smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)n2nc(C(=O)Nc3ccc(C[NH+]4CCN(C)CC4)cc3)cc2n1 ZINC000035314058 204167189 /nfs/dbraw/zinc/16/71/89/204167189.db2.gz QIGWYNHBXNINAE-UHFFFAOYSA-N 1 1 378.480 2.346 40 0 GEABMO CC(C)c1ccc(S(=O)(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000009874964 204326528 /nfs/dbraw/zinc/32/65/28/204326528.db2.gz SQLZSDKQBGWSPN-UHFFFAOYSA-N 1 1 393.553 2.305 40 0 GEABMO CCc1nn(CC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(=O)c2cc3occc3n21 ZINC000012115470 204372651 /nfs/dbraw/zinc/37/26/51/204372651.db2.gz HVQBDGSEQHYNPY-OAHLLOKOSA-N 1 1 399.495 2.043 40 0 GEABMO CCn1ncc(C[NH+]2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)c1C ZINC000012143376 204374894 /nfs/dbraw/zinc/37/48/94/204374894.db2.gz DUBMOOBVEOPARP-NRFANRHFSA-N 1 1 394.523 2.349 40 0 GEABMO COCC[NH+]1CCN(c2nc(C)nc3c2CCN(Cc2ccccc2)C3)CC1 ZINC000012142758 204375963 /nfs/dbraw/zinc/37/59/63/204375963.db2.gz FBXAIUKTZOATFW-UHFFFAOYSA-N 1 1 381.524 2.112 40 0 GEABMO Cc1cc(N2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)nc(C)[nH+]1 ZINC000012325910 204397667 /nfs/dbraw/zinc/39/76/67/204397667.db2.gz KDPMGDLNQCLWEY-UHFFFAOYSA-N 1 1 379.464 2.183 40 0 GEABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000047110569 205108262 /nfs/dbraw/zinc/10/82/62/205108262.db2.gz PDJHPIJDECRSCV-QGZVFWFLSA-N 1 1 393.553 2.323 40 0 GEABMO COc1c(C)cccc1C(=O)N1CCC[C@H](c2nnc3n2CC[N@H+](C)CC3)C1 ZINC000072370938 205335215 /nfs/dbraw/zinc/33/52/15/205335215.db2.gz SCPKIRDWBOKNLL-INIZCTEOSA-N 1 1 383.496 2.103 40 0 GEABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3cc(C[NH+](C)C)n(C)n3)C2)cc1F ZINC000072370176 205335641 /nfs/dbraw/zinc/33/56/41/205335641.db2.gz VEBJBPHHFITFSX-OAHLLOKOSA-N 1 1 394.516 2.498 40 0 GEABMO COc1ccccc1CCC(=O)N1CCCC[C@H]1c1nnc2n1CC[N@H+](C)C2 ZINC000072374036 205337400 /nfs/dbraw/zinc/33/74/00/205337400.db2.gz APDWSZPJWIZSPA-KRWDZBQOSA-N 1 1 383.496 2.419 40 0 GEABMO C[N@H+]1CC[C@H](c2nn(CCNC(=O)COc3ccc(F)cc3)c3ncccc23)C1 ZINC000072391598 205342057 /nfs/dbraw/zinc/34/20/57/205342057.db2.gz WWPKBTCRTJORPD-HNNXBMFYSA-N 1 1 397.454 2.185 40 0 GEABMO COc1ccc2c(c1)c([C@H]1C[N@@H+](Cc3cnn(C)c3C)C[C@@H]1NC(C)=O)cn2C ZINC000072395731 205344277 /nfs/dbraw/zinc/34/42/77/205344277.db2.gz VPXRGAYWVHDQAT-RTWAWAEBSA-N 1 1 395.507 2.333 40 0 GEABMO CCC[C@H](c1nnnn1CCc1ccc(OC)c(OC)c1)N1CC[NH+](C)CC1 ZINC000019501906 205912656 /nfs/dbraw/zinc/91/26/56/205912656.db2.gz LNUUEWBYZANGDP-QGZVFWFLSA-N 1 1 388.516 2.022 40 0 GEABMO Cn1c(=O)c2ccc([C@H]3CC[N@@H+](Cc4ccc5[nH]ccc5c4)C3)nc2n(C)c1=O ZINC000257215736 206160995 /nfs/dbraw/zinc/16/09/95/206160995.db2.gz CRKUPYLRNRKARH-INIZCTEOSA-N 1 1 389.459 2.103 40 0 GEABMO CCCN1CC[N@@H+](CCC(N)=O)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257297735 206174643 /nfs/dbraw/zinc/17/46/43/206174643.db2.gz RIQIHUUQZXEIKI-HXUWFJFHSA-N 1 1 394.519 2.337 40 0 GEABMO COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)C4CCC4)CC[C@@H]3[N@H+]2C)cc1 ZINC000306123192 206195092 /nfs/dbraw/zinc/19/50/92/206195092.db2.gz AGVPRIIBFSVRMK-HOJAQTOUSA-N 1 1 385.508 2.033 40 0 GEABMO O[C@H](COCCOc1ccc(F)cc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000041690294 206194707 /nfs/dbraw/zinc/19/47/07/206194707.db2.gz HUOSSUYGKRWQHT-NRFANRHFSA-N 1 1 388.483 2.400 40 0 GEABMO CC(C)[N@H+]1CCOC[C@@]2(CC[C@H](CNS(=O)(=O)/C=C/c3ccccc3)O2)C1 ZINC000306140854 206205392 /nfs/dbraw/zinc/20/53/92/206205392.db2.gz VFJUCWKJXWNHFS-LRHIHOEBSA-N 1 1 394.537 2.235 40 0 GEABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccncc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306124324 206197503 /nfs/dbraw/zinc/19/75/03/206197503.db2.gz BMSLTEYOVUWYPU-KNQAVFIVSA-N 1 1 397.523 2.324 40 0 GEABMO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@H]1C[N@@H+](Cc3ccoc3)C[C@@H]1C2 ZINC000306129386 206199779 /nfs/dbraw/zinc/19/97/79/206199779.db2.gz IBRCLWWMXOUTPW-WBVHZDCISA-N 1 1 382.464 2.128 40 0 GEABMO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@H]1C[N@H+](Cc3ccoc3)C[C@@H]1C2 ZINC000306129386 206199784 /nfs/dbraw/zinc/19/97/84/206199784.db2.gz IBRCLWWMXOUTPW-WBVHZDCISA-N 1 1 382.464 2.128 40 0 GEABMO O=C1N(CC2CC2)CCO[C@@]12C[N@@H+](Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306133497 206201706 /nfs/dbraw/zinc/20/17/06/206201706.db2.gz MNHIZMHJQVXFEA-IFMALSPDSA-N 1 1 378.476 2.084 40 0 GEABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306137531 206203931 /nfs/dbraw/zinc/20/39/31/206203931.db2.gz QZEVCHAYKHEUGY-KNQAVFIVSA-N 1 1 396.539 2.426 40 0 GEABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3NS(C)(=O)=O)cc2)CC1 ZINC000062106990 136156356 /nfs/dbraw/zinc/15/63/56/136156356.db2.gz PTKJVHJNHCCZNK-UHFFFAOYSA-N 1 1 388.493 2.062 40 0 GEABMO CC(C)C[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000019743485 570213158 /nfs/dbraw/zinc/21/31/58/570213158.db2.gz SEPXGYRIFUWTMF-GFCCVEGCSA-N 1 1 398.429 2.486 40 0 GEABMO CCc1nc(C)c(C(=O)N2CCC([C@@H]3CCCC[N@H+]3CC(=O)N(C)C)CC2)o1 ZINC000019746325 570213724 /nfs/dbraw/zinc/21/37/24/570213724.db2.gz OCZVIPPQKORHKW-KRWDZBQOSA-N 1 1 390.528 2.340 40 0 GEABMO C[N@@H+](Cc1cccnc1)[C@@H]1COC2(C1)CCN(C(=O)NCc1cccnc1)CC2 ZINC000096220876 570219958 /nfs/dbraw/zinc/21/99/58/570219958.db2.gz BFUXETVADCRVHZ-FQEVSTJZSA-N 1 1 395.507 2.442 40 0 GEABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(C(=O)c1ccc(OC)cc1)CC3 ZINC000096262440 570226224 /nfs/dbraw/zinc/22/62/24/570226224.db2.gz DWDGIHMKODYFHL-WMZHIEFXSA-N 1 1 399.535 2.396 40 0 GEABMO CC(C)[N@H+]1CC[C@@H](c2nnc3ccc(C(=O)NCCc4cccnc4)cn32)C1 ZINC000096267449 570227765 /nfs/dbraw/zinc/22/77/65/570227765.db2.gz ZUSFHRASGXNEAG-QGZVFWFLSA-N 1 1 378.480 2.295 40 0 GEABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000019932560 570231082 /nfs/dbraw/zinc/23/10/82/570231082.db2.gz UZKIVMZTJVBVTC-UHFFFAOYSA-N 1 1 385.445 2.430 40 0 GEABMO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585272831 570242438 /nfs/dbraw/zinc/24/24/38/570242438.db2.gz JUQICDZHJVXUNR-QFIPXVFZSA-N 1 1 384.476 2.217 40 0 GEABMO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585272831 570242444 /nfs/dbraw/zinc/24/24/44/570242444.db2.gz JUQICDZHJVXUNR-QFIPXVFZSA-N 1 1 384.476 2.217 40 0 GEABMO CCOC(=O)N1CCC([N@H+]2CCOC[C@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585283519 570251678 /nfs/dbraw/zinc/25/16/78/570251678.db2.gz RNHBMOMLPLTHEN-NRFANRHFSA-N 1 1 392.496 2.058 40 0 GEABMO C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585285783 570255366 /nfs/dbraw/zinc/25/53/66/570255366.db2.gz TXYJSOGHYKKXQA-FPOVZHCZSA-N 1 1 388.895 2.410 40 0 GEABMO CC[NH+]1CCN(C(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)CC1 ZINC000113962789 570336930 /nfs/dbraw/zinc/33/69/30/570336930.db2.gz TXLMQKIJKRNDLG-UHFFFAOYSA-N 1 1 381.542 2.014 40 0 GEABMO c1ccc(CCn2nnnc2[C@H](c2cccnc2)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000022931194 570379248 /nfs/dbraw/zinc/37/92/48/570379248.db2.gz XYYWYLNMDXRUDO-SFTDATJTSA-N 1 1 389.507 2.180 40 0 GEABMO CN(c1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)S(C)(=O)=O ZINC000222410005 570409876 /nfs/dbraw/zinc/40/98/76/570409876.db2.gz OXZMQHPXMVHTQY-UHFFFAOYSA-N 1 1 387.505 2.040 40 0 GEABMO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)[nH]1 ZINC000223206255 570449867 /nfs/dbraw/zinc/44/98/67/570449867.db2.gz ZPERSGHFQOZRQZ-MOPGFXCFSA-N 1 1 385.537 2.413 40 0 GEABMO CN1C(SCc2ccc(Br)cc2F)=[NH+][C@@H]2CS(=O)(=O)C[C@H]21 ZINC000032508719 570510980 /nfs/dbraw/zinc/51/09/80/570510980.db2.gz BEHXZYODFHCKDC-VXGBXAGGSA-N 1 1 393.303 2.288 40 0 GEABMO COc1cccc([C@H](c2nnnn2CCC(C)C)N2CC[NH+](C)CC2)c1OC ZINC000019447005 570925880 /nfs/dbraw/zinc/92/58/80/570925880.db2.gz GYALPCJPISJIAL-GOSISDBHSA-N 1 1 388.516 2.073 40 0 GEABMO Cc1ccc(CNC(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CC(C)C)C[C@@H]23)cc1 ZINC000585106243 570936224 /nfs/dbraw/zinc/93/62/24/570936224.db2.gz YXDVIZBOSNPVIM-UXHICEINSA-N 1 1 398.551 2.373 40 0 GEABMO COc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000020141047 570941914 /nfs/dbraw/zinc/94/19/14/570941914.db2.gz ZEYBDMHALDAFSH-HXUWFJFHSA-N 1 1 378.480 2.067 40 0 GEABMO CN1CC[NH+](C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000020151132 570942473 /nfs/dbraw/zinc/94/24/73/570942473.db2.gz YJXXVJCLYQHMBN-UHFFFAOYSA-N 1 1 379.570 2.385 40 0 GEABMO CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019022327 570955113 /nfs/dbraw/zinc/95/51/13/570955113.db2.gz PVTKGEXDASYZSI-QGZVFWFLSA-N 1 1 393.491 2.443 40 0 GEABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H](Cn2nnc3c2nc(C)[nH]c3=O)C1 ZINC000019235991 570966597 /nfs/dbraw/zinc/96/65/97/570966597.db2.gz HSCKDIQGCMPHMF-OAHLLOKOSA-N 1 1 382.468 2.052 40 0 GEABMO CCC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4cnccn4)CC3)ccc21 ZINC000019498899 570991723 /nfs/dbraw/zinc/99/17/23/570991723.db2.gz ABMFTCLEGCFVCM-FQEVSTJZSA-N 1 1 395.507 2.021 40 0 GEABMO CC[N@H+]1CCC[C@H]1CN(Cc1cnc(N2CCOCC2)nc1)Cc1ccccn1 ZINC000019527176 570997668 /nfs/dbraw/zinc/99/76/68/570997668.db2.gz GACUGYVRFJZYCN-NRFANRHFSA-N 1 1 396.539 2.195 40 0 GEABMO COc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)c(OC)c1 ZINC000019552194 571001410 /nfs/dbraw/zinc/00/14/10/571001410.db2.gz OTWTZFHASQFAKE-OAHLLOKOSA-N 1 1 384.480 2.377 40 0 GEABMO Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)n1 ZINC000019572704 571010465 /nfs/dbraw/zinc/01/04/65/571010465.db2.gz RCOGPZSIJOSUMX-IAGOWNOFSA-N 1 1 382.512 2.245 40 0 GEABMO Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019580671 571013149 /nfs/dbraw/zinc/01/31/49/571013149.db2.gz RQTIXRIJUWDTTD-INIZCTEOSA-N 1 1 383.496 2.408 40 0 GEABMO COc1ccc(OCC(=O)N2CCc3nc([C@@H]4CCC[N@@H+](C)C4)ncc3C2)cc1 ZINC000019588583 571016657 /nfs/dbraw/zinc/01/66/57/571016657.db2.gz WOWGIGNPUCOSEU-MRXNPFEDSA-N 1 1 396.491 2.258 40 0 GEABMO C[N@H+]1CCc2nc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)ncc2C1 ZINC000019590490 571018121 /nfs/dbraw/zinc/01/81/21/571018121.db2.gz RJTQWXMYSCBQDP-AWEZNQCLSA-N 1 1 390.484 2.172 40 0 GEABMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC(COc3ccc(Cl)cc3)CC2)C1 ZINC000019663755 571027031 /nfs/dbraw/zinc/02/70/31/571027031.db2.gz HAGUAUYUDNREME-INIZCTEOSA-N 1 1 393.915 2.155 40 0 GEABMO C[N@@H+]1CCc2nnc([C@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)n2CC1 ZINC000019710703 571034763 /nfs/dbraw/zinc/03/47/63/571034763.db2.gz VAWHPOOVAXCYJK-GOSISDBHSA-N 1 1 378.480 2.154 40 0 GEABMO CC[NH+]1CCN(C(=O)c2nnc3sc(-c4ccc(Cl)cc4)nn32)CC1 ZINC000057354670 531819155 /nfs/dbraw/zinc/81/91/55/531819155.db2.gz QUNABFAGNJKVSP-UHFFFAOYSA-N 1 1 376.873 2.284 40 0 GEABMO CCc1nn(CC(=O)NCCC[N@H+]2CCCC[C@H]2C)c(=O)c2cc3occc3n21 ZINC000005149440 204115045 /nfs/dbraw/zinc/11/50/45/204115045.db2.gz ZGDNNNVHZKUUSE-OAHLLOKOSA-N 1 1 399.495 2.185 40 0 GEABMO Cc1cc2occ(CC(=O)N(CC[NH+](C)C)[C@@H]3CCS(=O)(=O)C3)c2cc1C ZINC000012360932 204399930 /nfs/dbraw/zinc/39/99/30/204399930.db2.gz KKVAZQOGFWPZPG-QGZVFWFLSA-N 1 1 392.521 2.169 40 0 GEABMO CCc1nc(N2CCOCC2)ncc1C(=O)NC(C)(C)C[N@H+]1CCC[C@H](C)C1 ZINC000012203261 204383031 /nfs/dbraw/zinc/38/30/31/204383031.db2.gz MLKAAXMRWRMEMG-INIZCTEOSA-N 1 1 389.544 2.116 40 0 GEABMO Cn1cc(C[N@H+]2CCC[C@@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cn1 ZINC000072359062 205333885 /nfs/dbraw/zinc/33/38/85/205333885.db2.gz AMYRIHFFGZTFJC-GOSISDBHSA-N 1 1 376.464 2.356 40 0 GEABMO Cn1cncc1C[N@@H+]1CCC[C@@H](c2nccnc2Oc2ccc(C(N)=O)cc2)C1 ZINC000072363158 205335493 /nfs/dbraw/zinc/33/54/93/205335493.db2.gz WJKGZLCEFGIYSN-MRXNPFEDSA-N 1 1 392.463 2.481 40 0 GEABMO Cn1cncc1C[N@H+]1CCC[C@@H](c2nccnc2Oc2ccc(C(N)=O)cc2)C1 ZINC000072363158 205335497 /nfs/dbraw/zinc/33/54/97/205335497.db2.gz WJKGZLCEFGIYSN-MRXNPFEDSA-N 1 1 392.463 2.481 40 0 GEABMO CCOCc1ccc(C(=O)N2CCC(c3nnc4n3CC[N@H+](C)C4)CC2)cc1 ZINC000072372070 205335569 /nfs/dbraw/zinc/33/55/69/205335569.db2.gz JFZOAZWLCAIECC-UHFFFAOYSA-N 1 1 383.496 2.280 40 0 GEABMO Cn1c(=O)c2ccc([C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)nc2n(C)c1=O ZINC000072374587 205337368 /nfs/dbraw/zinc/33/73/68/205337368.db2.gz TUHKRROGAXYMSN-SFHVURJKSA-N 1 1 382.439 2.499 40 0 GEABMO Cn1c(=O)c2ccc([C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)nc2n(C)c1=O ZINC000072374587 205337372 /nfs/dbraw/zinc/33/73/72/205337372.db2.gz TUHKRROGAXYMSN-SFHVURJKSA-N 1 1 382.439 2.499 40 0 GEABMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000072377297 205337802 /nfs/dbraw/zinc/33/78/02/205337802.db2.gz WXXQTRDYGNIICX-LJQANCHMSA-N 1 1 394.475 2.368 40 0 GEABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000072377297 205337805 /nfs/dbraw/zinc/33/78/05/205337805.db2.gz WXXQTRDYGNIICX-LJQANCHMSA-N 1 1 394.475 2.368 40 0 GEABMO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN3S(=O)(=O)N(C)C)c2)n1 ZINC000072372527 205337949 /nfs/dbraw/zinc/33/79/49/205337949.db2.gz RMWMSHONOHYTPY-QGZVFWFLSA-N 1 1 390.513 2.484 40 0 GEABMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc3n2CC[N@H+](C)C3)cc1F ZINC000072374009 205337999 /nfs/dbraw/zinc/33/79/99/205337999.db2.gz YODOQNVYBIBACI-INIZCTEOSA-N 1 1 393.488 2.087 40 0 GEABMO C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373104 205338597 /nfs/dbraw/zinc/33/85/97/205338597.db2.gz GAXWQFPSCCAMEE-KSZLIROESA-N 1 1 386.540 2.406 40 0 GEABMO 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O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](CC1CC1)C[C@H]2c1cccnc1 ZINC000306140104 206205050 /nfs/dbraw/zinc/20/50/50/206205050.db2.gz UJYRJPOHWOIQRS-UNMCSNQZSA-N 1 1 378.476 2.084 40 0 GEABMO O=C1N(CC2CC2)CCO[C@]12C[N@H+](Cc1nccs1)C[C@H]2c1cccnc1 ZINC000306140793 206205933 /nfs/dbraw/zinc/20/59/33/206205933.db2.gz VEJKWLNHSFJFHP-PXNSSMCTSA-N 1 1 384.505 2.145 40 0 GEABMO O=C1N(CC2CC2)CCO[C@]12C[N@@H+](Cc1nccs1)C[C@H]2c1cccnc1 ZINC000306140793 206205935 /nfs/dbraw/zinc/20/59/35/206205935.db2.gz VEJKWLNHSFJFHP-PXNSSMCTSA-N 1 1 384.505 2.145 40 0 GEABMO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccoc1)CCC2 ZINC000306141281 206207210 /nfs/dbraw/zinc/20/72/10/206207210.db2.gz VQMCQFAZNPUAIK-SIKLNZKXSA-N 1 1 395.507 2.314 40 0 GEABMO O=C(NCc1ccccc1)c1nnc2n1CC[C@@H]1C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306127141 206197222 /nfs/dbraw/zinc/19/72/22/206197222.db2.gz FPJGOIKLVHSQPR-SJLPKXTDSA-N 1 1 377.448 2.420 40 0 GEABMO O=C(NCc1ccccc1)c1nnc2n1CC[C@H]1C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306127140 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ZINC000096250972 570224717 /nfs/dbraw/zinc/22/47/17/570224717.db2.gz GKRVLXGCPOEMDU-IPMKNSEASA-N 1 1 378.538 2.002 40 0 GEABMO Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)NCC(C)C)c1 ZINC000096250972 570224718 /nfs/dbraw/zinc/22/47/18/570224718.db2.gz GKRVLXGCPOEMDU-IPMKNSEASA-N 1 1 378.538 2.002 40 0 GEABMO CC(C)C[N@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)Cc4ccccc4)CC3)[C@@H]2C1 ZINC000096262215 570226021 /nfs/dbraw/zinc/22/60/21/570226021.db2.gz MNCOPHUGXLZHHF-VQTJNVASSA-N 1 1 383.536 2.266 40 0 GEABMO COc1ccc(C(=O)N2CCC3(CC2)[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2C(=O)N3C)cc1 ZINC000096262213 570226084 /nfs/dbraw/zinc/22/60/84/570226084.db2.gz BCQNAYRVWYXNEC-VQTJNVASSA-N 1 1 399.535 2.346 40 0 GEABMO COCC[N@H+]1CC[C@H](c2nnc3ccc(C(=O)NCc4cccc(F)c4)cn32)C1 ZINC000096267480 570227615 /nfs/dbraw/zinc/22/76/15/570227615.db2.gz YXGNJJGINVNLHS-INIZCTEOSA-N 1 1 397.454 2.234 40 0 GEABMO C[C@]1(C(=O)NCCO)CCCN1Cc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000585272876 570241588 /nfs/dbraw/zinc/24/15/88/570241588.db2.gz NGXUHXQUSYFBCQ-JOCHJYFZSA-N 1 1 389.540 2.014 40 0 GEABMO CCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3Cc2cccc(C)c2)n(C)c1=O ZINC000010329213 570264094 /nfs/dbraw/zinc/26/40/94/570264094.db2.gz VJQYSINIMCPQHU-AWEZNQCLSA-N 1 1 380.452 2.182 40 0 GEABMO C[C@@H]1C[N@@H+](CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCN1C ZINC000022588527 570322220 /nfs/dbraw/zinc/32/22/20/570322220.db2.gz IVGNNRSXOKVDQE-LJQANCHMSA-N 1 1 382.504 2.492 40 0 GEABMO C[C@@H]1CN(CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000022588527 570322221 /nfs/dbraw/zinc/32/22/21/570322221.db2.gz IVGNNRSXOKVDQE-LJQANCHMSA-N 1 1 382.504 2.492 40 0 GEABMO C[C@@H]1CN(CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000022588527 570322223 /nfs/dbraw/zinc/32/22/23/570322223.db2.gz IVGNNRSXOKVDQE-LJQANCHMSA-N 1 1 382.504 2.492 40 0 GEABMO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000034857840 570341849 /nfs/dbraw/zinc/34/18/49/570341849.db2.gz 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O=C(COc1ccc(C[NH+]2CCN(c3nccs3)CC2)cc1)N1CCCC1 ZINC000019656774 571023833 /nfs/dbraw/zinc/02/38/33/571023833.db2.gz BUTFVJDFQDFDJI-UHFFFAOYSA-N 1 1 386.521 2.467 40 0 GEABMO COc1cccc(S(=O)(=O)N2CCCC[C@@H]2c2cc(C[NH+](C)C)n(C)n2)c1 ZINC000019709188 571033814 /nfs/dbraw/zinc/03/38/14/571033814.db2.gz ICACFWJXAPZWFL-LJQANCHMSA-N 1 1 392.525 2.406 40 0 GEABMO C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccoc1)CC3 ZINC000096036305 571096023 /nfs/dbraw/zinc/09/60/23/571096023.db2.gz RNSAFWDNVNDZRO-PGRDOPGGSA-N 1 1 385.508 2.466 40 0 GEABMO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(Cc2ccc(C)o2)CC3)C1=O ZINC000096036424 571096605 /nfs/dbraw/zinc/09/66/05/571096605.db2.gz ZURRFXYWDINYJJ-QFIPXVFZSA-N 1 1 389.540 2.371 40 0 GEABMO CCN1CC[C@]2(C[N@@H+](CCOC)CC23CCN(Cc2ccc(C)o2)CC3)C1=O ZINC000096036424 571096607 /nfs/dbraw/zinc/09/66/07/571096607.db2.gz ZURRFXYWDINYJJ-QFIPXVFZSA-N 1 1 389.540 2.371 40 0 GEABMO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@@H+](Cc1cnn(C)c1)CCC2 ZINC000096056041 571098040 /nfs/dbraw/zinc/09/80/40/571098040.db2.gz VQOOQRMPQPABGE-RXVVDRJESA-N 1 1 383.496 2.097 40 0 GEABMO C[NH+]1CCN(NC(=O)c2cc(Br)cc(Br)c2)CC1 ZINC000005510127 206262625 /nfs/dbraw/zinc/26/26/25/206262625.db2.gz IJYQYHZYCPSOJT-UHFFFAOYSA-N 1 1 377.080 2.104 40 0 GEABMO COc1ccc(CN2C(=O)CO[C@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)cc1 ZINC000067897222 206780162 /nfs/dbraw/zinc/78/01/62/206780162.db2.gz GAACPTWXOHNSOE-NQIIRXRSSA-N 1 1 396.443 2.036 40 0 biogenic,in-vitro GEABMO COc1ccc(CN2C(=O)CO[C@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)cc1 ZINC000067897222 206780166 /nfs/dbraw/zinc/78/01/66/206780166.db2.gz GAACPTWXOHNSOE-NQIIRXRSSA-N 1 1 396.443 2.036 40 0 biogenic,in-vitro GEABMO Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000019237619 207111428 /nfs/dbraw/zinc/11/14/28/207111428.db2.gz MJMQAQYBVOCLQH-KRWDZBQOSA-N 1 1 386.521 2.049 40 0 GEABMO Cn1nc(C2CC2)cc1C(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019288820 207113012 /nfs/dbraw/zinc/11/30/12/207113012.db2.gz IJSOGXYOFHKQDL-HNNXBMFYSA-N 1 1 380.496 2.095 40 0 GEABMO Cn1cc(NC(=O)CN2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cn1 ZINC000019290727 207113734 /nfs/dbraw/zinc/11/37/34/207113734.db2.gz PTZJYWOZWQDUOR-UHFFFAOYSA-N 1 1 384.871 2.382 40 0 GEABMO O=C1N[C@@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)nc3)C2)CCc2ccccc21 ZINC000019375242 207120457 /nfs/dbraw/zinc/12/04/57/207120457.db2.gz TZUFZPDRGRTEIZ-HSZRJFAPSA-N 1 1 392.503 2.239 40 0 GEABMO CCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2OC)CC3)C1 ZINC000019498519 207125862 /nfs/dbraw/zinc/12/58/62/207125862.db2.gz LYZVGMXITKCSEW-INIZCTEOSA-N 1 1 396.491 2.475 40 0 GEABMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000019448031 207121212 /nfs/dbraw/zinc/12/12/12/207121212.db2.gz DZTVTIPXYBIHOY-GOSISDBHSA-N 1 1 376.476 2.353 40 0 GEABMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000019448031 207121215 /nfs/dbraw/zinc/12/12/15/207121215.db2.gz DZTVTIPXYBIHOY-GOSISDBHSA-N 1 1 376.476 2.353 40 0 GEABMO 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biogenic,in-vitro GEABMO O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(CCc4ccccc4)C3)[N@H+]2C1 ZINC000514290172 560030204 /nfs/dbraw/zinc/03/02/04/560030204.db2.gz UYIXMYFEALTNHT-DHIUTWEWSA-N 1 1 377.532 2.235 40 0 biogenic,in-vitro GEABMO O[C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3)CC3(CN(CCc4ccccc4)C3)N2C1 ZINC000514290175 560030329 /nfs/dbraw/zinc/03/03/29/560030329.db2.gz UYIXMYFEALTNHT-XZOQPEGZSA-N 1 1 377.532 2.235 40 0 biogenic,in-vitro GEABMO O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(CCc4ccccc4)C3)[N@@H+]2C1 ZINC000514290175 560030331 /nfs/dbraw/zinc/03/03/31/560030331.db2.gz UYIXMYFEALTNHT-XZOQPEGZSA-N 1 1 377.532 2.235 40 0 biogenic,in-vitro GEABMO O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(CCc4ccccc4)C3)[N@H+]2C1 ZINC000514290175 560030333 /nfs/dbraw/zinc/03/03/33/560030333.db2.gz UYIXMYFEALTNHT-XZOQPEGZSA-N 1 1 377.532 2.235 40 0 biogenic,in-vitro GEABMO CCC[N@H+]1CCC[C@H]1c1nc(-c2ccnc(N3CCC(C(N)=O)CC3)c2)no1 ZINC000035424705 560081126 /nfs/dbraw/zinc/08/11/26/560081126.db2.gz BQKLWZWRADQZRN-INIZCTEOSA-N 1 1 384.484 2.380 40 0 biogenic,in-vitro GEABMO COc1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCCO)cc2)c1 ZINC000585269788 570238650 /nfs/dbraw/zinc/23/86/50/570238650.db2.gz JKNOHLGYKDLCJA-GOSISDBHSA-N 1 1 375.465 2.328 40 0 GEABMO CCOC(=O)N1CCC([N@H+]2CCOC[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585283520 570251904 /nfs/dbraw/zinc/25/19/04/570251904.db2.gz RNHBMOMLPLTHEN-OAQYLSRUSA-N 1 1 392.496 2.058 40 0 GEABMO CCOC(=O)N1CCC([N@H+]2CCOC[C@@](O)(COc3ccccc3C)C2)CC1 ZINC000585288162 570259061 /nfs/dbraw/zinc/25/90/61/570259061.db2.gz YEKQWNINRLEPEC-OAQYLSRUSA-N 1 1 392.496 2.058 40 0 GEABMO c1ccc(CCn2nnnc2[C@@H](c2cccnc2)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000022584626 570348262 /nfs/dbraw/zinc/34/82/62/570348262.db2.gz XYYWYLNMDXRUDO-NHCUHLMSSA-N 1 1 389.507 2.180 40 0 GEABMO CC[NH+]1CCN(C(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 ZINC000008499440 570532840 /nfs/dbraw/zinc/53/28/40/570532840.db2.gz RLBQOBSJROELGP-UHFFFAOYSA-N 1 1 387.933 2.050 40 0 GEABMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000036719494 570568033 /nfs/dbraw/zinc/56/80/33/570568033.db2.gz MYBREMUVPWPIGV-IRXDYDNUSA-N 1 1 376.464 2.116 40 0 GEABMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000036719494 570568037 /nfs/dbraw/zinc/56/80/37/570568037.db2.gz MYBREMUVPWPIGV-IRXDYDNUSA-N 1 1 376.464 2.116 40 0 GEABMO Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCC[NH+]1CCOCC1 ZINC000225595106 570592346 /nfs/dbraw/zinc/59/23/46/570592346.db2.gz RZZSQIFXYYEHRG-SILNSSARSA-N 1 1 397.475 2.197 40 0 GEABMO COc1ccc(C[N@H+]2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)cc1OC ZINC000012085354 570606329 /nfs/dbraw/zinc/60/63/29/570606329.db2.gz OZJOLXZBISSDSA-MRXNPFEDSA-N 1 1 395.467 2.060 40 0 GEABMO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1C(=O)Cn1ncc2ccccc2c1=O ZINC000012156509 570618528 /nfs/dbraw/zinc/61/85/28/570618528.db2.gz WBMRVMIBZAIABX-HXUWFJFHSA-N 1 1 394.475 2.359 40 0 GEABMO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)Cn1ncc2ccccc2c1=O ZINC000012156509 570618532 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1 376.420 2.074 40 0 GEABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)S(=O)(=O)N1CCCC1 ZINC000257281286 570902744 /nfs/dbraw/zinc/90/27/44/570902744.db2.gz OOKUAXPLQKNEFP-QAQDUYKDSA-N 1 1 397.589 2.028 40 0 GEABMO c1ccc(CCn2nnnc2[C@H](c2cccnc2)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000019371456 570925268 /nfs/dbraw/zinc/92/52/68/570925268.db2.gz XYYWYLNMDXRUDO-RTWAWAEBSA-N 1 1 389.507 2.180 40 0 GEABMO C[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2ccccc2F)CC1 ZINC000019589936 570928322 /nfs/dbraw/zinc/92/83/22/570928322.db2.gz AOMNEHHJJYOWGF-LJQANCHMSA-N 1 1 384.434 2.336 40 0 GEABMO C[N@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)c3ccnc(F)c3)C2)C1 ZINC000585102983 570931489 /nfs/dbraw/zinc/93/14/89/570931489.db2.gz NTQKUEOXZJTZJB-WIYYLYMNSA-N 1 1 384.455 2.226 40 0 GEABMO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CC[C@@H](O)C4)C3)CC2)cc1F ZINC000585104841 570934188 /nfs/dbraw/zinc/93/41/88/570934188.db2.gz UIAVPNBNWHEROA-MSOLQXFVSA-N 1 1 376.472 2.212 40 0 GEABMO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000585106088 570935861 /nfs/dbraw/zinc/93/58/61/570935861.db2.gz KSUGVXXFXRIEEW-UXHICEINSA-N 1 1 398.551 2.061 40 0 GEABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2scnc2C)CC1 ZINC000585106236 570936191 /nfs/dbraw/zinc/93/61/91/570936191.db2.gz GUFTUZBMZYQXDT-IMJJTQAJSA-N 1 1 390.553 2.293 40 0 GEABMO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000409339302 231191628 /nfs/dbraw/zinc/19/16/28/231191628.db2.gz TWJGRZVXABYJLX-UHFFFAOYSA-N 1 1 387.505 2.208 40 0 GEABMO COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccccc2OC)nn1C ZINC000012601967 291115578 /nfs/dbraw/zinc/11/55/78/291115578.db2.gz HWSNHBDNOFZXAH-JZXOWHBKSA-N 1 1 398.507 2.036 40 0 biogenic,in-vitro GEABMO C[N@H+]1CCc2ncnc(-c3ccccc3)c2C[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000306143325 209108364 /nfs/dbraw/zinc/10/83/64/209108364.db2.gz XYZHLJMGXQSIJE-MSOLQXFVSA-N 1 1 380.492 2.085 40 0 GEABMO 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O=C(COc1ccc(C2SCCS2)cc1)NCCC[NH+]1CCOCC1 ZINC000408568499 231065661 /nfs/dbraw/zinc/06/56/61/231065661.db2.gz JWBHSNHGCYKJNW-UHFFFAOYSA-N 1 1 382.551 2.383 40 0 GEABMO Cn1cc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)cn1 ZINC000306140686 209107169 /nfs/dbraw/zinc/10/71/69/209107169.db2.gz VAVTYIGASWRCGA-UXHICEINSA-N 1 1 379.439 2.442 40 0 GEABMO Cn1cc(C[N@H+]2C[C@@H]3[C@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)cn1 ZINC000306140686 209107172 /nfs/dbraw/zinc/10/71/72/209107172.db2.gz VAVTYIGASWRCGA-UXHICEINSA-N 1 1 379.439 2.442 40 0 GEABMO C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CCN21 ZINC000253403962 206283358 /nfs/dbraw/zinc/28/33/58/206283358.db2.gz QSRAXLIKHQWSMY-VWNXMTODSA-N 1 1 393.531 2.009 40 0 biogenic,in-vitro GEABMO Cc1nc(C)n(CC(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)n1 ZINC000019285751 207111850 /nfs/dbraw/zinc/11/18/50/207111850.db2.gz BHVXAHGZJNFKPJ-UHFFFAOYSA-N 1 1 384.871 2.445 40 0 GEABMO CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000019454431 207124297 /nfs/dbraw/zinc/12/42/97/207124297.db2.gz NIAWLKSFNUAVPK-UHFFFAOYSA-N 1 1 383.452 2.476 40 0 GEABMO CC(=O)N1c2ccc([C@H](O)C[NH+]3CCN(c4ccccn4)CC3)cc2C[C@@H]1C ZINC000019497797 207125946 /nfs/dbraw/zinc/12/59/46/207125946.db2.gz MLQBEAMXCKKMAK-HRAATJIYSA-N 1 1 380.492 2.235 40 0 GEABMO Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)n1 ZINC000019572710 207137900 /nfs/dbraw/zinc/13/79/00/207137900.db2.gz RCOGPZSIJOSUMX-SJORKVTESA-N 1 1 382.512 2.245 40 0 GEABMO COc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)c(C)c1C ZINC000019577388 207138027 /nfs/dbraw/zinc/13/80/27/207138027.db2.gz CRYQBGLZDWOJRX-UHFFFAOYSA-N 1 1 377.448 2.411 40 0 GEABMO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@H+](Cc1ccc(O)cc1)CC3 ZINC000019550837 207131028 /nfs/dbraw/zinc/13/10/28/207131028.db2.gz CADBFEWTPFAUJL-UHFFFAOYSA-N 1 1 381.432 2.178 40 0 GEABMO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@@H+](Cc1ccc(O)cc1)CC3 ZINC000019550837 207131030 /nfs/dbraw/zinc/13/10/30/207131030.db2.gz CADBFEWTPFAUJL-UHFFFAOYSA-N 1 1 381.432 2.178 40 0 GEABMO CCOc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc1 ZINC000019533391 207131530 /nfs/dbraw/zinc/13/15/30/207131530.db2.gz KMIHVQHKGJMMCN-UHFFFAOYSA-N 1 1 377.448 2.226 40 0 GEABMO COc1cccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c1 ZINC000019590419 207140717 /nfs/dbraw/zinc/14/07/17/207140717.db2.gz LTWSGYBGFBCCJQ-KRWDZBQOSA-N 1 1 380.492 2.422 40 0 GEABMO C[N@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)Cn1cccnc1=O ZINC000019589154 207141422 /nfs/dbraw/zinc/14/14/22/207141422.db2.gz OOGJPBSHMXXMMS-SFHLNBCPSA-N 1 1 380.492 2.112 40 0 GEABMO COc1ccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1OC ZINC000019590610 207142414 /nfs/dbraw/zinc/14/24/14/207142414.db2.gz HASUSJNGWIYJOZ-MRXNPFEDSA-N 1 1 396.491 2.040 40 0 GEABMO C[N@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)c2nccc4ccccc42)CC3)C1 ZINC000019709252 207151000 /nfs/dbraw/zinc/15/10/00/207151000.db2.gz INXIQBONICDJKU-KRWDZBQOSA-N 1 1 390.491 2.334 40 0 GEABMO Cc1nc(N2CCOCC2)sc1-c1cncn1[C@H](C)C[NH+]1CCOCC1 ZINC000019719414 207155862 /nfs/dbraw/zinc/15/58/62/207155862.db2.gz IONKMNYCGSKOHO-CQSZACIVSA-N 1 1 377.514 2.045 40 0 GEABMO Cc1nc(CC(=O)N2CCC([C@@H]3CCCC[N@@H+]3CC(=O)N(C)C)CC2)cs1 ZINC000019746320 207156707 /nfs/dbraw/zinc/15/67/07/207156707.db2.gz VGDJHYQFWVXRSC-SFHVURJKSA-N 1 1 392.569 2.175 40 0 GEABMO Cn1c(=O)c2ccc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)nc2n(C)c1=O ZINC000019743465 207157364 /nfs/dbraw/zinc/15/73/64/207157364.db2.gz OEPUJSHUAHHCRT-QGZVFWFLSA-N 1 1 378.476 2.054 40 0 GEABMO CN([C@@H]1CCC[N@@H+](Cc2cnn(C)c2)CC1)S(=O)(=O)Cc1ccccc1 ZINC000019749689 207159136 /nfs/dbraw/zinc/15/91/36/207159136.db2.gz GTQHUJWTHCQLAV-LJQANCHMSA-N 1 1 376.526 2.236 40 0 GEABMO NC(=O)CC[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352399 208001384 /nfs/dbraw/zinc/00/13/84/208001384.db2.gz ALUMJBFVAJYSAZ-AWEZNQCLSA-N 1 1 387.505 2.038 40 0 GEABMO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000072373105 208006246 /nfs/dbraw/zinc/00/62/46/208006246.db2.gz GAXWQFPSCCAMEE-SQNIBIBYSA-N 1 1 386.540 2.406 40 0 GEABMO O=C(c1ccc2ncccc2c1)N1CCO[C@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096076625 208260751 /nfs/dbraw/zinc/26/07/51/208260751.db2.gz CYCRXHAWAUBNCH-JOCHJYFZSA-N 1 1 381.476 2.188 40 0 GEABMO C[NH+](C)C1CCN(C(=O)C2=NO[C@@]3(CCN(CCc4ccccc4)C3)C2)CC1 ZINC000096225681 208288716 /nfs/dbraw/zinc/28/87/16/208288716.db2.gz KUIJHTPGELAZJZ-QFIPXVFZSA-N 1 1 384.524 2.003 40 0 GEABMO C[NH+](C)C1CCN(C(=O)C2=NO[C@]3(CCN(CCc4ccccc4)C3)C2)CC1 ZINC000096225680 208289148 /nfs/dbraw/zinc/28/91/48/208289148.db2.gz KUIJHTPGELAZJZ-JOCHJYFZSA-N 1 1 384.524 2.003 40 0 GEABMO CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)Cc4ccccc4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096262420 208297404 /nfs/dbraw/zinc/29/74/04/208297404.db2.gz FMNBYBYDCAAUAR-WMZHIEFXSA-N 1 1 383.536 2.268 40 0 GEABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306137530 209103561 /nfs/dbraw/zinc/10/35/61/209103561.db2.gz QZEVCHAYKHEUGY-DENIHFKCSA-N 1 1 396.539 2.426 40 0 GEABMO c1csc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 ZINC000306136600 209103449 /nfs/dbraw/zinc/10/34/49/209103449.db2.gz PXUHDDIZHVETKN-HNNXBMFYSA-N 1 1 384.509 2.402 40 0 GEABMO c1csc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 ZINC000306136600 209103453 /nfs/dbraw/zinc/10/34/53/209103453.db2.gz PXUHDDIZHVETKN-HNNXBMFYSA-N 1 1 384.509 2.402 40 0 GEABMO O=C1N(CC2CC2)CCO[C@]12C[N@@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306128786 209099488 /nfs/dbraw/zinc/09/94/88/209099488.db2.gz HKJNKNPWEYEKEQ-IRLDBZIGSA-N 1 1 378.476 2.084 40 0 GEABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000225586110 208960837 /nfs/dbraw/zinc/96/08/37/208960837.db2.gz GCUGVEYZFGGJNX-QGZVFWFLSA-N 1 1 381.542 2.078 40 0 GEABMO O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCOCC1)Nc1ccc(F)cc1F ZINC000095252491 209005071 /nfs/dbraw/zinc/00/50/71/209005071.db2.gz OMBWYWYISNHSHM-YQQAZPJKSA-N 1 1 394.466 2.129 40 0 biogenic,in-vitro GEABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccncc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306124326 209096519 /nfs/dbraw/zinc/09/65/19/209096519.db2.gz BMSLTEYOVUWYPU-UGKGYDQZSA-N 1 1 397.523 2.324 40 0 GEABMO Cc1cc(C)cc(C[N@H+]2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)c1 ZINC000306123021 209094716 /nfs/dbraw/zinc/09/47/16/209094716.db2.gz ACMDIYQABWTXRA-MOPGFXCFSA-N 1 1 380.492 2.051 40 0 GEABMO Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[C@@H]([NH+]4CCOCC4)[C@@H]3O)no2)cc1 ZINC000257200699 209052725 /nfs/dbraw/zinc/05/27/25/209052725.db2.gz AENKWUXERWEGEO-SFHLNBCPSA-N 1 1 399.491 2.336 40 0 GEABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@H+](CC(=O)Nc3nccs3)CC[C@H]21 ZINC000257204003 209055422 /nfs/dbraw/zinc/05/54/22/209055422.db2.gz ASPKFBSPJFVPHR-KZNAEPCWSA-N 1 1 384.505 2.418 40 0 GEABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@@H+](CC(=O)Nc3nccs3)CC[C@H]21 ZINC000257204003 209055424 /nfs/dbraw/zinc/05/54/24/209055424.db2.gz ASPKFBSPJFVPHR-KZNAEPCWSA-N 1 1 384.505 2.418 40 0 GEABMO CCOc1ccccc1C[N@@H+]1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)C1 ZINC000072347183 136168854 /nfs/dbraw/zinc/16/88/54/136168854.db2.gz MJHDEYIQPSSNJW-HZPDHXFCSA-N 1 1 398.507 2.341 40 0 GEABMO CCOc1ccccc1C[N@H+]1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)C1 ZINC000072347183 136168855 /nfs/dbraw/zinc/16/88/55/136168855.db2.gz MJHDEYIQPSSNJW-HZPDHXFCSA-N 1 1 398.507 2.341 40 0 GEABMO Cc1ccc(N2CC[N@@H+](CC3CC3)C3(CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)C2=O)cn1 ZINC000096230394 136185236 /nfs/dbraw/zinc/18/52/36/136185236.db2.gz AGAWGTRAMUIXHQ-OXJNMPFZSA-N 1 1 396.535 2.466 40 0 GEABMO Cc1ccc(N2CC[N@H+](CC3CC3)C3(CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)C2=O)cn1 ZINC000096230394 136185237 /nfs/dbraw/zinc/18/52/37/136185237.db2.gz AGAWGTRAMUIXHQ-OXJNMPFZSA-N 1 1 396.535 2.466 40 0 GEABMO O[C@@H]1C[C@@H]2C[N@@H+](CCc3ccccc3)CC3(CN(CCc4ccccc4)C3)N2C1 ZINC000514290450 560029166 /nfs/dbraw/zinc/02/91/66/560029166.db2.gz ZYLHCAZPLPSWJK-DNQXCXABSA-N 1 1 391.559 2.277 40 0 biogenic,in-vitro GEABMO O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(CCc4ccccc4)C3)[N@@H+]2C1 ZINC000514290450 560029168 /nfs/dbraw/zinc/02/91/68/560029168.db2.gz ZYLHCAZPLPSWJK-DNQXCXABSA-N 1 1 391.559 2.277 40 0 biogenic,in-vitro GEABMO O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(CCc4ccccc4)C3)[N@H+]2C1 ZINC000514290450 560029170 /nfs/dbraw/zinc/02/91/70/560029170.db2.gz ZYLHCAZPLPSWJK-DNQXCXABSA-N 1 1 391.559 2.277 40 0 biogenic,in-vitro GEABMO O=C(C[NH+]1CCC(O)(COc2ccccc2F)CC1)NCc1cccc(F)c1 ZINC000585271779 570242071 /nfs/dbraw/zinc/24/20/71/570242071.db2.gz CSDGTTXDJWUQAI-UHFFFAOYSA-N 1 1 390.430 2.487 40 0 GEABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCC[C@@]3(C)[C@@H]2CCCCN3C(C)=O)CC1 ZINC000585285158 570254398 /nfs/dbraw/zinc/25/43/98/570254398.db2.gz WIOQBBFFHRPXBJ-ICSRJNTNSA-N 1 1 395.544 2.225 40 0 GEABMO O[C@H]1CC[N@@H+](CC2(O)CCCCCC2)C[C@]1(O)COc1cccc(F)c1F ZINC000585287583 570259012 /nfs/dbraw/zinc/25/90/12/570259012.db2.gz OWEMJQACHFXWSO-PXNSSMCTSA-N 1 1 385.451 2.227 40 0 GEABMO CN(C)C(=O)c1ccc(C[N@H+]2C[C@H](c3ccc(Cl)cc3)[C@@H](O)[C@H]2CO)cc1 ZINC000585291689 570260254 /nfs/dbraw/zinc/26/02/54/570260254.db2.gz BDGDJBSIYGWLAC-VAMGGRTRSA-N 1 1 388.895 2.363 40 0 GEABMO C[NH+]1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000002479164 570288128 /nfs/dbraw/zinc/28/81/28/570288128.db2.gz BZDIRDZFHCCDPJ-UHFFFAOYSA-N 1 1 383.477 2.182 40 0 GEABMO CCCCOC(=O)c1ccc(NC(=O)C[C@H]2[NH2+][C@H]3CCCC[C@H]3NC2=O)cc1 ZINC000008215812 570363930 /nfs/dbraw/zinc/36/39/30/570363930.db2.gz KACGZIBEUJYNHK-RCCFBDPRSA-N 1 1 387.480 2.371 40 0 GEABMO COc1cc2c(cc1OC)[C@]13CC[N@H+]4CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43 ZINC000013813103 570426312 /nfs/dbraw/zinc/42/63/12/570426312.db2.gz RRKTZKIUPZVBMF-VCPPCEDPSA-N 1 1 394.471 2.110 40 0 GEABMO CC1CCC([NH+]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000035311627 570466660 /nfs/dbraw/zinc/46/66/60/570466660.db2.gz JNYDOHLUZMLPDZ-UHFFFAOYSA-N 1 1 380.510 2.343 40 0 GEABMO 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136183365 /nfs/dbraw/zinc/18/33/65/136183365.db2.gz ZUUAQJANKWSMAU-NRFANRHFSA-N 1 1 382.439 2.061 40 0 GEABMO CCc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)nc(N(C)C)c3C2)cc1 ZINC000096254017 136185906 /nfs/dbraw/zinc/18/59/06/136185906.db2.gz JEMOJTADBMBDDQ-UHFFFAOYSA-N 1 1 381.524 2.500 40 0 GEABMO CCc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)nc(N(C)C)c3C2)cc1 ZINC000096254017 136185907 /nfs/dbraw/zinc/18/59/07/136185907.db2.gz JEMOJTADBMBDDQ-UHFFFAOYSA-N 1 1 381.524 2.500 40 0 GEABMO CC[NH+]1CCN(C(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000408703076 529123561 /nfs/dbraw/zinc/12/35/61/529123561.db2.gz DMYWJGFYOISKCK-UHFFFAOYSA-N 1 1 387.505 2.293 40 0 GEABMO CCCNC(=O)N1CCC(O)(c2csc(C[N@@H+]3CCC[C@@H]3COC)n2)CC1 ZINC000225466528 560043429 /nfs/dbraw/zinc/04/34/29/560043429.db2.gz PNRUTUVMAQUQFH-OAHLLOKOSA-N 1 1 396.557 2.157 40 0 biogenic,in-vitro GEABMO CCCNC(=O)N1CCC(O)(c2csc(C[N@H+]3CCC[C@@H]3COC)n2)CC1 ZINC000225466528 560043430 /nfs/dbraw/zinc/04/34/30/560043430.db2.gz PNRUTUVMAQUQFH-OAHLLOKOSA-N 1 1 396.557 2.157 40 0 biogenic,in-vitro GEABMO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2C2CCN(C)CC2)n1 ZINC000035424894 560080443 /nfs/dbraw/zinc/08/04/43/560080443.db2.gz YWXNZXPKZCREGV-KRWDZBQOSA-N 1 1 386.500 2.421 40 0 biogenic,in-vitro GEABMO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2C2CCN(C)CC2)n1 ZINC000035424894 560080444 /nfs/dbraw/zinc/08/04/44/560080444.db2.gz YWXNZXPKZCREGV-KRWDZBQOSA-N 1 1 386.500 2.421 40 0 biogenic,in-vitro GEABMO COc1cc2c(cc1OC)[C@@]13CC[N@H+]4CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43 ZINC000004261816 560198044 /nfs/dbraw/zinc/19/80/44/560198044.db2.gz RRKTZKIUPZVBMF-MPCUFMIESA-N 1 1 394.471 2.110 40 0 biogenic,in-vitro GEABMO CN(C)c1ncc(-c2cc(C(=O)N3CCC[N@@H+](C)CC3)n(CC3CC3)c2)cn1 ZINC000096147679 570214588 /nfs/dbraw/zinc/21/45/88/570214588.db2.gz DCJIFIRHZJOJCJ-UHFFFAOYSA-N 1 1 382.512 2.199 40 0 GEABMO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)N1CCOCC1 ZINC000005156720 570245264 /nfs/dbraw/zinc/24/52/64/570245264.db2.gz 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O=C(C[NH+]1CCC(NC(=O)c2ccccc2F)CC1)NCc1ccc(F)cc1 ZINC000004910108 570648439 /nfs/dbraw/zinc/64/84/39/570648439.db2.gz BPBSRHFPEBDZLJ-UHFFFAOYSA-N 1 1 387.430 2.475 40 0 GEABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)C1 ZINC000260732978 570701228 /nfs/dbraw/zinc/70/12/28/570701228.db2.gz DKRFGISPHSYLEA-HNNXBMFYSA-N 1 1 398.598 2.491 40 0 GEABMO COC(=O)C1=C(C[NH+]2C[C@@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057731119 570842835 /nfs/dbraw/zinc/84/28/35/570842835.db2.gz QMWZRJLRSYZWDN-NJSLBKSFSA-N 1 1 387.480 2.454 40 0 GEABMO CCN(CC)C(=O)[C@H]1C[N@@H+](Cc2cccc(OCCO)c2)CC12CCOCC2 ZINC000585102015 570928107 /nfs/dbraw/zinc/92/81/07/570928107.db2.gz YMMCXQVCXUREIH-HXUWFJFHSA-N 1 1 390.524 2.155 40 0 GEABMO Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)s1 ZINC000585105093 570934063 /nfs/dbraw/zinc/93/40/63/570934063.db2.gz XSZNWEPZKDKDIP-DLBZAZTESA-N 1 1 393.553 2.228 40 0 GEABMO Cc1cc(C)cc(C[NH+]2CC3(C2)CC[C@@H](CNS(=O)(=O)C2CC2)CO3)c1 ZINC000585105062 570934241 /nfs/dbraw/zinc/93/42/41/570934241.db2.gz OMSXQRDBEGRTCI-KRWDZBQOSA-N 1 1 378.538 2.366 40 0 GEABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2c(C)noc2C)CC1 ZINC000585106237 570936356 /nfs/dbraw/zinc/93/63/56/570936356.db2.gz HEKLHNOUMJPECV-XKQJLSEDSA-N 1 1 388.512 2.133 40 0 GEABMO O=C(C1CC(O)C1)N1CCO[C@@H](c2[nH+]cn3cc(-c4cccnc4)ccc23)C1 ZINC000585113164 570943587 /nfs/dbraw/zinc/94/35/87/570943587.db2.gz TYDQNTZJFOIYCA-FAFZWHIHSA-N 1 1 378.432 2.067 40 0 GEABMO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3OC)cc2)CCN1C(C)=O ZINC000585168405 570996222 /nfs/dbraw/zinc/99/62/22/570996222.db2.gz ZICJZDLRQSCTCO-FQEVSTJZSA-N 1 1 381.476 2.141 40 0 GEABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3OC)cc2)CCN1C(C)=O ZINC000585168405 570996226 /nfs/dbraw/zinc/99/62/26/570996226.db2.gz ZICJZDLRQSCTCO-FQEVSTJZSA-N 1 1 381.476 2.141 40 0 GEABMO CCOc1ncc([C@@]2(O)CC[C@@H]3C[N@@H+](CC4=CCCOC4)C[C@@H]32)c(OCC)n1 ZINC000019531781 210257780 /nfs/dbraw/zinc/25/77/80/210257780.db2.gz VJORAVXSHVQOLU-MMOPVJDHSA-N 1 1 389.496 2.150 40 0 GEABMO CC1CCN(C(=O)C[N@H+]2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019496716 210252823 /nfs/dbraw/zinc/25/28/23/210252823.db2.gz NKBKIGBFWGISGV-SFHVURJKSA-N 1 1 386.540 2.408 40 0 GEABMO COc1ccccc1C[N@@H+]1CCc2c(nc(N3C[C@H](C)O[C@@H](C)C3)[nH]c2=O)C1 ZINC000019497610 210252918 /nfs/dbraw/zinc/25/29/18/210252918.db2.gz KGPIZTSFFZVSIR-GJZGRUSLSA-N 1 1 384.480 2.363 40 0 GEABMO COc1ccccc1C[N@H+]1CCc2c(nc(N3C[C@H](C)O[C@@H](C)C3)[nH]c2=O)C1 ZINC000019497610 210252921 /nfs/dbraw/zinc/25/29/21/210252921.db2.gz KGPIZTSFFZVSIR-GJZGRUSLSA-N 1 1 384.480 2.363 40 0 GEABMO CCn1ncc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)c1C ZINC000012143375 209912570 /nfs/dbraw/zinc/91/25/70/209912570.db2.gz DUBMOOBVEOPARP-OAQYLSRUSA-N 1 1 394.523 2.349 40 0 GEABMO CCc1ccc(OCC(=O)NCCC[NH+]2CCOCC2)c(Br)c1 ZINC000218863082 532483604 /nfs/dbraw/zinc/48/36/04/532483604.db2.gz ABSTZYXEOOQQAV-UHFFFAOYSA-N 1 1 385.302 2.229 40 0 GEABMO FC1(F)CCN(c2ncc3c(n2)[C@]2(CC[N@H+](Cc4c[nH]cn4)C2)COC3)CC1 ZINC000306141943 212055380 /nfs/dbraw/zinc/05/53/80/212055380.db2.gz WKYPWGJLONUZKK-SFHVURJKSA-N 1 1 390.438 2.109 40 0 GEABMO FC1(F)CCN(c2ncc3c(n2)[C@]2(CC[N@@H+](Cc4c[nH]cn4)C2)COC3)CC1 ZINC000306141943 212055382 /nfs/dbraw/zinc/05/53/82/212055382.db2.gz WKYPWGJLONUZKK-SFHVURJKSA-N 1 1 390.438 2.109 40 0 GEABMO CC(C)CC[N@H+]1C[C@H]2[C@H](C1)S(=O)(=O)CC[C@H]2NC(=O)c1ccc(F)cc1 ZINC000306137852 212053226 /nfs/dbraw/zinc/05/32/26/212053226.db2.gz RIHATXZVVNRGIZ-KURKYZTESA-N 1 1 382.501 2.089 40 0 GEABMO COCC[N@H+]1CCC[C@@]2(C[C@H]3CN(C(=O)c4cccc(N(C)C)c4)C[C@@H]2O3)C1 ZINC000306139844 212052933 /nfs/dbraw/zinc/05/29/33/212052933.db2.gz UCEKXLJPRWRAQN-JAXLGGSGSA-N 1 1 387.524 2.095 40 0 GEABMO c1ccc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)nc1 ZINC000306134279 212051523 /nfs/dbraw/zinc/05/15/23/212051523.db2.gz NHNPRXIITRBIFP-QGZVFWFLSA-N 1 1 378.480 2.341 40 0 GEABMO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccoc3)C[C@H]1C2 ZINC000306131794 212049905 /nfs/dbraw/zinc/04/99/05/212049905.db2.gz KPUDBCDXILSOME-QZTJIDSGSA-N 1 1 377.448 2.105 40 0 GEABMO Cc1nc(CN2C[C@]3(CC[N@@H+](C)C3)Oc3ccccc3S2(=O)=O)cs1 ZINC000306132228 212048505 /nfs/dbraw/zinc/04/85/05/212048505.db2.gz LCFIWJZZTLPHES-QGZVFWFLSA-N 1 1 379.507 2.109 40 0 GEABMO Cc1nc(CN2C[C@]3(CC[N@H+](C)C3)Oc3ccccc3S2(=O)=O)cs1 ZINC000306132228 212048510 /nfs/dbraw/zinc/04/85/10/212048510.db2.gz LCFIWJZZTLPHES-QGZVFWFLSA-N 1 1 379.507 2.109 40 0 GEABMO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@H]1CC[N@@H+](CC3CCCC3)C[C@@H]21 ZINC000306126084 212044378 /nfs/dbraw/zinc/04/43/78/212044378.db2.gz DLUNISKUZOQRQY-RBUKOAKNSA-N 1 1 380.492 2.063 40 0 GEABMO CCc1nc2ccccc2n1CC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257329314 212025858 /nfs/dbraw/zinc/02/58/58/212025858.db2.gz XJICINANVQOVNN-DBXWQHBBSA-N 1 1 381.480 2.327 40 0 GEABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@H+](Cc1coc(C)n1)CC2 ZINC000257317019 212023799 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/nfs/dbraw/zinc/49/45/94/570494594.db2.gz ACLHURZOHSRIQP-WNRNVDISSA-N 1 1 393.830 2.341 40 0 GEABMO Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000224714706 570526430 /nfs/dbraw/zinc/52/64/30/570526430.db2.gz IWGFSYJWIPJEQY-SILNSSARSA-N 1 1 397.475 2.197 40 0 GEABMO CN(CC[NH+](C)C)C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1 ZINC000022926920 570586251 /nfs/dbraw/zinc/58/62/51/570586251.db2.gz CSTRZSVUFCZMNE-XYJFISCASA-N 1 1 379.574 2.073 40 0 biogenic,in-vitro GEABMO CN(C)CC[N@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1 ZINC000022926920 570586252 /nfs/dbraw/zinc/58/62/52/570586252.db2.gz CSTRZSVUFCZMNE-XYJFISCASA-N 1 1 379.574 2.073 40 0 biogenic,in-vitro GEABMO CN(C)CC[N@@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1 ZINC000022926920 570586253 /nfs/dbraw/zinc/58/62/53/570586253.db2.gz CSTRZSVUFCZMNE-XYJFISCASA-N 1 1 379.574 2.073 40 0 biogenic,in-vitro GEABMO Cn1c2ccc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3ccccn3)cc2n(C)c1=O ZINC000012135175 570613996 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GEABMO COc1ccccc1C[N@H+]1Cc2cccn2C[C@H](CCNS(C)(=O)=O)C1 ZINC000585095568 570922327 /nfs/dbraw/zinc/92/23/27/570922327.db2.gz XTMDFQFKTYGYIW-MRXNPFEDSA-N 1 1 377.510 2.068 40 0 GEABMO COc1ccccc1C[N@@H+]1Cc2cccn2C[C@H](CCNS(C)(=O)=O)C1 ZINC000585095568 570922329 /nfs/dbraw/zinc/92/23/29/570922329.db2.gz XTMDFQFKTYGYIW-MRXNPFEDSA-N 1 1 377.510 2.068 40 0 GEABMO Cc1cc(C)cc(C[NH+]2CC3(C2)OCC[C@H]3CCNS(=O)(=O)C2CC2)c1 ZINC000585103293 570931494 /nfs/dbraw/zinc/93/14/94/570931494.db2.gz UDIXOZHACJHZOQ-GOSISDBHSA-N 1 1 378.538 2.366 40 0 GEABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccs2)CC1 ZINC000585106016 570935795 /nfs/dbraw/zinc/93/57/95/570935795.db2.gz DYHWMTSPMUJZQT-XHSDSOJGSA-N 1 1 375.538 2.447 40 0 GEABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000585106320 570936331 /nfs/dbraw/zinc/93/63/31/570936331.db2.gz TUNXDKJMAGITCP-UXHICEINSA-N 1 1 398.551 2.205 40 0 GEABMO CC[NH+]1CCN(C2CCN(C(=O)c3ccc(C)c(-n4cccn4)c3)CC2)CC1 ZINC000019528137 210258452 /nfs/dbraw/zinc/25/84/52/210258452.db2.gz MFFPANXPCGGGLJ-UHFFFAOYSA-N 1 1 381.524 2.423 40 0 GEABMO CCn1nc(C)c(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)c1C ZINC000019523839 210256962 /nfs/dbraw/zinc/25/69/62/210256962.db2.gz BWZAUEAKFKBNDH-UHFFFAOYSA-N 1 1 378.480 2.266 40 0 GEABMO CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[NH+]2CCN(C(C)=O)CC2)C1 ZINC000019498698 210252492 /nfs/dbraw/zinc/25/24/92/210252492.db2.gz CJFQLFMAZJCSPK-KRWDZBQOSA-N 1 1 397.523 2.343 40 0 GEABMO O=C(C[N@@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1)N1CCCC1 ZINC000019336334 210241863 /nfs/dbraw/zinc/24/18/63/210241863.db2.gz BPHPSUYWHCIZCI-NJDAHSKKSA-N 1 1 399.510 2.474 40 0 GEABMO COCC[NH+]1CCN(c2ncc(-c3ccc(F)cc3)c(-c3nccn3C)n2)CC1 ZINC000019291594 210238347 /nfs/dbraw/zinc/23/83/47/210238347.db2.gz BLMOGGVETGWTAC-UHFFFAOYSA-N 1 1 396.470 2.452 40 0 GEABMO COc1ccc2[nH]cc(C(=O)CN3CCC(O)(Cn4cc[nH+]c4C)CC3)c2c1 ZINC000019287919 210237554 /nfs/dbraw/zinc/23/75/54/210237554.db2.gz VFWGDSCDPZOMMZ-UHFFFAOYSA-N 1 1 382.464 2.391 40 0 GEABMO CC[C@@H](C(=O)N1CC[NH+](CC)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716610 210082544 /nfs/dbraw/zinc/08/25/44/210082544.db2.gz POLYQRASUYNFFY-SFHVURJKSA-N 1 1 381.542 2.012 40 0 GEABMO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2C[N@H+](C3CCOCC3)CCN21 ZINC000253407465 209218897 /nfs/dbraw/zinc/21/88/97/209218897.db2.gz WLOSUGRJVLTJAG-KRWDZBQOSA-N 1 1 375.488 2.225 40 0 biogenic,in-vitro GEABMO CCn1cc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)cn1 ZINC000306144576 212055621 /nfs/dbraw/zinc/05/56/21/212055621.db2.gz ZJFXWVNMDCRKAR-IAGOWNOFSA-N 1 1 391.479 2.051 40 0 GEABMO Cc1nc(CN2C[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@H]3S2(=O)=O)cs1 ZINC000306144523 212055418 /nfs/dbraw/zinc/05/54/18/212055418.db2.gz ZHQNKKLLYMRHFZ-WMLDXEAASA-N 1 1 381.498 2.237 40 0 GEABMO Cc1nc(CN2C[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@H]3S2(=O)=O)cs1 ZINC000306144523 212055420 /nfs/dbraw/zinc/05/54/20/212055420.db2.gz ZHQNKKLLYMRHFZ-WMLDXEAASA-N 1 1 381.498 2.237 40 0 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/nfs/dbraw/zinc/10/36/71/211103671.db2.gz OXKMMLFXMGXMIC-KRWDZBQOSA-N 1 1 399.495 2.037 40 0 GEABMO Cc1ccc(S(=O)(=O)N2CCC[C@H](c3cc(C[NH+](C)C)n(C)n3)C2)cc1F ZINC000072370175 211102309 /nfs/dbraw/zinc/10/23/09/211102309.db2.gz VEBJBPHHFITFSX-HNNXBMFYSA-N 1 1 394.516 2.498 40 0 GEABMO C[N@H+]1CC[C@H](c2nn(CCNC(=O)Cc3cccc(F)c3)c3ncccc23)C1 ZINC000072391592 211109382 /nfs/dbraw/zinc/10/93/82/211109382.db2.gz SKOUJGPTWBCBDO-INIZCTEOSA-N 1 1 381.455 2.348 40 0 GEABMO Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCC[N@@H+](CC4CC4)C3)nc2n(C)c1=O ZINC000072374580 211106086 /nfs/dbraw/zinc/10/60/86/211106086.db2.gz VZQPBZKSGJJJTG-LBPRGKRZSA-N 1 1 396.413 2.240 40 0 GEABMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000072377296 211104768 /nfs/dbraw/zinc/10/47/68/211104768.db2.gz WXXQTRDYGNIICX-IBGZPJMESA-N 1 1 394.475 2.368 40 0 GEABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000072377296 211104771 /nfs/dbraw/zinc/10/47/71/211104771.db2.gz WXXQTRDYGNIICX-IBGZPJMESA-N 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CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000019017805 210222042 /nfs/dbraw/zinc/22/20/42/210222042.db2.gz FUBHHENYGJRIHK-OAQYLSRUSA-N 1 1 380.492 2.236 40 0 GEABMO O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015223785 210155098 /nfs/dbraw/zinc/15/50/98/210155098.db2.gz XVFDNPQFWIJIKA-LVBDUCALSA-N 1 1 387.439 2.113 40 0 GEABMO Cc1nc(CN2C[C@H]3C[N@H+](Cc4ccc(F)cc4)C[C@H]3S2(=O)=O)cs1 ZINC000306136237 212051868 /nfs/dbraw/zinc/05/18/68/212051868.db2.gz PNPLNKWGPVSAIZ-RHSMWYFYSA-N 1 1 381.498 2.237 40 0 GEABMO Cc1nc(CN2C[C@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@H]3S2(=O)=O)cs1 ZINC000306136237 212051869 /nfs/dbraw/zinc/05/18/69/212051869.db2.gz PNPLNKWGPVSAIZ-RHSMWYFYSA-N 1 1 381.498 2.237 40 0 GEABMO COCCN1CC[C@]2(C[N@@H+](Cc3cccnc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130770 212049058 /nfs/dbraw/zinc/04/90/58/212049058.db2.gz JOYBINWRWBOHDF-SIKLNZKXSA-N 1 1 397.523 2.324 40 0 GEABMO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@H+](Cc4cccs4)C[C@H]32)cc1 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biogenic,in-vitro GEABMO CC[NH+]1CCN(C(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 ZINC000113967549 570338397 /nfs/dbraw/zinc/33/83/97/570338397.db2.gz NTVVMDZOAWALBM-UHFFFAOYSA-N 1 1 381.542 2.014 40 0 GEABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000049817638 570339757 /nfs/dbraw/zinc/33/97/57/570339757.db2.gz ACLHURZOHSRIQP-XLAORIBOSA-N 1 1 393.830 2.341 40 0 GEABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000049817638 570339759 /nfs/dbraw/zinc/33/97/59/570339759.db2.gz ACLHURZOHSRIQP-XLAORIBOSA-N 1 1 393.830 2.341 40 0 GEABMO O=C(c1ccccc1)N1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381912 570352765 /nfs/dbraw/zinc/35/27/65/570352765.db2.gz UZFQOOPFOSGCRT-OAQYLSRUSA-N 1 1 377.488 2.098 40 0 biogenic,in-vitro GEABMO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(Cn3ccnc3)cn2)C1 ZINC000685939103 570397774 /nfs/dbraw/zinc/39/77/74/570397774.db2.gz IPGDYPVQUJZKFR-GBESFXJTSA-N 1 1 398.511 2.432 40 0 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VPJFFOQGKSJBAY-MHAMCUSPSA-N 1 1 377.487 2.201 40 0 GEABMO C[N@@H+]1[C@@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000245190593 532520344 /nfs/dbraw/zinc/52/03/44/532520344.db2.gz VPJFFOQGKSJBAY-MHAMCUSPSA-N 1 1 377.487 2.201 40 0 GEABMO Cc1nc(CN2C[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]3S2(=O)=O)cs1 ZINC000306144524 532776440 /nfs/dbraw/zinc/77/64/40/532776440.db2.gz ZHQNKKLLYMRHFZ-YOEHRIQHSA-N 1 1 381.498 2.237 40 0 GEABMO Cc1nc(CN2C[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]3S2(=O)=O)cs1 ZINC000306144524 532776445 /nfs/dbraw/zinc/77/64/45/532776445.db2.gz ZHQNKKLLYMRHFZ-YOEHRIQHSA-N 1 1 381.498 2.237 40 0 GEABMO Cc1nc(CN2C[C@@]3(CC[N@@H+](C)C3)Oc3ccccc3S2(=O)=O)cs1 ZINC000306132227 532776605 /nfs/dbraw/zinc/77/66/05/532776605.db2.gz LCFIWJZZTLPHES-KRWDZBQOSA-N 1 1 379.507 2.109 40 0 GEABMO Cc1nc(CN2C[C@@]3(CC[N@H+](C)C3)Oc3ccccc3S2(=O)=O)cs1 ZINC000306132227 532776608 /nfs/dbraw/zinc/77/66/08/532776608.db2.gz LCFIWJZZTLPHES-KRWDZBQOSA-N 1 1 379.507 2.109 40 0 GEABMO COc1ccc2[nH]cc([C@H](O)C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000002121617 212145158 /nfs/dbraw/zinc/14/51/58/212145158.db2.gz ZZDWHMVMVVCQRA-LRAJWGHMSA-N 1 1 379.460 2.491 40 0 GEABMO C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)C3CCCCC3)CCN21 ZINC000253409154 212136221 /nfs/dbraw/zinc/13/62/21/212136221.db2.gz ZOUROXXITOTHRM-GGAORHGYSA-N 1 1 385.552 2.346 40 0 biogenic,in-vitro GEABMO CC(C)c1nc(NC2CC2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]1 ZINC000329008563 212093510 /nfs/dbraw/zinc/09/35/10/212093510.db2.gz LTDHMEKEZHLSEF-UHFFFAOYSA-N 1 1 387.509 2.384 40 0 GEABMO CCC(=O)N1CCc2cc([C@@H](O)C[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000012181121 221163047 /nfs/dbraw/zinc/16/30/47/221163047.db2.gz LQMLZSOJBYALRD-FQEVSTJZSA-N 1 1 380.492 2.236 40 0 GEABMO O=C(NC[C@@H](c1ccccc1F)[NH+]1CCCC1)c1cnc(N2CCOCC2)nc1 ZINC000012200951 221166684 /nfs/dbraw/zinc/16/66/84/221166684.db2.gz UGBVDUVNQRFTMU-IBGZPJMESA-N 1 1 399.470 2.019 40 0 GEABMO CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019022330 221395603 /nfs/dbraw/zinc/39/56/03/221395603.db2.gz PVTKGEXDASYZSI-KRWDZBQOSA-N 1 1 393.491 2.443 40 0 GEABMO CCn1cc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)c(C)n1 ZINC000019524592 221421412 /nfs/dbraw/zinc/42/14/12/221421412.db2.gz WBTOGIRVAREBDU-OAQYLSRUSA-N 1 1 394.523 2.349 40 0 GEABMO CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C[C@@]32Nc3ccccc3C(=O)N2)CC1 ZINC000019527797 221423364 /nfs/dbraw/zinc/42/33/64/221423364.db2.gz CFMVXUHGUYJDDG-MUUPZMKNSA-N 1 1 382.508 2.139 40 0 GEABMO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@H+](Cc1ccc3nccnc3c1)C2 ZINC000072389555 136169154 /nfs/dbraw/zinc/16/91/54/136169154.db2.gz ITVZQLVRAHAVRZ-UHFFFAOYSA-N 1 1 376.464 2.262 40 0 GEABMO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@@H+](Cc1ccc3nccnc3c1)C2 ZINC000072389555 136169155 /nfs/dbraw/zinc/16/91/55/136169155.db2.gz ITVZQLVRAHAVRZ-UHFFFAOYSA-N 1 1 376.464 2.262 40 0 GEABMO COc1ccc(C[N@@H+]2CCOC[C@@]3(CN(c4ccccc4)C(=O)CO3)C2)cc1 ZINC000096051275 136183528 /nfs/dbraw/zinc/18/35/28/136183528.db2.gz TYURCEVLUVOHSP-QFIPXVFZSA-N 1 1 382.460 2.330 40 0 GEABMO COc1ccc(C[N@H+]2CCOC[C@@]3(CN(c4ccccc4)C(=O)CO3)C2)cc1 ZINC000096051275 136183529 /nfs/dbraw/zinc/18/35/29/136183529.db2.gz TYURCEVLUVOHSP-QFIPXVFZSA-N 1 1 382.460 2.330 40 0 GEABMO COc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113969901 136192142 /nfs/dbraw/zinc/19/21/42/136192142.db2.gz SNLQQLXZNQIWHM-UHFFFAOYSA-N 1 1 379.457 2.387 40 0 GEABMO C[N@H+](Cc1cc(CC2(NCc3ccc(CO)o3)COC2)no1)Cc1ccccc1 ZINC000067898118 222166798 /nfs/dbraw/zinc/16/67/98/222166798.db2.gz QGPKPEFBVJBYSS-UHFFFAOYSA-N 1 1 397.475 2.493 40 0 biogenic,in-vitro GEABMO C[N@@H+](Cc1cc(CC2(NCc3ccc(CO)o3)COC2)no1)Cc1ccccc1 ZINC000067898118 222166802 /nfs/dbraw/zinc/16/68/02/222166802.db2.gz QGPKPEFBVJBYSS-UHFFFAOYSA-N 1 1 397.475 2.493 40 0 biogenic,in-vitro GEABMO O=C(C[NH+]1CCC2(CC1)Nc1ccccc1-n1cccc12)NC[C@H]1CCCO1 ZINC000072341612 222232024 /nfs/dbraw/zinc/23/20/24/222232024.db2.gz NSXPQGMEDHNBGB-QGZVFWFLSA-N 1 1 380.492 2.489 40 0 GEABMO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)c1 ZINC000072358558 222238964 /nfs/dbraw/zinc/23/89/64/222238964.db2.gz IEMFMPQBOAMBJY-SFHVURJKSA-N 1 1 393.491 2.044 40 0 GEABMO O=C(C[N@@H+]1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1)N1CCOCC1 ZINC000072358525 222239793 /nfs/dbraw/zinc/23/97/93/222239793.db2.gz GORNCEVSIMNSJE-QGZVFWFLSA-N 1 1 384.455 2.321 40 0 GEABMO CC(=O)N1CCn2c(nnc2[C@@H]2CCC[N@H+]2Cc2cn(C)c3ccccc23)C1 ZINC000072372844 222242293 /nfs/dbraw/zinc/24/22/93/222242293.db2.gz FTFBMNJUGAVCHO-IBGZPJMESA-N 1 1 378.480 2.469 40 0 GEABMO CC(=O)N1CCn2c(nnc2[C@@H]2CCC[N@@H+]2Cc2cn(C)c3ccccc23)C1 ZINC000072372844 222242296 /nfs/dbraw/zinc/24/22/96/222242296.db2.gz FTFBMNJUGAVCHO-IBGZPJMESA-N 1 1 378.480 2.469 40 0 GEABMO Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCC[N@@H+](CC4CC4)C3)nc2n(C)c1=O ZINC000072374579 222243539 /nfs/dbraw/zinc/24/35/39/222243539.db2.gz VZQPBZKSGJJJTG-GFCCVEGCSA-N 1 1 396.413 2.240 40 0 GEABMO COc1ccc(C[N@@H+]2CCc3nc(N4CCCCCC4)[nH]c(=O)c3C2)cc1O ZINC000072389584 222247318 /nfs/dbraw/zinc/24/73/18/222247318.db2.gz ATYMBHVLGBFEFS-UHFFFAOYSA-N 1 1 384.480 2.423 40 0 GEABMO COc1ccc(C[N@H+]2CCc3nc(N4CCCCCC4)[nH]c(=O)c3C2)cc1O ZINC000072389584 222247320 /nfs/dbraw/zinc/24/73/20/222247320.db2.gz ATYMBHVLGBFEFS-UHFFFAOYSA-N 1 1 384.480 2.423 40 0 GEABMO CCCc1cc(C(=O)NCCn2nc([C@@H]3CC[N@@H+](C)C3)c3cccnc32)no1 ZINC000072391594 222248288 /nfs/dbraw/zinc/24/82/88/222248288.db2.gz ZNMDLAURTFRPRN-CQSZACIVSA-N 1 1 382.468 2.221 40 0 GEABMO C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccccn1)CC3 ZINC000096036310 222372250 /nfs/dbraw/zinc/37/22/50/222372250.db2.gz AQTSANKNLZDTGC-WMZHIEFXSA-N 1 1 396.535 2.268 40 0 GEABMO O=C1NCC[C@]12C[N@H+](Cc1cccnc1)CC21CCN(Cc2ccoc2)CC1 ZINC000096036341 222373145 /nfs/dbraw/zinc/37/31/45/222373145.db2.gz FKUJLIIEHBXJCG-QFIPXVFZSA-N 1 1 380.492 2.279 40 0 GEABMO O=C1NCC[C@]12C[N@@H+](Cc1cccnc1)CC21CCN(Cc2ccoc2)CC1 ZINC000096036341 222373147 /nfs/dbraw/zinc/37/31/47/222373147.db2.gz FKUJLIIEHBXJCG-QFIPXVFZSA-N 1 1 380.492 2.279 40 0 GEABMO COc1ccc2[nH]c(CO[C@H]3C[N@@H+](C4CCN(C(C)=O)CC4)C[C@H]3F)nc2c1 ZINC000096112260 222381176 /nfs/dbraw/zinc/38/11/76/222381176.db2.gz TUVPYMCJCVCFHQ-APWZRJJASA-N 1 1 390.459 2.121 40 0 biogenic,in-vitro GEABMO COc1ccc2[nH]c(CO[C@H]3C[N@H+](C4CCN(C(C)=O)CC4)C[C@H]3F)nc2c1 ZINC000096112260 222381181 /nfs/dbraw/zinc/38/11/81/222381181.db2.gz TUVPYMCJCVCFHQ-APWZRJJASA-N 1 1 390.459 2.121 40 0 biogenic,in-vitro GEABMO Cc1cc(C(=O)N2CC[C@H]3[N@@H+](C)CC[C@@]3(C(=O)Nc3ccccc3)CC2)[nH]n1 ZINC000096145279 222389059 /nfs/dbraw/zinc/38/90/59/222389059.db2.gz ADJPQAKVAFKIGC-WIYYLYMNSA-N 1 1 381.480 2.283 40 0 GEABMO Cc1cc(C(=O)N2CC[C@H]3[N@H+](C)CC[C@@]3(C(=O)Nc3ccccc3)CC2)n[nH]1 ZINC000096145279 222389060 /nfs/dbraw/zinc/38/90/60/222389060.db2.gz ADJPQAKVAFKIGC-WIYYLYMNSA-N 1 1 381.480 2.283 40 0 GEABMO Cc1cc(C(=O)N2CC[C@H]3[N@@H+](C)CC[C@@]3(C(=O)Nc3ccccc3)CC2)n[nH]1 ZINC000096145279 222389063 /nfs/dbraw/zinc/38/90/63/222389063.db2.gz ADJPQAKVAFKIGC-WIYYLYMNSA-N 1 1 381.480 2.283 40 0 GEABMO C[N@@H+](Cc1cccnc1)[C@H]1COC2(C1)CCN(C(=O)NCc1cccnc1)CC2 ZINC000096220874 222398050 /nfs/dbraw/zinc/39/80/50/222398050.db2.gz BFUXETVADCRVHZ-HXUWFJFHSA-N 1 1 395.507 2.442 40 0 GEABMO CC(C)C[N@H+]1CCN2[C@H](CN(C(=O)c3ccc(Cl)cc3)C[C@@]2(C)CO)C1 ZINC000514290238 560030060 /nfs/dbraw/zinc/03/00/60/560030060.db2.gz VKHXFPWMGAFDKH-ICSRJNTNSA-N 1 1 379.932 2.189 40 0 biogenic,in-vitro GEABMO O[C@@H]1C[C@@H]2C[N@@H+](CCc3ccccc3)CC3(CN(Cc4ccccc4F)C3)N2C1 ZINC000514289862 560031140 /nfs/dbraw/zinc/03/11/40/560031140.db2.gz PJYCKZNTIHZKSB-FGZHOGPDSA-N 1 1 395.522 2.374 40 0 biogenic,in-vitro GEABMO COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CCN(C(=O)C3CCC3)CC2)cs1 ZINC000225467464 560043432 /nfs/dbraw/zinc/04/34/32/560043432.db2.gz CNOJLLHYQCHAOB-MRXNPFEDSA-N 1 1 393.553 2.364 40 0 biogenic,in-vitro GEABMO COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CCN(C(=O)C3CCC3)CC2)cs1 ZINC000225467464 560043433 /nfs/dbraw/zinc/04/34/33/560043433.db2.gz CNOJLLHYQCHAOB-MRXNPFEDSA-N 1 1 393.553 2.364 40 0 biogenic,in-vitro GEABMO Cn1c(C(=O)N2CCn3c(nnc3[C@@H]3CCC[N@@H+]3C)C2)cc2cc(F)ccc21 ZINC000019752697 570215996 /nfs/dbraw/zinc/21/59/96/570215996.db2.gz XUAVQTXOFFMCKK-INIZCTEOSA-N 1 1 382.443 2.332 40 0 GEABMO Cn1c(C(=O)N2CCn3c(nnc3[C@@H]3CCC[N@H+]3C)C2)cc2cc(F)ccc21 ZINC000019752697 570215998 /nfs/dbraw/zinc/21/59/98/570215998.db2.gz XUAVQTXOFFMCKK-INIZCTEOSA-N 1 1 382.443 2.332 40 0 GEABMO Cc1noc(C)c1C[N@H+]1CCc2cc(C(=O)NC(C)C)c(N(C)C)nc2CC1 ZINC000096260333 570225441 /nfs/dbraw/zinc/22/54/41/570225441.db2.gz FLQDMWOPZRYBHN-UHFFFAOYSA-N 1 1 385.512 2.491 40 0 GEABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCC3CC3)cn21 ZINC000096268079 570227535 /nfs/dbraw/zinc/22/75/35/570227535.db2.gz KRNPGZWSYHJDSK-LJQANCHMSA-N 1 1 396.539 2.346 40 0 GEABMO COCC(=O)N1CC[N@H+](C2CCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284260 570253241 /nfs/dbraw/zinc/25/32/41/570253241.db2.gz 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571034786 /nfs/dbraw/zinc/03/47/86/571034786.db2.gz LYTRBYYCSYXURF-KRWDZBQOSA-N 1 1 396.470 2.374 40 0 GEABMO C[N@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cccc4cccnc42)C3)C1 ZINC000019711094 571035199 /nfs/dbraw/zinc/03/51/99/571035199.db2.gz AOHYZIATKDPMKC-MRXNPFEDSA-N 1 1 376.464 2.292 40 0 GEABMO C[NH+]1CCN(C(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)CC1 ZINC000409181410 530068340 /nfs/dbraw/zinc/06/83/40/530068340.db2.gz CDSWXGADKTUUQC-UHFFFAOYSA-N 1 1 390.823 2.343 40 0 GEABMO O=S(=O)(NC[C@H]1CO[C@@H]2C[N@@H+](Cc3cccs3)C[C@H]12)c1ccccc1 ZINC000306124062 532776786 /nfs/dbraw/zinc/77/67/86/532776786.db2.gz BEOUVKOSHMZLNJ-BMGDILEWSA-N 1 1 378.519 2.173 40 0 GEABMO CCCCOC(=O)c1ccc(NC(=O)C[C@H]2[NH2+][C@H]3CCCC[C@@H]3NC2=O)cc1 ZINC000008215816 221031434 /nfs/dbraw/zinc/03/14/34/221031434.db2.gz KACGZIBEUJYNHK-OKZBNKHCSA-N 1 1 387.480 2.371 40 0 GEABMO CCC(=O)N1CCC[C@@H](c2nc(N3CC[NH+](C)CC3)ncc2-c2cc(C)no2)C1 ZINC000012120634 221154925 /nfs/dbraw/zinc/15/49/25/221154925.db2.gz VQWSRDCZLYYEBY-MRXNPFEDSA-N 1 1 398.511 2.308 40 0 GEABMO O=C(C[NH+]1CCC(c2nc(-c3ccncc3)n[nH]2)CC1)NCc1cccs1 ZINC000012144634 221159270 /nfs/dbraw/zinc/15/92/70/221159270.db2.gz VURBPUQPNSABIV-UHFFFAOYSA-N 1 1 382.493 2.424 40 0 GEABMO C[NH+]1CCN(c2nc(N3CCCC3)nc3c2CN(Cc2ccccc2)CC3)CC1 ZINC000012326546 221183173 /nfs/dbraw/zinc/18/31/73/221183173.db2.gz ZNTZQLJYPGUTDK-UHFFFAOYSA-N 1 1 392.551 2.387 40 0 GEABMO O=C1CCc2cc(S(=O)(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2N1 ZINC000012362136 221185321 /nfs/dbraw/zinc/18/53/21/221185321.db2.gz SBHNJAPGPGTJFX-QGZVFWFLSA-N 1 1 385.489 2.124 40 0 GEABMO O=C1CCc2cc(S(=O)(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2N1 ZINC000012362136 221185323 /nfs/dbraw/zinc/18/53/23/221185323.db2.gz SBHNJAPGPGTJFX-QGZVFWFLSA-N 1 1 385.489 2.124 40 0 GEABMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 ZINC000012221645 221169178 /nfs/dbraw/zinc/16/91/78/221169178.db2.gz SGISMIOGANDKPK-LAUBAEHRSA-N 1 1 382.464 2.213 40 0 GEABMO COCc1ccc(C[NH+]2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)o1 ZINC000012222545 221169455 /nfs/dbraw/zinc/16/94/55/221169455.db2.gz ZLOJDBRHXYJLGU-LJQANCHMSA-N 1 1 391.493 2.368 40 0 GEABMO O=C(NCc1ccccc1)C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000013636601 221277879 /nfs/dbraw/zinc/27/78/79/221277879.db2.gz PARKGMOGHLHVOG-FQEVSTJZSA-N 1 1 391.471 2.347 40 0 GEABMO C[C@@H](NC(=O)C(F)F)C(=O)N1Cc2ccccc2O[C@@]2(CCC[N@@H+](C)CC2)C1 ZINC000019079579 221395979 /nfs/dbraw/zinc/39/59/79/221395979.db2.gz UIEVNTTXENTBAS-JLTOFOAXSA-N 1 1 395.450 2.032 40 0 GEABMO COc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC(C)C)C[C@@H]23)c1 ZINC000503758090 533397451 /nfs/dbraw/zinc/39/74/51/533397451.db2.gz ZCKWFIRYFPUJBX-MOPGFXCFSA-N 1 1 385.508 2.004 40 0 GEABMO COCC[NH+]1CCN(c2ncc(-c3cnccn3)c(-c3ccc(C)o3)n2)CC1 ZINC000072340319 136168642 /nfs/dbraw/zinc/16/86/42/136168642.db2.gz ZIYWFQORWPQXSB-UHFFFAOYSA-N 1 1 380.452 2.270 40 0 GEABMO Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CC[N@@H+](Cc2ccccc2)C1 ZINC000096244561 136185823 /nfs/dbraw/zinc/18/58/23/136185823.db2.gz ZOTWJXJJHGPZLZ-QFIPXVFZSA-N 1 1 380.492 2.296 40 0 GEABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000224563299 136207113 /nfs/dbraw/zinc/20/71/13/136207113.db2.gz RTJMNNWRIOBLLH-UHFFFAOYSA-N 1 1 395.503 2.285 40 0 GEABMO COC(=O)C1=C(C[NH+]2C[C@@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057731154 222036623 /nfs/dbraw/zinc/03/66/23/222036623.db2.gz UBQYGTTXFMGIJO-NJSLBKSFSA-N 1 1 387.480 2.454 40 0 GEABMO O=S(=O)(N1CCCC1)N1CC[N@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355139 222239223 /nfs/dbraw/zinc/23/92/23/222239223.db2.gz BORXJTPJIGKXMR-SFHVURJKSA-N 1 1 392.569 2.141 40 0 GEABMO Cc1cccc(CS(=O)(=O)N2CCCC[C@H]2c2nnc3n2CC[N@H+](C)C3)c1 ZINC000072374005 222243201 /nfs/dbraw/zinc/24/32/01/222243201.db2.gz NRJGFZVNFHOFEP-KRWDZBQOSA-N 1 1 389.525 2.089 40 0 GEABMO CCOc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]32)c(OCC)n1 ZINC000072392647 222248203 /nfs/dbraw/zinc/24/82/03/222248203.db2.gz COINZKNYKNQMPD-RRMPHLOHSA-N 1 1 384.480 2.399 40 0 GEABMO C[N@@H+]1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CCc1ccccc1)CC2 ZINC000072391711 222248590 /nfs/dbraw/zinc/24/85/90/222248590.db2.gz RLJXJXGTGZBCBR-LJQANCHMSA-N 1 1 380.492 2.444 40 0 GEABMO C[N@H+]1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CCc1ccccc1)CC2 ZINC000072391711 222248592 /nfs/dbraw/zinc/24/85/92/222248592.db2.gz RLJXJXGTGZBCBR-LJQANCHMSA-N 1 1 380.492 2.444 40 0 GEABMO C[N@H+]1CC[C@@H](c2nn(CCNC(=O)COc3ccccc3)c3ncccc23)C1 ZINC000072391583 222249464 /nfs/dbraw/zinc/24/94/64/222249464.db2.gz FXYONFUVLKEDJW-MRXNPFEDSA-N 1 1 379.464 2.046 40 0 GEABMO CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2 ZINC000096056098 222377312 /nfs/dbraw/zinc/37/73/12/222377312.db2.gz YACHTMFKRWCHTN-JXFKEZNVSA-N 1 1 385.537 2.345 40 0 GEABMO CC(C)C[N@H+]1CC2(CCN(C(=O)Cc3cccs3)CC2)[C@]2(CCNC2=O)C1 ZINC000096144153 222388656 /nfs/dbraw/zinc/38/86/56/222388656.db2.gz CZBZEMIUEJXCHL-OAQYLSRUSA-N 1 1 389.565 2.377 40 0 GEABMO O[C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3)CC3(CN(Cc4ccccc4F)C3)N2C1 ZINC000514288444 560035030 /nfs/dbraw/zinc/03/50/30/560035030.db2.gz ACZQANYCKWENJO-LEWJYISDSA-N 1 1 381.495 2.331 40 0 biogenic,in-vitro GEABMO O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccc4F)C3)[N@@H+]2C1 ZINC000514288444 560035031 /nfs/dbraw/zinc/03/50/31/560035031.db2.gz ACZQANYCKWENJO-LEWJYISDSA-N 1 1 381.495 2.331 40 0 biogenic,in-vitro GEABMO O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccc4F)C3)[N@H+]2C1 ZINC000514288444 560035032 /nfs/dbraw/zinc/03/50/32/560035032.db2.gz ACZQANYCKWENJO-LEWJYISDSA-N 1 1 381.495 2.331 40 0 biogenic,in-vitro GEABMO CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)CC1 ZINC000035426216 560080752 /nfs/dbraw/zinc/08/07/52/560080752.db2.gz GRTFLUNPUUCROP-KRWDZBQOSA-N 1 1 384.484 2.345 40 0 biogenic,in-vitro GEABMO CCc1nc(C)c(C(=O)N2CCC([C@H]3CCCC[N@H+]3CC(=O)N(C)C)CC2)o1 ZINC000019746326 570213709 /nfs/dbraw/zinc/21/37/09/570213709.db2.gz OCZVIPPQKORHKW-QGZVFWFLSA-N 1 1 390.528 2.340 40 0 GEABMO Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)NCC(C)C)cc1 ZINC000096250958 570224291 /nfs/dbraw/zinc/22/42/91/570224291.db2.gz NTFBIAIYHAUOSH-IPMKNSEASA-N 1 1 378.538 2.002 40 0 GEABMO Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)NCC(C)C)cc1 ZINC000096250958 570224293 /nfs/dbraw/zinc/22/42/93/570224293.db2.gz NTFBIAIYHAUOSH-IPMKNSEASA-N 1 1 378.538 2.002 40 0 GEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000020041372 570237017 /nfs/dbraw/zinc/23/70/17/570237017.db2.gz MXFGBICFQXEMIV-UHFFFAOYSA-N 1 1 384.461 2.482 40 0 GEABMO COCC(=O)N1CC[N@H+](C2CCCCC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585282694 570250879 /nfs/dbraw/zinc/25/08/79/570250879.db2.gz MXEZXGKQEUSQOS-OAQYLSRUSA-N 1 1 394.487 2.059 40 0 GEABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)CC1 ZINC000585285469 570254847 /nfs/dbraw/zinc/25/48/47/570254847.db2.gz YPWVXUYZBZDUGU-JLEJFLCFSA-N 1 1 394.556 2.044 40 0 GEABMO Cc1c(F)cccc1C[N@H+]1C[C@H](C(=O)NCC2CCOCC2)[C@H]2OCC[C@H]21 ZINC000108527767 570313082 /nfs/dbraw/zinc/31/30/82/570313082.db2.gz JRNPOWCKAZSIOM-DFQSSKMNSA-N 1 1 376.472 2.266 40 0 GEABMO CCS(=O)(=O)C1=C[C@]23CC[N@H+](C)[C@H](Cc4ccc(OC)c(O)c42)[C@@H]3C=C1 ZINC000004972566 570420425 /nfs/dbraw/zinc/42/04/25/570420425.db2.gz RMGRPTUJOJWRMK-YRNRMSPPSA-N 1 1 375.490 2.403 40 0 GEABMO CCS(=O)(=O)C1=C[C@]23CC[N@@H+](C)[C@H](Cc4ccc(OC)c(O)c42)[C@@H]3C=C1 ZINC000004972566 570420427 /nfs/dbraw/zinc/42/04/27/570420427.db2.gz RMGRPTUJOJWRMK-YRNRMSPPSA-N 1 1 375.490 2.403 40 0 GEABMO O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000033920333 570424800 /nfs/dbraw/zinc/42/48/00/570424800.db2.gz XIRZRIMQXCVAIQ-OZQHCQBDSA-N 1 1 391.402 2.257 40 0 GEABMO CCc1nn(CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(=O)c2cc3occc3n21 ZINC000005149437 570430370 /nfs/dbraw/zinc/43/03/70/570430370.db2.gz ZGDNNNVHZKUUSE-HNNXBMFYSA-N 1 1 399.495 2.185 40 0 GEABMO O=C(C[N@H+]1CCC[C@](O)(COc2ccccc2)C1)NCCOc1ccccc1 ZINC000257244414 570487964 /nfs/dbraw/zinc/48/79/64/570487964.db2.gz ILEYLYLEGNLAQQ-JOCHJYFZSA-N 1 1 384.476 2.088 40 0 GEABMO O=C(C[N@@H+]1CCC[C@](O)(COc2ccccc2)C1)NCCOc1ccccc1 ZINC000257244414 570487969 /nfs/dbraw/zinc/48/79/69/570487969.db2.gz ILEYLYLEGNLAQQ-JOCHJYFZSA-N 1 1 384.476 2.088 40 0 GEABMO O=C(C[N@H+]1CCC[C@@](O)(COc2ccccc2)C1)NCCOc1ccccc1 ZINC000257244415 570488172 /nfs/dbraw/zinc/48/81/72/570488172.db2.gz ILEYLYLEGNLAQQ-QFIPXVFZSA-N 1 1 384.476 2.088 40 0 GEABMO O=C(C[N@@H+]1CCC[C@@](O)(COc2ccccc2)C1)NCCOc1ccccc1 ZINC000257244415 570488174 /nfs/dbraw/zinc/48/81/74/570488174.db2.gz ILEYLYLEGNLAQQ-QFIPXVFZSA-N 1 1 384.476 2.088 40 0 GEABMO Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000225185463 570554471 /nfs/dbraw/zinc/55/44/71/570554471.db2.gz HZUNOUKISGFLJH-SILNSSARSA-N 1 1 397.475 2.197 40 0 GEABMO O=S(=O)(Cc1ccc(F)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047266547 570653642 /nfs/dbraw/zinc/65/36/42/570653642.db2.gz GOVPFBQRZVNMOK-UHFFFAOYSA-N 1 1 378.469 2.278 40 0 GEABMO COCC[N@@H+](C)C[C@@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc3[nH]cnc3c1)C2 ZINC000247954833 570717724 /nfs/dbraw/zinc/71/77/24/570717724.db2.gz CRVLWQCRQSUTKG-IERDGZPVSA-N 1 1 386.496 2.152 40 0 GEABMO Cn1cc(CN2CCO[C@@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)cn1 ZINC000257202859 570760166 /nfs/dbraw/zinc/76/01/66/570760166.db2.gz ANRYOVTWVIRGSL-HXUWFJFHSA-N 1 1 385.443 2.477 40 0 GEABMO O=C1C[C@@H]([N@H+]2CCCC[C@@H]2CCO)C(=O)N1c1cccc(OC(F)(F)F)c1 ZINC000008570038 570771362 /nfs/dbraw/zinc/77/13/62/570771362.db2.gz JWHMDIOMYGCIDM-IUODEOHRSA-N 1 1 386.370 2.454 40 0 GEABMO O=C1C[C@@H]([N@@H+]2CCCC[C@@H]2CCO)C(=O)N1c1cccc(OC(F)(F)F)c1 ZINC000008570038 570771365 /nfs/dbraw/zinc/77/13/65/570771365.db2.gz JWHMDIOMYGCIDM-IUODEOHRSA-N 1 1 386.370 2.454 40 0 GEABMO NCC1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218215495 570816972 /nfs/dbraw/zinc/81/69/72/570816972.db2.gz BEPBZYPFWLQYCH-CVEARBPZSA-N 1 1 395.322 2.293 40 0 GEABMO CCOC(=O)N1CC[NH+](C[C@@H](O)COCCOc2ccc(C(C)C)cc2)CC1 ZINC000040373318 570872532 /nfs/dbraw/zinc/87/25/32/570872532.db2.gz GXGOZKMUFVGXSU-LJQANCHMSA-N 1 1 394.512 2.340 40 0 GEABMO C[NH+]1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000019589875 570927765 /nfs/dbraw/zinc/92/77/65/570927765.db2.gz SDPKVOIPEIIMSN-IBGZPJMESA-N 1 1 384.434 2.336 40 0 GEABMO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585104023 570929714 /nfs/dbraw/zinc/92/97/14/570929714.db2.gz KREWQSVFODBLGO-MSOLQXFVSA-N 1 1 388.508 2.169 40 0 GEABMO Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](C[NH+]4CCOCC4)C3)CC2)s1 ZINC000585104112 570929937 /nfs/dbraw/zinc/92/99/37/570929937.db2.gz LQBUDBIBADVFEU-MRXNPFEDSA-N 1 1 379.526 2.103 40 0 GEABMO Cc1nc(C(=O)N2CCC3(CO[C@H](C[N@H+](C)Cc4cccnc4)C3)CC2)c[nH]1 ZINC000585104488 570933013 /nfs/dbraw/zinc/93/30/13/570933013.db2.gz PDQRRZGBTDXCPM-SFHVURJKSA-N 1 1 383.496 2.256 40 0 GEABMO Cc1ncc(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)[nH]1 ZINC000585104488 570933022 /nfs/dbraw/zinc/93/30/22/570933022.db2.gz PDQRRZGBTDXCPM-SFHVURJKSA-N 1 1 383.496 2.256 40 0 GEABMO Cc1ncc(C(=O)N2CCC3(CO[C@H](C[N@H+](C)Cc4cccnc4)C3)CC2)[nH]1 ZINC000585104488 570933024 /nfs/dbraw/zinc/93/30/24/570933024.db2.gz PDQRRZGBTDXCPM-SFHVURJKSA-N 1 1 383.496 2.256 40 0 GEABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2c(C)noc2C)CC1 ZINC000585106240 570936317 /nfs/dbraw/zinc/93/63/17/570936317.db2.gz HEKLHNOUMJPECV-XYPHTWIQSA-N 1 1 388.512 2.133 40 0 GEABMO CC(C)[N@H+]1[C@H](CN2CCCC2)C[C@@H]2CN(C(=O)CCc3cncnc3)CC[C@@H]21 ZINC000585108420 570940196 /nfs/dbraw/zinc/94/01/96/570940196.db2.gz HASSSUDEKBBWPI-HKBOAZHASA-N 1 1 385.556 2.205 40 0 GEABMO CC(C)N1[C@H](C[NH+]2CCCC2)C[C@@H]2CN(C(=O)CCc3cncnc3)CC[C@@H]21 ZINC000585108420 570940200 /nfs/dbraw/zinc/94/02/00/570940200.db2.gz HASSSUDEKBBWPI-HKBOAZHASA-N 1 1 385.556 2.205 40 0 GEABMO COc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4cnn(C)c4)C2)OC3)c1 ZINC000306139952 570944318 /nfs/dbraw/zinc/94/43/18/570944318.db2.gz UFDDWFHAPZPWDL-OAQYLSRUSA-N 1 1 379.464 2.467 40 0 GEABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000019287841 570970416 /nfs/dbraw/zinc/97/04/16/570970416.db2.gz PFTUSYDNOYMFSB-KRWDZBQOSA-N 1 1 375.856 2.202 40 0 GEABMO Cn1ccc(C(=O)NC2CC[NH+](Cc3cc(-c4ccccc4F)nn3C)CC2)n1 ZINC000019290996 570971953 /nfs/dbraw/zinc/97/19/53/570971953.db2.gz KOPAYQZDNXWZGS-UHFFFAOYSA-N 1 1 396.470 2.354 40 0 GEABMO CCC(=O)N1CCC[C@H](c2nc(N3CC[NH+](C)CC3)ncc2-c2cccnc2)C1 ZINC000019498704 570991177 /nfs/dbraw/zinc/99/11/77/570991177.db2.gz NQQQPJNSMJSILY-SFHVURJKSA-N 1 1 394.523 2.406 40 0 GEABMO CCC(=O)N1CCC[C@@H](c2nc(N3CC[NH+](C)CC3)ncc2-c2cccnc2)C1 ZINC000019498703 570991186 /nfs/dbraw/zinc/99/11/86/570991186.db2.gz NQQQPJNSMJSILY-GOSISDBHSA-N 1 1 394.523 2.406 40 0 GEABMO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)[nH]c(=O)c2C1 ZINC000019501596 570992856 /nfs/dbraw/zinc/99/28/56/570992856.db2.gz HLZJFZGFGOBLDF-QGZVFWFLSA-N 1 1 395.507 2.229 40 0 GEABMO CCSc1ncc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2Cc2ccccc2)cn1 ZINC000019520535 570994211 /nfs/dbraw/zinc/99/42/11/570994211.db2.gz POVKKOVNMONPBD-HSALFYBXSA-N 1 1 384.549 2.451 40 0 GEABMO CC[NH+]1CCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2C[C@@]32Nc3ccccc3C(=O)N2)CC1 ZINC000019527798 570998060 /nfs/dbraw/zinc/99/80/60/570998060.db2.gz CFMVXUHGUYJDDG-LVOOAJGHSA-N 1 1 382.508 2.139 40 0 GEABMO COc1ccc(CC(=O)N2CCc3nc([C@H]4CCC[N@@H+](C)C4)ncc3C2)cc1 ZINC000019588600 571016570 /nfs/dbraw/zinc/01/65/70/571016570.db2.gz IPRAHHLQHICPBC-KRWDZBQOSA-N 1 1 380.492 2.422 40 0 GEABMO COc1ccccc1CC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)C1 ZINC000019590260 571017100 /nfs/dbraw/zinc/01/71/00/571017100.db2.gz JKPUAAAUSHZSLB-INIZCTEOSA-N 1 1 396.491 2.127 40 0 GEABMO C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cn3cnc4ccccc43)ncc2C1 ZINC000019590525 571017876 /nfs/dbraw/zinc/01/78/76/571017876.db2.gz 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CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccccc2)nc2c1CC[N@@H+](C)C2 ZINC000019708626 571033081 /nfs/dbraw/zinc/03/30/81/571033081.db2.gz VIYPHDZFFCYFAG-QGZVFWFLSA-N 1 1 387.509 2.032 40 0 GEABMO CC[C@H]1C(=O)NCCN1C(=O)Cn1c(C[NH+]2CCCCCC2)nc2ccccc21 ZINC000019714624 571036383 /nfs/dbraw/zinc/03/63/83/571036383.db2.gz AWLWEQWNTGRWAU-SFHVURJKSA-N 1 1 397.523 2.149 40 0 GEABMO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@H]1CC[N@@H+](CC3CCCC3)C[C@H]21 ZINC000306126082 222795431 /nfs/dbraw/zinc/79/54/31/222795431.db2.gz DLUNISKUZOQRQY-MOPGFXCFSA-N 1 1 380.492 2.063 40 0 GEABMO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2C[N@H+](C3CCOCC3)CCN21 ZINC000253408373 212135922 /nfs/dbraw/zinc/13/59/22/212135922.db2.gz XRASHDVAIPBSMH-FQEVSTJZSA-N 1 1 386.540 2.156 40 0 biogenic,in-vitro GEABMO CC[NH+]1CCN(C(=O)c2nnc3sc(-c4cccc(Cl)c4)nn32)CC1 ZINC000057354679 212133369 /nfs/dbraw/zinc/13/33/69/212133369.db2.gz FTKRMJVFUXCTBA-UHFFFAOYSA-N 1 1 376.873 2.284 40 0 GEABMO CC(C)NC(=O)C[NH+]1CCC2(CC1)Nc1cc(Cl)ccc1C1=NCCN12 ZINC000012086105 221147675 /nfs/dbraw/zinc/14/76/75/221147675.db2.gz GHZQEKXMEPCGOE-UHFFFAOYSA-N 1 1 375.904 2.144 40 0 GEABMO CC(C)NC(=O)CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCN12 ZINC000012086105 221147676 /nfs/dbraw/zinc/14/76/76/221147676.db2.gz GHZQEKXMEPCGOE-UHFFFAOYSA-N 1 1 375.904 2.144 40 0 GEABMO COc1cccc(CNC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccn2)C3)c1 ZINC000012114493 221152183 /nfs/dbraw/zinc/15/21/83/221152183.db2.gz PIFJAVBMTKAYKU-VSOVRNOCSA-N 1 1 381.476 2.221 40 0 GEABMO COc1cccc(CNC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccn2)C3)c1 ZINC000012114493 221152186 /nfs/dbraw/zinc/15/21/86/221152186.db2.gz PIFJAVBMTKAYKU-VSOVRNOCSA-N 1 1 381.476 2.221 40 0 GEABMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 ZINC000012221643 221168991 /nfs/dbraw/zinc/16/89/91/221168991.db2.gz SGISMIOGANDKPK-DYESRHJHSA-N 1 1 382.464 2.213 40 0 GEABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019018427 221394012 /nfs/dbraw/zinc/39/40/12/221394012.db2.gz ZVPLFLDILBAYFH-KRWDZBQOSA-N 1 1 380.496 2.198 40 0 GEABMO CN(C)C(=O)[C@]12C[N@@H+](Cc3ccccc3F)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251154 136185671 /nfs/dbraw/zinc/18/56/71/136185671.db2.gz HECYTFDCXQEJJW-WIYYLYMNSA-N 1 1 383.471 2.175 40 0 GEABMO Cc1ccccc1C[N@H+]1CC[C@@]2(C1)COCc1cnc(N3CCOCC3)nc12 ZINC000096244166 136185767 /nfs/dbraw/zinc/18/57/67/136185767.db2.gz HJWVCGPAGGNFNM-JOCHJYFZSA-N 1 1 380.492 2.296 40 0 GEABMO COc1ccc(CN2C(=O)CO[C@H]3C[N@@H+](Cc4ccccc4OC)C[C@H]32)cc1 ZINC000067897219 222166870 /nfs/dbraw/zinc/16/68/70/222166870.db2.gz PHUBFIOUZGHQIY-CTNGQTDRSA-N 1 1 382.460 2.316 40 0 biogenic,in-vitro GEABMO COc1ccc(CN2C(=O)CO[C@H]3C[N@H+](Cc4ccccc4OC)C[C@H]32)cc1 ZINC000067897219 222166874 /nfs/dbraw/zinc/16/68/74/222166874.db2.gz PHUBFIOUZGHQIY-CTNGQTDRSA-N 1 1 382.460 2.316 40 0 biogenic,in-vitro GEABMO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1)N1CCOCC1 ZINC000072358529 222239820 /nfs/dbraw/zinc/23/98/20/222239820.db2.gz SYWBWBBGDPMZMS-QGZVFWFLSA-N 1 1 384.455 2.321 40 0 GEABMO O=C(C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1)N1CCOCC1 ZINC000072358529 222239821 /nfs/dbraw/zinc/23/98/21/222239821.db2.gz SYWBWBBGDPMZMS-QGZVFWFLSA-N 1 1 384.455 2.321 40 0 GEABMO COc1cc(C)ccc1C[N@@H+]1CCc2nnc([C@H]3CCCN3C(C)=O)n2CC1 ZINC000072372763 222242551 /nfs/dbraw/zinc/24/25/51/222242551.db2.gz HTJXJRKKKHXCEF-GOSISDBHSA-N 1 1 383.496 2.337 40 0 GEABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)Cc1ccccc1)CC2 ZINC000072380114 222244724 /nfs/dbraw/zinc/24/47/24/222244724.db2.gz XRIJHFBIJFVODK-KRWDZBQOSA-N 1 1 379.508 2.455 40 0 GEABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cc1 ZINC000072380591 222245240 /nfs/dbraw/zinc/24/52/40/222245240.db2.gz DDJJTXZBGIHLIB-QGZVFWFLSA-N 1 1 384.480 2.270 40 0 GEABMO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)N4CCOCC4)n[nH]3)C2)cc1 ZINC000072380591 222245244 /nfs/dbraw/zinc/24/52/44/222245244.db2.gz DDJJTXZBGIHLIB-QGZVFWFLSA-N 1 1 384.480 2.270 40 0 GEABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)N4CCOCC4)n[nH]3)C2)cc1 ZINC000072380591 222245246 /nfs/dbraw/zinc/24/52/46/222245246.db2.gz DDJJTXZBGIHLIB-QGZVFWFLSA-N 1 1 384.480 2.270 40 0 GEABMO C[N@H+]1CC[C@H](c2nn(CCNC(=O)COc3ccccc3)c3ncccc23)C1 ZINC000072391582 222248220 /nfs/dbraw/zinc/24/82/20/222248220.db2.gz FXYONFUVLKEDJW-INIZCTEOSA-N 1 1 379.464 2.046 40 0 GEABMO CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1CN(Cc1cnn(C)c1)CCC2 ZINC000096056029 222374838 /nfs/dbraw/zinc/37/48/38/222374838.db2.gz DRFXRKVNVSGEQN-FPOVZHCZSA-N 1 1 386.496 2.290 40 0 GEABMO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@H+](Cc1cnn(C)c1)CCC2 ZINC000096056029 222374841 /nfs/dbraw/zinc/37/48/41/222374841.db2.gz DRFXRKVNVSGEQN-FPOVZHCZSA-N 1 1 386.496 2.290 40 0 GEABMO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1cnn(C)c1)CCC2 ZINC000096056029 222374844 /nfs/dbraw/zinc/37/48/44/222374844.db2.gz DRFXRKVNVSGEQN-FPOVZHCZSA-N 1 1 386.496 2.290 40 0 GEABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCN(C)CC3)n2)cn1 ZINC000035425423 560080350 /nfs/dbraw/zinc/08/03/50/560080350.db2.gz CNYNZAOICJOXFZ-KRWDZBQOSA-N 1 1 387.484 2.388 40 0 biogenic,in-vitro GEABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCN(C)CC3)n2)cn1 ZINC000035425423 560080352 /nfs/dbraw/zinc/08/03/52/560080352.db2.gz CNYNZAOICJOXFZ-KRWDZBQOSA-N 1 1 387.484 2.388 40 0 biogenic,in-vitro GEABMO CN1CCN(c2ccc(-c3noc([C@@H]4CCC[N@H+]4C4CCOCC4)n3)cn2)CC1 ZINC000049155143 560083895 /nfs/dbraw/zinc/08/38/95/560083895.db2.gz GHCCEQUJPQEBGH-SFHVURJKSA-N 1 1 398.511 2.199 40 0 biogenic,in-vitro GEABMO CN([C@@H]1CCC[N@@H+](Cc2cnn(C)c2)CC1)S(=O)(=O)c1cccc(F)c1 ZINC000019749687 570215163 /nfs/dbraw/zinc/21/51/63/570215163.db2.gz YAUWTGYJIGENIR-QGZVFWFLSA-N 1 1 380.489 2.234 40 0 GEABMO CN(C)C(=O)N1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096242263 570222838 /nfs/dbraw/zinc/22/28/38/570222838.db2.gz CGZXGUJICNWCEM-GOSISDBHSA-N 1 1 398.551 2.353 40 0 GEABMO CN(C)c1nc2c(cc1C(=O)N1CCCC1)CC[N@@H+](Cc1cccnc1)CC2 ZINC000096260386 570225391 /nfs/dbraw/zinc/22/53/91/570225391.db2.gz UBXRZIUCXGIJRU-UHFFFAOYSA-N 1 1 379.508 2.379 40 0 GEABMO COc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCCO)cc2)c1 ZINC000585269789 570238640 /nfs/dbraw/zinc/23/86/40/570238640.db2.gz JKNOHLGYKDLCJA-SFHVURJKSA-N 1 1 375.465 2.328 40 0 GEABMO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@](O)(COc2ccccc2)C1 ZINC000585272812 570242579 /nfs/dbraw/zinc/24/25/79/570242579.db2.gz JUQICDZHJVXUNR-JOCHJYFZSA-N 1 1 384.476 2.217 40 0 GEABMO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@](O)(COc2ccccc2)C1 ZINC000585272812 570242581 /nfs/dbraw/zinc/24/25/81/570242581.db2.gz JUQICDZHJVXUNR-JOCHJYFZSA-N 1 1 384.476 2.217 40 0 GEABMO OC1(C[N@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CCCCCC1 ZINC000585281837 570247941 /nfs/dbraw/zinc/24/79/41/570247941.db2.gz CBPBMGNJWOYVQK-FQEVSTJZSA-N 1 1 385.451 2.492 40 0 GEABMO O[C@H]1CC[N@@H+](CC2(O)CCCCCC2)C[C@]1(O)COc1cc(F)cc(F)c1 ZINC000585281843 570248415 /nfs/dbraw/zinc/24/84/15/570248415.db2.gz CDBCGMNDBDUPEF-ICSRJNTNSA-N 1 1 385.451 2.227 40 0 GEABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCCC[C@@H]3N(C(C)=O)CCC[C@@]32C)CC1 ZINC000585282886 570250816 /nfs/dbraw/zinc/25/08/16/570250816.db2.gz IXCVOFVLBQXMQC-ICSRJNTNSA-N 1 1 395.544 2.225 40 0 GEABMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000042646421 570303551 /nfs/dbraw/zinc/30/35/51/570303551.db2.gz RYTRZFBKYRMKKS-UHFFFAOYSA-N 1 1 393.793 2.136 40 0 GEABMO O=C(NCC1CCOCC1)[C@H]1C[N@@H+](Cc2cccc(F)c2F)[C@@H]2CCO[C@@H]21 ZINC000108531534 570313004 /nfs/dbraw/zinc/31/30/04/570313004.db2.gz NQZIYFQLTFPQGQ-KVSKMBFKSA-N 1 1 380.435 2.097 40 0 GEABMO O=C(NCC1CCOCC1)[C@H]1C[N@H+](Cc2cccc(F)c2F)[C@@H]2CCO[C@@H]21 ZINC000108531534 570313006 /nfs/dbraw/zinc/31/30/06/570313006.db2.gz NQZIYFQLTFPQGQ-KVSKMBFKSA-N 1 1 380.435 2.097 40 0 GEABMO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000004906099 570416747 /nfs/dbraw/zinc/41/67/47/570416747.db2.gz YHHGRKYCZZNHSS-FRQCXROJSA-N 1 1 377.510 2.140 40 0 GEABMO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)[nH]1 ZINC000223206365 570449791 /nfs/dbraw/zinc/44/97/91/570449791.db2.gz ZPERSGHFQOZRQZ-OALUTQOASA-N 1 1 385.537 2.413 40 0 GEABMO Cn1c(CN2CCOCC2)cc(=O)c(O)c1C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000095474884 570540636 /nfs/dbraw/zinc/54/06/36/570540636.db2.gz LZRJPMXVUMQKJB-VGOFRKELSA-N 1 1 389.540 2.324 40 0 GEABMO COc1ccc(Cn2nnnc2[C@H](CC(C)C)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000004873941 570641646 /nfs/dbraw/zinc/64/16/46/570641646.db2.gz SALRKVJGTQZSOP-SFHVURJKSA-N 1 1 386.500 2.015 40 0 GEABMO COCC[N@H+]1C[C@H](COC)C2(C1)CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000247879595 570716657 /nfs/dbraw/zinc/71/66/57/570716657.db2.gz PQWMIRNCCGBIBD-GOSISDBHSA-N 1 1 376.497 2.142 40 0 GEABMO COCCn1cnc2cc(C(=O)N(C)[C@@H]3CC[C@@H](n4cc[nH+]c4C)[C@@H]3O)ccc21 ZINC000257212859 570761747 /nfs/dbraw/zinc/76/17/47/570761747.db2.gz CFGCKSHYIXVWOF-VAMGGRTRSA-N 1 1 397.479 2.024 40 0 GEABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000257215103 570762111 /nfs/dbraw/zinc/76/21/11/570762111.db2.gz COSAMPZCXQDFRB-DNVJHFABSA-N 1 1 392.503 2.382 40 0 GEABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CC[N@@H+](Cc1ccccn1)C2 ZINC000257215103 570762115 /nfs/dbraw/zinc/76/21/15/570762115.db2.gz COSAMPZCXQDFRB-DNVJHFABSA-N 1 1 392.503 2.382 40 0 GEABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)Cn4nc(C)cc4C)C[C@@H]32)cc1 ZINC000257224179 570763501 /nfs/dbraw/zinc/76/35/01/570763501.db2.gz FAPZPKLDNWTBKY-NJDAHSKKSA-N 1 1 382.508 2.455 40 0 GEABMO COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C(=O)c3ncccc3O)CC2)cc1 ZINC000257257821 570771451 /nfs/dbraw/zinc/77/14/51/570771451.db2.gz KRFGYKYXIXEJBH-QFIPXVFZSA-N 1 1 399.491 2.285 40 0 GEABMO CC(=O)N[C@]12C[N@@H+](Cc3cccnc3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257327625 570782447 /nfs/dbraw/zinc/78/24/47/570782447.db2.gz XCBWJFOKMMSFSS-DNVJHFABSA-N 1 1 392.503 2.382 40 0 GEABMO Cc1noc(C)c1CN1C[C@]2(CCC[N@H+](Cc3cnc(Cl)cn3)C2)C1=O ZINC000585099470 570925890 /nfs/dbraw/zinc/92/58/90/570925890.db2.gz LYWGFUBEBABYQJ-GOSISDBHSA-N 1 1 375.860 2.359 40 0 GEABMO Cc1noc(C)c1CN1C[C@]2(CCC[N@@H+](Cc3cnc(Cl)cn3)C2)C1=O ZINC000585099470 570925893 /nfs/dbraw/zinc/92/58/93/570925893.db2.gz LYWGFUBEBABYQJ-GOSISDBHSA-N 1 1 375.860 2.359 40 0 GEABMO CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)c(OC)c1)N1CC[NH+](C)CC1 ZINC000019499653 570926443 /nfs/dbraw/zinc/92/64/43/570926443.db2.gz FTVPOZPSRQDYAA-GOSISDBHSA-N 1 1 388.516 2.172 40 0 GEABMO COc1ccccc1[C@H](c1nnnn1CCc1ccccc1)N1CC[NH+](C)CC1 ZINC000019589947 570928364 /nfs/dbraw/zinc/92/83/64/570928364.db2.gz YMTRJVLRYZTKSG-OAQYLSRUSA-N 1 1 392.507 2.261 40 0 GEABMO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)c2ccc(OC)cc2OC)CC1 ZINC000019528035 570928386 /nfs/dbraw/zinc/92/83/86/570928386.db2.gz NIFKJXFXMYVSPM-GOSISDBHSA-N 1 1 388.516 2.172 40 0 GEABMO Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)c4cn(C)nc4C(F)F)C[C@H]3C2)cs1 ZINC000585107577 570935424 /nfs/dbraw/zinc/93/54/24/570935424.db2.gz FGCNEBQTHBILIB-VXGBXAGGSA-N 1 1 381.452 2.327 40 0 GEABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)COc2ccccc2)CC1 ZINC000585106188 570936496 /nfs/dbraw/zinc/93/64/96/570936496.db2.gz WPDVEOQSQMKDHC-RLLQIKCJSA-N 1 1 399.535 2.151 40 0 GEABMO CCNC(=O)NC[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccc(CC)cc3)C2)O1 ZINC000306131483 570939970 /nfs/dbraw/zinc/93/99/70/570939970.db2.gz KGARCYROPSFGDG-PZJWPPBQSA-N 1 1 375.513 2.318 40 0 GEABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306134080 570941421 /nfs/dbraw/zinc/94/14/21/570941421.db2.gz NDCKPCVCHCONKN-HOTGVXAUSA-N 1 1 392.438 2.369 40 0 GEABMO Cc1cc(C)cc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@@H]3C2)c1 ZINC000306135825 570942027 /nfs/dbraw/zinc/94/20/27/570942027.db2.gz PCCAQFCPSFSVHH-MSOLQXFVSA-N 1 1 379.508 2.482 40 0 GEABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](CC1CC1)C[C@@H]2c1cccnc1 ZINC000306140102 570944181 /nfs/dbraw/zinc/94/41/81/570944181.db2.gz UJYRJPOHWOIQRS-IRLDBZIGSA-N 1 1 378.476 2.084 40 0 GEABMO C[N@H+]1Cc2cccc(-c3cnc4n3CCN(C(=O)c3csnn3)CC4)c2C1 ZINC000585111126 570945233 /nfs/dbraw/zinc/94/52/33/570945233.db2.gz FNLVGHOLWRSLQC-UHFFFAOYSA-N 1 1 380.477 2.046 40 0 GEABMO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CC[N@@H+](CC4CC4)C3)nc2C1 ZINC000019347684 570977962 /nfs/dbraw/zinc/97/79/62/570977962.db2.gz KIVDAIDYGTYTPW-OAHLLOKOSA-N 1 1 396.466 2.307 40 0 GEABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000019500317 570992028 /nfs/dbraw/zinc/99/20/28/570992028.db2.gz XANIMAYPTQTDAN-HXUWFJFHSA-N 1 1 397.567 2.482 40 0 GEABMO COc1cc2c(cc1C[N@H+]1CC[C@H](c3nnc(-c4cnccn4)o3)C1)OCCO2 ZINC000019550544 571000825 /nfs/dbraw/zinc/00/08/25/571000825.db2.gz NYRMIQMUNMSMQL-ZDUSSCGKSA-N 1 1 395.419 2.296 40 0 GEABMO COc1ccc(C[N@H+]2C[C@@H](CO)[C@]3(C2)CCc2ccccc2C(=O)N3)cc1OC ZINC000019561211 571005984 /nfs/dbraw/zinc/00/59/84/571005984.db2.gz SQUHVHSBQACZSN-FDDCHVKYSA-N 1 1 396.487 2.243 40 0 GEABMO Cc1cc(C)n(CCCC(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)n1 ZINC000019574085 571011173 /nfs/dbraw/zinc/01/11/73/571011173.db2.gz YBKKCUUTLFBLQM-IBGZPJMESA-N 1 1 382.512 2.422 40 0 GEABMO Cc1nccn1C[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019658065 571024526 /nfs/dbraw/zinc/02/45/26/571024526.db2.gz WLOSGNSKHCDRRC-IBGZPJMESA-N 1 1 399.514 2.391 40 0 GEABMO CNc1nc([C@@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708858 571033179 /nfs/dbraw/zinc/03/31/79/571033179.db2.gz UOHCSBUQOHZXOJ-CQSZACIVSA-N 1 1 396.495 2.391 40 0 GEABMO CNc1nc([C@@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708858 571033183 /nfs/dbraw/zinc/03/31/83/571033183.db2.gz UOHCSBUQOHZXOJ-CQSZACIVSA-N 1 1 396.495 2.391 40 0 GEABMO COc1ccc(CCC(=O)N2CCc3nnc([C@@H]4CCC[N@@H+](C)C4)n3CC2)cc1 ZINC000019709474 571034118 /nfs/dbraw/zinc/03/41/18/571034118.db2.gz KBYBZNOAIPYALF-GOSISDBHSA-N 1 1 397.523 2.113 40 0 GEABMO