=O)C[C@@H]2C=CCC2)CC1 ZINC000019288970 207113068 /nfs/dbraw/zinc/11/30/68/207113068.db2.gz WPPKLTOZBZDYSD-QGZVFWFLSA-N 1 0 379.508 2.919 40 0 GFABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1c(C)[nH]c2ccc(Cl)cc21 ZINC000019365189 207118899 /nfs/dbraw/zinc/11/88/99/207118899.db2.gz KHSSVTFHEAVQGB-MRXNPFEDSA-N 1 0 376.932 2.814 40 0 GFABRO C[C@@H]1Cc2cc(C(=O)N3CCc4nc([C@H]5CCCC[NH2+]5)ncc4C3)ccc2O1 ZINC000019497965 207124776 /nfs/dbraw/zinc/12/47/76/207124776.db2.gz DTBKCMZUXJFLSG-AUUYWEPGSA-N 1 0 378.476 2.813 40 0 GFABRO CC1CC[NH+](CCNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)CC1 ZINC000019496909 207125270 /nfs/dbraw/zinc/12/52/70/207125270.db2.gz IIEAXCZYWNEXKA-UHFFFAOYSA-N 1 0 382.508 2.986 40 0 GFABRO CCc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)no1 ZINC000019522658 207128962 /nfs/dbraw/zinc/12/89/62/207128962.db2.gz JZBCUYROFIYWNR-SFHVURJKSA-N 1 0 399.495 2.867 40 0 GFABRO COc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1C ZINC000019571113 207136787 /nfs/dbraw/zinc/13/67/87/207136787.db2.gz HFJIZPQZQXXZQO-SFHVURJKSA-N 1 0 394.519 2.730 40 0 GFABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 ZINC000019575355 207138041 /nfs/dbraw/zinc/13/80/41/207138041.db2.gz XHCALFYQEZPZDG-YZGWKJHDSA-N 1 0 376.504 2.724 40 0 GFABRO COCc1ccc(C(=O)N2CCc3nc(C4CC[NH+](C)CC4)ncc3C2)cc1 ZINC000019588320 207139755 /nfs/dbraw/zinc/13/97/55/207139755.db2.gz PXYIPCUILRAJMJ-UHFFFAOYSA-N 1 0 380.492 2.631 40 0 GFABRO C[C@H](C[NH+]1CCCC1)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000019661372 207147421 /nfs/dbraw/zinc/14/74/21/207147421.db2.gz SKJHQJVJTLSLSD-CQSZACIVSA-N 1 0 384.446 2.917 40 0 GFABRO C[N@@H+]1CCc2nc(C3CCN(C(=O)CCc4ccccc4F)CC3)ncc2C1 ZINC000019590671 207140992 /nfs/dbraw/zinc/14/09/92/207140992.db2.gz OAQIBBNPHSACCQ-UHFFFAOYSA-N 1 0 382.483 2.942 40 0 GFABRO COc1ccc(CN2CCc3nc([C@@H]4CCC[N@H+](C)C4)ncc3C2)cc1OC ZINC000019588674 207142130 /nfs/dbraw/zinc/14/21/30/207142130.db2.gz WXQCPDGJSUVQJL-QGZVFWFLSA-N 1 0 382.508 2.861 40 0 GFABRO O=C(NC1CCOCC1)c1ccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019706077 207150299 /nfs/dbraw/zinc/15/02/99/207150299.db2.gz ZTUTYSXYEMHZPA-SFHVURJKSA-N 1 0 380.492 2.765 40 0 GFABRO Cc1cccc2[nH]c(C(=O)N3CCn4c(nnc4[C@H]4CCC[N@@H+](C)C4)C3)cc21 ZINC000019711001 207152487 /nfs/dbraw/zinc/15/24/87/207152487.db2.gz SFJAWUVUXAUEDZ-HNNXBMFYSA-N 1 0 378.480 2.533 40 0 GFABRO c1ccc(N2CCCCC2)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCNC4)C2)c1 ZINC000019711054 207152616 /nfs/dbraw/zinc/15/26/16/207152616.db2.gz HMGFCMBLJKWMEQ-LJQANCHMSA-N 1 0 380.540 2.751 40 0 GFABRO CNc1cc(CN(C)Cc2ccc(OC)c(OC)c2)nc(C2CC[NH2+]CC2)n1 ZINC000019710119 207152895 /nfs/dbraw/zinc/15/28/95/207152895.db2.gz LGQBOTHUXMGLIG-UHFFFAOYSA-N 1 0 385.512 2.635 40 0 GFABRO O=C(N1CCC[C@H]1c1nnc2n1CC[NH2+]CC2)C1(c2ccccc2F)CCCC1 ZINC000019710747 207152958 /nfs/dbraw/zinc/15/29/58/207152958.db2.gz AORYMSHTPGUESU-SFHVURJKSA-N 1 0 397.498 2.738 40 0 GFABRO Cc1nc(C2CC[NH+](CCc3ccccc3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019751981 207159561 /nfs/dbraw/zinc/15/95/61/207159561.db2.gz NTMKGVGWAGMURL-UHFFFAOYSA-N 1 0 394.519 2.680 40 0 GFABRO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000031075264 207379165 /nfs/dbraw/zinc/37/91/65/207379165.db2.gz FJFFCUQOEBWIDN-UHFFFAOYSA-N 1 0 387.505 2.719 40 0 GFABRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)C3CCC3)CC2)c2ccccc21 ZINC000096079504 208261343 /nfs/dbraw/zinc/26/13/43/208261343.db2.gz CHUZRFGBJGOXLI-IBGZPJMESA-N 1 0 397.563 2.902 40 0 GFABRO O=C(c1cccc(F)c1)N1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096078187 208262243 /nfs/dbraw/zinc/26/22/43/208262243.db2.gz QFTXTBPMCLQXPQ-UHFFFAOYSA-N 1 0 383.467 2.976 40 0 GFABRO COc1ccc2c3c1O[C@@]1(C)[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)=O)C2 ZINC000096316381 208306297 /nfs/dbraw/zinc/30/62/97/208306297.db2.gz FNIFBBNFYMIPEZ-HDESWQQZSA-N 1 0 395.499 2.895 40 0 biogenic,in-vitro GFABRO Cc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)s1 ZINC000096225905 208288340 /nfs/dbraw/zinc/28/83/40/208288340.db2.gz KVLIBFKJJRVMBR-HXUWFJFHSA-N 1 0 384.505 2.831 40 0 GFABRO C[N@@H+]1CCCN(C(=O)c2cc(-c3ccn(CC4CC4)n3)n3ccccc23)CC1 ZINC000096266693 208297592 /nfs/dbraw/zinc/29/75/92/208297592.db2.gz UMVIRZUNXLRJOX-UHFFFAOYSA-N 1 0 377.492 2.991 40 0 GFABRO Cc1ccsc1C[N@@H+]1C[C@@H]2CCn3c(C(=O)NCc4ccco4)nnc3[C@@H]2C1 ZINC000306128371 209100011 /nfs/dbraw/zinc/10/00/11/209100011.db2.gz GYQOAJMPIUDIPW-GOEBONIOSA-N 1 0 397.504 2.790 40 0 GFABRO COc1ncccc1CN1C[C@@H]2[C@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 ZINC000306123238 209095650 /nfs/dbraw/zinc/09/56/50/209095650.db2.gz AIEYGXZHNLKIGI-RTWAWAEBSA-N 1 0 388.471 2.973 40 0 GFABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000072345965 222233496 /nfs/dbraw/zinc/23/34/96/222233496.db2.gz REKAIGNFKCWGGJ-GOSISDBHSA-N 1 0 388.475 2.599 40 0 GFABRO [NH3+]C[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218529686 553053966 /nfs/dbraw/zinc/05/39/66/553053966.db2.gz NSDWPWFPWWQESM-IKGGRYGDSA-N 1 0 386.300 2.871 40 0 GFABRO COc1ccc2c3c1O[C@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)(C)O)C2 ZINC000034406448 560087151 /nfs/dbraw/zinc/08/71/51/560087151.db2.gz HXFDWGKUUFPMRG-MVMBAIFLSA-N 1 0 397.515 2.686 40 0 biogenic,in-vitro GFABRO COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1C(=O)c1ccco1 ZINC000015676472 560095693 /nfs/dbraw/zinc/09/56/93/560095693.db2.gz IAYFFPGXRYANDD-INIZCTEOSA-N 1 0 399.834 2.918 40 0 biogenic,in-vitro GFABRO [NH3+]CC(=O)N1CCC(c2cccc(Nc3ncc(Br)s3)n2)CC1 ZINC000585262854 565103987 /nfs/dbraw/zinc/10/39/87/565103987.db2.gz AQNTXQASAYOAPK-UHFFFAOYSA-N 1 0 396.314 2.709 40 0 GFABRO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCC1)c1ccc(F)cc1 ZINC000585262388 570230399 /nfs/dbraw/zinc/23/03/99/570230399.db2.gz KOWJYAAHSBVPCE-CGXNFDGLSA-N 1 0 384.451 2.601 40 0 GFABRO O=C(C[N@H+]1CCC[C@](O)(COc2ccccc2F)CC1)NCc1ccccc1 ZINC000585272853 570241004 /nfs/dbraw/zinc/24/10/04/570241004.db2.gz KBZKWIGRCATHHP-JOCHJYFZSA-N 1 0 386.467 2.738 40 0 GFABRO O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(C[NH+](C3CCCCC3)C2)C1 ZINC000604381101 570352208 /nfs/dbraw/zinc/35/22/08/570352208.db2.gz DHTOIMWOCJFJKA-HXUWFJFHSA-N 1 0 384.524 2.622 40 0 biogenic,in-vitro GFABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCCCC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382271 570353402 /nfs/dbraw/zinc/35/34/02/570353402.db2.gz MSLIBGXSMBCYQH-GXRSIYKFSA-N 1 0 381.520 2.966 40 0 biogenic,in-vitro GFABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCCC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382305 570353446 /nfs/dbraw/zinc/35/34/46/570353446.db2.gz NRZATCAWOURNJI-VURPSTOHSA-N 1 0 385.483 2.715 40 0 biogenic,in-vitro GFABRO COc1cccc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000006570725 570483484 /nfs/dbraw/zinc/48/34/84/570483484.db2.gz VSYYOVKJAOMMQT-UHFFFAOYSA-N 1 0 384.505 2.574 40 0 GFABRO COC(=O)c1cccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224636719 570521921 /nfs/dbraw/zinc/52/19/21/570521921.db2.gz YPPFZDCYYCWSGT-UHFFFAOYSA-N 1 0 388.489 2.548 40 0 GFABRO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](CC2=Cc4ccccc4OC2)CC3)C1 ZINC000012183129 570619708 /nfs/dbraw/zinc/61/97/08/570619708.db2.gz BWJHSXLTUNWNNR-MRXNPFEDSA-N 1 0 392.503 2.840 40 0 GFABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]C[C@H]3COCCO3)cc12 ZINC000012186385 570620966 /nfs/dbraw/zinc/62/09/66/570620966.db2.gz KLYHFBZALZIBIE-KRWDZBQOSA-N 1 0 396.491 2.516 40 0 GFABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218480549 570903693 /nfs/dbraw/zinc/90/36/93/570903693.db2.gz ABQNVLMROCNAHX-DYXWJJEUSA-N 1 0 387.501 2.751 40 0 GFABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000585106193 570936487 /nfs/dbraw/zinc/93/64/87/570936487.db2.gz BEPGMPGMSAIRTD-LZQZEXGQSA-N 1 0 387.499 2.667 40 0 GFABRO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NCC[NH+](C)C)nc(C3CC3)n1)C2 ZINC000329071803 206244451 /nfs/dbraw/zinc/24/44/51/206244451.db2.gz ZSUDXQOEFSYQAW-OAHLLOKOSA-N 1 0 381.524 2.944 40 0 GFABRO C[NH+](C)CCNc1nc(NCc2cccc(Cl)c2)cc(-c2cccnc2)n1 ZINC000328980349 206239351 /nfs/dbraw/zinc/23/93/51/206239351.db2.gz GLEKRKTVJKVPNP-UHFFFAOYSA-N 1 0 382.899 2.621 40 0 GFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016021958 207070107 /nfs/dbraw/zinc/07/01/07/207070107.db2.gz HLJFSDOUDBCMRB-IFGOHXFYSA-N 1 0 389.883 2.515 40 0 GFABRO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@H+](C[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000019014465 207100246 /nfs/dbraw/zinc/10/02/46/207100246.db2.gz SWAILVFTAAUJJV-FUHWJXTLSA-N 1 0 396.535 2.600 40 0 GFABRO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019079267 207101581 /nfs/dbraw/zinc/10/15/81/207101581.db2.gz NUQUBVNOSDOERA-LIRRHRJNSA-N 1 0 384.455 2.783 40 0 GFABRO Cn1nc(C(C)(C)C)cc1C(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019083778 207103291 /nfs/dbraw/zinc/10/32/91/207103291.db2.gz VSLKQXQKOOUGNC-MRXNPFEDSA-N 1 0 382.512 2.521 40 0 GFABRO COc1ccc(C)cc1CC(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019132982 207104828 /nfs/dbraw/zinc/10/48/28/207104828.db2.gz WLUYEMABNSQUOF-UHFFFAOYSA-N 1 0 394.519 2.730 40 0 GFABRO Cc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1C ZINC000019214176 207107407 /nfs/dbraw/zinc/10/74/07/207107407.db2.gz QSVMBVZXATYKIJ-MSOLQXFVSA-N 1 0 394.519 2.913 40 0 GFABRO O=C(CCCn1cncn1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019294289 207114731 /nfs/dbraw/zinc/11/47/31/207114731.db2.gz LKCXFBPVTSJHSU-ZVDOUQERSA-N 1 0 385.487 2.724 40 0 GFABRO O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019345636 207117156 /nfs/dbraw/zinc/11/71/56/207117156.db2.gz SZYILDSLGMERRP-NRFANRHFSA-N 1 0 376.504 2.907 40 0 GFABRO CCOc1ccccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019520063 207127426 /nfs/dbraw/zinc/12/74/26/207127426.db2.gz TURYVTCRAZREMB-MRXNPFEDSA-N 1 0 380.492 2.883 40 0 GFABRO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)ccc1OCCO ZINC000019550241 207130006 /nfs/dbraw/zinc/13/00/06/207130006.db2.gz WVFOOJWYUUJCGK-VXKWHMMOSA-N 1 0 396.531 2.958 40 0 GFABRO CCN1CC[NH+](C2CCN(C(=O)Cn3c(C)nc4cc(C)c(C)cc43)CC2)CC1 ZINC000019528131 207130425 /nfs/dbraw/zinc/13/04/25/207130425.db2.gz NMPQHCWGTYFTOD-UHFFFAOYSA-N 1 0 397.567 2.590 40 0 GFABRO CCOc1cc(C[N@@H+]2CCC[C@H](c3nc(COC)cc(=O)[nH]3)C2)ccc1OC ZINC000019532000 207130674 /nfs/dbraw/zinc/13/06/74/207130674.db2.gz XXVPSXOGLBHACO-INIZCTEOSA-N 1 0 387.480 2.703 40 0 GFABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccccc3F)[nH]c(=O)c2C1 ZINC000019448277 207121287 /nfs/dbraw/zinc/12/12/87/207121287.db2.gz PJRTXSDZABUZAG-IBGZPJMESA-N 1 0 398.482 2.582 40 0 GFABRO COc1cccc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)c1F ZINC000019567169 207135998 /nfs/dbraw/zinc/13/59/98/207135998.db2.gz QNNZHDLFXFSFEH-UHFFFAOYSA-N 1 0 380.423 2.580 40 0 GFABRO CN(CC(=O)NC1CC[NH+](CC2(c3ccccc3)CC2)CC1)C(=O)c1ccco1 ZINC000019585934 207139588 /nfs/dbraw/zinc/13/95/88/207139588.db2.gz BLKDMGATTJJQAN-UHFFFAOYSA-N 1 0 395.503 2.664 40 0 GFABRO Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c(C)c1C ZINC000019556165 207132645 /nfs/dbraw/zinc/13/26/45/207132645.db2.gz DZQMUBHFEAZSIZ-BFUOFWGJSA-N 1 0 382.512 2.559 40 0 GFABRO Cc1nc(-c2ccc(CNC(=O)CC[N@H+]3CCC[C@@H](C)C3)cc2)ccc1C(N)=O ZINC000019700575 207149856 /nfs/dbraw/zinc/14/98/56/207149856.db2.gz URSJLCVBGPETGS-MRXNPFEDSA-N 1 0 394.519 2.894 40 0 GFABRO COCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCc1ccccc1C2=O ZINC000019593512 207142981 /nfs/dbraw/zinc/14/29/81/207142981.db2.gz FPLUFNZDGDCNJF-XUZZJYLKSA-N 1 0 392.499 2.697 40 0 GFABRO COCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019593500 207143561 /nfs/dbraw/zinc/14/35/61/207143561.db2.gz PSRXPCBSUFHNAY-WOJBJXKFSA-N 1 0 384.451 2.519 40 0 GFABRO CCn1cc(-c2cc(NC[C@@H](c3ccccc3OC)[NH+](C)C)nc(N)n2)cn1 ZINC000019718026 207155133 /nfs/dbraw/zinc/15/51/33/207155133.db2.gz XFTKKZRASWUCCW-KRWDZBQOSA-N 1 0 381.484 2.666 40 0 GFABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000020105642 207177062 /nfs/dbraw/zinc/17/70/62/207177062.db2.gz BDPYAAFNWLNOJI-GOSISDBHSA-N 1 0 382.526 2.547 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000020636710 207208982 /nfs/dbraw/zinc/20/89/82/207208982.db2.gz PGVANTOMROFXNR-VQTJNVASSA-N 1 0 391.471 2.760 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(C)c1 ZINC000020636881 207209588 /nfs/dbraw/zinc/20/95/88/207209588.db2.gz XOOXWDQEPNQMHK-WOJBJXKFSA-N 1 0 391.471 2.760 40 0 GFABRO COc1cccc(-c2nccnc2[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC000072358554 208004126 /nfs/dbraw/zinc/00/41/26/208004126.db2.gz CLFLFKGBJDAPDR-SFHVURJKSA-N 1 0 380.492 2.954 40 0 GFABRO C[NH+](C)CCCNC(=O)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 ZINC000096037691 208255709 /nfs/dbraw/zinc/25/57/09/208255709.db2.gz LXQINXLXXVKQMO-UHFFFAOYSA-N 1 0 396.539 2.637 40 0 GFABRO CC(C)n1cnc2c1[C@H](C(=O)N1CCC([NH+]3CCCC3)CC1)N(CC1CC1)CC2 ZINC000096265041 208297989 /nfs/dbraw/zinc/29/79/89/208297989.db2.gz GYYQGROWOZODQD-JOCHJYFZSA-N 1 0 399.583 2.860 40 0 GFABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)C(=O)c3cc(C4CC4)nn3C)n(C)n2)CC1 ZINC000100687708 208379858 /nfs/dbraw/zinc/37/98/58/208379858.db2.gz HVTUFDKTAUVBOB-IYBDPMFKSA-N 1 0 398.555 2.796 40 0 GFABRO C[NH+](C)CCNC(=O)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 ZINC000306134228 209101443 /nfs/dbraw/zinc/10/14/43/209101443.db2.gz NGGQXYMIUCTGEN-UHFFFAOYSA-N 1 0 388.475 2.538 40 0 GFABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 ZINC000306124773 209098075 /nfs/dbraw/zinc/09/80/75/209098075.db2.gz BZACACACWPNDCQ-SFHVURJKSA-N 1 0 392.507 2.649 40 0 GFABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccoc3)C[C@H]1C2 ZINC000306126741 209097670 /nfs/dbraw/zinc/09/76/70/209097670.db2.gz FDULWWGQZVCOBF-CABCVRRESA-N 1 0 381.411 2.567 40 0 GFABRO Cc1c(C[NH+]2CCC3(CC[C@@H]4ON=C(C(=O)NC5CCCC5)[C@@H]43)CC2)cnn1C ZINC000248035272 209030377 /nfs/dbraw/zinc/03/03/77/209030377.db2.gz MMYCMQTZTUVLOP-RBUKOAKNSA-N 1 0 399.539 2.534 40 0 GFABRO COc1ccccc1CN(C)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2Cl)[C@@H]1O ZINC000257272042 209064581 /nfs/dbraw/zinc/06/45/81/209064581.db2.gz NAVZTBMLGUBBHJ-XCLNPWKQSA-N 1 0 376.884 2.689 40 0 GFABRO CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CC[NH3+])nc(C2CC2)n1 ZINC000257287883 209068981 /nfs/dbraw/zinc/06/89/81/209068981.db2.gz PRWJBFJVFZUKTG-QGZVFWFLSA-N 1 0 378.480 2.626 40 0 GFABRO COc1cccc2c1OC(C)(C)[C@H]1CC[C@H](C3CC[NH+](CC(N)=O)CC3)O[C@H]21 ZINC000257297509 209070630 /nfs/dbraw/zinc/07/06/30/209070630.db2.gz RHOFRQAAVIQQNS-SQGPQFPESA-N 1 0 388.508 2.900 40 0 GFABRO Cc1nc2c(nnn2Cc2ccccc2)c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000057709737 136153925 /nfs/dbraw/zinc/15/39/25/136153925.db2.gz NELXWQAJJVSQSK-UHFFFAOYSA-N 1 0 399.502 2.900 40 0 GFABRO C[C@H](C[N@@H+]1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000072335497 136168398 /nfs/dbraw/zinc/16/83/98/136168398.db2.gz FABMBFBEXQWRLX-BRWVUGGUSA-N 1 0 382.508 2.958 40 0 GFABRO CCCn1cnc2sc(C(=O)N3CCC[C@]4(C)[NH2+]CCC[C@@H]34)c(C)c2c1=O ZINC000257305245 209073396 /nfs/dbraw/zinc/07/33/96/209073396.db2.gz SPBCJYPXXJBOTD-VLIAUNLRSA-N 1 0 388.537 2.923 40 0 GFABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072345963 222233138 /nfs/dbraw/zinc/23/31/38/222233138.db2.gz JXAUFCXKDBZSSB-SFHVURJKSA-N 1 0 388.475 2.599 40 0 GFABRO CC(=O)N1CCc2nc([C@H]3CCC[N@H+](CCOc4cccc(C)c4)C3)ncc2C1 ZINC000072390876 222246060 /nfs/dbraw/zinc/24/60/60/222246060.db2.gz DQYYJNVVXCENJI-IBGZPJMESA-N 1 0 394.519 2.948 40 0 GFABRO C[C@]12CC[N@H+](CC3(O)CCN(c4ccccc4F)CC3)[C@H]1CCCCC(=O)N2 ZINC000585283263 570251391 /nfs/dbraw/zinc/25/13/91/570251391.db2.gz MOSOFUYBHVOYDP-FPOVZHCZSA-N 1 0 389.515 2.680 40 0 GFABRO Cc1cccnc1Nc1cc(CC2CCN(C(=O)/C=C/C[NH+](C)C)CC2)ncn1 ZINC000585292525 570261960 /nfs/dbraw/zinc/26/19/60/570261960.db2.gz OAOZUTJJZVXEOP-FNORWQNLSA-N 1 0 394.523 2.823 40 0 GFABRO COc1cccc(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)c1Cl ZINC000664069788 570281060 /nfs/dbraw/zinc/28/10/60/570281060.db2.gz ZSAKFWCZHBMQEH-CALCHBBNSA-N 1 0 384.863 2.966 40 0 GFABRO Cc1c(F)cccc1C[NH+]1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108534762 570312979 /nfs/dbraw/zinc/31/29/79/570312979.db2.gz YHZGXJYLPOLFTK-KRWDZBQOSA-N 1 0 396.528 2.730 40 0 GFABRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C[NH2+]C3CCCC3)cc2)C1 ZINC000000902199 570514420 /nfs/dbraw/zinc/51/44/20/570514420.db2.gz SCFDMWWQRNYHBU-OAHLLOKOSA-N 1 0 379.526 2.578 40 0 GFABRO Cc1ccc2c(c1)CN(C(=O)Cc1ccc3c(c1)OCO3)[C@H](C[NH+](C)C)CO2 ZINC000012406613 570653946 /nfs/dbraw/zinc/65/39/46/570653946.db2.gz SBVDPQSLPFQSEK-GOSISDBHSA-N 1 0 382.460 2.618 40 0 GFABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218532335 570925373 /nfs/dbraw/zinc/92/53/73/570925373.db2.gz PKUDCTXBOKGATM-JENIJYKNSA-N 1 0 393.892 2.788 40 0 GFABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218527077 570925397 /nfs/dbraw/zinc/92/53/97/570925397.db2.gz DFNOHQDZDNWXQD-JENIJYKNSA-N 1 0 393.892 2.788 40 0 GFABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218532170 570925467 /nfs/dbraw/zinc/92/54/67/570925467.db2.gz PKUDCTXBOKGATM-ZIFCJYIRSA-N 1 0 393.892 2.788 40 0 GFABRO COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)C1(F)CCC1)CC2 ZINC000585103739 570929187 /nfs/dbraw/zinc/92/91/87/570929187.db2.gz OAVOYDLAPKLRLV-GOSISDBHSA-N 1 0 375.488 2.803 40 0 GFABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCC(=O)N(C)C)s1 ZINC000585104771 570933621 /nfs/dbraw/zinc/93/36/21/570933621.db2.gz MFDVSFMXPGAFID-KRWDZBQOSA-N 1 0 380.554 2.923 40 0 GFABRO COc1cc(C(=O)N2CC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000238874565 570981547 /nfs/dbraw/zinc/98/15/47/570981547.db2.gz NSLAIJNVHLOKGA-IBGZPJMESA-N 1 0 396.487 2.985 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2cccnc2)n1 ZINC000329034809 206242210 /nfs/dbraw/zinc/24/22/10/206242210.db2.gz RAFZLCSJSAMGDN-UHFFFAOYSA-N 1 0 398.898 2.849 40 0 GFABRO COc1ccc(N2C[C@@H](C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)cc1 ZINC000253412112 206282369 /nfs/dbraw/zinc/28/23/69/206282369.db2.gz PXMAICBDTVDHQB-BBTUJRGHSA-N 1 0 399.535 2.771 40 0 GFABRO COc1cc(-c2nnc(SCC[NH+]3CCCCC3)n2C)cc(OC)c1O ZINC000000919852 206333582 /nfs/dbraw/zinc/33/35/82/206333582.db2.gz YXFDRLAQNMYIIS-UHFFFAOYSA-N 1 0 378.498 2.783 40 0 GFABRO O=C1NCC2(CC[NH+](C[C@H]3COc4ccccc4O3)CC2)N1c1ccccc1 ZINC000001640521 206388591 /nfs/dbraw/zinc/38/85/91/206388591.db2.gz LDOBJJZKPRYYIQ-SFHVURJKSA-N 1 0 379.460 2.891 40 0 GFABRO CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccco2)CC1 ZINC000306140777 209106891 /nfs/dbraw/zinc/10/68/91/209106891.db2.gz VDZUTOMCXYYKTB-UHFFFAOYSA-N 1 0 385.512 2.876 40 0 GFABRO CC[C@@H]1C[N@@H+]2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000017149644 207086472 /nfs/dbraw/zinc/08/64/72/207086472.db2.gz DAXYUDFNWXHGBE-XYEDMTIPSA-N 1 0 384.476 2.700 40 0 biogenic,in-vitro GFABRO C[C@H](Oc1cccc(F)c1)C(=O)N1CCc2nc(C3CC[NH+](C)CC3)ncc2C1 ZINC000019079475 207101041 /nfs/dbraw/zinc/10/10/41/207101041.db2.gz DQXAMRSTBXIHEN-HNNXBMFYSA-N 1 0 398.482 2.777 40 0 GFABRO Cn1nc(C(C)(C)C)cc1C(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019083776 207103223 /nfs/dbraw/zinc/10/32/23/207103223.db2.gz VSLKQXQKOOUGNC-INIZCTEOSA-N 1 0 382.512 2.521 40 0 GFABRO CC(=O)NCCn1nc([C@@H]2CC[N@H+](Cc3ccc(C)c(C)c3)C2)c2nccnc21 ZINC000019213924 207107015 /nfs/dbraw/zinc/10/70/15/207107015.db2.gz LRNALZJKJIVDSZ-LJQANCHMSA-N 1 0 392.507 2.569 40 0 GFABRO O=C(COC[C@H]1COc2ccccc2O1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019375742 207120756 /nfs/dbraw/zinc/12/07/56/207120756.db2.gz YQMTWXNASXQSRS-MOPGFXCFSA-N 1 0 388.508 2.710 40 0 GFABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21)c1cc2ccccc2o1 ZINC000019376277 207119454 /nfs/dbraw/zinc/11/94/54/207119454.db2.gz YHGFJABBENLTRT-HNNXBMFYSA-N 1 0 375.432 2.684 40 0 GFABRO CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019499451 207124975 /nfs/dbraw/zinc/12/49/75/207124975.db2.gz BHCPOGNMTHWJNY-BEFAXECRSA-N 1 0 398.482 2.825 40 0 GFABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cccc(F)c3)[nH]c(=O)c2C1 ZINC000019448295 207122211 /nfs/dbraw/zinc/12/22/11/207122211.db2.gz AOSTXDPQKFNGCS-GOSISDBHSA-N 1 0 384.455 2.653 40 0 GFABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(C(=O)N3CCC(O)CC3)on2)C1 ZINC000019570279 207136250 /nfs/dbraw/zinc/13/62/50/207136250.db2.gz SOJCDNKLNDMMOY-MRXNPFEDSA-N 1 0 399.491 2.660 40 0 GFABRO Cc1nn(C)cc1C[NH+]1CCC([C@H](NC(=O)C2CCC2)c2ccccn2)CC1 ZINC000019583760 207140080 /nfs/dbraw/zinc/14/00/80/207140080.db2.gz GRPRTHTXFIBDIZ-NRFANRHFSA-N 1 0 381.524 2.993 40 0 GFABRO COc1ccc(CCC(=O)N2CCc3nc(C4CC[NH+](C)CC4)ncc3C2)cc1 ZINC000019588274 207139187 /nfs/dbraw/zinc/13/91/87/207139187.db2.gz QCRONTXEAVRHTM-UHFFFAOYSA-N 1 0 394.519 2.812 40 0 GFABRO CCN(C(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1)C1CC[NH+](C)CC1 ZINC000019666925 207149279 /nfs/dbraw/zinc/14/92/79/207149279.db2.gz ZGAPMBKHAHOPEV-SFHVURJKSA-N 1 0 396.535 2.502 40 0 GFABRO C[N@H+]1CCc2nnc([C@@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2CC1 ZINC000019706360 207150139 /nfs/dbraw/zinc/15/01/39/207150139.db2.gz ZEGKJKXUOMDKBW-IBGZPJMESA-N 1 0 392.507 2.544 40 0 GFABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)CCCn1cncn1)Cc1ccccc1O2 ZINC000019583987 207140297 /nfs/dbraw/zinc/14/02/97/207140297.db2.gz IGOUJYBXTKJHRC-UHFFFAOYSA-N 1 0 397.523 2.723 40 0 GFABRO COc1ccc(OC)c(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019590301 207142007 /nfs/dbraw/zinc/14/20/07/207142007.db2.gz MRFOENXOCOYZLU-IBGZPJMESA-N 1 0 396.491 2.849 40 0 GFABRO COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCC(CC[NH+](C)C)CC2)CC1=O ZINC000019664908 207146984 /nfs/dbraw/zinc/14/69/84/207146984.db2.gz MJYKRKLKLSPVKW-SFHVURJKSA-N 1 0 387.524 2.547 40 0 GFABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc(C4CCCCC4)no2)C3)C1 ZINC000019710992 207152507 /nfs/dbraw/zinc/15/25/07/207152507.db2.gz ILIXUBPXJUUBQH-MRXNPFEDSA-N 1 0 398.511 2.779 40 0 GFABRO C[NH+](C)C[C@@H]1[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C2CCN1CC2 ZINC000022591147 207256041 /nfs/dbraw/zinc/25/60/41/207256041.db2.gz PIJASLBJPRDNRA-MQSCRBSSSA-N 1 0 386.536 2.632 40 0 GFABRO CCN1CCC[C@H]([NH2+]Cc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)C1 ZINC000022914968 207265571 /nfs/dbraw/zinc/26/55/71/207265571.db2.gz KNLRYTVGFIYFAK-KRWDZBQOSA-N 1 0 383.471 2.735 40 0 GFABRO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1F ZINC000030326184 207370494 /nfs/dbraw/zinc/37/04/94/207370494.db2.gz UQOMHSNZHYTOPJ-UHFFFAOYSA-N 1 0 378.469 2.909 40 0 GFABRO CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3cccs3)CC2)O1 ZINC000096036763 208256102 /nfs/dbraw/zinc/25/61/02/208256102.db2.gz WWJBVHHCVMKHOR-KRWDZBQOSA-N 1 0 388.537 2.607 40 0 GFABRO CCN1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1ccco1)CC2 ZINC000096037011 208256785 /nfs/dbraw/zinc/25/67/85/208256785.db2.gz QKOCQPAPUIFMCR-UHFFFAOYSA-N 1 0 380.496 2.703 40 0 GFABRO O=C(c1cccc2ncccc21)N1CCC[C@@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075568 208257334 /nfs/dbraw/zinc/25/73/34/208257334.db2.gz QVELOOZWONSYLM-FDDCHVKYSA-N 1 0 395.503 2.578 40 0 GFABRO Cc1nc(CN2CCN(C)C(=O)C23CC[NH+](CC2CCCC2)CC3)cs1 ZINC000096077201 208261025 /nfs/dbraw/zinc/26/10/25/208261025.db2.gz RFZUPYCSLXYOHL-UHFFFAOYSA-N 1 0 376.570 2.750 40 0 GFABRO COCCN(C)c1nc(C2CC[NH+](Cc3cccnc3)CC2)cc2c1ncn2C ZINC000096099965 208263653 /nfs/dbraw/zinc/26/36/53/208263653.db2.gz RLCGTWCZMFDFQD-UHFFFAOYSA-N 1 0 394.523 2.826 40 0 GFABRO COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)CCc4cccnc4)C[C@H]3C2)cc1F ZINC000096245538 208294448 /nfs/dbraw/zinc/29/44/48/208294448.db2.gz MCGKZBTZBNOGIT-KDURUIRLSA-N 1 0 383.467 2.752 40 0 GFABRO COC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000100421799 208376107 /nfs/dbraw/zinc/37/61/07/208376107.db2.gz UVNKWBCKIUPKEV-ORGXJRBJSA-N 1 0 396.418 2.516 40 0 GFABRO CSc1ncc(C(=O)N2CCO[C@]3(CCCC[C@H]3[NH+]3CCCC3)C2)c(C)n1 ZINC000306138437 209104013 /nfs/dbraw/zinc/10/40/13/209104013.db2.gz RXMSSJYEBIQPNZ-YLJYHZDGSA-N 1 0 390.553 2.757 40 0 GFABRO COc1ccc(CC[NH2+]Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000013999234 208787361 /nfs/dbraw/zinc/78/73/61/208787361.db2.gz WZGONNSUQBXPFL-UHFFFAOYSA-N 1 0 398.459 2.895 40 0 GFABRO CN1CC2(CC[NH+](Cc3cccnc3)CC2)c2nn(-c3ccccc3)cc2C1=O ZINC000306126201 209096962 /nfs/dbraw/zinc/09/69/62/209096962.db2.gz DPJLBOSCSPXYFT-UHFFFAOYSA-N 1 0 387.487 2.887 40 0 GFABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)[nH+]1 ZINC000257217918 209058444 /nfs/dbraw/zinc/05/84/44/209058444.db2.gz DBCPVMFSVTYSHC-CQSZACIVSA-N 1 0 378.473 2.868 40 0 GFABRO C[NH+]1CCN(c2ccc(NC(=S)NCCCc3ccc(F)cc3)cn2)CC1 ZINC000223969202 136206177 /nfs/dbraw/zinc/20/61/77/136206177.db2.gz GNMNFGOBJUJHDS-UHFFFAOYSA-N 1 0 387.528 2.892 40 0 GFABRO [NH3+][C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCC(Cc2ccccc2)CC1 ZINC000257340068 209078472 /nfs/dbraw/zinc/07/84/72/209078472.db2.gz ZEHVCOMAVHRJSL-LGKPFJOYSA-N 1 0 384.495 2.988 40 0 GFABRO CCn1cc(C[N@@H+]2C[C@H](NC(C)=O)[C@@H](c3cn(C)c4ccc(OC)cc34)C2)cn1 ZINC000072395733 222250366 /nfs/dbraw/zinc/25/03/66/222250366.db2.gz DYMYMHMGHUBJMV-RTWAWAEBSA-N 1 0 395.507 2.507 40 0 GFABRO COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)c(OC)c1 ZINC000101319451 533997482 /nfs/dbraw/zinc/99/74/82/533997482.db2.gz UALIABQOEVDVNS-SFHVURJKSA-N 1 0 393.443 2.649 40 0 GFABRO COc1ccc(OC)c(NC(=S)N2CC[NH+](C3CCSCC3)CC2)c1 ZINC000225216032 553058853 /nfs/dbraw/zinc/05/88/53/553058853.db2.gz YERMPDLRFSOPRE-UHFFFAOYSA-N 1 0 381.567 2.914 40 0 GFABRO O=C(C1CC1)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 ZINC000225474804 560042997 /nfs/dbraw/zinc/04/29/97/560042997.db2.gz HSCSAVLUBDYTSP-UHFFFAOYSA-N 1 0 397.544 2.921 40 0 biogenic,in-vitro GFABRO Cc1cccc(OC[C@]2(C[NH2+]Cc3cn(C)c4ccccc34)C[C@@H](O)[C@@H](O)C2)n1 ZINC000107430361 560044914 /nfs/dbraw/zinc/04/49/14/560044914.db2.gz IRCSPLGDPURNIO-IUTQVRIDSA-N 1 0 395.503 2.552 40 0 biogenic,in-vitro GFABRO Nc1nc(C2CC[NH+](CCc3ccccc3)CC2)ccc1C(=O)N1CCOCC1 ZINC000019766026 570217693 /nfs/dbraw/zinc/21/76/93/570217693.db2.gz LJSDRZLUVVAPQF-UHFFFAOYSA-N 1 0 394.519 2.558 40 0 GFABRO O=C(Cc1ccccc1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000585262190 570229496 /nfs/dbraw/zinc/22/94/96/570229496.db2.gz UQPYBCYUTCIOTG-HTDNTCHWSA-N 1 0 394.515 2.781 40 0 GFABRO COCCOc1cc(C[N@H+](C)C[C@H](O)COc2ccccc2)ccc1OC ZINC000585262529 570230624 /nfs/dbraw/zinc/23/06/24/570230624.db2.gz MBUOBDRCXHCINE-SFHVURJKSA-N 1 0 375.465 2.592 40 0 GFABRO COc1cc(C[N@H+](C)C[C@@H](O)COc2ccc(C)cc2C)ccc1OCCO ZINC000585262501 570230644 /nfs/dbraw/zinc/23/06/44/570230644.db2.gz GYWGMHPZQFWVLI-LJQANCHMSA-N 1 0 389.492 2.555 40 0 GFABRO CC(=O)N1CC[N@@H+](C2CCCCCC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585284683 570253912 /nfs/dbraw/zinc/25/39/12/570253912.db2.gz ZAAOSVBDEFTKMS-NRFANRHFSA-N 1 0 378.488 2.823 40 0 GFABRO C[NH+](C)C/C=C/C(=O)N1CCC[C@@H](Cc2cc(Nc3ccccn3)ncn2)C1 ZINC000585292551 570261916 /nfs/dbraw/zinc/26/19/16/570261916.db2.gz OLSSMGBXBAFKIW-NADMHLTPSA-N 1 0 380.496 2.514 40 0 GFABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 ZINC000223254801 570453135 /nfs/dbraw/zinc/45/31/35/570453135.db2.gz WHJNHCBANGPUCN-WOJBJXKFSA-N 1 0 392.532 2.801 40 0 GFABRO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000225293976 570562558 /nfs/dbraw/zinc/56/25/58/570562558.db2.gz KFEPHKAFXKFBPA-SILNSSARSA-N 1 0 397.475 2.661 40 0 GFABRO CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000011714592 570580579 /nfs/dbraw/zinc/58/05/79/570580579.db2.gz KSTKIRKSCNNFMZ-UHFFFAOYSA-N 1 0 387.505 2.584 40 0 GFABRO CCOC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC000038836311 570587246 /nfs/dbraw/zinc/58/72/46/570587246.db2.gz OMNZALSRRKNOKR-QGZVFWFLSA-N 1 0 393.915 2.853 40 0 GFABRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC3(CC2)Nc2ccccc2C(=O)N3)o1 ZINC000012145754 570616397 /nfs/dbraw/zinc/61/63/97/570616397.db2.gz DRZALAHAAQKANR-UHFFFAOYSA-N 1 0 396.491 2.909 40 0 GFABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000012205189 570626005 /nfs/dbraw/zinc/62/60/05/570626005.db2.gz LGHFYKHEWJFKKA-OKILXGFUSA-N 1 0 379.888 2.732 40 0 GFABRO O[C@H](C[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCC2 ZINC000012292573 570633827 /nfs/dbraw/zinc/63/38/27/570633827.db2.gz YTDVWPKJDIMCDL-HXUWFJFHSA-N 1 0 381.472 2.921 40 0 GFABRO COc1cccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)c1 ZINC000012330102 570644692 /nfs/dbraw/zinc/64/46/92/570644692.db2.gz DIXBVXAXHALXCO-WOJBJXKFSA-N 1 0 385.460 2.785 40 0 GFABRO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCC[NH+](C)C)cc1 ZINC000010111432 570781968 /nfs/dbraw/zinc/78/19/68/570781968.db2.gz LMXVWOBVVYMQSN-UHFFFAOYSA-N 1 0 389.521 2.502 40 0 GFABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)C(=O)c3cc(C4CC4)nn3C)n(C)n2)CC1 ZINC000257240926 570893872 /nfs/dbraw/zinc/89/38/72/570893872.db2.gz HVTUFDKTAUVBOB-WKILWMFISA-N 1 0 398.555 2.796 40 0 GFABRO CC[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(C(=O)c3ccnc(F)c3)C2)C1 ZINC000585102841 570931149 /nfs/dbraw/zinc/93/11/49/570931149.db2.gz KJCAXJARKBMABX-SIKLNZKXSA-N 1 0 398.482 2.617 40 0 GFABRO Cc1cc(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccncc4)[C@H]3C2)n(C)n1 ZINC000585109537 570937728 /nfs/dbraw/zinc/93/77/28/570937728.db2.gz AZJUFKNXLNAOOS-FDFHNCONSA-N 1 0 387.487 2.824 40 0 GFABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000409057405 231151856 /nfs/dbraw/zinc/15/18/56/231151856.db2.gz PLQWVFWKJUXVCQ-LADMSCKDSA-O 1 0 388.422 2.842 40 0 GFABRO C[NH+](C)CCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccnc2)n1 ZINC000329059538 206243572 /nfs/dbraw/zinc/24/35/72/206243572.db2.gz WHMAJIJTZDGCHW-UHFFFAOYSA-N 1 0 398.461 2.636 40 0 GFABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NC ZINC000004217025 206261126 /nfs/dbraw/zinc/26/11/26/206261126.db2.gz VBWVFQIJCNAECD-SFHVURJKSA-N 1 0 386.565 2.936 40 0 GFABRO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@H+](CC4CCCCC4)C3)[nH]c(=O)c2C1 ZINC000019014784 207100184 /nfs/dbraw/zinc/10/01/84/207100184.db2.gz UGFWGVJGEUIZLI-SFHVURJKSA-N 1 0 398.551 2.824 40 0 GFABRO C[C@H](C(=O)N1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1)N1CCCC1=O ZINC000019079647 207101818 /nfs/dbraw/zinc/10/18/18/207101818.db2.gz OENKMFWASCSREH-IMHYJWESSA-N 1 0 399.535 2.662 40 0 GFABRO COc1ccc(OC)c([C@@H](O)CN2CCC[N@H+](Cc3ncccc3C)CC2)c1 ZINC000019237799 207110510 /nfs/dbraw/zinc/11/05/10/207110510.db2.gz HOWGOWZXHILUSZ-NRFANRHFSA-N 1 0 385.508 2.649 40 0 GFABRO CNc1ncc(C[NH2+][C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cn1 ZINC000019285361 207112067 /nfs/dbraw/zinc/11/20/67/207112067.db2.gz NDMWNTUXHMTMCZ-KRWDZBQOSA-N 1 0 384.871 2.637 40 0 GFABRO Cc1nnnn1-c1ccc(CC(=O)N2CCCC[C@H]2C[NH+]2CCCCCC2)cc1 ZINC000019288420 207112619 /nfs/dbraw/zinc/11/26/19/207112619.db2.gz RKFCTDHBZWFBOS-NRFANRHFSA-N 1 0 396.539 2.770 40 0 GFABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)c3csc4c3CCCC4)C2)c2cccnc21 ZINC000019346704 207118289 /nfs/dbraw/zinc/11/82/89/207118289.db2.gz KXEFCBKDNBQFKY-CQSZACIVSA-N 1 0 395.532 2.960 40 0 GFABRO CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019499410 207124898 /nfs/dbraw/zinc/12/48/98/207124898.db2.gz XLMPTCJXRPZZNA-QZTJIDSGSA-N 1 0 384.455 2.783 40 0 GFABRO CCn1nc(C)c(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C ZINC000019523827 207128125 /nfs/dbraw/zinc/12/81/25/207128125.db2.gz INOLWCATLNCXDC-SFHVURJKSA-N 1 0 398.555 2.973 40 0 GFABRO CCN1CC[NH+](C2CCN(C(=O)c3cccc(-n4nc(C)cc4C)c3)CC2)CC1 ZINC000019528139 207131279 /nfs/dbraw/zinc/13/12/79/207131279.db2.gz LZPRROIFQZAYIC-UHFFFAOYSA-N 1 0 395.551 2.731 40 0 GFABRO COc1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c(OC)c1 ZINC000019590447 207141290 /nfs/dbraw/zinc/14/12/90/207141290.db2.gz DIUCPFKEOCKEQZ-HNNXBMFYSA-N 1 0 396.491 2.502 40 0 GFABRO COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019590294 207142269 /nfs/dbraw/zinc/14/22/69/207142269.db2.gz IPQAPFWTLWADSL-HXUWFJFHSA-N 1 0 380.492 2.769 40 0 GFABRO C[C@@H](c1cc(=O)[nH]c(NCC(C)(C)C[NH+](C)C)n1)n1ncc2ccccc2c1=O ZINC000019717573 207153995 /nfs/dbraw/zinc/15/39/95/207153995.db2.gz IFRRIYJCALANCN-AWEZNQCLSA-N 1 0 396.495 2.501 40 0 GFABRO Cc1cc(C)n([C@H](C)CC(=O)NC[C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)n1 ZINC000022888226 207263604 /nfs/dbraw/zinc/26/36/04/207263604.db2.gz RDAZQZRCLWKNEX-IFMALSPDSA-N 1 0 397.567 2.864 40 0 GFABRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)ccc1N1CCCC1=O ZINC000030859814 207376114 /nfs/dbraw/zinc/37/61/14/207376114.db2.gz TZGBUPDXKFVAQJ-UHFFFAOYSA-N 1 0 393.553 2.522 40 0 GFABRO O=S(=O)(N[C@H]1CCC12CC[NH+](CC1CCOCC1)CC2)c1ccccc1 ZINC000096051671 208256376 /nfs/dbraw/zinc/25/63/76/208256376.db2.gz ZYOULQABISIXEM-IBGZPJMESA-N 1 0 378.538 2.636 40 0 GFABRO CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1ccsc1)CCC2 ZINC000096056123 208258615 /nfs/dbraw/zinc/25/86/15/208258615.db2.gz ARPKXXDPTQRGPP-RXVVDRJESA-N 1 0 384.549 2.950 40 0 GFABRO Cn1nc(C(=O)N2CCC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)c2ccccc21 ZINC000096228375 208288617 /nfs/dbraw/zinc/28/86/17/208288617.db2.gz ZESGVEDIMLBCLL-HTAPYJJXSA-N 1 0 382.508 2.680 40 0 GFABRO CN(C)c1nc2c(cc1C(=O)N1CCCC1)CC[N@H+](Cc1ccccc1)CC2 ZINC000096260383 208295703 /nfs/dbraw/zinc/29/57/03/208295703.db2.gz HQTQTAGXBFVORX-UHFFFAOYSA-N 1 0 378.520 2.984 40 0 GFABRO CNC(=O)c1cc2c(nc1NCC(C)C)CC[N@H+](Cc1c(C)noc1C)CC2 ZINC000096260487 208296797 /nfs/dbraw/zinc/29/67/97/208296797.db2.gz QYRDIPKTWBWBTJ-UHFFFAOYSA-N 1 0 385.512 2.715 40 0 GFABRO CC(C)n1cc(C[NH+]2CCC3(CC[C@@H]4ON=C(C(=O)N5CC=CC5)[C@@H]43)CC2)cn1 ZINC000306138371 209104071 /nfs/dbraw/zinc/10/40/71/209104071.db2.gz RVYKIZZGMCZNRM-RBUKOAKNSA-N 1 0 397.523 2.609 40 0 GFABRO C[NH+](C)C[C@H]1CC[C@]2(COCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)O1 ZINC000306138125 209103614 /nfs/dbraw/zinc/10/36/14/209103614.db2.gz RPVYTRKQMULVPO-QUCCMNQESA-N 1 0 392.927 2.710 40 0 GFABRO COc1ncccc1CN1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccc1 ZINC000306123236 209095825 /nfs/dbraw/zinc/09/58/25/209095825.db2.gz AIEYGXZHNLKIGI-LEWJYISDSA-N 1 0 388.471 2.973 40 0 GFABRO COc1cc2c(cc1OC)CN(c1cc(N[C@H](CO)C(C)C)[nH+]c(C)n1)CC2 ZINC000329004272 533172426 /nfs/dbraw/zinc/17/24/26/533172426.db2.gz KQQQVRAEDGWVOZ-QGZVFWFLSA-N 1 0 386.496 2.794 40 0 GFABRO COc1ccc(C(=O)N2CC3(C2)CC[C@@H](C[NH+]2CCCCC2)CO3)cc1F ZINC000248147390 209028303 /nfs/dbraw/zinc/02/83/03/209028303.db2.gz UGWOVKKLQMEYSE-INIZCTEOSA-N 1 0 376.472 2.941 40 0 GFABRO CC(=O)NCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@H]2Cc1ccccc1 ZINC000257208208 209056142 /nfs/dbraw/zinc/05/61/42/209056142.db2.gz BLDQNEHAYRORIH-KHYDEXNFSA-N 1 0 383.536 2.598 40 0 GFABRO CC(=O)NCc1cccc(-c2cccnc2C(=O)NCC[NH+]2CCCCC2)c1 ZINC000257275092 209065675 /nfs/dbraw/zinc/06/56/75/209065675.db2.gz NNWILARBMPYGIO-UHFFFAOYSA-N 1 0 380.492 2.600 40 0 GFABRO Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCCCC2)cn1 ZINC000257274327 209066650 /nfs/dbraw/zinc/06/66/50/209066650.db2.gz NKMWUINEJYGHLO-CZYKHXBRSA-N 1 0 395.503 2.555 40 0 GFABRO CCC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2ccc(OC)cc2)CC1 ZINC000257283479 209067504 /nfs/dbraw/zinc/06/75/04/209067504.db2.gz OYNAMJHIBLOQNB-CTNGQTDRSA-N 1 0 387.524 2.549 40 0 GFABRO CN(C)C(=O)[C@H]1CCCN(C(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)C1 ZINC000257288898 209069583 /nfs/dbraw/zinc/06/95/83/209069583.db2.gz PWDHTIMMFYPRMM-IBGZPJMESA-N 1 0 394.519 2.751 40 0 GFABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1)c1ccncn1 ZINC000257302155 209071291 /nfs/dbraw/zinc/07/12/91/209071291.db2.gz SBSSISIDUXQDOD-FUDKSRODSA-N 1 0 394.519 2.544 40 0 GFABRO C[NH+]1CCN(c2ccc(NC(=S)NCc3ccc(Cl)cc3)cn2)CC1 ZINC000223930805 136206120 /nfs/dbraw/zinc/20/61/20/136206120.db2.gz WFRCVYHBCKRRDS-UHFFFAOYSA-N 1 0 375.929 2.973 40 0 GFABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000224380151 136207009 /nfs/dbraw/zinc/20/70/09/136207009.db2.gz OBOKEUVLZHYWGU-UHFFFAOYSA-N 1 0 393.553 2.613 40 0 GFABRO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CC[N@H+](Cc3ccnn3C)C2)cc1 ZINC000257327647 209076537 /nfs/dbraw/zinc/07/65/37/209076537.db2.gz XCESXKJUMPDSNW-KRWDZBQOSA-N 1 0 392.507 2.941 40 0 GFABRO CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)C[NH+](C)C ZINC000257322949 209077307 /nfs/dbraw/zinc/07/73/07/209077307.db2.gz WIFDVULWCZPEER-CFKFVRPNSA-N 1 0 397.563 2.940 40 0 GFABRO CCOc1ccccc1C(=O)NCCn1nc([C@H]2CC[N@H+](C)C2)c2cccnc21 ZINC000072391587 222249734 /nfs/dbraw/zinc/24/97/34/222249734.db2.gz OGFNJZPDBYAECI-INIZCTEOSA-N 1 0 393.491 2.679 40 0 GFABRO [NH3+]C[C@@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218529611 553053894 /nfs/dbraw/zinc/05/38/94/553053894.db2.gz NSDWPWFPWWQESM-IXDOHACOSA-N 1 0 386.300 2.871 40 0 GFABRO COc1ccc2c3c1O[C@]1(C)[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)=O)C2 ZINC000253504323 560038404 /nfs/dbraw/zinc/03/84/04/560038404.db2.gz FNIFBBNFYMIPEZ-REAOZQTLSA-N 1 0 395.499 2.895 40 0 biogenic,in-vitro GFABRO Cc1cc(O[C@@H]2C[N@H+](Cc3ccc(OCCO)cc3)C[C@H]2O)cc(C)c1Cl ZINC000585268281 570233913 /nfs/dbraw/zinc/23/39/13/570233913.db2.gz DOLXRYKJACLBIZ-WOJBJXKFSA-N 1 0 391.895 2.952 40 0 GFABRO CC(=O)N1CCCC[C@H]2[C@@H]1CC[N@@H+]2CC1(O)CCN(c2ccccc2C)CC1 ZINC000585282853 570250968 /nfs/dbraw/zinc/25/09/68/570250968.db2.gz INKUWGRQDOLUMC-VXKWHMMOSA-N 1 0 385.552 2.802 40 0 GFABRO Cc1cccnc1Nc1cc(C[C@H]2CCCN(C(=O)/C=C/C[NH+](C)C)C2)ncn1 ZINC000585291278 570259824 /nfs/dbraw/zinc/25/98/24/570259824.db2.gz ANPJWAKIEZEGLZ-AHKGRUIUSA-N 1 0 394.523 2.823 40 0 GFABRO FC1(F)CCC(N2CC3(C2)C[N@H+](Cc2ccccc2)C[C@@H]2COCCN23)CC1 ZINC000604381545 570352305 /nfs/dbraw/zinc/35/23/05/570352305.db2.gz HMAKCNQFMYAIEC-HXUWFJFHSA-N 1 0 391.506 2.835 40 0 biogenic,in-vitro GFABRO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4[C@@H]3[n+]3ccccc32)cc1 ZINC000005119150 570429847 /nfs/dbraw/zinc/42/98/47/570429847.db2.gz HSVUYOOLMQTDSC-CBPXPLCBSA-N 1 0 383.427 2.837 40 0 GFABRO CC[NH+](CC)CCOC(=O)CCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000005214750 570431528 /nfs/dbraw/zinc/43/15/28/570431528.db2.gz QTMNAFGPMLULLA-PEZBUJJGSA-N 1 0 376.478 2.998 40 0 GFABRO COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000223584940 570472649 /nfs/dbraw/zinc/47/26/49/570472649.db2.gz GYWYAWQFPBEZHP-RGEXLXHISA-N 1 0 399.516 2.738 40 0 GFABRO COc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1CO ZINC000012086109 570606262 /nfs/dbraw/zinc/60/62/62/570606262.db2.gz JGBCCUMDVZEZDZ-UHFFFAOYSA-N 1 0 392.503 2.668 40 0 GFABRO CC(C)[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188585 570621723 /nfs/dbraw/zinc/62/17/23/570621723.db2.gz LWWGBHMHMNVKCK-HSZRJFAPSA-N 1 0 397.519 2.939 40 0 GFABRO COc1ccccc1/C=C\C[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1 ZINC000012365920 570646612 /nfs/dbraw/zinc/64/66/12/570646612.db2.gz QLPVJGLMQLAYKJ-WLPBJKJWSA-N 1 0 396.491 2.530 40 0 GFABRO O=C(C[NH+]1CCC(n2nnc3cc(F)ccc32)CC1)NCCc1ccccc1 ZINC000004968209 570654766 /nfs/dbraw/zinc/65/47/66/570654766.db2.gz ASZUBXNGBPGYCK-UHFFFAOYSA-N 1 0 381.455 2.566 40 0 GFABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Br)c1OCC(N)=O ZINC000008470012 570770252 /nfs/dbraw/zinc/77/02/52/570770252.db2.gz JVILWFLHZHFUME-UHFFFAOYSA-N 1 0 397.244 2.751 40 0 GFABRO C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CCN(C(=O)c1ccnc(F)c1)CC2 ZINC000585100013 570923600 /nfs/dbraw/zinc/92/36/00/570923600.db2.gz ZUZXIRJBGHYJBL-GOSISDBHSA-N 1 0 384.455 2.511 40 0 GFABRO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]23)s1 ZINC000585106179 570935896 /nfs/dbraw/zinc/93/58/96/570935896.db2.gz VTZXMUULWLKRMC-SJORKVTESA-N 1 0 389.565 2.755 40 0 GFABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)s2)CC1 ZINC000585106304 570936484 /nfs/dbraw/zinc/93/64/84/570936484.db2.gz QLGHHHKVLJHPLU-OIISXLGYSA-N 1 0 389.565 2.898 40 0 GFABRO COCc1ccccc1-c1cnc2n1CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000585111121 570945076 /nfs/dbraw/zinc/94/50/76/570945076.db2.gz FHEFLKFZQNTLGJ-IBGZPJMESA-N 1 0 382.508 2.566 40 0 GFABRO CCN1CCN(C(=O)CC[NH3+])C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183566 571000745 /nfs/dbraw/zinc/00/07/45/571000745.db2.gz BNXBRJFRCPFZEZ-IBGZPJMESA-N 1 0 397.494 2.691 40 0 GFABRO COc1cccc(C[NH+]2CCC(c3nnc(-c4cnccn4)o3)CC2)c1OC ZINC000019567703 210266506 /nfs/dbraw/zinc/26/65/06/210266506.db2.gz GVGVOICTOBITOM-UHFFFAOYSA-N 1 0 381.436 2.923 40 0 GFABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NC4CC4)on3)C2)c1OC ZINC000019567820 210265247 /nfs/dbraw/zinc/26/52/47/210265247.db2.gz DOKRXHTWHRXIQR-CQSZACIVSA-N 1 0 385.464 2.964 40 0 GFABRO COc1cccc(C[NH+]2CCC(c3cc(C(=O)N[C@H]4CCCOC4)on3)CC2)c1 ZINC000019564920 210264866 /nfs/dbraw/zinc/26/48/66/210264866.db2.gz XWHVZBCVYUIJLR-SFHVURJKSA-N 1 0 399.491 2.972 40 0 GFABRO CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N3CCC[C@@H](C[NH+](C)C)C3)c2N1 ZINC000019520869 210255055 /nfs/dbraw/zinc/25/50/55/210255055.db2.gz HPGZWRJTRVZLJR-YDHLFZDLSA-N 1 0 387.450 2.995 40 0 GFABRO CC(C)N1C[C@@H](C(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)CC1=O ZINC000019447644 210247626 /nfs/dbraw/zinc/24/76/26/210247626.db2.gz QHCPDTGNTGAIFW-HGCBZUSOSA-N 1 0 399.535 2.565 40 0 GFABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21)c1ccc2c(c1)CCCC2 ZINC000019346776 210244531 /nfs/dbraw/zinc/24/45/31/210244531.db2.gz XFRJHBXKCGFUCE-IBGZPJMESA-N 1 0 389.503 2.817 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1OC ZINC000019239174 210236107 /nfs/dbraw/zinc/23/61/07/210236107.db2.gz TXOSSLDRUXFTOW-OAHLLOKOSA-N 1 0 381.436 2.842 40 0 GFABRO Cc1ccc2cc(C(=O)N3CC[C@H](c4nn(CC[NH3+])c5ncccc45)C3)[nH]c2c1 ZINC000019221761 210230317 /nfs/dbraw/zinc/23/03/17/210230317.db2.gz CRZRLLBHOINBCZ-INIZCTEOSA-N 1 0 388.475 2.809 40 0 GFABRO COc1cc(C)ccc1OCC(=O)N1CCc2nc([C@@H]3CCCN3C)ncc2C1 ZINC000019134324 210227204 /nfs/dbraw/zinc/22/72/04/210227204.db2.gz PGMCPVQYJBXLBP-SFHVURJKSA-N 1 0 396.491 2.524 40 0 GFABRO COc1ccccc1O[C@H](C)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019078807 210223584 /nfs/dbraw/zinc/22/35/84/210223584.db2.gz FSUXKVBEFDDMMY-QAPCUYQASA-N 1 0 396.491 2.604 40 0 GFABRO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000010111425 209853381 /nfs/dbraw/zinc/85/33/81/209853381.db2.gz RYLSFSZDHNHGAP-UHFFFAOYSA-N 1 0 389.521 2.502 40 0 GFABRO COc1ccc(C(O)(C(=O)OCC[NH+]2CCCCC2)c2ccc(OC)cc2)cc1 ZINC000001768932 209339203 /nfs/dbraw/zinc/33/92/03/209339203.db2.gz CLWPOVIJZXFQHS-UHFFFAOYSA-N 1 0 399.487 2.969 40 0 GFABRO O=C(NC1CCC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000306139433 212053844 /nfs/dbraw/zinc/05/38/44/212053844.db2.gz SXARQAAFSMUKRO-UHFFFAOYSA-N 1 0 397.498 2.928 40 0 GFABRO CCOc1ccccc1C[N@@H+]1CCOC[C@]2(CC[C@H](CNc3ncccn3)O2)C1 ZINC000306139675 212052657 /nfs/dbraw/zinc/05/26/57/212052657.db2.gz TXKHWKMGZMRZAI-KNQAVFIVSA-N 1 0 398.507 2.737 40 0 GFABRO Cc1ccsc1C[N@H+]1C[C@@H]2c3nnc(C(=O)NCc4ccco4)n3CC[C@@H]2C1 ZINC000306128373 212046866 /nfs/dbraw/zinc/04/68/66/212046866.db2.gz GYQOAJMPIUDIPW-ZBFHGGJFSA-N 1 0 397.504 2.790 40 0 GFABRO CC(C)NC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000306129103 212046383 /nfs/dbraw/zinc/04/63/83/212046383.db2.gz HUSCBRFRCQKEJW-UHFFFAOYSA-N 1 0 385.487 2.784 40 0 GFABRO Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)nc(N)n1 ZINC000257328759 212026776 /nfs/dbraw/zinc/02/67/76/212026776.db2.gz XHACQNVRVHUWNF-NXOMJONSSA-N 1 0 391.519 2.724 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)N2CCC[N@H+](C)CC2)[C@@H]1c1ccccc1Cl ZINC000257330183 212026179 /nfs/dbraw/zinc/02/61/79/212026179.db2.gz XNFXWKOKGDZWKM-APWZRJJASA-N 1 0 377.916 2.804 40 0 GFABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257256906 212013045 /nfs/dbraw/zinc/01/30/45/212013045.db2.gz KNJFICSTNXDYMT-SFTDATJTSA-N 1 0 382.508 2.707 40 0 GFABRO Cc1ccccc1CNc1cc(-c2ccncc2)nc(NCCC[NH+](C)C)n1 ZINC000329071909 209161244 /nfs/dbraw/zinc/16/12/44/209161244.db2.gz ZTPFJVGKIJPBKH-UHFFFAOYSA-N 1 0 376.508 2.667 40 0 GFABRO CC(=O)c1cc2c(cc1NC(=O)CN1CCC([NH+]3CCCCC3)CC1)OCO2 ZINC000026439252 211832646 /nfs/dbraw/zinc/83/26/46/211832646.db2.gz VVMRFWUUSADUIQ-UHFFFAOYSA-N 1 0 387.480 2.507 40 0 GFABRO c1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019369615 211723617 /nfs/dbraw/zinc/72/36/17/211723617.db2.gz RCRASJLIYQLENX-NHCUHLMSSA-N 1 0 396.539 2.502 40 0 GFABRO COc1cccc(CN2CCc3c([nH]c4cc(-c5cc(C)on5)nn4c3=O)C2)c1 ZINC000100182358 211384945 /nfs/dbraw/zinc/38/49/45/211384945.db2.gz JLZFMPZKGXWHKN-UHFFFAOYSA-N 1 0 391.431 2.965 40 0 GFABRO CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CC[N@H+](Cc1ccc(C)s1)C2 ZINC000097952788 211374812 /nfs/dbraw/zinc/37/48/12/211374812.db2.gz RXXMMQACVFTBDX-FQEVSTJZSA-N 1 0 377.554 2.595 40 0 GFABRO CC(C)[NH+]1CCN(c2ccc3ccc(C(=O)NCCc4ccncc4)cn32)CC1 ZINC000096267412 211328168 /nfs/dbraw/zinc/32/81/68/211328168.db2.gz KHHXNOKSBAXKKR-UHFFFAOYSA-N 1 0 391.519 2.837 40 0 GFABRO Cn1cc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NC2CC2)c2ccccc2O3)cn1 ZINC000096053422 211299517 /nfs/dbraw/zinc/29/95/17/211299517.db2.gz DKNOERAYLLUZQH-SFHVURJKSA-N 1 0 394.519 2.990 40 0 GFABRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2CC1CC1 ZINC000096143915 211307675 /nfs/dbraw/zinc/30/76/75/211307675.db2.gz MKDJMGBNBBDDLW-JTHBVZDNSA-N 1 0 377.488 2.950 40 0 GFABRO O=C(N[C@@H]1CCCOC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373040 211102478 /nfs/dbraw/zinc/10/24/78/211102478.db2.gz KTSMHVQMKCNDOR-FSSWDIPSSA-N 1 0 392.499 2.913 40 0 GFABRO Cc1[nH]c2c(cccc2C)c1CC(=O)N1CCn2c(nnc2[C@H]2CCCC[NH2+]2)C1 ZINC000072374051 211106497 /nfs/dbraw/zinc/10/64/97/211106497.db2.gz KTPGZUGWJDCBGA-GOSISDBHSA-N 1 0 392.507 2.776 40 0 GFABRO COc1ccc(-c2cccc([C@H]3CCC[N@H+](CC(=O)N4CCOCC4)C3)n2)cc1 ZINC000072348723 211095767 /nfs/dbraw/zinc/09/57/67/211095767.db2.gz SKJUAHQDMMFGKC-IBGZPJMESA-N 1 0 395.503 2.795 40 0 GFABRO Cc1nc2ccc(C(=O)N3CCn4c(nnc4C4CC[NH+](C)CC4)C3)cc2s1 ZINC000019711277 210285858 /nfs/dbraw/zinc/28/58/58/210285858.db2.gz ASXORWGPBVFUGS-UHFFFAOYSA-N 1 0 396.520 2.661 40 0 GFABRO Cc1cc2ncc(C(=O)N[C@@H](CC[NH+]3CCCCC3)c3ccccc3)c(N)n2n1 ZINC000019715598 210287633 /nfs/dbraw/zinc/28/76/33/210287633.db2.gz GCSNRYDEGUJZBB-IBGZPJMESA-N 1 0 392.507 2.967 40 0 GFABRO CC[C@H](C(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1)[NH+]1CCCC1 ZINC000019708375 210284793 /nfs/dbraw/zinc/28/47/93/210284793.db2.gz FTFQMZGSYXSPSS-OAQYLSRUSA-N 1 0 398.551 2.802 40 0 GFABRO Cc1cccc2[nH]c(C(=O)N3CCc4nnc([C@H]5CCC[N@@H+](C)C5)n4CC3)cc21 ZINC000019709272 210284491 /nfs/dbraw/zinc/28/44/91/210284491.db2.gz FHJSVKGWLBPPOO-INIZCTEOSA-N 1 0 392.507 2.576 40 0 GFABRO COc1ccc(OC)c(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019590300 210272746 /nfs/dbraw/zinc/27/27/46/210272746.db2.gz MRFOENXOCOYZLU-LJQANCHMSA-N 1 0 396.491 2.849 40 0 GFABRO CCN(C(=O)[C@@H]1[C@@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21)C1CC[NH+](C)CC1 ZINC000012122394 221154803 /nfs/dbraw/zinc/15/48/03/221154803.db2.gz SJTCBZRVBOIBSN-XKPYVIEYSA-N 1 0 382.504 2.989 40 0 GFABRO Cc1ccccc1C[N@@H+]1CC[C@@]2(C1)COCc1c(C)nc(N3CCOCC3)nc12 ZINC000096244578 136185706 /nfs/dbraw/zinc/18/57/06/136185706.db2.gz UKRVARDUBIEVTF-HSZRJFAPSA-N 1 0 394.519 2.604 40 0 GFABRO CS(=O)(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)ccc21 ZINC000012291502 136200181 /nfs/dbraw/zinc/20/01/81/136200181.db2.gz YYGZVQVCVZIGGZ-LDQXTDLNSA-N 1 0 392.565 2.944 40 0 GFABRO O=C(NCCC[NH+]1CCCCCC1)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000224388508 136206992 /nfs/dbraw/zinc/20/69/92/136206992.db2.gz SKBGLVGIHOWHSZ-UHFFFAOYSA-N 1 0 393.553 2.613 40 0 GFABRO O[C@@H]1CCN(Cc2nc(C3(O)CC[NH+](CC4CCCCC4)CC3)cs2)C1 ZINC000225464870 560043409 /nfs/dbraw/zinc/04/34/09/560043409.db2.gz JANYLXGIGDZVSM-QGZVFWFLSA-N 1 0 379.570 2.573 40 0 biogenic,in-vitro GFABRO CN(C)CC[NH2+]Cc1cc2c(C(C)(C)C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000022916076 570335315 /nfs/dbraw/zinc/33/53/15/570335315.db2.gz MDVOZZHOOVNLMX-UHFFFAOYSA-N 1 0 385.487 2.802 40 0 GFABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[NH+](CCO)CCO ZINC000118915695 570366960 /nfs/dbraw/zinc/36/69/60/570366960.db2.gz IEQZBQLFRAVFHT-XWRAWWFBSA-N 1 0 377.569 2.965 40 0 in-vitro GFABRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](CN(C(=O)OCc2ccccc2)C(C)C)C1 ZINC000079413410 570597933 /nfs/dbraw/zinc/59/79/33/570597933.db2.gz GBYHFBZRCDNVPT-MOPGFXCFSA-N 1 0 375.513 2.865 40 0 GFABRO COc1ccc(C2([NH2+]Cc3ccc(OCC(=O)N4CCOCC4)cc3)CC2)cc1 ZINC000012238669 570629638 /nfs/dbraw/zinc/62/96/38/570629638.db2.gz IDZODKFTFOSDHG-UHFFFAOYSA-N 1 0 396.487 2.712 40 0 GFABRO COc1ccc(C(=O)NC2CC[NH+](CC(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000004909487 570647908 /nfs/dbraw/zinc/64/79/08/570647908.db2.gz WNLKBBDUDXBGOM-IRXDYDNUSA-N 1 0 387.524 2.679 40 0 GFABRO COC[C@@H]1C[N@H+](Cc2ccco2)CC12CCN(C(=O)c1cscn1)CC2 ZINC000247901085 570717319 /nfs/dbraw/zinc/71/73/19/570717319.db2.gz VYFNLSOTTJZBNN-HNNXBMFYSA-N 1 0 375.494 2.737 40 0 GFABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)Cc3nnc(N)s3)c2)C1 ZINC000019712190 570898387 /nfs/dbraw/zinc/89/83/87/570898387.db2.gz GZHSGGTUDFVBGW-CVEARBPZSA-N 1 0 389.525 2.863 40 0 GFABRO Cc1cc(C[N@@H+]2CCC[C@@]3(CCCN3C(=O)c3snnc3C)CC2)n(C)n1 ZINC000585100609 570924752 /nfs/dbraw/zinc/92/47/52/570924752.db2.gz PMAIICMHUKGROH-LJQANCHMSA-N 1 0 388.541 2.549 40 0 GFABRO C[C@@H]1CN(c2nc(C3CC[NH+](Cc4cccnc4)CC3)cc(=O)[nH]2)C[C@H](C)O1 ZINC000019717526 571040232 /nfs/dbraw/zinc/04/02/32/571040232.db2.gz JABLOKJUMXKEKZ-IYBDPMFKSA-N 1 0 383.496 2.570 40 0 GFABRO COc1ccc(Cl)cc1C(=O)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000019558994 210264407 /nfs/dbraw/zinc/26/44/07/210264407.db2.gz SBLBMEPRODOLCV-UHFFFAOYSA-N 1 0 386.883 2.804 40 0 GFABRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](c2cc(C(=O)NC3CC3)on2)C1 ZINC000019554952 210262063 /nfs/dbraw/zinc/26/20/63/210262063.db2.gz CAYRAHFVVXNJLR-OAHLLOKOSA-N 1 0 379.464 2.903 40 0 GFABRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](c2cc(C(=O)NC3CC3)on2)C1 ZINC000019554955 210261943 /nfs/dbraw/zinc/26/19/43/210261943.db2.gz CAYRAHFVVXNJLR-HNNXBMFYSA-N 1 0 379.464 2.903 40 0 GFABRO COc1ccc(C2(C[NH+]3CCC(NS(C)(=O)=O)CC3)CCCCC2)cc1 ZINC000019553840 210261789 /nfs/dbraw/zinc/26/17/89/210261789.db2.gz IALDGJNQSFAMJQ-UHFFFAOYSA-N 1 0 380.554 2.911 40 0 GFABRO Cc1c(C[N@H+]2CCC[C@@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)cnn1C ZINC000019553647 210261467 /nfs/dbraw/zinc/26/14/67/210261467.db2.gz UOSKGSDQLDNTMQ-QGZVFWFLSA-N 1 0 385.512 2.968 40 0 GFABRO COc1ccc(OC)c(C[N@@H+]2CC[C@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)c1 ZINC000019551441 210261513 /nfs/dbraw/zinc/26/15/13/210261513.db2.gz VSDPLSOZOUQJDT-HNNXBMFYSA-N 1 0 392.459 2.839 40 0 GFABRO COc1cc(C[NH+]2CCC(c3[nH]nc4nccnc43)CC2)cc(OC)c1OC ZINC000019549697 210260024 /nfs/dbraw/zinc/26/00/24/210260024.db2.gz TUAOOHAYMWGOLC-UHFFFAOYSA-N 1 0 383.452 2.758 40 0 GFABRO CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019499437 210255198 /nfs/dbraw/zinc/25/51/98/210255198.db2.gz BSXALHGRFBSHAG-UXHICEINSA-N 1 0 396.491 2.652 40 0 GFABRO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)no1 ZINC000019401692 210247496 /nfs/dbraw/zinc/24/74/96/210247496.db2.gz PUZKCQXGPOGINM-KRWDZBQOSA-N 1 0 377.448 2.774 40 0 GFABRO COc1c(C)cccc1C(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019235832 210232421 /nfs/dbraw/zinc/23/24/21/210232421.db2.gz CLWOUHQWJJYUBK-INIZCTEOSA-N 1 0 380.492 2.801 40 0 GFABRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1O ZINC000019129181 210226942 /nfs/dbraw/zinc/22/69/42/210226942.db2.gz IBHKOUIWDFMFLH-OAHLLOKOSA-N 1 0 397.479 2.722 40 0 GFABRO COc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019078784 210223989 /nfs/dbraw/zinc/22/39/89/210223989.db2.gz BJYDGOBOSGTUJJ-MGPUTAFESA-N 1 0 396.491 2.604 40 0 GFABRO CC(=O)NCCn1nc([C@H]2CC[N@H+](Cc3ccccc3F)C2)c2cccnc21 ZINC000019021846 210223863 /nfs/dbraw/zinc/22/38/63/210223863.db2.gz JDWCTAAWCUOVRE-KRWDZBQOSA-N 1 0 381.455 2.696 40 0 GFABRO CCn1ccc(-c2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c3c(C)noc3n2)n1 ZINC000036618011 210157235 /nfs/dbraw/zinc/15/72/35/210157235.db2.gz IIVHNQWIFZDTIP-GOOCMWNKSA-N 1 0 394.479 2.770 40 0 GFABRO COC(=O)[C@H]1CC(=O)N(c2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000072228537 212058921 /nfs/dbraw/zinc/05/89/21/212058921.db2.gz HYARWHHTOPSAAT-IBGZPJMESA-N 1 0 393.487 2.535 40 0 GFABRO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306140702 212053720 /nfs/dbraw/zinc/05/37/20/212053720.db2.gz VBGXMNKLVHDGRR-MRXNPFEDSA-N 1 0 398.536 2.710 40 0 GFABRO COc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 ZINC000306139384 212053637 /nfs/dbraw/zinc/05/36/37/212053637.db2.gz SVWCZTZYFSVKMK-VXKWHMMOSA-N 1 0 388.471 2.973 40 0 GFABRO O=S1(=O)c2ccccc2O[C@]2(CC[N@@H+](C3CCC3)C2)CN1Cc1ccccn1 ZINC000306140946 212053156 /nfs/dbraw/zinc/05/31/56/212053156.db2.gz VHJWECJXEQEKLI-NRFANRHFSA-N 1 0 399.516 2.662 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306133258 212048352 /nfs/dbraw/zinc/04/83/52/212048352.db2.gz MGUDTYBXZFRPQL-LSDHHAIUSA-N 1 0 379.489 2.896 40 0 GFABRO CC(=O)Nc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@H+]3C)cn1 ZINC000257280906 212017054 /nfs/dbraw/zinc/01/70/54/212017054.db2.gz OMWOHTSLMFUMAU-VAMGGRTRSA-N 1 0 378.476 2.600 40 0 GFABRO CCCn1nccc1C(=O)N(C)C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@@H+]1C ZINC000257261954 212013133 /nfs/dbraw/zinc/01/31/33/212013133.db2.gz LJKODCMSIFSWBB-DWIQEWEKSA-N 1 0 376.545 2.769 40 0 GFABRO C[NH2+]CC(=O)N1CCC(CCc2ccnc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000257258783 212012040 /nfs/dbraw/zinc/01/20/40/212012040.db2.gz KVNKGXXEQGRNIQ-UHFFFAOYSA-N 1 0 398.482 2.864 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2c(F)cccc2F)cc(-c2cccnc2)n1 ZINC000329069635 209159960 /nfs/dbraw/zinc/15/99/60/209159960.db2.gz YYIWLZWZCCYTOH-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3nccs3)cc(C)[nH+]2)C1 ZINC000257223144 212005921 /nfs/dbraw/zinc/00/59/21/212005921.db2.gz DWBXVHIFKXNJJW-CQSZACIVSA-N 1 0 395.554 2.966 40 0 GFABRO CCN(C)C(=O)c1ncn2c1nccc2C1CC[NH+](Cc2cccnc2)CC1 ZINC000096155707 211314254 /nfs/dbraw/zinc/31/42/54/211314254.db2.gz HDUFIWCUGIRATF-UHFFFAOYSA-N 1 0 378.480 2.596 40 0 GFABRO Cn1cncc1C[NH+]1CCC2(CN(C(=O)N3CCCC3)c3ccccc32)CC1 ZINC000096241345 211323572 /nfs/dbraw/zinc/32/35/72/211323572.db2.gz UHZZAUQJCCPWDI-UHFFFAOYSA-N 1 0 379.508 2.990 40 0 GFABRO COc1cccc(C(=O)N2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC000096239891 211322696 /nfs/dbraw/zinc/32/26/96/211322696.db2.gz XHQVCDFUXYWQEW-UHFFFAOYSA-N 1 0 395.503 2.845 40 0 GFABRO COCC[N@H+](C)C[C@H]1CO[C@@]2(C1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096075669 211298911 /nfs/dbraw/zinc/29/89/11/211298911.db2.gz ICOWWPUUQLPLAF-FDDCHVKYSA-N 1 0 397.519 2.824 40 0 GFABRO CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CC[NH+](CC3CC3)CC2)C1 ZINC000072372431 211102509 /nfs/dbraw/zinc/10/25/09/211102509.db2.gz SALASTHEATXZON-OAQYLSRUSA-N 1 0 397.563 2.933 40 0 GFABRO COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC000072346131 211095864 /nfs/dbraw/zinc/09/58/64/211095864.db2.gz TVEGRGLFMLIOKE-KRWDZBQOSA-N 1 0 395.507 2.536 40 0 GFABRO CCOc1ccccc1C(=O)N(C)Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)C)n1 ZINC000019710012 210285973 /nfs/dbraw/zinc/28/59/73/210285973.db2.gz SRCAUBWZQHMJCR-INIZCTEOSA-N 1 0 397.523 2.681 40 0 GFABRO Cn1c2ccccc2nc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1=O ZINC000019715011 210285484 /nfs/dbraw/zinc/28/54/84/210285484.db2.gz LCEMOJRHDGEJPW-UHFFFAOYSA-N 1 0 382.508 2.852 40 0 GFABRO CN(C)c1cccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c1 ZINC000019590451 210273602 /nfs/dbraw/zinc/27/36/02/210273602.db2.gz IUFCKKJUPDKURF-KRWDZBQOSA-N 1 0 379.508 2.550 40 0 GFABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1N1CCCCS1(=O)=O ZINC000224397071 136207013 /nfs/dbraw/zinc/20/70/13/136207013.db2.gz LQRNMDUPZJIWDO-UHFFFAOYSA-N 1 0 393.553 2.531 40 0 GFABRO COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000004621985 536735298 /nfs/dbraw/zinc/73/52/98/536735298.db2.gz MYXNXAUEGCTIKI-UHFFFAOYSA-N 1 0 384.505 2.574 40 0 GFABRO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(NCCCO)[nH+]1 ZINC000328966972 563469050 /nfs/dbraw/zinc/46/90/50/563469050.db2.gz CPXRCIFEUOXKTQ-UHFFFAOYSA-N 1 0 391.313 3.159 40 0 GFABRO CCOCCOc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000585269846 570238800 /nfs/dbraw/zinc/23/88/00/570238800.db2.gz MCOBDRHABVJJHY-IBGZPJMESA-N 1 0 389.492 2.982 40 0 GFABRO COc1ccc(OC)c(C[N@@H+]2C[C@H](c3ccc(Cl)cc3)[C@@H](O)[C@H]2CO)c1 ZINC000585293416 570262634 /nfs/dbraw/zinc/26/26/34/570262634.db2.gz WJAODPFANDJUAN-QWFCFKBJSA-N 1 0 377.868 2.678 40 0 GFABRO OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)[N@@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000585295352 570279750 /nfs/dbraw/zinc/27/97/50/570279750.db2.gz WHYTZQBNFDFCJG-UARRHKHWSA-N 1 0 397.515 2.518 40 0 GFABRO CCC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022467783 570317958 /nfs/dbraw/zinc/31/79/58/570317958.db2.gz HPZANWHPNNPPDR-OAQYLSRUSA-N 1 0 382.504 2.837 40 0 GFABRO COc1cc(CNCC[NH2+]C[C@@H](C)O)ccc1OCc1cccc(Cl)c1 ZINC000022074846 570321357 /nfs/dbraw/zinc/32/13/57/570321357.db2.gz GUJNSHYZJVEAOZ-OAHLLOKOSA-N 1 0 378.900 2.988 40 0 GFABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cccnc2Cl)c1 ZINC000057312901 570356183 /nfs/dbraw/zinc/35/61/83/570356183.db2.gz QMTKYSXCBVLNFG-UHFFFAOYSA-N 1 0 388.855 2.526 40 0 GFABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 ZINC000223261848 570454197 /nfs/dbraw/zinc/45/41/97/570454197.db2.gz OMIFSMXLCBXSCY-PWIZWCRZSA-N 1 0 399.564 2.596 40 0 GFABRO COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000026439340 570465841 /nfs/dbraw/zinc/46/58/41/570465841.db2.gz NBTRRYGPHFDJBM-MRXNPFEDSA-N 1 0 375.513 2.981 40 0 GFABRO CC[NH+](CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000006269583 570474826 /nfs/dbraw/zinc/47/48/26/570474826.db2.gz GVCAJQGJCQGALK-UHFFFAOYSA-N 1 0 375.494 2.559 40 0 GFABRO Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000224350983 570510203 /nfs/dbraw/zinc/51/02/03/570510203.db2.gz PTDWCFISUMRRRP-SILNSSARSA-N 1 0 381.476 2.961 40 0 GFABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225680892 570602391 /nfs/dbraw/zinc/60/23/91/570602391.db2.gz DBIVXHIYUHDBLL-CQSZACIVSA-N 1 0 397.566 2.533 40 0 GFABRO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccncc2)C3)c(OCC)n1 ZINC000012089101 570607222 /nfs/dbraw/zinc/60/72/22/570607222.db2.gz HPBIAFFXIYBRAX-VSOVRNOCSA-N 1 0 398.507 2.789 40 0 GFABRO C[NH+](C)[C@@H](CNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1)c1ccc2c(c1)OCO2 ZINC000012203657 570625614 /nfs/dbraw/zinc/62/56/14/570625614.db2.gz VJCPAESDNBZILW-PGRDOPGGSA-N 1 0 395.459 2.718 40 0 GFABRO Cc1nc(SCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000225904142 570632233 /nfs/dbraw/zinc/63/22/33/570632233.db2.gz GOPTVCYSRDYNMK-HNNXBMFYSA-N 1 0 393.944 2.887 40 0 GFABRO Cc1ccc2c(c1)CN(S(=O)(=O)c1cccc(F)c1)[C@@H](C[NH+](C)C)CO2 ZINC000012406662 570654034 /nfs/dbraw/zinc/65/40/34/570654034.db2.gz LISXOTHQHKVYLZ-KRWDZBQOSA-N 1 0 378.469 2.648 40 0 GFABRO CCc1nnsc1C(=O)N(C)Cc1cc([C@H]2CC[C@H](C[NH2+]C)CC2)nn1C ZINC000257326894 570908139 /nfs/dbraw/zinc/90/81/39/570908139.db2.gz WZARPIZDCIGLMP-HDJSIYSDSA-N 1 0 390.557 2.599 40 0 GFABRO COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](C[N@@H+]3CC3CCCCC3)C2)c1 ZINC000585107898 570939590 /nfs/dbraw/zinc/93/95/90/570939590.db2.gz CQQMRIZIHURUTE-YLJYHZDGSA-N 1 0 378.538 2.970 40 0 GFABRO COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019559023 210264338 /nfs/dbraw/zinc/26/43/38/210264338.db2.gz SYULFWNLRZUKPT-ZDUSSCGKSA-N 1 0 386.883 2.804 40 0 GFABRO Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c(C)c1C ZINC000019556147 210262264 /nfs/dbraw/zinc/26/22/64/210262264.db2.gz QQWUSNZSJIRRLC-XOBRGWDASA-N 1 0 396.539 2.949 40 0 GFABRO COc1ccc(-c2n[nH]c(C(=O)NCC[NH+]3CCC(C)CC3)c2C)c(OC)c1 ZINC000019555162 210261101 /nfs/dbraw/zinc/26/11/01/210261101.db2.gz ONFRPSVHMYNNEV-UHFFFAOYSA-N 1 0 386.496 2.864 40 0 GFABRO CCOc1cc2c(cc1C[N@@H+]1CCC[C@H](c3nc(CC)cc(=O)[nH]3)C1)OCO2 ZINC000019522499 210257030 /nfs/dbraw/zinc/25/70/30/210257030.db2.gz YOFFNQBCEUMRIS-AWEZNQCLSA-N 1 0 385.464 2.839 40 0 GFABRO CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019499411 210253359 /nfs/dbraw/zinc/25/33/59/210253359.db2.gz XLMPTCJXRPZZNA-MSOLQXFVSA-N 1 0 384.455 2.783 40 0 GFABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3cccs3)[nH]c(=O)c2C1 ZINC000019448285 210249275 /nfs/dbraw/zinc/24/92/75/210249275.db2.gz ZQAUUWPCEWCFQF-KRWDZBQOSA-N 1 0 386.521 2.504 40 0 GFABRO O=C(C[NH+]1CCCCC1)N[C@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000019369264 210243948 /nfs/dbraw/zinc/24/39/48/210243948.db2.gz HFNLFQADWKWMRD-LJQANCHMSA-N 1 0 380.492 2.533 40 0 GFABRO O=C(Cc1ccc2c(c1)CCCC2)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019345689 210242387 /nfs/dbraw/zinc/24/23/87/210242387.db2.gz WASVLMXOIAJXGE-NRFANRHFSA-N 1 0 376.504 2.907 40 0 GFABRO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@H+](Cc4cccs4)C3)[nH]c(=O)c2C1 ZINC000019343446 210240865 /nfs/dbraw/zinc/24/08/65/210240865.db2.gz ALLSOSPSNQLFMS-HNNXBMFYSA-N 1 0 398.532 2.506 40 0 GFABRO O=C(c1ccc(N2CCCCC2)cc1)N1CC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019331913 210240897 /nfs/dbraw/zinc/24/08/97/210240897.db2.gz DUYCTPKEHMLNBR-GOSISDBHSA-N 1 0 391.519 2.742 40 0 GFABRO Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019210862 210230883 /nfs/dbraw/zinc/23/08/83/210230883.db2.gz PVFLDTCQRHDXHJ-ZWKOTPCHSA-N 1 0 394.519 2.946 40 0 GFABRO Cc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cc1 ZINC000019209589 210228760 /nfs/dbraw/zinc/22/87/60/210228760.db2.gz KRHZZUDSAKQNSB-FQEVSTJZSA-N 1 0 394.519 2.751 40 0 GFABRO CC(=O)NCCn1nc([C@H]2CC[N@H+](Cc3cccc(F)c3)C2)c2cccnc21 ZINC000019021822 210224160 /nfs/dbraw/zinc/22/41/60/210224160.db2.gz OTMLXRGAQUSSGA-KRWDZBQOSA-N 1 0 381.455 2.696 40 0 GFABRO O=C(C1CC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014794 210221259 /nfs/dbraw/zinc/22/12/59/210221259.db2.gz MIKYVXCBNWPGCD-LJQANCHMSA-N 1 0 384.524 2.782 40 0 GFABRO CC(=O)NCC1(c2ccccc2)CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000001640527 209335168 /nfs/dbraw/zinc/33/51/68/209335168.db2.gz WSWPNPUMDWOKAR-HXUWFJFHSA-N 1 0 380.488 2.996 40 0 in-man GFABRO CN1CC2(CC[NH+](Cc3ccccn3)CC2)c2nc(C(C)(C)C)ncc2C1=O ZINC000306143436 212055686 /nfs/dbraw/zinc/05/56/86/212055686.db2.gz YCEWLAJOBJCAEW-UHFFFAOYSA-N 1 0 379.508 2.789 40 0 GFABRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCn4c(C(=O)NC5CC5)nnc4[C@H]3C2)cc1 ZINC000306140555 212052277 /nfs/dbraw/zinc/05/22/77/212052277.db2.gz UXELOJHQQSGGEJ-HKUYNNGSSA-N 1 0 379.508 2.913 40 0 GFABRO O=C(NCc1cccnc1)c1ncc2n1C[C@@H]1C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306129121 212046798 /nfs/dbraw/zinc/04/67/98/212046798.db2.gz HVCBCEUSPKROKP-HKUYNNGSSA-N 1 0 391.450 2.576 40 0 GFABRO Cn1nccc1-c1ccc2nnc(C3CC[NH+](Cc4ccsc4)CC3)n2n1 ZINC000306130825 212049048 /nfs/dbraw/zinc/04/90/48/212049048.db2.gz JQIGYGGWDKSQEH-UHFFFAOYSA-N 1 0 379.493 2.966 40 0 GFABRO CNC(=O)c1cnn2c1nccc2C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000257328458 212026276 /nfs/dbraw/zinc/02/62/76/212026276.db2.gz XFSLAMGOCKMPDU-UHFFFAOYSA-N 1 0 385.418 2.747 40 0 GFABRO Cc1nccn1[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1O ZINC000257323989 212026285 /nfs/dbraw/zinc/02/62/85/212026285.db2.gz WMSBXZVRXXOEAH-NJDAHSKKSA-N 1 0 382.508 2.672 40 0 GFABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)c3ccc(=O)[nH]n3)[C@H](Cc3ccccc3)C[C@@]21C ZINC000257308915 212021626 /nfs/dbraw/zinc/02/16/26/212021626.db2.gz TYSMTJSDGIBOSJ-RFWXGWTQSA-N 1 0 394.519 2.860 40 0 GFABRO CSc1cccc(Nc2cc(-c3cccnc3)nc(NCC[NH+](C)C)n2)c1 ZINC000329072082 209162279 /nfs/dbraw/zinc/16/22/79/209162279.db2.gz ZULHHEVMMDRTNB-UHFFFAOYSA-N 1 0 380.521 2.821 40 0 GFABRO C[NH+](C)[C@H]1CC2(CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)OC[C@]1(C)O ZINC000257267683 212013969 /nfs/dbraw/zinc/01/39/69/212013969.db2.gz MIIJSMQWBFJKEO-UNMCSNQZSA-N 1 0 397.519 2.758 40 0 GFABRO Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)C3(C)CC[NH+](C)CC3)C2)cn1 ZINC000257259658 212013361 /nfs/dbraw/zinc/01/33/61/212013361.db2.gz KZJPPHPUWUYKIB-QGZVFWFLSA-N 1 0 397.523 2.871 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2cc(Cl)ccc2F)cc(-c2ccncc2)n1 ZINC000329044863 209158346 /nfs/dbraw/zinc/15/83/46/209158346.db2.gz SYMLNKNQAHRRNI-UHFFFAOYSA-N 1 0 386.862 2.892 40 0 GFABRO C[NH+](C)CCCNc1nc(NCc2ccc(F)c(F)c2)cc(C(F)(F)F)n1 ZINC000329029699 209158328 /nfs/dbraw/zinc/15/83/28/209158328.db2.gz QAHJLMDQGSWNBK-UHFFFAOYSA-N 1 0 389.372 2.593 40 0 GFABRO NC(=O)CCC(=O)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1ccc(Cl)cc1 ZINC000257261659 212012403 /nfs/dbraw/zinc/01/24/03/212012403.db2.gz LIHXCUZSWIIXMA-QZTJIDSGSA-N 1 0 377.916 2.951 40 0 GFABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1)c1cncnc1 ZINC000257239332 212009476 /nfs/dbraw/zinc/00/94/76/212009476.db2.gz HOUOZEQDHRZFJZ-FUDKSRODSA-N 1 0 394.519 2.544 40 0 GFABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1)c1ccon1 ZINC000257221972 212005861 /nfs/dbraw/zinc/00/58/61/212005861.db2.gz DRILYRQYKXLMJR-ONTIZHBOSA-N 1 0 383.492 2.742 40 0 GFABRO CN(C)CC[NH+]1CCC2(C[C@@H](NC(=O)c3cccnc3)c3ccccc32)CC1 ZINC000096241443 211322736 /nfs/dbraw/zinc/32/27/36/211322736.db2.gz QQGTWGPOQFJMKO-OAQYLSRUSA-N 1 0 378.520 2.852 40 0 GFABRO CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(C)o3)CC2)O1 ZINC000096036867 211295877 /nfs/dbraw/zinc/29/58/77/211295877.db2.gz LHORDNFFOGMVDS-SFHVURJKSA-N 1 0 386.496 2.543 40 0 GFABRO CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2CC1CC1 ZINC000096143916 211308794 /nfs/dbraw/zinc/30/87/94/211308794.db2.gz MKDJMGBNBBDDLW-FYYLOGMGSA-N 1 0 377.488 2.950 40 0 GFABRO Cc1oc2c(c1C(=O)N1CCC(c3nnc4n3CC[N@@H+](C)C4)CC1)CCCC2 ZINC000072372073 211103342 /nfs/dbraw/zinc/10/33/42/211103342.db2.gz ABHUUWUNASJQNO-UHFFFAOYSA-N 1 0 383.496 2.524 40 0 GFABRO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373059 211103098 /nfs/dbraw/zinc/10/30/98/211103098.db2.gz HFNYJNOHYKECIP-MSOLQXFVSA-N 1 0 386.540 2.550 40 0 GFABRO Cc1cnc(Nc2cc(C[C@@H]3CCCN(C(=O)C(C)(C)[NH3+])C3)nc(C)n2)s1 ZINC000072382940 211108571 /nfs/dbraw/zinc/10/85/71/211108571.db2.gz YPFNREGDSAPTCX-AWEZNQCLSA-N 1 0 388.541 2.812 40 0 GFABRO C[NH+](C)CCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020040684 210312902 /nfs/dbraw/zinc/31/29/02/210312902.db2.gz YZDCUIGRGQVEQG-UHFFFAOYSA-N 1 0 395.912 2.822 40 0 GFABRO CC[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000019747573 210290369 /nfs/dbraw/zinc/29/03/69/210290369.db2.gz FCGJXTXTYDQQTK-IBGZPJMESA-N 1 0 375.488 2.535 40 0 GFABRO COc1ccc(-c2ccnc3c(C(=O)N[C@@H](C)C[NH+]4CCCC4)cnn32)cc1 ZINC000019719010 210288557 /nfs/dbraw/zinc/28/85/57/210288557.db2.gz YUXACBDEWNVFMQ-HNNXBMFYSA-N 1 0 379.464 2.619 40 0 GFABRO Cc1cccn2c(=O)c(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+](C)C)cnc12 ZINC000019663167 210279278 /nfs/dbraw/zinc/27/92/78/210279278.db2.gz YMSFDXWBFVWRBP-KRWDZBQOSA-N 1 0 384.867 2.689 40 0 GFABRO COc1ccccc1CCC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019590397 210273022 /nfs/dbraw/zinc/27/30/22/210273022.db2.gz FNYWZBSMSKOZTQ-SFHVURJKSA-N 1 0 394.519 2.812 40 0 GFABRO COc1cccc2[nH]c(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@@H+](C)C4)cc21 ZINC000019590542 210271634 /nfs/dbraw/zinc/27/16/34/210271634.db2.gz GADKYYBKGXNWNW-LJQANCHMSA-N 1 0 391.475 2.932 40 0 GFABRO CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096050142 136183395 /nfs/dbraw/zinc/18/33/95/136183395.db2.gz KTNTXKVXEHAHGF-NRFANRHFSA-N 1 0 383.517 2.896 40 0 GFABRO COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000206068078 136202746 /nfs/dbraw/zinc/20/27/46/136202746.db2.gz ZUACPKXRKSJZGE-UHFFFAOYSA-N 1 0 395.912 2.901 40 0 GFABRO O=C(NC[C@@H]1CCCO1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000034684072 570209816 /nfs/dbraw/zinc/20/98/16/570209816.db2.gz MDSGHLNYESINKW-QHCPKHFHSA-N 1 0 393.531 2.913 40 0 GFABRO OCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cccc4ccccc43)C2)cc1 ZINC000585267866 570233526 /nfs/dbraw/zinc/23/35/26/570233526.db2.gz KUAIHNAOMRXFLJ-GMAHTHKFSA-N 1 0 379.456 2.835 40 0 GFABRO Cc1ccc(N2CCC(O)(C[N@@H+]3CCC[C@]4(C)NC(=O)CCC[C@H]34)CC2)cc1 ZINC000585283233 570251180 /nfs/dbraw/zinc/25/11/80/570251180.db2.gz MHNHBDQJCCCEPI-UNMCSNQZSA-N 1 0 385.552 2.850 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(F)c1 ZINC000020801028 570281435 /nfs/dbraw/zinc/28/14/35/570281435.db2.gz GTSWXTBWDXGOKJ-RBUKOAKNSA-N 1 0 395.434 2.590 40 0 GFABRO CN1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 ZINC000002377037 570299337 /nfs/dbraw/zinc/29/93/37/570299337.db2.gz FFXQZPNQCIUTQO-QFIPXVFZSA-N 1 0 395.528 2.848 40 0 GFABRO O[C@H](COCc1ccccc1F)C[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000022030456 570302736 /nfs/dbraw/zinc/30/27/36/570302736.db2.gz SDKCASIKAOPJMZ-FQEVSTJZSA-N 1 0 376.447 2.660 40 0 GFABRO COc1cc(CNCC[NH2+]C[C@H](C)O)ccc1OCc1cccc(Cl)c1 ZINC000022074847 570321147 /nfs/dbraw/zinc/32/11/47/570321147.db2.gz GUJNSHYZJVEAOZ-HNNXBMFYSA-N 1 0 378.900 2.988 40 0 GFABRO C[NH+](C)C[C@H]1[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C2CCN1CC2 ZINC000022591158 570322580 /nfs/dbraw/zinc/32/25/80/570322580.db2.gz PIJASLBJPRDNRA-QNWVGRARSA-N 1 0 386.536 2.632 40 0 GFABRO Cc1ccccc1C[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(C(C)(C)C)n1 ZINC000604382103 570353051 /nfs/dbraw/zinc/35/30/51/570353051.db2.gz DNNZSDGXOAZXGM-XRXFAXGQSA-N 1 0 383.536 2.773 40 0 biogenic,in-vitro GFABRO OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223607181 570474147 /nfs/dbraw/zinc/47/41/47/570474147.db2.gz ALMUQAHYZXNWPE-OALUTQOASA-N 1 0 379.489 2.622 40 0 GFABRO COc1ccc(OC)c(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000225213110 570556593 /nfs/dbraw/zinc/55/65/93/570556593.db2.gz NVENLRGLVLFAAP-UHFFFAOYSA-N 1 0 379.526 2.634 40 0 GFABRO Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]CCc3ccccn3)cc12 ZINC000036740443 570568661 /nfs/dbraw/zinc/56/86/61/570568661.db2.gz OHYQANBXFPKRJA-UHFFFAOYSA-N 1 0 377.423 2.889 40 0 GFABRO O=C1C2=C(CN1CC[NH+]1CCCC1)NC(=O)N[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000012113458 570609311 /nfs/dbraw/zinc/60/93/11/570609311.db2.gz WUKRXURGTHMNNU-MRXNPFEDSA-N 1 0 395.290 2.539 40 0 GFABRO C[NH+](C)[C@@H](CNC(=O)Cn1ccc2ccc(F)cc21)c1ccc2c(c1)OCO2 ZINC000012148650 570617598 /nfs/dbraw/zinc/61/75/98/570617598.db2.gz LVXSBAAKUUQMHD-SFHVURJKSA-N 1 0 383.423 2.928 40 0 GFABRO O=C(Cc1c[nH]c2ccccc12)NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012326160 570643300 /nfs/dbraw/zinc/64/33/00/570643300.db2.gz IXWWGBYWIWHEMP-UHFFFAOYSA-N 1 0 395.478 2.949 40 0 GFABRO COCC[N@H+](C)C[C@H]1CO[C@]2(C1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000247973667 570718754 /nfs/dbraw/zinc/71/87/54/570718754.db2.gz ICOWWPUUQLPLAF-MBSDFSHPSA-N 1 0 397.519 2.824 40 0 GFABRO C[NH+](C)CCCN1CN=C2N[C@@H]([C@H]3CC=CCC3)n3c4ccccc4nc3N2C1 ZINC000009262475 570774792 /nfs/dbraw/zinc/77/47/92/570774792.db2.gz ORVHXKLXMVAFGK-FXAWDEMLSA-N 1 0 393.539 2.839 40 0 GFABRO CO[C@H]1CC[C@H](C(=O)NCc2ccc(-c3cc(C[NH+](C)C)n(C)n3)cc2)CC1 ZINC000257215389 570888187 /nfs/dbraw/zinc/88/81/87/570888187.db2.gz CPXPULQKFXVUBW-KESTWPANSA-N 1 0 384.524 2.970 40 0 GFABRO Cc1cc(C)n2ncc(C[N@@H+]3C[C@@H]4CC[C@@](O)(c5ncccc5C)[C@@H]4C3)c2n1 ZINC000257367379 570914831 /nfs/dbraw/zinc/91/48/31/570914831.db2.gz DWDVNOSIESYJLT-KPLVRAHFSA-N 1 0 377.492 2.779 40 0 GFABRO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccco2)c2ccc(Cl)cc2)CC1 ZINC000019528002 570928343 /nfs/dbraw/zinc/92/83/43/570928343.db2.gz XBJXIWXMCKIULH-SFHVURJKSA-N 1 0 386.887 2.695 40 0 GFABRO Cc1nc(C)c(C[N@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)NC(C)C)CC2)s1 ZINC000585100869 570928530 /nfs/dbraw/zinc/92/85/30/570928530.db2.gz ZSRKEPCQBPPCEP-HXUWFJFHSA-N 1 0 392.569 2.632 40 0 GFABRO Cc1noc(C)c1CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccccc1C)C2 ZINC000585103686 570929164 /nfs/dbraw/zinc/92/91/64/570929164.db2.gz FHORIPGYUACGBS-JOCHJYFZSA-N 1 0 383.492 2.851 40 0 GFABRO Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccccc1C)C2 ZINC000585103690 570929266 /nfs/dbraw/zinc/92/92/66/570929266.db2.gz FHORIPGYUACGBS-QFIPXVFZSA-N 1 0 383.492 2.851 40 0 GFABRO CCCN1CCN(C(=O)C[NH2+]C)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183551 571000492 /nfs/dbraw/zinc/00/04/92/571000492.db2.gz ACGWLKDAMQJIKI-QFIPXVFZSA-N 1 0 393.531 2.813 40 0 GFABRO COc1ccc(Nc2cc(C3CC3)nc(NCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000328955247 571046835 /nfs/dbraw/zinc/04/68/35/571046835.db2.gz AAXHEJBMAAQFHS-UHFFFAOYSA-N 1 0 395.429 2.942 40 0 GFABRO Cc1c(C)n(C2CCCC2)c2ncnc(OC3CC[NH+](CCC(N)=O)CC3)c12 ZINC000019554577 210260977 /nfs/dbraw/zinc/26/09/77/210260977.db2.gz WEZJFKPUVZBWSP-UHFFFAOYSA-N 1 0 385.512 2.882 40 0 GFABRO CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000019533002 210260212 /nfs/dbraw/zinc/26/02/12/210260212.db2.gz UCDSBAZYDBOHJQ-HXUWFJFHSA-N 1 0 380.492 2.817 40 0 GFABRO CCn1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019524537 210257169 /nfs/dbraw/zinc/25/71/69/210257169.db2.gz GZGASSFHLNUCCY-KRWDZBQOSA-N 1 0 384.528 2.665 40 0 GFABRO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C ZINC000019523826 210256921 /nfs/dbraw/zinc/25/69/21/210256921.db2.gz INOLWCATLNCXDC-GOSISDBHSA-N 1 0 398.555 2.973 40 0 GFABRO CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 ZINC000019526584 210256342 /nfs/dbraw/zinc/25/63/42/210256342.db2.gz MABLAPTZUOKPQH-UHFFFAOYSA-N 1 0 388.537 2.670 40 0 GFABRO COc1cc2c(cc1O)CC[N@H+](Cc1cn(CC(N)=O)c3ccccc13)[C@H]2C ZINC000019498328 210251875 /nfs/dbraw/zinc/25/18/75/210251875.db2.gz AECPPGWFNDDDJC-AWEZNQCLSA-N 1 0 379.460 2.960 40 0 GFABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409057016 231151864 /nfs/dbraw/zinc/15/18/64/231151864.db2.gz GDQDXBILACAHPI-MKTJXXHISA-O 1 0 388.422 2.842 40 0 GFABRO O=C(C[NH+]1CCCC1)N1C[C@H](c2csnn2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000019336295 210242148 /nfs/dbraw/zinc/24/21/48/210242148.db2.gz MRXJLMPWSPDXQL-CVEARBPZSA-N 1 0 376.913 2.997 40 0 GFABRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1 ZINC000019211496 210230408 /nfs/dbraw/zinc/23/04/08/210230408.db2.gz VLWBYHYXKZYGKG-LJQANCHMSA-N 1 0 386.521 2.689 40 0 GFABRO COc1cccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019079287 210223166 /nfs/dbraw/zinc/22/31/66/210223166.db2.gz RLWPNOPZVHVDIG-FOIQADDNSA-N 1 0 396.491 2.652 40 0 GFABRO O=C(C1CC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014791 210221347 /nfs/dbraw/zinc/22/13/47/210221347.db2.gz MIKYVXCBNWPGCD-IBGZPJMESA-N 1 0 384.524 2.782 40 0 GFABRO CN(Cc1ccccc1)C(=O)[C@H](NC(=S)N[C@@H]1CCCC[C@H]1[NH3+])C(C)(C)C ZINC000504354469 529998478 /nfs/dbraw/zinc/99/84/78/529998478.db2.gz CNEVMNSDRMDKFO-KURKYZTESA-N 1 0 390.597 2.794 40 0 GFABRO COc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)cc1 ZINC000306142032 212055664 /nfs/dbraw/zinc/05/56/64/212055664.db2.gz WNKDGLRNSUPCJZ-FGZHOGPDSA-N 1 0 388.471 2.973 40 0 GFABRO COc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)cc1 ZINC000306142033 212055359 /nfs/dbraw/zinc/05/53/59/212055359.db2.gz WNKDGLRNSUPCJZ-VXKWHMMOSA-N 1 0 388.471 2.973 40 0 GFABRO O=c1c(-c2ccccc2)nnc2n1CC[C@]21CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000306143045 212054589 /nfs/dbraw/zinc/05/45/89/212054589.db2.gz XRQDSHJYXQDXNT-QFIPXVFZSA-N 1 0 376.435 2.992 40 0 GFABRO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@H]1C[N@@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306140046 212052191 /nfs/dbraw/zinc/05/21/91/212052191.db2.gz UIFQRKLAPBZBPY-PBHICJAKSA-N 1 0 398.532 2.597 40 0 GFABRO CN1c2ccccc2C2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S1(=O)=O ZINC000306138731 212052202 /nfs/dbraw/zinc/05/22/02/212052202.db2.gz SFXNONWGJJRXBU-UHFFFAOYSA-N 1 0 386.473 2.686 40 0 GFABRO Cc1nc(CN2C[C@@H]3C[N@H+](Cc4cc(C)cc(C)c4)C[C@@H]3S2(=O)=O)cs1 ZINC000306125346 212045522 /nfs/dbraw/zinc/04/55/22/212045522.db2.gz CNAAZWBNQAPSDB-HKUYNNGSSA-N 1 0 391.562 2.714 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306126739 212045303 /nfs/dbraw/zinc/04/53/03/212045303.db2.gz FDTMVAHGIMXNTE-JKSUJKDBSA-N 1 0 379.489 2.896 40 0 GFABRO Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCC[NH+]2Cc3ccccc3C2)[C@H]1O ZINC000257337673 212027332 /nfs/dbraw/zinc/02/73/32/212027332.db2.gz YTWTXSJOJFHXHL-KCZVDYSFSA-N 1 0 382.508 2.558 40 0 GFABRO CC(=O)Nc1nc(C)c(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@H+]3C)s1 ZINC000257280776 212016298 /nfs/dbraw/zinc/01/62/98/212016298.db2.gz OMKFNFCKZDJJFY-KZNAEPCWSA-N 1 0 398.532 2.970 40 0 GFABRO Cc1cccc(CNc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)c1 ZINC000329027312 209158342 /nfs/dbraw/zinc/15/83/42/209158342.db2.gz PRVAEYUZWMJDIU-UHFFFAOYSA-N 1 0 376.508 2.667 40 0 GFABRO COc1cc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)cc(OC)c1 ZINC000329050858 209159268 /nfs/dbraw/zinc/15/92/68/209159268.db2.gz UVILVGHMROYYQA-UHFFFAOYSA-N 1 0 393.491 2.722 40 0 GFABRO C[NH+](C)CCNc1nccc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000329021368 209157331 /nfs/dbraw/zinc/15/73/31/209157331.db2.gz OGSCWMGWSBAUMV-UHFFFAOYSA-N 1 0 381.402 2.911 40 0 GFABRO C[NH+](C)CCNc1nc(NCc2ccccc2Br)cc(C2CC2)n1 ZINC000329001453 209155416 /nfs/dbraw/zinc/15/54/16/209155416.db2.gz KEKPJTWYZQZSNR-UHFFFAOYSA-N 1 0 390.329 2.546 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccn2)n1 ZINC000328980872 209154543 /nfs/dbraw/zinc/15/45/43/209154543.db2.gz GQUPBTHTSVGHPK-UHFFFAOYSA-N 1 0 398.898 2.849 40 0 GFABRO CC(C)C[N@@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)Nc4ccccc4)CC3)[C@@H]2C1 ZINC000096262223 211326151 /nfs/dbraw/zinc/32/61/51/211326151.db2.gz IHBZMGYPHCHUPK-RBUKOAKNSA-N 1 0 384.524 2.729 40 0 GFABRO Cn1nc(C(=O)N2CCC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c2ccccc21 ZINC000096228372 211321410 /nfs/dbraw/zinc/32/14/10/211321410.db2.gz ZESGVEDIMLBCLL-VGSWGCGISA-N 1 0 382.508 2.680 40 0 GFABRO O=S(=O)(c1cccc(F)c1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCOCC1)C2 ZINC000096215458 211319937 /nfs/dbraw/zinc/31/99/37/211319937.db2.gz HTVXCKSYSNUKKZ-FQEVSTJZSA-N 1 0 396.528 2.729 40 0 GFABRO COc1ccc(C[NH+]2CCC3(C[C@@H](NC(=O)c4ccccn4)CO3)CC2)cc1 ZINC000096221074 211320037 /nfs/dbraw/zinc/32/00/37/211320037.db2.gz SDLWMGBLIGFFLY-GOSISDBHSA-N 1 0 381.476 2.644 40 0 GFABRO Cc1nc(CN2C(=O)COC3(CC[NH+](Cc4ccco4)CC3)[C@H]2C)cs1 ZINC000096062272 211299119 /nfs/dbraw/zinc/29/91/19/211299119.db2.gz NYMONVIKAMNINQ-CQSZACIVSA-N 1 0 375.494 2.827 40 0 GFABRO CC(=O)N1CC[C@H](c2nn(CC[NH2+]Cc3cccc(Cl)c3)c3nccnc23)C1 ZINC000072391654 211110977 /nfs/dbraw/zinc/11/09/77/211110977.db2.gz ZHHGFVGDDQQTIR-INIZCTEOSA-N 1 0 398.898 2.605 40 0 GFABRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+](C)C)c(Cl)c2)cc1 ZINC000020456537 210337984 /nfs/dbraw/zinc/33/79/84/210337984.db2.gz HOFQLFNGGMNSAU-UHFFFAOYSA-N 1 0 395.912 2.741 40 0 GFABRO COc1ccc(CCC(=O)N(C)Cc2cc(N(C)C)nc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000019760347 210296171 /nfs/dbraw/zinc/29/61/71/210296171.db2.gz GNAWNPJTYFOARU-IBGZPJMESA-N 1 0 397.523 2.567 40 0 GFABRO Cc1cc(CCCC(=O)N2CCC(c3nnc4n3CC[NH2+]CC4)CC2)ccc1F ZINC000019709425 210284259 /nfs/dbraw/zinc/28/42/59/210284259.db2.gz FRVKFPBQVIVKGK-UHFFFAOYSA-N 1 0 399.514 2.600 40 0 GFABRO COCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)no1 ZINC000019593538 210275105 /nfs/dbraw/zinc/27/51/05/210275105.db2.gz OFODWZCGLXLPJN-GOSISDBHSA-N 1 0 394.475 2.979 40 0 GFABRO CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](CC2CC2)CCO1 ZINC000019580863 210271185 /nfs/dbraw/zinc/27/11/85/210271185.db2.gz SQISVCFNYPDJMM-HSZRJFAPSA-N 1 0 379.504 2.860 40 0 GFABRO C[NH+](C)CCn1nc([C@@H]2CCN(C(=O)CC3CCCCC3)C2)c2nccnc21 ZINC000019583051 210269723 /nfs/dbraw/zinc/26/97/23/210269723.db2.gz JKEPTJROHNSURG-QGZVFWFLSA-N 1 0 384.528 2.674 40 0 GFABRO C[NH+](C)CCn1nc([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019583218 210269447 /nfs/dbraw/zinc/26/94/47/210269447.db2.gz KAEBQJXSWUAAHR-QGZVFWFLSA-N 1 0 395.482 2.691 40 0 GFABRO COC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCCCCC2)ccc1Cl ZINC000222536818 553055750 /nfs/dbraw/zinc/05/57/50/553055750.db2.gz DUCWLIWVAVDGBW-UHFFFAOYSA-N 1 0 388.917 2.671 40 0 GFABRO O=C1[C@@H]2C[C@@H](C[N@@H+]2C2CCOCC2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111836 560061075 /nfs/dbraw/zinc/06/10/75/560061075.db2.gz XSHCBNNWVLBFLI-ICSRJNTNSA-N 1 0 379.460 2.629 40 0 biogenic,in-vitro GFABRO CC[N@H+](C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O)C1CCCCC1 ZINC000585285153 570254230 /nfs/dbraw/zinc/25/42/30/570254230.db2.gz OINPTSXQBRITRK-PZJWPPBQSA-N 1 0 394.943 2.933 40 0 GFABRO CC[NH+](CC)CCCN(C(=S)Nc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000575419953 570307474 /nfs/dbraw/zinc/30/74/74/570307474.db2.gz BMVFTAQAZQXLHP-SFHVURJKSA-N 1 0 397.610 2.913 40 0 GFABRO O=S(=O)(N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3Cl)CC2)C1)C1CC1 ZINC000108526105 570313008 /nfs/dbraw/zinc/31/30/08/570313008.db2.gz XUZVOJLNGQCMJF-MRXNPFEDSA-N 1 0 398.956 2.935 40 0 GFABRO Cc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1)[C@@H](C[NH+](C)C)CO2 ZINC000012406655 570653970 /nfs/dbraw/zinc/65/39/70/570653970.db2.gz JLTNICRPKMLUAX-KRWDZBQOSA-N 1 0 378.469 2.648 40 0 GFABRO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)cc(Cl)c1OCC(N)=O ZINC000007538425 570760430 /nfs/dbraw/zinc/76/04/30/570760430.db2.gz BNFWOOGNRNPXDK-UHFFFAOYSA-N 1 0 378.856 2.901 40 0 GFABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218480761 570903448 /nfs/dbraw/zinc/90/34/48/570903448.db2.gz ABQNVLMROCNAHX-IRFCIJBXSA-N 1 0 387.501 2.751 40 0 GFABRO CCN1CCN(C(=O)C[NH2+]C)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183600 571000616 /nfs/dbraw/zinc/00/06/16/571000616.db2.gz LXKNURZIWQQPRV-OAQYLSRUSA-N 1 0 393.531 2.731 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000328968902 571048033 /nfs/dbraw/zinc/04/80/33/571048033.db2.gz DBDVCMXGJQTKQW-UHFFFAOYSA-N 1 0 386.862 2.892 40 0 GFABRO Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c(C)c1C ZINC000019556174 210262120 /nfs/dbraw/zinc/26/21/20/210262120.db2.gz RKZNSZRKKUNESD-KSSFIOAISA-N 1 0 396.539 2.601 40 0 GFABRO Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c(C)c1C ZINC000019556171 210260501 /nfs/dbraw/zinc/26/05/01/210260501.db2.gz RKZNSZRKKUNESD-RDTXWAMCSA-N 1 0 396.539 2.601 40 0 GFABRO CC(C)Oc1ccc(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)cc1 ZINC000019450670 210248991 /nfs/dbraw/zinc/24/89/91/210248991.db2.gz YRDWOOFUCBRSKK-UHFFFAOYSA-N 1 0 377.448 2.572 40 0 GFABRO O=C(C1CC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343590 210242553 /nfs/dbraw/zinc/24/25/53/210242553.db2.gz URYFFRUGANFMJG-HNNXBMFYSA-N 1 0 398.532 2.506 40 0 GFABRO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccs4)C3)[nH]c(=O)c2C1 ZINC000019343443 210241506 /nfs/dbraw/zinc/24/15/06/210241506.db2.gz ALLSOSPSNQLFMS-OAHLLOKOSA-N 1 0 398.532 2.506 40 0 GFABRO COc1cc(C[N@@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1O ZINC000019129185 210227806 /nfs/dbraw/zinc/22/78/06/210227806.db2.gz IBHKOUIWDFMFLH-HNNXBMFYSA-N 1 0 397.479 2.722 40 0 GFABRO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)[nH]c(=O)c2C1 ZINC000019014782 210222453 /nfs/dbraw/zinc/22/24/53/210222453.db2.gz UGFWGVJGEUIZLI-GOSISDBHSA-N 1 0 398.551 2.824 40 0 GFABRO CN(C)C(=O)c1cc(C(=O)N(C)C)c[n+](Cc2c(Cl)cccc2Cl)c1 ZINC000001723654 209336847 /nfs/dbraw/zinc/33/68/47/209336847.db2.gz RZFINNJTILCOID-UHFFFAOYSA-N 1 0 381.283 2.733 40 0 GFABRO Cc1cccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)n1 ZINC000306138727 212052529 /nfs/dbraw/zinc/05/25/29/212052529.db2.gz SFUASXMBNIUGOK-SJORKVTESA-N 1 0 388.475 2.538 40 0 GFABRO Cc1cccc(C[NH+]2CCC3(CCc4nnc(C(=O)NC(C)C)n4C3)CC2)c1 ZINC000306126208 212045675 /nfs/dbraw/zinc/04/56/75/212045675.db2.gz DPPMHWJIKQLJKP-UHFFFAOYSA-N 1 0 381.524 2.953 40 0 GFABRO O[C@@H](COCCOc1ccc(F)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000041690273 212043199 /nfs/dbraw/zinc/04/31/99/212043199.db2.gz RSIYMMMXSLSRFV-HXUWFJFHSA-N 1 0 392.446 2.543 40 0 GFABRO CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O ZINC000257282399 212015876 /nfs/dbraw/zinc/01/58/76/212015876.db2.gz OTPFKINUGKQYQW-NJDAHSKKSA-N 1 0 382.508 2.706 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2c(F)cccc2F)cc(C(F)(F)F)n1 ZINC000329066603 209158954 /nfs/dbraw/zinc/15/89/54/209158954.db2.gz YBZBVEZGNQJWRJ-UHFFFAOYSA-N 1 0 375.345 2.725 40 0 GFABRO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@@H](CO)C(C)C)[nH+]c(C)n1)C2 ZINC000329060277 209159671 /nfs/dbraw/zinc/15/96/71/209159671.db2.gz WKSGWSGFLHHVGB-SFHVURJKSA-N 1 0 384.480 2.563 40 0 GFABRO CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)C[NH+]3CCCCC3)CCO2)n1 ZINC000257200197 212001609 /nfs/dbraw/zinc/00/16/09/212001609.db2.gz ACJGSFXDRBJHDY-FQEVSTJZSA-N 1 0 398.507 2.993 40 0 GFABRO COc1cc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)cc(OC)c1 ZINC000225213174 211888207 /nfs/dbraw/zinc/88/82/07/211888207.db2.gz RDQGFACGKLKKQT-UHFFFAOYSA-N 1 0 379.526 2.634 40 0 GFABRO Cc1nc2cc(Nc3cc(C(F)(F)F)nc(NCC[NH+](C)C)n3)ccc2s1 ZINC000328969977 209153978 /nfs/dbraw/zinc/15/39/78/209153978.db2.gz DHSJHJKHVTZVOU-UHFFFAOYSA-N 1 0 396.442 2.974 40 0 GFABRO Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(F)cc4)N4CCC[C@@H]34)C2O)cc1 ZINC000101347615 211398332 /nfs/dbraw/zinc/39/83/32/211398332.db2.gz QGOXTTHFVIUWDE-NMLBUPMWSA-N 1 0 392.430 2.969 40 0 GFABRO O=C(c1cscn1)N1C[C@H]2CN(C3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC000096244900 211324251 /nfs/dbraw/zinc/32/42/51/211324251.db2.gz DZGUPYCGOPTRNK-PXNSSMCTSA-N 1 0 382.533 2.564 40 0 GFABRO CCN1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1ccncc1)CC2 ZINC000096037023 211296336 /nfs/dbraw/zinc/29/63/36/211296336.db2.gz YFVLNTBCRTZMPV-UHFFFAOYSA-N 1 0 391.523 2.505 40 0 GFABRO CN(Cc1ccccn1)C(=O)[C@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2CC1CC1 ZINC000096143918 211307862 /nfs/dbraw/zinc/30/78/62/211307862.db2.gz MKDJMGBNBBDDLW-GGAORHGYSA-N 1 0 377.488 2.950 40 0 GFABRO C[N@@H+]1CCn2c(nnc2[C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000072374016 211102845 /nfs/dbraw/zinc/10/28/45/211102845.db2.gz ZITRCMCNFHMGGP-SFHVURJKSA-N 1 0 378.480 2.501 40 0 GFABRO C[NH+](C)CCCn1ccc2nc3ncnn3c(-c3ccccc3Cl)c2c1=O ZINC000040398061 210786481 /nfs/dbraw/zinc/78/64/81/210786481.db2.gz KZHMEQCLIHGTCK-UHFFFAOYSA-N 1 0 382.855 2.711 40 0 GFABRO COCc1cc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)ccc1OC(C)C ZINC000019711286 210286336 /nfs/dbraw/zinc/28/63/36/210286336.db2.gz QCFUAXHOTCJRMY-UHFFFAOYSA-N 1 0 399.539 2.695 40 0 GFABRO CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(CN(C)C(=O)CCc2ccccc2)n1 ZINC000019710010 210285371 /nfs/dbraw/zinc/28/53/71/210285371.db2.gz AQYPXIIIIZRVPU-SFHVURJKSA-N 1 0 381.524 2.601 40 0 GFABRO Cc1nc([C@@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)ncc1C(=O)N(C)C ZINC000019763116 210295987 /nfs/dbraw/zinc/29/59/87/210295987.db2.gz FUJFFGLGPTXASW-MRXNPFEDSA-N 1 0 386.471 2.884 40 0 GFABRO Cc1ccc(C)c([C@H]2CCCN2C(=O)C2CN(C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000019747512 210292124 /nfs/dbraw/zinc/29/21/24/210292124.db2.gz NFQKMWINVAOFOS-OAQYLSRUSA-N 1 0 383.536 2.767 40 0 GFABRO CC(C)[N@H+]1Cc2cn(C)nc2[C@@H](C(=O)NCCc2c[nH]c3ccc(F)cc23)C1 ZINC000019695688 210280551 /nfs/dbraw/zinc/28/05/51/210280551.db2.gz PDRRSPVZXUAUHK-SFHVURJKSA-N 1 0 383.471 2.707 40 0 GFABRO Cc1oc2c(c1C(=O)N1CCc3nc([C@H]4CCC[NH2+]C4)ncc3C1)CCCC2 ZINC000019581289 210271130 /nfs/dbraw/zinc/27/11/30/210271130.db2.gz FCIXVGODIDTUJY-HNNXBMFYSA-N 1 0 380.492 2.922 40 0 GFABRO COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019590295 210273311 /nfs/dbraw/zinc/27/33/11/210273311.db2.gz IPQAPFWTLWADSL-FQEVSTJZSA-N 1 0 380.492 2.769 40 0 GFABRO COc1ccc(OC)c(C(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c1 ZINC000019590688 210272178 /nfs/dbraw/zinc/27/21/78/210272178.db2.gz JZWAORRFHRBBQM-UHFFFAOYSA-N 1 0 396.491 2.502 40 0 GFABRO COc1ccc(CC(=O)N2CCc3nc(C4CC[NH+](C)CC4)ncc3C2)cc1F ZINC000019588300 210272022 /nfs/dbraw/zinc/27/20/22/210272022.db2.gz TYWSGTVDLRRNBB-UHFFFAOYSA-N 1 0 398.482 2.561 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 ZINC000096050256 136183427 /nfs/dbraw/zinc/18/34/27/136183427.db2.gz OJXLQLMMUMNIBL-JOCHJYFZSA-N 1 0 383.467 2.757 40 0 GFABRO COC(=O)c1ccccc1NC(=S)N1CC[NH+](C2CCSCC2)CC1 ZINC000225217641 553058939 /nfs/dbraw/zinc/05/89/39/553058939.db2.gz LJMZNWNWANDWGC-UHFFFAOYSA-N 1 0 379.551 2.683 40 0 GFABRO COc1ccc2nc3n(c2c1)[C@@H](C[NH2+]Cc1nc2ccccc2n1C)COC3 ZINC000096112638 560060640 /nfs/dbraw/zinc/06/06/40/560060640.db2.gz JPHCTJVALBELBL-AWEZNQCLSA-N 1 0 377.448 2.793 40 0 biogenic,in-vitro GFABRO Cn1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3cncnc3N)no2)c2ccccc21 ZINC000035426059 560080621 /nfs/dbraw/zinc/08/06/21/560080621.db2.gz MJMCYWYSCMAEQH-KRWDZBQOSA-N 1 0 375.436 2.938 40 0 biogenic,in-vitro GFABRO CC(C)NC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN(C)c2ccccc2)on1 ZINC000012482659 560212171 /nfs/dbraw/zinc/21/21/71/560212171.db2.gz GEOAMGAEEQPVEZ-ROUUACIJSA-N 1 0 384.524 2.994 40 0 biogenic,in-vitro GFABRO COCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCc3ccccc3C2)no1 ZINC000015673435 560230609 /nfs/dbraw/zinc/23/06/09/560230609.db2.gz AFDLROFNNXTJAU-HKUYNNGSSA-N 1 0 383.492 2.564 40 0 biogenic,in-vitro GFABRO COCCOc1cc(C[N@H+](C)C[C@@H](O)COC2CCCCC2)ccc1OC ZINC000585262506 570230631 /nfs/dbraw/zinc/23/06/31/570230631.db2.gz HJBIKJFSRFNXRK-GOSISDBHSA-N 1 0 381.513 2.862 40 0 GFABRO CCOCCOc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000585269847 570238761 /nfs/dbraw/zinc/23/87/61/570238761.db2.gz MCOBDRHABVJJHY-LJQANCHMSA-N 1 0 389.492 2.982 40 0 GFABRO Oc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)cc1 ZINC000585286020 570255757 /nfs/dbraw/zinc/25/57/57/570255757.db2.gz GURXIRGLQVJJOP-OALUTQOASA-N 1 0 381.831 2.561 40 0 GFABRO CCCCN1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O ZINC000103087975 570294325 /nfs/dbraw/zinc/29/43/25/570294325.db2.gz FVKQFELKGIGCNI-UIVXKWKOSA-N 1 0 389.883 2.517 40 0 GFABRO CC[NH+](CC)CCCN(C(=S)Nc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575419952 570307419 /nfs/dbraw/zinc/30/74/19/570307419.db2.gz BMVFTAQAZQXLHP-GOSISDBHSA-N 1 0 397.610 2.913 40 0 GFABRO Cc1ccc(F)cc1C[NH+]1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108531560 570313093 /nfs/dbraw/zinc/31/30/93/570313093.db2.gz PTSFKHLYTOSBPR-SFHVURJKSA-N 1 0 396.528 2.730 40 0 GFABRO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2ccc(F)c(F)c2)C(=O)N1)Nc1ccccc1 ZINC000022607386 570322853 /nfs/dbraw/zinc/32/28/53/570322853.db2.gz FSEDCOMRMBTFFL-AWEZNQCLSA-N 1 0 386.362 2.625 40 0 GFABRO COc1cc2c(cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C)C1)CCCC2 ZINC000223250786 570453456 /nfs/dbraw/zinc/45/34/56/570453456.db2.gz XRPPJKPNDFOLHY-MRXNPFEDSA-N 1 0 380.554 2.974 40 0 GFABRO Cc1cc2oc(=O)cc(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2cc1O ZINC000028571618 570461705 /nfs/dbraw/zinc/46/17/05/570461705.db2.gz ROVPUTKHWZSOSC-GOEBONIOSA-N 1 0 378.428 2.588 40 0 GFABRO Cn1ccnc1COc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2)cc1 ZINC000257243685 570488229 /nfs/dbraw/zinc/48/82/29/570488229.db2.gz IICXXMHWJUPQTL-IBGZPJMESA-N 1 0 381.476 2.871 40 0 GFABRO C[N@@H+](Cc1ccc(OCCOCCO)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257294128 570488761 /nfs/dbraw/zinc/48/87/61/570488761.db2.gz QSQQVXPOCYTQFO-NRFANRHFSA-N 1 0 398.503 2.522 40 0 GFABRO O=C(NC[C@H]1COc2ccccc2O1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000225270229 570561194 /nfs/dbraw/zinc/56/11/94/570561194.db2.gz OIXYPIICSNIHBB-IBGZPJMESA-N 1 0 384.451 2.994 40 0 GFABRO Cc1nc2nc3ccn(CC[NH+](C)C)c(=O)c3c(-c3ccccc3Cl)n2n1 ZINC000040398388 570602076 /nfs/dbraw/zinc/60/20/76/570602076.db2.gz FTZOMMGZJUQOEA-UHFFFAOYSA-N 1 0 382.855 2.630 40 0 GFABRO COc1cccc(CNC(=O)C[NH+]2CCC(c3ccc4c(c3)OCO4)CC2)c1 ZINC000012113993 570609516 /nfs/dbraw/zinc/60/95/16/570609516.db2.gz LXHOBEXNKAIOJS-UHFFFAOYSA-N 1 0 382.460 2.920 40 0 GFABRO CC[NH+](CC)CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=S)NC ZINC000004162025 570620626 /nfs/dbraw/zinc/62/06/26/570620626.db2.gz UYHGOSJNIVKUOR-UHFFFAOYSA-N 1 0 390.553 2.575 40 0 GFABRO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 ZINC000072341142 570880901 /nfs/dbraw/zinc/88/09/01/570880901.db2.gz FVTYKMBURSYQQQ-FOIQADDNSA-N 1 0 393.491 2.773 40 0 GFABRO COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)C1(F)CCC1)CC2 ZINC000585103746 570929091 /nfs/dbraw/zinc/92/90/91/570929091.db2.gz OAVOYDLAPKLRLV-SFHVURJKSA-N 1 0 375.488 2.803 40 0 GFABRO COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)C1CC(F)C1)CC2 ZINC000585103480 570932032 /nfs/dbraw/zinc/93/20/32/570932032.db2.gz GVNLIOTYWKNFAY-CTWPCTMYSA-N 1 0 375.488 2.659 40 0 GFABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(O)cc1)CC2 ZINC000585103411 570932087 /nfs/dbraw/zinc/93/20/87/570932087.db2.gz GEYSRUSFIHHMBS-NRFANRHFSA-N 1 0 395.503 2.931 40 0 GFABRO COc1cc(C)c(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)cc1OC ZINC000019567121 210266273 /nfs/dbraw/zinc/26/62/73/210266273.db2.gz AHYOGYMUQMHPNI-FDFHNCONSA-N 1 0 396.531 2.874 40 0 GFABRO C=Cn1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C ZINC000019554354 210262203 /nfs/dbraw/zinc/26/22/03/210262203.db2.gz VPAHGOQKBANHBD-QGZVFWFLSA-N 1 0 382.512 2.745 40 0 GFABRO Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c(C)c1C ZINC000019556795 210261989 /nfs/dbraw/zinc/26/19/89/210261989.db2.gz OQLDYGGEGQEGRY-VLIAUNLRSA-N 1 0 396.539 2.586 40 0 GFABRO Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c(C)c1C ZINC000019556163 210261807 /nfs/dbraw/zinc/26/18/07/210261807.db2.gz DZQMUBHFEAZSIZ-ORAYPTAESA-N 1 0 382.512 2.559 40 0 GFABRO COc1ccc(OC)c(C[N@@H+]2CC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)c1 ZINC000019551439 210260693 /nfs/dbraw/zinc/26/06/93/210260693.db2.gz VSDPLSOZOUQJDT-OAHLLOKOSA-N 1 0 392.459 2.839 40 0 GFABRO CCOc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)cc1OC ZINC000019533930 210258666 /nfs/dbraw/zinc/25/86/66/210258666.db2.gz RREZKVXKSNYMBL-FDFHNCONSA-N 1 0 396.531 2.956 40 0 GFABRO CCOc1ncc(C2(O)CC[NH+](Cc3ccc(OC)cc3)CC2)c(OCC)n1 ZINC000019531729 210258272 /nfs/dbraw/zinc/25/82/72/210258272.db2.gz PPVNNGXDSVZQKB-UHFFFAOYSA-N 1 0 387.480 2.766 40 0 GFABRO CCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 ZINC000019523391 210257149 /nfs/dbraw/zinc/25/71/49/210257149.db2.gz LUHPXIGUFGJWRD-MRXNPFEDSA-N 1 0 376.464 2.564 40 0 GFABRO CC1CCN(c2ncc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)cn2)CC1 ZINC000019497086 210253226 /nfs/dbraw/zinc/25/32/26/210253226.db2.gz BXFCOHOVSWVDKN-UHFFFAOYSA-N 1 0 394.523 2.502 40 0 GFABRO C[C@H]1CCc2onc(C(=O)N3CCC[C@H](c4ncc5c(n4)CC[N@@H+](C)C5)C3)c2C1 ZINC000019497122 210252853 /nfs/dbraw/zinc/25/28/53/210252853.db2.gz WTRUZKVVUMXTPP-GJZGRUSLSA-N 1 0 395.507 2.597 40 0 GFABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019499434 210252317 /nfs/dbraw/zinc/25/23/17/210252317.db2.gz BSXALHGRFBSHAG-VQTJNVASSA-N 1 0 396.491 2.652 40 0 GFABRO CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019499435 210252176 /nfs/dbraw/zinc/25/21/76/210252176.db2.gz BSXALHGRFBSHAG-PMACEKPBSA-N 1 0 396.491 2.652 40 0 GFABRO CC(C)[N@H+]1CCc2nc3cc(C(=O)N4CCC[C@@H](C)C4)ccc3c(=O)n2CC1 ZINC000019496476 210252295 /nfs/dbraw/zinc/25/22/95/210252295.db2.gz SGOVPTADLNHBAA-MRXNPFEDSA-N 1 0 382.508 2.535 40 0 GFABRO O=C(C1CC[NH+](CCc2ccccn2)CC1)N1CCc2ncc(Cl)cc2C1 ZINC000019401337 210249543 /nfs/dbraw/zinc/24/95/43/210249543.db2.gz XSWQDQXYBHRIDM-UHFFFAOYSA-N 1 0 384.911 2.969 40 0 GFABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1)c1ccccn1 ZINC000019400510 210247150 /nfs/dbraw/zinc/24/71/50/210247150.db2.gz KURHUPKLZRHODK-BBTUJRGHSA-N 1 0 380.492 2.696 40 0 GFABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)c3csc4c3CCCC4)C2)c2cccnc21 ZINC000019346706 210244479 /nfs/dbraw/zinc/24/44/79/210244479.db2.gz KXEFCBKDNBQFKY-AWEZNQCLSA-N 1 0 395.532 2.960 40 0 GFABRO CC(=O)Nc1ccc([C@@H]2C[N@H+](Cc3cccc(C)n3)C[C@]23CCCC(=O)N3)cc1 ZINC000019236334 210234305 /nfs/dbraw/zinc/23/43/05/210234305.db2.gz JRFDFXOCCZHNJF-JTHBVZDNSA-N 1 0 392.503 2.987 40 0 GFABRO COc1ccc(C[NH2+]CCn2nc([C@@H]3CCN(C(C)=O)C3)c3cccnc32)cc1 ZINC000019016574 210221493 /nfs/dbraw/zinc/22/14/93/210221493.db2.gz BGGXWPOLHRNFLL-GOSISDBHSA-N 1 0 393.491 2.566 40 0 GFABRO Cn1cc(-c2ccc3nnc(C4CC[NH+](Cc5cccs5)CC4)n3n2)cn1 ZINC000306137960 212052764 /nfs/dbraw/zinc/05/27/64/212052764.db2.gz RLCSMBIVBKBNOC-UHFFFAOYSA-N 1 0 379.493 2.966 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccccc3F)C[C@H]1C2 ZINC000306134748 212050517 /nfs/dbraw/zinc/05/05/17/212050517.db2.gz NXBRFGVAZMRDIU-SJORKVTESA-N 1 0 391.450 2.974 40 0 GFABRO O=C(NCc1cccnc1)c1ncc2n1C[C@H]1C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306129123 212047751 /nfs/dbraw/zinc/04/77/51/212047751.db2.gz HVCBCEUSPKROKP-MJGOQNOKSA-N 1 0 391.450 2.576 40 0 GFABRO Cc1ccc(-c2nnc3n(c2=O)CCC32CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000306125119 212044717 /nfs/dbraw/zinc/04/47/17/212044717.db2.gz CHSBPUARYLWFGB-UHFFFAOYSA-N 1 0 387.487 2.946 40 0 GFABRO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CC[N@H+](Cc3ccnn3C)C2)cc1 ZINC000257327648 212026738 /nfs/dbraw/zinc/02/67/38/212026738.db2.gz XCESXKJUMPDSNW-QGZVFWFLSA-N 1 0 392.507 2.941 40 0 GFABRO CN(C)c1ccc(CCNC(=O)c2ccccc2-n2cc(C[NH+](C)C)cn2)cc1 ZINC000257298012 212019793 /nfs/dbraw/zinc/01/97/93/212019793.db2.gz RJTAHKJPRAGTBJ-UHFFFAOYSA-N 1 0 391.519 2.972 40 0 GFABRO CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CC[NH+]3CCCC3)CCO2)n1 ZINC000257290601 212017869 /nfs/dbraw/zinc/01/78/69/212017869.db2.gz QDNVFUDVZSHOAE-HXUWFJFHSA-N 1 0 398.507 2.993 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccncc2)n1 ZINC000328988365 209155788 /nfs/dbraw/zinc/15/57/88/209155788.db2.gz IGHACFXWKANJST-UHFFFAOYSA-N 1 0 398.898 2.849 40 0 GFABRO COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)cc1 ZINC000100608569 211389589 /nfs/dbraw/zinc/38/95/89/211389589.db2.gz NMGOVUSWQPVCMX-WTGUMLROSA-N 1 0 390.439 2.530 40 0 GFABRO Cc1nc(-c2cc(C(=O)NCC[NH+](C)C)c3ccccn23)cn1-c1nccs1 ZINC000096266838 211327729 /nfs/dbraw/zinc/32/77/29/211327729.db2.gz SXGBNDGXYGJHLN-UHFFFAOYSA-N 1 0 394.504 2.848 40 0 GFABRO COc1cccc(C[N@H+]2C[C@H]3[C@H](CC[C@@]34N=C(c3ccccc3)NC4=O)C2)c1 ZINC000096087558 211300269 /nfs/dbraw/zinc/30/02/69/211300269.db2.gz JCPOBUVKRPULRH-QMHWCDLVSA-N 1 0 375.472 2.852 40 0 GFABRO Cc1ccc(C[NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)o1 ZINC000096037131 211297177 /nfs/dbraw/zinc/29/71/77/211297177.db2.gz SSYWIKSKACJFQZ-UHFFFAOYSA-N 1 0 390.505 2.883 40 0 GFABRO O=S1(=O)NCC2(CC[NH+](CCc3ccccc3)CC2)COc2ccccc21 ZINC000096145084 211307995 /nfs/dbraw/zinc/30/79/95/211307995.db2.gz SZGIOXBQTGFIFY-UHFFFAOYSA-N 1 0 386.517 2.682 40 0 GFABRO CNc1nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1CC[NH2+]C2 ZINC000072376555 211105463 /nfs/dbraw/zinc/10/54/63/211105463.db2.gz QEKNVFYPIUHHCW-GOSISDBHSA-N 1 0 383.471 2.599 40 0 GFABRO O=C(C[NH+]1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1)N1CCOCC1 ZINC000072348735 211095074 /nfs/dbraw/zinc/09/50/74/211095074.db2.gz OMHSKDUZISPPNR-UHFFFAOYSA-N 1 0 397.494 2.850 40 0 GFABRO CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccccc4)CC3)ccc21 ZINC000036741189 210731878 /nfs/dbraw/zinc/73/18/78/210731878.db2.gz HZCKGZDHGRZGHX-HSZRJFAPSA-N 1 0 379.504 2.841 40 0 GFABRO Cc1ccc(C(C)(C)C(=O)N2CC[C@@H](C(=O)NCC[NH+]3CCCCC3)C2)cc1 ZINC000019745422 210292220 /nfs/dbraw/zinc/29/22/20/210292220.db2.gz GDGOAVBJNMAQBA-LJQANCHMSA-N 1 0 385.552 2.723 40 0 GFABRO Cc1nc(N)c2ccc([C@@H]3CCC[N@@H+](CC(=O)N(C)C4CCCCC4)C3)nc2n1 ZINC000019743315 210290542 /nfs/dbraw/zinc/29/05/42/210290542.db2.gz IAJVUPMYCGDHCO-MRXNPFEDSA-N 1 0 396.539 2.886 40 0 GFABRO CC(C)c1cc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+](C)C)nn2cnnc12 ZINC000019662765 210279560 /nfs/dbraw/zinc/27/95/60/210279560.db2.gz JRFVVKNNTUFTGU-QGZVFWFLSA-N 1 0 386.887 2.934 40 0 GFABRO Cc1nc2cc(NC(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)ccc2n1C1CCCCC1 ZINC000019663700 210279617 /nfs/dbraw/zinc/27/96/17/210279617.db2.gz HWHIFHBWVXLIAC-MRXNPFEDSA-N 1 0 397.523 2.986 40 0 GFABRO COc1ccccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1cnc(OC)nc1OC ZINC000019570004 210268513 /nfs/dbraw/zinc/26/85/13/210268513.db2.gz WQTSZKUNBIKKBA-AQKKSAQBSA-N 1 0 399.491 2.622 40 0 GFABRO COc1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2Cc2ccccc2)cc(OC)c1 ZINC000019595148 210274412 /nfs/dbraw/zinc/27/44/12/210274412.db2.gz XLNCKDPXAFISKF-QHAWAJNXSA-N 1 0 382.504 2.566 40 0 GFABRO CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000019590931 210273050 /nfs/dbraw/zinc/27/30/50/210273050.db2.gz QLEZKCFRYDSIJT-FQEVSTJZSA-N 1 0 393.491 2.775 40 0 GFABRO C[N@@H+]1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)ncc2C1 ZINC000019590354 210271675 /nfs/dbraw/zinc/27/16/75/210271675.db2.gz IULLCCVHGAHVRB-SFHVURJKSA-N 1 0 390.484 2.520 40 0 GFABRO C[C@H](C[N@@H+]1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000072335495 136168377 /nfs/dbraw/zinc/16/83/77/136168377.db2.gz FABMBFBEXQWRLX-ZACQAIPSSA-N 1 0 382.508 2.958 40 0 GFABRO Cc1cc(=O)oc2cc(OCC(=O)N3C[C@@H]4C[NH2+]C[C@@H]4c4ccccc43)ccc12 ZINC000096157021 136184622 /nfs/dbraw/zinc/18/46/22/136184622.db2.gz RYCBEPISICHVOH-KXBFYZLASA-N 1 0 390.439 2.830 40 0 GFABRO COc1ccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)c(OC)c1 ZINC000225215969 553058771 /nfs/dbraw/zinc/05/87/71/553058771.db2.gz QGKOBJFWAMLDJA-UHFFFAOYSA-N 1 0 381.567 2.914 40 0 GFABRO CC[NH+](CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000012602259 560213189 /nfs/dbraw/zinc/21/31/89/560213189.db2.gz UDEYGQNMOXDLQC-XYJFISCASA-N 1 0 399.988 2.671 40 0 biogenic,in-vitro GFABRO O=C(C[N@H+]1CCC[C@@](O)(COc2ccccc2F)CC1)NCc1ccccc1 ZINC000585272860 570241140 /nfs/dbraw/zinc/24/11/40/570241140.db2.gz KBZKWIGRCATHHP-QFIPXVFZSA-N 1 0 386.467 2.738 40 0 GFABRO O[C@H]1CC[N@H+](CC2(O)CCCCCC2)C[C@]1(O)COc1cccc(Cl)c1 ZINC000585282082 570250077 /nfs/dbraw/zinc/25/00/77/570250077.db2.gz GVPVTTCVVPLFCW-ICSRJNTNSA-N 1 0 383.916 2.602 40 0 GFABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2CC1(O)CCN(c2ccc(C)cc2)CC1 ZINC000585284684 570253971 /nfs/dbraw/zinc/25/39/71/570253971.db2.gz VENGZOAOLOVGPD-FGZHOGPDSA-N 1 0 385.552 2.802 40 0 GFABRO Cc1csc(Nc2cc([C@H]3CCN(C(=O)/C=C/C[NH+](C)C)C3)nc(C)n2)n1 ZINC000585291782 570260374 /nfs/dbraw/zinc/26/03/74/570260374.db2.gz FZXLDMMOCQOOCX-NFAHFFEMSA-N 1 0 386.525 2.727 40 0 GFABRO O=S(=O)(Cc1ccccc1)N1C[C@H]2CN(Cc3ccccc3Cl)[C@H]2C1 ZINC000107798506 570311140 /nfs/dbraw/zinc/31/11/40/570311140.db2.gz LTIICTDNKUPHIX-MJGOQNOKSA-N 1 0 376.909 2.986 40 0 GFABRO C[NH+](C)CCNC(=O)c1cccc(-c2ccc(C[C@@H]3CCCNC3=O)cc2)c1 ZINC000072356282 570339575 /nfs/dbraw/zinc/33/95/75/570339575.db2.gz NOOOEOVDSISAFS-FQEVSTJZSA-N 1 0 379.504 2.714 40 0 GFABRO CCCCCC[NH+]1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@@H]1COCCN12 ZINC000604382010 570352972 /nfs/dbraw/zinc/35/29/72/570352972.db2.gz YUFSQDCVONXXQH-HXUWFJFHSA-N 1 0 386.540 2.870 40 0 biogenic,in-vitro GFABRO CC(C)(C)c1nccc(C[C@H]2[C@H]([NH2+]C3CCC(F)(F)CC3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382231 570353328 /nfs/dbraw/zinc/35/33/28/570353328.db2.gz LTOLZXYYIHXIBS-BRSBDYLESA-N 1 0 397.510 2.842 40 0 biogenic,in-vitro GFABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[NH+](CCO)CCO ZINC000118915694 570367102 /nfs/dbraw/zinc/36/71/02/570367102.db2.gz IEQZBQLFRAVFHT-KVWWBZGASA-N 1 0 377.569 2.965 40 0 in-vitro GFABRO CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000024116088 570379230 /nfs/dbraw/zinc/37/92/30/570379230.db2.gz FODOXMJZVLLNQN-UHFFFAOYSA-N 1 0 387.505 2.584 40 0 GFABRO Cc1ccc(S(=O)(=O)n2c3ccccc3nc2NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000043220497 570503356 /nfs/dbraw/zinc/50/33/56/570503356.db2.gz ICCGJPRJZZEHSF-MRXNPFEDSA-N 1 0 384.505 2.993 40 0 GFABRO COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CCN(C(=O)c1cnoc1)CC2 ZINC000247829173 570716537 /nfs/dbraw/zinc/71/65/37/570716537.db2.gz GWXQEMGWUYSXPN-KRWDZBQOSA-N 1 0 375.494 2.737 40 0 GFABRO C[C@@H](CNC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2)[NH+]1CCC(C)CC1 ZINC000019496778 570926844 /nfs/dbraw/zinc/92/68/44/570926844.db2.gz QLWVPDSDGXFTOR-YWJTXRPPSA-N 1 0 385.556 2.810 40 0 GFABRO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC000585102911 570931155 /nfs/dbraw/zinc/93/11/55/570931155.db2.gz HXDGYSUQTVGOST-QGZVFWFLSA-N 1 0 378.488 2.581 40 0 GFABRO C[C@H](c1cc(=O)[nH]c(NCC(C)(C)C[NH+](C)C)n1)n1ncc2ccccc2c1=O ZINC000019717574 571040343 /nfs/dbraw/zinc/04/03/43/571040343.db2.gz IFRRIYJCALANCN-CQSZACIVSA-N 1 0 396.495 2.501 40 0 GFABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)n1 ZINC000019572902 210267997 /nfs/dbraw/zinc/26/79/97/210267997.db2.gz IWZCHNXLAKDKNH-PXNSSMCTSA-N 1 0 396.539 2.983 40 0 GFABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccn1CCOc1ccc(Cl)cc1 ZINC000019575300 210267092 /nfs/dbraw/zinc/26/70/92/210267092.db2.gz SXYSQLFCCAYPMQ-NSISKUIASA-N 1 0 389.927 2.860 40 0 GFABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)c1 ZINC000019565116 210266416 /nfs/dbraw/zinc/26/64/16/210266416.db2.gz LGBURAPANSMIAJ-QGZVFWFLSA-N 1 0 399.491 2.660 40 0 GFABRO CCn1nc2c(c1C(=O)N(Cc1cccnc1)C1CC[NH+](C)CC1)CCCC2 ZINC000019524086 210256723 /nfs/dbraw/zinc/25/67/23/210256723.db2.gz HSVFUBNLYNNIQJ-UHFFFAOYSA-N 1 0 381.524 2.913 40 0 GFABRO CCOc1ccccc1C(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019520048 210255362 /nfs/dbraw/zinc/25/53/62/210255362.db2.gz GBTKZCKAIHXMND-UHFFFAOYSA-N 1 0 380.492 2.883 40 0 GFABRO C[C@H]1Cc2cc(C(=O)N3CCC[C@H](c4ncc5c(n4)CC[N@@H+](C)C5)C3)ccc2O1 ZINC000019497928 210252537 /nfs/dbraw/zinc/25/25/37/210252537.db2.gz SHPAOOXBTXFXTM-RDJZCZTQSA-N 1 0 392.503 2.808 40 0 GFABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000409057406 231152375 /nfs/dbraw/zinc/15/23/75/231152375.db2.gz PLQWVFWKJUXVCQ-MKTJXXHISA-O 1 0 388.422 2.842 40 0 GFABRO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@H]3CC[N@H+](Cc4cccs4)C3)nc2C1 ZINC000019343395 210241985 /nfs/dbraw/zinc/24/19/85/210241985.db2.gz FADMKYRVQMEWAR-HNNXBMFYSA-N 1 0 398.532 2.506 40 0 GFABRO O=C(C1CC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccs1)CC2 ZINC000019343555 210241002 /nfs/dbraw/zinc/24/10/02/210241002.db2.gz TZICAAVTDKSWOO-GOSISDBHSA-N 1 0 398.532 2.853 40 0 GFABRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1 ZINC000019211494 210232013 /nfs/dbraw/zinc/23/20/13/210232013.db2.gz VLWBYHYXKZYGKG-IBGZPJMESA-N 1 0 386.521 2.689 40 0 GFABRO CC(=O)NCCn1nc([C@H]2CC[N@H+](Cc3ccccc3Cl)C2)c2nccnc21 ZINC000019021588 210223958 /nfs/dbraw/zinc/22/39/58/210223958.db2.gz SACJJKJDZRKCDU-INIZCTEOSA-N 1 0 398.898 2.605 40 0 GFABRO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019079269 210223856 /nfs/dbraw/zinc/22/38/56/210223856.db2.gz NUQUBVNOSDOERA-AUUYWEPGSA-N 1 0 384.455 2.783 40 0 GFABRO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019078498 210223673 /nfs/dbraw/zinc/22/36/73/210223673.db2.gz RPDOHJNRDBCLNW-JKSUJKDBSA-N 1 0 398.482 2.777 40 0 GFABRO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc(C3CC[NH+](C)CC3)ncc2C1 ZINC000019079468 210223201 /nfs/dbraw/zinc/22/32/01/210223201.db2.gz BLQXLSGGPUNINR-HNNXBMFYSA-N 1 0 398.482 2.777 40 0 GFABRO O=C(C[NH+]1CCCCCC1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000016740485 210195520 /nfs/dbraw/zinc/19/55/20/210195520.db2.gz PHQZEAAQADJNPW-UHFFFAOYSA-N 1 0 391.493 2.573 40 0 GFABRO CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H](c1ccc(-n3cncn3)cc1)[NH2+]2 ZINC000306145976 212058037 /nfs/dbraw/zinc/05/80/37/212058037.db2.gz XVAXFTCKCHWZQW-GOSISDBHSA-N 1 0 399.495 2.698 40 0 GFABRO COCCN1CC[C@@]2(C[N@H+](Cc3ccoc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306140953 212052774 /nfs/dbraw/zinc/05/27/74/212052774.db2.gz VHMMBLHRYJUDKO-RXVVDRJESA-N 1 0 386.496 2.522 40 0 GFABRO COC(=O)N1Cc2nnc(C)n2C2(CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000306129971 212047075 /nfs/dbraw/zinc/04/70/75/212047075.db2.gz ISZAYGONUVONLN-UHFFFAOYSA-N 1 0 389.887 2.813 40 0 GFABRO CC(C)CS(=O)(=O)N[C@@H]1CCCC[C@@]12C[N@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000306123911 212045004 /nfs/dbraw/zinc/04/50/04/212045004.db2.gz BAHBELYJQDXKMC-VAMGGRTRSA-N 1 0 384.586 2.932 40 0 GFABRO O=C(C[N@H+]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NC1CC1 ZINC000257326557 212025144 /nfs/dbraw/zinc/02/51/44/212025144.db2.gz WXQHLNIHCNSXNR-GFCCVEGCSA-N 1 0 380.370 2.823 40 0 GFABRO O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCC[C@](O)(C[NH+]2CCCC2)CC1 ZINC000257314171 212024036 /nfs/dbraw/zinc/02/40/36/212024036.db2.gz UVPLZFGWBFHUEW-OAQYLSRUSA-N 1 0 386.471 2.669 40 0 GFABRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 ZINC000096269396 211968532 /nfs/dbraw/zinc/96/85/32/211968532.db2.gz SCRUVXXEWVRLFT-SFHVURJKSA-N 1 0 397.500 2.642 40 0 biogenic,in-vitro GFABRO CSc1ccccc1Nc1cc(-c2ccncc2)nc(NCC[NH+](C)C)n1 ZINC000328993130 209156013 /nfs/dbraw/zinc/15/60/13/209156013.db2.gz IZBWBDYGUUIRMS-UHFFFAOYSA-N 1 0 380.521 2.821 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2ccccn2)n1 ZINC000328994388 209156083 /nfs/dbraw/zinc/15/60/83/209156083.db2.gz JCYFWJKPDWFKJM-UHFFFAOYSA-N 1 0 388.397 2.517 40 0 GFABRO COc1ccc(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)cc1F ZINC000329014347 209156320 /nfs/dbraw/zinc/15/63/20/209156320.db2.gz MUWNALAAOWFOMU-UHFFFAOYSA-N 1 0 387.381 2.594 40 0 GFABRO CN(C)C(=O)C[NH+]1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 ZINC000096155761 211313943 /nfs/dbraw/zinc/31/39/43/211313943.db2.gz RUGGZNABLBBHSA-UHFFFAOYSA-N 1 0 381.455 2.803 40 0 GFABRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](CNc4ccc(C)nn4)CO3)C2)s1 ZINC000096240542 211322607 /nfs/dbraw/zinc/32/26/07/211322607.db2.gz WTKUHAUXRWMBPI-YLJYHZDGSA-N 1 0 388.537 2.875 40 0 GFABRO Cn1nc(C(=O)N2CCC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c2ccccc21 ZINC000096228373 211321640 /nfs/dbraw/zinc/32/16/40/211321640.db2.gz ZESGVEDIMLBCLL-VGOFRKELSA-N 1 0 382.508 2.680 40 0 GFABRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 ZINC000096076236 211298855 /nfs/dbraw/zinc/29/88/55/211298855.db2.gz YWUQAUHYHWUCHU-FQEVSTJZSA-N 1 0 390.915 2.951 40 0 GFABRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cccs3)C[C@H]12 ZINC000096058468 211297950 /nfs/dbraw/zinc/29/79/50/211297950.db2.gz GGCXBVIXFUQBIV-OALUTQOASA-N 1 0 376.547 2.926 40 0 GFABRO C[N@@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)c3cccnc3)CC[C@@H]12 ZINC000096145276 211308127 /nfs/dbraw/zinc/30/81/27/211308127.db2.gz SRRPADQKJPTERN-DENIHFKCSA-N 1 0 378.476 2.647 40 0 GFABRO C[N@@H+]1CCn2c(nnc2[C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000072374017 211103195 /nfs/dbraw/zinc/10/31/95/211103195.db2.gz ZITRCMCNFHMGGP-GOSISDBHSA-N 1 0 378.480 2.501 40 0 GFABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCc2nnc([C@@H]3CCCC[NH2+]3)n2CC1 ZINC000072372818 211102227 /nfs/dbraw/zinc/10/22/27/211102227.db2.gz CNKKDRFOELNDJT-KRWDZBQOSA-N 1 0 396.470 2.720 40 0 GFABRO CC(=O)NCC(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000072374955 211104997 /nfs/dbraw/zinc/10/49/97/211104997.db2.gz XMZCERFANUKXGR-QGZVFWFLSA-N 1 0 381.480 2.679 40 0 GFABRO O=C(c1cc[nH]n1)N1CC[N@H+](Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072355192 211099156 /nfs/dbraw/zinc/09/91/56/211099156.db2.gz XWGBNMWZQMJCJL-IBGZPJMESA-N 1 0 375.476 2.622 40 0 GFABRO COCC[NH+]1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(OC)cc2)CC1 ZINC000019759124 210292688 /nfs/dbraw/zinc/29/26/88/210292688.db2.gz UQICNJAPIBWWPP-UHFFFAOYSA-N 1 0 386.496 2.582 40 0 GFABRO Cc1nccn1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000019657946 210276690 /nfs/dbraw/zinc/27/66/90/210276690.db2.gz VTMWOZNBGLERHD-GOSISDBHSA-N 1 0 378.480 2.728 40 0 GFABRO COc1cc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc(OC)c1 ZINC000019595084 210275594 /nfs/dbraw/zinc/27/55/94/210275594.db2.gz GGOXEPXUGQRIAV-KRWDZBQOSA-N 1 0 392.459 2.839 40 0 GFABRO C[C@H](C(=O)NC(C)(C)C[N@@H+]1CCC[C@@H](C)C1)N1c2ccccc2O[C@H](C)C1=O ZINC000019496528 136202369 /nfs/dbraw/zinc/20/23/69/136202369.db2.gz JXHLWIMWEXMXIB-BRWVUGGUSA-N 1 0 387.524 2.816 40 0 GFABRO COC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000073257867 222268962 /nfs/dbraw/zinc/26/89/62/222268962.db2.gz CGPNWVMBMDTTMA-NHCUHLMSSA-N 1 0 398.503 2.839 40 0 GFABRO CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C[NH3+])CO)cc1 ZINC000218566820 553053722 /nfs/dbraw/zinc/05/37/22/553053722.db2.gz JZWLTCJZSATAHA-FHWLQOOXSA-N 1 0 379.909 2.780 40 0 GFABRO Cn1cc(C[N@@H+]2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)c2ccccc21 ZINC000096269112 560054104 /nfs/dbraw/zinc/05/41/04/560054104.db2.gz XNBWKVGPFSFXQK-LJQANCHMSA-N 1 0 375.476 2.695 40 0 biogenic,in-vitro GFABRO COc1ccc(Cl)cc1-c1ccc2c(c1)C(=O)N1CC[C@H]([NH3+])C[C@H]1C(=O)N2 ZINC000012604814 560213498 /nfs/dbraw/zinc/21/34/98/560213498.db2.gz PCBCODIWLUMJCH-GUYCJALGSA-N 1 0 385.851 2.900 40 0 biogenic,in-vitro GFABRO C[NH2+]CCOc1cccc(C(=O)N[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)c1 ZINC000585261658 570228490 /nfs/dbraw/zinc/22/84/90/570228490.db2.gz YGLNSFMRELHJGB-YPAWHYETSA-N 1 0 398.503 2.766 40 0 GFABRO Cn1ccnc1COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000585268332 570234021 /nfs/dbraw/zinc/23/40/21/570234021.db2.gz WUCLNANCUBJTTG-NHCUHLMSSA-N 1 0 397.450 2.762 40 0 GFABRO C[N@H+](Cc1ccc(OCCF)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585269600 570237382 /nfs/dbraw/zinc/23/73/82/570237382.db2.gz ALXIQMVVPBITKH-HXUWFJFHSA-N 1 0 377.435 2.642 40 0 GFABRO CN1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 ZINC000002377039 570299107 /nfs/dbraw/zinc/29/91/07/570299107.db2.gz FFXQZPNQCIUTQO-JOCHJYFZSA-N 1 0 395.528 2.848 40 0 GFABRO O=S(=O)(Cc1ccccc1)N1C[C@H]2CN(Cc3cccc(Cl)c3)[C@H]2C1 ZINC000107816177 570311185 /nfs/dbraw/zinc/31/11/85/570311185.db2.gz AKWXQHJNYDUQSE-MJGOQNOKSA-N 1 0 376.909 2.986 40 0 GFABRO COc1ccc(F)cc1S(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224516329 570515984 /nfs/dbraw/zinc/51/59/84/570515984.db2.gz FHCCUYQADXZTHB-UHFFFAOYSA-N 1 0 378.469 2.909 40 0 GFABRO Cc1nc2nc3ccn(CC[NH+](C)C)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 ZINC000038828865 570584191 /nfs/dbraw/zinc/58/41/91/570584191.db2.gz FYCPFMWBPODKJK-UHFFFAOYSA-N 1 0 382.855 2.630 40 0 GFABRO COC[C@H]1CN(C(=O)c2ccco2)CC12CC[NH+](CC1CCOCC1)CC2 ZINC000247905231 570717378 /nfs/dbraw/zinc/71/73/78/570717378.db2.gz WVCKFPHJBHMROA-GOSISDBHSA-N 1 0 376.497 2.507 40 0 GFABRO CC[NH2+][C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C2(C1)CCCCC2 ZINC000019703982 570896918 /nfs/dbraw/zinc/89/69/18/570896918.db2.gz ASQDBEQYXNWZET-HNNXBMFYSA-N 1 0 380.510 2.533 40 0 GFABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1 ZINC000585104566 570933698 /nfs/dbraw/zinc/93/36/98/570933698.db2.gz QJIQCHIWWZSYJA-HLAWJBBLSA-N 1 0 386.536 2.709 40 0 GFABRO CC(C)[N@H+](C)CC(=O)N1CCc2[nH]nc(-c3ccc4c(c3)CCCO4)c2CC1 ZINC000585110344 570939649 /nfs/dbraw/zinc/93/96/49/570939649.db2.gz HSTUIXIRSBJPFR-UHFFFAOYSA-N 1 0 382.508 2.669 40 0 GFABRO CCN1CC[N@H+](CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585172747 570997673 /nfs/dbraw/zinc/99/76/73/570997673.db2.gz DGSUSZFUKKEHLZ-OAQYLSRUSA-N 1 0 393.531 2.860 40 0 GFABRO COc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCc1ccccc1C(=O)N3)OCCO2 ZINC000019550565 210261529 /nfs/dbraw/zinc/26/15/29/210261529.db2.gz NHGLISCFMUQMQT-HSZRJFAPSA-N 1 0 394.471 2.787 40 0 GFABRO CCOc1ccc(CCC(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)cc1 ZINC000019533096 210259339 /nfs/dbraw/zinc/25/93/39/210259339.db2.gz NDBRSLCDRDTHGS-UHFFFAOYSA-N 1 0 394.519 2.860 40 0 GFABRO CCOc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C1)OCO2 ZINC000019532511 210258986 /nfs/dbraw/zinc/25/89/86/210258986.db2.gz WXCCUYVVRTVTTH-JIGPKXGUSA-N 1 0 382.460 2.939 40 0 GFABRO CCOc1ccc(CC(=O)N2CCc3nc([C@H]4CCC[N@H+](C)C4)ncc3C2)cc1 ZINC000019533024 210258940 /nfs/dbraw/zinc/25/89/40/210258940.db2.gz XHUNEXGBMCXAIZ-SFHVURJKSA-N 1 0 394.519 2.812 40 0 GFABRO CCN(CC)c1ncc2c(cc(C3CC[NH+](Cc4cnn(C)c4)CC3)[nH]c2=O)n1 ZINC000019526560 210255838 /nfs/dbraw/zinc/25/58/38/210255838.db2.gz VOEGLWUSLPDNAA-UHFFFAOYSA-N 1 0 395.511 2.690 40 0 GFABRO CCCC[N@H+](C)CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 ZINC000019502221 210254936 /nfs/dbraw/zinc/25/49/36/210254936.db2.gz GJEIKUYNKBYDET-LJQANCHMSA-N 1 0 381.480 2.630 40 0 GFABRO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nc(C(C)C)[nH]c(=O)c2CC1 ZINC000019453743 210251430 /nfs/dbraw/zinc/25/14/30/210251430.db2.gz XTLKRXMLLMRUMU-UHFFFAOYSA-N 1 0 387.480 2.520 40 0 GFABRO C[NH+](C)CCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)ncn1 ZINC000329062898 231047782 /nfs/dbraw/zinc/04/77/82/231047782.db2.gz XADNDXKVNAAOHZ-UHFFFAOYSA-N 1 0 381.402 2.911 40 0 GFABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1c(C)[nH]c2ccc(Cl)cc21 ZINC000019365195 210244708 /nfs/dbraw/zinc/24/47/08/210244708.db2.gz KHSSVTFHEAVQGB-INIZCTEOSA-N 1 0 376.932 2.814 40 0 GFABRO O=C(COc1ccc(F)cc1F)N1CCCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019293074 210240283 /nfs/dbraw/zinc/24/02/83/210240283.db2.gz GLJSETZCPDXQRP-KRWDZBQOSA-N 1 0 388.418 2.533 40 0 GFABRO O=C(COc1ccc(F)cc1F)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019293076 210240091 /nfs/dbraw/zinc/24/00/91/210240091.db2.gz LTHSTOJUSIJTBJ-QGZVFWFLSA-N 1 0 388.418 2.533 40 0 GFABRO COc1cccc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)c1 ZINC000019291345 210238017 /nfs/dbraw/zinc/23/80/17/210238017.db2.gz FSCMQSPEYOJCTH-JOCHJYFZSA-N 1 0 392.503 2.833 40 0 GFABRO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c(Cl)cc1O ZINC000019291455 210237236 /nfs/dbraw/zinc/23/72/36/210237236.db2.gz BYXFKNDXERTLFW-FSWDVZBNSA-N 1 0 377.872 2.802 40 0 GFABRO Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019210916 210231441 /nfs/dbraw/zinc/23/14/41/210231441.db2.gz DTJSXBCMEUHDJS-IRXDYDNUSA-N 1 0 380.492 2.604 40 0 GFABRO Cc1ccc(O[C@H](C)C(=O)N2CCc3nc(C4CC[NH+](C)CC4)ncc3C2)cc1 ZINC000019210918 210230725 /nfs/dbraw/zinc/23/07/25/210230725.db2.gz YXMHQWALOFUHIL-QGZVFWFLSA-N 1 0 394.519 2.946 40 0 GFABRO Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)cc1 ZINC000019135907 210227887 /nfs/dbraw/zinc/22/78/87/210227887.db2.gz SCTPXFWAHVPNQQ-SJLPKXTDSA-N 1 0 394.519 2.576 40 0 GFABRO C[N@@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)ncc2C1 ZINC000019083639 210225023 /nfs/dbraw/zinc/22/50/23/210225023.db2.gz NFOUQJZMVXMVOW-KRWDZBQOSA-N 1 0 382.512 2.853 40 0 GFABRO COc1cccc(C[N@@H+]2CC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000019021826 210223777 /nfs/dbraw/zinc/22/37/77/210223777.db2.gz VCNLBHMBZRSNEZ-GOSISDBHSA-N 1 0 393.491 2.566 40 0 GFABRO C[C@@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)[NH+]1CCCC1 ZINC000019080243 210222983 /nfs/dbraw/zinc/22/29/83/210222983.db2.gz ACZNJOWTDHNDEX-HNNXBMFYSA-N 1 0 396.520 2.669 40 0 GFABRO COc1cccc(C[N@@H+]2CCC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)c1 ZINC000019018403 210221423 /nfs/dbraw/zinc/22/14/23/210221423.db2.gz KYVUJIKHMRNMBX-SFHVURJKSA-N 1 0 380.492 2.769 40 0 GFABRO CC(=O)N(C)C1CCC2(CC1)C[N@H+](Cc1cnn(C)c1)Cc1ccccc1O2 ZINC000019016301 210221115 /nfs/dbraw/zinc/22/11/15/210221115.db2.gz LVWHHLGWVXOMGU-UHFFFAOYSA-N 1 0 382.508 2.974 40 0 GFABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016025177 210182780 /nfs/dbraw/zinc/18/27/80/210182780.db2.gz YYRKTOXXDWIDNM-VJRXPSPPSA-N 1 0 389.883 2.515 40 0 GFABRO Cc1cncc(C(=O)N2CC3(C2)C[C@H](COCc2ccccn2)CC[N@H+]3C)c1 ZINC000306145168 212057148 /nfs/dbraw/zinc/05/71/48/212057148.db2.gz ZZWJSZILGREJOJ-GOSISDBHSA-N 1 0 380.492 2.538 40 0 GFABRO O=C1N(Cc2ccsc2)CCO[C@]12C[N@@H+](C1CCC1)C[C@H]2c1cccnc1 ZINC000306141424 212055280 /nfs/dbraw/zinc/05/52/80/212055280.db2.gz VVQFIAMMUKICLE-FPOVZHCZSA-N 1 0 383.517 2.893 40 0 GFABRO COC(=O)N1Cc2nnc(-c3ccc(OC)cc3)n2C2(CC[NH+](C(C)C)CC2)C1 ZINC000306137781 212052629 /nfs/dbraw/zinc/05/26/29/212052629.db2.gz RGFBMRVGERHKPC-UHFFFAOYSA-N 1 0 399.495 2.735 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306126736 212045217 /nfs/dbraw/zinc/04/52/17/212045217.db2.gz FDTMVAHGIMXNTE-CVEARBPZSA-N 1 0 379.489 2.896 40 0 GFABRO Cc1cc(Nc2cc(CC3CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC3)nc(C)n2)n[nH]1 ZINC000257245230 212010271 /nfs/dbraw/zinc/01/02/71/212010271.db2.gz IOPSSECZWFZYQX-SFHVURJKSA-N 1 0 399.543 2.715 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@@H]1c1ccccc1F ZINC000257228000 212006496 /nfs/dbraw/zinc/00/64/96/212006496.db2.gz FRXUHJHUQJIDTP-XLIONFOSSA-N 1 0 375.488 2.678 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c(F)c2F)cc(C(F)(F)F)n1 ZINC000329031304 209157985 /nfs/dbraw/zinc/15/79/85/209157985.db2.gz QIIYSADHYUZOTM-UHFFFAOYSA-N 1 0 393.335 2.864 40 0 GFABRO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)s1 ZINC000257216736 212005654 /nfs/dbraw/zinc/00/56/54/212005654.db2.gz CVWBXDHSOZWIQC-CQSZACIVSA-N 1 0 395.554 2.884 40 0 GFABRO COc1ccc(C[NH+]2C[C@H]3CN(C(=O)CCc4cccnc4)C[C@@H]3C2)cc1F ZINC000096245539 211325475 /nfs/dbraw/zinc/32/54/75/211325475.db2.gz MCGKZBTZBNOGIT-OALUTQOASA-N 1 0 383.467 2.752 40 0 GFABRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc1 ZINC000096215453 211319566 /nfs/dbraw/zinc/31/95/66/211319566.db2.gz VFMBDJKUQKPSSF-NRFANRHFSA-N 1 0 392.565 2.898 40 0 GFABRO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1ccncc1)CCC2 ZINC000096056049 211299410 /nfs/dbraw/zinc/29/94/10/211299410.db2.gz KNKHIZLNYQDTIQ-UGKGYDQZSA-N 1 0 380.492 2.758 40 0 GFABRO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)[nH+]1 ZINC000072374895 211104968 /nfs/dbraw/zinc/10/49/68/211104968.db2.gz KCQPJLMELUILOE-MRXNPFEDSA-N 1 0 389.525 2.823 40 0 GFABRO O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@H]2CC[C@@H]1C[C@]21NC(=O)c2ccccc2O1 ZINC000072339089 211092911 /nfs/dbraw/zinc/09/29/11/211092911.db2.gz FKCUFWNDTOMWDZ-MOOKXKAQSA-N 1 0 397.519 2.543 40 0 GFABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1F ZINC000030337626 210554476 /nfs/dbraw/zinc/55/44/76/210554476.db2.gz YOXLQPKSMHNJTB-UHFFFAOYSA-N 1 0 378.469 2.909 40 0 GFABRO CNc1cc(CN(C)C(=O)c2cccc3ncccc32)nc(C2CC[NH2+]CC2)n1 ZINC000019710159 210286549 /nfs/dbraw/zinc/28/65/49/210286549.db2.gz MLJJXOPBHQKTSM-UHFFFAOYSA-N 1 0 390.491 2.806 40 0 GFABRO CC(C)[N@H+]1Cc2cn(C)nc2[C@H](C(=O)NCCc2c[nH]c3ccc(F)cc23)C1 ZINC000019695687 210281952 /nfs/dbraw/zinc/28/19/52/210281952.db2.gz PDRRSPVZXUAUHK-GOSISDBHSA-N 1 0 383.471 2.707 40 0 GFABRO CC[N@@H+]1CCC[C@@H](Nc2cc(Cn3c(C)nc4ccccc4c3=O)nc(C)n2)C1 ZINC000019655475 210276754 /nfs/dbraw/zinc/27/67/54/210276754.db2.gz SXGSVCQOAWSQSQ-QGZVFWFLSA-N 1 0 392.507 2.748 40 0 GFABRO Fc1ccc(OC[C@@H]2CCC[N@H+](Cc3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000019657879 210276384 /nfs/dbraw/zinc/27/63/84/210276384.db2.gz CGVCPTCQODELHR-QGZVFWFLSA-N 1 0 386.471 2.743 40 0 GFABRO COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019590633 210272916 /nfs/dbraw/zinc/27/29/16/210272916.db2.gz ONWWTOFPIBSJMF-ZDUSSCGKSA-N 1 0 386.883 2.756 40 0 GFABRO C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)CCc3nc4ccccc4[nH]3)ncc2C1 ZINC000019590503 210272472 /nfs/dbraw/zinc/27/24/72/210272472.db2.gz PFTYEGPISJSKEX-LJQANCHMSA-N 1 0 390.491 2.637 40 0 GFABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)[nH]c(=O)c2C1 ZINC000019590240 210271739 /nfs/dbraw/zinc/27/17/39/210271739.db2.gz QIPDZSRJIIWDFN-KRWDZBQOSA-N 1 0 380.492 2.509 40 0 GFABRO COc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019590632 210271829 /nfs/dbraw/zinc/27/18/29/210271829.db2.gz ONWWTOFPIBSJMF-CYBMUJFWSA-N 1 0 386.883 2.756 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C(C)=O)cc1 ZINC000096050145 136183308 /nfs/dbraw/zinc/18/33/08/136183308.db2.gz PWHPAHJULAFVRP-QHCPKHFHSA-N 1 0 393.487 2.535 40 0 GFABRO COc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000109423571 136192010 /nfs/dbraw/zinc/19/20/10/136192010.db2.gz HNXSIVLZDDMEED-UHFFFAOYSA-N 1 0 375.494 2.556 40 0 GFABRO CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C[NH2+]Cc2cccs2)cc1 ZINC000004895827 551095420 /nfs/dbraw/zinc/09/54/20/551095420.db2.gz VMTAIDIELWHPLB-CYBMUJFWSA-N 1 0 381.523 2.553 40 0 GFABRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccsc3)C[C@@H]12 ZINC000247502448 553122734 /nfs/dbraw/zinc/12/27/34/553122734.db2.gz FXEJWHSMKKIATG-MOPGFXCFSA-N 1 0 376.547 2.926 40 0 GFABRO CC1=C[C@@H](CNC(=O)c2ccco2)[C@H](C(C)C)C[C@H]1CC(=O)NCC[NH+](C)C ZINC000030880375 560089876 /nfs/dbraw/zinc/08/98/76/560089876.db2.gz AZYFBPHCLITMSJ-FHWLQOOXSA-N 1 0 389.540 2.932 40 0 biogenic,in-vitro GFABRO C[NH+](C)CCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2cccnc2)n1 ZINC000329006801 570211863 /nfs/dbraw/zinc/21/18/63/570211863.db2.gz LFPIUVFIHZRYQV-UHFFFAOYSA-N 1 0 388.397 2.517 40 0 GFABRO CC(C)CC[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382283 570353501 /nfs/dbraw/zinc/35/35/01/570353501.db2.gz NCMCKKKMZKTIEL-GXRSIYKFSA-N 1 0 399.535 2.592 40 0 biogenic,in-vitro GFABRO Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000408626543 570378697 /nfs/dbraw/zinc/37/86/97/570378697.db2.gz IALRESWZOBZGJF-UHFFFAOYSA-N 1 0 398.532 2.639 40 0 GFABRO COC(=O)C1=C(C(=O)OC)[C@]2(c3ccccc3)c3ccccc3[C@H]1[n+]1ccccc12 ZINC000005120980 570430192 /nfs/dbraw/zinc/43/01/92/570430192.db2.gz DKMUFSBYSWBWDW-RCZVLFRGSA-N 1 0 398.438 2.868 40 0 GFABRO COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222997660 570436039 /nfs/dbraw/zinc/43/60/39/570436039.db2.gz JUHOUEKFSHQQOD-RBUKOAKNSA-N 1 0 379.489 2.886 40 0 GFABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000225618519 570594774 /nfs/dbraw/zinc/59/47/74/570594774.db2.gz FCUDICJRXRDPNG-MRXNPFEDSA-N 1 0 382.526 2.715 40 0 GFABRO COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[nH]c(NCCCOC(C)C)n2)c1 ZINC000012220257 570627675 /nfs/dbraw/zinc/62/76/75/570627675.db2.gz IKMGAAPKWZQLOM-ZWKOTPCHSA-N 1 0 386.496 2.888 40 0 GFABRO Cc1c2ccccc2[nH]c1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C2 ZINC000012366076 570647175 /nfs/dbraw/zinc/64/71/75/570647175.db2.gz WWZZKLSNTFSEKT-NHJWOMDBSA-N 1 0 392.503 2.900 40 0 GFABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 ZINC000260921127 570714504 /nfs/dbraw/zinc/71/45/04/570714504.db2.gz OMIFSMXLCBXSCY-AHRSYUTCSA-N 1 0 399.564 2.596 40 0 GFABRO COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CCN(C(=O)c1cocn1)CC2 ZINC000247832748 570716779 /nfs/dbraw/zinc/71/67/79/570716779.db2.gz HYQPSKMQAGNTDK-INIZCTEOSA-N 1 0 375.494 2.737 40 0 GFABRO COC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000104190049 570727357 /nfs/dbraw/zinc/72/73/57/570727357.db2.gz SQAJLAVFEKAKKH-INDMIFKZSA-N 1 0 392.386 2.514 40 0 GFABRO Cc1cccc(OCC(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000006614348 570747751 /nfs/dbraw/zinc/74/77/51/570747751.db2.gz FWGBJVMXFQCRSF-UHFFFAOYSA-N 1 0 398.532 2.639 40 0 GFABRO COc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCc1cccnc1 ZINC000007276825 570757601 /nfs/dbraw/zinc/75/76/01/570757601.db2.gz UGAQTAFEGJDQFL-LBPRGKRZSA-N 1 0 381.270 2.902 40 0 GFABRO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000003605727 570877503 /nfs/dbraw/zinc/87/75/03/570877503.db2.gz MMEQLANOFGGVLO-UHFFFAOYSA-N 1 0 381.461 2.951 40 0 GFABRO CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)CC1 ZINC000257204257 570888256 /nfs/dbraw/zinc/88/82/56/570888256.db2.gz ATSPNJYHGGRMPU-BZSNNMDCSA-N 1 0 399.539 2.514 40 0 GFABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218564039 570928662 /nfs/dbraw/zinc/92/86/62/570928662.db2.gz ITJLHESTTAYOET-ZJOUEHCJSA-N 1 0 387.501 2.697 40 0 GFABRO CCN1CCN(C(=O)CC[NH3+])C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183636 571000693 /nfs/dbraw/zinc/00/06/93/571000693.db2.gz WHUQPQQYIHZQKT-OAQYLSRUSA-N 1 0 393.531 2.860 40 0 GFABRO C[NH+](C)CCNc1nc(NCc2ccc(Br)cc2)cc(C2CC2)n1 ZINC000329046001 212094391 /nfs/dbraw/zinc/09/43/91/212094391.db2.gz TYUYXDZNUODASE-UHFFFAOYSA-N 1 0 390.329 2.546 40 0 GFABRO COc1ccc(Nc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)cc1F ZINC000329025760 212093336 /nfs/dbraw/zinc/09/33/36/212093336.db2.gz PIOPVCXGKWYZCT-UHFFFAOYSA-N 1 0 396.470 2.637 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2c(F)cc(F)cc2F)cc(-c2ccccn2)n1 ZINC000328981674 212092832 /nfs/dbraw/zinc/09/28/32/212092832.db2.gz GVHDGEKLUYJNKP-UHFFFAOYSA-N 1 0 388.397 2.517 40 0 GFABRO C[NH+](C)CCNc1nc(NCc2cccc(Br)c2)cc(C2CC2)n1 ZINC000329044235 212095022 /nfs/dbraw/zinc/09/50/22/212095022.db2.gz SVKHYUXPDSGOKK-UHFFFAOYSA-N 1 0 390.329 2.546 40 0 GFABRO COc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1OC ZINC000012327788 221183185 /nfs/dbraw/zinc/18/31/85/221183185.db2.gz PVARSQROVYTHOI-GOSISDBHSA-N 1 0 375.440 2.860 40 0 GFABRO Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 ZINC000012366332 221185033 /nfs/dbraw/zinc/18/50/33/221185033.db2.gz YQPJHKVPMBSFSE-DETIRCLXSA-N 1 0 379.504 2.987 40 0 GFABRO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000015335973 221334759 /nfs/dbraw/zinc/33/47/59/221334759.db2.gz HQVLSMJKGRTCHP-UHFFFAOYSA-N 1 0 387.505 2.719 40 0 GFABRO Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cc1 ZINC000019135313 221398701 /nfs/dbraw/zinc/39/87/01/221398701.db2.gz XLXJUTPZKLCHGO-LJQANCHMSA-N 1 0 380.492 2.822 40 0 GFABRO C[NH+]1CCC(c2ncc3c(n2)CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C3)CC1 ZINC000019083687 221396639 /nfs/dbraw/zinc/39/66/39/221396639.db2.gz CWSPRLMLYFJBTQ-UHFFFAOYSA-N 1 0 382.512 2.505 40 0 GFABRO COc1ccc(Cl)cc1C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019559103 221425970 /nfs/dbraw/zinc/42/59/70/221425970.db2.gz XREMMDQFRWQFQY-CYBMUJFWSA-N 1 0 399.882 2.600 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000020636715 221506016 /nfs/dbraw/zinc/50/60/16/221506016.db2.gz PGVANTOMROFXNR-PMACEKPBSA-N 1 0 391.471 2.760 40 0 GFABRO C[NH+](C)CC(=O)N1CCC2(CC1)CC(=O)N(c1cccnc1)c1ccccc12 ZINC000096243933 136185574 /nfs/dbraw/zinc/18/55/74/136185574.db2.gz FEKIHPVZBLUGPQ-UHFFFAOYSA-N 1 0 378.476 2.572 40 0 GFABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](Cc3ccncc3)C2)cc1 ZINC000072345950 222232521 /nfs/dbraw/zinc/23/25/21/222232521.db2.gz ZAMIOBQTWYYTEH-GOSISDBHSA-N 1 0 388.475 2.599 40 0 GFABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCc2nnc([C@H]3CCCC[NH2+]3)n2CC1 ZINC000072372819 222242874 /nfs/dbraw/zinc/24/28/74/222242874.db2.gz CNKKDRFOELNDJT-QGZVFWFLSA-N 1 0 396.470 2.720 40 0 GFABRO O=C(c1cc(C2CCCCC2)no1)N1CCc2nnc([C@H]3CCCC[NH2+]3)n2CC1 ZINC000072372825 222243222 /nfs/dbraw/zinc/24/32/22/222243222.db2.gz DFMGZHRPWBDVQL-MRXNPFEDSA-N 1 0 398.511 2.827 40 0 GFABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccco1)CC3 ZINC000096036322 222373305 /nfs/dbraw/zinc/37/33/05/222373305.db2.gz QAOCLJXLSWHOAY-WMZHIEFXSA-N 1 0 399.535 2.856 40 0 GFABRO O=C(COc1ccccc1)N1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096078190 222376408 /nfs/dbraw/zinc/37/64/08/222376408.db2.gz QPJXSZSJTRBLEE-UHFFFAOYSA-N 1 0 395.503 2.602 40 0 GFABRO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccsc3)C[C@H]12 ZINC000096058471 222377222 /nfs/dbraw/zinc/37/72/22/222377222.db2.gz FXEJWHSMKKIATG-RBUKOAKNSA-N 1 0 376.547 2.926 40 0 GFABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N(C)C)C1)CCN(C(=O)c1ccccc1)CC3 ZINC000096143875 222387399 /nfs/dbraw/zinc/38/73/99/222387399.db2.gz MJJPSTCUHHEZMC-WMZHIEFXSA-N 1 0 383.536 2.729 40 0 GFABRO CN(C)S(=O)(=O)N1Cc2ccccc2C2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096242459 222403148 /nfs/dbraw/zinc/40/31/48/222403148.db2.gz UINNBSKPNBPKMQ-UHFFFAOYSA-N 1 0 391.581 2.832 40 0 GFABRO CO[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(C[C@@H](OC)c2ccccc2)CC1 ZINC000022861998 523958007 /nfs/dbraw/zinc/95/80/07/523958007.db2.gz VSTNNAYSCJQCQI-YTFSRNRJSA-N 1 0 384.520 2.740 40 0 in-man GFABRO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000408710411 528633660 /nfs/dbraw/zinc/63/36/60/528633660.db2.gz OWUUPKOMOVGMDF-UHFFFAOYSA-N 1 0 376.472 2.839 40 0 GFABRO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)c2cccc(I)c2)C1 ZINC000048482611 551157065 /nfs/dbraw/zinc/15/70/65/551157065.db2.gz KBXWDANGSICLBI-BETUJISGSA-N 1 0 386.277 2.999 40 0 GFABRO [NH3+]C[C@@]1(CO)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000242575104 553087935 /nfs/dbraw/zinc/08/79/35/553087935.db2.gz NSDWPWFPWWQESM-ZACQAIPSSA-N 1 0 386.300 2.871 40 0 GFABRO COc1ccc2c3c1O[C@@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)(C)O)C2 ZINC000253504633 560037794 /nfs/dbraw/zinc/03/77/94/560037794.db2.gz HXFDWGKUUFPMRG-LQRIDTQKSA-N 1 0 397.515 2.686 40 0 biogenic,in-vitro GFABRO C[NH+](C)CCNc1nc(Nc2cc(Cl)ccc2F)cc(-c2cccnc2)n1 ZINC000329011389 570212139 /nfs/dbraw/zinc/21/21/39/570212139.db2.gz MDTQJAHMLQMLMC-UHFFFAOYSA-N 1 0 386.862 2.892 40 0 GFABRO Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(=O)N1CCC[N@H+](C)CC1 ZINC000096147627 570214219 /nfs/dbraw/zinc/21/42/19/570214219.db2.gz SIDRHLREUMZZSS-UHFFFAOYSA-N 1 0 375.476 2.927 40 0 GFABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NCC2CC2)Cn2ccnc23)cc1 ZINC000096243589 570223339 /nfs/dbraw/zinc/22/33/39/570223339.db2.gz GIEHPJHQJNIJBJ-HXUWFJFHSA-N 1 0 394.519 2.608 40 0 GFABRO COc1cccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000026780933 570428694 /nfs/dbraw/zinc/42/86/94/570428694.db2.gz AXAVXFQHYBOCFW-SFHVURJKSA-N 1 0 376.884 2.911 40 0 GFABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 ZINC000223261675 570454324 /nfs/dbraw/zinc/45/43/24/570454324.db2.gz OMIFSMXLCBXSCY-VDGAXYAQSA-N 1 0 399.564 2.596 40 0 GFABRO COc1ccc(OC)c(NC(=O)[C@H](C)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000026439344 570465769 /nfs/dbraw/zinc/46/57/69/570465769.db2.gz NBTRRYGPHFDJBM-INIZCTEOSA-N 1 0 375.513 2.981 40 0 GFABRO OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223607354 570474061 /nfs/dbraw/zinc/47/40/61/570474061.db2.gz ALMUQAHYZXNWPE-RTBURBONSA-N 1 0 379.489 2.622 40 0 GFABRO COC(=O)C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC000044914566 570642922 /nfs/dbraw/zinc/64/29/22/570642922.db2.gz QYNRKTDUNSZQSK-KRWDZBQOSA-N 1 0 378.900 2.964 40 0 GFABRO Nc1nc2c(c(N)n1)C[C@]1(CC[N@H+](CC(c3ccccc3)c3ccccc3)C1)O2 ZINC000257237291 570767047 /nfs/dbraw/zinc/76/70/47/570767047.db2.gz HFWDAXNWJIEMPK-QHCPKHFHSA-N 1 0 387.487 2.853 40 0 GFABRO Cc1ncsc1C[N@H+]1CCC[C@H](c2ccnc3c(C(=O)N(C)C)cnn32)C1 ZINC000257242406 570768344 /nfs/dbraw/zinc/76/83/44/570768344.db2.gz ICIHNJVDWPGWFF-AWEZNQCLSA-N 1 0 384.509 2.576 40 0 GFABRO Cc1ncc(-c2ccc(C[C@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)cn2)n1C ZINC000257248596 570770171 /nfs/dbraw/zinc/77/01/71/570770171.db2.gz JEJBEYFISGWSMC-LJQANCHMSA-N 1 0 395.551 2.913 40 0 GFABRO COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@]4(C)[NH2+]CCC[C@@H]34)[nH]n2)c1 ZINC000257264664 570772461 /nfs/dbraw/zinc/77/24/61/570772461.db2.gz LVMYCCCHMNEGFJ-CTNGQTDRSA-N 1 0 384.480 2.841 40 0 GFABRO CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)CN(C)Cc1ccccc1F ZINC000257271530 570773511 /nfs/dbraw/zinc/77/35/11/570773511.db2.gz MYRMXYAYCNAVAW-FPOVZHCZSA-N 1 0 375.488 2.650 40 0 GFABRO Cc1cccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103673 570929193 /nfs/dbraw/zinc/92/91/93/570929193.db2.gz IAJKDPGQRAJEKT-HMXCVIKNSA-N 1 0 386.536 2.709 40 0 GFABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218598454 570931620 /nfs/dbraw/zinc/93/16/20/570931620.db2.gz NHVPZIMWEBWGRF-BJLQDIEVSA-N 1 0 391.464 2.582 40 0 GFABRO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[N@@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585104875 570934262 /nfs/dbraw/zinc/93/42/62/570934262.db2.gz VCVTZHWHZILEPY-PMACEKPBSA-N 1 0 386.536 2.717 40 0 GFABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC000585106291 570936410 /nfs/dbraw/zinc/93/64/10/570936410.db2.gz ONZIJHTWSALWFT-NXHRZFHOSA-N 1 0 387.524 2.738 40 0 GFABRO COCCN1CC[C@@]2(C[N@H+](Cc3ccco3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306129920 570938732 /nfs/dbraw/zinc/93/87/32/570938732.db2.gz IQQLTRAKSMRJIT-NQIIRXRSSA-N 1 0 386.496 2.522 40 0 GFABRO CCCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000306136716 570942893 /nfs/dbraw/zinc/94/28/93/570942893.db2.gz QAZJOJBYDDPQGC-UHFFFAOYSA-N 1 0 385.487 2.786 40 0 GFABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306136302 570942911 /nfs/dbraw/zinc/94/29/11/570942911.db2.gz PPHRVOQDFNNJEP-ROUUACIJSA-N 1 0 393.516 2.574 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](CCc3ccccc3)C[C@H]1C2 ZINC000306138052 570943128 /nfs/dbraw/zinc/94/31/28/570943128.db2.gz RNUSJYDWUFQHLY-MOPGFXCFSA-N 1 0 387.487 2.877 40 0 GFABRO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@H+](CC1CC1)C[C@H]2c1cccnc1 ZINC000306140245 570944857 /nfs/dbraw/zinc/94/48/57/570944857.db2.gz UNVDHILINJPFTH-PZJWPPBQSA-N 1 0 383.517 2.750 40 0 GFABRO COCCN1CC[C@]2(C[N@H+](Cc3ccoc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306140954 570944860 /nfs/dbraw/zinc/94/48/60/570944860.db2.gz VHMMBLHRYJUDKO-WIYYLYMNSA-N 1 0 386.496 2.522 40 0 GFABRO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@@H]1C[N@@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306144178 570946343 /nfs/dbraw/zinc/94/63/43/570946343.db2.gz YYCRLPCVRVYQQC-DOTOQJQBSA-N 1 0 398.532 2.597 40 0 GFABRO CC(C)(C)OC(=O)N1CC[NH2+]C2(CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000306145392 570947102 /nfs/dbraw/zinc/94/71/02/570947102.db2.gz DDTZZNFZGVIJDQ-UHFFFAOYSA-N 1 0 389.496 2.998 40 0 GFABRO Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019210910 570960652 /nfs/dbraw/zinc/96/06/52/570960652.db2.gz DTJSXBCMEUHDJS-DLBZAZTESA-N 1 0 380.492 2.604 40 0 GFABRO Cc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)cc1C ZINC000019214170 570961328 /nfs/dbraw/zinc/96/13/28/570961328.db2.gz QSVMBVZXATYKIJ-QZTJIDSGSA-N 1 0 394.519 2.913 40 0 GFABRO Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)c4ccc(C[NH+](C)C)cc4)C3)o2)cn1 ZINC000019239164 570968392 /nfs/dbraw/zinc/96/83/92/570968392.db2.gz JQCRSEQGOGXCMP-QGZVFWFLSA-N 1 0 392.463 2.526 40 0 GFABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)c3cc4c(s3)CCCC4)C2)c2cccnc21 ZINC000019346698 570978305 /nfs/dbraw/zinc/97/83/05/570978305.db2.gz YQZBZCVATCWQSA-HNNXBMFYSA-N 1 0 395.532 2.960 40 0 GFABRO O=C(COC[C@@H]1COc2ccccc2O1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019375740 570981838 /nfs/dbraw/zinc/98/18/38/570981838.db2.gz YQMTWXNASXQSRS-RTBURBONSA-N 1 0 388.508 2.710 40 0 GFABRO COc1ccc2c(c1)C=C(CN1CCc3nc([C@H]4CCC[NH2+]4)ncc3C1)CO2 ZINC000019562266 571005925 /nfs/dbraw/zinc/00/59/25/571005925.db2.gz LNMFEQOVCGWJOU-HXUWFJFHSA-N 1 0 378.476 2.744 40 0 GFABRO C[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1Cc1c2cnc2cc(-c3cccc(F)c3)nn21 ZINC000019581741 571013779 /nfs/dbraw/zinc/01/37/79/571013779.db2.gz XHKDLNGKYJKCCU-MAUKXSAKSA-N 1 0 379.439 2.685 40 0 GFABRO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@@H+]3Cc3cnn(C)c3)c2)cn1 ZINC000019690994 571029297 /nfs/dbraw/zinc/02/92/97/571029297.db2.gz XSHZAHQTOZGEJO-OAQYLSRUSA-N 1 0 390.491 2.882 40 0 GFABRO COc1ccccc1C(=O)N1CCN(c2cc(C)nc([C@@H]3CCC[NH2+]3)c2)CC1 ZINC000019698277 571030567 /nfs/dbraw/zinc/03/05/67/571030567.db2.gz KCXRHBBBKIXRSE-IBGZPJMESA-N 1 0 380.492 2.786 40 0 GFABRO O=C(N1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2)C1(c2ccccc2F)CCCC1 ZINC000019710746 571034753 /nfs/dbraw/zinc/03/47/53/571034753.db2.gz AORYMSHTPGUESU-GOSISDBHSA-N 1 0 397.498 2.738 40 0 GFABRO C[NH+]1CCC(c2nnc3n2CCN(C(=O)CCc2c[nH]c4ccccc24)C3)CC1 ZINC000019711251 571035183 /nfs/dbraw/zinc/03/51/83/571035183.db2.gz JWMOUAKQBQYJRC-UHFFFAOYSA-N 1 0 392.507 2.544 40 0 GFABRO C[NH+]1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CCCC1)C2 ZINC000306140409 222803231 /nfs/dbraw/zinc/80/32/31/222803231.db2.gz USWWKDNKQHNCOF-UHFFFAOYSA-N 1 0 378.538 2.972 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2cc(F)ccc2F)cc(-c2ccccn2)n1 ZINC000329033800 212093099 /nfs/dbraw/zinc/09/30/99/212093099.db2.gz QWDTVLUTKVFDTE-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000329002761 212092770 /nfs/dbraw/zinc/09/27/70/212092770.db2.gz KIMGATYWALRWBM-UHFFFAOYSA-N 1 0 386.862 2.892 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2F)cc(-c2ccccn2)n1 ZINC000328970312 212091049 /nfs/dbraw/zinc/09/10/49/212091049.db2.gz DIMIDTQQXCWWKD-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO C[NH+]1CCN(CCNc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000328976785 212091008 /nfs/dbraw/zinc/09/10/08/212091008.db2.gz FPUXHXFPWNECQW-UHFFFAOYSA-N 1 0 399.848 2.897 40 0 GFABRO CS(=O)(=O)N1CCc2cc(C(=O)C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)ccc21 ZINC000012326817 221183066 /nfs/dbraw/zinc/18/30/66/221183066.db2.gz DKQDALSLAVGQMU-MAUKXSAKSA-N 1 0 376.522 2.704 40 0 GFABRO Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)c1 ZINC000012366330 221185187 /nfs/dbraw/zinc/18/51/87/221185187.db2.gz XDXMEFXISZGGRX-DETIRCLXSA-N 1 0 379.504 2.987 40 0 GFABRO C[N@H+](CCO)Cc1cc2c(-c3ccc(F)cc3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186491 221164294 /nfs/dbraw/zinc/16/42/94/221164294.db2.gz HBBXPGROAJQROC-UHFFFAOYSA-N 1 0 392.434 2.944 40 0 GFABRO Cc1c(C[N@@H+]2C[C@H](c3ccccc3)C3(C2)CCCCC3)c(=O)n(C)c(=O)n1C ZINC000012228087 221170298 /nfs/dbraw/zinc/17/02/98/221170298.db2.gz FMTZDHHVGVTVMX-HXUWFJFHSA-N 1 0 381.520 2.942 40 0 GFABRO COc1cc(C[NH+]2CCC3(CC2)OCCc2cnc(C)nc23)cc(OC)c1OC ZINC000012407118 221188771 /nfs/dbraw/zinc/18/87/71/221188771.db2.gz UVJFJQMIFSGMJJ-UHFFFAOYSA-N 1 0 399.491 2.875 40 0 GFABRO CC(=O)Nc1ccc(C[N@@H+]2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)cc1 ZINC000072389574 136169130 /nfs/dbraw/zinc/16/91/30/136169130.db2.gz LKVLJUUEFGGIMM-HNNXBMFYSA-N 1 0 395.507 2.523 40 0 GFABRO Cc1ccc(S(=O)(=O)n2c3ccccc3nc2NCC2CC[NH2+]CC2)cc1 ZINC000043220496 221948150 /nfs/dbraw/zinc/94/81/50/221948150.db2.gz IOWBUFMHRNLCGR-UHFFFAOYSA-N 1 0 384.505 2.993 40 0 GFABRO CC[NH+](CC)CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 ZINC000072339058 222230657 /nfs/dbraw/zinc/23/06/57/222230657.db2.gz PTNGMKDWGZALSA-NHCDEPBKSA-N 1 0 399.535 2.789 40 0 GFABRO CC(=O)Nc1ccc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cc1 ZINC000072339810 222230788 /nfs/dbraw/zinc/23/07/88/222230788.db2.gz GRLLADXIVIYLMG-UHFFFAOYSA-N 1 0 375.432 2.761 40 0 GFABRO Cc1ccc([C@@H]2CCCN2C(=O)C2CN(C(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC000072344551 222233596 /nfs/dbraw/zinc/23/35/96/222233596.db2.gz LBRDXZBYXKZNFQ-NRFANRHFSA-N 1 0 383.536 2.767 40 0 GFABRO O=C(N[C@@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)c1cnccn1 ZINC000096079846 222376712 /nfs/dbraw/zinc/37/67/12/222376712.db2.gz DYDJYXNEILHOJI-GOSISDBHSA-N 1 0 378.476 2.975 40 0 GFABRO CCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OC)c2)CN(C)C(=O)C1 ZINC000096113424 222381084 /nfs/dbraw/zinc/38/10/84/222381084.db2.gz VSUQLSPFBKRGHL-RTBURBONSA-N 1 0 389.540 2.670 40 0 biogenic,in-vitro GFABRO Cc1noc(C)c1C(=O)N1CCC2(C[C@@H]([N@H+](C)Cc3cccnc3)CO2)CC1 ZINC000096220885 222397989 /nfs/dbraw/zinc/39/79/89/222397989.db2.gz BBMNTVDYPGICQV-GOSISDBHSA-N 1 0 384.480 2.582 40 0 GFABRO Cc1nn(C)cc1-c1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[nH]n1 ZINC000019718738 570209923 /nfs/dbraw/zinc/20/99/23/570209923.db2.gz YRYJRBVCYYVURZ-UHFFFAOYSA-N 1 0 378.480 2.644 40 0 GFABRO O=C(c1ccc(F)cc1)N1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096239888 570222043 /nfs/dbraw/zinc/22/20/43/570222043.db2.gz QETWYIZJEABVOR-UHFFFAOYSA-N 1 0 383.467 2.976 40 0 GFABRO COc1ccc(C[N@H+](C)[C@@H]2CN(Cc3ccc(OCCF)cc3)C[C@H]2O)cc1 ZINC000585269636 570237344 /nfs/dbraw/zinc/23/73/44/570237344.db2.gz FCDINDUPUVRUCJ-FGZHOGPDSA-N 1 0 388.483 2.721 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020636736 570273764 /nfs/dbraw/zinc/27/37/64/570273764.db2.gz PZPLRGQCASCTNS-MOPGFXCFSA-N 1 0 395.434 2.590 40 0 GFABRO CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C[NH+]2CCCCC2)CC1 ZINC000100750084 570276572 /nfs/dbraw/zinc/27/65/72/570276572.db2.gz MJZOLIIROKGTRO-JQVVWYNYSA-N 1 0 386.540 2.667 40 0 GFABRO COc1cc(CNCC[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)cc1 ZINC000022075094 570321265 /nfs/dbraw/zinc/32/12/65/570321265.db2.gz IPHJFHXJEDOLIZ-OAHLLOKOSA-N 1 0 378.900 2.988 40 0 GFABRO CC(C)(C)c1nccc(C[C@H]2[C@H]([NH2+]CC3CCCCC3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382195 570353262 /nfs/dbraw/zinc/35/32/62/570353262.db2.gz JXBFJFLNIDUJBR-UAFMIMERSA-N 1 0 375.557 2.844 40 0 biogenic,in-vitro GFABRO CC(C)c1nccc(C[C@H]2[C@H]([NH2+]C3CCC(F)(F)CC3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382164 570353337 /nfs/dbraw/zinc/35/33/37/570353337.db2.gz IJIRLUXFRATRKI-BRSBDYLESA-N 1 0 383.483 2.668 40 0 biogenic,in-vitro GFABRO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1ccccc1 ZINC000257240689 570768030 /nfs/dbraw/zinc/76/80/30/570768030.db2.gz HURXORKBQCVVOE-CZYKHXBRSA-N 1 0 398.478 2.991 40 0 GFABRO Cc1c[nH]c(-c2cc(C)nc(CC3CCN(C(=O)C4CC[NH+](C)CC4)CC3)n2)n1 ZINC000257262365 570771906 /nfs/dbraw/zinc/77/19/06/570771906.db2.gz LLDJQGOQHXIACG-UHFFFAOYSA-N 1 0 396.539 2.606 40 0 GFABRO Cc1c(C(=O)N2CCCC[C@@H]3[N@H+](C)CCC[C@@]32C)sc2ncn(C)c(=O)c12 ZINC000257271209 570773621 /nfs/dbraw/zinc/77/36/21/570773621.db2.gz MXIBMHGZEWACHM-XOBRGWDASA-N 1 0 388.537 2.782 40 0 GFABRO Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCc2nc3cc(Cl)ccc3[nH]2)[C@H]1O ZINC000257287113 570775864 /nfs/dbraw/zinc/77/58/64/570775864.db2.gz POOUFMCOARPNKA-IDHHARJASA-N 1 0 387.871 2.535 40 0 GFABRO CCn1c2ccc(C[N@@H+]3CC[C@H]4[C@H]3CCCCC(=O)N4C)cc2n(CC)c1=O ZINC000257303810 570778619 /nfs/dbraw/zinc/77/86/19/570778619.db2.gz SIUSYGKXCLBJBD-ZWKOTPCHSA-N 1 0 384.524 2.818 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)NCC[NH+]2CCCCC2)[C@@H]1c1ccccc1F ZINC000257313276 570779802 /nfs/dbraw/zinc/77/98/02/570779802.db2.gz URQFUXRMTBRMTE-XLIONFOSSA-N 1 0 375.488 2.727 40 0 GFABRO O=C(C[N@H+]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NC1CC1 ZINC000257326558 570782031 /nfs/dbraw/zinc/78/20/31/570782031.db2.gz WXQHLNIHCNSXNR-LBPRGKRZSA-N 1 0 380.370 2.823 40 0 GFABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000119910595 570924711 /nfs/dbraw/zinc/92/47/11/570924711.db2.gz OBOKAMDNZPWDRN-NSHDSACASA-N 1 0 377.794 2.898 40 0 GFABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218526910 570924922 /nfs/dbraw/zinc/92/49/22/570924922.db2.gz DFNOHQDZDNWXQD-ZIFCJYIRSA-N 1 0 393.892 2.788 40 0 GFABRO c1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019369613 570925291 /nfs/dbraw/zinc/92/52/91/570925291.db2.gz RCRASJLIYQLENX-RTWAWAEBSA-N 1 0 396.539 2.502 40 0 GFABRO COc1ncccc1C[N@@H+]1C[C@@H](c2ccnn2C(C)C)[C@]2(C1)CCCN(C)C2=O ZINC000306124094 570935660 /nfs/dbraw/zinc/93/56/60/570935660.db2.gz BFZDMBJOFHGQCF-PGRDOPGGSA-N 1 0 397.523 2.706 40 0 GFABRO O=C(c1ccc(F)cc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000585106043 570935761 /nfs/dbraw/zinc/93/57/61/570935761.db2.gz HECDLDPPMAFIQK-UXHICEINSA-N 1 0 399.510 2.669 40 0 GFABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C2 ZINC000306123748 570935770 /nfs/dbraw/zinc/93/57/70/570935770.db2.gz AVNCADMABUBCKL-WOJBJXKFSA-N 1 0 387.487 2.512 40 0 GFABRO CN1CC2(CC[NH+](Cc3ccncc3)CC2)c2nn(-c3ccccc3)cc2C1=O ZINC000306124708 570936160 /nfs/dbraw/zinc/93/61/60/570936160.db2.gz BXFIDIMMJFBVEU-UHFFFAOYSA-N 1 0 387.487 2.887 40 0 GFABRO Cn1ccnc1C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 ZINC000585109846 570938560 /nfs/dbraw/zinc/93/85/60/570938560.db2.gz ZYWISZCIOCJIFV-SXWKCWPCSA-N 1 0 394.519 2.623 40 0 GFABRO C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)C3CC(F)(F)C3)C2)OC1 ZINC000306132128 570940291 /nfs/dbraw/zinc/94/02/91/570940291.db2.gz KZPQLDUQCZQPLZ-MRXNPFEDSA-N 1 0 379.451 2.566 40 0 GFABRO COc1cccc(C[NH+]2CCC3(CCc4nnc(C(=O)NC(C)C)n4C3)CC2)c1 ZINC000306134708 570941634 /nfs/dbraw/zinc/94/16/34/570941634.db2.gz NVSTWPPOUOVSSZ-UHFFFAOYSA-N 1 0 397.523 2.654 40 0 GFABRO CC(C)N1CCc2c(c(=O)nc3n2CCC32CC[NH+](Cc3ccco3)CC2)C1 ZINC000306139956 570944269 /nfs/dbraw/zinc/94/42/69/570944269.db2.gz UFFQECUEUDUKPB-UHFFFAOYSA-N 1 0 382.508 2.540 40 0 GFABRO Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1C ZINC000019214178 570961330 /nfs/dbraw/zinc/96/13/30/570961330.db2.gz QSVMBVZXATYKIJ-ROUUACIJSA-N 1 0 394.519 2.913 40 0 GFABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)C3CC3)[nH]c(=O)c2C1 ZINC000019238657 570967955 /nfs/dbraw/zinc/96/79/55/570967955.db2.gz OYEFYPUJKICBII-QGZVFWFLSA-N 1 0 398.532 2.772 40 0 GFABRO Cn1cc(CCC(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)c2ccccc21 ZINC000019290410 570971991 /nfs/dbraw/zinc/97/19/91/570971991.db2.gz ZQEGZWRFPZIOFY-OAQYLSRUSA-N 1 0 389.503 2.910 40 0 GFABRO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1ccccc1N1CCCC1)CC2 ZINC000019349319 570978869 /nfs/dbraw/zinc/97/88/69/570978869.db2.gz HTOWYPFMKXFOGN-UHFFFAOYSA-N 1 0 387.487 2.990 40 0 GFABRO O=C(C[NH+]1CCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 ZINC000019369312 570980635 /nfs/dbraw/zinc/98/06/35/570980635.db2.gz MLLHJOSMVFRASU-IBGZPJMESA-N 1 0 380.492 2.533 40 0 GFABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 ZINC000019371597 570981011 /nfs/dbraw/zinc/98/10/11/570981011.db2.gz MVCGPTKTIMCOBS-SFHVURJKSA-N 1 0 386.565 2.803 40 0 GFABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3ccccc3F)[nH]c(=O)c2C1 ZINC000019448279 570984406 /nfs/dbraw/zinc/98/44/06/570984406.db2.gz PJRTXSDZABUZAG-LJQANCHMSA-N 1 0 398.482 2.582 40 0 GFABRO C[C@@H]1CCc2onc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CC[N@@H+](C)C5)C3)c2C1 ZINC000019497119 570989802 /nfs/dbraw/zinc/98/98/02/570989802.db2.gz WTRUZKVVUMXTPP-HUUCEWRRSA-N 1 0 395.507 2.597 40 0 GFABRO CCc1nccn1CC(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019523485 570995974 /nfs/dbraw/zinc/99/59/74/570995974.db2.gz NRHJDJFQQZVERP-UHFFFAOYSA-N 1 0 382.508 2.768 40 0 GFABRO CCCN1CCN(C(=O)C[NH3+])C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O ZINC000585183608 571000509 /nfs/dbraw/zinc/00/05/09/571000509.db2.gz MNLYPVVGMZKWMC-LJQANCHMSA-N 1 0 397.494 2.691 40 0 GFABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCC[N@H+](C)C4)ncc3C2)n1 ZINC000019572951 571010479 /nfs/dbraw/zinc/01/04/79/571010479.db2.gz RAUMBXGHZARRDO-ZWKOTPCHSA-N 1 0 396.539 2.635 40 0 GFABRO C[NH+](C)CCn1nc([C@H]2CCN(C(=O)Cc3cccc(F)c3)C2)c2cccnc21 ZINC000019583228 571014271 /nfs/dbraw/zinc/01/42/71/571014271.db2.gz HLNUJZRIGIXBIY-KRWDZBQOSA-N 1 0 395.482 2.691 40 0 GFABRO CN(C)c1ccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019590444 571017993 /nfs/dbraw/zinc/01/79/93/571017993.db2.gz PNIGIWVIUSZDFU-QGZVFWFLSA-N 1 0 379.508 2.550 40 0 GFABRO Cc1n[nH]c(C)c1S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000019662805 571026532 /nfs/dbraw/zinc/02/65/32/571026532.db2.gz DULKQKWKEOGEES-GOSISDBHSA-N 1 0 376.526 2.778 40 0 GFABRO O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(NCC2CCOCC2)[nH]1 ZINC000019717480 571040156 /nfs/dbraw/zinc/04/01/56/571040156.db2.gz DPMUSAMCKLMOAQ-UHFFFAOYSA-N 1 0 383.496 2.795 40 0 GFABRO CN(c1cccc(NC(=S)NCCC[NH+]2CCCCCC2)c1)S(C)(=O)=O ZINC000225399840 222675051 /nfs/dbraw/zinc/67/50/51/222675051.db2.gz JYMHMTLWFLAGTG-UHFFFAOYSA-N 1 0 398.598 2.635 40 0 GFABRO CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)C[NH+]3CCCCC3)CCO2)n1 ZINC000257200198 222753400 /nfs/dbraw/zinc/75/34/00/222753400.db2.gz ACJGSFXDRBJHDY-HXUWFJFHSA-N 1 0 398.507 2.993 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2cc(F)ccc2F)cc(-c2cccnc2)n1 ZINC000329059161 212094723 /nfs/dbraw/zinc/09/47/23/212094723.db2.gz WGISRMBKBOHZMI-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc4nccnc4c2)CC3)C1 ZINC000012145355 221159188 /nfs/dbraw/zinc/15/91/88/221159188.db2.gz ZCJFXEZUKGVVIS-HNNXBMFYSA-N 1 0 390.491 2.508 40 0 GFABRO COc1cccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)c1 ZINC000012330106 221183098 /nfs/dbraw/zinc/18/30/98/221183098.db2.gz DIXBVXAXHALXCO-PMACEKPBSA-N 1 0 385.460 2.785 40 0 GFABRO Cc1cc(C[NH+]2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)oc1C ZINC000012223032 221170191 /nfs/dbraw/zinc/17/01/91/221170191.db2.gz FDXVVRVEACCBFQ-IBGZPJMESA-N 1 0 375.494 2.839 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1 ZINC000019021808 221394743 /nfs/dbraw/zinc/39/47/43/221394743.db2.gz PDGYQJLCGXUTSE-GOSISDBHSA-N 1 0 393.491 2.566 40 0 GFABRO COc1ccccc1OCC(=O)N1CCC[C@H]2[NH2+]C[C@H](c3ccc(F)cc3)[C@H]21 ZINC000019571426 221429578 /nfs/dbraw/zinc/42/95/78/221429578.db2.gz SPPROEORJOMIPG-JBYIUTFZSA-N 1 0 384.451 2.960 40 0 GFABRO c1ccc(N2CCCCC2)c(CN2CCn3c(nnc3C3CC[NH2+]CC3)C2)c1 ZINC000072372112 136169017 /nfs/dbraw/zinc/16/90/17/136169017.db2.gz XSFVQVPQZZDFOR-UHFFFAOYSA-N 1 0 380.540 2.751 40 0 GFABRO Cc1cc(Nc2cc([C@@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)nc(C)n2)n[nH]1 ZINC000072360853 222240754 /nfs/dbraw/zinc/24/07/54/222240754.db2.gz SWRXHCVAZFDEFS-QGZVFWFLSA-N 1 0 397.527 2.608 40 0 GFABRO CCOCc1ccc(C(=O)N2CCCC[C@H]2c2nnc3n2CC[N@@H+](C)C3)cc1 ZINC000072373989 222241943 /nfs/dbraw/zinc/24/19/43/222241943.db2.gz QBOFZIOUJFRCHM-SFHVURJKSA-N 1 0 383.496 2.627 40 0 GFABRO CC(=O)N1CCn2c(nnc2[C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)C1 ZINC000072372129 222242020 /nfs/dbraw/zinc/24/20/20/222242020.db2.gz IVWOFVJHEDGPLP-GOSISDBHSA-N 1 0 390.491 2.568 40 0 GFABRO C[N@H+]1CCc2nnc([C@@H]3CCCN(C(=O)C(C)(C)c4cccc(F)c4)C3)n2CC1 ZINC000072370945 222243462 /nfs/dbraw/zinc/24/34/62/222243462.db2.gz NLGNGJCSZHVKDC-MRXNPFEDSA-N 1 0 399.514 2.589 40 0 GFABRO CNc1cc(Nc2nccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)ncn1 ZINC000072377642 222244190 /nfs/dbraw/zinc/24/41/90/222244190.db2.gz KJINJSACFMMLRY-INIZCTEOSA-N 1 0 376.468 2.827 40 0 GFABRO Fc1ccc(-c2cc(C[NH2+]C[C@H]3COc4ccccc4O3)c3nnnn3c2)cc1 ZINC000072392374 222248044 /nfs/dbraw/zinc/24/80/44/222248044.db2.gz ZGVFUJBFSUKNCD-SFHVURJKSA-N 1 0 391.406 2.860 40 0 GFABRO COc1cccc(C[N@@H+]2CCCC[C@H]3CN(c4ncnc5nc[nH]c54)C[C@H]32)c1 ZINC000072399191 222253539 /nfs/dbraw/zinc/25/35/39/222253539.db2.gz SJFLLASDBHRGOA-FUHWJXTLSA-N 1 0 378.480 2.852 40 0 GFABRO Cc1ccc(C[NH+]2CCC3(CC2)CNS(=O)(=O)c2ccccc2OC3)o1 ZINC000096037115 222372786 /nfs/dbraw/zinc/37/27/86/222372786.db2.gz DBKALUOMVKUQAL-UHFFFAOYSA-N 1 0 376.478 2.541 40 0 GFABRO CCN1CC[C@@]2(CN(C(C)=O)CC23CC[NH+](Cc2ccc(F)cc2)CC3)C1=O ZINC000096036501 222373263 /nfs/dbraw/zinc/37/32/63/222373263.db2.gz WKLXQKGAHMHYFN-JOCHJYFZSA-N 1 0 387.499 2.509 40 0 GFABRO C[NH+](C)CCCNC(=O)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn21 ZINC000096038002 222374564 /nfs/dbraw/zinc/37/45/64/222374564.db2.gz ACMWYHYVUVZSMU-UHFFFAOYSA-N 1 0 388.475 2.869 40 0 GFABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C[NH3+])CO)cc1 ZINC000242543434 553087803 /nfs/dbraw/zinc/08/78/03/553087803.db2.gz JZWLTCJZSATAHA-GUDVDZBRSA-N 1 0 379.909 2.780 40 0 GFABRO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@H](C)CO)[nH+]1 ZINC000329010111 563469910 /nfs/dbraw/zinc/46/99/10/563469910.db2.gz LZCVGQRPGHLYGX-GFCCVEGCSA-N 1 0 391.313 3.157 40 0 GFABRO CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(NCCO)[nH+]1 ZINC000329070159 563472173 /nfs/dbraw/zinc/47/21/73/563472173.db2.gz ZDYAEUFOQBYHLV-UHFFFAOYSA-N 1 0 391.313 3.329 40 0 GFABRO CN(C[C@H]1COc2ccccc2O1)C(=O)CC1CC[NH+](Cc2ccccn2)CC1 ZINC000019748761 570214645 /nfs/dbraw/zinc/21/46/45/570214645.db2.gz DIYYAECMZYEHSZ-FQEVSTJZSA-N 1 0 395.503 2.982 40 0 GFABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCC4CC4)nc23)cc1 ZINC000096244071 570223813 /nfs/dbraw/zinc/22/38/13/570223813.db2.gz XVVYLVXFSBIPGI-QFIPXVFZSA-N 1 0 380.492 2.981 40 0 GFABRO CN(C)C(=O)c1cc2c(nc1NCC1CC1)CC[N@H+](Cc1ccccn1)CC2 ZINC000096260571 570225747 /nfs/dbraw/zinc/22/57/47/570225747.db2.gz YGRRCZPODCEAKN-UHFFFAOYSA-N 1 0 379.508 2.601 40 0 GFABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2CC1(O)CCN(c2ccccc2C)CC1 ZINC000585282536 570250382 /nfs/dbraw/zinc/25/03/82/570250382.db2.gz FZSNYCIGLJMQTC-FGZHOGPDSA-N 1 0 385.552 2.802 40 0 GFABRO Cc1cc(OC[C@]2(O)COCC[N@H+](CC3(O)CCCCCC3)C2)ccc1F ZINC000585282708 570250933 /nfs/dbraw/zinc/25/09/33/570250933.db2.gz NBABSQRTGNPWJB-OAQYLSRUSA-N 1 0 381.488 2.662 40 0 GFABRO Cc1cccnc1Nc1cc([C@H]2CCN(C(=O)/C=C/C[NH+](C)C)C2)nc(C)n1 ZINC000585293274 570262642 /nfs/dbraw/zinc/26/26/42/570262642.db2.gz YYPRKLONIKQGHU-JKNJVXJCSA-N 1 0 380.496 2.666 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(C)c1 ZINC000020636889 570273856 /nfs/dbraw/zinc/27/38/56/570273856.db2.gz XOOXWDQEPNQMHK-UXHICEINSA-N 1 0 391.471 2.760 40 0 GFABRO Cc1ccc(NC(=O)C[C@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)c(F)c1 ZINC000022607416 570322874 /nfs/dbraw/zinc/32/28/74/570322874.db2.gz ZDUUTCBHQLLSEU-OAHLLOKOSA-N 1 0 382.399 2.794 40 0 GFABRO COc1ccc(CC[NH2+]Cc2cc3cccc(C)c3n3nnnc23)cc1OC ZINC000035311720 570324183 /nfs/dbraw/zinc/32/41/83/570324183.db2.gz DACDJTWFIXKBNC-UHFFFAOYSA-N 1 0 377.448 2.935 40 0 GFABRO O=C(C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccco1)C2)NCc1ccc(F)cc1 ZINC000004908212 570416918 /nfs/dbraw/zinc/41/69/18/570416918.db2.gz CESDEEBXCSJADE-YQQQUEKLSA-N 1 0 399.466 2.850 40 0 GFABRO CC1CC[NH+](CCCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 ZINC000030852411 570498546 /nfs/dbraw/zinc/49/85/46/570498546.db2.gz MMCLKYIANZYLCY-UHFFFAOYSA-N 1 0 387.933 2.563 40 0 GFABRO COc1ccc(F)cc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224801314 570531355 /nfs/dbraw/zinc/53/13/55/570531355.db2.gz QXMAXPSIEKWKJG-UHFFFAOYSA-N 1 0 378.469 2.909 40 0 GFABRO COC(=O)Cc1ccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000225232305 570558116 /nfs/dbraw/zinc/55/81/16/570558116.db2.gz USAKMDRPFRQVAO-UHFFFAOYSA-N 1 0 398.532 2.748 40 0 GFABRO CC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@H]3c4cccc(OC)c4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257200788 570760011 /nfs/dbraw/zinc/76/00/11/570760011.db2.gz AEWYPMIBGWAFKD-BJZZIADLSA-N 1 0 388.508 2.898 40 0 GFABRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257223569 570763054 /nfs/dbraw/zinc/76/30/54/570763054.db2.gz DXYNWUQHGAAKHK-YRXWBPOGSA-N 1 0 376.497 2.946 40 0 GFABRO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC000257255395 570771060 /nfs/dbraw/zinc/77/10/60/570771060.db2.gz KHHLCJRPVUWREB-INIZCTEOSA-N 1 0 393.495 2.984 40 0 GFABRO COCCOCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257261449 570772105 /nfs/dbraw/zinc/77/21/05/570772105.db2.gz LHJASKZJVBVCKD-HVJVJISESA-N 1 0 386.536 2.782 40 0 GFABRO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000257299464 570778160 /nfs/dbraw/zinc/77/81/60/570778160.db2.gz RQDTXIHHSJWHAE-JOCHJYFZSA-N 1 0 399.539 2.807 40 0 GFABRO COCC[N@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(O)cc1)CC2)C(C)C ZINC000585103459 570932101 /nfs/dbraw/zinc/93/21/01/570932101.db2.gz GKVZKSLAZRZLDP-HXUWFJFHSA-N 1 0 390.524 2.760 40 0 GFABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccccc3)C[C@@H]1C2 ZINC000306123747 570935630 /nfs/dbraw/zinc/93/56/30/570935630.db2.gz AVNCADMABUBCKL-VQTJNVASSA-N 1 0 387.487 2.512 40 0 GFABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 ZINC000306124772 570936233 /nfs/dbraw/zinc/93/62/33/570936233.db2.gz BZACACACWPNDCQ-GOSISDBHSA-N 1 0 392.507 2.649 40 0 GFABRO O=S1(=O)c2ccccc2O[C@@]2(CC[N@H+](CC3CC3)C2)CN1Cc1ccccn1 ZINC000306126388 570936951 /nfs/dbraw/zinc/93/69/51/570936951.db2.gz DUJBVUYHNVNHAG-OAQYLSRUSA-N 1 0 399.516 2.519 40 0 GFABRO O=C1CCCN1C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)O1 ZINC000306127858 570937837 /nfs/dbraw/zinc/93/78/37/570937837.db2.gz GJFZBAIHATXNTA-KNQAVFIVSA-N 1 0 383.492 2.540 40 0 GFABRO C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnnc1)Cc1sc(-c3ccccc3)nc12 ZINC000306128436 570937965 /nfs/dbraw/zinc/93/79/65/570937965.db2.gz HAHRJJCEBVKIPS-NRFANRHFSA-N 1 0 391.500 2.829 40 0 GFABRO Cc1ccc(C[NH+]2CCN(c3nccn4c(-c5cnn(C)c5)cnc34)CC2)s1 ZINC000306135370 570941993 /nfs/dbraw/zinc/94/19/93/570941993.db2.gz OOXLRMQVCHEWSE-UHFFFAOYSA-N 1 0 393.520 2.822 40 0 GFABRO CCCCS(=O)(=O)N1CCC2(CC1)C[N@H+](CC1CC1)Cc1cccnc12 ZINC000306137840 570943402 /nfs/dbraw/zinc/94/34/02/570943402.db2.gz RHUKTCUVDYGOKN-UHFFFAOYSA-N 1 0 377.554 2.771 40 0 GFABRO O=S1(=O)c2ccccc2O[C@@]2(CC[N@@H+](C3CCC3)C2)CN1Cc1ccccn1 ZINC000306140947 570944837 /nfs/dbraw/zinc/94/48/37/570944837.db2.gz VHJWECJXEQEKLI-OAQYLSRUSA-N 1 0 399.516 2.662 40 0 GFABRO Cc1ccc2c(cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[NH2+]C4)n2C)c1 ZINC000019221213 570962796 /nfs/dbraw/zinc/96/27/96/570962796.db2.gz DCQDDINRGKPDJD-IBGZPJMESA-N 1 0 375.476 2.900 40 0 GFABRO O=C(c1cc(C2CC[NH+](Cc3cccc(F)c3)CC2)no1)N1CCC[C@H](O)C1 ZINC000019293794 570973179 /nfs/dbraw/zinc/97/31/79/570973179.db2.gz BGMQHBFNTMPFGB-SFHVURJKSA-N 1 0 387.455 2.790 40 0 GFABRO O=C(COc1ccc(F)cc1F)N1CCCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019293072 570973252 /nfs/dbraw/zinc/97/32/52/570973252.db2.gz GLJSETZCPDXQRP-QGZVFWFLSA-N 1 0 388.418 2.533 40 0 GFABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)c2cccnc21 ZINC000019346691 570978256 /nfs/dbraw/zinc/97/82/56/570978256.db2.gz XXGLZMQMWILGQB-INIZCTEOSA-N 1 0 397.910 2.992 40 0 GFABRO O=C(C[NH+]1CCCC1)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 ZINC000019369309 570980665 /nfs/dbraw/zinc/98/06/65/570980665.db2.gz MLLHJOSMVFRASU-LJQANCHMSA-N 1 0 380.492 2.533 40 0 GFABRO O=C(NCc1ccccn1)c1cc(C2CC[NH+](Cc3ccccn3)CC2)no1 ZINC000019401944 570982921 /nfs/dbraw/zinc/98/29/21/570982921.db2.gz CDIGHUUJDJGIII-UHFFFAOYSA-N 1 0 377.448 2.774 40 0 GFABRO CC(C)Oc1ccc(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc1 ZINC000019450682 570985110 /nfs/dbraw/zinc/98/51/10/570985110.db2.gz MWPQHNCRCVRUIE-UHFFFAOYSA-N 1 0 391.475 2.615 40 0 GFABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCCC2)n1 ZINC000019527167 570997785 /nfs/dbraw/zinc/99/77/85/570997785.db2.gz KXVMXQXPWOBIJM-OAQYLSRUSA-N 1 0 380.540 2.958 40 0 GFABRO CCN1CCN(C(=O)C[NH2+]C)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183565 571000576 /nfs/dbraw/zinc/00/05/76/571000576.db2.gz AYLFEHVRCIOULL-LJQANCHMSA-N 1 0 397.494 2.562 40 0 GFABRO CCCN1CCN(C(=O)C[NH3+])C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183640 571001211 /nfs/dbraw/zinc/00/12/11/571001211.db2.gz XQFGLQOGSWLPRI-OAQYLSRUSA-N 1 0 393.531 2.860 40 0 GFABRO COc1ccc(CCC(=O)N2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)cc1 ZINC000019554569 571002526 /nfs/dbraw/zinc/00/25/26/571002526.db2.gz XXKHXARKRLPAQA-HXUWFJFHSA-N 1 0 380.492 2.817 40 0 GFABRO Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCC[N@H+](C)C4)ncc3C2)n1 ZINC000019572953 571010677 /nfs/dbraw/zinc/01/06/77/571010677.db2.gz RAUMBXGHZARRDO-QZTJIDSGSA-N 1 0 396.539 2.635 40 0 GFABRO COc1ccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@@H]4N2C(=O)C[NH+](C)C)cc1 ZINC000019581738 571013650 /nfs/dbraw/zinc/01/36/50/571013650.db2.gz SMXABMFKUMWJRQ-BEFAXECRSA-N 1 0 391.475 2.555 40 0 GFABRO C[NH+]1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 ZINC000019588266 571015814 /nfs/dbraw/zinc/01/58/14/571015814.db2.gz ROWHJXWETCNCJK-UHFFFAOYSA-N 1 0 379.508 2.588 40 0 GFABRO C[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)[NH+]1CCCC1 ZINC000019655148 571023313 /nfs/dbraw/zinc/02/33/13/571023313.db2.gz BPBUDVVOQHHNQX-CQSZACIVSA-N 1 0 384.446 2.917 40 0 GFABRO CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CC[N@H+](CCc1ccccc1)C2 ZINC000019708708 571033255 /nfs/dbraw/zinc/03/32/55/571033255.db2.gz SWISFKFOTDJDHC-LJQANCHMSA-N 1 0 393.535 2.845 40 0 GFABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@H]1c1nnc2n1CC[N@@H+](C)CC2 ZINC000019710765 571034686 /nfs/dbraw/zinc/03/46/86/571034686.db2.gz NCFQARNXVBHHSG-KRWDZBQOSA-N 1 0 396.470 2.672 40 0 GFABRO C[N@@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc4ccc(Cl)cc4[nH]2)C3)C1 ZINC000019711008 571035074 /nfs/dbraw/zinc/03/50/74/571035074.db2.gz UTHIOONBXPXGNN-AWEZNQCLSA-N 1 0 398.898 2.878 40 0 GFABRO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCC2(CC1)NC(=O)c1ccccc1N2 ZINC000012117908 221151700 /nfs/dbraw/zinc/15/17/00/221151700.db2.gz DECHSRUHBBSUKW-UHFFFAOYSA-N 1 0 394.475 2.663 40 0 GFABRO Cc1cc2c(cc1C[N@@H+]1CCc3nc(-c4cccnc4)[nH]c(=O)c3C1)OCO2 ZINC000012122158 221154062 /nfs/dbraw/zinc/15/40/62/221154062.db2.gz NKXYVSJKZSBZOQ-UHFFFAOYSA-N 1 0 376.416 2.840 40 0 GFABRO CN(CC[NH+](C)C)c1nc(N2CCCC2)nc2c1CN(Cc1ccccc1)CC2 ZINC000012325503 221182858 /nfs/dbraw/zinc/18/28/58/221182858.db2.gz BZYWHMMAETUHSL-UHFFFAOYSA-N 1 0 394.567 2.633 40 0 GFABRO COc1ccccc1O[C@H](C)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019078800 221395665 /nfs/dbraw/zinc/39/56/65/221395665.db2.gz FSUXKVBEFDDMMY-CRAIPNDOSA-N 1 0 396.491 2.604 40 0 GFABRO Cc1cccc(OC(C)(C)C(=O)N2CCc3nnc([C@@H]4CCC[NH2+]4)n3CC2)c1C ZINC000019706431 221443032 /nfs/dbraw/zinc/44/30/32/221443032.db2.gz OZRFJQYPNLZBTD-KRWDZBQOSA-N 1 0 397.523 2.562 40 0 GFABRO Cc1cc(=O)oc2cc(OCC(=O)N3C[C@H]4C[NH2+]C[C@H]4c4ccccc43)ccc12 ZINC000096157024 136184764 /nfs/dbraw/zinc/18/47/64/136184764.db2.gz RYCBEPISICHVOH-DNVCBOLYSA-N 1 0 390.439 2.830 40 0 GFABRO COc1cccc(C[N@@H+]2C[C@H]3CCC[C@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c1 ZINC000072343005 222232011 /nfs/dbraw/zinc/23/20/11/222232011.db2.gz VAVFHSYGOBHXAC-PERKRYKHSA-N 1 0 399.491 2.622 40 0 GFABRO CC(=O)Nc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)C(C)(C)[NH3+])C2)cc1 ZINC000072363056 222240868 /nfs/dbraw/zinc/24/08/68/222240868.db2.gz GTMIRHFQSQOGEQ-HNNXBMFYSA-N 1 0 397.479 2.671 40 0 GFABRO C[NH+]1CCC(CNC(=O)[C@]2(Cc3cc(-c4ccccc4)no3)CCCO2)CC1 ZINC000072371180 222242542 /nfs/dbraw/zinc/24/25/42/222242542.db2.gz BGJSZKIGWNYAKK-JOCHJYFZSA-N 1 0 383.492 2.891 40 0 GFABRO O=S1(=O)[C@@H]2CC[N@H+](Cc3cccnc3)CC[C@@H]2CN1CCc1ccccc1 ZINC000096145489 222390259 /nfs/dbraw/zinc/39/02/59/222390259.db2.gz XJFSLUMVSOOIHM-NHCUHLMSSA-N 1 0 385.533 2.550 40 0 GFABRO O=S(=O)(c1ccccc1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCOCC1)C2 ZINC000096215405 222398790 /nfs/dbraw/zinc/39/87/90/222398790.db2.gz ZMERTIOPMNLXGM-FQEVSTJZSA-N 1 0 378.538 2.590 40 0 GFABRO COCC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228766 222399579 /nfs/dbraw/zinc/39/95/79/222399579.db2.gz WNEAUELQJMHAMW-HSZRJFAPSA-N 1 0 397.519 2.678 40 0 GFABRO COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000109423644 536614825 /nfs/dbraw/zinc/61/48/25/536614825.db2.gz OSKZQKCNYMRNRX-UHFFFAOYSA-N 1 0 389.521 2.865 40 0 GFABRO COc1cc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)cc(OC)c1 ZINC000225216085 553058703 /nfs/dbraw/zinc/05/87/03/553058703.db2.gz YDDGTNJGGPIJKB-UHFFFAOYSA-N 1 0 381.567 2.914 40 0 GFABRO CO[C@@H]1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@@]12CCCO2 ZINC000257215290 553152747 /nfs/dbraw/zinc/15/27/47/553152747.db2.gz CPMCCBSXOJXFFU-WBVHZDCISA-N 1 0 383.286 2.658 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2cccnc2)n1 ZINC000329052469 570215211 /nfs/dbraw/zinc/21/52/11/570215211.db2.gz VBGIAOMUHCUVAL-UHFFFAOYSA-N 1 0 386.862 2.892 40 0 GFABRO COc1cc2c(cc1OC)CN(c1cc(NCCCO)[nH+]c(C(C)C)n1)CC2 ZINC000329069791 570216804 /nfs/dbraw/zinc/21/68/04/570216804.db2.gz ZAZHQGAIFCPISK-UHFFFAOYSA-N 1 0 386.496 2.974 40 0 GFABRO Cc1nc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763209 570217431 /nfs/dbraw/zinc/21/74/31/570217431.db2.gz UIHKILQLQVEVHI-GOSISDBHSA-N 1 0 382.512 2.524 40 0 GFABRO Cc1ccc(C[N@H+]2CCc3cc(C(=O)N4CCCC4)c(N(C)C)nc3CC2)o1 ZINC000096260381 570225349 /nfs/dbraw/zinc/22/53/49/570225349.db2.gz VVJLNXYIBJDQMJ-UHFFFAOYSA-N 1 0 382.508 2.886 40 0 GFABRO O=S1(=O)CC[C@@H](N(CC[NH2+]Cc2cccc(F)c2)Cc2ccc(F)cc2)C1 ZINC000575420022 570307388 /nfs/dbraw/zinc/30/73/88/570307388.db2.gz DHQIZXGJYGQRKN-HXUWFJFHSA-N 1 0 394.487 2.744 40 0 GFABRO Cc1ccc(F)c(C[NH+]2CCC3(CC2)C[C@H](NS(=O)(=O)C2CC2)CCO3)c1 ZINC000108533687 570313072 /nfs/dbraw/zinc/31/30/72/570313072.db2.gz VSTYXIFRMWVEKS-QGZVFWFLSA-N 1 0 396.528 2.730 40 0 GFABRO COc1cccc([C@@H](CNC(=O)[C@H](C)NC(=O)/C=C/c2ccccc2)[NH+](C)C)c1 ZINC000047681732 570410737 /nfs/dbraw/zinc/41/07/37/570410737.db2.gz XXLWZPKHPDCLJA-GIXOBGAESA-N 1 0 395.503 2.632 40 0 GFABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 ZINC000223254699 570453446 /nfs/dbraw/zinc/45/34/46/570453446.db2.gz WHJNHCBANGPUCN-UXHICEINSA-N 1 0 392.532 2.801 40 0 GFABRO COc1ccc(CC[C@H](C)[NH2+]C[C@H](O)c2ccc([O-])c([S@](C)=O)c2)cc1 ZINC000005735012 570454009 /nfs/dbraw/zinc/45/40/09/570454009.db2.gz PAQZZCOZHPGCFW-RWQSDXQISA-N 1 0 377.506 2.783 40 0 in-man GFABRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1 ZINC000004907520 570647387 /nfs/dbraw/zinc/64/73/87/570647387.db2.gz OMFCOUGPUWOOPU-MRXNPFEDSA-N 1 0 394.479 2.624 40 0 GFABRO COCC[N@H+](C)C[C@@H]1CO[C@]2(C1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000247973662 570718261 /nfs/dbraw/zinc/71/82/61/570718261.db2.gz ICOWWPUUQLPLAF-JPYJTQIMSA-N 1 0 397.519 2.824 40 0 GFABRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000257337975 570784188 /nfs/dbraw/zinc/78/41/88/570784188.db2.gz YVGOOYIXURJGHG-BDXSIMOUSA-N 1 0 380.460 2.695 40 0 GFABRO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCCN2C(=O)CCC(=O)N(C)C)CC1 ZINC000585100711 570925339 /nfs/dbraw/zinc/92/53/39/570925339.db2.gz UKRVQQIEBXUZRS-OAQYLSRUSA-N 1 0 390.528 2.507 40 0 GFABRO C[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1ccccc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585105106 570934248 /nfs/dbraw/zinc/93/42/48/570934248.db2.gz YGRRXSUICMAAAA-ACRUOGEOSA-N 1 0 386.536 2.933 40 0 GFABRO Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@@H](C)C1)CC1(CC[NH+](C)CC1)O2 ZINC000019218504 570962369 /nfs/dbraw/zinc/96/23/69/570962369.db2.gz QLHMGBZXZRZHAA-GOSISDBHSA-N 1 0 399.535 2.553 40 0 GFABRO COCCC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000019236167 570966346 /nfs/dbraw/zinc/96/63/46/570966346.db2.gz SSKWTPNWSFIBPZ-QFIPXVFZSA-N 1 0 382.508 2.891 40 0 GFABRO Cn1c(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cc2cc(F)ccc21 ZINC000019289754 570971465 /nfs/dbraw/zinc/97/14/65/570971465.db2.gz ZVKCUKIJZOUHOO-GOSISDBHSA-N 1 0 379.439 2.730 40 0 GFABRO Cn1cc(C[NH+]2CCC(O)(Cn3cccc4cc(C(F)(F)F)nc3-4)CC2)cn1 ZINC000019290641 570971979 /nfs/dbraw/zinc/97/19/79/570971979.db2.gz CSCODMREHUDBIK-UHFFFAOYSA-N 1 0 393.413 2.767 40 0 GFABRO c1cnn(-c2ccc(C[N@@H+](CCCN3CCOCC3)Cc3cccnc3)cc2)c1 ZINC000019338578 570976546 /nfs/dbraw/zinc/97/65/46/570976546.db2.gz UBSKQKYRCVCSEF-UHFFFAOYSA-N 1 0 391.519 2.992 40 0 GFABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1)c1ccccn1 ZINC000019400503 570982534 /nfs/dbraw/zinc/98/25/34/570982534.db2.gz KURHUPKLZRHODK-WAOWUJCRSA-N 1 0 380.492 2.696 40 0 GFABRO C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CC[N@@H+](C)C5)C3)ccc2O1 ZINC000019497925 570990221 /nfs/dbraw/zinc/99/02/21/570990221.db2.gz SHPAOOXBTXFXTM-NVXWUHKLSA-N 1 0 392.503 2.808 40 0 GFABRO CCCN1CCN(C(=O)C[NH3+])C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O ZINC000585183607 571000581 /nfs/dbraw/zinc/00/05/81/571000581.db2.gz MNLYPVVGMZKWMC-IBGZPJMESA-N 1 0 397.494 2.691 40 0 GFABRO Cc1nn([C@@H](C)CC(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)c(C)c1C ZINC000019556112 571003435 /nfs/dbraw/zinc/00/34/35/571003435.db2.gz KSYQIOFEOQUQPE-AWEZNQCLSA-N 1 0 396.539 2.601 40 0 GFABRO C[N@@H+]1CCc2nc([C@@H]3CCCCN3Cc3ccc4c(c3)OCCO4)ncc2C1 ZINC000019590336 571017498 /nfs/dbraw/zinc/01/74/98/571017498.db2.gz OUDRCGKXRVVLGI-IBGZPJMESA-N 1 0 380.492 2.963 40 0 GFABRO CN(C)c1ccc2cc(C(=O)N3CCC(CC[NH+]4CCOCC4)CC3)[nH]c2c1 ZINC000019656444 571023324 /nfs/dbraw/zinc/02/33/24/571023324.db2.gz XIVYZQWMADPHNF-UHFFFAOYSA-N 1 0 384.524 2.808 40 0 GFABRO COc1ccc([C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C2CC2)cc1 ZINC000019662553 571026719 /nfs/dbraw/zinc/02/67/19/571026719.db2.gz ZVOHOIUUVRKVQS-NRFANRHFSA-N 1 0 380.492 2.723 40 0 GFABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCn2c(nnc2[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000019710990 571034539 /nfs/dbraw/zinc/03/45/39/571034539.db2.gz PSQIZKMVIHAZAX-CQSZACIVSA-N 1 0 396.470 2.672 40 0 GFABRO COc1ccc(-c2cc(C(=O)N3CCC([NH+]4CCCC4)CC3)[nH]n2)c(OC)c1 ZINC000019716298 571038291 /nfs/dbraw/zinc/03/82/91/571038291.db2.gz CAKFQYYLETYZKT-UHFFFAOYSA-N 1 0 384.480 2.794 40 0 GFABRO CCc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328979984 212092206 /nfs/dbraw/zinc/09/22/06/212092206.db2.gz GJUASPSGXQEUEL-LJQANCHMSA-N 1 0 398.507 2.817 40 0 GFABRO C[NH+](C)CCNc1nc(Nc2c(F)cccc2Cl)cc(-c2ccncc2)n1 ZINC000328982085 212092212 /nfs/dbraw/zinc/09/22/12/212092212.db2.gz GXYCHUPIIKSOMK-UHFFFAOYSA-N 1 0 386.862 2.892 40 0 GFABRO c1cc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CCCCC3)n2)ccn1 ZINC000329002346 212091849 /nfs/dbraw/zinc/09/18/49/212091849.db2.gz KHPRSSCZPVZFHU-UHFFFAOYSA-N 1 0 380.540 2.929 40 0 GFABRO CC(=O)N1CCc2cc([C@H](O)C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000012146649 221159849 /nfs/dbraw/zinc/15/98/49/221159849.db2.gz NGRQSZLYZPFODB-JOCHJYFZSA-N 1 0 398.478 2.752 40 0 GFABRO CCOc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012292372 221175444 /nfs/dbraw/zinc/17/54/44/221175444.db2.gz CBAHOWOWCSFXRP-IBGZPJMESA-N 1 0 385.460 2.831 40 0 GFABRO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1 ZINC000012365922 221185222 /nfs/dbraw/zinc/18/52/22/221185222.db2.gz SXFXWQJKJNUXOK-XEYRCQSKSA-N 1 0 380.492 2.912 40 0 GFABRO Cc1nccc(-c2ccc(-c3noc(C[NH2+]CCCN4CCCC4=O)n3)cc2)n1 ZINC000012185917 221164275 /nfs/dbraw/zinc/16/42/75/221164275.db2.gz CFZGNIAZABJXDM-UHFFFAOYSA-N 1 0 392.463 2.604 40 0 GFABRO CC(C)[C@H]1c2cccn2CC[N@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188582 221165519 /nfs/dbraw/zinc/16/55/19/221165519.db2.gz LWWGBHMHMNVKCK-QHCPKHFHSA-N 1 0 397.519 2.939 40 0 GFABRO COc1ccc(C[NH+]2CCC(c3ncc4c(n3)CCN(C(C)=O)C4)CC2)cc1 ZINC000019018883 221394617 /nfs/dbraw/zinc/39/46/17/221394617.db2.gz UTDUWRAMIOLJHO-UHFFFAOYSA-N 1 0 380.492 2.769 40 0 GFABRO COc1ccccc1O[C@@H](C)C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019078993 221394880 /nfs/dbraw/zinc/39/48/80/221394880.db2.gz ISWFOHMFCFPULT-MAUKXSAKSA-N 1 0 396.491 2.652 40 0 GFABRO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCc2nc(C3CC[NH+](C)CC3)ncc2C1 ZINC000019079472 221395056 /nfs/dbraw/zinc/39/50/56/221395056.db2.gz DQXAMRSTBXIHEN-OAHLLOKOSA-N 1 0 398.482 2.777 40 0 GFABRO C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H](C)Cn1cccn1)Cc1ccccc1O2 ZINC000019457652 221414941 /nfs/dbraw/zinc/41/49/41/221414941.db2.gz MOTGVCQABRXYTF-BWDFOLQRSA-N 1 0 382.508 2.841 40 0 GFABRO COc1ccc(Cl)cc1C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000019559107 221426376 /nfs/dbraw/zinc/42/63/76/221426376.db2.gz XREMMDQFRWQFQY-ZDUSSCGKSA-N 1 0 399.882 2.600 40 0 GFABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C)C3)nc(N3CCCC(C)(C)C3)c2C1 ZINC000072372182 136169006 /nfs/dbraw/zinc/16/90/06/136169006.db2.gz VTYQCEUWBNQXIL-QGZVFWFLSA-N 1 0 385.556 2.817 40 0 GFABRO COc1ccc([C@@H]2Sc3ccccc3N(CC[NH3+])C(=O)[C@@H]2OC(C)=O)cc1 ZINC000065740213 222135843 /nfs/dbraw/zinc/13/58/43/222135843.db2.gz ITPLTCJNLBCHHJ-MOPGFXCFSA-N 1 0 386.473 2.766 40 0 in-vitro GFABRO Cc1cc2c(cc1C[N@@H+]1CCc3nc(-c4ccccn4)[nH]c(=O)c3C1)OCO2 ZINC000072339900 222230426 /nfs/dbraw/zinc/23/04/26/222230426.db2.gz JKUBUSHINNTTBW-UHFFFAOYSA-N 1 0 376.416 2.840 40 0 GFABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000072346128 222233157 /nfs/dbraw/zinc/23/31/57/222233157.db2.gz LOJLYNBELQDUSS-MRXNPFEDSA-N 1 0 383.471 2.667 40 0 GFABRO O=C(c1cc(C2CCCCC2)no1)N1CCc2nnc([C@@H]3CCCC[NH2+]3)n2CC1 ZINC000072372824 222242280 /nfs/dbraw/zinc/24/22/80/222242280.db2.gz DFMGZHRPWBDVQL-INIZCTEOSA-N 1 0 398.511 2.827 40 0 GFABRO CC(=O)NCC(=O)N1CCC[C@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000072374956 222243189 /nfs/dbraw/zinc/24/31/89/222243189.db2.gz XMZCERFANUKXGR-KRWDZBQOSA-N 1 0 381.480 2.679 40 0 GFABRO C[N@@H+]1CCn2c(nnc2[C@@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)C1 ZINC000072373878 222243443 /nfs/dbraw/zinc/24/34/43/222243443.db2.gz DZMVTRJOLQZNDV-INIZCTEOSA-N 1 0 384.484 2.737 40 0 GFABRO CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3cccs3)CC2)O1 ZINC000096036764 222373279 /nfs/dbraw/zinc/37/32/79/222373279.db2.gz WWJBVHHCVMKHOR-QGZVFWFLSA-N 1 0 388.537 2.607 40 0 GFABRO CC(C)[NH+]1CCN(c2ccc3ccc(C(=O)NCC4CCOCC4)cn32)CC1 ZINC000096156084 222393573 /nfs/dbraw/zinc/39/35/73/222393573.db2.gz LVMQAZCPOPUHKV-UHFFFAOYSA-N 1 0 384.524 2.626 40 0 GFABRO COc1ncccc1C[N@@H+]1CC[C@@]2(C[C@@H](OCc3csc(C)n3)CO2)C1 ZINC000096218474 222397832 /nfs/dbraw/zinc/39/78/32/222397832.db2.gz BGLHLMKQWQPXGM-IEBWSBKVSA-N 1 0 375.494 2.805 40 0 GFABRO CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000020459558 551115667 /nfs/dbraw/zinc/11/56/67/551115667.db2.gz MNAYZDXUFJEFHC-UHFFFAOYSA-N 1 0 387.933 2.707 40 0 GFABRO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)c2cccc(I)c2)C1 ZINC000048482613 551157014 /nfs/dbraw/zinc/15/70/14/551157014.db2.gz KBXWDANGSICLBI-CHWSQXEVSA-N 1 0 386.277 2.999 40 0 GFABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C[NH3+])CO)cc1 ZINC000218566857 553053762 /nfs/dbraw/zinc/05/37/62/553053762.db2.gz JZWLTCJZSATAHA-QRVBRYPASA-N 1 0 379.909 2.780 40 0 GFABRO CC[n+]1cc(Br)cc(-c2nn3c(nnc3C(F)(F)F)s2)c1 ZINC000226774113 553062133 /nfs/dbraw/zinc/06/21/33/553062133.db2.gz SZJATCQBKQVYBI-UHFFFAOYSA-N 1 0 379.185 2.942 40 0 GFABRO Cn1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cnccn3)CC2)c2cc(F)ccc21 ZINC000019749740 570215146 /nfs/dbraw/zinc/21/51/46/570215146.db2.gz DCPVTOKUGRYXMO-KRWDZBQOSA-N 1 0 381.455 2.892 40 0 GFABRO Cc1ccc(CNc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)cc1 ZINC000329069443 570216773 /nfs/dbraw/zinc/21/67/73/570216773.db2.gz YYAQGVNYMHYBKC-UHFFFAOYSA-N 1 0 376.508 2.667 40 0 GFABRO Cc1ccc(C[N@H+]2CCc3cc(C(=O)NCC4CC4)c(N(C)C)nc3CC2)o1 ZINC000096260361 570225396 /nfs/dbraw/zinc/22/53/96/570225396.db2.gz BVUIZHVINDQJJW-UHFFFAOYSA-N 1 0 382.508 2.790 40 0 GFABRO CC(=O)N1CCC([NH+]2CCC(O)(COc3cc(C)ccc3Cl)CC2)CC1 ZINC000585280695 570249374 /nfs/dbraw/zinc/24/93/74/570249374.db2.gz AANHIMRQVZBSTK-UHFFFAOYSA-N 1 0 380.916 2.865 40 0 GFABRO Cc1cnc(Nc2cc([C@@H]3CCN(C(=O)/C=C/C[NH+](C)C)C3)nc(C)n2)s1 ZINC000585292347 570261550 /nfs/dbraw/zinc/26/15/50/570261550.db2.gz KWYROWXARLQQSF-LLYBFZRZSA-N 1 0 386.525 2.727 40 0 GFABRO COc1cccc(OC[C@H](O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000026780935 570428722 /nfs/dbraw/zinc/42/87/22/570428722.db2.gz AXAVXFQHYBOCFW-GOSISDBHSA-N 1 0 376.884 2.911 40 0 GFABRO COc1ccc(C(=O)N2CC3(C2)CC[C@H](C[NH+]2CCCCC2)CO3)cc1F ZINC000248147394 570721814 /nfs/dbraw/zinc/72/18/14/570721814.db2.gz UGWOVKKLQMEYSE-MRXNPFEDSA-N 1 0 376.472 2.941 40 0 GFABRO Cc1cc(Nc2cccc(CC3CCN(C(=O)[C@@H]4CCCC[NH2+]4)CC3)n2)n[nH]1 ZINC000257200211 570759597 /nfs/dbraw/zinc/75/95/97/570759597.db2.gz ACKLGCIYYHYWNN-SFHVURJKSA-N 1 0 382.512 2.780 40 0 GFABRO CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)n1 ZINC000257253175 570770546 /nfs/dbraw/zinc/77/05/46/570770546.db2.gz JXVLPVMBNOFLDN-LJQANCHMSA-N 1 0 384.480 2.603 40 0 GFABRO COC[C@@H](C)NC(=O)CN1CCC(c2cc(Nc3ccccn3)cc(C)[nH+]2)CC1 ZINC000257259806 570771505 /nfs/dbraw/zinc/77/15/05/570771505.db2.gz LACUKZXPOVJESI-QGZVFWFLSA-N 1 0 397.523 2.859 40 0 GFABRO CC(=O)NCc1cccc(-c2cccnc2C(=O)NCC[C@@H]2CCC[N@H+]2C)c1 ZINC000257266985 570772495 /nfs/dbraw/zinc/77/24/95/570772495.db2.gz MFKHWHYVIUGXPA-IBGZPJMESA-N 1 0 380.492 2.599 40 0 GFABRO C[NH+](C)CC(=O)N1CC[C@@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 ZINC000257313761 570780354 /nfs/dbraw/zinc/78/03/54/570780354.db2.gz UUAFHPMMILUZIX-GFCCVEGCSA-N 1 0 394.401 2.512 40 0 GFABRO Cc1nccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCc2nc3ccccc3[nH]2)[C@H]1O ZINC000257342435 570784520 /nfs/dbraw/zinc/78/45/20/570784520.db2.gz ZOPCPHITHREXDM-DBXWQHBBSA-N 1 0 381.480 2.614 40 0 GFABRO CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C[NH+]2CCCCC2)CC1 ZINC000257268045 570897022 /nfs/dbraw/zinc/89/70/22/570897022.db2.gz MJZOLIIROKGTRO-IPJJNNNSSA-N 1 0 386.540 2.667 40 0 GFABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218532086 570925489 /nfs/dbraw/zinc/92/54/89/570925489.db2.gz PKUDCTXBOKGATM-AOIWGVFYSA-N 1 0 393.892 2.788 40 0 GFABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218532247 570925551 /nfs/dbraw/zinc/92/55/51/570925551.db2.gz PKUDCTXBOKGATM-LNLFQRSKSA-N 1 0 393.892 2.788 40 0 GFABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccoc3)C[C@@H]1C2 ZINC000306126742 570937467 /nfs/dbraw/zinc/93/74/67/570937467.db2.gz FDULWWGQZVCOBF-GJZGRUSLSA-N 1 0 381.411 2.567 40 0 GFABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccs3)C[C@H]1C2 ZINC000306133257 570940749 /nfs/dbraw/zinc/94/07/49/570940749.db2.gz MGUDTYBXZFRPQL-HUUCEWRRSA-N 1 0 379.489 2.896 40 0 GFABRO CC(C)N1CC2(CC[NH+](C3CCCC3)CC2)COc2ncccc2S1(=O)=O ZINC000306134524 570941559 /nfs/dbraw/zinc/94/15/59/570941559.db2.gz NPZRFEICFREAGS-UHFFFAOYSA-N 1 0 393.553 2.898 40 0 GFABRO COc1ccc(C[NH+]2CCC3(CCc4nnc(C(=O)NC(C)C)n4C3)CC2)cc1 ZINC000306138351 570943877 /nfs/dbraw/zinc/94/38/77/570943877.db2.gz RVTHTVDMFQMYPG-UHFFFAOYSA-N 1 0 397.523 2.654 40 0 GFABRO Cc1ccccc1CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C(C)C)CC2 ZINC000019237066 570967010 /nfs/dbraw/zinc/96/70/10/570967010.db2.gz DHMATQGMYYVBSO-FQEVSTJZSA-N 1 0 394.519 2.751 40 0 GFABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21)c1ccc2c(c1)CCCC2 ZINC000019346774 570978109 /nfs/dbraw/zinc/97/81/09/570978109.db2.gz XFRJHBXKCGFUCE-LJQANCHMSA-N 1 0 389.503 2.817 40 0 GFABRO O=C([C@H]1CC[N@@H+]1C1CCCCC1)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000019374641 570981626 /nfs/dbraw/zinc/98/16/26/570981626.db2.gz DRKVSIFQKLHCON-LJQANCHMSA-N 1 0 382.508 2.568 40 0 GFABRO CCSCc1nc2c(nnn2C2CC[NH+](Cc3ccc(C)o3)CC2)c(=O)[nH]1 ZINC000019520505 570994081 /nfs/dbraw/zinc/99/40/81/570994081.db2.gz RRUOIABMZSGWAB-UHFFFAOYSA-N 1 0 388.497 2.919 40 0 GFABRO COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc2c1OCO2 ZINC000019549978 571000405 /nfs/dbraw/zinc/00/04/05/571000405.db2.gz SALQQWIXTHOBNE-BEFAXECRSA-N 1 0 390.386 2.812 40 0 GFABRO COc1cc2c(cc1OC)[C@H](c1cc3cc4c(cc3[nH]c1=O)OCO4)[NH2+]CC2 ZINC000019550704 571000956 /nfs/dbraw/zinc/00/09/56/571000956.db2.gz BABRKXAUXXTHBB-HXUWFJFHSA-N 1 0 380.400 2.509 40 0 GFABRO COc1ccccc1C(=O)N1CC[C@@H](c2nn(CC[NH+](C)C)c3ncccc23)C1 ZINC000019583261 571014186 /nfs/dbraw/zinc/01/41/86/571014186.db2.gz QBWKIRRXOWIIEI-MRXNPFEDSA-N 1 0 393.491 2.631 40 0 GFABRO C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2S(=O)(=O)N1CCCC1 ZINC000019589184 571016224 /nfs/dbraw/zinc/01/62/24/571016224.db2.gz WBROGEJYPGVXJC-VAMGGRTRSA-N 1 0 377.554 2.669 40 0 GFABRO COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c1 ZINC000019590430 571018069 /nfs/dbraw/zinc/01/80/69/571018069.db2.gz CQACSZQEPFLLJC-OAHLLOKOSA-N 1 0 396.491 2.502 40 0 GFABRO Cc1nccn1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)nc(C)n3C)C1 ZINC000019658007 571024445 /nfs/dbraw/zinc/02/44/45/571024445.db2.gz UECZSHHQJNQWLE-QGZVFWFLSA-N 1 0 380.496 2.737 40 0 GFABRO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@@H+]3Cc3cnn(C)c3)c2)cn1 ZINC000019690993 571029150 /nfs/dbraw/zinc/02/91/50/571029150.db2.gz XSHZAHQTOZGEJO-NRFANRHFSA-N 1 0 390.491 2.882 40 0 GFABRO CN(C)c1ncc(-c2ccccc2F)c([C@H]2CCCN(C(=O)C[NH+](C)C)C2)n1 ZINC000019694212 571029545 /nfs/dbraw/zinc/02/95/45/571029545.db2.gz YUFRBTCEHGFJFZ-HNNXBMFYSA-N 1 0 385.487 2.616 40 0 GFABRO Cn1cc(-c2cc(NC[C@@H](c3ccc(F)cc3)[NH+]3CCCC3)nc(N)n2)cn1 ZINC000019718041 571041189 /nfs/dbraw/zinc/04/11/89/571041189.db2.gz HZZDJXRHZYKOKA-SFHVURJKSA-N 1 0 381.459 2.847 40 0 GFABRO Cc1ccc(Nc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)cc1F ZINC000328965318 231046639 /nfs/dbraw/zinc/04/66/39/231046639.db2.gz CDABFVDDXMKRFB-UHFFFAOYSA-N 1 0 380.471 2.937 40 0 GFABRO C[NH+](C)CCCNc1nc(NCc2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000328982764 212091936 /nfs/dbraw/zinc/09/19/36/212091936.db2.gz HBQRHXJKTUFJDF-UHFFFAOYSA-N 1 0 387.837 2.968 40 0 GFABRO CC(=O)Nc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc1 ZINC000012121979 221153911 /nfs/dbraw/zinc/15/39/11/221153911.db2.gz FIPKIBOZZCLYJZ-UHFFFAOYSA-N 1 0 375.432 2.761 40 0 GFABRO COc1ccc(OC)c2[nH]c(=O)c(C[NH2+]CCc3cccc(OC)c3OC)cc12 ZINC000013998911 221296297 /nfs/dbraw/zinc/29/62/97/221296297.db2.gz FAFHTHBTHFUDQS-UHFFFAOYSA-N 1 0 398.459 2.895 40 0 GFABRO CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NC2CC2)no1)Cc1ccccc1 ZINC000015673533 221339178 /nfs/dbraw/zinc/33/91/78/221339178.db2.gz KHKSGHZDUGPQFZ-OALUTQOASA-N 1 0 396.535 2.744 40 0 biogenic,in-vitro GFABRO CC(C)(C)Nc1c(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)[nH+]c2ccccn21 ZINC000019083116 221396778 /nfs/dbraw/zinc/39/67/78/221396778.db2.gz UQOSUPKUBRVJDT-HNNXBMFYSA-N 1 0 383.496 2.529 40 0 GFABRO C[C@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)[NH+]1CCCC1 ZINC000019080239 221397124 /nfs/dbraw/zinc/39/71/24/221397124.db2.gz ACZNJOWTDHNDEX-OAHLLOKOSA-N 1 0 396.520 2.669 40 0 GFABRO [NH3+][C@H](C(=O)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1)c1ccccc1 ZINC000019369138 221411557 /nfs/dbraw/zinc/41/15/57/221411557.db2.gz CJQYSBQCACENKT-IBGZPJMESA-N 1 0 398.894 2.743 40 0 GFABRO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096050141 136183348 /nfs/dbraw/zinc/18/33/48/136183348.db2.gz KTNTXKVXEHAHGF-OAQYLSRUSA-N 1 0 383.517 2.896 40 0 GFABRO Cc1ccc(NC(=O)C[C@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)c(C)c1 ZINC000022607408 221563703 /nfs/dbraw/zinc/56/37/03/221563703.db2.gz YREZKVCYESJWLS-MRXNPFEDSA-N 1 0 378.436 2.963 40 0 GFABRO CC[NH+](CC)CCCNC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 ZINC000072339059 222229968 /nfs/dbraw/zinc/22/99/68/222229968.db2.gz PTNGMKDWGZALSA-PSHPWPFNSA-N 1 0 399.535 2.789 40 0 GFABRO COc1ccccc1[C@@]1(O)CCC[C@H]2C[N@H+](Cc3cnc(N(C)C)nc3)C[C@H]21 ZINC000072340986 222231129 /nfs/dbraw/zinc/23/11/29/222231129.db2.gz YYVYQVXDOZCAFN-KPLVRAHFSA-N 1 0 382.508 2.671 40 0 GFABRO COCc1cc(CN2CCn3c(nnc3[C@H]3CCC[NH2+]C3)C2)ccc1OC(C)C ZINC000072372152 222242922 /nfs/dbraw/zinc/24/29/22/222242922.db2.gz QIPWTYOILAUJRX-SFHVURJKSA-N 1 0 399.539 2.695 40 0 GFABRO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)cc(OC)c1OC ZINC000072372991 222243131 /nfs/dbraw/zinc/24/31/31/222243131.db2.gz XYYPXKBNHJFUIC-LSDHHAIUSA-N 1 0 385.464 2.648 40 0 GFABRO C[N@@H+]1CCn2c(nnc2[C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000072374034 222243422 /nfs/dbraw/zinc/24/34/22/222243422.db2.gz LYBVMZOCDOOUGP-IBGZPJMESA-N 1 0 392.507 2.891 40 0 GFABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](CCOc4ccccc4C)C3)ncc2C1 ZINC000072390879 222247212 /nfs/dbraw/zinc/24/72/12/222247212.db2.gz QKRVXISDZCIXKA-LJQANCHMSA-N 1 0 394.519 2.948 40 0 GFABRO CC(=O)N1CC[C@@H](c2nn(CC[NH2+]Cc3cccc(Cl)c3)c3nccnc23)C1 ZINC000072391655 222248438 /nfs/dbraw/zinc/24/84/38/222248438.db2.gz ZHHGFVGDDQQTIR-MRXNPFEDSA-N 1 0 398.898 2.605 40 0 GFABRO C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(Cc1nccs1)CC3 ZINC000096036301 222372482 /nfs/dbraw/zinc/37/24/82/222372482.db2.gz BGIIIXVMHRUEJJ-LAUBAEHRSA-N 1 0 388.581 2.690 40 0 GFABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)o1 ZINC000096050106 222375144 /nfs/dbraw/zinc/37/51/44/222375144.db2.gz HQHGBTNPIIDHCJ-UHFFFAOYSA-N 1 0 388.537 2.662 40 0 GFABRO Cc1nc(CN2C(=O)COC3(CC[NH+](Cc4ccoc4)CC3)[C@H]2C)cs1 ZINC000096062276 222376740 /nfs/dbraw/zinc/37/67/40/222376740.db2.gz CZUBAYSTYDKWAS-CQSZACIVSA-N 1 0 375.494 2.827 40 0 GFABRO CN1C[C@H]([NH2+]C2CCC2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O ZINC000096113501 222381897 /nfs/dbraw/zinc/38/18/97/222381897.db2.gz PTQNFKCLANZGJV-DNVCBOLYSA-N 1 0 393.478 2.740 40 0 biogenic,in-vitro GFABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)c3cccs3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144186 222388531 /nfs/dbraw/zinc/38/85/31/222388531.db2.gz WEORRYXFIUWWNS-NRFANRHFSA-N 1 0 389.565 2.791 40 0 GFABRO [NH3+]C[C@@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218535229 553053778 /nfs/dbraw/zinc/05/37/78/553053778.db2.gz SDLAFJXOWAOMLD-IXDOHACOSA-N 1 0 386.300 2.871 40 0 GFABRO CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C[NH3+])CO)cc1 ZINC000218566764 553053947 /nfs/dbraw/zinc/05/39/47/553053947.db2.gz JZWLTCJZSATAHA-QYZOEREBSA-N 1 0 379.909 2.780 40 0 GFABRO CO[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CC[C@]12CCCO2 ZINC000257284682 553152988 /nfs/dbraw/zinc/15/29/88/553152988.db2.gz PDUKEHYXRBOHBE-DOTOQJQBSA-N 1 0 383.286 2.658 40 0 GFABRO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccccc4)C[C@H]2N(C)C3=O)cn1 ZINC000514290368 560029804 /nfs/dbraw/zinc/02/98/04/560029804.db2.gz YVZFNYWGBLEJTF-IRLDBZIGSA-N 1 0 388.471 2.805 40 0 biogenic,in-vitro GFABRO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@H](C)CO)[nH+]1 ZINC000329046455 563471666 /nfs/dbraw/zinc/47/16/66/563471666.db2.gz UAVRTSOJSWWDIA-GFCCVEGCSA-N 1 0 391.313 3.157 40 0 GFABRO Cc1nc([C@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)ncc1C(=O)N(C)C ZINC000019763118 570217070 /nfs/dbraw/zinc/21/70/70/570217070.db2.gz FUJFFGLGPTXASW-INIZCTEOSA-N 1 0 386.471 2.884 40 0 GFABRO CCOCCOc1ccc(CN2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000585270293 570239383 /nfs/dbraw/zinc/23/93/83/570239383.db2.gz SWNOMQMBBSDXHO-HXUWFJFHSA-N 1 0 398.494 2.770 40 0 GFABRO O[C@]1(C[NH2+]Cc2ccc(OCc3ccccn3)cc2)CCN(c2ccccn2)C1 ZINC000585271306 570239715 /nfs/dbraw/zinc/23/97/15/570239715.db2.gz VZEQIWCXORUYJT-QHCPKHFHSA-N 1 0 390.487 2.787 40 0 GFABRO CC[C@H]1C[N@@H+]2CC[C@@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000203653169 570380608 /nfs/dbraw/zinc/38/06/08/570380608.db2.gz DAXYUDFNWXHGBE-OBADGVGUSA-N 1 0 384.476 2.700 40 0 GFABRO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4[C@@H]3[n+]3ccccc32)cc1 ZINC000005119151 570429845 /nfs/dbraw/zinc/42/98/45/570429845.db2.gz HSVUYOOLMQTDSC-KJJMTIBFSA-N 1 0 383.427 2.837 40 0 GFABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 ZINC000223254754 570453248 /nfs/dbraw/zinc/45/32/48/570453248.db2.gz WHJNHCBANGPUCN-VQTJNVASSA-N 1 0 392.532 2.801 40 0 GFABRO CCNC(=N)Nc1nc2cn(-c3ccc(C)cc3)cc2c(N2CCOCC2)n1 ZINC000536554694 570465508 /nfs/dbraw/zinc/46/55/08/570465508.db2.gz AOOHRPTUHYDHTH-UHFFFAOYSA-N 1 0 379.468 2.522 40 0 GFABRO CS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000029907704 570482462 /nfs/dbraw/zinc/48/24/62/570482462.db2.gz VJJLZZOHRRUNOS-UHFFFAOYSA-N 1 0 387.505 2.584 40 0 GFABRO C[N@@H+](Cc1cccc(CN2CCOCC2)c1)C[C@H](O)COC1CCCCC1 ZINC000257336214 570487296 /nfs/dbraw/zinc/48/72/96/570487296.db2.gz YNOTWEWSPUEKDE-NRFANRHFSA-N 1 0 376.541 2.661 40 0 GFABRO COC(=O)Cc1ccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000225216618 570557210 /nfs/dbraw/zinc/55/72/10/570557210.db2.gz PCGPUKJACNAKNG-UHFFFAOYSA-N 1 0 393.578 2.612 40 0 GFABRO COc1c2c(cc3c1[C@@H](C[C@@H](O)[C@H]1CCOC(C)(C)C1)[N@H+](C)CC3)OCO2 ZINC000004061873 570614225 /nfs/dbraw/zinc/61/42/25/570614225.db2.gz TWOLFEWIKVSGFO-ARFHVFGLSA-N 1 0 377.481 2.909 40 0 GFABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000044948581 570645171 /nfs/dbraw/zinc/64/51/71/570645171.db2.gz IHWJLTHAMFANQE-QGZVFWFLSA-N 1 0 393.553 2.746 40 0 GFABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COCc1nc2ccccc2[nH]1 ZINC000257229161 570764685 /nfs/dbraw/zinc/76/46/85/570764685.db2.gz FWXHRPQHNGETQY-TUXJCPBXSA-N 1 0 382.508 2.943 40 0 GFABRO CCC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(CC)[C@H]2c2cccc(OC)c2)CC1 ZINC000257230413 570765228 /nfs/dbraw/zinc/76/52/28/570765228.db2.gz GCEXLPSMGJHBJF-CTNGQTDRSA-N 1 0 387.524 2.549 40 0 GFABRO COc1ccc(OC)c(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000008215718 570765428 /nfs/dbraw/zinc/76/54/28/570765428.db2.gz UGVOCOSFWOPERG-GOSISDBHSA-N 1 0 393.443 2.649 40 0 GFABRO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)CN1CCCC1=O ZINC000257264959 570772607 /nfs/dbraw/zinc/77/26/07/570772607.db2.gz LWRLPBJPPJMPQO-NABGWTBKSA-N 1 0 395.547 2.742 40 0 GFABRO CN(CC(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1)Cc1ccccn1 ZINC000257271765 570773634 /nfs/dbraw/zinc/77/36/34/570773634.db2.gz MZSCDVWBOMAXKP-FYYLOGMGSA-N 1 0 395.503 2.743 40 0 GFABRO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000257306305 570778955 /nfs/dbraw/zinc/77/89/55/570778955.db2.gz STTPRSHOYRFTAT-HSZRJFAPSA-N 1 0 397.519 2.595 40 0 GFABRO COc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCC[C@H]3O2)cc1CN1CCOCC1 ZINC000257342480 570784576 /nfs/dbraw/zinc/78/45/76/570784576.db2.gz ZOVRUTGMXNUDDH-YVNJGZBMSA-N 1 0 388.508 2.662 40 0 GFABRO CC[NH2+][C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C2(C1)CCCCC2 ZINC000019703983 570896968 /nfs/dbraw/zinc/89/69/68/570896968.db2.gz ASQDBEQYXNWZET-OAHLLOKOSA-N 1 0 380.510 2.533 40 0 GFABRO C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CCN(C(=O)c1ccnc(F)c1)CC2 ZINC000585100014 570923378 /nfs/dbraw/zinc/92/33/78/570923378.db2.gz ZUZXIRJBGHYJBL-SFHVURJKSA-N 1 0 384.455 2.511 40 0 GFABRO O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@]2(CC[N@@H+]2C[C@@H]2CCCO2)C1 ZINC000585101711 570927529 /nfs/dbraw/zinc/92/75/29/570927529.db2.gz AOKZISPLNXBFRT-YJBOKZPZSA-N 1 0 383.414 2.960 40 0 GFABRO CC[NH+]1CCN([C@H](c2nnnn2CCc2ccccc2)c2ccc(F)cc2)CC1 ZINC000019528006 570928217 /nfs/dbraw/zinc/92/82/17/570928217.db2.gz SQEGAQVJNXYMCQ-NRFANRHFSA-N 1 0 394.498 2.782 40 0 GFABRO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[N@@H+]3CCC[C@@H](O)C3)C2)CC1 ZINC000585104136 570930008 /nfs/dbraw/zinc/93/00/08/570930008.db2.gz LUMSSBWHAVZRPK-UXHICEINSA-N 1 0 386.536 2.717 40 0 GFABRO O=C(Nc1ccc(C(=O)N2CCC[C@]3(CC[N@@H+]3C[C@H]3CCCO3)C2)cc1)C1CC1 ZINC000585102255 570930049 /nfs/dbraw/zinc/93/00/49/570930049.db2.gz VNFNPYTTZNSPTE-OFNKIYASSA-N 1 0 397.519 2.895 40 0 GFABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000585106187 570936307 /nfs/dbraw/zinc/93/63/07/570936307.db2.gz AXTIDFVLJACFFE-DBVUQKKJSA-N 1 0 399.535 2.536 40 0 GFABRO O=C(c1cc(C2CC2)on1)N1CCO[C@@]2(CCCC[C@@H]2[NH2+]Cc2cccnc2)C1 ZINC000306126822 570937381 /nfs/dbraw/zinc/93/73/81/570937381.db2.gz FGBOWWCWZXPYSO-UNMCSNQZSA-N 1 0 396.491 2.891 40 0 GFABRO Cc1nc(C)n(CCC(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)n1 ZINC000019285980 570969665 /nfs/dbraw/zinc/96/96/65/570969665.db2.gz DBKMPYWCHIYUHR-UHFFFAOYSA-N 1 0 397.523 2.607 40 0 GFABRO O=C(CCCOc1cccc(F)c1)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019294270 570973476 /nfs/dbraw/zinc/97/34/76/570973476.db2.gz PQEJOLKUEJRXHD-MRXNPFEDSA-N 1 0 398.482 2.827 40 0 GFABRO O=C(c1cc(C2CC[NH+](Cc3ccc(F)cc3)CC2)no1)N1CCC[C@@H](O)C1 ZINC000019333825 570975597 /nfs/dbraw/zinc/97/55/97/570975597.db2.gz ZWXZOORKFCKEKQ-GOSISDBHSA-N 1 0 387.455 2.790 40 0 GFABRO C[C@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@@H+](C)C4)ccc2O1 ZINC000019497938 570990589 /nfs/dbraw/zinc/99/05/89/570990589.db2.gz BRKMZUWTHFBZSO-IFXJQAMLSA-N 1 0 378.476 2.765 40 0 GFABRO CCOc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nc(CC)cc(=O)[nH]3)C1)OCO2 ZINC000019522498 570995369 /nfs/dbraw/zinc/99/53/69/570995369.db2.gz YOFFNQBCEUMRIS-CQSZACIVSA-N 1 0 385.464 2.839 40 0 GFABRO COc1ccc(OC)c(C[N@@H+]2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 ZINC000019551446 571001284 /nfs/dbraw/zinc/00/12/84/571001284.db2.gz BDTSEIARTYPTDR-MRXNPFEDSA-N 1 0 392.459 2.839 40 0 GFABRO Cc1nn(C[C@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c(C)c1C ZINC000019556792 571003330 /nfs/dbraw/zinc/00/33/30/571003330.db2.gz OQLDYGGEGQEGRY-XOBRGWDASA-N 1 0 396.539 2.586 40 0 GFABRO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc1CO ZINC000019559336 571004958 /nfs/dbraw/zinc/00/49/58/571004958.db2.gz JQYCNBUKEWPHIF-MRXNPFEDSA-N 1 0 399.520 2.815 40 0 GFABRO COc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1OC ZINC000019567629 571008752 /nfs/dbraw/zinc/00/87/52/571008752.db2.gz IKZWTARTLYTMFW-KRWDZBQOSA-N 1 0 392.459 2.839 40 0 GFABRO CC[N@@H+]1CCC[C@H](Nc2cc(Cn3c(C)nc4ccccc4c3=O)nc(C)n2)C1 ZINC000019655477 571023237 /nfs/dbraw/zinc/02/32/37/571023237.db2.gz SXGSVCQOAWSQSQ-KRWDZBQOSA-N 1 0 392.507 2.748 40 0 GFABRO C[C@@H](C[NH+]1CCCC1)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000019661370 571025746 /nfs/dbraw/zinc/02/57/46/571025746.db2.gz SKJHQJVJTLSLSD-AWEZNQCLSA-N 1 0 384.446 2.917 40 0 GFABRO Cc1cccc2[nH]c(C(=O)N3CCn4c(nnc4[C@@H]4CCC[N@@H+](C)C4)C3)cc21 ZINC000019711000 571034582 /nfs/dbraw/zinc/03/45/82/571034582.db2.gz SFJAWUVUXAUEDZ-OAHLLOKOSA-N 1 0 378.480 2.533 40 0 GFABRO C[N@H+]1CCc2nnc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2CC1 ZINC000019710761 571034698 /nfs/dbraw/zinc/03/46/98/571034698.db2.gz IKXUJUHIMLAKSR-KRWDZBQOSA-N 1 0 387.915 2.716 40 0 GFABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000409057407 231152142 /nfs/dbraw/zinc/15/21/42/231152142.db2.gz PLQWVFWKJUXVCQ-NAGXTHEASA-O 1 0 388.422 2.842 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2cccc(F)c2F)cc(-c2ccccn2)n1 ZINC000329003943 212092416 /nfs/dbraw/zinc/09/24/16/212092416.db2.gz KPLMRWVKEFTVGG-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO COc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1OC ZINC000012327782 221182615 /nfs/dbraw/zinc/18/26/15/221182615.db2.gz SZFZTOQXZOGUSL-GOSISDBHSA-N 1 0 375.440 2.860 40 0 GFABRO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1F ZINC000012366323 221184573 /nfs/dbraw/zinc/18/45/73/221184573.db2.gz CDRDFHMTRDHLEV-VSOVRNOCSA-N 1 0 383.467 2.818 40 0 GFABRO O=C(CCN1Cc2ccccc2C1=O)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000012201686 221166386 /nfs/dbraw/zinc/16/63/86/221166386.db2.gz QEZWXDOXTJOZBU-UHFFFAOYSA-N 1 0 395.478 2.952 40 0 GFABRO Cc1c(C(=O)NC(C)(C)C[N@H+]2CCC[C@H](C)C2)sc2ncn(C)c(=O)c12 ZINC000012203319 221168435 /nfs/dbraw/zinc/16/84/35/221168435.db2.gz ZFJHFUNXTZRKMQ-LBPRGKRZSA-N 1 0 376.526 2.544 40 0 GFABRO Cc1cc(C[NH+]2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)oc1C ZINC000012223031 221170215 /nfs/dbraw/zinc/17/02/15/221170215.db2.gz FDXVVRVEACCBFQ-LJQANCHMSA-N 1 0 375.494 2.839 40 0 GFABRO Cc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1 ZINC000013668604 221279381 /nfs/dbraw/zinc/27/93/81/221279381.db2.gz VCSLMRYFOWNSFT-GOSISDBHSA-N 1 0 395.569 2.532 40 0 GFABRO Cc1ccc([C@H](C)C(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3cccnc32)cc1 ZINC000019136368 221399625 /nfs/dbraw/zinc/39/96/25/221399625.db2.gz ATGDIECVLGBIHI-WMZOPIPTSA-N 1 0 377.492 2.737 40 0 GFABRO CC(=O)NCCn1nc([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019021805 221394799 /nfs/dbraw/zinc/39/47/99/221394799.db2.gz UHOYGJLSXARWBP-KRWDZBQOSA-N 1 0 381.455 2.696 40 0 GFABRO COc1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c1 ZINC000019078791 221395127 /nfs/dbraw/zinc/39/51/27/221395127.db2.gz BJYDGOBOSGTUJJ-YWZLYKJASA-N 1 0 396.491 2.604 40 0 GFABRO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019078779 221395170 /nfs/dbraw/zinc/39/51/70/221395170.db2.gz YJCLPKUGIOVFLJ-KUHUBIRLSA-N 1 0 384.455 2.735 40 0 GFABRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H](O)c2ccc3c(c2)CCO3)CC1 ZINC000019021063 221395384 /nfs/dbraw/zinc/39/53/84/221395384.db2.gz BTPICNHHCPTRKN-NRFANRHFSA-N 1 0 380.488 2.782 40 0 GFABRO Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000019662803 221438228 /nfs/dbraw/zinc/43/82/28/221438228.db2.gz DULKQKWKEOGEES-SFHVURJKSA-N 1 0 376.526 2.778 40 0 GFABRO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](C)C3)nc(N3CCCC(C)(C)C3)c2C1 ZINC000072372183 136168967 /nfs/dbraw/zinc/16/89/67/136168967.db2.gz VTYQCEUWBNQXIL-KRWDZBQOSA-N 1 0 385.556 2.817 40 0 GFABRO CC[NH+](CC)CCNC(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 ZINC000072339036 222230288 /nfs/dbraw/zinc/23/02/88/222230288.db2.gz SBJVCDHWJCQQIQ-ZDZLMVPKSA-N 1 0 399.535 2.789 40 0 GFABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](Cc3ccncc3)C2)cc1 ZINC000072345951 222232957 /nfs/dbraw/zinc/23/29/57/222232957.db2.gz ZAMIOBQTWYYTEH-SFHVURJKSA-N 1 0 388.475 2.599 40 0 GFABRO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000072347634 222234251 /nfs/dbraw/zinc/23/42/51/222234251.db2.gz RATMIBXNVCILQW-UHFFFAOYSA-N 1 0 395.459 2.630 40 0 GFABRO CN(CCO)C(=O)c1cc([C@H]2CC[N@H+](Cc3cccnc3)C2)nc2ccccc21 ZINC000072356014 222239462 /nfs/dbraw/zinc/23/94/62/222239462.db2.gz NMCORAPZBSIQAJ-SFHVURJKSA-N 1 0 390.487 2.684 40 0 GFABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000072391143 222249272 /nfs/dbraw/zinc/24/92/72/222249272.db2.gz WSQWPDXYUXIAMI-YVWKXTFCSA-N 1 0 395.434 2.963 40 0 GFABRO O=C([C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(F)cc3)CC2)O1)N1CCCC1 ZINC000096036827 222372378 /nfs/dbraw/zinc/37/23/78/222372378.db2.gz KKVOVGNAJUPGHT-LJQANCHMSA-N 1 0 398.482 2.535 40 0 GFABRO Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)NCCC[NH+](C)C ZINC000096037609 222374722 /nfs/dbraw/zinc/37/47/22/222374722.db2.gz RRNUCSBSFCNLCT-UHFFFAOYSA-N 1 0 378.480 2.907 40 0 GFABRO Cc1nc(CN2CCN(C)C3(CC[NH+](Cc4cccs4)CC3)C2=O)cs1 ZINC000096050102 222375611 /nfs/dbraw/zinc/37/56/11/222375611.db2.gz VUUHBLMTBAPRGP-UHFFFAOYSA-N 1 0 390.578 2.822 40 0 GFABRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)C3CCC3)CC2)c2ccccc21 ZINC000096079503 222377105 /nfs/dbraw/zinc/37/71/05/222377105.db2.gz CHUZRFGBJGOXLI-LJQANCHMSA-N 1 0 397.563 2.902 40 0 GFABRO C[NH+]1CCC(N2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)CC1 ZINC000096111863 222382122 /nfs/dbraw/zinc/38/21/22/222382122.db2.gz AEBWVIFGBDQIFY-FPOVZHCZSA-N 1 0 392.503 2.544 40 0 biogenic,in-vitro GFABRO CC(C)n1c2c(nc1C(=O)N1CCC[N@H+](C)CC1)CN(Cc1ccccc1)CC2 ZINC000096147132 222389935 /nfs/dbraw/zinc/38/99/35/222389935.db2.gz ZRSKGSJAJKSYHW-UHFFFAOYSA-N 1 0 395.551 2.800 40 0 GFABRO Cn1c2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)n(-c3ncccn3)c2c2ccccc21 ZINC000096146341 222389966 /nfs/dbraw/zinc/38/99/66/222389966.db2.gz JXMOGPUZIUQZFT-HNNXBMFYSA-N 1 0 388.475 2.688 40 0 GFABRO CC(C)[NH+]1CCN(c2ccc3ccc(C(=O)NCCc4ccccn4)cn32)CC1 ZINC000096156093 222392554 /nfs/dbraw/zinc/39/25/54/222392554.db2.gz ONLCOKBWYRSIQG-UHFFFAOYSA-N 1 0 391.519 2.837 40 0 GFABRO Cc1ccc(C[N@H+]2CC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)s1 ZINC000096225904 222399700 /nfs/dbraw/zinc/39/97/00/222399700.db2.gz KVLIBFKJJRVMBR-FQEVSTJZSA-N 1 0 384.505 2.831 40 0 GFABRO Nc1nn(CC(=O)c2ccc(F)c(Cl)c2)c(=S)n1Nc1cc[nH+]cc1 ZINC000028535043 551124513 /nfs/dbraw/zinc/12/45/13/551124513.db2.gz RGDVGWOCKVHCHW-UHFFFAOYSA-N 1 0 378.820 2.942 40 0 GFABRO CC1CC[NH+](CCCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 ZINC000044838888 551144521 /nfs/dbraw/zinc/14/45/21/551144521.db2.gz NXOFLXXCZHDANG-UHFFFAOYSA-N 1 0 387.933 2.563 40 0 GFABRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000685939068 565132365 /nfs/dbraw/zinc/13/23/65/565132365.db2.gz KTJZQFGLFZSMKN-FUHWJXTLSA-N 1 0 375.916 2.978 40 0 GFABRO Cc1nc(C2CC[NH+](Cc3ccccc3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019751987 570215860 /nfs/dbraw/zinc/21/58/60/570215860.db2.gz YEXKHINNTVUGFR-UHFFFAOYSA-N 1 0 380.492 2.637 40 0 GFABRO Cc1nc([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)ncc1C(=O)N1CCCCC1 ZINC000019765634 570217239 /nfs/dbraw/zinc/21/72/39/570217239.db2.gz XPGLHBFCAKSPLX-IBGZPJMESA-N 1 0 399.539 2.561 40 0 GFABRO CCC[NH+]1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 ZINC000096263537 570226634 /nfs/dbraw/zinc/22/66/34/570226634.db2.gz UGWBQBHYXSQSEO-UHFFFAOYSA-N 1 0 378.538 2.972 40 0 GFABRO CC(C)[N@H+](Cc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccccc2)CC[C@@H]1O ZINC000585285595 570255233 /nfs/dbraw/zinc/25/52/33/570255233.db2.gz QVGMQCHRALFEAG-GMAHTHKFSA-N 1 0 382.504 2.535 40 0 GFABRO CCCCc1ccc(C[NH2+]C[C@]2(O)CN(C(=O)c3ccccc3)CC[C@H]2O)cc1 ZINC000585289073 570257300 /nfs/dbraw/zinc/25/73/00/570257300.db2.gz CVQCCYNRAXCDGF-VWNXMTODSA-N 1 0 396.531 2.757 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(C)c1 ZINC000020636892 570273778 /nfs/dbraw/zinc/27/37/78/570273778.db2.gz XOOXWDQEPNQMHK-PMACEKPBSA-N 1 0 391.471 2.760 40 0 GFABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000048339955 570326606 /nfs/dbraw/zinc/32/66/06/570326606.db2.gz QQRMRAOYCBSXRC-ABSDTBQOSA-N 1 0 383.536 2.792 40 0 GFABRO CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000023241093 570352072 /nfs/dbraw/zinc/35/20/72/570352072.db2.gz QTAOTTYLRJSSNX-UHFFFAOYSA-N 1 0 387.505 2.584 40 0 GFABRO C[NH+](C)[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000604382329 570353371 /nfs/dbraw/zinc/35/33/71/570353371.db2.gz OELGKSSJJXGXLW-BRSBDYLESA-N 1 0 395.425 2.624 40 0 biogenic,in-vitro GFABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2cccc(Cl)c2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382168 570353391 /nfs/dbraw/zinc/35/33/91/570353391.db2.gz ILMHFLKWCMXTMV-UAFMIMERSA-N 1 0 387.911 2.698 40 0 biogenic,in-vitro GFABRO CCOc1ccc(C(=O)C2CCN(C(=S)NCCC[NH+](C)C)CC2)cc1 ZINC000035314290 570468561 /nfs/dbraw/zinc/46/85/61/570468561.db2.gz QYXPCJFCIMOYKF-UHFFFAOYSA-N 1 0 377.554 2.806 40 0 GFABRO C[N@@H+](Cc1cccc(CN2CCOCC2)c1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257290069 570489036 /nfs/dbraw/zinc/48/90/36/570489036.db2.gz QBLLRXBAYLIGKI-HSZRJFAPSA-N 1 0 393.531 2.966 40 0 GFABRO C[NH+]1CCC(C(=O)N2CCO[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)CC1 ZINC000257215686 570761966 /nfs/dbraw/zinc/76/19/66/570761966.db2.gz CRFIBNDYOAMZRT-IBGZPJMESA-N 1 0 387.455 2.646 40 0 GFABRO CCN1C(=O)C[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@@H]1c1ccccc1Cl ZINC000257238977 570767332 /nfs/dbraw/zinc/76/73/32/570767332.db2.gz HNJAWMTUJUXBDO-APWZRJJASA-N 1 0 377.916 2.802 40 0 GFABRO CN(C)C(=O)C1CCN(C(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)CC1 ZINC000257293392 570777042 /nfs/dbraw/zinc/77/70/42/570777042.db2.gz QPHJSACITQMNHX-UHFFFAOYSA-N 1 0 394.519 2.751 40 0 GFABRO CCN1C(=O)C[C@@H](C(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1ccccc1Cl ZINC000257315553 570780431 /nfs/dbraw/zinc/78/04/31/570780431.db2.gz VBXJSHXYXLHHKA-APWZRJJASA-N 1 0 377.916 2.708 40 0 GFABRO O=C(C[NH+]1CCCC1)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 ZINC000257334314 570783527 /nfs/dbraw/zinc/78/35/27/570783527.db2.gz YFJZEHZYXCPYKB-FXAWDEMLSA-N 1 0 386.492 2.709 40 0 GFABRO COCCOCC(=O)N1[C@@H]2CCC[C@@H]3[N@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257338064 570784000 /nfs/dbraw/zinc/78/40/00/570784000.db2.gz YVQJKGHVMVAMDW-XANJAXJYSA-N 1 0 386.536 2.734 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)NCC[NH+]2CCCCC2)[C@@H]1c1ccc(OC)cc1 ZINC000257340695 570784675 /nfs/dbraw/zinc/78/46/75/570784675.db2.gz ZHEVHTUVKHIWKG-CTNGQTDRSA-N 1 0 387.524 2.597 40 0 GFABRO C[C@@H](C[N@@H+]1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000257224045 570890580 /nfs/dbraw/zinc/89/05/80/570890580.db2.gz FABMBFBEXQWRLX-YESZJQIVSA-N 1 0 382.508 2.958 40 0 GFABRO COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC000585102910 570931174 /nfs/dbraw/zinc/93/11/74/570931174.db2.gz HXDGYSUQTVGOST-KRWDZBQOSA-N 1 0 378.488 2.581 40 0 GFABRO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]21)C1CC(O)C1 ZINC000585109775 570938802 /nfs/dbraw/zinc/93/88/02/570938802.db2.gz SILPZSIJFIPYBB-PCBHJHNVSA-N 1 0 380.463 2.983 40 0 GFABRO Cc1ccc(-c2nnc3n(c2=O)CCC32CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000306130892 570939407 /nfs/dbraw/zinc/93/94/07/570939407.db2.gz JSCVDBYVNKJYJW-UHFFFAOYSA-N 1 0 387.487 2.946 40 0 GFABRO O=C1N(Cc2ccsc2)CCO[C@]12C[N@@H+](C1CCC1)C[C@@H]2c1cccnc1 ZINC000306141423 570945304 /nfs/dbraw/zinc/94/53/04/570945304.db2.gz VVQFIAMMUKICLE-CTNGQTDRSA-N 1 0 383.517 2.893 40 0 GFABRO Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@H](C)C1)CC1(CC[NH+](C)CC1)O2 ZINC000019218508 570962281 /nfs/dbraw/zinc/96/22/81/570962281.db2.gz QLHMGBZXZRZHAA-SFHVURJKSA-N 1 0 399.535 2.553 40 0 GFABRO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)no1)N1CCC(O)CC1 ZINC000019334009 570975424 /nfs/dbraw/zinc/97/54/24/570975424.db2.gz WPIDWYXHDVDHCT-MRXNPFEDSA-N 1 0 387.455 2.790 40 0 GFABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21)c1cc2ccc(F)cc2[nH]1 ZINC000019346772 570978001 /nfs/dbraw/zinc/97/80/01/570978001.db2.gz WIXHIPCXQCSLBH-AWEZNQCLSA-N 1 0 392.438 2.559 40 0 GFABRO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)no1 ZINC000019401689 570982897 /nfs/dbraw/zinc/98/28/97/570982897.db2.gz PUZKCQXGPOGINM-QGZVFWFLSA-N 1 0 377.448 2.774 40 0 GFABRO C[C@H](Cc1cc(=O)[nH]c(NC2CC[NH+](Cc3ccccc3)CC2)n1)n1cccn1 ZINC000019456749 570987095 /nfs/dbraw/zinc/98/70/95/570987095.db2.gz QXRVSMHSMKQKBB-QGZVFWFLSA-N 1 0 392.507 2.847 40 0 GFABRO C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@@H+](C)C4)ccc2O1 ZINC000019497937 570990260 /nfs/dbraw/zinc/99/02/60/570990260.db2.gz BRKMZUWTHFBZSO-AUUYWEPGSA-N 1 0 378.476 2.765 40 0 GFABRO CCCCn1cc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)c(C)n1 ZINC000019502434 570993420 /nfs/dbraw/zinc/99/34/20/570993420.db2.gz HOKAOMAKHURMKG-UHFFFAOYSA-N 1 0 392.507 2.738 40 0 GFABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 ZINC000019575353 571011861 /nfs/dbraw/zinc/01/18/61/571011861.db2.gz XHCALFYQEZPZDG-MISYRCLQSA-N 1 0 376.504 2.724 40 0 GFABRO Cc1nccn1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000019657948 571024562 /nfs/dbraw/zinc/02/45/62/571024562.db2.gz VTMWOZNBGLERHD-SFHVURJKSA-N 1 0 378.480 2.728 40 0 GFABRO Cc1nn(C)cc1-c1cc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+](C)C)[nH]n1 ZINC000019665307 571027246 /nfs/dbraw/zinc/02/72/46/571027246.db2.gz IEAAGKLMQKVEDU-GOSISDBHSA-N 1 0 386.887 2.805 40 0 GFABRO Cc1nn(C)cc1-c1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+](C)C)[nH]n1 ZINC000019665304 571027262 /nfs/dbraw/zinc/02/72/62/571027262.db2.gz IEAAGKLMQKVEDU-SFHVURJKSA-N 1 0 386.887 2.805 40 0 GFABRO Cc1oc2c(c1C(=O)N1CCc3nnc(C4CC[NH+](C)CC4)n3CC1)CCCC2 ZINC000019708990 571033818 /nfs/dbraw/zinc/03/38/18/571033818.db2.gz CAVMCELOVONKMX-UHFFFAOYSA-N 1 0 397.523 2.566 40 0 GFABRO CCN1C(=O)CC[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@@H]1c1cccc(OC)c1 ZINC000257283060 222769330 /nfs/dbraw/zinc/76/93/30/222769330.db2.gz OWPXQBXNPMUJPS-CTNGQTDRSA-N 1 0 387.524 2.547 40 0 GFABRO Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC[C@](O)(C[NH+]4CCCC4)CC3)c2c1 ZINC000257311814 222775039 /nfs/dbraw/zinc/77/50/39/222775039.db2.gz ULDJHELYODMIMD-JOCHJYFZSA-N 1 0 383.492 2.702 40 0 GFABRO COc1cc2c(cc1OC)CN(c1cc(C)[nH+]c(N[C@@H](CO)C(C)C)n1)CC2 ZINC000329013962 212094175 /nfs/dbraw/zinc/09/41/75/212094175.db2.gz MSTOPXAPMLIYCE-KRWDZBQOSA-N 1 0 386.496 2.794 40 0 GFABRO C[NH+](C)CCCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccn2)n1 ZINC000329056789 212095250 /nfs/dbraw/zinc/09/52/50/212095250.db2.gz VUXJMFZBBNZTCW-UHFFFAOYSA-N 1 0 398.461 2.636 40 0 GFABRO C[NH+](C)CCCNc1nc(Nc2cccc(F)c2F)cc(-c2cccnc2)n1 ZINC000329057791 212095048 /nfs/dbraw/zinc/09/50/48/212095048.db2.gz VZGQVUKYHCYMGN-UHFFFAOYSA-N 1 0 384.434 2.768 40 0 GFABRO COc1ccc(Br)cc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000007709769 221006597 /nfs/dbraw/zinc/00/65/97/221006597.db2.gz NCXJGWGQWISWQE-UHFFFAOYSA-N 1 0 391.331 2.612 40 0 GFABRO CCn1c2ccccc2nc1N1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000012116399 221151979 /nfs/dbraw/zinc/15/19/79/221151979.db2.gz XLTSBSUEIFNQBU-SFHVURJKSA-N 1 0 383.540 2.873 40 0 GFABRO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(F)c1 ZINC000012366338 221184305 /nfs/dbraw/zinc/18/43/05/221184305.db2.gz IFABXGHSNJZFHP-QIDMFYOTSA-N 1 0 383.467 2.818 40 0 GFABRO CS(=O)(=O)N1CCc2cc([C@H](O)C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)ccc21 ZINC000012180998 221161573 /nfs/dbraw/zinc/16/15/73/221161573.db2.gz SQFQHBRYJDGHQJ-QKYXUNIQSA-N 1 0 378.538 2.554 40 0 GFABRO Cc1ccc([C@@H](CNC(=O)c2cc(C(C)(C)C)n3ncnc3n2)[NH+](C)C)cc1 ZINC000019136488 221399030 /nfs/dbraw/zinc/39/90/30/221399030.db2.gz NSSHBEQZWSQENG-QGZVFWFLSA-N 1 0 380.496 2.763 40 0 GFABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2CC(=O)N1CCC1 ZINC000019017541 221393548 /nfs/dbraw/zinc/39/35/48/221393548.db2.gz GPDWHBNOKUNZER-VWPQPMDRSA-N 1 0 387.499 2.617 40 0 GFABRO COc1ccccc1O[C@@H](C)C(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019078998 221394886 /nfs/dbraw/zinc/39/48/86/221394886.db2.gz ISWFOHMFCFPULT-YJBOKZPZSA-N 1 0 396.491 2.652 40 0 GFABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072345962 222232694 /nfs/dbraw/zinc/23/26/94/222232694.db2.gz JXAUFCXKDBZSSB-GOSISDBHSA-N 1 0 388.475 2.599 40 0 GFABRO Cc1nc(CN2C(=O)COC3(CC[NH+](Cc4ccoc4)CC3)[C@@H]2C)cs1 ZINC000096062277 222377280 /nfs/dbraw/zinc/37/72/80/222377280.db2.gz CZUBAYSTYDKWAS-AWEZNQCLSA-N 1 0 375.494 2.827 40 0 GFABRO O=C(c1cccc2cccnc21)N1CCC[C@@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1 ZINC000096075572 222377565 /nfs/dbraw/zinc/37/75/65/222377565.db2.gz FSFLDAVGWKYQHZ-FDDCHVKYSA-N 1 0 395.503 2.578 40 0 GFABRO CC(C)C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514288519 560034912 /nfs/dbraw/zinc/03/49/12/560034912.db2.gz BWRFWQYZPZEDSQ-RBUKOAKNSA-N 1 0 397.485 2.667 40 0 biogenic,in-vitro GFABRO O=C(c1cnccn1)N1Cc2ccccc2C2(CC[NH+](C3CCOCC3)CC2)C1 ZINC000096242468 570222863 /nfs/dbraw/zinc/22/28/63/570222863.db2.gz XJZHCYWWYZPJTN-UHFFFAOYSA-N 1 0 392.503 2.645 40 0 GFABRO O=C([C@@H]1Cn2ccnc2C2(CC[NH+](Cc3cccc(F)c3)CC2)O1)N1CCCC1 ZINC000096243696 570223610 /nfs/dbraw/zinc/22/36/10/570223610.db2.gz ULJUWXWYOCGEKJ-IBGZPJMESA-N 1 0 398.482 2.535 40 0 GFABRO C[N@@H+](Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@H](O)COc1ccccc1 ZINC000585262549 570230800 /nfs/dbraw/zinc/23/08/00/570230800.db2.gz RRRFYJGXOQJPCX-FQEVSTJZSA-N 1 0 398.503 2.560 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020636733 570273458 /nfs/dbraw/zinc/27/34/58/570273458.db2.gz PZPLRGQCASCTNS-RBUKOAKNSA-N 1 0 395.434 2.590 40 0 GFABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(F)c1 ZINC000020801024 570281231 /nfs/dbraw/zinc/28/12/31/570281231.db2.gz GTSWXTBWDXGOKJ-RTBURBONSA-N 1 0 395.434 2.590 40 0 GFABRO CCC(=O)C1(N2CCOCC2)CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000005757894 570456115 /nfs/dbraw/zinc/45/61/15/570456115.db2.gz PLCMLWPWSFBZEX-UHFFFAOYSA-N 1 0 390.499 2.935 40 0 GFABRO OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223607310 570474010 /nfs/dbraw/zinc/47/40/10/570474010.db2.gz ALMUQAHYZXNWPE-RBUKOAKNSA-N 1 0 379.489 2.622 40 0 GFABRO COc1ccc(OC)c(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000030498203 570490080 /nfs/dbraw/zinc/49/00/80/570490080.db2.gz DDPVNNPBJDDAII-UHFFFAOYSA-N 1 0 390.505 2.778 40 0 GFABRO COc1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(F)ccc43)CC2)cc1 ZINC000004895555 570637021 /nfs/dbraw/zinc/63/70/21/570637021.db2.gz LAQGSICDQNNPGW-UHFFFAOYSA-N 1 0 383.427 2.855 40 0 GFABRO COc1ccc(S(=O)(=O)N2Cc3cc(C)ccc3OC[C@H]2C[NH+](C)C)cc1 ZINC000012406659 570653937 /nfs/dbraw/zinc/65/39/37/570653937.db2.gz JOVDEAJQNAFAPO-QGZVFWFLSA-N 1 0 390.505 2.517 40 0 GFABRO COc1ccc(S(=O)(=O)N2Cc3cc(C)ccc3OC[C@@H]2C[NH+](C)C)cc1 ZINC000012406657 570654027 /nfs/dbraw/zinc/65/40/27/570654027.db2.gz JOVDEAJQNAFAPO-KRWDZBQOSA-N 1 0 390.505 2.517 40 0 GFABRO COC[C@H]1C[N@H+](Cc2ccsc2)CC12CCN(C(=O)c1cocn1)CC2 ZINC000247832751 570716527 /nfs/dbraw/zinc/71/65/27/570716527.db2.gz HYQPSKMQAGNTDK-MRXNPFEDSA-N 1 0 375.494 2.737 40 0 GFABRO C[NH+](C)CCNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000010111608 570781822 /nfs/dbraw/zinc/78/18/22/570781822.db2.gz REWIJKHOUKCGDF-JOCHJYFZSA-N 1 0 397.544 2.795 40 0 GFABRO NC(=O)C[NH+]1CCC(CCc2ccnc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000257334812 570783476 /nfs/dbraw/zinc/78/34/76/570783476.db2.gz YHLLEQFPXGZUKL-UHFFFAOYSA-N 1 0 384.455 2.603 40 0 GFABRO C[C@@H](C[N@@H+]1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000257224044 570890425 /nfs/dbraw/zinc/89/04/25/570890425.db2.gz FABMBFBEXQWRLX-GVDBMIGSSA-N 1 0 382.508 2.958 40 0 GFABRO Cc1cc(C)[n+](-c2ccc(S(=O)(=O)NC3N=NC(=S)S3)cc2)c(C)c1 ZINC000016266776 570919717 /nfs/dbraw/zinc/91/97/17/570919717.db2.gz XPJUFYHWIJWTKJ-UHFFFAOYSA-O 1 0 393.539 2.830 40 0 GFABRO C[C@H](CNC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2)[NH+]1CCC(C)CC1 ZINC000019496779 570926908 /nfs/dbraw/zinc/92/69/08/570926908.db2.gz QLWVPDSDGXFTOR-IEPIWIGSSA-N 1 0 385.556 2.810 40 0 GFABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H](O)C4)C3)CC2)cc1F ZINC000585103023 570931741 /nfs/dbraw/zinc/93/17/41/570931741.db2.gz BHGBGFTZRMXRGX-RBUKOAKNSA-N 1 0 390.499 2.602 40 0 GFABRO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585104876 570934265 /nfs/dbraw/zinc/93/42/65/570934265.db2.gz VCVTZHWHZILEPY-VQTJNVASSA-N 1 0 386.536 2.717 40 0 GFABRO O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CC[C@]21CC[N@H+](CC2CC2)C1 ZINC000306130465 570939111 /nfs/dbraw/zinc/93/91/11/570939111.db2.gz JHHDIBHJEJQBPR-DEOSSOPVSA-N 1 0 390.531 2.559 40 0 GFABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)C3CC(F)(F)C3)C2)OC1 ZINC000306132127 570940527 /nfs/dbraw/zinc/94/05/27/570940527.db2.gz KZPQLDUQCZQPLZ-INIZCTEOSA-N 1 0 379.451 2.566 40 0 GFABRO O=C1N(CC2CC2)CCO[C@@]12C[N@H+](Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306145111 570946737 /nfs/dbraw/zinc/94/67/37/570946737.db2.gz ZYKYTVFMTKOQFP-TZIWHRDSSA-N 1 0 383.517 2.750 40 0 GFABRO COC(=O)c1ccc([C@H]2CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C[NH2+]2)cc1 ZINC000306145484 570946789 /nfs/dbraw/zinc/94/67/89/570946789.db2.gz GPNXCGBLAHTCQJ-UZLBHIALSA-N 1 0 376.453 2.514 40 0 GFABRO CC(=O)N1CCc2nc([C@@H]3CC[N@H+](CCCOc4ccc(C)cc4)C3)ncc2C1 ZINC000019211019 570960560 /nfs/dbraw/zinc/96/05/60/570960560.db2.gz GMPLNUKTHVXONJ-LJQANCHMSA-N 1 0 394.519 2.948 40 0 GFABRO O=C(c1ccc(N2CCCCC2)cc1)N1CC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019331917 570975392 /nfs/dbraw/zinc/97/53/92/570975392.db2.gz DUYCTPKEHMLNBR-SFHVURJKSA-N 1 0 391.519 2.742 40 0 GFABRO O=c1oc(-c2cccs2)nn1CC1(O)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019344754 570977537 /nfs/dbraw/zinc/97/75/37/570977537.db2.gz TXIKIZCNRBYIDR-OAHLLOKOSA-N 1 0 375.494 2.748 40 0 GFABRO CC(C)c1cc(C(=O)N2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cs1 ZINC000019452170 570985788 /nfs/dbraw/zinc/98/57/88/570985788.db2.gz ZIGXTIHELRLRJY-CYBMUJFWSA-N 1 0 384.509 2.600 40 0 GFABRO C[C@H]1CCc2onc(C(=O)N3CCC(c4ncc5c(n4)CC[N@@H+](C)C5)CC3)c2C1 ZINC000019497112 570990053 /nfs/dbraw/zinc/99/00/53/570990053.db2.gz BRDVSACZVFASIP-AWEZNQCLSA-N 1 0 395.507 2.597 40 0 GFABRO C[C@@H]1Cc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@@H+](C)C4)ccc2O1 ZINC000019497939 570990378 /nfs/dbraw/zinc/99/03/78/570990378.db2.gz BRKMZUWTHFBZSO-KUHUBIRLSA-N 1 0 378.476 2.765 40 0 GFABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000019500330 570992084 /nfs/dbraw/zinc/99/20/84/570992084.db2.gz XKDIQYPPIWPVTJ-QGZVFWFLSA-N 1 0 390.528 2.634 40 0 GFABRO CCOc1ccc(CCC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[NH2+]C4)C2)cc1 ZINC000019533106 570999006 /nfs/dbraw/zinc/99/90/06/570999006.db2.gz AMJNARZMFLEFDP-GOSISDBHSA-N 1 0 394.519 2.860 40 0 GFABRO CCOc1ccc(CC(=O)N2CCc3nc([C@@H]4CCC[N@H+](C)C4)ncc3C2)cc1 ZINC000019533022 570999123 /nfs/dbraw/zinc/99/91/23/570999123.db2.gz XHUNEXGBMCXAIZ-GOSISDBHSA-N 1 0 394.519 2.812 40 0 GFABRO CCOc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019533592 570999873 /nfs/dbraw/zinc/99/98/73/570999873.db2.gz NGFSBRDTKUOEIG-QRWLVFNGSA-N 1 0 396.491 2.652 40 0 GFABRO COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc(OC)c1O ZINC000019549456 571000265 /nfs/dbraw/zinc/00/02/65/571000265.db2.gz MFQOBYXWUWVXIZ-BEFAXECRSA-N 1 0 392.402 2.797 40 0 GFABRO Cc1nn([C@H](C)CC(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)c(C)c1C ZINC000019556114 571003323 /nfs/dbraw/zinc/00/33/23/571003323.db2.gz KSYQIOFEOQUQPE-CQSZACIVSA-N 1 0 396.539 2.601 40 0 GFABRO COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)CC2=O)cc1 ZINC000019556336 571003364 /nfs/dbraw/zinc/00/33/64/571003364.db2.gz TVKNLRTVRVWBOP-RBUKOAKNSA-N 1 0 399.535 2.915 40 0 GFABRO COc1cccc(OC)c1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1Cc1ccccc1 ZINC000019567125 571007898 /nfs/dbraw/zinc/00/78/98/571007898.db2.gz DPBOZEFYYMSDBZ-SLFFLAALSA-N 1 0 382.504 2.566 40 0 GFABRO COc1cccc(C(=O)N2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c1OC ZINC000019567373 571008493 /nfs/dbraw/zinc/00/84/93/571008493.db2.gz BAZOVWRBVIELLN-KRWDZBQOSA-N 1 0 382.464 2.507 40 0 GFABRO CN(C)c1cccc(C(=O)N2CCc3nc(C4CC[NH+](C)CC4)ncc3C2)c1 ZINC000019588331 571015791 /nfs/dbraw/zinc/01/57/91/571015791.db2.gz SBOGBNGQXMBKLN-UHFFFAOYSA-N 1 0 379.508 2.550 40 0 GFABRO COCCOc1cccc(C[N@@H+]2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)c1 ZINC000019593780 571020235 /nfs/dbraw/zinc/02/02/35/571020235.db2.gz WWVOHEWPHSGFPZ-MRXNPFEDSA-N 1 0 381.436 2.541 40 0 GFABRO C[N@H+]1CCc2nnc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2CC1 ZINC000019710762 571034499 /nfs/dbraw/zinc/03/44/99/571034499.db2.gz IKXUJUHIMLAKSR-QGZVFWFLSA-N 1 0 387.915 2.716 40 0 GFABRO