smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)C[NH2+]CCN1CCOCC1 ZINC000035311528 204165564 /nfs/dbraw/zinc/16/55/64/204165564.db2.gz JZJFMVBYLZYOBE-MRXNPFEDSA-N 1 0 375.513 2.236 40 0 GEABRO Cc1cc(C)n2nc(C(=O)Nc3ccc(CN4CC[NH+](C)CC4)cc3)cc2n1 ZINC000035314058 204167184 /nfs/dbraw/zinc/16/71/84/204167184.db2.gz QIGWYNHBXNINAE-UHFFFAOYSA-N 1 0 378.480 2.346 40 0 GEABRO CC1CC[NH+](CCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000007924941 204254624 /nfs/dbraw/zinc/25/46/24/204254624.db2.gz NNGKPRPXCPJMKO-UHFFFAOYSA-N 1 0 393.553 2.323 40 0 GEABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1 ZINC000010111159 204330736 /nfs/dbraw/zinc/33/07/36/204330736.db2.gz AGFPVSNWQDXFNL-UHFFFAOYSA-N 1 0 381.542 2.143 40 0 GEABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1C ZINC000010540530 204335936 /nfs/dbraw/zinc/33/59/36/204335936.db2.gz NECYISUXEFFPQY-UHFFFAOYSA-N 1 0 395.569 2.308 40 0 GEABRO CCc1nn(CC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c(=O)c2cc3occc3n21 ZINC000012115470 204372646 /nfs/dbraw/zinc/37/26/46/204372646.db2.gz HVQBDGSEQHYNPY-OAHLLOKOSA-N 1 0 399.495 2.043 40 0 GEABRO COc1ccc(C2(O)CC[NH+](C[C@H](O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012292122 204389394 /nfs/dbraw/zinc/38/93/94/204389394.db2.gz MTCPSSKVKPTLDB-IBGZPJMESA-N 1 0 385.460 2.483 40 0 GEABRO CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1 ZINC000019499457 204647921 /nfs/dbraw/zinc/64/79/21/204647921.db2.gz ZYDGYYUXBNXNAL-KSSFIOAISA-N 1 0 384.455 2.435 40 0 GEABRO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000047110569 205108255 /nfs/dbraw/zinc/10/82/55/205108255.db2.gz PDJHPIJDECRSCV-QGZVFWFLSA-N 1 0 393.553 2.323 40 0 GEABRO CCN(CC[NH+](CC)CC)C(=O)Cn1nc(C)n2c3ccsc3cc2c1=O ZINC000072334622 205328454 /nfs/dbraw/zinc/32/84/54/205328454.db2.gz LTQQSTOCCLACBI-UHFFFAOYSA-N 1 0 389.525 2.209 40 0 GEABRO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)C[NH+](C)C)C3)n2)n1 ZINC000072360071 205334247 /nfs/dbraw/zinc/33/42/47/205334247.db2.gz KLDNRYPRCLQIDR-MRXNPFEDSA-N 1 0 383.500 2.203 40 0 GEABRO COc1c(C)cccc1C(=O)N1CCC[C@H](c2nnc3n2CC[N@@H+](C)CC3)C1 ZINC000072370938 205335210 /nfs/dbraw/zinc/33/52/10/205335210.db2.gz SCPKIRDWBOKNLL-INIZCTEOSA-N 1 0 383.496 2.103 40 0 GEABRO O=C(Cc1c[nH]c2ccccc12)N1CCc2nnc([C@H]3CCCC[NH2+]3)n2CC1 ZINC000072372837 205336969 /nfs/dbraw/zinc/33/69/69/205336969.db2.gz SOOLIWGJMFMSDD-GOSISDBHSA-N 1 0 378.480 2.201 40 0 GEABRO COc1ccccc1CCC(=O)N1CCCC[C@H]1c1nnc2n1CC[N@@H+](C)C2 ZINC000072374036 205337396 /nfs/dbraw/zinc/33/73/96/205337396.db2.gz APDWSZPJWIZSPA-KRWDZBQOSA-N 1 0 383.496 2.419 40 0 GEABRO Cc1cccc(CC(=O)N2CC[C@H](c3nn(CC[NH+](C)C)c4nccnc34)C2)c1 ZINC000072391692 205341212 /nfs/dbraw/zinc/34/12/12/205341212.db2.gz LGBOUEPGOUDGGT-SFHVURJKSA-N 1 0 392.507 2.255 40 0 GEABRO C[N@@H+]1CC[C@H](c2nn(CCNC(=O)COc3ccc(F)cc3)c3ncccc23)C1 ZINC000072391598 205342053 /nfs/dbraw/zinc/34/20/53/205342053.db2.gz WWPKBTCRTJORPD-HNNXBMFYSA-N 1 0 397.454 2.185 40 0 GEABRO COc1ccc2c(c1)c([C@H]1C[N@H+](Cc3cnn(C)c3C)C[C@@H]1NC(C)=O)cn2C ZINC000072395731 205344274 /nfs/dbraw/zinc/34/42/74/205344274.db2.gz VPXRGAYWVHDQAT-RTWAWAEBSA-N 1 0 395.507 2.333 40 0 GEABRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1 ZINC000225677437 206065212 /nfs/dbraw/zinc/06/52/12/206065212.db2.gz HWRVVPHPKKKTEL-UHFFFAOYSA-N 1 0 383.539 2.000 40 0 GEABRO NC(=O)CC1(COc2cccc(Cl)c2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000257208597 206160041 /nfs/dbraw/zinc/16/00/41/206160041.db2.gz BMUPCTALRWMKEE-UHFFFAOYSA-N 1 0 393.915 2.299 40 0 GEABRO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1cccnc1 ZINC000257221397 206160686 /nfs/dbraw/zinc/16/06/86/206160686.db2.gz DOWYOYHUOUJRBN-CGXNFDGLSA-N 1 0 381.476 2.247 40 0 GEABRO Cn1c(=O)c2ccc([C@H]3CC[N@H+](Cc4ccc5[nH]ccc5c4)C3)nc2n(C)c1=O ZINC000257215736 206160991 /nfs/dbraw/zinc/16/09/91/206160991.db2.gz CRKUPYLRNRKARH-INIZCTEOSA-N 1 0 389.459 2.103 40 0 GEABRO CNC(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)C[NH+]1CCCCCC1 ZINC000257275230 206171796 /nfs/dbraw/zinc/17/17/96/206171796.db2.gz NOLFZYXRHODUEN-QGZVFWFLSA-N 1 0 398.511 2.019 40 0 GEABRO CCCN1CC[N@H+](CCC(N)=O)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257297735 206174639 /nfs/dbraw/zinc/17/46/39/206174639.db2.gz RIQIHUUQZXEIKI-HXUWFJFHSA-N 1 0 394.519 2.337 40 0 GEABRO COCC[NH+]1CCC(c2cc(N3CC4(CCOCC4)OC3=O)nc(C)n2)CC1 ZINC000257240516 206164276 /nfs/dbraw/zinc/16/42/76/206164276.db2.gz HTVOVFZBQFTPFR-UHFFFAOYSA-N 1 0 390.484 2.117 40 0 GEABRO O=C(C[NH+]1CCCC1)N1[C@H](Cc2cccc(F)c2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000257320436 206178022 /nfs/dbraw/zinc/17/80/22/206178022.db2.gz VWUZOMZOHICYMU-HSALFYBXSA-N 1 0 387.499 2.492 40 0 GEABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)CN1CCCC1=O)[C@@H]3Cc1ccccc1 ZINC000257343457 206181858 /nfs/dbraw/zinc/18/18/58/206181858.db2.gz ZTCZWJOVBRQYHF-UFWNDYSESA-N 1 0 381.520 2.352 40 0 GEABRO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257344435 206183090 /nfs/dbraw/zinc/18/30/90/206183090.db2.gz ZXENYYWEUROPKI-SFHVURJKSA-N 1 0 384.471 2.044 40 0 GEABRO COCCN1C(=O)C[C@@H](C(=O)N(C)CC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000257344049 206183483 /nfs/dbraw/zinc/18/34/83/206183483.db2.gz ZVNWBBBUBPEQOB-CTNGQTDRSA-N 1 0 387.524 2.023 40 0 GEABRO COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)C4CCC4)CC[C@@H]3[N@@H+]2C)cc1 ZINC000306123192 206195089 /nfs/dbraw/zinc/19/50/89/206195089.db2.gz AGVPRIIBFSVRMK-HOJAQTOUSA-N 1 0 385.508 2.033 40 0 GEABRO O[C@H](COCCOc1ccc(F)cc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000041690294 206194701 /nfs/dbraw/zinc/19/47/01/206194701.db2.gz HUOSSUYGKRWQHT-NRFANRHFSA-N 1 0 388.483 2.400 40 0 GEABRO COc1cccc(C[NH+]2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)c1 ZINC000306139791 206204640 /nfs/dbraw/zinc/20/46/40/206204640.db2.gz UATQZNQINDWLPA-UHFFFAOYSA-N 1 0 395.507 2.408 40 0 GEABRO CC(C)[N@@H+]1CCOC[C@@]2(CC[C@H](CNS(=O)(=O)/C=C/c3ccccc3)O2)C1 ZINC000306140854 206205388 /nfs/dbraw/zinc/20/53/88/206205388.db2.gz VFJUCWKJXWNHFS-LRHIHOEBSA-N 1 0 394.537 2.235 40 0 GEABRO Cn1cc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cnc(C(C)(C)C)nc23)cn1 ZINC000306138271 206205444 /nfs/dbraw/zinc/20/54/44/206205444.db2.gz RTVYRKKYNQXUCW-UHFFFAOYSA-N 1 0 382.512 2.127 40 0 GEABRO COCCN1CC[C@@]2(C[N@H+](Cc3ccncc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306124324 206197502 /nfs/dbraw/zinc/19/75/02/206197502.db2.gz BMSLTEYOVUWYPU-KNQAVFIVSA-N 1 0 397.523 2.324 40 0 GEABRO O=C1N(CC2CC2)CCO[C@@]12C[N@H+](Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306133497 206201701 /nfs/dbraw/zinc/20/17/01/206201701.db2.gz MNHIZMHJQVXFEA-IFMALSPDSA-N 1 0 378.476 2.084 40 0 GEABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cnn(C)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306137531 206203926 /nfs/dbraw/zinc/20/39/26/206203926.db2.gz QZEVCHAYKHEUGY-KNQAVFIVSA-N 1 0 396.539 2.426 40 0 GEABRO C[NH+](C)C[C@@H]1[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 ZINC000019366215 517908716 /nfs/dbraw/zinc/90/87/16/517908716.db2.gz FFPATKGBQDEKQE-FGZHOGPDSA-N 1 0 394.515 2.490 40 0 GEABRO O=S(=O)(C1CC1)N1CCC2(C[C@@H]([NH+]3CCOCC3)c3ccccc32)CC1 ZINC000096079229 570209913 /nfs/dbraw/zinc/20/99/13/570209913.db2.gz BSEKVHIWWCBGQJ-LJQANCHMSA-N 1 0 376.522 2.289 40 0 GEABRO C[NH+](C)CCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccnc2)n1 ZINC000329007180 570211834 /nfs/dbraw/zinc/21/18/34/570211834.db2.gz LICOVQBHPOEYMR-UHFFFAOYSA-N 1 0 384.434 2.246 40 0 GEABRO Cc1nc([C@@H]2CCCCN2C(=O)C[NH+](C)C)nc2c1CCC(=O)N2CC1CC1 ZINC000019740872 570212364 /nfs/dbraw/zinc/21/23/64/570212364.db2.gz YGWZWPUHIAYAFS-KRWDZBQOSA-N 1 0 385.512 2.089 40 0 GEABRO CC(C)C[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000019743485 570213155 /nfs/dbraw/zinc/21/31/55/570213155.db2.gz SEPXGYRIFUWTMF-GFCCVEGCSA-N 1 0 398.429 2.486 40 0 GEABRO CCc1nc(C)c(C(=O)N2CCC([C@@H]3CCCC[N@@H+]3CC(=O)N(C)C)CC2)o1 ZINC000019746325 570213722 /nfs/dbraw/zinc/21/37/22/570213722.db2.gz OCZVIPPQKORHKW-KRWDZBQOSA-N 1 0 390.528 2.340 40 0 GEABRO COCC[NH+]1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC(C)C)C2 ZINC000096145159 570213761 /nfs/dbraw/zinc/21/37/61/570213761.db2.gz VRBRSSQUJYQEJG-UHFFFAOYSA-N 1 0 396.553 2.454 40 0 GEABRO C[C@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329046041 570214934 /nfs/dbraw/zinc/21/49/34/570214934.db2.gz TZHRKUKDDGCXJJ-LLVKDONJSA-N 1 0 377.286 2.365 40 0 GEABRO C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CCN(C(=O)NCc1cccnc1)CC2 ZINC000096220876 570219955 /nfs/dbraw/zinc/21/99/55/570219955.db2.gz BFUXETVADCRVHZ-FQEVSTJZSA-N 1 0 395.507 2.442 40 0 GEABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(C(=O)c1ccc(OC)cc1)CC3 ZINC000096262440 570226215 /nfs/dbraw/zinc/22/62/15/570226215.db2.gz DWDGIHMKODYFHL-WMZHIEFXSA-N 1 0 399.535 2.396 40 0 GEABRO CC(C)n1cnc2c1[C@@H](C(=O)NCC[NH+]1CCCC1)N(Cc1cccnc1)CC2 ZINC000096265054 570226823 /nfs/dbraw/zinc/22/68/23/570226823.db2.gz UMODJJZTJRUJOE-NRFANRHFSA-N 1 0 396.539 2.170 40 0 GEABRO C[NH+](C)CCNC(=O)c1c2ccccn2c2ncnc(NCc3cccnc3)c21 ZINC000096264375 570226857 /nfs/dbraw/zinc/22/68/57/570226857.db2.gz QKVSHGOICMBJTN-UHFFFAOYSA-N 1 0 389.463 2.181 40 0 GEABRO CC(C)[N@@H+]1CC[C@@H](c2nnc3ccc(C(=O)NCCc4cccnc4)cn32)C1 ZINC000096267449 570227763 /nfs/dbraw/zinc/22/77/63/570227763.db2.gz ZUSFHRASGXNEAG-QGZVFWFLSA-N 1 0 378.480 2.295 40 0 GEABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585283519 570251673 /nfs/dbraw/zinc/25/16/73/570251673.db2.gz RNHBMOMLPLTHEN-NRFANRHFSA-N 1 0 392.496 2.058 40 0 GEABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CC2CCCCC2)C1 ZINC000585285224 570254283 /nfs/dbraw/zinc/25/42/83/570254283.db2.gz PLEHDICUFWGHPS-PZJWPPBQSA-N 1 0 394.943 2.377 40 0 GEABRO C[N@H+](Cc1ccccc1)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585285783 570255364 /nfs/dbraw/zinc/25/53/64/570255364.db2.gz TXYJSOGHYKKXQA-FPOVZHCZSA-N 1 0 388.895 2.410 40 0 GEABRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC000072216292 570317270 /nfs/dbraw/zinc/31/72/70/570317270.db2.gz HKSXMKTZEHHSPR-IBGZPJMESA-N 1 0 386.521 2.325 40 0 GEABRO CCCCCCOC[C@@H](O)CNCC[NH2+]C[C@H](O)COCCCCCC ZINC000022584288 570322310 /nfs/dbraw/zinc/32/23/10/570322310.db2.gz ZSARAAXPFCGJBR-PMACEKPBSA-N 1 0 376.582 2.081 40 0 GEABRO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)N1)Nc1ccccc1 ZINC000022607374 570322846 /nfs/dbraw/zinc/32/28/46/570322846.db2.gz DDBFHUDURAJBPE-ZDUSSCGKSA-N 1 0 394.391 2.075 40 0 GEABRO C[NH+]1CCC(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000023110403 570344235 /nfs/dbraw/zinc/34/42/35/570344235.db2.gz PAHJBZIKQPXFFG-UHFFFAOYSA-N 1 0 393.553 2.004 40 0 GEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382062 570353202 /nfs/dbraw/zinc/35/32/02/570353202.db2.gz BOJKKHGDLSOGQC-BRSBDYLESA-N 1 0 381.467 2.422 40 0 biogenic,in-vitro GEABRO Cc1nccc(C[C@H]2[C@H]([NH2+]Cc3ccccc3C(F)(F)F)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382344 570353318 /nfs/dbraw/zinc/35/33/18/570353318.db2.gz OVBHAZDRFJSHBJ-PSBWJHGTSA-N 1 0 395.425 2.494 40 0 biogenic,in-vitro GEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382630 570353607 /nfs/dbraw/zinc/35/36/07/570353607.db2.gz WDOQPBBIVMYLNX-XRXFAXGQSA-N 1 0 383.492 2.098 40 0 biogenic,in-vitro GEABRO c1ccc(CCn2nnnc2[C@H](c2cccnc2)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000022931194 570379244 /nfs/dbraw/zinc/37/92/44/570379244.db2.gz XYYWYLNMDXRUDO-SFTDATJTSA-N 1 0 389.507 2.180 40 0 GEABRO CC(C)NC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000008297964 570527386 /nfs/dbraw/zinc/52/73/86/570527386.db2.gz NMYSQKCNGKXHEO-POAQFYNOSA-N 1 0 383.496 2.092 40 0 biogenic,in-vitro GEABRO [NH3+]C[C@]1(CO)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218215849 570817043 /nfs/dbraw/zinc/81/70/43/570817043.db2.gz JIRVDPWRCFPHGZ-IKGGRYGDSA-N 1 0 396.306 2.326 40 0 GEABRO CN(CC(=O)N(C)C1CCCCC1)Cc1cc(N(C)C)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760218 570899364 /nfs/dbraw/zinc/89/93/64/570899364.db2.gz DQSMDGTUGRYLDX-GOSISDBHSA-N 1 0 388.560 2.190 40 0 GEABRO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000017079284 570918247 /nfs/dbraw/zinc/91/82/47/570918247.db2.gz LGBUWWSAMVWYNL-UHFFFAOYSA-N 1 0 388.439 2.362 40 0 GEABRO Cc1ccc(CNC(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC(C)C)C[C@@H]23)cc1 ZINC000585106243 570936218 /nfs/dbraw/zinc/93/62/18/570936218.db2.gz YXDVIZBOSNPVIM-UXHICEINSA-N 1 0 398.551 2.373 40 0 GEABRO C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000020151132 570942470 /nfs/dbraw/zinc/94/24/70/570942470.db2.gz YJXXVJCLYQHMBN-UHFFFAOYSA-N 1 0 379.570 2.385 40 0 GEABRO O=S(=O)(c1ccc(F)cc1)N1Cc2ccnn2[C@H](CC[NH+]2CCCC2)C1 ZINC000585112606 570943224 /nfs/dbraw/zinc/94/32/24/570943224.db2.gz UEDWQVQHRJPLKH-QGZVFWFLSA-N 1 0 378.473 2.254 40 0 GEABRO O=C(NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000017812290 570949066 /nfs/dbraw/zinc/94/90/66/570949066.db2.gz RKTCDVBCMZNILV-UHFFFAOYSA-N 1 0 393.553 2.080 40 0 GEABRO CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019022327 570955101 /nfs/dbraw/zinc/95/51/01/570955101.db2.gz PVTKGEXDASYZSI-QGZVFWFLSA-N 1 0 393.491 2.443 40 0 GEABRO C[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019079392 570955899 /nfs/dbraw/zinc/95/58/99/570955899.db2.gz YMHBVCVUWNOPCP-CABCVRRESA-N 1 0 384.455 2.435 40 0 GEABRO Cc1cc(C(F)F)nn1[C@H](C)C(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019119049 570957130 /nfs/dbraw/zinc/95/71/30/570957130.db2.gz BLXSFJVYLYXGIS-IUODEOHRSA-N 1 0 390.438 2.490 40 0 GEABRO Cc1ccc([C@@H](C)C(=O)N2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019135634 570958551 /nfs/dbraw/zinc/95/85/51/570958551.db2.gz NTBHMMUIPCLTKG-NVXWUHKLSA-N 1 0 378.480 2.213 40 0 GEABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H](Cn2nnc3c2nc(C)[nH]c3=O)C1 ZINC000019235991 570966595 /nfs/dbraw/zinc/96/65/95/570966595.db2.gz HSCKDIQGCMPHMF-OAHLLOKOSA-N 1 0 382.468 2.052 40 0 GEABRO Cn1nc(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)cc1C(F)(F)F ZINC000019288748 570971050 /nfs/dbraw/zinc/97/10/50/570971050.db2.gz 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/nfs/dbraw/zinc/81/90/84/220819084.db2.gz FUWMWJKCIGTPRL-QGZVFWFLSA-N 1 0 392.496 2.220 40 0 GEABRO COc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC000113941868 136192214 /nfs/dbraw/zinc/19/22/14/136192214.db2.gz XKIYXHWEKLQFHF-UHFFFAOYSA-N 1 0 391.493 2.256 40 0 GEABRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000072347464 222235189 /nfs/dbraw/zinc/23/51/89/222235189.db2.gz SUPCTTYDZPBMDM-OAHLLOKOSA-N 1 0 396.491 2.336 40 0 GEABRO Cc1cccc(C(=O)Nc2cc3c(cc2N2CC[NH+](C)CC2)n(C)c(=O)n3C)c1 ZINC000408532986 534625674 /nfs/dbraw/zinc/62/56/74/534625674.db2.gz NOUOUPDHAQUZIA-UHFFFAOYSA-N 1 0 393.491 2.190 40 0 GEABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)c3ccccc3)CCN21 ZINC000253405408 560040254 /nfs/dbraw/zinc/04/02/54/560040254.db2.gz SGEJPTCNJXWDME-GGAORHGYSA-N 1 0 379.504 2.080 40 0 biogenic,in-vitro GEABRO C[NH+](C)CCCNc1nc(NCc2ccccc2F)cc(-c2ccncc2)n1 ZINC000328972637 570210137 /nfs/dbraw/zinc/21/01/37/570210137.db2.gz DWLZKIQAWZDSAK-UHFFFAOYSA-N 1 0 380.471 2.497 40 0 GEABRO CC(C)CS(=O)(=O)N1CC[C@H]2[N@H+](C)CC[C@@]2(C(=O)Nc2ccccc2)CC1 ZINC000096087785 570210255 /nfs/dbraw/zinc/21/02/55/570210255.db2.gz BCXLNWZAXVUBJY-UYAOXDASSA-N 1 0 393.553 2.397 40 0 GEABRO CCCN1CCc2cc(-c3cncn3CC[NH2+][C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719711 570210912 /nfs/dbraw/zinc/21/09/12/570210912.db2.gz HQDYGRXBNBUEOF-GOSISDBHSA-N 1 0 388.537 2.099 40 0 GEABRO Cc1nc(C)c(C(=O)N2CCC([C@H]3CCCC[N@H+]3CC(=O)N(C)C)CC2)o1 ZINC000019746363 570213980 /nfs/dbraw/zinc/21/39/80/570213980.db2.gz XWFHXZHDQOYGMP-QGZVFWFLSA-N 1 0 376.501 2.086 40 0 GEABRO C[NH+](C)CCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccncc2)n1 ZINC000329050847 570215196 /nfs/dbraw/zinc/21/51/96/570215196.db2.gz UVDBVSPWEAGRFY-UHFFFAOYSA-N 1 0 384.434 2.246 40 0 GEABRO COCC[N@@H+]1CC[C@@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 ZINC000019753097 570215933 /nfs/dbraw/zinc/21/59/33/570215933.db2.gz CEIFQWXGRXBZNP-QGZVFWFLSA-N 1 0 384.480 2.159 40 0 GEABRO C[NH+](C)C1CCN(C(=O)C2=NO[C@]3(CCN(Cc4cccc(F)c4)C3)C2)CC1 ZINC000096225676 570220564 /nfs/dbraw/zinc/22/05/64/570220564.db2.gz MOJIODRLEIXFPX-OAQYLSRUSA-N 1 0 388.487 2.099 40 0 GEABRO O=C(NCCC[NH+]1CCCC1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020037609 570236545 /nfs/dbraw/zinc/23/65/45/570236545.db2.gz GMCAZTBYJXWXNA-UHFFFAOYSA-N 1 0 393.553 2.218 40 0 GEABRO Cc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)cc1 ZINC000585284360 570253391 /nfs/dbraw/zinc/25/33/91/570253391.db2.gz KKORCGCZSQCHSR-GMAHTHKFSA-N 1 0 382.504 2.042 40 0 GEABRO O[C@H]1CC[N@H+](CC2(O)CCCCCC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585284576 570253796 /nfs/dbraw/zinc/25/37/96/570253796.db2.gz YKBGDQSRYMKIEM-ICSRJNTNSA-N 1 0 385.451 2.227 40 0 GEABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCc2ccccc2)C1 ZINC000585284592 570254004 /nfs/dbraw/zinc/25/40/04/570254004.db2.gz MBCBSIDFFZSPKQ-PZJWPPBQSA-N 1 0 388.895 2.110 40 0 GEABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CC2CCCCC2)[C@@H](O)C1 ZINC000585286170 570255620 /nfs/dbraw/zinc/25/56/20/570255620.db2.gz WKIVDROCZFBMGP-ICSRJNTNSA-N 1 0 380.916 2.448 40 0 GEABRO CCN1C[C@]2(CC1=O)CN(C(=O)C(C)C)CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000097952789 570261574 /nfs/dbraw/zinc/26/15/74/570261574.db2.gz SEDZAVUOPJRRKO-JOCHJYFZSA-N 1 0 387.524 2.234 40 0 GEABRO Cc1ccc(C)c(NC(=O)C[C@@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)c1 ZINC000020799109 570280962 /nfs/dbraw/zinc/28/09/62/570280962.db2.gz LUSJCLIZTWUOON-INIZCTEOSA-N 1 0 378.436 2.123 40 0 GEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(O)c1 ZINC000020801160 570281238 /nfs/dbraw/zinc/28/12/38/570281238.db2.gz BWHAEMPMYDVHAP-OALUTQOASA-N 1 0 393.443 2.157 40 0 GEABRO C[N@@H+](Cc1ccc(OCCOCCO)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257305210 570488585 /nfs/dbraw/zinc/48/85/85/570488585.db2.gz SOXORSZTHRIKKN-LJQANCHMSA-N 1 0 381.513 2.216 40 0 GEABRO Cc1cc(C)cc(N([C@@H](C)C(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)c1 ZINC000010278769 570567388 /nfs/dbraw/zinc/56/73/88/570567388.db2.gz DYJSDBWPQCJFFV-SFHVURJKSA-N 1 0 395.569 2.450 40 0 GEABRO CC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000012366363 570647205 /nfs/dbraw/zinc/64/72/05/570647205.db2.gz ZYRKWIWUOSUPQM-LEWJYISDSA-N 1 0 395.503 2.085 40 0 GEABRO CS(=O)(=O)CCN1C(=O)CC[C@]12CCC[N@H+](CCc1ccccc1)CC2 ZINC000585100570 570924859 /nfs/dbraw/zinc/92/48/59/570924859.db2.gz OAISTLKQPUOYKP-FQEVSTJZSA-N 1 0 378.538 2.121 40 0 GEABRO O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000585104501 570933225 /nfs/dbraw/zinc/93/32/25/570933225.db2.gz PGXJCCPNHFSMEL-LJQANCHMSA-N 1 0 378.538 2.483 40 0 GEABRO Cc1ncsc1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCC(C)C)C[C@@H]12 ZINC000585105988 570935387 /nfs/dbraw/zinc/93/53/87/570935387.db2.gz AKJOEAMBPUOJAE-CVEARBPZSA-N 1 0 390.553 2.150 40 0 GEABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000585106182 570935747 /nfs/dbraw/zinc/93/57/47/570935747.db2.gz AQZJDMZRDYMZIH-MOPGFXCFSA-N 1 0 387.499 2.207 40 0 GEABRO C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000019079954 570955892 /nfs/dbraw/zinc/95/58/92/570955892.db2.gz HPILVOPTNAWWBS-OAHLLOKOSA-N 1 0 383.448 2.358 40 0 GEABRO COc1ccc(C)cc1CC(=O)N1CC[C@@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019132954 570958629 /nfs/dbraw/zinc/95/86/29/570958629.db2.gz PTIZHGYRUUHWTO-MRXNPFEDSA-N 1 0 393.491 2.266 40 0 GEABRO Cc1ccc2oc(C(=O)NCCn3nc([C@@H]4CC[NH2+]C4)c4nccnc43)cc2c1 ZINC000019221370 570963289 /nfs/dbraw/zinc/96/32/89/570963289.db2.gz DYTVKLSQZGRGSJ-CQSZACIVSA-N 1 0 390.447 2.388 40 0 GEABRO Cc1ccc2oc(C(=O)NCCn3nc([C@H]4CC[NH2+]C4)c4nccnc43)cc2c1 ZINC000019221373 570963452 /nfs/dbraw/zinc/96/34/52/570963452.db2.gz DYTVKLSQZGRGSJ-AWEZNQCLSA-N 1 0 390.447 2.388 40 0 GEABRO COc1ccc(CC[NH2+][C@@H](C)[C@H](O)c2ccc(NS(C)(=O)=O)c(O)c2)cc1 ZINC000084758832 570972642 /nfs/dbraw/zinc/97/26/42/570972642.db2.gz UOEHIRNDXGQHLQ-DJJJIMSYSA-N 1 0 394.493 2.027 40 0 in-man GEABRO O=C(Cc1ccc2c(c1)OCCO2)N1CCCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019345659 570977721 /nfs/dbraw/zinc/97/77/21/570977721.db2.gz ORDLCSJOTDTYTP-SFHVURJKSA-N 1 0 394.475 2.190 40 0 GEABRO O=C([C@H]1OCCc2ccccc21)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019375463 570981917 /nfs/dbraw/zinc/98/19/17/570981917.db2.gz ZPTBINILMWYCFB-PMACEKPBSA-N 1 0 378.476 2.490 40 0 GEABRO O=C1N[C@@]2(CC[N@H+](Cc3ccc(CN4CCOCC4)o3)C2)CCc2ccccc21 ZINC000019375244 570982055 /nfs/dbraw/zinc/98/20/55/570982055.db2.gz FDZYCELRHKVGHE-HSZRJFAPSA-N 1 0 395.503 2.433 40 0 GEABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21)c1csc2c1CCCC2 ZINC000019404500 570983321 /nfs/dbraw/zinc/98/33/21/570983321.db2.gz GKFMIONYLORGIZ-CYBMUJFWSA-N 1 0 396.520 2.274 40 0 GEABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000019404201 570983384 /nfs/dbraw/zinc/98/33/84/570983384.db2.gz KGGISWQRLAXFAP-IBGZPJMESA-N 1 0 382.512 2.480 40 0 GEABRO C[C@H](C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CC[N@H+](C)C3)CC1)c1ccccc1 ZINC000019459104 570987912 /nfs/dbraw/zinc/98/79/12/570987912.db2.gz ZFPVXNXNPZLFQU-HNNXBMFYSA-N 1 0 380.492 2.268 40 0 GEABRO C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CC[NH2+]C5)C3)ccc2O1 ZINC000019497929 570990499 /nfs/dbraw/zinc/99/04/99/570990499.db2.gz FWOWRNZPEXRRCB-GDBMZVCRSA-N 1 0 378.476 2.466 40 0 GEABRO CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@H]21 ZINC000019499188 570991531 /nfs/dbraw/zinc/99/15/31/570991531.db2.gz KKRQAXXXTBTJRR-VAMGGRTRSA-N 1 0 387.499 2.474 40 0 GEABRO CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1 ZINC000019499454 570992009 /nfs/dbraw/zinc/99/20/09/570992009.db2.gz ZYDGYYUXBNXNAL-RDTXWAMCSA-N 1 0 384.455 2.435 40 0 GEABRO COc1ccc(OC)c(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)c1 ZINC000019551366 571000829 /nfs/dbraw/zinc/00/08/29/571000829.db2.gz FXAVBSFKQCYSBL-IBGZPJMESA-N 1 0 396.491 2.436 40 0 GEABRO Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)c(C)c1C ZINC000019556797 571003459 /nfs/dbraw/zinc/00/34/59/571003459.db2.gz YISQSVLGGWUPLE-ORAYPTAESA-N 1 0 382.512 2.244 40 0 GEABRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000019557061 571003843 /nfs/dbraw/zinc/00/38/43/571003843.db2.gz DPQSLGGEPNBWCB-SFHVURJKSA-N 1 0 388.493 2.047 40 0 GEABRO Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)s1 ZINC000019560060 571004951 /nfs/dbraw/zinc/00/49/51/571004951.db2.gz PDWGJHVBBYLWDA-ZDUSSCGKSA-N 1 0 387.509 2.263 40 0 GEABRO COc1cccc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)c1OC ZINC000019568076 571008788 /nfs/dbraw/zinc/00/87/88/571008788.db2.gz GDGNCFRFMGQWIS-UHFFFAOYSA-N 1 0 392.459 2.450 40 0 GEABRO COCc1ccc(OC)c(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)c1 ZINC000019594361 571020318 /nfs/dbraw/zinc/02/03/18/571020318.db2.gz NQWPEUGNOIHXMX-UHFFFAOYSA-N 1 0 398.507 2.126 40 0 GEABRO CC(=O)N1CCC[C@H]1c1cc(N2CCN(C(=O)COC(C)C)CC2)cc(C)[nH+]1 ZINC000019697982 571030600 /nfs/dbraw/zinc/03/06/00/571030600.db2.gz ZTMOMHIEFNBLDU-FQEVSTJZSA-N 1 0 388.512 2.147 40 0 GEABRO CN(Cc1cc(C2CC[NH2+]CC2)nn1C)C(=O)c1ccnc(N2CCCC2)c1 ZINC000019710196 571034083 /nfs/dbraw/zinc/03/40/83/571034083.db2.gz MJXAAYWSXXTFIT-UHFFFAOYSA-N 1 0 382.512 2.155 40 0 GEABRO CCOCc1ccc(C(=O)N2CCn3c(nnc3[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000019710979 571034804 /nfs/dbraw/zinc/03/48/04/571034804.db2.gz FAXVRMAKGLJYJT-SFHVURJKSA-N 1 0 383.496 2.280 40 0 GEABRO COc1ccc2c(C[NH+]3CCC(c4nnc5n4CCNC5)CC3)cn(C)c2c1 ZINC000019711174 571035118 /nfs/dbraw/zinc/03/51/18/571035118.db2.gz PHJUWMNPKRBCFV-UHFFFAOYSA-N 1 0 380.496 2.261 40 0 GEABRO Cn1c(CCC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)nc2ccccc21 ZINC000019717393 571039666 /nfs/dbraw/zinc/03/96/66/571039666.db2.gz BDDHLSSGYQATKT-UHFFFAOYSA-N 1 0 384.524 2.467 40 0 GEABRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096061344 571098617 /nfs/dbraw/zinc/09/86/17/571098617.db2.gz ZVKYYFANYCOBQJ-HXUWFJFHSA-N 1 0 382.508 2.417 40 0 GEABRO Cc1cc(N2CCc3cc(Br)ccc3C2)nc(NCCCO)[nH+]1 ZINC000328957753 532801202 /nfs/dbraw/zinc/80/12/02/532801202.db2.gz ALINZMPHBRVREG-UHFFFAOYSA-N 1 0 377.286 2.905 40 0 GEABRO COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC000005156717 204115098 /nfs/dbraw/zinc/11/50/98/204115098.db2.gz OLFWINCXUYWIGW-NYVOZVTQSA-N 1 0 388.508 2.222 40 0 GEABRO CC(C)C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000005519469 204137532 /nfs/dbraw/zinc/13/75/32/204137532.db2.gz RHIKZSOLLYWJSO-BBWFWOEESA-N 1 0 397.560 2.142 40 0 GEABRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000006316350 204174034 /nfs/dbraw/zinc/17/40/34/204174034.db2.gz KMJWNVPYSROGOI-UHFFFAOYSA-N 1 0 375.494 2.477 40 0 GEABRO Cc1ccc(C(=O)NCCC[NH+](C)C)cc1S(=O)(=O)Nc1ccccc1 ZINC000010111453 204330566 /nfs/dbraw/zinc/33/05/66/204330566.db2.gz QPLOKZFLCSOLII-UHFFFAOYSA-N 1 0 375.494 2.477 40 0 GEABRO CCc1nn(CC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c(=O)c2cc3occc3n21 ZINC000012115471 204373008 /nfs/dbraw/zinc/37/30/08/204373008.db2.gz HVQBDGSEQHYNPY-HNNXBMFYSA-N 1 0 399.495 2.043 40 0 GEABRO C[NH+]1CCC2(CC1)CN(CC(=O)N1CCCCCC1)C(=O)c1ccccc1O2 ZINC000012142616 204374878 /nfs/dbraw/zinc/37/48/78/204374878.db2.gz JCIUODGKMRQRSP-UHFFFAOYSA-N 1 0 385.508 2.388 40 0 GEABRO Cc1cc2c(ncn(CC(=O)NC(C)(C)C[N@H+]3CCC[C@@H](C)C3)c2=O)s1 ZINC000012203283 204381926 /nfs/dbraw/zinc/38/19/26/204381926.db2.gz DOQIAULIFHBIRO-CYBMUJFWSA-N 1 0 376.526 2.393 40 0 GEABRO Cn1c2ccc(S(=O)(=O)NC3(C[NH+]4CCCC4)CCCCC3)cc2oc1=O ZINC000012239264 204386410 /nfs/dbraw/zinc/38/64/10/204386410.db2.gz ODYRUYJCRZBOPB-UHFFFAOYSA-N 1 0 393.509 2.209 40 0 GEABRO CCc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cn1 ZINC000012276700 204388670 /nfs/dbraw/zinc/38/86/70/204388670.db2.gz VXNBGDOBRINYJV-VSOVRNOCSA-N 1 0 395.507 2.031 40 0 GEABRO O=C(NCC[NH+]1CCC(O)(c2cccc(F)c2)CC1)c1ccc2c(c1)OCO2 ZINC000012290873 204389944 /nfs/dbraw/zinc/38/99/44/204389944.db2.gz SOSVPBSLAVJHPK-UHFFFAOYSA-N 1 0 386.423 2.268 40 0 GEABRO CC(=O)NCCn1nc([C@@H]2CC[N@H+](Cc3ccccc3C)C2)c2nccnc21 ZINC000019237159 204633593 /nfs/dbraw/zinc/63/35/93/204633593.db2.gz VKUFHKQKNOFIKI-GOSISDBHSA-N 1 0 378.480 2.260 40 0 GEABRO COc1ccccc1CC(=O)N(C)Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)C)n1 ZINC000019709955 204673687 /nfs/dbraw/zinc/67/36/87/204673687.db2.gz IWGHWAOXDNLYMQ-QGZVFWFLSA-N 1 0 397.523 2.219 40 0 GEABRO CNc1nc([C@@H]2CCC[NH2+]C2)nc2c1CCN(S(=O)(=O)C1CCCCC1)C2 ZINC000019708547 204674161 /nfs/dbraw/zinc/67/41/61/204674161.db2.gz IRDPXTFSCFLWAC-CQSZACIVSA-N 1 0 393.557 2.006 40 0 GEABRO Cc1nn(C[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c(C)c1C ZINC000019556847 204653545 /nfs/dbraw/zinc/65/35/45/204653545.db2.gz ZFZHFZZIPHPEBH-YJYMSZOUSA-N 1 0 382.512 2.244 40 0 GEABRO O=C(OCc1ccc(Cl)nc1)[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)nc1 ZINC000072203735 205318367 /nfs/dbraw/zinc/31/83/67/205318367.db2.gz GPKMQSCQHRENHF-AWEZNQCLSA-N 1 0 381.263 2.301 40 0 GEABRO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(C(=O)C[NH+](C)C)C3)n2)n1 ZINC000072360072 205334652 /nfs/dbraw/zinc/33/46/52/205334652.db2.gz KLDNRYPRCLQIDR-INIZCTEOSA-N 1 0 383.500 2.203 40 0 GEABRO C[N@@H+]1CCn2c(nnc2C2CCN(C(=O)c3nccc4ccccc43)CC2)C1 ZINC000072372086 205336485 /nfs/dbraw/zinc/33/64/85/205336485.db2.gz UDPLMKNURQKOMP-UHFFFAOYSA-N 1 0 376.464 2.292 40 0 GEABRO CNc1nc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000072380056 205340057 /nfs/dbraw/zinc/34/00/57/205340057.db2.gz DMIMIYBQJJDFKT-QGZVFWFLSA-N 1 0 380.496 2.198 40 0 GEABRO COc1cccc(C(=O)N2CC[C@H](c3nn(CC[NH+](C)C)c4nccnc34)C2)c1 ZINC000072391681 205342084 /nfs/dbraw/zinc/34/20/84/205342084.db2.gz QSGUYGJCSUCOIA-INIZCTEOSA-N 1 0 394.479 2.026 40 0 GEABRO Cc1ccc(C(=O)NCC[NH+](C)C)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224296810 206018210 /nfs/dbraw/zinc/01/82/10/206018210.db2.gz ZJSULCDPWOIXTQ-UHFFFAOYSA-N 1 0 375.494 2.112 40 0 GEABRO COc1cccc(N2C[C@@H](C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)c1 ZINC000225409095 206045548 /nfs/dbraw/zinc/04/55/48/206045548.db2.gz VCJAEHZANBYVDX-FUHIMQAGSA-N 1 0 385.508 2.429 40 0 GEABRO Cc1cccc(C[NH2+]C[C@H]2COCc3nc4cc(S(C)(=O)=O)ccc4n32)n1 ZINC000096112778 206117431 /nfs/dbraw/zinc/11/74/31/206117431.db2.gz FDTOZXWGZJCLTE-HNNXBMFYSA-N 1 0 386.477 2.004 40 0 biogenic,in-vitro GEABRO COc1ccc(C[NH2+]C[C@H]2COCc3nc4cc(NC(C)=O)ccc4n32)cn1 ZINC000096112769 206118102 /nfs/dbraw/zinc/11/81/02/206118102.db2.gz RJGHIFOUPDCSNH-INIZCTEOSA-N 1 0 381.436 2.259 40 0 biogenic,in-vitro GEABRO Cc1ccc2cc(C(=O)N3CCC[C@](O)(C[NH+]4CCN(C)CC4)CC3)[nH]c2c1 ZINC000257202703 206158293 /nfs/dbraw/zinc/15/82/93/206158293.db2.gz AMXXSGLBFBJOMI-JOCHJYFZSA-N 1 0 384.524 2.081 40 0 GEABRO CN(CCc1ccccn1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)c(Cl)c2)[C@@H]1O ZINC000257218089 206160929 /nfs/dbraw/zinc/16/09/29/206160929.db2.gz DBVUHUHPFBNKAZ-YRXWBPOGSA-N 1 0 379.863 2.257 40 0 GEABRO O=C(c1ncccc1O)N1CCC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257274923 206170765 /nfs/dbraw/zinc/17/07/65/206170765.db2.gz NNGDIFAVYRGTFL-QFIPXVFZSA-N 1 0 381.476 2.203 40 0 GEABRO Cn1c2ccccc2n(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@@H+]3C)c1=O ZINC000257279984 206170798 /nfs/dbraw/zinc/17/07/98/206170798.db2.gz OJACZCUVIYNTMR-XCRNZQRYSA-N 1 0 382.508 2.204 40 0 GEABRO COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)C4CCC4)CC[C@@H]3[N@@H+]2C)cc1 ZINC000306123193 206194685 /nfs/dbraw/zinc/19/46/85/206194685.db2.gz AGVPRIIBFSVRMK-IHPCNDPISA-N 1 0 385.508 2.033 40 0 GEABRO CC(C)[C@@H]([NH3+])C(=O)N1CCC2(CC1)CO[C@]1(C)CC[C@H](O)C(C)(C)O[C@H]1C2 ZINC000257327592 206179728 /nfs/dbraw/zinc/17/97/28/206179728.db2.gz XBZADSHUUUDSHR-MIALQEHNSA-N 1 0 382.545 2.076 40 0 GEABRO NC(=O)C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000257328572 206180320 /nfs/dbraw/zinc/18/03/20/206180320.db2.gz XGFVNUHIQLDROJ-FQEVSTJZSA-N 1 0 393.915 2.299 40 0 GEABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](CC1CC1)C[C@H]2c1cccnc1 ZINC000306140104 206205047 /nfs/dbraw/zinc/20/50/47/206205047.db2.gz UJYRJPOHWOIQRS-UNMCSNQZSA-N 1 0 378.476 2.084 40 0 GEABRO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccoc1)CCC2 ZINC000306141281 206207206 /nfs/dbraw/zinc/20/72/06/206207206.db2.gz VQMCQFAZNPUAIK-SIKLNZKXSA-N 1 0 395.507 2.314 40 0 GEABRO O=C(NCc1ccccc1)c1nnc2n1CC[C@@H]1C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000306127141 206197219 /nfs/dbraw/zinc/19/72/19/206197219.db2.gz FPJGOIKLVHSQPR-SJLPKXTDSA-N 1 0 377.448 2.420 40 0 GEABRO O=C(NCc1ccccc1)c1nnc2n1CC[C@H]1C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000306127140 206197823 /nfs/dbraw/zinc/19/78/23/206197823.db2.gz FPJGOIKLVHSQPR-FUHWJXTLSA-N 1 0 377.448 2.420 40 0 GEABRO O=C(NCC1CC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccccn2)CC1 ZINC000306130372 206198557 /nfs/dbraw/zinc/19/85/57/206198557.db2.gz JDXWKYAVXZRJGR-UHFFFAOYSA-N 1 0 380.496 2.042 40 0 GEABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@@H+](Cc4cccs4)C[C@@H]32)cc1 ZINC000306127662 206198714 /nfs/dbraw/zinc/19/87/14/206198714.db2.gz GEIMKSQTHXLAJW-FUHWJXTLSA-N 1 0 394.500 2.052 40 0 GEABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306134079 206203468 /nfs/dbraw/zinc/20/34/68/206203468.db2.gz NDCKPCVCHCONKN-CVEARBPZSA-N 1 0 392.438 2.369 40 0 GEABRO O=C(c1n[nH]c2c1CCCCC2)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019292384 221406215 /nfs/dbraw/zinc/40/62/15/221406215.db2.gz QCEKOZRAUHLMNF-CQSZACIVSA-N 1 0 380.496 2.134 40 0 GEABRO c1cc(N2CCOCC2)cn2nc(C3CC[NH+](CC4CCOCC4)CC3)nc12 ZINC000096038308 136183410 /nfs/dbraw/zinc/18/34/10/136183410.db2.gz PEAVCWCKMLRMCS-UHFFFAOYSA-N 1 0 385.512 2.172 40 0 GEABRO CN(C)C(=O)[C@]12C[N@H+](CCc3ccccc3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251151 136185724 /nfs/dbraw/zinc/18/57/24/136185724.db2.gz HOOXTPCEEZBKTR-DENIHFKCSA-N 1 0 379.508 2.078 40 0 GEABRO O[C@@H]1C[C@@](C[NH2+]Cc2cccnc2)(COc2ccc(C(F)(F)F)cn2)C[C@@H]1O ZINC000107430397 560044918 /nfs/dbraw/zinc/04/49/18/560044918.db2.gz FUIIMYBQZDDCPM-ALXJQNPVSA-N 1 0 397.397 2.166 40 0 biogenic,in-vitro GEABRO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4CC4CC4)n3)ccn2)CC1 ZINC000049155038 560084057 /nfs/dbraw/zinc/08/40/57/560084057.db2.gz QUBNUUBTWSWROE-SFHVURJKSA-N 1 0 396.495 2.347 40 0 biogenic,in-vitro GEABRO CCS(=O)(=O)N[C@@H]1CC2(CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc21 ZINC000096079053 570210032 /nfs/dbraw/zinc/21/00/32/570210032.db2.gz HNBFXJPBZPERAW-VQIMIIECSA-N 1 0 378.538 2.441 40 0 GEABRO Cc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329058320 570215545 /nfs/dbraw/zinc/21/55/45/570215545.db2.gz WCCBJYPUYZXIJT-UHFFFAOYSA-N 1 0 387.509 2.350 40 0 GEABRO C[NH+](C)CCN1CCOC[C@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096228820 570221317 /nfs/dbraw/zinc/22/13/17/570221317.db2.gz JHFIAZFBXUEKDN-JOCHJYFZSA-N 1 0 384.524 2.284 40 0 GEABRO COCC[N@@H+]1CCOC[C@]2(CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 ZINC000096228764 570221464 /nfs/dbraw/zinc/22/14/64/570221464.db2.gz PJSGEAZWLRROGE-JOCHJYFZSA-N 1 0 385.508 2.298 40 0 GEABRO CC(C)Nc1nc2c(cc1C(=O)NCC1CC1)CC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096260459 570225917 /nfs/dbraw/zinc/22/59/17/570225917.db2.gz FRKSCUKQTZBRHH-UHFFFAOYSA-N 1 0 396.539 2.376 40 0 GEABRO CCN1C(=O)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)C(C)C)CC2 ZINC000096262308 570226147 /nfs/dbraw/zinc/22/61/47/570226147.db2.gz FSFQZKQCDWIWJT-RBUKOAKNSA-N 1 0 384.524 2.009 40 0 GEABRO CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)Nc4ccncc4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096262427 570226243 /nfs/dbraw/zinc/22/62/43/570226243.db2.gz FUGOCLHQADIFGV-LAUBAEHRSA-N 1 0 385.512 2.126 40 0 GEABRO CC(C)N1CC[N@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)N3CCCC3)cn21 ZINC000096268081 570227445 /nfs/dbraw/zinc/22/74/45/570227445.db2.gz POJJGCZTEZYYIJ-LJQANCHMSA-N 1 0 396.539 2.442 40 0 GEABRO CCCNC(=O)c1ccc2nnc([C@H]3C[N@H+](CC4CC4)CCN3C(C)C)n2c1 ZINC000096268078 570227684 /nfs/dbraw/zinc/22/76/84/570227684.db2.gz WPWHBPIUFWCOST-GOSISDBHSA-N 1 0 384.528 2.346 40 0 GEABRO COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[NH+](C)C)c1 ZINC000585262191 570229674 /nfs/dbraw/zinc/22/96/74/570229674.db2.gz VTHMJVMBHBMQRD-ZRNYENFQSA-N 1 0 388.439 2.075 40 0 GEABRO CC(C)[N@H+](Cc1ccccc1)C[C@@]1(O)CN(C(=O)Cc2ccccc2)CC[C@@H]1O ZINC000585283041 570251476 /nfs/dbraw/zinc/25/14/76/570251476.db2.gz AVXQHGHZMJFXTE-UPVQGACJSA-N 1 0 396.531 2.464 40 0 GEABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CC2CCCCC2)C1 ZINC000585285804 570255126 /nfs/dbraw/zinc/25/51/26/570255126.db2.gz UDUHCMQWTWEBDI-AZUAARDMSA-N 1 0 380.916 2.448 40 0 GEABRO CCN1CC[C@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccco2)CC3)C1=O ZINC000097952885 570261616 /nfs/dbraw/zinc/26/16/16/570261616.db2.gz RZTFTYJYPIPRRY-QFIPXVFZSA-N 1 0 395.507 2.411 40 0 GEABRO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000020486513 570262481 /nfs/dbraw/zinc/26/24/81/570262481.db2.gz MEFNVHDOODUBNZ-MRXNPFEDSA-N 1 0 399.582 2.141 40 0 GEABRO O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000100207768 570264506 /nfs/dbraw/zinc/26/45/06/570264506.db2.gz NPVGNYPQZCUENW-IDVKNYFZSA-N 1 0 391.402 2.257 40 0 GEABRO Cc1nnc(C)n1N1CN=C2N[C@@H](c3ccccc3)n3c4ccccc4nc3N2C1 ZINC000020556118 570277720 /nfs/dbraw/zinc/27/77/20/570277720.db2.gz HXYGUPNUKFTLOS-LJQANCHMSA-N 1 0 399.462 2.124 40 0 GEABRO Cc1ccc(F)c(C[N@@H+]2C[C@H](C(=O)NCC3CCOCC3)[C@H]3OCC[C@H]32)c1 ZINC000108533564 570313060 /nfs/dbraw/zinc/31/30/60/570313060.db2.gz GGSAMWLMHBVDIS-DFQSSKMNSA-N 1 0 376.472 2.266 40 0 GEABRO C[C@H]1C[N@H+](CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCN1C ZINC000022874161 570332575 /nfs/dbraw/zinc/33/25/75/570332575.db2.gz IVGNNRSXOKVDQE-IBGZPJMESA-N 1 0 382.504 2.492 40 0 GEABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242538928 570341107 /nfs/dbraw/zinc/34/11/07/570341107.db2.gz JIFCIRQKSVAIOQ-NLWGTHIKSA-N 1 0 389.473 2.143 40 0 GEABRO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000034857839 570341902 /nfs/dbraw/zinc/34/19/02/570341902.db2.gz ZXZVNLHYBSEJJL-FZONSQQESA-N 1 0 387.439 2.426 40 0 GEABRO O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(C[NH+](C3CCCC3)C2)C1 ZINC000604381013 570352416 /nfs/dbraw/zinc/35/24/16/570352416.db2.gz BJUVOFIQRBGNLE-LJQANCHMSA-N 1 0 389.927 2.494 40 0 biogenic,in-vitro GEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382072 570353196 /nfs/dbraw/zinc/35/31/96/570353196.db2.gz CEBZWGVYNHFRPH-XNFNUYLZSA-N 1 0 389.446 2.322 40 0 biogenic,in-vitro GEABRO C[C@@H]1CN(C2CC[NH+](Cc3cn(CC(N)=O)c4ccccc34)CC2)C[C@H](C)O1 ZINC000012363746 570646039 /nfs/dbraw/zinc/64/60/39/570646039.db2.gz WSEUETHMVHJQFV-CALCHBBNSA-N 1 0 384.524 2.200 40 0 GEABRO C[C@@H](C(=O)NCCC[NH+]1CCCC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000013612216 570762359 /nfs/dbraw/zinc/76/23/59/570762359.db2.gz UXQRICWLVGYVQT-HNNXBMFYSA-N 1 0 387.505 2.339 40 0 GEABRO C[C@H](C(=O)NCCC[NH+]1CCCC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000013612212 570762495 /nfs/dbraw/zinc/76/24/95/570762495.db2.gz UXQRICWLVGYVQT-OAHLLOKOSA-N 1 0 387.505 2.339 40 0 GEABRO C[NH+](C)CCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000013669504 570770323 /nfs/dbraw/zinc/77/03/23/570770323.db2.gz KVFREQPKCAUYBN-UHFFFAOYSA-N 1 0 393.484 2.089 40 0 GEABRO CC[C@@H](C(=O)NCC[NH+]1CCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716852 570779062 /nfs/dbraw/zinc/77/90/62/570779062.db2.gz SSEDGQVCINVOFJ-IBGZPJMESA-N 1 0 395.569 2.450 40 0 GEABRO C[C@@H]1CCC[N@H+](CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000257313471 570907401 /nfs/dbraw/zinc/90/74/01/570907401.db2.gz USPWHYGACXACMI-FGTMMUONSA-N 1 0 386.540 2.406 40 0 GEABRO CC(C)C[C@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 ZINC000019446823 570925843 /nfs/dbraw/zinc/92/58/43/570925843.db2.gz WXHLEJHCXOGUNW-RTBURBONSA-N 1 0 376.549 2.500 40 0 GEABRO Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC000585104991 570933976 /nfs/dbraw/zinc/93/39/76/570933976.db2.gz XKRKDNOXSHJNGH-FQEVSTJZSA-N 1 0 388.468 2.147 40 0 GEABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccsc2)CC1 ZINC000585106321 570936340 /nfs/dbraw/zinc/93/63/40/570936340.db2.gz TUTRJDWLGMNCLF-SJORKVTESA-N 1 0 375.538 2.130 40 0 GEABRO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)COc2ccccc2)CC1 ZINC000585106234 570936403 /nfs/dbraw/zinc/93/64/03/570936403.db2.gz XYGPQZZDCDQAEQ-UXHICEINSA-N 1 0 399.535 2.151 40 0 GEABRO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000585109707 570938192 /nfs/dbraw/zinc/93/81/92/570938192.db2.gz JPCJMILJYWSMTK-JAXLGGSGSA-N 1 0 381.476 2.131 40 0 GEABRO Cc1cc(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccnn4C)[C@H]3C2)n(C)n1 ZINC000585109752 570938302 /nfs/dbraw/zinc/93/83/02/570938302.db2.gz PIAQUCXMOVKTCO-IRFCIJBXSA-N 1 0 390.491 2.162 40 0 GEABRO C[C@@H](Oc1ccccc1F)C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000019080382 570955673 /nfs/dbraw/zinc/95/56/73/570955673.db2.gz JYXFNDOLIAPWJM-CABCVRRESA-N 1 0 397.454 2.231 40 0 GEABRO C[C@@H](C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1)n1cnc2ccccc21 ZINC000019079412 570955817 /nfs/dbraw/zinc/95/58/17/570955817.db2.gz BNZKZEKZRZPNDC-JKSUJKDBSA-N 1 0 390.491 2.439 40 0 GEABRO COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019078542 570955881 /nfs/dbraw/zinc/95/58/81/570955881.db2.gz TYDNBXPDQHVYBG-JKSUJKDBSA-N 1 0 396.491 2.304 40 0 GEABRO Cc1ccc([C@H](C)C(=O)N2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019135638 570958553 /nfs/dbraw/zinc/95/85/53/570958553.db2.gz NTBHMMUIPCLTKG-DOTOQJQBSA-N 1 0 378.480 2.213 40 0 GEABRO COc1cc(C)ccc1C[N@@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2CC1 ZINC000019134123 570958564 /nfs/dbraw/zinc/95/85/64/570958564.db2.gz FEEMCMHKNXNXAU-UHFFFAOYSA-N 1 0 377.448 2.145 40 0 GEABRO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101341867 570965225 /nfs/dbraw/zinc/96/52/25/570965225.db2.gz ZXZVNLHYBSEJJL-ZQAYVECASA-N 1 0 387.439 2.426 40 0 GEABRO Cc1nnnn1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019288400 570970637 /nfs/dbraw/zinc/97/06/37/570970637.db2.gz ZIBLPFQJRWYJCB-ZVDOUQERSA-N 1 0 382.512 2.241 40 0 GEABRO O[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2OCCN2CCOCC2)C1 ZINC000019369784 570980559 /nfs/dbraw/zinc/98/05/59/570980559.db2.gz VJKYPBBVABWIPZ-HSZRJFAPSA-N 1 0 382.504 2.491 40 0 GEABRO CCOc1ccc(CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019533034 570999289 /nfs/dbraw/zinc/99/92/89/570999289.db2.gz ZCDWHXYGFSFDHP-QGZVFWFLSA-N 1 0 380.492 2.470 40 0 GEABRO COc1ccc(OC)c(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)c1 ZINC000019551364 571000874 /nfs/dbraw/zinc/00/08/74/571000874.db2.gz FXAVBSFKQCYSBL-LJQANCHMSA-N 1 0 396.491 2.436 40 0 GEABRO COc1ccc(OC)c(CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019551376 571000942 /nfs/dbraw/zinc/00/09/42/571000942.db2.gz MTVZEJPKXCFAES-SFHVURJKSA-N 1 0 382.464 2.046 40 0 GEABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)n1 ZINC000019572701 571010804 /nfs/dbraw/zinc/01/08/04/571010804.db2.gz RCOGPZSIJOSUMX-DLBZAZTESA-N 1 0 382.512 2.245 40 0 GEABRO COc1ccc(C(=O)N2CC[C@@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)cn1 ZINC000019583251 571014276 /nfs/dbraw/zinc/01/42/76/571014276.db2.gz DSQIKSVKHPURTD-MRXNPFEDSA-N 1 0 394.479 2.026 40 0 GEABRO COc1cccc(CC(=O)N2CCc3nc([C@H]4CCC[N@H+](C)C4)ncc3C2)c1 ZINC000019588605 571016602 /nfs/dbraw/zinc/01/66/02/571016602.db2.gz COHLWOLGBLMMMC-KRWDZBQOSA-N 1 0 380.492 2.422 40 0 GEABRO C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)Cn3cnc4ccccc43)ncc2C1 ZINC000019590527 571018194 /nfs/dbraw/zinc/01/81/94/571018194.db2.gz AUFIRBYQAOQJNG-LJQANCHMSA-N 1 0 376.464 2.178 40 0 GEABRO COc1ccccc1[C@@H](CNC(=O)c1cccn2nnnc12)[NH+]1CCCCC1 ZINC000019661815 571026225 /nfs/dbraw/zinc/02/62/25/571026225.db2.gz VHMXRRSNZQCUFJ-QGZVFWFLSA-N 1 0 380.452 2.090 40 0 GEABRO O=C(c1cc(C2CCCCC2)no1)N1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709226 571033676 /nfs/dbraw/zinc/03/36/76/571033676.db2.gz CGZGFRAUDRTPSL-MRXNPFEDSA-N 1 0 398.511 2.479 40 0 GEABRO C[N@@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc4ccc(F)cc4[nH]2)CC3)C1 ZINC000019709245 571033780 /nfs/dbraw/zinc/03/37/80/571033780.db2.gz DJAPZUFKKZVBPL-HNNXBMFYSA-N 1 0 396.470 2.406 40 0 GEABRO Cc1cc(S(=O)(=O)N(C)Cc2cc(C3CC[NH2+]CC3)nn2C)ccc1F ZINC000019710200 571034069 /nfs/dbraw/zinc/03/40/69/571034069.db2.gz DLBHNFQQWABTLW-UHFFFAOYSA-N 1 0 380.489 2.155 40 0 GEABRO Cc1cccc(C)c1OCC(=O)N1CCn2c(nnc2[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000019710960 571034765 /nfs/dbraw/zinc/03/47/65/571034765.db2.gz JGLRLVFYJXXFMS-QGZVFWFLSA-N 1 0 383.496 2.125 40 0 GEABRO Cc1ccccc1OCCC(=O)N1CCn2c(nnc2C2CC[NH+](C)CC2)C1 ZINC000019711278 571035110 /nfs/dbraw/zinc/03/51/10/571035110.db2.gz KXBFYDUFRMZIKA-UHFFFAOYSA-N 1 0 383.496 2.207 40 0 GEABRO CCOCc1ccc(C(=O)N2CCn3c(nnc3C3CC[NH+](C)CC3)C2)cc1 ZINC000019711257 571035144 /nfs/dbraw/zinc/03/51/44/571035144.db2.gz HWWSZNCXVOWEAA-UHFFFAOYSA-N 1 0 383.496 2.280 40 0 GEABRO C[NH+](C)CCCNc1nc(NCc2ccccc2F)cc(-c2ccccn2)n1 ZINC000328955901 571046793 /nfs/dbraw/zinc/04/67/93/571046793.db2.gz ADNQLOAQSIYVFU-UHFFFAOYSA-N 1 0 380.471 2.497 40 0 GEABRO C[NH+](C)CCCNc1nc(NCc2ccc(F)cc2)cc(-c2ccccn2)n1 ZINC000328963485 571047257 /nfs/dbraw/zinc/04/72/57/571047257.db2.gz BOXSUCJKZGSKEE-UHFFFAOYSA-N 1 0 380.471 2.497 40 0 GEABRO CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2ccco2)CC3)C1=O ZINC000096036564 571096370 /nfs/dbraw/zinc/09/63/70/571096370.db2.gz WYJKUFBYJWBYCB-NRFANRHFSA-N 1 0 388.512 2.098 40 0 GEABRO C=Cn1cc(C[NH+]2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)n1 ZINC000012222877 204385284 /nfs/dbraw/zinc/38/52/84/204385284.db2.gz HKUFWDGZFWDQAR-IBGZPJMESA-N 1 0 387.509 2.234 40 0 GEABRO Cc1ccc(C)c(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccccc2)c1 ZINC000013646574 204500560 /nfs/dbraw/zinc/50/05/60/204500560.db2.gz UDINUNYFRCHQDY-UHFFFAOYSA-N 1 0 389.521 2.177 40 0 GEABRO CCOc1ccccc1C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019520157 204648593 /nfs/dbraw/zinc/64/85/93/204648593.db2.gz WNAMYMVQSARGCK-OAHLLOKOSA-N 1 0 379.464 2.337 40 0 GEABRO COc1cccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019079370 204623653 /nfs/dbraw/zinc/62/36/53/204623653.db2.gz RWVPWIRNQIQPKH-JKSUJKDBSA-N 1 0 396.491 2.304 40 0 GEABRO COc1ccc(C)cc1CC(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019133138 204627730 /nfs/dbraw/zinc/62/77/30/204627730.db2.gz ZKGBJCCIDWXWDH-MRXNPFEDSA-N 1 0 393.491 2.184 40 0 GEABRO Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)c(C)c1C ZINC000019556186 204653993 /nfs/dbraw/zinc/65/39/93/204653993.db2.gz VVMQTVLLXWFMFN-GUYCJALGSA-N 1 0 382.512 2.211 40 0 GEABRO COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@@H]1c1ncc3c(n1)CC[NH2+]C3)CO2 ZINC000019562395 204655793 /nfs/dbraw/zinc/65/57/93/204655793.db2.gz GRRVYSNDKIYGHN-DNVCBOLYSA-N 1 0 394.475 2.046 40 0 GEABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccc3c(c2)OCCO3)C1 ZINC000036741282 205020952 /nfs/dbraw/zinc/02/09/52/205020952.db2.gz KXJZTRDAMYIGTO-PGRDOPGGSA-N 1 0 385.460 2.483 40 0 GEABRO Cc1noc(C)c1C(=O)N1CCC([C@@H]2CCCC[N@H+]2CC(=O)N(C)C)CC1 ZINC000072354282 205331782 /nfs/dbraw/zinc/33/17/82/205331782.db2.gz CCIAWMPSIBDUAC-KRWDZBQOSA-N 1 0 376.501 2.086 40 0 GEABRO Cc1ccccc1OCCCC(=O)N1CCc2nnc([C@@H]3CCC[NH2+]C3)n2CC1 ZINC000072370904 205335265 /nfs/dbraw/zinc/33/52/65/205335265.db2.gz YMVDIRZAVIBXDU-GOSISDBHSA-N 1 0 397.523 2.297 40 0 GEABRO CC[C@H](Oc1ccccc1OC)C(=O)N1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1 ZINC000072390958 205341571 /nfs/dbraw/zinc/34/15/71/205341571.db2.gz SDALCUBXOWXWST-YJBOKZPZSA-N 1 0 396.491 2.304 40 0 GEABRO Cc1ccccc1N(CCCC(=O)NCCC[NH+]1CCCC1)S(C)(=O)=O ZINC000223626940 206002436 /nfs/dbraw/zinc/00/24/36/206002436.db2.gz PXUBMIHERUQCOR-UHFFFAOYSA-N 1 0 381.542 2.143 40 0 GEABRO CN(c1cccc(NC(=S)NCCC[NH+]2CCCCC2)c1)S(C)(=O)=O ZINC000225410142 206045769 /nfs/dbraw/zinc/04/57/69/206045769.db2.gz KQNLMSDQCQWYFY-UHFFFAOYSA-N 1 0 384.571 2.245 40 0 GEABRO CCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(C)noc2C)CN(C)C(=O)C1 ZINC000096113430 206117405 /nfs/dbraw/zinc/11/74/05/206117405.db2.gz YAQOGCFUGRJWSK-IAGOWNOFSA-N 1 0 378.517 2.267 40 0 biogenic,in-vitro GEABRO COC(=O)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccc3c(c2)OCO3)COC1 ZINC000096112746 206118339 /nfs/dbraw/zinc/11/83/39/206118339.db2.gz HBMPNIPDKRQAKT-HNNXBMFYSA-N 1 0 395.415 2.413 40 0 biogenic,in-vitro GEABRO [NH3+]Cc1cn(-c2ccccc2C(=O)N2CCN(Cc3ccccc3)CC2)cn1 ZINC000257212264 206160052 /nfs/dbraw/zinc/16/00/52/206160052.db2.gz CCOWGTNTCRYPOO-UHFFFAOYSA-N 1 0 375.476 2.289 40 0 GEABRO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@H+](Cc3ccncc3)C2)cc1 ZINC000306140505 206205939 /nfs/dbraw/zinc/20/59/39/206205939.db2.gz UVOAPGWTKOXWHR-JOCHJYFZSA-N 1 0 389.459 2.256 40 0 GEABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccccn3)CC1)COC2 ZINC000306145035 206206321 /nfs/dbraw/zinc/20/63/21/206206321.db2.gz ZVVJHOZKJDKIBJ-INIZCTEOSA-N 1 0 398.511 2.014 40 0 GEABRO C[C@@H]1CN(c2ncc3c(n2)[C@]2(CC[N@H+](Cc4ccncc4)C2)COC3)C[C@@H](C)O1 ZINC000306128655 206198490 /nfs/dbraw/zinc/19/84/90/206198490.db2.gz HHMZNBZDQLMLNQ-YVHKJVDXSA-N 1 0 395.507 2.159 40 0 GEABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@@H+](Cc4cccs4)C[C@@H]32)cc1 ZINC000306127663 206199196 /nfs/dbraw/zinc/19/91/96/206199196.db2.gz GEIMKSQTHXLAJW-SJLPKXTDSA-N 1 0 394.500 2.052 40 0 GEABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306130204 206200006 /nfs/dbraw/zinc/20/00/06/206200006.db2.gz IZDIFQLYPFJNKJ-CVEARBPZSA-N 1 0 392.438 2.369 40 0 GEABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3nccs3)C[C@@H]1C2 ZINC000306131294 206200331 /nfs/dbraw/zinc/20/03/31/206200331.db2.gz KAOKTEXIHBRCIE-KBPBESRZSA-N 1 0 380.477 2.291 40 0 GEABRO COCCN1CC[C@@]2(C[N@H+](Cc3cccnc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130769 206201529 /nfs/dbraw/zinc/20/15/29/206201529.db2.gz JOYBINWRWBOHDF-KNQAVFIVSA-N 1 0 397.523 2.324 40 0 GEABRO CN(C)C(=O)NC[C@H]1N(C(=O)c2ccsc2)CCCC12CC[NH+](C)CC2 ZINC000306136896 206203681 /nfs/dbraw/zinc/20/36/81/206203681.db2.gz QGFNNMSPYSJDCV-MRXNPFEDSA-N 1 0 378.542 2.336 40 0 GEABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000013670756 525505329 /nfs/dbraw/zinc/50/53/29/525505329.db2.gz FKXBGUWXDXAECO-UHFFFAOYSA-N 1 0 393.484 2.007 40 0 GEABRO CN1CCC([N@H+]2C[C@@H]3[C@H](C2)Oc2ccc(C(F)(F)F)cc2C(=O)N3C)CC1 ZINC000514288623 560034711 /nfs/dbraw/zinc/03/47/11/560034711.db2.gz HUGWGTJTYTVIJG-WBVHZDCISA-N 1 0 383.414 2.317 40 0 biogenic,in-vitro GEABRO CN1[C@@H]2CC[N@H+](CC(C)(C)C)[C@@H]2C(=O)NC[C@@H]1CCC(=O)Nc1ccccc1 ZINC000035442479 560079879 /nfs/dbraw/zinc/07/98/79/560079879.db2.gz XDURXFXJTKYICV-NSHGMRRFSA-N 1 0 386.540 2.325 40 0 biogenic,in-vitro GEABRO CO[C@]12C=C[C@@]3(C[C@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1C)[C@@H]2O5 ZINC000034275566 560087388 /nfs/dbraw/zinc/08/73/88/560087388.db2.gz ZGKVSNGVCSJFTE-LYUVEWKQSA-N 1 0 383.488 2.383 40 0 biogenic,in-vitro GEABRO C[NH+]1CCN(CCNc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)CC1 ZINC000328989103 570210913 /nfs/dbraw/zinc/21/09/13/570210913.db2.gz IIWPTUBGFFKFBC-UHFFFAOYSA-N 1 0 394.567 2.391 40 0 GEABRO C[NH+](C)CCCNc1nc(NCc2cccc(F)c2)cc(-c2cccnc2)n1 ZINC000329047657 570214760 /nfs/dbraw/zinc/21/47/60/570214760.db2.gz UGAGFRJMLKQPGR-UHFFFAOYSA-N 1 0 380.471 2.497 40 0 GEABRO COc1ccccc1Nc1cc(-c2cccnc2)nc(NCCC[NH+](C)C)n1 ZINC000329061248 570215615 /nfs/dbraw/zinc/21/56/15/570215615.db2.gz WPOUIEWVEZNILO-UHFFFAOYSA-N 1 0 378.480 2.498 40 0 GEABRO CN(C)C(=O)C[NH+]1CCC2(CC1)CN(C(=O)c1cccn1C)Cc1ccccc12 ZINC000096242431 570222908 /nfs/dbraw/zinc/22/29/08/570222908.db2.gz PDKPIGWRNGGOES-UHFFFAOYSA-N 1 0 394.519 2.103 40 0 GEABRO CN1CC2(CC[NH+](Cc3ccccn3)CC2)COc2ccccc2S1(=O)=O ZINC000096263475 570226558 /nfs/dbraw/zinc/22/65/58/570226558.db2.gz QFNVTCDSUFUMGH-UHFFFAOYSA-N 1 0 387.505 2.377 40 0 GEABRO Cc1cnc(CNC(=O)c2ccc3ccc(N4CCC([NH+](C)C)CC4)n3c2)cn1 ZINC000096264105 570226993 /nfs/dbraw/zinc/22/69/93/570226993.db2.gz RXZUZKOQWWTXRN-UHFFFAOYSA-N 1 0 392.507 2.498 40 0 GEABRO COCC[N@@H+]1CC[C@H](c2nnc3ccc(C(=O)Nc4cccc(OC)c4)cn32)C1 ZINC000096267504 570227636 /nfs/dbraw/zinc/22/76/36/570227636.db2.gz RWLPDHFERABJMO-HNNXBMFYSA-N 1 0 395.463 2.426 40 0 GEABRO COc1cc2c(cc1C[N@@H+]1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1Cc1ccccc1)CCCC2 ZINC000585294519 570263972 /nfs/dbraw/zinc/26/39/72/570263972.db2.gz HOPHYCPIALIFSJ-SGKWCMOWSA-N 1 0 397.515 2.084 40 0 GEABRO O=C(c1ccc2nnnn2c1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199247 570447542 /nfs/dbraw/zinc/44/75/42/570447542.db2.gz XNUWCFZIUXMXTG-DMUMMCEESA-N 1 0 378.480 2.160 40 0 GEABRO O=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1)[C@@H]1CCC[NH2+]1 ZINC000035191208 570550674 /nfs/dbraw/zinc/55/06/74/570550674.db2.gz WJWZGSZGTDQYAC-HNNXBMFYSA-N 1 0 385.295 2.464 40 0 GEABRO O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000015021689 570716154 /nfs/dbraw/zinc/71/61/54/570716154.db2.gz NPVGNYPQZCUENW-QLDGJZPUSA-N 1 0 391.402 2.257 40 0 GEABRO CC(C)c1ccc(N(CC(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)cc1 ZINC000013668701 570769897 /nfs/dbraw/zinc/76/98/97/570769897.db2.gz WUGFCSVVVBLJKZ-UHFFFAOYSA-N 1 0 381.542 2.178 40 0 GEABRO Cc1ccc(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013669294 570770099 /nfs/dbraw/zinc/77/00/99/570770099.db2.gz LLLFFKZVUNTERJ-UHFFFAOYSA-N 1 0 393.484 2.007 40 0 GEABRO Cc1ccccc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000013669906 570770349 /nfs/dbraw/zinc/77/03/49/570770349.db2.gz FAKNDHMEAAYZGV-UHFFFAOYSA-N 1 0 381.542 2.143 40 0 GEABRO CC[C@H](C(=O)NCC[NH+]1CCCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711800 570777886 /nfs/dbraw/zinc/77/78/86/570777886.db2.gz JJDGDTGUHIIMKN-GOSISDBHSA-N 1 0 381.542 2.223 40 0 GEABRO CNc1cc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759860 570887656 /nfs/dbraw/zinc/88/76/56/570887656.db2.gz YJEBPMQEIJSNMD-MRXNPFEDSA-N 1 0 393.488 2.211 40 0 GEABRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000101969116 570901932 /nfs/dbraw/zinc/90/19/32/570901932.db2.gz CFOZSUCGWGPVGW-KDURUIRLSA-N 1 0 382.512 2.260 40 0 GEABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)c2ccc(OC)c(OC)c2)CC1 ZINC000019527981 570928291 /nfs/dbraw/zinc/92/82/91/570928291.db2.gz RWPDRRSKJTUEDJ-GOSISDBHSA-N 1 0 388.516 2.172 40 0 GEABRO COCCn1nnnc1[C@H](c1ccccc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000019594096 570929215 /nfs/dbraw/zinc/92/92/15/570929215.db2.gz IPZXZLRPZLHPPH-IBGZPJMESA-N 1 0 388.491 2.108 40 0 GEABRO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@H](C[NH+]4CCC(O)CC4)C3)CC2)c1 ZINC000585104052 570930133 /nfs/dbraw/zinc/93/01/33/570930133.db2.gz KXDXQOOOROBXCD-SFHVURJKSA-N 1 0 388.508 2.169 40 0 GEABRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cccc2c1OCCC2 ZINC000660150301 570935235 /nfs/dbraw/zinc/93/52/35/570935235.db2.gz IBGVQESOGURAKM-KRWDZBQOSA-N 1 0 394.537 2.276 40 0 GEABRO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000585106143 570935933 /nfs/dbraw/zinc/93/59/33/570935933.db2.gz RIDHNCBSMWRZBC-MOPGFXCFSA-N 1 0 387.499 2.063 40 0 GEABRO Cc1nc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]23)cs1 ZINC000585106034 570935973 /nfs/dbraw/zinc/93/59/73/570935973.db2.gz GJHPZNTXJMVWLH-CVEARBPZSA-N 1 0 390.553 2.150 40 0 GEABRO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CC4CCCC4)C[C@@H]23)o1 ZINC000585106280 570936242 /nfs/dbraw/zinc/93/62/42/570936242.db2.gz NDUIREKZHBJPFZ-MSOLQXFVSA-N 1 0 385.508 2.431 40 0 GEABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000017812380 570949106 /nfs/dbraw/zinc/94/91/06/570949106.db2.gz ITJISWPKJJXQSP-UHFFFAOYSA-N 1 0 379.526 2.077 40 0 GEABRO CC(=O)Nc1ccc(C(=O)N2CCc3nc(C4CC[NH2+]CC4)ncc3C2)cc1 ZINC000019022349 570955432 /nfs/dbraw/zinc/95/54/32/570955432.db2.gz VVKBZOYWAUZQKQ-UHFFFAOYSA-N 1 0 379.464 2.101 40 0 GEABRO COc1ccccc1O[C@H](C)C(=O)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019078554 570955765 /nfs/dbraw/zinc/95/57/65/570955765.db2.gz TYDNBXPDQHVYBG-CVEARBPZSA-N 1 0 396.491 2.304 40 0 GEABRO COc1cccc(O[C@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CC[NH2+]C4)C2)c1 ZINC000019078538 570955911 /nfs/dbraw/zinc/95/59/11/570955911.db2.gz XRIQTEXILICJDS-CVEARBPZSA-N 1 0 396.491 2.304 40 0 GEABRO COc1ccc(C)cc1CC(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019133081 570958300 /nfs/dbraw/zinc/95/83/00/570958300.db2.gz PHEAPUVRCHVVIZ-MRXNPFEDSA-N 1 0 380.492 2.388 40 0 GEABRO C[C@H]1CCC[C@@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022823140 570962308 /nfs/dbraw/zinc/96/23/08/570962308.db2.gz FOOABQKFWPGKMA-UHOSZYNNSA-N 1 0 376.497 2.099 40 0 GEABRO Cn1nc(-c2ccccc2F)cc1C[NH+]1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC000019288933 570971038 /nfs/dbraw/zinc/97/10/38/570971038.db2.gz BWWWCIQNSAEWOG-FQEVSTJZSA-N 1 0 386.471 2.486 40 0 GEABRO O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019345907 570977982 /nfs/dbraw/zinc/97/79/82/570977982.db2.gz WZAJYWJTDNOYMH-BFUOFWGJSA-N 1 0 398.894 2.485 40 0 GEABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450086 570984816 /nfs/dbraw/zinc/98/48/16/570984816.db2.gz KWXCQAVLMYYCAB-OALUTQOASA-N 1 0 394.523 2.212 40 0 GEABRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC3(CC[NH+](C)CC3)Oc3ccccc3C2=O)C1 ZINC000019462413 570988791 /nfs/dbraw/zinc/98/87/91/570988791.db2.gz GDSIMHXIRUECLL-QZTJIDSGSA-N 1 0 399.535 2.490 40 0 GEABRO CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1 ZINC000019499455 570992275 /nfs/dbraw/zinc/99/22/75/570992275.db2.gz ZYDGYYUXBNXNAL-KDOFPFPSSA-N 1 0 384.455 2.435 40 0 GEABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@@](O)(C[NH+]2CCOCC2)CC1 ZINC000585183664 571001067 /nfs/dbraw/zinc/00/10/67/571001067.db2.gz NXLKKZOUSMXPDP-NRFANRHFSA-N 1 0 389.471 2.305 40 0 GEABRO Cc1c(C[NH+]2CCC(c3cc(C(=O)NCc4ccccn4)on3)CC2)cnn1C ZINC000019553577 571002029 /nfs/dbraw/zinc/00/20/29/571002029.db2.gz MCRAUFOBPSLMIA-UHFFFAOYSA-N 1 0 394.479 2.421 40 0 GEABRO Cc1nn(C[C@H](C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c(C)c1C ZINC000019556844 571003394 /nfs/dbraw/zinc/00/33/94/571003394.db2.gz ZFZHFZZIPHPEBH-DJJJIMSYSA-N 1 0 382.512 2.244 40 0 GEABRO COc1ccc(CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cc1OC ZINC000019560461 571005393 /nfs/dbraw/zinc/00/53/93/571005393.db2.gz DWKISZXMWIJKJJ-QGZVFWFLSA-N 1 0 382.464 2.046 40 0 GEABRO COc1cccc2c1OC[C@@H](C(=O)N1CCC[C@@H]1c1ncc3c(n1)CC[NH2+]C3)C2 ZINC000019568293 571009242 /nfs/dbraw/zinc/00/92/42/571009242.db2.gz AJSHHVCXIFMHTI-MAUKXSAKSA-N 1 0 394.475 2.046 40 0 GEABRO COc1cccc2c1OC[C@H](C(=O)N1CCC[C@H]1c1ncc3c(n1)CC[NH2+]C3)C2 ZINC000019568296 571009375 /nfs/dbraw/zinc/00/93/75/571009375.db2.gz AJSHHVCXIFMHTI-QAPCUYQASA-N 1 0 394.475 2.046 40 0 GEABRO C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)c2n[nH]c4c2CCCC4)C3)C1 ZINC000019588618 571016301 /nfs/dbraw/zinc/01/63/01/571016301.db2.gz NAONGWGEZILHLZ-CQSZACIVSA-N 1 0 380.496 2.086 40 0 GEABRO COc1ccccc1CC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C)CC3)C1 ZINC000019590259 571017273 /nfs/dbraw/zinc/01/72/73/571017273.db2.gz JKPUAAAUSHZSLB-MRXNPFEDSA-N 1 0 396.491 2.127 40 0 GEABRO COc1ccc(OC)c(CC(=O)N2CC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c1 ZINC000019590608 571017797 /nfs/dbraw/zinc/01/77/97/571017797.db2.gz GIDZUVVKEKQLNY-HNNXBMFYSA-N 1 0 396.491 2.040 40 0 GEABRO C[NH2+]C1CCC2(CC1)CN(S(=O)(=O)N1CCCC1)Cc1ccccc1O2 ZINC000019592022 571019178 /nfs/dbraw/zinc/01/91/78/571019178.db2.gz HHEAWROGNFIFJU-UHFFFAOYSA-N 1 0 379.526 2.122 40 0 GEABRO CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCCN3C(=O)c3ccccn3)c2)CC1 ZINC000019698156 571030473 /nfs/dbraw/zinc/03/04/73/571030473.db2.gz GXNYQFNCUNXMAJ-OAQYLSRUSA-N 1 0 393.491 2.431 40 0 GEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CCN(C(=O)Cc1ccccc1)C2 ZINC000019707057 571032855 /nfs/dbraw/zinc/03/28/55/571032855.db2.gz VOLWLKCMNSTYPS-UHFFFAOYSA-N 1 0 379.508 2.455 40 0 GEABRO C[N@@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc4ccc(F)cc4[nH]2)C3)C1 ZINC000019710985 571034528 /nfs/dbraw/zinc/03/45/28/571034528.db2.gz AWLRTDAAXDHOCH-AWEZNQCLSA-N 1 0 382.443 2.364 40 0 GEABRO Cn1c(C(=O)N2CCn3c(nnc3[C@H]3CCC[N@H+](C)C3)C2)cc2cc(F)ccc21 ZINC000019710989 571034659 /nfs/dbraw/zinc/03/46/59/571034659.db2.gz SDMVNPSDIGFRKT-AWEZNQCLSA-N 1 0 396.470 2.374 40 0 GEABRO Cc1cccc(C)c1OCC(=O)N1CCC[C@@H]1c1nnc2n1CC[N@@H+](C)CC2 ZINC000019710655 571034831 /nfs/dbraw/zinc/03/48/31/571034831.db2.gz ZQWZRYDZLDOQJE-QGZVFWFLSA-N 1 0 383.496 2.125 40 0 GEABRO C[N@@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)Cc2c[nH]c4ccccc24)C3)C1 ZINC000019711093 571035008 /nfs/dbraw/zinc/03/50/08/571035008.db2.gz BCHFWQSQRHIJQB-HNNXBMFYSA-N 1 0 378.480 2.154 40 0 GEABRO 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/nfs/dbraw/zinc/33/84/44/205338444.db2.gz HTJXJRKKKHXCEF-SFHVURJKSA-N 1 0 383.496 2.337 40 0 GEABRO C[N@@H+]1CC[C@@H](c2nn(CCNC(=O)Cc3cccc(F)c3)c3ncccc23)C1 ZINC000072391593 205341557 /nfs/dbraw/zinc/34/15/57/205341557.db2.gz SKOUJGPTWBCBDO-MRXNPFEDSA-N 1 0 381.455 2.348 40 0 GEABRO CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000096036880 205517557 /nfs/dbraw/zinc/51/75/57/205517557.db2.gz RIICRWWOKKCORT-GOSISDBHSA-N 1 0 383.496 2.037 40 0 GEABRO CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000224906091 206030317 /nfs/dbraw/zinc/03/03/17/206030317.db2.gz CPUZGHHQPYZKJC-UHFFFAOYSA-N 1 0 399.582 2.021 40 0 GEABRO COC[C@H]1CCCN1Cc1nc(C2(O)CC[NH+](C3CCOCC3)CC2)cs1 ZINC000225423275 206047505 /nfs/dbraw/zinc/04/75/05/206047505.db2.gz PNODIHXEADPXFK-QGZVFWFLSA-N 1 0 395.569 2.216 40 0 biogenic,in-vitro GEABRO Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2cccc(OCC[NH+](C)C)c2)[C@H]1O ZINC000257287022 206173164 /nfs/dbraw/zinc/17/31/64/206173164.db2.gz PODNEKGFGLWCDZ-VAMGGRTRSA-N 1 0 386.496 2.016 40 0 GEABRO Cc1nc([C@@]2(C)CCC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)c2sccn12 ZINC000257246287 206166031 /nfs/dbraw/zinc/16/60/31/206166031.db2.gz ITLFBSKJBQEVAP-SFHVURJKSA-N 1 0 396.582 2.482 40 0 GEABRO Cc1cc(Nc2cc(C3CCN(C(=O)[C@H]4CCCC[NH2+]4)CC3)nc(C)n2)n[nH]1 ZINC000257273990 206170808 /nfs/dbraw/zinc/17/08/08/206170808.db2.gz NJBMLRYZZTTXMO-MRXNPFEDSA-N 1 0 383.500 2.408 40 0 GEABRO C[N@@H+]1CCc2ncnc(-c3ccccc3)c2C[C@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000306143328 206206215 /nfs/dbraw/zinc/20/62/15/206206215.db2.gz XYZHLJMGXQSIJE-ZWKOTPCHSA-N 1 0 380.492 2.085 40 0 GEABRO c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)ccn1 ZINC000306129787 206198250 /nfs/dbraw/zinc/19/82/50/206198250.db2.gz IMWPYWTZWBXSRV-GOSISDBHSA-N 1 0 378.480 2.341 40 0 GEABRO Cn1cncc1CNc1ncc2c(n1)[C@@]1(CC[N@H+](Cc3ccccc3)C1)COC2 ZINC000306127602 206198360 /nfs/dbraw/zinc/19/83/60/206198360.db2.gz GDGXREAHUOLWPQ-JOCHJYFZSA-N 1 0 390.491 2.496 40 0 GEABRO O=C1N(CC2CC2)CCO[C@@]12C[N@H+](Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306133499 206201762 /nfs/dbraw/zinc/20/17/62/206201762.db2.gz MNHIZMHJQVXFEA-RBBKRZOGSA-N 1 0 378.476 2.084 40 0 GEABRO CN1CCCc2cc(C(=O)N3CCCC[C@H]3c3nnc4n3CC[N@@H+](C)C4)ccc21 ZINC000072373986 136169201 /nfs/dbraw/zinc/16/92/01/136169201.db2.gz KNZBTZMGYYCEAJ-IBGZPJMESA-N 1 0 394.523 2.473 40 0 GEABRO COC(=O)c1cccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000223795199 136205946 /nfs/dbraw/zinc/20/59/46/136205946.db2.gz NPHAVBLXNXGXTM-UHFFFAOYSA-N 1 0 389.477 2.026 40 0 GEABRO O[C@@H]1[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccco1 ZINC000020463778 560092894 /nfs/dbraw/zinc/09/28/94/560092894.db2.gz GRWKDZMDBJLBDL-FWKCKQQBSA-N 1 0 398.503 2.177 40 0 biogenic,in-vitro GEABRO Cc1c(-c2cncn2CC[NH2+][C@H]2CCS(=O)(=O)C2)c(-c2ccccc2)nn1C ZINC000019719405 570210529 /nfs/dbraw/zinc/21/05/29/570210529.db2.gz JDRWXQBPNDFHPQ-KRWDZBQOSA-N 1 0 399.520 2.036 40 0 GEABRO C[C@@H]1CCCC[N@@H+]1CC(C)(C)NC(=O)Cn1cc(NC(=O)c2ccccn2)cn1 ZINC000019749805 570215158 /nfs/dbraw/zinc/21/51/58/570215158.db2.gz HZOAORAMYKXAIF-MRXNPFEDSA-N 1 0 398.511 2.300 40 0 GEABRO C[NH+](C)CCCNc1nc(NCc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000329065873 570215943 /nfs/dbraw/zinc/21/59/43/570215943.db2.gz XVNVVNLCBLBXKJ-UHFFFAOYSA-N 1 0 380.471 2.497 40 0 GEABRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCCCO)cc2)cc1 ZINC000585270494 570239208 /nfs/dbraw/zinc/23/92/08/570239208.db2.gz XVANBVKHJSRQGK-SFHVURJKSA-N 1 0 375.465 2.328 40 0 GEABRO O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(C[NH+](C3CCCCC3)C2)C1 ZINC000604381980 570353057 /nfs/dbraw/zinc/35/30/57/570353057.db2.gz XKWUETCGYCOFMW-GOSISDBHSA-N 1 0 387.499 2.369 40 0 biogenic,in-vitro GEABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000032127467 570509899 /nfs/dbraw/zinc/50/98/99/570509899.db2.gz CYMGSXIUFMVACB-UHFFFAOYSA-N 1 0 398.488 2.294 40 0 GEABRO CCc1oncc1C(=O)N1CC2(C1)CC[C@H](C[N@H+](C)Cc1cccnc1)CO2 ZINC000575405079 570521480 /nfs/dbraw/zinc/52/14/80/570521480.db2.gz RPTMYXSJJVMWFD-QGZVFWFLSA-N 1 0 384.480 2.385 40 0 GEABRO COc1ccc(S(=O)(=O)N2Cc3ccccc3O[C@H](C[NH+](C)C)C2)cc1 ZINC000012407684 570654484 /nfs/dbraw/zinc/65/44/84/570654484.db2.gz VERKTBMRAQXSPK-QGZVFWFLSA-N 1 0 376.478 2.209 40 0 GEABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H](Cn2nnc3c2nc(C)[nH]c3=O)C1 ZINC000012471228 570672794 /nfs/dbraw/zinc/67/27/94/570672794.db2.gz HSCKDIQGCMPHMF-HNNXBMFYSA-N 1 0 382.468 2.465 40 0 GEABRO Cc1cccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccccc2)c1 ZINC000013613490 570762957 /nfs/dbraw/zinc/76/29/57/570762957.db2.gz HFOIMFJSXZPQSK-UHFFFAOYSA-N 1 0 389.521 2.258 40 0 GEABRO Cc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1 ZINC000013674354 570771773 /nfs/dbraw/zinc/77/17/73/570771773.db2.gz PCZWZAFCEDVULF-SFHVURJKSA-N 1 0 395.569 2.388 40 0 GEABRO CC[C@H](C(=O)NCC[NH+]1CCCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715968 570779143 /nfs/dbraw/zinc/77/91/43/570779143.db2.gz XIGHYLITJSYASY-GOSISDBHSA-N 1 0 399.532 2.363 40 0 GEABRO CC(C)C[C@@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 ZINC000019446825 570925942 /nfs/dbraw/zinc/92/59/42/570925942.db2.gz WXHLEJHCXOGUNW-MOPGFXCFSA-N 1 0 376.549 2.500 40 0 GEABRO CC[NH+]1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2ccc(Cl)cc2)CC1 ZINC000019528001 570928303 /nfs/dbraw/zinc/92/83/03/570928303.db2.gz ITLPFWRJZHKEOH-QZTJIDSGSA-N 1 0 390.919 2.232 40 0 GEABRO COCCn1nnnc1[C@@H](c1ccccc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000019594097 570929276 /nfs/dbraw/zinc/92/92/76/570929276.db2.gz IPZXZLRPZLHPPH-LJQANCHMSA-N 1 0 388.491 2.108 40 0 GEABRO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H]4CO)C3)CC2)c1 ZINC000585103154 570931503 /nfs/dbraw/zinc/93/15/03/570931503.db2.gz DVKMXFIZTQJWAG-ROUUACIJSA-N 1 0 388.508 2.169 40 0 GEABRO C[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ccc(O)cc2)CC3)C[C@H]1O ZINC000585103040 570931528 /nfs/dbraw/zinc/93/15/28/570931528.db2.gz BMAOFYMFNORTQS-NSISKUIASA-N 1 0 388.508 2.106 40 0 GEABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2csc(C)n2)CC1 ZINC000585106028 570935980 /nfs/dbraw/zinc/93/59/80/570935980.db2.gz FVGWODVRTVDNIF-IMJJTQAJSA-N 1 0 390.553 2.150 40 0 GEABRO CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000019016763 570953951 /nfs/dbraw/zinc/95/39/51/570953951.db2.gz CJGDZBVJSAFAJE-NJDAHSKKSA-N 1 0 387.499 2.473 40 0 GEABRO COc1cccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019079379 570955783 /nfs/dbraw/zinc/95/57/83/570955783.db2.gz RWVPWIRNQIQPKH-HOTGVXAUSA-N 1 0 396.491 2.304 40 0 GEABRO C[C@@H](NC(=O)C(F)F)C(=O)N1Cc2ccccc2O[C@]2(CCC[N@H+](C)CC2)C1 ZINC000019079586 570955870 /nfs/dbraw/zinc/95/58/70/570955870.db2.gz UIEVNTTXENTBAS-VLIAUNLRSA-N 1 0 395.450 2.032 40 0 GEABRO COc1cccc(O[C@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[NH2+]C4)C2)c1 ZINC000019078533 570955876 /nfs/dbraw/zinc/95/58/76/570955876.db2.gz XRIQTEXILICJDS-HZPDHXFCSA-N 1 0 396.491 2.304 40 0 GEABRO COc1ccccc1O[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019079398 570955897 /nfs/dbraw/zinc/95/58/97/570955897.db2.gz BRRDNFFIWICLGJ-JKSUJKDBSA-N 1 0 396.491 2.304 40 0 GEABRO Cc1ccc(S(=O)(=O)N2CCc3nc([C@@H]4CC[N@@H+](C)C4)ncc3C2)cc1F ZINC000019214530 570961311 /nfs/dbraw/zinc/96/13/11/570961311.db2.gz NHKLYSXVWBMJGA-CQSZACIVSA-N 1 0 390.484 2.090 40 0 GEABRO Cc1ccn(C[C@@H](C)C(=O)N2CCc3nc(C4CC[NH+](C)CC4)ncc3C2)n1 ZINC000019237995 570967528 /nfs/dbraw/zinc/96/75/28/570967528.db2.gz LBYOUHWFFBIUEP-OAHLLOKOSA-N 1 0 382.512 2.012 40 0 GEABRO O=C([C@@H]1CC(=O)OC12CCCCC2)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019292279 570972719 /nfs/dbraw/zinc/97/27/19/570972719.db2.gz GZWKFLDZUDQEDH-WBVHZDCISA-N 1 0 398.507 2.094 40 0 GEABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)c2nccnc21 ZINC000019293365 570973299 /nfs/dbraw/zinc/97/32/99/570973299.db2.gz YIYZHCAJRVKNRZ-HNNXBMFYSA-N 1 0 398.898 2.387 40 0 GEABRO O[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000019369766 570980583 /nfs/dbraw/zinc/98/05/83/570980583.db2.gz SHCQSNZJMYWVJL-HSZRJFAPSA-N 1 0 382.504 2.491 40 0 GEABRO O=C(CCN1CCc2ccccc21)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019375428 570981759 /nfs/dbraw/zinc/98/17/59/570981759.db2.gz FCULKRMPSYANPZ-SFHVURJKSA-N 1 0 391.519 2.281 40 0 GEABRO C[C@H]1C[C@H](C)CN(C(=O)CN2CC3(CC[NH+](C)CC3)Oc3ccccc3C2=O)C1 ZINC000019462418 570989106 /nfs/dbraw/zinc/98/91/06/570989106.db2.gz GDSIMHXIRUECLL-ROUUACIJSA-N 1 0 399.535 2.490 40 0 GEABRO CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4cccnc4)C3)[nH]c(=O)c2C1 ZINC000019501597 570993141 /nfs/dbraw/zinc/99/31/41/570993141.db2.gz HLZJFZGFGOBLDF-KRWDZBQOSA-N 1 0 395.507 2.229 40 0 GEABRO CCOc1ncccc1C(=O)NCCn1nc([C@H]2CC[N@H+](C)C2)c2cccnc21 ZINC000019531550 570998569 /nfs/dbraw/zinc/99/85/69/570998569.db2.gz TWDSXCVFFLDKFU-HNNXBMFYSA-N 1 0 394.479 2.074 40 0 GEABRO CCOc1ccc(CC(=O)N2CCc3nc(C4CC[NH2+]CC4)ncc3C2)cc1 ZINC000019533042 570999214 /nfs/dbraw/zinc/99/92/14/570999214.db2.gz DASPXGUPSGDONR-UHFFFAOYSA-N 1 0 380.492 2.470 40 0 GEABRO COc1ccc(CCC(=O)N2CCC[C@H](c3ncc4c(n3)CC[NH2+]C4)C2)cc1 ZINC000019554525 571002509 /nfs/dbraw/zinc/00/25/09/571002509.db2.gz DVVNHRLVUZIVEX-KRWDZBQOSA-N 1 0 380.492 2.470 40 0 GEABRO COc1ccc(CCC(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3cccnc32)cc1 ZINC000019554621 571002992 /nfs/dbraw/zinc/00/29/92/571002992.db2.gz HNBVGYDIIXHXEP-QGZVFWFLSA-N 1 0 393.491 2.266 40 0 GEABRO COc1ccc(CCC(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3cccnc32)cc1 ZINC000019554625 571003086 /nfs/dbraw/zinc/00/30/86/571003086.db2.gz HNBVGYDIIXHXEP-KRWDZBQOSA-N 1 0 393.491 2.266 40 0 GEABRO Cc1nn(C[C@H](C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c(C)c1C ZINC000019556850 571003825 /nfs/dbraw/zinc/00/38/25/571003825.db2.gz ZFZHFZZIPHPEBH-ORAYPTAESA-N 1 0 382.512 2.244 40 0 GEABRO COc1ccc(CC(=O)N2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1OC ZINC000019560524 571005505 /nfs/dbraw/zinc/00/55/05/571005505.db2.gz WCQNJKPUXZSCMW-QGZVFWFLSA-N 1 0 382.464 2.046 40 0 GEABRO COc1ccccc1OCC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019571420 571010170 /nfs/dbraw/zinc/01/01/70/571010170.db2.gz HQEZULAITVWXJK-QGZVFWFLSA-N 1 0 382.464 2.264 40 0 GEABRO Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019571540 571010184 /nfs/dbraw/zinc/01/01/84/571010184.db2.gz XHGGGUSKOOYVRI-KRWDZBQOSA-N 1 0 390.484 2.486 40 0 GEABRO COc1ccc(CCC(=O)N2CCc3nc([C@@H]4CC[N@H+](C)C4)ncc3C2)cc1 ZINC000019587939 571015854 /nfs/dbraw/zinc/01/58/54/571015854.db2.gz AEUYSVVQLUTOCH-QGZVFWFLSA-N 1 0 380.492 2.422 40 0 GEABRO COc1ccc(CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1OC ZINC000019590520 571017966 /nfs/dbraw/zinc/01/79/66/571017966.db2.gz RGSUXCQZJDERRO-GOSISDBHSA-N 1 0 396.491 2.388 40 0 GEABRO COc1cccc(CC(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c1 ZINC000019590683 571018735 /nfs/dbraw/zinc/01/87/35/571018735.db2.gz MPLYDKWZGWVZOR-UHFFFAOYSA-N 1 0 380.492 2.422 40 0 GEABRO CN(CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000019655236 571023342 /nfs/dbraw/zinc/02/33/42/571023342.db2.gz QDFXADAIDMQFMK-IBGZPJMESA-N 1 0 393.553 2.120 40 0 GEABRO O=C(c1cc(-c2ccccc2F)no1)N1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1 ZINC000019706310 571032245 /nfs/dbraw/zinc/03/22/45/571032245.db2.gz FZJLMXHTKMYAGT-HNNXBMFYSA-N 1 0 396.426 2.195 40 0 GEABRO COc1ccccc1CCC(=O)N1CCc2nnc([C@@H]3CCC[N@H+](C)C3)n2CC1 ZINC000019709476 571033974 /nfs/dbraw/zinc/03/39/74/571033974.db2.gz QXJGVEHNRHCOMY-GOSISDBHSA-N 1 0 397.523 2.113 40 0 GEABRO O=C(c1ccc(OCCN2CCCC2=O)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000019716657 571038709 /nfs/dbraw/zinc/03/87/09/571038709.db2.gz OQEGYECVTJSKAD-UHFFFAOYSA-N 1 0 385.508 2.388 40 0 GEABRO C[NH+](C)CCCNc1nc(NCc2cccc(F)c2)cc(-c2ccccn2)n1 ZINC000328964082 571047697 /nfs/dbraw/zinc/04/76/97/571047697.db2.gz BSTAIUWYFYUZRE-UHFFFAOYSA-N 1 0 380.471 2.497 40 0 GEABRO CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1ccoc1)CC2 ZINC000096036933 571096526 /nfs/dbraw/zinc/09/65/26/571096526.db2.gz MBULPXYGIUHZFB-UHFFFAOYSA-N 1 0 394.479 2.230 40 0 GEABRO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC(=O)N(C)C)C2)cc1 ZINC000096056960 571098568 /nfs/dbraw/zinc/09/85/68/571098568.db2.gz YXFARMYOVNERCI-TZIWHRDSSA-N 1 0 376.497 2.171 40 0 GEABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@]2([NH3+])CO)cc1 ZINC000252514807 645566238 /nfs/dbraw/zinc/56/62/38/645566238.db2.gz DYJSXYNGAQAEKV-GVDBMIGSSA-N 1 0 396.306 2.387 40 0 GEABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)CC)[C@H]1c1ccc(Br)cc1 ZINC000242400243 532518490 /nfs/dbraw/zinc/51/84/90/532518490.db2.gz ARWMFBNFXPVULY-RBSFLKMASA-N 1 0 376.316 2.331 40 0 GEABRO C[NH+](C)CCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccnc2)n1 ZINC000329001656 203769665 /nfs/dbraw/zinc/76/96/65/203769665.db2.gz KFPFDRVCYRORBS-UHFFFAOYSA-N 1 0 384.434 2.246 40 0 GEABRO [NH3+]CC(=O)Nc1cc2c(cc1C(=O)c1ccccc1Br)OCCO2 ZINC000005679287 204146403 /nfs/dbraw/zinc/14/64/03/204146403.db2.gz DIKQOFRYATYXDV-UHFFFAOYSA-N 1 0 391.221 2.349 40 0 GEABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCOC[C@@H]3CCCO3)cc12 ZINC000012186484 204379417 /nfs/dbraw/zinc/37/94/17/204379417.db2.gz UFVATHXHFFGBEZ-SFHVURJKSA-N 1 0 382.464 2.307 40 0 GEABRO CCn1nc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)c2ccccc2c1=O ZINC000012238137 204386974 /nfs/dbraw/zinc/38/69/74/204386974.db2.gz MKRIBNPOFDVBQB-QGZVFWFLSA-N 1 0 382.508 2.436 40 0 GEABRO COc1cccc(C2(O)CC[NH+](CCNC(=O)c3ccc(N(C)C)cc3)CC2)c1 ZINC000012291011 204389936 /nfs/dbraw/zinc/38/99/36/204389936.db2.gz OEKHVIBPXHUYNG-UHFFFAOYSA-N 1 0 397.519 2.475 40 0 GEABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)[C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000012337268 204398981 /nfs/dbraw/zinc/39/89/81/204398981.db2.gz RDUIPIVPECFRPK-QGZVFWFLSA-N 1 0 390.549 2.042 40 0 GEABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CN(CC(=O)Nc1ccc(F)cc1)CC2 ZINC000019711567 204673360 /nfs/dbraw/zinc/67/33/60/204673360.db2.gz SXFVEWWDOIORRR-UHFFFAOYSA-N 1 0 398.486 2.121 40 0 GEABRO CCc1ccc(NC(=O)C[C@@H]2N=C(NC(=[NH2+])Nc3ccc(C)cc3)NC2=O)cc1 ZINC000020799143 204741170 /nfs/dbraw/zinc/74/11/70/204741170.db2.gz MKLJCCLBMXYFFQ-KRWDZBQOSA-N 1 0 392.463 2.377 40 0 GEABRO O=C(Cn1nnc(-c2cccnc2)n1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000036752257 205021422 /nfs/dbraw/zinc/02/14/22/205021422.db2.gz SOXNLVUSIBYMOI-LJQANCHMSA-N 1 0 391.479 2.079 40 0 GEABRO COC(=O)CC[C@]1(C(=O)OC)C(=O)C[C@@H]2CC[C@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072340277 205328187 /nfs/dbraw/zinc/32/81/87/205328187.db2.gz ZEVUVDXHPCOHLV-LUQKVYGDSA-N 1 0 389.448 2.114 40 0 GEABRO C[N@H+]1CCc2nnc([C@H]3CCCN(C(=O)CCc4ccc(F)cc4)C3)n2CC1 ZINC000072370943 205336607 /nfs/dbraw/zinc/33/66/07/205336607.db2.gz XUJJHDQTPMEWOD-KRWDZBQOSA-N 1 0 385.487 2.244 40 0 GEABRO O=C(CCn1ncc2ccccc21)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000072390800 205340764 /nfs/dbraw/zinc/34/07/64/205340764.db2.gz GPSINPUEPUUISL-SFHVURJKSA-N 1 0 376.464 2.226 40 0 GEABRO CN(c1ccc(C(=O)NCC[NH+](C)C)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000224234137 206016415 /nfs/dbraw/zinc/01/64/15/206016415.db2.gz WBQKTPHCCAKSMH-UHFFFAOYSA-N 1 0 395.912 2.457 40 0 GEABRO CN([C@@H](C(=O)NCCC[NH+]1CCCCCC1)c1ccccc1)S(C)(=O)=O ZINC000224394889 206020321 /nfs/dbraw/zinc/02/03/21/206020321.db2.gz NCLYTBRTQMJWDO-GOSISDBHSA-N 1 0 381.542 2.001 40 0 GEABRO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224618777 206026075 /nfs/dbraw/zinc/02/60/75/206026075.db2.gz LDVFVPCONLICSI-BGYRXZFFSA-N 1 0 395.503 2.240 40 0 GEABRO CCN1CCN(C(=O)C(C)(C)[NH3+])C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257202213 206156986 /nfs/dbraw/zinc/15/69/86/206156986.db2.gz AKXWIZRFYZNJBX-IBGZPJMESA-N 1 0 394.519 2.335 40 0 GEABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)CC3CCCCC3)CC2)CC1 ZINC000257314669 206178321 /nfs/dbraw/zinc/17/83/21/206178321.db2.gz UXZHYOWDAPHADJ-JOCHJYFZSA-N 1 0 393.572 2.301 40 0 GEABRO CCc1nccn1CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[N@@H+]2C ZINC000257306259 206177184 /nfs/dbraw/zinc/17/71/84/206177184.db2.gz STMPNBQIIAXNAX-VAMGGRTRSA-N 1 0 382.508 2.400 40 0 GEABRO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257344434 206182691 /nfs/dbraw/zinc/18/26/91/206182691.db2.gz ZXENYYWEUROPKI-GOSISDBHSA-N 1 0 384.471 2.044 40 0 GEABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)CN3C(=O)CNC3=O)[C@H](c3ccccc3)C[C@@]21C ZINC000257331522 206180695 /nfs/dbraw/zinc/18/06/95/206180695.db2.gz XTFRSIBEJJPMRI-SPEDKVCISA-N 1 0 398.507 2.145 40 0 GEABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccccn3)C[C@H]1C2 ZINC000306139155 206206037 /nfs/dbraw/zinc/20/60/37/206206037.db2.gz SQTAHOABWUGVBE-HUUCEWRRSA-N 1 0 392.438 2.369 40 0 GEABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](CC3CC3)CC2)C1 ZINC000306123691 206196303 /nfs/dbraw/zinc/19/63/03/206196303.db2.gz ATYRZVLCPLPEDM-UHFFFAOYSA-N 1 0 382.468 2.123 40 0 GEABRO c1ccc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)nc1 ZINC000306134278 206202716 /nfs/dbraw/zinc/20/27/16/206202716.db2.gz NHNPRXIITRBIFP-KRWDZBQOSA-N 1 0 378.480 2.341 40 0 GEABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(N4CCOCC4)nc23)cc1 ZINC000096244146 136185612 /nfs/dbraw/zinc/18/56/12/136185612.db2.gz PQVAWKIWFNUNII-JOCHJYFZSA-N 1 0 380.492 2.296 40 0 GEABRO COc1cccc(C[N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)c1 ZINC000096251155 136185640 /nfs/dbraw/zinc/18/56/40/136185640.db2.gz PKIZXMQFOFUZBC-DENIHFKCSA-N 1 0 395.507 2.044 40 0 GEABRO OCCCNc1nc(NCc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329022678 534362562 /nfs/dbraw/zinc/36/25/62/534362562.db2.gz OPGUBQWFVBUMAM-UHFFFAOYSA-N 1 0 377.286 2.367 40 0 GEABRO COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)C[NH+](C)C)C2)C3)cc1 ZINC000004237361 560197759 /nfs/dbraw/zinc/19/77/59/560197759.db2.gz KROPLOKWPCYMHL-DOTOQJQBSA-N 1 0 381.476 2.031 40 0 biogenic,in-vitro GEABRO COCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2ccc(OC)cc2)no1 ZINC000015673410 560230637 /nfs/dbraw/zinc/23/06/37/560230637.db2.gz DISYWAUUWMZQCJ-IRXDYDNUSA-N 1 0 387.480 2.304 40 0 biogenic,in-vitro GEABRO COc1cc(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)cc(OC)c1 ZINC000328981166 570210441 /nfs/dbraw/zinc/21/04/41/570210441.db2.gz GRPATZCLYZZRIY-UHFFFAOYSA-N 1 0 399.417 2.464 40 0 GEABRO Cc1cc(=O)[nH]c(NC(=O)C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000019719782 570210929 /nfs/dbraw/zinc/21/09/29/570210929.db2.gz YWHWOLQXVHNNSG-AWEZNQCLSA-N 1 0 380.452 2.260 40 0 GEABRO C[NH+](C)CCNC(=O)[C@@H]1C[C@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 ZINC000096144485 570213513 /nfs/dbraw/zinc/21/35/13/570213513.db2.gz QMBPYHGQFHRXCX-NZQKXSOJSA-N 1 0 393.487 2.052 40 0 GEABRO COCC[N@@H+]1CC2(CCN(C(=O)c3ccccc3C)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144244 570213538 /nfs/dbraw/zinc/21/35/38/570213538.db2.gz ZITMSFSVOHUDGQ-QHCPKHFHSA-N 1 0 399.535 2.028 40 0 GEABRO Cc1nc(CC(=O)N2CCC([C@H]3CCCC[N@H+]3CC(=O)N(C)C)CC2)cs1 ZINC000019746319 570213572 /nfs/dbraw/zinc/21/35/72/570213572.db2.gz VGDJHYQFWVXRSC-GOSISDBHSA-N 1 0 392.569 2.175 40 0 GEABRO CN(C)c1ncc(-c2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)n(CC3CC3)c2)cn1 ZINC000096266408 570227356 /nfs/dbraw/zinc/22/73/56/570227356.db2.gz AWAIDQOWSLDOOT-SFHVURJKSA-N 1 0 382.512 2.197 40 0 GEABRO O=C(c1ccc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2c1)N1CCOCC1 ZINC000096267516 570227769 /nfs/dbraw/zinc/22/77/69/570227769.db2.gz SGHSBBIAURMZKE-SFHVURJKSA-N 1 0 391.475 2.191 40 0 GEABRO C[N@H+](CCc1ccccc1)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585285008 570254275 /nfs/dbraw/zinc/25/42/75/570254275.db2.gz NAIIGWXEDYMPPQ-UPVQGACJSA-N 1 0 396.531 2.118 40 0 GEABRO Cc1cccc(C[NH2+]C[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)c1C ZINC000585286081 570255518 /nfs/dbraw/zinc/25/55/18/570255518.db2.gz VDQYZKFLSKWSIZ-UPVQGACJSA-N 1 0 396.531 2.350 40 0 GEABRO Cc1cc(C)cc(NC(=O)C[C@@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)c1 ZINC000020799091 570280977 /nfs/dbraw/zinc/28/09/77/570280977.db2.gz OSESAMVCAFSZNJ-INIZCTEOSA-N 1 0 378.436 2.123 40 0 GEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(O)c1 ZINC000020801152 570281227 /nfs/dbraw/zinc/28/12/27/570281227.db2.gz BWHAEMPMYDVHAP-RBUKOAKNSA-N 1 0 393.443 2.157 40 0 GEABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016024647 570308900 /nfs/dbraw/zinc/30/89/00/570308900.db2.gz FWFOKESFNUMURE-LXGFNCFKSA-N 1 0 387.455 2.391 40 0 GEABRO C[C@H]1C[NH+](C[C@H](O)COCCOc2ccccc2Br)C[C@H](C)O1 ZINC000035088582 570312875 /nfs/dbraw/zinc/31/28/75/570312875.db2.gz SPDURGWUGSBZKH-KKUMJFAQSA-N 1 0 388.302 2.315 40 0 GEABRO O=S(=O)(N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3F)CC2)C1)C1CC1 ZINC000108530578 570313085 /nfs/dbraw/zinc/31/30/85/570313085.db2.gz LOCLUGYQSCZHAC-MRXNPFEDSA-N 1 0 382.501 2.421 40 0 GEABRO COC(=O)c1cccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000026833090 570428931 /nfs/dbraw/zinc/42/89/31/570428931.db2.gz CCYVPIMWNDANFF-UHFFFAOYSA-N 1 0 388.489 2.200 40 0 GEABRO O=C(c1ccc2nnnn2c1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199249 570447402 /nfs/dbraw/zinc/44/74/02/570447402.db2.gz XNUWCFZIUXMXTG-JRBPQWBISA-N 1 0 378.480 2.160 40 0 GEABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000030758102 570495674 /nfs/dbraw/zinc/49/56/74/570495674.db2.gz FSTKJCVKYIQLPT-UHFFFAOYSA-N 1 0 393.553 2.218 40 0 GEABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccccc2F)cc1 ZINC000013673474 570771296 /nfs/dbraw/zinc/77/12/96/570771296.db2.gz OHBQHWFDYWORBX-UHFFFAOYSA-N 1 0 393.484 2.007 40 0 GEABRO Cc1ccccc1CN(c1ccc(C(=O)NCC[NH+](C)C)cc1)S(C)(=O)=O ZINC000013676031 570772276 /nfs/dbraw/zinc/77/22/76/570772276.db2.gz OALAACBEUQMVFH-UHFFFAOYSA-N 1 0 389.521 2.253 40 0 GEABRO CNc1cc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759857 570887623 /nfs/dbraw/zinc/88/76/23/570887623.db2.gz YJEBPMQEIJSNMD-INIZCTEOSA-N 1 0 393.488 2.211 40 0 GEABRO COc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(Cc4cncs4)C3)C2)cc1 ZINC000585103834 570928879 /nfs/dbraw/zinc/92/88/79/570928879.db2.gz QOQHFAKAHDSUHF-FQEVSTJZSA-N 1 0 387.505 2.403 40 0 GEABRO Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H]4CO)C3)CC2)s1 ZINC000585105094 570934157 /nfs/dbraw/zinc/93/41/57/570934157.db2.gz XSZNWEPZKDKDIP-IRXDYDNUSA-N 1 0 393.553 2.228 40 0 GEABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CC[C@@H](O)C4)C3)CC2)cc1F ZINC000585104846 570934164 /nfs/dbraw/zinc/93/41/64/570934164.db2.gz UIAVPNBNWHEROA-QZTJIDSGSA-N 1 0 376.472 2.212 40 0 GEABRO COc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCC(C)C)C[C@@H]23)c1 ZINC000585106017 570935875 /nfs/dbraw/zinc/93/58/75/570935875.db2.gz FALHWUVWPBKYSW-UXHICEINSA-N 1 0 399.535 2.394 40 0 GEABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccsc2)CC1 ZINC000585106089 570935946 /nfs/dbraw/zinc/93/59/46/570935946.db2.gz KUHHVVJVSFCCLV-JQHSSLGASA-N 1 0 389.565 2.376 40 0 GEABRO CC[NH+]1CCN([C@H](CC(C)C)c2nnnn2Cc2ccc3c(c2)OCO3)CC1 ZINC000020141697 570941891 /nfs/dbraw/zinc/94/18/91/570941891.db2.gz SIFIKXUKJRQDAF-QGZVFWFLSA-N 1 0 386.500 2.175 40 0 GEABRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3C(C)(C)C3(F)F)cn2)CC1 ZINC000660350210 570953136 /nfs/dbraw/zinc/95/31/36/570953136.db2.gz KBIBEFJOBSKWGB-OAHLLOKOSA-N 1 0 381.471 2.314 40 0 GEABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019018426 570954750 /nfs/dbraw/zinc/95/47/50/570954750.db2.gz ZVPLFLDILBAYFH-QGZVFWFLSA-N 1 0 380.496 2.198 40 0 GEABRO C[C@H](NC(=O)C(F)F)C(=O)N1Cc2ccccc2O[C@@]2(CCC[N@H+](C)CC2)C1 ZINC000019079583 570955750 /nfs/dbraw/zinc/95/57/50/570955750.db2.gz UIEVNTTXENTBAS-VBKZILBWSA-N 1 0 395.450 2.032 40 0 GEABRO C[C@H](Oc1ccc(F)cc1)C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019080347 570955788 /nfs/dbraw/zinc/95/57/88/570955788.db2.gz TZBPOEFZATUAAD-LSDHHAIUSA-N 1 0 397.454 2.231 40 0 GEABRO C[C@@H](Oc1cccc(F)c1)C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019080357 570955885 /nfs/dbraw/zinc/95/58/85/570955885.db2.gz HDJPRVXOKPINDU-HUUCEWRRSA-N 1 0 397.454 2.231 40 0 GEABRO C[C@H]1CCC[C@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022823154 570962046 /nfs/dbraw/zinc/96/20/46/570962046.db2.gz FOOABQKFWPGKMA-QXAKKESOSA-N 1 0 376.497 2.099 40 0 GEABRO Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC000019288902 570971032 /nfs/dbraw/zinc/97/10/32/570971032.db2.gz ZYJBEWCJBHMSFM-HXUWFJFHSA-N 1 0 386.471 2.486 40 0 GEABRO O=C(CCc1cccc(Cl)c1)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019293380 570973205 /nfs/dbraw/zinc/97/32/05/570973205.db2.gz IKZXIBVHPMMTNN-HNNXBMFYSA-N 1 0 398.898 2.306 40 0 GEABRO O=C(CCCc1ccc(F)cc1)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019333618 570975410 /nfs/dbraw/zinc/97/54/10/570975410.db2.gz FIUNSKQEXWHVGO-MRXNPFEDSA-N 1 0 396.470 2.181 40 0 GEABRO O=C(Cc1ccc2c(c1)CCCO2)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019345705 570978136 /nfs/dbraw/zinc/97/81/36/570978136.db2.gz SPXGTUUIBCAHJX-GOSISDBHSA-N 1 0 392.503 2.396 40 0 GEABRO O=C([C@@H]1OCCc2ccccc21)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019375464 570982043 /nfs/dbraw/zinc/98/20/43/570982043.db2.gz ZPTBINILMWYCFB-WOJBJXKFSA-N 1 0 378.476 2.490 40 0 GEABRO C[C@H](C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](C)CC3)C1)c1ccccc1 ZINC000019459196 570988000 /nfs/dbraw/zinc/98/80/00/570988000.db2.gz BLEYJRJYYUUGSF-RDJZCZTQSA-N 1 0 380.492 2.268 40 0 GEABRO CCOc1ncccc1C(=O)NCCn1nc([C@@H]2CC[N@H+](C)C2)c2cccnc21 ZINC000019531548 570998711 /nfs/dbraw/zinc/99/87/11/570998711.db2.gz TWDSXCVFFLDKFU-OAHLLOKOSA-N 1 0 394.479 2.074 40 0 GEABRO COc1ccc(OC)c(CC(=O)N2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019551372 571000813 /nfs/dbraw/zinc/00/08/13/571000813.db2.gz HJPPZVJFIZNTPF-IBGZPJMESA-N 1 0 396.491 2.436 40 0 GEABRO CCN1CCN(C(=O)C[NH3+])C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183646 571001084 /nfs/dbraw/zinc/00/10/84/571001084.db2.gz YUTXBOFIQIZBPF-HXUWFJFHSA-N 1 0 379.504 2.470 40 0 GEABRO CN1CC[NH+](C[C@@]2(O)CCCN(C(=O)CCc3c[nH]c4ccccc34)CC2)CC1 ZINC000585183660 571001163 /nfs/dbraw/zinc/00/11/63/571001163.db2.gz JLRDLGXLZZHIIR-HSZRJFAPSA-N 1 0 398.551 2.092 40 0 GEABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@](O)(C[NH+]2CCOCC2)CC1 ZINC000585183665 571001243 /nfs/dbraw/zinc/00/12/43/571001243.db2.gz NXLKKZOUSMXPDP-OAQYLSRUSA-N 1 0 389.471 2.305 40 0 GEABRO Cc1c(C[NH+]2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)cnn1C ZINC000019553571 571002078 /nfs/dbraw/zinc/00/20/78/571002078.db2.gz IYTVIBIZVZXKLF-QGZVFWFLSA-N 1 0 387.484 2.005 40 0 GEABRO COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H]1c1ncc3c(n1)CC[NH2+]C3)CO2 ZINC000019562398 571005874 /nfs/dbraw/zinc/00/58/74/571005874.db2.gz GRRVYSNDKIYGHN-KXBFYZLASA-N 1 0 394.475 2.046 40 0 GEABRO C[NH+](C)CCn1nc([C@H]2CCN(C(=O)Cc3ccccc3F)C2)c2nccnc21 ZINC000019583093 571014263 /nfs/dbraw/zinc/01/42/63/571014263.db2.gz FOSRQBRMMKCKGE-INIZCTEOSA-N 1 0 396.470 2.086 40 0 GEABRO COc1ccc(OC)c(CC(=O)N2CC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c1 ZINC000019590606 571017829 /nfs/dbraw/zinc/01/78/29/571017829.db2.gz GIDZUVVKEKQLNY-OAHLLOKOSA-N 1 0 396.491 2.040 40 0 GEABRO COCCOc1ccc(C(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)cc1 ZINC000019593654 571019788 /nfs/dbraw/zinc/01/97/88/571019788.db2.gz XIABRFVAPBOBAZ-UHFFFAOYSA-N 1 0 396.491 2.167 40 0 GEABRO COCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019593088 571019867 /nfs/dbraw/zinc/01/98/67/571019867.db2.gz GTMGGQKUPNWBCT-OAHLLOKOSA-N 1 0 388.512 2.225 40 0 GEABRO Nc1nc(C(F)(F)F)nn1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000019654765 571022713 /nfs/dbraw/zinc/02/27/13/571022713.db2.gz CKXMSFVMAAJUFW-AWEZNQCLSA-N 1 0 396.417 2.223 40 0 GEABRO CC(C)[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccccc3)C1)C2=O ZINC000019699833 571031094 /nfs/dbraw/zinc/03/10/94/571031094.db2.gz GWSLAYQJCUHQEU-SFHVURJKSA-N 1 0 398.507 2.086 40 0 GEABRO COc1cccc(C[NH+]2CCC(c3nnc4n3CCN(C(C)=O)CC4)CC2)c1 ZINC000019708967 571033186 /nfs/dbraw/zinc/03/31/86/571033186.db2.gz TYXFRLHILMVTJX-UHFFFAOYSA-N 1 0 383.496 2.071 40 0 GEABRO Cn1c(C(=O)N2CCC[C@@H]2c2nnc3n2CC[N@@H+](C)CC3)cc2cc(F)ccc21 ZINC000019710663 571034813 /nfs/dbraw/zinc/03/48/13/571034813.db2.gz LYTRBYYCSYXURF-QGZVFWFLSA-N 1 0 396.470 2.374 40 0 GEABRO CCc1cc2c(ncn(CC(=O)NC(C)(C)C[NH+]3CCCCC3)c2=O)s1 ZINC000019714827 571036362 /nfs/dbraw/zinc/03/63/62/571036362.db2.gz MYUHNDRAWWZPCZ-UHFFFAOYSA-N 1 0 376.526 2.401 40 0 GEABRO CCN1CC[C@@]2(CN(C(C)=O)CC23CC[NH+](Cc2cccs2)CC3)C1=O ZINC000096036489 571096306 /nfs/dbraw/zinc/09/63/06/571096306.db2.gz WLUIXWZLXIMCTC-HXUWFJFHSA-N 1 0 375.538 2.431 40 0 GEABRO CCN1CC[C@@]2(CN(C(C)=O)CC23CC[NH+](Cc2ccc(OC)cc2)CC3)C1=O ZINC000096036503 571096502 /nfs/dbraw/zinc/09/65/02/571096502.db2.gz BMXWCNLGUJXQEA-HSZRJFAPSA-N 1 0 399.535 2.378 40 0 GEABRO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccncc2)CCN3C)cc1 ZINC000096050129 571097269 /nfs/dbraw/zinc/09/72/69/571097269.db2.gz LIZLVSQQEOTVEJ-UHFFFAOYSA-N 1 0 394.519 2.399 40 0 GEABRO Cn1cc[nH+]c1N[C@H]1COC2(C1)CCN(C(=O)c1nn(C)c3ccccc31)CC2 ZINC000096074218 571098383 /nfs/dbraw/zinc/09/83/83/571098383.db2.gz JKTUNEDWXRAWBK-OAHLLOKOSA-N 1 0 394.479 2.183 40 0 GEABRO C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccco1)CC3 ZINC000096062589 571098591 /nfs/dbraw/zinc/09/85/91/571098591.db2.gz PFVMXBPPQOBJIN-PGRDOPGGSA-N 1 0 385.508 2.466 40 0 GEABRO N[C@@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252515661 645566250 /nfs/dbraw/zinc/56/62/50/645566250.db2.gz MLALTAJACZOZPE-XHSDSOJGSA-N 1 0 381.295 2.045 40 0 GEABRO C[NH+](C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020049192 531579446 /nfs/dbraw/zinc/57/94/46/531579446.db2.gz RBTYFQFPOZHCOJ-UHFFFAOYSA-N 1 0 381.885 2.432 40 0 GEABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN21 ZINC000253408330 291116715 /nfs/dbraw/zinc/11/67/15/291116715.db2.gz XLRQKNVCHODDSR-GGAORHGYSA-N 1 0 397.494 2.219 40 0 biogenic,in-vitro GEABRO [NH3+]C[C@]1(CO)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242538937 532518808 /nfs/dbraw/zinc/51/88/08/532518808.db2.gz JIRVDPWRCFPHGZ-BBWFWOEESA-N 1 0 396.306 2.326 40 0 GEABRO COc1ccccc1Nc1cc(-c2ccncc2)nc(NCCC[NH+](C)C)n1 ZINC000329027669 203770891 /nfs/dbraw/zinc/77/08/91/203770891.db2.gz PSMUKDRSTOVHEV-UHFFFAOYSA-N 1 0 378.480 2.498 40 0 GEABRO Cc1ccc(CN(c2ccc(C(=O)NCC[NH+](C)C)cc2)S(C)(=O)=O)cc1 ZINC000010111603 204330001 /nfs/dbraw/zinc/33/00/01/204330001.db2.gz HEWBAASUYNCFKB-UHFFFAOYSA-N 1 0 389.521 2.253 40 0 GEABRO C[NH+](C)CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000010111480 204330557 /nfs/dbraw/zinc/33/05/57/204330557.db2.gz RZTWBKSEMSYSSW-UHFFFAOYSA-N 1 0 387.933 2.196 40 0 GEABRO Cn1c2ccc(S(=O)(=O)N3CCCC[C@@H]3C[NH+]3CCCCC3)cc2oc1=O ZINC000012239385 204386319 /nfs/dbraw/zinc/38/63/19/204386319.db2.gz CSKKNVOCVKTDIE-OAHLLOKOSA-N 1 0 393.509 2.161 40 0 GEABRO C[C@H](CC(=O)N(C[C@@H]1CCCO1)C1CC[NH+](C)CC1)n1nnc2ccccc21 ZINC000019455081 204644483 /nfs/dbraw/zinc/64/44/83/204644483.db2.gz LNNRUHNVYOAJHQ-AEFFLSMTSA-N 1 0 385.512 2.484 40 0 GEABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)c3ccc4c(c3)CCCC4)C2)c2nccnc21 ZINC000019345469 204637792 /nfs/dbraw/zinc/63/77/92/204637792.db2.gz MFFJEXPTOZPEQJ-GOSISDBHSA-N 1 0 390.491 2.294 40 0 GEABRO COc1ccccc1CCC(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019569891 204656855 /nfs/dbraw/zinc/65/68/55/204656855.db2.gz SZNNLTYRVXADSE-QGZVFWFLSA-N 1 0 380.492 2.470 40 0 GEABRO COc1cccc(OC)c1C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019566876 204657442 /nfs/dbraw/zinc/65/74/42/204657442.db2.gz HNYHMUQUCYBMDO-CQSZACIVSA-N 1 0 382.464 2.159 40 0 GEABRO Cc1cc(S(=O)(=O)N2CCc3nc(C4CC[NH2+]CC4)ncc3C2)ccc1F ZINC000019570791 204658639 /nfs/dbraw/zinc/65/86/39/204658639.db2.gz CTQXKBRPQPWTMA-UHFFFAOYSA-N 1 0 390.484 2.138 40 0 GEABRO CNS(=O)(=O)c1cccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000032462250 204911286 /nfs/dbraw/zinc/91/12/86/204911286.db2.gz CMQAGPBIAUFRTQ-UHFFFAOYSA-N 1 0 387.505 2.121 40 0 GEABRO COc1ccccc1-c1c2c(ccn(CCC[NH+](C)C)c2=O)nc2ncnn21 ZINC000040398175 205064220 /nfs/dbraw/zinc/06/42/20/205064220.db2.gz UCRGXAYDUGACFU-UHFFFAOYSA-N 1 0 378.436 2.067 40 0 GEABRO COc1ccc(CCC(=O)N2CCC(c3nnc4n3CC[N@@H+](C)C4)CC2)cc1 ZINC000072372088 205335301 /nfs/dbraw/zinc/33/53/01/205335301.db2.gz SYPZXDRGKCBUGS-UHFFFAOYSA-N 1 0 383.496 2.071 40 0 GEABRO O=C(CCc1c[nH]c2ccccc12)N1CCc2nnc([C@@H]3CCC[NH2+]C3)n2CC1 ZINC000072370890 205336145 /nfs/dbraw/zinc/33/61/45/205336145.db2.gz JOULCZSKWSZGGQ-QGZVFWFLSA-N 1 0 392.507 2.244 40 0 GEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CCN(C(=O)c1scnc1C)C2 ZINC000072372213 205337670 /nfs/dbraw/zinc/33/76/70/205337670.db2.gz TZGGAKVITYHAMD-UHFFFAOYSA-N 1 0 386.525 2.291 40 0 GEABRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2nnc3n2CC[N@@H+](C)C3)ccc1F ZINC000072373990 205338303 /nfs/dbraw/zinc/33/83/03/205338303.db2.gz QGEFSCWVFXDPLV-MRXNPFEDSA-N 1 0 393.488 2.087 40 0 GEABRO Cc1cc(C(=O)NCC[NH+](C)C)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224196850 206016514 /nfs/dbraw/zinc/01/65/14/206016514.db2.gz XDCTWNKDFZSFDM-UHFFFAOYSA-N 1 0 375.494 2.112 40 0 GEABRO c1nc2n(c1-c1ccc3c(c1)OCCO3)C[C@H](C[NH2+]Cc1ccncc1)OC2 ZINC000096296442 206120615 /nfs/dbraw/zinc/12/06/15/206120615.db2.gz ZBJUYBDMTAXEOD-KRWDZBQOSA-N 1 0 378.432 2.405 40 0 biogenic,in-vitro GEABRO c1c[nH]c(C[NH2+]C[C@H]2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)n1 ZINC000096269421 206120795 /nfs/dbraw/zinc/12/07/95/206120795.db2.gz BJDWNVMJVHIZFC-HNNXBMFYSA-N 1 0 381.436 2.123 40 0 biogenic,in-vitro GEABRO O=S(=O)(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]12)c1ccccc1 ZINC000245482327 206134246 /nfs/dbraw/zinc/13/42/46/206134246.db2.gz JWOIASXNCHAIBW-KBAYOESNSA-N 1 0 378.519 2.173 40 0 GEABRO O=C(COc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257201195 206157833 /nfs/dbraw/zinc/15/78/33/206157833.db2.gz AGSNMINBLBVDGP-SFTDATJTSA-N 1 0 398.507 2.082 40 0 GEABRO Cc1ccc2cc(C(=O)N3CCC[C@@](O)(C[NH+]4CCN(C)CC4)CC3)[nH]c2c1 ZINC000257202704 206158201 /nfs/dbraw/zinc/15/82/01/206158201.db2.gz AMXXSGLBFBJOMI-QFIPXVFZSA-N 1 0 384.524 2.081 40 0 GEABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000257283427 206172193 /nfs/dbraw/zinc/17/21/93/206172193.db2.gz OYGNORLZUFRTJZ-OAQYLSRUSA-N 1 0 387.455 2.416 40 0 GEABRO CC1CC[NH+](CC(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)CC1 ZINC000257290689 206173670 /nfs/dbraw/zinc/17/36/70/206173670.db2.gz QDYIQLKROPZDNK-LPHOPBHVSA-N 1 0 391.487 2.029 40 0 GEABRO CCCn1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCCC2)n1 ZINC000257300210 206175479 /nfs/dbraw/zinc/17/54/79/206175479.db2.gz RTJZTGMYJAJFNR-CGXNFDGLSA-N 1 0 398.507 2.068 40 0 GEABRO C[NH2+]CC(=O)N1CC[C@@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 ZINC000257245976 206166757 /nfs/dbraw/zinc/16/67/57/206166757.db2.gz IRYDVEFHOHARDA-LLVKDONJSA-N 1 0 380.374 2.169 40 0 GEABRO O=C(N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000257269647 206170218 /nfs/dbraw/zinc/17/02/18/206170218.db2.gz MQUBXQOGKIJGMP-NJDAHSKKSA-N 1 0 398.507 2.242 40 0 GEABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)C3CC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257338234 206182099 /nfs/dbraw/zinc/18/20/99/206182099.db2.gz YWNLCZXULJSFDN-FUDKSRODSA-N 1 0 385.552 2.002 40 0 GEABRO O=C(NCc1ccccc1)C1=NO[C@]2(C1)COCC[C@H]2[NH2+]Cc1cccs1 ZINC000306122962 206194792 /nfs/dbraw/zinc/19/47/92/206194792.db2.gz AAPTWYCFAROCMW-UYAOXDASSA-N 1 0 385.489 2.458 40 0 GEABRO Cc1ccccc1C[N@H+]1CC[C@]2(C1)Cn1c(nnc1C(=O)NCC(C)C)CN2C ZINC000306140194 206205672 /nfs/dbraw/zinc/20/56/72/206205672.db2.gz UMNVIGPUXNBBAA-QFIPXVFZSA-N 1 0 396.539 2.062 40 0 GEABRO COc1ccc(-c2nnc3n(c2=O)CC[C@]32CC[N@H+](Cc3cccnc3)C2)cc1 ZINC000306141692 206207198 /nfs/dbraw/zinc/20/71/98/206207198.db2.gz WEDNOTHWPWUMCM-QFIPXVFZSA-N 1 0 389.459 2.256 40 0 GEABRO O=S(=O)(NC[C@H]1CO[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]12)c1ccccc1 ZINC000306131096 206200512 /nfs/dbraw/zinc/20/05/12/206200512.db2.gz JWOIASXNCHAIBW-CGTJXYLNSA-N 1 0 378.519 2.173 40 0 GEABRO CC[NH+](CC)CCCNC(=O)c1nc(-c2ccnn2CC2CC2)n2ccncc12 ZINC000306136190 206202471 /nfs/dbraw/zinc/20/24/71/206202471.db2.gz PMBOVZVKBMYKCE-UHFFFAOYSA-N 1 0 395.511 2.465 40 0 GEABRO O=C([C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccc3)CC2)O1)N1CCCC1 ZINC000063528511 206219669 /nfs/dbraw/zinc/21/96/69/206219669.db2.gz NMNOEWHVPRLVRO-IBGZPJMESA-N 1 0 380.492 2.396 40 0 GEABRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096230514 136185301 /nfs/dbraw/zinc/18/53/01/136185301.db2.gz VERVRPYOAZYNPB-FQEVSTJZSA-N 1 0 384.505 2.291 40 0 GEABRO Cc1ccc(N2CCN(CC3CC3)C3(CC[NH+](C4CCOCC4)CC3)C2=O)cn1 ZINC000096230393 136185323 /nfs/dbraw/zinc/18/53/23/136185323.db2.gz WODASSQYVGQXLW-UHFFFAOYSA-N 1 0 398.551 2.462 40 0 GEABRO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 ZINC000072347463 222235524 /nfs/dbraw/zinc/23/55/24/222235524.db2.gz SUPCTTYDZPBMDM-HNNXBMFYSA-N 1 0 396.491 2.336 40 0 GEABRO Cc1ccc(N(CCCC(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)cc1C ZINC000013670422 524897615 /nfs/dbraw/zinc/89/76/15/524897615.db2.gz WJDZLHNVJVBVRI-UHFFFAOYSA-N 1 0 395.569 2.452 40 0 GEABRO COc1ccc(CN2CC3(C2)C[N@H+](Cc2ccccc2)C[C@@H]2C[C@@H](O)CN23)cc1 ZINC000514288471 560035040 /nfs/dbraw/zinc/03/50/40/560035040.db2.gz BAVWCKGVOMDELX-FCHUYYIVSA-N 1 0 393.531 2.201 40 0 biogenic,in-vitro GEABRO CCS(=O)(=O)N[C@@H]1CC2(CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc21 ZINC000096079051 570210042 /nfs/dbraw/zinc/21/00/42/570210042.db2.gz HNBFXJPBZPERAW-QFBILLFUSA-N 1 0 378.538 2.441 40 0 GEABRO C[NH+](C)CCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2cccnc2)n1 ZINC000329010878 570212062 /nfs/dbraw/zinc/21/20/62/570212062.db2.gz MCXXGOFYPLDXPF-UHFFFAOYSA-N 1 0 384.871 2.459 40 0 GEABRO COc1cccc(Nc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)c1 ZINC000329020829 570213447 /nfs/dbraw/zinc/21/34/47/570213447.db2.gz ODHKIRILAXMYMI-UHFFFAOYSA-N 1 0 378.480 2.498 40 0 GEABRO CCN1C(=O)[C@H]2C[N@H+](CC(C)C)C[C@H]2C12CCN(C(=O)c1cccnc1)CC2 ZINC000096143601 570213529 /nfs/dbraw/zinc/21/35/29/570213529.db2.gz SFXNMDBVTRQXOQ-RBUKOAKNSA-N 1 0 384.524 2.123 40 0 GEABRO CN(C)c1ncc(C[N@@H+]2CC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cn1 ZINC000019748155 570214263 /nfs/dbraw/zinc/21/42/63/570214263.db2.gz AVDFOPJNLXJZGL-GOSISDBHSA-N 1 0 392.507 2.205 40 0 GEABRO COc1ccc(Nc2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)c(OC)c1 ZINC000329048475 570214859 /nfs/dbraw/zinc/21/48/59/570214859.db2.gz UKSRBODXAKMARQ-UHFFFAOYSA-N 1 0 385.390 2.074 40 0 GEABRO O=C(Cn1cc(NC(=O)c2ccccn2)cn1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000019749812 570215170 /nfs/dbraw/zinc/21/51/70/570215170.db2.gz DSIKHFYZSGKZSM-SFHVURJKSA-N 1 0 396.495 2.007 40 0 GEABRO Cc1cc2ccccc2n1CC(=O)N1CCn2c(nnc2[C@H]2CCC[N@@H+](C)C2)C1 ZINC000019752317 570215843 /nfs/dbraw/zinc/21/58/43/570215843.db2.gz PEIJIBWPKYUJDP-SFHVURJKSA-N 1 0 392.507 2.393 40 0 GEABRO CN1CC[N@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NC3CCCC3)cn21 ZINC000096156604 570216461 /nfs/dbraw/zinc/21/64/61/570216461.db2.gz NBEKJQXAYPLOOL-GOSISDBHSA-N 1 0 382.512 2.100 40 0 GEABRO Cc1nc([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763177 570217367 /nfs/dbraw/zinc/21/73/67/570217367.db2.gz YJDNAIHSHGILCX-GOSISDBHSA-N 1 0 399.539 2.213 40 0 GEABRO COCC[N@@H+]1CC[C@@H](c2nnc3ccc(C(=O)Nc4ccc(OC)cc4)cn32)C1 ZINC000096267491 570227731 /nfs/dbraw/zinc/22/77/31/570227731.db2.gz WFFBEJFISLAALA-OAHLLOKOSA-N 1 0 395.463 2.426 40 0 GEABRO C[N@H+](Cc1ccc(OCCCO)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585270513 570239294 /nfs/dbraw/zinc/23/92/94/570239294.db2.gz YGSGGPPJNAIUBB-NRFANRHFSA-N 1 0 389.471 2.055 40 0 GEABRO Cc1ccc(C[NH2+]C[C@@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2O)cc1 ZINC000585283123 570251424 /nfs/dbraw/zinc/25/14/24/570251424.db2.gz CBRXJZYGKADPOX-PZJWPPBQSA-N 1 0 388.895 2.376 40 0 GEABRO O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCCc2ccccc2)C1 ZINC000585284338 570253521 /nfs/dbraw/zinc/25/35/21/570253521.db2.gz JWWBQFKLAAICOL-LADGPHEKSA-N 1 0 396.531 2.166 40 0 GEABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585284927 570254453 /nfs/dbraw/zinc/25/44/53/570254453.db2.gz AXVSCUQQCWJISI-NRFANRHFSA-N 1 0 392.496 2.058 40 0 GEABRO C[N@H+](CCc1ccccc1)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585286228 570255572 /nfs/dbraw/zinc/25/55/72/570255572.db2.gz XYHMQCBKZMFTBU-LADGPHEKSA-N 1 0 396.531 2.118 40 0 GEABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]Cc2ccc(F)cc2)[C@@H](O)C1 ZINC000585286320 570255653 /nfs/dbraw/zinc/25/56/53/570255653.db2.gz YWZNFTJBOBQUFS-ICSRJNTNSA-N 1 0 392.858 2.207 40 0 GEABRO CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)CC1 ZINC000100232410 570269853 /nfs/dbraw/zinc/26/98/53/570269853.db2.gz XVUUOIARIWWSBI-HRCADAONSA-N 1 0 388.512 2.081 40 0 GEABRO Cc1cc(C)cc(NC(=O)C[C@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)c1 ZINC000020799095 570281037 /nfs/dbraw/zinc/28/10/37/570281037.db2.gz OSESAMVCAFSZNJ-MRXNPFEDSA-N 1 0 378.436 2.123 40 0 GEABRO CC(C)(C)C[NH+]1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 ZINC000604381635 570352787 /nfs/dbraw/zinc/35/27/87/570352787.db2.gz ILNDUWFVTFEOST-MRXNPFEDSA-N 1 0 375.488 2.083 40 0 biogenic,in-vitro GEABRO O=C(c1ccc2nnnn2c1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199248 570447560 /nfs/dbraw/zinc/44/75/60/570447560.db2.gz XNUWCFZIUXMXTG-HLNWXESRSA-N 1 0 378.480 2.160 40 0 GEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000223290543 570456310 /nfs/dbraw/zinc/45/63/10/570456310.db2.gz PDHQUJLPYLEFRS-RTBURBONSA-N 1 0 395.569 2.390 40 0 GEABRO COCCNC(=S)N(CC[NH+](C)C)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000004133499 570618261 /nfs/dbraw/zinc/61/82/61/570618261.db2.gz BBJMGNLTRINTTN-UHFFFAOYSA-N 1 0 390.553 2.029 40 0 GEABRO 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C[N@@H+]1CC[C@H](c2nn(CCNC(=O)Cc3ccc(F)cc3)c3ncccc23)C1 ZINC000072391590 205341016 /nfs/dbraw/zinc/34/10/16/205341016.db2.gz CZVUJKSIOTVNTB-INIZCTEOSA-N 1 0 381.455 2.348 40 0 GEABRO CN1CC[NH+](C[C@H]2CO[C@]3(C2)CCCN(C(=O)c2c[nH]c4ccccc42)C3)CC1 ZINC000096075611 205521493 /nfs/dbraw/zinc/52/14/93/205521493.db2.gz NUORUXQKXIGIMW-MBSDFSHPSA-N 1 0 396.535 2.427 40 0 GEABRO CCOCC[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC3CC3)[C@H]2CC1 ZINC000096145895 205532908 /nfs/dbraw/zinc/53/29/08/205532908.db2.gz UDDBFAJACFZMCW-ROUUACIJSA-N 1 0 394.537 2.349 40 0 GEABRO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224782609 206027466 /nfs/dbraw/zinc/02/74/66/206027466.db2.gz MSXPCNUEAUBJAY-BGYRXZFFSA-N 1 0 395.503 2.240 40 0 GEABRO COC(=O)c1ccccc1NC(=S)NC1CC[NH+](C2CCOCC2)CC1 ZINC000225214686 206040661 /nfs/dbraw/zinc/04/06/61/206040661.db2.gz AWYZQZQBDXIRTF-UHFFFAOYSA-N 1 0 377.510 2.403 40 0 GEABRO Cc1c(Cl)cccc1N(CCCC(=O)NCCC[NH+](C)C)S(C)(=O)=O ZINC000225785369 206075369 /nfs/dbraw/zinc/07/53/69/206075369.db2.gz UZWMXJYRGUDBAX-UHFFFAOYSA-N 1 0 389.949 2.263 40 0 GEABRO O=C(Cc1cccc(O)c1)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257210295 206159876 /nfs/dbraw/zinc/15/98/76/206159876.db2.gz BTZMBORTNMNFQI-LJQANCHMSA-N 1 0 382.451 2.409 40 0 GEABRO CC(=O)N[C@]12C[N@H+](Cc3ccncc3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257206994 206160096 /nfs/dbraw/zinc/16/00/96/206160096.db2.gz BFTWNUGAULUDGN-DNVJHFABSA-N 1 0 392.503 2.382 40 0 GEABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 ZINC000257216725 206161823 /nfs/dbraw/zinc/16/18/23/206161823.db2.gz CVVNIDBYYPDBOY-QFIPXVFZSA-N 1 0 399.491 2.285 40 0 GEABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)c1cc(=O)[nH]c(N)n1 ZINC000257314096 206177745 /nfs/dbraw/zinc/17/77/45/206177745.db2.gz UVHIRMIQCOMJQI-GBGLDMQLSA-N 1 0 393.491 2.121 40 0 GEABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)CN1CCCC1=O ZINC000257231502 206162898 /nfs/dbraw/zinc/16/28/98/206162898.db2.gz GGZIZIBCKUWMDC-MRXSCTINSA-N 1 0 381.520 2.352 40 0 GEABRO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CC[N@H+](CCc1ccccc1)C2 ZINC000257240711 206164828 /nfs/dbraw/zinc/16/48/28/206164828.db2.gz HUTXCCAWXVXMPW-GOSISDBHSA-N 1 0 379.508 2.455 40 0 GEABRO CO[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1O ZINC000257251504 206165818 /nfs/dbraw/zinc/16/58/18/206165818.db2.gz JRAGMVDSGNTWHR-VAMGGRTRSA-N 1 0 376.497 2.162 40 0 GEABRO COc1ccccc1[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000257246295 206165889 /nfs/dbraw/zinc/16/58/89/206165889.db2.gz ITMKQFKLCVCYTC-IBGZPJMESA-N 1 0 379.464 2.465 40 0 GEABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)c3cncc(O)c3)CC2)cc1 ZINC000257248727 206166177 /nfs/dbraw/zinc/16/61/77/206166177.db2.gz JEXOEGXPAKWQFF-JOCHJYFZSA-N 1 0 399.491 2.285 40 0 GEABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)CN1CCCC1=O)[C@H]3Cc1ccccc1 ZINC000257343456 206181382 /nfs/dbraw/zinc/18/13/82/206181382.db2.gz ZTCZWJOVBRQYHF-PYRYHMDCSA-N 1 0 381.520 2.352 40 0 GEABRO C[NH+](C)CCn1ccc(-c2nc(C(=O)NC[C@@H]3CCCO3)c3ccccn32)c1 ZINC000306145062 206207260 /nfs/dbraw/zinc/20/72/60/206207260.db2.gz ZWISCRDEACYVCH-KRWDZBQOSA-N 1 0 381.480 2.273 40 0 GEABRO Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4csc(C)n4)S(=O)(=O)[C@@H]3C2)s1 ZINC000306141108 206207358 /nfs/dbraw/zinc/20/73/58/206207358.db2.gz VLLYTARBLFGMEH-XJKSGUPXSA-N 1 0 383.564 2.467 40 0 GEABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@@H+](Cc4ccsc4)C[C@@H]32)cc1 ZINC000306127406 206199136 /nfs/dbraw/zinc/19/91/36/206199136.db2.gz FYAMFTZUHMUBKD-ZWKOTPCHSA-N 1 0 394.500 2.052 40 0 GEABRO CC(C)(C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccoc3)CC1)COC2 ZINC000306131670 206201375 /nfs/dbraw/zinc/20/13/75/206201375.db2.gz KLQVPSBTAHXZLR-UHFFFAOYSA-N 1 0 387.484 2.212 40 0 GEABRO Cc1cc(C)cc(C[N@H+]2CC[C@]3(CCn4c3nnc(-c3nccn3C)c4=O)C2)c1 ZINC000306137146 206202772 /nfs/dbraw/zinc/20/27/72/206202772.db2.gz QMOAUGWKKSOSDE-QFIPXVFZSA-N 1 0 390.491 2.203 40 0 GEABRO CN1CC[N@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NC3CCCC3)cn21 ZINC000306133990 206202845 /nfs/dbraw/zinc/20/28/45/206202845.db2.gz NBEKJQXAYPLOOL-SFHVURJKSA-N 1 0 382.512 2.100 40 0 GEABRO CCc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@H]3C2)cc1 ZINC000306136720 206203054 /nfs/dbraw/zinc/20/30/54/206203054.db2.gz QAZNRAQWVGHYLK-ZWKOTPCHSA-N 1 0 379.508 2.427 40 0 GEABRO Cc1n[nH]cc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000306140100 206204292 /nfs/dbraw/zinc/20/42/92/206204292.db2.gz UJYLWVCTIFPEEI-OAQYLSRUSA-N 1 0 398.511 2.021 40 0 GEABRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096050194 136183412 /nfs/dbraw/zinc/18/34/12/136183412.db2.gz ZUUAQJANKWSMAU-OAQYLSRUSA-N 1 0 382.439 2.061 40 0 GEABRO Fc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(N4CCOCC4)nc23)cc1 ZINC000096244148 136185570 /nfs/dbraw/zinc/18/55/70/136185570.db2.gz VTDQUMCFHZSTCC-OAQYLSRUSA-N 1 0 384.455 2.126 40 0 GEABRO COc1ccccc1CN1CC2(C1)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290110 560030692 /nfs/dbraw/zinc/03/06/92/560030692.db2.gz TVWWXTADVJXGQW-FGZHOGPDSA-N 1 0 393.531 2.201 40 0 biogenic,in-vitro GEABRO COC(=O)c1ccc2c(c1)CCN(c1cc(NCCCO)[nH+]c(C3CC3)n1)C2 ZINC000328975432 570210119 /nfs/dbraw/zinc/21/01/19/570210119.db2.gz FKEXMWRWJQBCTG-UHFFFAOYSA-N 1 0 382.464 2.498 40 0 GEABRO COc1ccc(Nc2cc(-c3ccccn3)nc(NCC[NH+](C)C)n2)c(OC)c1 ZINC000328993808 570211216 /nfs/dbraw/zinc/21/12/16/570211216.db2.gz JCLWGHZRAOPZIV-UHFFFAOYSA-N 1 0 394.479 2.117 40 0 GEABRO C[NH+](C)CCNC(=O)[C@H]1C[C@@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 ZINC000096144488 570213410 /nfs/dbraw/zinc/21/34/10/570213410.db2.gz QMBPYHGQFHRXCX-OFNKIYASSA-N 1 0 393.487 2.052 40 0 GEABRO C[C@H]1CCc2nc(NC(=O)C3CN(C(=O)C4CC[NH+](C)CC4)C3)sc2C1 ZINC000019747495 570213942 /nfs/dbraw/zinc/21/39/42/570213942.db2.gz MBNCQTQGPUSJRF-LBPRGKRZSA-N 1 0 376.526 2.007 40 0 GEABRO COc1ccc(Nc2cc(-c3ccccn3)nc(NCC[NH+](C)C)n2)cc1OC ZINC000329042620 570214448 /nfs/dbraw/zinc/21/44/48/570214448.db2.gz SPFKUPBAVUTMFL-UHFFFAOYSA-N 1 0 394.479 2.117 40 0 GEABRO C[NH+](C)CCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccncc2)n1 ZINC000329055456 570215645 /nfs/dbraw/zinc/21/56/45/570215645.db2.gz VOKICEOSTXCVKA-UHFFFAOYSA-N 1 0 384.434 2.246 40 0 GEABRO COCCN(C)C(=O)c1ccc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000096156157 570216546 /nfs/dbraw/zinc/21/65/46/570216546.db2.gz BIOMJWRUIATWPZ-SFHVURJKSA-N 1 0 393.491 2.437 40 0 GEABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccn3)C2)ncc1C(=O)N1CCOCC1 ZINC000019764011 570217307 /nfs/dbraw/zinc/21/73/07/570217307.db2.gz UROBLZDSFCFFDH-KRWDZBQOSA-N 1 0 381.480 2.032 40 0 GEABRO CC(C)C[N@@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)Cc4ccccc4)CC3)[C@@H]2C1 ZINC000096262215 570226017 /nfs/dbraw/zinc/22/60/17/570226017.db2.gz MNCOPHUGXLZHHF-VQTJNVASSA-N 1 0 383.536 2.266 40 0 GEABRO COc1ccc(C(=O)N2CCC3(CC2)[C@@H]2C[N@H+](CC(C)C)C[C@@H]2C(=O)N3C)cc1 ZINC000096262213 570226080 /nfs/dbraw/zinc/22/60/80/570226080.db2.gz BCQNAYRVWYXNEC-VQTJNVASSA-N 1 0 399.535 2.346 40 0 GEABRO COCC[N@@H+]1CC[C@H](c2nnc3ccc(C(=O)NCc4cccc(F)c4)cn32)C1 ZINC000096267480 570227606 /nfs/dbraw/zinc/22/76/06/570227606.db2.gz YXGNJJGINVNLHS-INIZCTEOSA-N 1 0 397.454 2.234 40 0 GEABRO Cc1ccc(F)c(NC(=O)CN2[C@H](C(N)=O)C[C@@H]([NH+](C)C)[C@@H]2c2ccccc2)c1 ZINC000585262107 570229809 /nfs/dbraw/zinc/22/98/09/570229809.db2.gz AUBHYLMRRUJUHH-DYXWJJEUSA-N 1 0 398.482 2.304 40 0 GEABRO CCc1ccc(NC(=O)C[C@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)cc1 ZINC000020635222 570273558 /nfs/dbraw/zinc/27/35/58/570273558.db2.gz UJBUQXAHJYKYEX-MRXNPFEDSA-N 1 0 378.436 2.068 40 0 GEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(O)cc1 ZINC000020636767 570273721 /nfs/dbraw/zinc/27/37/21/570273721.db2.gz JGHUUAAZDLOCKT-RTBURBONSA-N 1 0 393.443 2.157 40 0 GEABRO 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 570341843 /nfs/dbraw/zinc/34/18/43/570341843.db2.gz ZXZVNLHYBSEJJL-GBPOLFSSSA-N 1 0 387.439 2.426 40 0 GEABRO O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115329 570379120 /nfs/dbraw/zinc/37/91/20/570379120.db2.gz NMAQYDURQIMVLT-BGYRXZFFSA-N 1 0 395.503 2.240 40 0 GEABRO Cc1cc(N2CCN(C(=O)c3cnccn3)CC2)nc(NC2CCCCC2)[nH+]1 ZINC000049028113 570410633 /nfs/dbraw/zinc/41/06/33/570410633.db2.gz ZIAPLEIXRVDAFD-UHFFFAOYSA-N 1 0 381.484 2.282 40 0 GEABRO COc1ccc2[nH]cc([C@@H](O)C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000004039451 570453960 /nfs/dbraw/zinc/45/39/60/570453960.db2.gz ZZDWHMVMVVCQRA-WIEQDCTASA-N 1 0 379.460 2.491 40 0 GEABRO CNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000030555967 570491481 /nfs/dbraw/zinc/49/14/81/570491481.db2.gz DNYSALUUEGUKSO-UHFFFAOYSA-N 1 0 387.505 2.121 40 0 GEABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 ZINC000007540343 570760506 /nfs/dbraw/zinc/76/05/06/570760506.db2.gz KGXJAHKIZCXKHZ-QGZVFWFLSA-N 1 0 397.479 2.419 40 0 GEABRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000169293202 570780231 /nfs/dbraw/zinc/78/02/31/570780231.db2.gz AKHZFGDQAHCPLJ-KSZLIROESA-N 1 0 389.521 2.164 40 0 GEABRO C[NH+](C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000010111656 570781845 /nfs/dbraw/zinc/78/18/45/570781845.db2.gz NKINYWLARADPDK-UHFFFAOYSA-N 1 0 387.933 2.196 40 0 GEABRO CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)C3([NH3+])CC4(CCC4)C3)CC2)cc1 ZINC000659258816 570790346 /nfs/dbraw/zinc/79/03/46/570790346.db2.gz VVNKKAWPTXZECB-QGZVFWFLSA-N 1 0 399.535 2.349 40 0 GEABRO CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C3([NH3+])CC4(CCC4)C3)CC2)cc1 ZINC000659258815 570790556 /nfs/dbraw/zinc/79/05/56/570790556.db2.gz VVNKKAWPTXZECB-KRWDZBQOSA-N 1 0 399.535 2.349 40 0 GEABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccsc2)CC1 ZINC000585106090 570936001 /nfs/dbraw/zinc/93/60/01/570936001.db2.gz KUHHVVJVSFCCLV-NXHRZFHOSA-N 1 0 389.565 2.376 40 0 GEABRO Cc1snnc1C(=O)N1CC[N@@H+]2C[C@H](OCc3ccccc3F)C[C@@H]2C1 ZINC000585107952 570939444 /nfs/dbraw/zinc/93/94/44/570939444.db2.gz LHMLTRHEWFBVOT-HUUCEWRRSA-N 1 0 376.457 2.101 40 0 GEABRO COc1ccc(C[N@@H+]2CC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)c(OC)c1 ZINC000019018760 570954934 /nfs/dbraw/zinc/95/49/34/570954934.db2.gz MLMQFNBFTGVCOJ-KRWDZBQOSA-N 1 0 396.491 2.388 40 0 GEABRO C[C@H](Oc1ccc(F)cc1)C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000019080354 570955776 /nfs/dbraw/zinc/95/57/76/570955776.db2.gz TZBPOEFZATUAAD-GJZGRUSLSA-N 1 0 397.454 2.231 40 0 GEABRO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019079344 570955901 /nfs/dbraw/zinc/95/59/01/570955901.db2.gz OGANDRQNMUCCPG-HUUCEWRRSA-N 1 0 384.455 2.435 40 0 GEABRO Cn1nc(C(C)(C)C)cc1C(=O)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019083785 570956035 /nfs/dbraw/zinc/95/60/35/570956035.db2.gz ACBJYWAMNGCNDD-UHFFFAOYSA-N 1 0 382.512 2.173 40 0 GEABRO Cc1cc2cc(C(=O)N3CC[C@H](c4nn(CC[NH3+])c5nccnc45)C3)ccc2o1 ZINC000019126340 570957976 /nfs/dbraw/zinc/95/79/76/570957976.db2.gz XGNSCORWSNSPAA-HNNXBMFYSA-N 1 0 390.447 2.469 40 0 GEABRO COc1ccc2nc(C[NH+]3CCC(O)(Cn4nc(C)ccc4=O)CC3)ccc2c1 ZINC000019131362 570958514 /nfs/dbraw/zinc/95/85/14/570958514.db2.gz GMBFMMOQZXYLHW-UHFFFAOYSA-N 1 0 394.475 2.136 40 0 GEABRO Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019211387 570960519 /nfs/dbraw/zinc/96/05/19/570960519.db2.gz FRMACHKFRLVNOR-INIZCTEOSA-N 1 0 386.521 2.341 40 0 GEABRO Cc1cnc(C(=O)NCCn2nc(-c3ccccc3F)cc2C[NH+](C)C)cn1 ZINC000019238998 570968440 /nfs/dbraw/zinc/96/84/40/570968440.db2.gz YKPLEOXULBBQOI-UHFFFAOYSA-N 1 0 382.443 2.279 40 0 GEABRO Cc1nccc(-c2ccc(-c3noc(C[NH2+]CCCN4CCOCC4)n3)cc2)n1 ZINC000019287565 570970170 /nfs/dbraw/zinc/97/01/70/570970170.db2.gz UWBGHUZVVJZNEU-UHFFFAOYSA-N 1 0 394.479 2.314 40 0 GEABRO O=C1N[C@]2(CC[N@H+](Cc3ccc(CN4CCOCC4)o3)C2)CCc2ccccc21 ZINC000019375245 570981776 /nfs/dbraw/zinc/98/17/76/570981776.db2.gz FDZYCELRHKVGHE-QHCPKHFHSA-N 1 0 395.503 2.433 40 0 GEABRO CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC000019447785 570984316 /nfs/dbraw/zinc/98/43/16/570984316.db2.gz AGLPFNIOVAWNMV-HXUWFJFHSA-N 1 0 399.539 2.165 40 0 GEABRO C[C@H](Cn1cnc2ccccc21)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019457724 570987684 /nfs/dbraw/zinc/98/76/84/570987684.db2.gz WBQBDFJTFGSZGC-FOIQADDNSA-N 1 0 390.491 2.472 40 0 GEABRO CCOc1ncccc1C(=O)N1CCc2nc(C3CC[NH+](C)CC3)ncc2C1 ZINC000019531525 570998684 /nfs/dbraw/zinc/99/86/84/570998684.db2.gz RZSQKTOURBNXPZ-UHFFFAOYSA-N 1 0 381.480 2.278 40 0 GEABRO CCOc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[NH2+]C4)C2)cc1 ZINC000019532871 570999155 /nfs/dbraw/zinc/99/91/55/570999155.db2.gz XTPISIJWIOLZTB-KRWDZBQOSA-N 1 0 380.492 2.470 40 0 GEABRO COc1cc2sc(NC(=O)[C@H]3CCC[N@H+](CCC(N)=O)C3)nc2cc1Cl ZINC000019550661 571000794 /nfs/dbraw/zinc/00/07/94/571000794.db2.gz GYIJNRVAHYMVMZ-JTQLQIEISA-N 1 0 396.900 2.484 40 0 GEABRO COc1ccc(CCC(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019554581 571002996 /nfs/dbraw/zinc/00/29/96/571002996.db2.gz YIJKTXVWQRNHRK-KRWDZBQOSA-N 1 0 380.492 2.470 40 0 GEABRO COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)cc1OC ZINC000019560514 571005447 /nfs/dbraw/zinc/00/54/47/571005447.db2.gz FPTCPPDTMIMYFW-SFHVURJKSA-N 1 0 396.491 2.436 40 0 GEABRO COc1cccc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)c1OC ZINC000019567611 571008899 /nfs/dbraw/zinc/00/88/99/571008899.db2.gz OKHKEBXOYUMIMN-OAHLLOKOSA-N 1 0 384.480 2.377 40 0 GEABRO Cc1cc(C)n(CCCC(=O)N2CCC[C@H](c3ncc4c(n3)CC[NH2+]C4)C2)n1 ZINC000019574070 571010970 /nfs/dbraw/zinc/01/09/70/571010970.db2.gz MPEBGUZCRIVPQG-KRWDZBQOSA-N 1 0 382.512 2.122 40 0 GEABRO C[NH+](C)CCn1nc([C@H]2CCN(C(=O)Cc3cccc(F)c3)C2)c2nccnc21 ZINC000019583081 571013904 /nfs/dbraw/zinc/01/39/04/571013904.db2.gz OAISVDHRCZNZOF-INIZCTEOSA-N 1 0 396.470 2.086 40 0 GEABRO COc1cccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)c1 ZINC000019590255 571016891 /nfs/dbraw/zinc/01/68/91/571016891.db2.gz LHYJOTMBGNWFTJ-MRXNPFEDSA-N 1 0 396.491 2.127 40 0 GEABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)COc4ccccc4F)C3)ncc2C1 ZINC000019590411 571018187 /nfs/dbraw/zinc/01/81/87/571018187.db2.gz MJXIQEDGPBIKPF-HNNXBMFYSA-N 1 0 384.455 2.389 40 0 GEABRO Cn1cc(CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)c2cc(F)ccc21 ZINC000019662472 571026273 /nfs/dbraw/zinc/02/62/73/571026273.db2.gz VMHPFVSWVKARKG-UHFFFAOYSA-N 1 0 395.482 2.437 40 0 GEABRO Cn1ncc2c1ncn(CC(=O)Nc1ccc(C[NH+]3CCCCCC3)cc1)c2=O ZINC000019662781 571026633 /nfs/dbraw/zinc/02/66/33/571026633.db2.gz JZRBDRBBCRWKNW-UHFFFAOYSA-N 1 0 394.479 2.145 40 0 GEABRO CC(C)[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CC(C)(C)C)C1)C2=O ZINC000019699890 571030919 /nfs/dbraw/zinc/03/09/19/571030919.db2.gz VRALZRXWHDSZGG-MRXNPFEDSA-N 1 0 392.544 2.208 40 0 GEABRO C[NH+]1CCC(N(Cc2ccccc2)Cc2ccnc(N3CCOCC3)n2)CC1 ZINC000019715719 571037641 /nfs/dbraw/zinc/03/76/41/571037641.db2.gz ANLIIRNRDXKZOV-UHFFFAOYSA-N 1 0 381.524 2.410 40 0 GEABRO C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccoc1)CC3 ZINC000096036305 571096020 /nfs/dbraw/zinc/09/60/20/571096020.db2.gz RNSAFWDNVNDZRO-PGRDOPGGSA-N 1 0 385.508 2.466 40 0 GEABRO COCCN1CC2(CC[NH+](CC3CC3)CC2)COc2ccccc2S1(=O)=O ZINC000096037184 571096815 /nfs/dbraw/zinc/09/68/15/571096815.db2.gz LNMLVGPKBPTPSY-UHFFFAOYSA-N 1 0 394.537 2.208 40 0 GEABRO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1cnn(C)c1)CCC2 ZINC000096056041 571098039 /nfs/dbraw/zinc/09/80/39/571098039.db2.gz VQOOQRMPQPABGE-RXVVDRJESA-N 1 0 383.496 2.097 40 0 GEABRO Cc1ccc(Cl)cc1N(CCCC(=O)NCCC[NH+](C)C)S(C)(=O)=O ZINC000010364981 642359454 /nfs/dbraw/zinc/35/94/54/642359454.db2.gz DKILEIZQAWGRLN-UHFFFAOYSA-N 1 0 389.949 2.263 40 0 GEABRO COc1cccc(CNc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)c1 ZINC000328958435 222806208 /nfs/dbraw/zinc/80/62/08/222806208.db2.gz AOEPKPHPSWXSKA-UHFFFAOYSA-N 1 0 392.507 2.367 40 0 GEABRO CCn1c2ccc(S(=O)(=O)NCCC[NH+]3CCCCC3)cc2sc1=O ZINC000225692423 532487184 /nfs/dbraw/zinc/48/71/84/532487184.db2.gz UJCMVXLUCJZHGW-UHFFFAOYSA-N 1 0 383.539 2.237 40 0 GEABRO [NH3+]C[C@@]1(CO)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000242538938 532518024 /nfs/dbraw/zinc/51/80/24/532518024.db2.gz JIRVDPWRCFPHGZ-ZACQAIPSSA-N 1 0 396.306 2.326 40 0 GEABRO C[NH+](C)CCCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccn2)n1 ZINC000329028577 206240769 /nfs/dbraw/zinc/24/07/69/206240769.db2.gz PVVDYRJKVYFYER-UHFFFAOYSA-N 1 0 392.463 2.218 40 0 GEABRO COc1ccc2c(c1)C[C@H](C[NH+]1CCC3(CC1)C(=O)NCN3c1ccccc1)O2 ZINC000001868667 206393826 /nfs/dbraw/zinc/39/38/26/206393826.db2.gz QSTYMRMEJNQSJW-HXUWFJFHSA-N 1 0 393.487 2.427 40 0 GEABRO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH+]3CCN(CCO)CC3)C=C2C)o1 ZINC000035442618 206690841 /nfs/dbraw/zinc/69/08/41/206690841.db2.gz AORZHWVQPWCCCB-UFYCRDLUSA-N 1 0 376.545 2.385 40 0 biogenic,in-vitro GEABRO Cc1ccc(C2(O)CC[NH+](CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012326370 206887396 /nfs/dbraw/zinc/88/73/96/206887396.db2.gz WRQDXPLRRHDHOD-UHFFFAOYSA-N 1 0 382.460 2.437 40 0 GEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1cccc2ccccc21 ZINC000013670340 206987647 /nfs/dbraw/zinc/98/76/47/206987647.db2.gz XHXMXNUCOSRPGB-UHFFFAOYSA-N 1 0 389.521 2.208 40 0 GEABRO C[C@H](Oc1cccc(F)c1)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019079360 207100628 /nfs/dbraw/zinc/10/06/28/207100628.db2.gz VFXVKFMVTUVMJQ-LSDHHAIUSA-N 1 0 384.455 2.435 40 0 GEABRO C[C@H](Oc1cccc(F)c1)C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000019080368 207100884 /nfs/dbraw/zinc/10/08/84/207100884.db2.gz HDJPRVXOKPINDU-GJZGRUSLSA-N 1 0 397.454 2.231 40 0 GEABRO Cn1nc(C2CC2)cc1C(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019288820 207113008 /nfs/dbraw/zinc/11/30/08/207113008.db2.gz IJSOGXYOFHKQDL-HNNXBMFYSA-N 1 0 380.496 2.095 40 0 GEABRO O=S(=O)(c1cccc(Cl)c1)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000019293466 207115723 /nfs/dbraw/zinc/11/57/23/207115723.db2.gz UOWMLANPIOVQTR-UHFFFAOYSA-N 1 0 392.912 2.344 40 0 GEABRO O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019345913 207117344 /nfs/dbraw/zinc/11/73/44/207117344.db2.gz WZAJYWJTDNOYMH-DJJJIMSYSA-N 1 0 398.894 2.485 40 0 GEABRO O=C([C@H]1OCCc2ccccc21)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019375466 207119804 /nfs/dbraw/zinc/11/98/04/207119804.db2.gz ZPTBINILMWYCFB-UXHICEINSA-N 1 0 378.476 2.490 40 0 GEABRO O=C1N[C@@]2(CC[N@H+](Cc3ccc(N4CCOCC4)nc3)C2)CCc2ccccc21 ZINC000019375242 207120452 /nfs/dbraw/zinc/12/04/52/207120452.db2.gz TZUFZPDRGRTEIZ-HSZRJFAPSA-N 1 0 392.503 2.239 40 0 GEABRO C[C@@H](CC(=O)N(C[C@@H]1CCCO1)C1CC[NH+](C)CC1)n1nnc2ccccc21 ZINC000019455079 207123599 /nfs/dbraw/zinc/12/35/99/207123599.db2.gz LNNRUHNVYOAJHQ-WMZOPIPTSA-N 1 0 385.512 2.484 40 0 GEABRO CCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2OC)CC3)C1 ZINC000019498519 207125858 /nfs/dbraw/zinc/12/58/58/207125858.db2.gz LYZVGMXITKCSEW-INIZCTEOSA-N 1 0 396.491 2.475 40 0 GEABRO COc1ccc(OC)c(C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019551092 207130514 /nfs/dbraw/zinc/13/05/14/207130514.db2.gz ITPRAVCTMQGBTD-CQSZACIVSA-N 1 0 382.464 2.159 40 0 GEABRO CC[NH+]1CCN(c2nc([C@H]3CC(=O)N(c4cccc(C)c4C)C3)cc(=O)[nH]2)CC1 ZINC000019528240 207130810 /nfs/dbraw/zinc/13/08/10/207130810.db2.gz HUDSZVLWVGPCGK-KRWDZBQOSA-N 1 0 395.507 2.461 40 0 GEABRO Cc1nn(C[C@@H](C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c(C)c1C ZINC000019556853 207133473 /nfs/dbraw/zinc/13/34/73/207133473.db2.gz ZFZHFZZIPHPEBH-BFUOFWGJSA-N 1 0 382.512 2.244 40 0 GEABRO CC(C)[NH+]1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1 ZINC000019699411 207150033 /nfs/dbraw/zinc/15/00/33/207150033.db2.gz ACHZPZFRLBLVIE-UHFFFAOYSA-N 1 0 398.507 2.086 40 0 GEABRO CN(C)c1cccc(C(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3cccnc32)c1 ZINC000019585078 207140513 /nfs/dbraw/zinc/14/05/13/207140513.db2.gz VOYGJRJKXUOWQV-INIZCTEOSA-N 1 0 378.480 2.004 40 0 GEABRO C[N@@H+]1CCC[C@H](c2ncc3c(n2)CCN(C(=O)c2n[nH]c4c2CCCCC4)C3)C1 ZINC000019588624 207140680 /nfs/dbraw/zinc/14/06/80/207140680.db2.gz DROOMQAJANMXFF-HNNXBMFYSA-N 1 0 394.523 2.476 40 0 GEABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019590258 207141179 /nfs/dbraw/zinc/14/11/79/207141179.db2.gz ZWSBXLXURQVOKJ-HNNXBMFYSA-N 1 0 384.455 2.258 40 0 GEABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)c1scnc1C)C2 ZINC000019708884 207150184 /nfs/dbraw/zinc/15/01/84/207150184.db2.gz BWVZEENASUYQNO-CYBMUJFWSA-N 1 0 386.525 2.291 40 0 GEABRO COc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019590417 207141539 /nfs/dbraw/zinc/14/15/39/207141539.db2.gz TYOACNGBMBYMOY-KRWDZBQOSA-N 1 0 380.492 2.422 40 0 GEABRO C[NH2+]C1CCC2(CC1)CN(C(=O)c1ccc(=O)n(C)c1)Cc1ccccc1O2 ZINC000019592003 207141765 /nfs/dbraw/zinc/14/17/65/207141765.db2.gz NBNASUHPFUWWIJ-UHFFFAOYSA-N 1 0 381.476 2.321 40 0 GEABRO COc1cc(CCC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)on1 ZINC000019590284 207141970 /nfs/dbraw/zinc/14/19/70/207141970.db2.gz HLRQJCOTEQRISI-QGZVFWFLSA-N 1 0 385.468 2.148 40 0 GEABRO COc1cccc(CC(=O)N2CCc3nc([C@@H]4CCC[N@H+](C)C4)ncc3C2)c1 ZINC000019588602 207142446 /nfs/dbraw/zinc/14/24/46/207142446.db2.gz COHLWOLGBLMMMC-QGZVFWFLSA-N 1 0 380.492 2.422 40 0 GEABRO COc1ccc(CCC(=O)N2CC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019590599 207142522 /nfs/dbraw/zinc/14/25/22/207142522.db2.gz ZYQBFTPJPFGLSQ-KRWDZBQOSA-N 1 0 380.492 2.422 40 0 GEABRO COc1ccccc1CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019590422 207142554 /nfs/dbraw/zinc/14/25/54/207142554.db2.gz UGPYDHPXHZKCHV-QGZVFWFLSA-N 1 0 380.492 2.422 40 0 GEABRO Cc1cc(=O)n(CC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c2ccccc12 ZINC000019657060 207146026 /nfs/dbraw/zinc/14/60/26/207146026.db2.gz CSVHKEKQZSOIOF-UHFFFAOYSA-N 1 0 397.519 2.271 40 0 GEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CN(C(=O)CC[C@H]1CCCO1)CC2 ZINC000019711070 207151824 /nfs/dbraw/zinc/15/18/24/207151824.db2.gz QICSTTJKQZODGA-MRXNPFEDSA-N 1 0 387.528 2.171 40 0 GEABRO C[NH+]1CCC(c2nnc3n2CCN(C(=O)c2cccc4cccnc42)C3)CC1 ZINC000019711239 207151848 /nfs/dbraw/zinc/15/18/48/207151848.db2.gz UFBIPAVOQWHYAM-UHFFFAOYSA-N 1 0 376.464 2.292 40 0 GEABRO O=C(c1cccc(N2CCCCC2)c1)N1CCC[C@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019710772 207152006 /nfs/dbraw/zinc/15/20/06/207152006.db2.gz URXWNLVGUCFARQ-IBGZPJMESA-N 1 0 394.523 2.391 40 0 GEABRO COc1ccc(C)cc1N1C[C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)CC1=O ZINC000019715162 207152746 /nfs/dbraw/zinc/15/27/46/207152746.db2.gz YLOQQFYINRAGJK-QGZVFWFLSA-N 1 0 385.508 2.443 40 0 GEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CN(C(=O)CC[C@@H]1CCCO1)CC2 ZINC000019711069 207152752 /nfs/dbraw/zinc/15/27/52/207152752.db2.gz QICSTTJKQZODGA-INIZCTEOSA-N 1 0 387.528 2.171 40 0 GEABRO C[C@@H]1CCc2nc(NC(=O)C3CN(C(=O)C4CC[NH+](C)CC4)C3)sc2C1 ZINC000019747494 207157649 /nfs/dbraw/zinc/15/76/49/207157649.db2.gz MBNCQTQGPUSJRF-GFCCVEGCSA-N 1 0 376.526 2.007 40 0 GEABRO COc1ccc([C@H](NC(=O)C2CN(C(=O)C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000019747586 207157664 /nfs/dbraw/zinc/15/76/64/207157664.db2.gz KXJVYWRLORNVEH-HXUWFJFHSA-N 1 0 385.508 2.063 40 0 GEABRO Cc1nc([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763179 207161009 /nfs/dbraw/zinc/16/10/09/207161009.db2.gz YJDNAIHSHGILCX-SFHVURJKSA-N 1 0 399.539 2.213 40 0 GEABRO CCCCCCOC[C@H](O)CNCC[NH2+]C[C@@H](O)COCCCCCC ZINC000022584292 207256721 /nfs/dbraw/zinc/25/67/21/207256721.db2.gz ZSARAAXPFCGJBR-WOJBJXKFSA-N 1 0 376.582 2.081 40 0 GEABRO Cc1ccc(C)c([C@@H](O)C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000022887333 207262804 /nfs/dbraw/zinc/26/28/04/207262804.db2.gz IHUHYCMGLAPHQL-NRFANRHFSA-N 1 0 392.503 2.391 40 0 GEABRO Cc1noc(C)c1C(=O)N1CCC([C@H]2CCCC[N@H+]2CC(=O)N(C)C)CC1 ZINC000072354283 208000830 /nfs/dbraw/zinc/00/08/30/208000830.db2.gz CCIAWMPSIBDUAC-QGZVFWFLSA-N 1 0 376.501 2.086 40 0 GEABRO C[NH+](C)CCNC(=O)[C@H]1C[C@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 ZINC000096144486 208272241 /nfs/dbraw/zinc/27/22/41/208272241.db2.gz QMBPYHGQFHRXCX-NFBKMPQASA-N 1 0 393.487 2.052 40 0 GEABRO Cn1cc(-c2cnc(NCc3ccccc3)nc2)cc1C(=O)NCC[NH+](C)C ZINC000096147595 208273337 /nfs/dbraw/zinc/27/33/37/208273337.db2.gz GJCULWKZQVDXCT-UHFFFAOYSA-N 1 0 378.480 2.386 40 0 GEABRO CN1CC[NH+](C[C@H]2CO[C@@]3(C2)CCCN(C(=O)c2cc4ccccc4[nH]2)C3)CC1 ZINC000096075605 208257690 /nfs/dbraw/zinc/25/76/90/208257690.db2.gz VVJSIFHCCMJGCB-FDDCHVKYSA-N 1 0 396.535 2.427 40 0 GEABRO CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1cccnc1)CCC2 ZINC000096056131 208257815 /nfs/dbraw/zinc/25/78/15/208257815.db2.gz QUKXZPYAJDFRDD-UGKGYDQZSA-N 1 0 379.508 2.283 40 0 GEABRO COCCN(C)c1nc(C2CC[NH+](Cc3cnn(C)c3)CC2)cc2c1ncn2C ZINC000096099960 208263261 /nfs/dbraw/zinc/26/32/61/208263261.db2.gz CIQKMSQVIFYXIR-UHFFFAOYSA-N 1 0 397.527 2.164 40 0 GEABRO C[NH+](C)C1CCN(C(=O)C2=NO[C@@]3(CCN(Cc4cccc(F)c4)C3)C2)CC1 ZINC000096225677 208288795 /nfs/dbraw/zinc/28/87/95/208288795.db2.gz MOJIODRLEIXFPX-NRFANRHFSA-N 1 0 388.487 2.099 40 0 GEABRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NC(C)C)Cn2ccnc23)cc1 ZINC000096263252 208297008 /nfs/dbraw/zinc/29/70/08/208297008.db2.gz HVSUWCWJYWJMAH-IBGZPJMESA-N 1 0 398.507 2.306 40 0 GEABRO COc1ccc(C(=O)N2CC[C@H]3[N@H+](C)CC[C@@]3(C(=O)N3CCCC3)CC2)cc1 ZINC000096263627 208298188 /nfs/dbraw/zinc/29/81/88/208298188.db2.gz DICZBMUCBGHMBQ-DENIHFKCSA-N 1 0 385.508 2.244 40 0 GEABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cn1 ZINC000306131655 209101902 /nfs/dbraw/zinc/10/19/02/209101902.db2.gz KLHYNOXBXQLVCG-GOSISDBHSA-N 1 0 395.511 2.162 40 0 GEABRO Cc1cccc(C[NH+]2CCC3(CCc4nnc(C(=O)NC(C)C)n4C3)CC2)n1 ZINC000306132649 209101872 /nfs/dbraw/zinc/10/18/72/209101872.db2.gz LOIQLBUXBIDDAY-UHFFFAOYSA-N 1 0 382.512 2.348 40 0 GEABRO CC(C)CNC(=O)c1cn2c(nc1=O)[C@]1(CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000306126809 209097347 /nfs/dbraw/zinc/09/73/47/209097347.db2.gz FFVUHIWXWGKSGL-QFIPXVFZSA-N 1 0 380.492 2.177 40 0 GEABRO COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)C4CCC4)CC[C@H]3[N@@H+]2C)cc1 ZINC000306123195 209095494 /nfs/dbraw/zinc/09/54/94/209095494.db2.gz AGVPRIIBFSVRMK-SXLOBPIMSA-N 1 0 385.508 2.033 40 0 GEABRO O=S1(=O)CCN(Cc2ccc(F)cc2)[C@@H]2CN(Cc3cccs3)C[C@H]21 ZINC000306123123 209094631 /nfs/dbraw/zinc/09/46/31/209094631.db2.gz AFCNVRLDRWFVCC-QZTJIDSGSA-N 1 0 380.510 2.371 40 0 GEABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000096343722 209014512 /nfs/dbraw/zinc/01/45/12/209014512.db2.gz QYGGLFYEGRUAAA-GPMSIDNRSA-N 1 0 395.507 2.297 40 0 GEABRO CC(=O)N[C@H]1CN(C(=O)Cc2c(C)[nH]c3ccc(C)cc32)C2(C1)CC[NH2+]CC2 ZINC000257245674 209060008 /nfs/dbraw/zinc/06/00/08/209060008.db2.gz IQOASVDNKFTCNT-QGZVFWFLSA-N 1 0 382.508 2.186 40 0 GEABRO CC(=O)NCc1cn(-c2ccccc2C(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000257296955 209070735 /nfs/dbraw/zinc/07/07/35/209070735.db2.gz RFEJDPRCNCUSMK-UHFFFAOYSA-N 1 0 383.496 2.114 40 0 GEABRO Cc1cccc(C[N@@H+]2C[C@H]3N(c4ncccn4)CCC[C@@]3(C(=O)N(C)C)C2)c1 ZINC000096251150 136185754 /nfs/dbraw/zinc/18/57/54/136185754.db2.gz BDOIERJITQRQHI-DENIHFKCSA-N 1 0 379.508 2.344 40 0 GEABRO Cn1ccnc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257316730 209074319 /nfs/dbraw/zinc/07/43/19/209074319.db2.gz VGSOOHZLOZLPGR-JTAQYXEDSA-N 1 0 396.535 2.487 40 0 GEABRO O=C(c1ccc(OCC[NH+]2CCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257326572 209076782 /nfs/dbraw/zinc/07/67/82/209076782.db2.gz WXRPZRYRBZPBJS-SFTDATJTSA-N 1 0 398.507 2.196 40 0 GEABRO CC[C@@H](Oc1ccccc1OC)C(=O)N1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1 ZINC000072390959 222247369 /nfs/dbraw/zinc/24/73/69/222247369.db2.gz SDALCUBXOWXWST-MAUKXSAKSA-N 1 0 396.491 2.304 40 0 GEABRO Cc1cccc(CC(=O)N2CC[C@@H](c3nn(CC[NH+](C)C)c4nccnc34)C2)c1 ZINC000072391693 222248418 /nfs/dbraw/zinc/24/84/18/222248418.db2.gz LGBOUEPGOUDGGT-GOSISDBHSA-N 1 0 392.507 2.255 40 0 GEABRO CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000408708756 527727580 /nfs/dbraw/zinc/72/75/80/527727580.db2.gz MEIYDGAAVANLMS-UHFFFAOYSA-N 1 0 388.512 2.189 40 0 GEABRO O[C@@H]1C[C@H]2C[N@H+](CCc3ccccc3)CC3(CN(Cc4ccccc4F)C3)N2C1 ZINC000514289858 560031221 /nfs/dbraw/zinc/03/12/21/560031221.db2.gz PJYCKZNTIHZKSB-FCHUYYIVSA-N 1 0 395.522 2.374 40 0 biogenic,in-vitro GEABRO COCCOc1ncccc1-c1noc([C@@H]2CCCN2C2CC[NH+](C)CC2)n1 ZINC000035424996 560080826 /nfs/dbraw/zinc/08/08/26/560080826.db2.gz MWWFMMBRJATCDZ-KRWDZBQOSA-N 1 0 387.484 2.388 40 0 biogenic,in-vitro GEABRO O=C1CCCC[C@@H]2[C@H](CC[N@H+]2CC2(O)CCN(c3ccccc3F)CC2)N1 ZINC000585285420 570254621 /nfs/dbraw/zinc/25/46/21/570254621.db2.gz YMAFTAIFXVGASP-PKOBYXMFSA-N 1 0 375.488 2.290 40 0 GEABRO CCN1C(=O)[C@]2(CCCN(C(=O)CCCC[NH3+])C2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000585285396 570254778 /nfs/dbraw/zinc/25/47/78/570254778.db2.gz OZWBIDLGOITOAC-KAGYGMCKSA-N 1 0 387.524 2.079 40 0 GEABRO CN(c1ccc(C(=O)NC2CC[NH+](C)CC2)cc1)S(=O)(=O)c1cccs1 ZINC000113946171 570335278 /nfs/dbraw/zinc/33/52/78/570335278.db2.gz MVCFFBPUTRIFIF-UHFFFAOYSA-N 1 0 393.534 2.397 40 0 GEABRO Cc1cccc(N(CCCC(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)c1C ZINC000113962445 570337054 /nfs/dbraw/zinc/33/70/54/570337054.db2.gz PMMNETXANYESNB-UHFFFAOYSA-N 1 0 381.542 2.060 40 0 GEABRO COc1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@H](CO)[C@H]2Cc2ccnc(C(C)(C)C)n2)cc1 ZINC000604382183 570353551 /nfs/dbraw/zinc/35/35/51/570353551.db2.gz JKTOMNQSHFGRPL-XRXFAXGQSA-N 1 0 399.535 2.473 40 0 biogenic,in-vitro GEABRO CCc1oncc1C(=O)N1CC2(C1)CC[C@@H](C[N@H+](C)Cc1cccnc1)CO2 ZINC000575405078 570521623 /nfs/dbraw/zinc/52/16/23/570521623.db2.gz RPTMYXSJJVMWFD-KRWDZBQOSA-N 1 0 384.480 2.385 40 0 GEABRO O=C(NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000008278808 570526900 /nfs/dbraw/zinc/52/69/00/570526900.db2.gz OQVCRYYSMMARIH-UHFFFAOYSA-N 1 0 399.582 2.141 40 0 GEABRO CCCCOC(=O)c1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000003510237 570609970 /nfs/dbraw/zinc/60/99/70/570609970.db2.gz NXUXUPPUNZQFTL-UHFFFAOYSA-N 1 0 375.454 2.329 40 0 GEABRO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c1 ZINC000012124760 570613081 /nfs/dbraw/zinc/61/30/81/570613081.db2.gz OWDBXMRGIWTHPP-RRMPHLOHSA-N 1 0 385.464 2.232 40 0 GEABRO C[NH+](C)CCCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccncc1 ZINC000004130368 570616938 /nfs/dbraw/zinc/61/69/38/570616938.db2.gz HWVZIFHJLVAVQN-UHFFFAOYSA-N 1 0 388.541 2.396 40 0 GEABRO O=C(NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000012290913 570632940 /nfs/dbraw/zinc/63/29/40/570632940.db2.gz HMNHUIXBRVZAOI-UHFFFAOYSA-N 1 0 386.423 2.268 40 0 GEABRO O=C(NCC[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)[C@@H]1CCCO1 ZINC000012326467 570643201 /nfs/dbraw/zinc/64/32/01/570643201.db2.gz QIPCHWHEBKURJK-INIZCTEOSA-N 1 0 386.414 2.284 40 0 GEABRO CCC(=O)N1CCc2cc(S(=O)(=O)NCCC[N@@H+]3CCC[C@H](C)C3)ccc21 ZINC000004969237 570730459 /nfs/dbraw/zinc/73/04/59/570730459.db2.gz XHZDEBUYNIZULV-INIZCTEOSA-N 1 0 393.553 2.386 40 0 GEABRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)ccc3F)cc2)CC1 ZINC000061211484 570742425 /nfs/dbraw/zinc/74/24/25/570742425.db2.gz KNMRJNIOJJYWDA-UHFFFAOYSA-N 1 0 395.431 2.153 40 0 GEABRO Cc1cccc(C)c1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000013668438 570770022 /nfs/dbraw/zinc/77/00/22/570770022.db2.gz LEAXALPHHXUWBJ-UHFFFAOYSA-N 1 0 395.569 2.308 40 0 GEABRO Cc1ccc(NC(=[NH2+])NC2=N[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2)cc1 ZINC000009264757 570774296 /nfs/dbraw/zinc/77/42/96/570774296.db2.gz BAIWUKXYIIDUFS-INIZCTEOSA-N 1 0 378.436 2.123 40 0 GEABRO N[C@@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218216515 570816922 /nfs/dbraw/zinc/81/69/22/570816922.db2.gz MLALTAJACZOZPE-PMPSAXMXSA-N 1 0 381.295 2.045 40 0 GEABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000585106164 570935838 /nfs/dbraw/zinc/93/58/38/570935838.db2.gz TZIICQBWQDKFCG-AHRSYUTCSA-N 1 0 399.535 2.394 40 0 GEABRO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccs2)CC1 ZINC000585106225 570936442 /nfs/dbraw/zinc/93/64/42/570936442.db2.gz XTHMBFGGTFGHJO-CVEARBPZSA-N 1 0 375.538 2.447 40 0 GEABRO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000585109740 570938005 /nfs/dbraw/zinc/93/80/05/570938005.db2.gz NLEFZVNWHKBXJD-JAXLGGSGSA-N 1 0 381.476 2.131 40 0 GEABRO CC(=O)Nc1cccc(-c2cnc3n2CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC3)c1 ZINC000585111142 570945021 /nfs/dbraw/zinc/94/50/21/570945021.db2.gz GPAMENRAEFPQIU-IBGZPJMESA-N 1 0 395.507 2.378 40 0 GEABRO CC[C@@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C)[nH+]1 ZINC000328967217 571047991 /nfs/dbraw/zinc/04/79/91/571047991.db2.gz CRDFCPUACOPBLX-GFCCVEGCSA-N 1 0 375.498 2.206 40 0 GEABRO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(NCCO)[nH+]1 ZINC000329042023 647315647 /nfs/dbraw/zinc/31/56/47/647315647.db2.gz SMRGWYZIUFLLMY-UHFFFAOYSA-N 1 0 377.286 2.768 40 0 GEABRO COCC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc(OC)cc2)nn1C ZINC000008635370 291115310 /nfs/dbraw/zinc/11/53/10/291115310.db2.gz PJWQVFVQFHXIPS-SCTDSRPQSA-N 1 0 398.507 2.036 40 0 biogenic,in-vitro GEABRO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)C1 ZINC000225682578 532487571 /nfs/dbraw/zinc/48/75/71/532487571.db2.gz DUGWWWDDBHHOKO-CYBMUJFWSA-N 1 0 383.539 2.000 40 0 GEABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)CC ZINC000242400246 532519165 /nfs/dbraw/zinc/51/91/65/532519165.db2.gz ARWMFBNFXPVULY-RRFJBIMHSA-N 1 0 376.316 2.331 40 0 GEABRO CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@]1(C[NH3+])NC(=O)OC(C)(C)C ZINC000242592359 532519236 /nfs/dbraw/zinc/51/92/36/532519236.db2.gz ORHPMQATDKFAGE-VBQJREDUSA-N 1 0 388.917 2.463 40 0 GEABRO COc1ccc(Nc2cc(-c3cccnc3)nc(NCC[NH+](C)C)n2)cc1F ZINC000329015925 206241785 /nfs/dbraw/zinc/24/17/85/206241785.db2.gz NDWSRJRCCIDBJI-UHFFFAOYSA-N 1 0 382.443 2.247 40 0 GEABRO Cc1cc(C(F)F)nn1[C@H](C)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019119044 207102733 /nfs/dbraw/zinc/10/27/33/207102733.db2.gz BLXSFJVYLYXGIS-DOMZBBRYSA-N 1 0 390.438 2.490 40 0 GEABRO Cc1ccn(C[C@H](C)C(=O)N2CCc3nc(C4CC[NH+](C)CC4)ncc3C2)n1 ZINC000019237993 207111237 /nfs/dbraw/zinc/11/12/37/207111237.db2.gz LBYOUHWFFBIUEP-HNNXBMFYSA-N 1 0 382.512 2.012 40 0 GEABRO Cc1ccn(C[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCC[N@H+](C)C4)ncc3C2)n1 ZINC000019237982 207111301 /nfs/dbraw/zinc/11/13/01/207111301.db2.gz CYDOKEGCOMEVOM-NVXWUHKLSA-N 1 0 382.512 2.012 40 0 GEABRO Cn1nc(C2CC2)cc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019288819 207112469 /nfs/dbraw/zinc/11/24/69/207112469.db2.gz IJSOGXYOFHKQDL-OAHLLOKOSA-N 1 0 380.496 2.095 40 0 GEABRO O=C([C@@H]1OCCc2ccccc21)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019375462 207120770 /nfs/dbraw/zinc/12/07/70/207120770.db2.gz ZPTBINILMWYCFB-VQTJNVASSA-N 1 0 378.476 2.490 40 0 GEABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)CCCc3ccc(F)cc3)C2)c2nccnc21 ZINC000019333595 207116798 /nfs/dbraw/zinc/11/67/98/207116798.db2.gz IPGXNZZPWICRCX-INIZCTEOSA-N 1 0 396.470 2.263 40 0 GEABRO O=S(=O)(c1ccc(Cl)cc1)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019336128 207116915 /nfs/dbraw/zinc/11/69/15/207116915.db2.gz SJGIDESMQSMTQV-UHFFFAOYSA-N 1 0 392.912 2.344 40 0 GEABRO O=S(=O)(c1ccc(F)cc1)N1CCCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019335123 207117029 /nfs/dbraw/zinc/11/70/29/207117029.db2.gz WYFMXKODFNTDHJ-KRWDZBQOSA-N 1 0 376.457 2.177 40 0 GEABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)CCCc3ccc(F)cc3)C2)c2nccnc21 ZINC000019333591 207117054 /nfs/dbraw/zinc/11/70/54/207117054.db2.gz IPGXNZZPWICRCX-MRXNPFEDSA-N 1 0 396.470 2.263 40 0 GEABRO O=C(CCc1ccccc1F)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000019348668 207117575 /nfs/dbraw/zinc/11/75/75/207117575.db2.gz NXFMUINWRXPHBE-INIZCTEOSA-N 1 0 381.455 2.396 40 0 GEABRO O=C(Cn1cnc2ccccc21)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019376673 207119943 /nfs/dbraw/zinc/11/99/43/207119943.db2.gz VOAHPAFRPWZNKO-GOSISDBHSA-N 1 0 376.464 2.226 40 0 GEABRO O=C(CCc1nc2ccccc2[nH]1)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019375816 207120279 /nfs/dbraw/zinc/12/02/79/207120279.db2.gz XTMFSLZNPCVWRG-OAHLLOKOSA-N 1 0 390.491 2.337 40 0 GEABRO CCc1nccn1C[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019523566 207128183 /nfs/dbraw/zinc/12/81/83/207128183.db2.gz JASRDWKQRXYGAB-YJBOKZPZSA-N 1 0 382.512 2.271 40 0 GEABRO COc1ccc(OC)c(CC(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)c1 ZINC000019551326 207130390 /nfs/dbraw/zinc/13/03/90/207130390.db2.gz HAFOSKQABJUWEF-UHFFFAOYSA-N 1 0 396.491 2.088 40 0 GEABRO 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GEABRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCCC2)ccc1N1CCCC1=O ZINC000030871964 207378044 /nfs/dbraw/zinc/37/80/44/207378044.db2.gz SIYLQDMNDFYYPB-UHFFFAOYSA-N 1 0 379.526 2.276 40 0 GEABRO O=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1)[C@H]1CCC[NH2+]1 ZINC000035191211 207483929 /nfs/dbraw/zinc/48/39/29/207483929.db2.gz WJWZGSZGTDQYAC-OAHLLOKOSA-N 1 0 385.295 2.464 40 0 GEABRO CSc1ccc([C@@H]2NC(=[NH+]C[C@H]3CCCO3)Nc3nc(C)cc(=O)n32)cc1 ZINC000104138233 533002901 /nfs/dbraw/zinc/00/29/01/533002901.db2.gz MVTLZSLAZSQWFV-RHSMWYFYSA-N 1 0 385.493 2.371 40 0 GEABRO Cn1c(C(=O)N2CCC(c3nnc4n3CC[N@@H+](C)C4)CC2)cc2cc(F)ccc21 ZINC000072372072 208006168 /nfs/dbraw/zinc/00/61/68/208006168.db2.gz PBZRZYJDZDIUBH-UHFFFAOYSA-N 1 0 396.470 2.374 40 0 GEABRO CC(=O)N1CCc2nc(C3CC[NH+](C)CC3)nc(NC[C@@]3(C)CCCO3)c2C1 ZINC000072372168 208006405 /nfs/dbraw/zinc/00/64/05/208006405.db2.gz MEXZFNVOVZUJOS-OAQYLSRUSA-N 1 0 387.528 2.171 40 0 GEABRO Cc1cnc(CNC(=O)[C@H]2C[C@]3(CO2)c2ccccc2C[N@H+]3CC2CC2)cn1 ZINC000096143904 208271937 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GEABRO O=C1N(CC2CC2)CCO[C@@]12C[N@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306128785 209099829 /nfs/dbraw/zinc/09/98/29/209099829.db2.gz HKJNKNPWEYEKEQ-IFMALSPDSA-N 1 0 378.476 2.084 40 0 GEABRO O=C(NCc1ccccc1)c1nnc2n1CC[C@H]1C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306127142 209097859 /nfs/dbraw/zinc/09/78/59/209097859.db2.gz FPJGOIKLVHSQPR-WMZOPIPTSA-N 1 0 377.448 2.420 40 0 GEABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@H]1CC[N@H+](CC3CCCC3)C[C@H]21 ZINC000306126083 209097730 /nfs/dbraw/zinc/09/77/30/209097730.db2.gz DLUNISKUZOQRQY-OALUTQOASA-N 1 0 380.492 2.063 40 0 GEABRO COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000247879598 209025966 /nfs/dbraw/zinc/02/59/66/209025966.db2.gz PQWMIRNCCGBIBD-SFHVURJKSA-N 1 0 376.497 2.142 40 0 GEABRO O=C(c1ccc(=O)[nH]c1)N1CCC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257201033 209053828 /nfs/dbraw/zinc/05/38/28/209053828.db2.gz AFWDMKFABGQBKM-QFIPXVFZSA-N 1 0 381.476 2.203 40 0 GEABRO CC(=O)N[C@]12CN(C(=O)c3ccccn3)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2 ZINC000257200258 209054101 /nfs/dbraw/zinc/05/41/01/209054101.db2.gz ACPMXAWSPFLLFO-SYYKKAFVSA-N 1 0 378.476 2.105 40 0 GEABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 ZINC000257216724 209056933 /nfs/dbraw/zinc/05/69/33/209056933.db2.gz CVVNIDBYYPDBOY-JOCHJYFZSA-N 1 0 399.491 2.285 40 0 GEABRO CNc1cc(Nc2cc(CCC3CCN(C(=O)C[NH2+]C)CC3)ccn2)ncn1 ZINC000257217696 209057934 /nfs/dbraw/zinc/05/79/34/209057934.db2.gz DAEWESXOXYNCOU-UHFFFAOYSA-N 1 0 383.500 2.048 40 0 GEABRO CO[C@@H]1CCCC[C@@H](NC(=O)c2cccc(OCC[NH+]3CCCC3)c2)[C@H]1O ZINC000257269661 209064297 /nfs/dbraw/zinc/06/42/97/209064297.db2.gz MQVKKYXKWCMKGL-VAMGGRTRSA-N 1 0 376.497 2.210 40 0 GEABRO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000257262368 209062523 /nfs/dbraw/zinc/06/25/23/209062523.db2.gz LLDLWZPHTFPQCF-JOCHJYFZSA-N 1 0 397.523 2.173 40 0 GEABRO CCCN1CC[N@H+](CCC(N)=O)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257297734 209071476 /nfs/dbraw/zinc/07/14/76/209071476.db2.gz RIQIHUUQZXEIKI-FQEVSTJZSA-N 1 0 394.519 2.337 40 0 GEABRO Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC1CC[NH+](C)CC1 ZINC000219163919 136204138 /nfs/dbraw/zinc/20/41/38/136204138.db2.gz TWILQGUDXFVZQH-UHFFFAOYSA-N 1 0 399.516 2.381 40 0 GEABRO COCc1ccc(OC)c(CN2CCC3(C[C@@H](NC(C)=O)C[N@@H+]3C)CC2)c1 ZINC000257333074 209079132 /nfs/dbraw/zinc/07/91/32/209079132.db2.gz YAALLSMETNTRGK-LJQANCHMSA-N 1 0 375.513 2.016 40 0 GEABRO COc1ccccc1C[N@H+]1C[C@@H]2CC[C@@](O)(c3cnc(OC)nc3OC)[C@@H]2C1 ZINC000072392578 222248516 /nfs/dbraw/zinc/24/85/16/222248516.db2.gz MTBWRQJNNLZIOO-AVBTWRTFSA-N 1 0 385.464 2.232 40 0 GEABRO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013670372 524180941 /nfs/dbraw/zinc/18/09/41/524180941.db2.gz BDWCPPIHYVMRKE-INIZCTEOSA-N 1 0 399.532 2.218 40 0 GEABRO COc1ccc(C[NH2+][C@@H]2[C@@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)cc1 ZINC000072321889 560077310 /nfs/dbraw/zinc/07/73/10/560077310.db2.gz FZIMBKXTHCNMFS-JOCBIADPSA-N 1 0 382.382 2.477 40 0 biogenic,in-vitro GEABRO CC(=O)N1CCC([N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3cccnc3)c4=O)C2)CC1 ZINC000005396584 560201648 /nfs/dbraw/zinc/20/16/48/560201648.db2.gz SCVPMJAFVHQECG-PKOBYXMFSA-N 1 0 392.503 2.340 40 0 biogenic,in-vitro GEABRO O=C(Cc1ccccc1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000585262306 570229912 /nfs/dbraw/zinc/22/99/12/570229912.db2.gz QWOLCGHQLPVPKP-SCPDWHHUSA-N 1 0 380.488 2.391 40 0 GEABRO COc1cccc(N2CCC(O)(C[N@@H+]3CC[C@@H]4NC(=O)CCCC[C@H]43)CC2)c1 ZINC000585283356 570251345 /nfs/dbraw/zinc/25/13/45/570251345.db2.gz NQOKGJCCSGAQCG-VQTJNVASSA-N 1 0 387.524 2.160 40 0 GEABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCC[C@@]3(C)[C@H]2CCCCN3C(C)=O)CC1 ZINC000585285160 570254440 /nfs/dbraw/zinc/25/44/40/570254440.db2.gz WIOQBBFFHRPXBJ-QUCCMNQESA-N 1 0 395.544 2.225 40 0 GEABRO Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@@]2(N)C[NH3+])cc1 ZINC000218228385 570328261 /nfs/dbraw/zinc/32/82/61/570328261.db2.gz KQFNUBBSMLSZKG-ULQDDVLXSA-N 1 0 395.322 2.353 40 0 GEABRO CC(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 ZINC000604381658 570352776 /nfs/dbraw/zinc/35/27/76/570352776.db2.gz JRLZOYMCXYXEOQ-QGZVFWFLSA-N 1 0 375.488 2.083 40 0 biogenic,in-vitro GEABRO Cn1ccnc1COc1ccc(C[NH2+]C[C@@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000257285718 570488688 /nfs/dbraw/zinc/48/86/88/570488688.db2.gz PILMKUZDIKICES-QFIPXVFZSA-N 1 0 393.491 2.125 40 0 GEABRO Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000224426285 570512658 /nfs/dbraw/zinc/51/26/58/570512658.db2.gz IYVWFLCMSKNNNW-UHFFFAOYSA-N 1 0 389.521 2.107 40 0 GEABRO Cc1ccc(C)c(N(CCCC(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000010539123 570571653 /nfs/dbraw/zinc/57/16/53/570571653.db2.gz LDSCLAQUAWEVRD-UHFFFAOYSA-N 1 0 395.569 2.452 40 0 GEABRO COc1ccc(C[N@@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H](C)O)cc1OC ZINC000012185587 570620459 /nfs/dbraw/zinc/62/04/59/570620459.db2.gz BWDMZJCBFBGWGB-HNNXBMFYSA-N 1 0 399.491 2.277 40 0 GEABRO CCc1nc(N2CCOCC2)ncc1C(=O)NC(C)(C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000012203255 570624844 /nfs/dbraw/zinc/62/48/44/570624844.db2.gz MLKAAXMRWRMEMG-MRXNPFEDSA-N 1 0 389.544 2.116 40 0 GEABRO Cc1cc(-c2cnn(CCNC(=O)C[NH+]3CCCC3)c2-c2ccc(C)nc2)on1 ZINC000012223169 570628534 /nfs/dbraw/zinc/62/85/34/570628534.db2.gz VWLGBFWNTKLWPX-UHFFFAOYSA-N 1 0 394.479 2.429 40 0 GEABRO O=C1CCc2cc(S(=O)(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2N1 ZINC000012362260 570646097 /nfs/dbraw/zinc/64/60/97/570646097.db2.gz MGDVKJBJWWPALH-QGZVFWFLSA-N 1 0 399.516 2.372 40 0 GEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000260763777 570703862 /nfs/dbraw/zinc/70/38/62/570703862.db2.gz GCUGVEYZFGGJNX-KRWDZBQOSA-N 1 0 381.542 2.078 40 0 GEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000260793415 570706459 /nfs/dbraw/zinc/70/64/59/570706459.db2.gz PDHQUJLPYLEFRS-RBUKOAKNSA-N 1 0 395.569 2.390 40 0 GEABRO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2C)c1 ZINC000013672582 570770827 /nfs/dbraw/zinc/77/08/27/570770827.db2.gz CTSKGSLZEDGZRR-UHFFFAOYSA-N 1 0 375.494 2.396 40 0 GEABRO C[NH+](C)CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000010111359 570781985 /nfs/dbraw/zinc/78/19/85/570781985.db2.gz JSJHBALZUYVXSM-UHFFFAOYSA-N 1 0 393.484 2.089 40 0 GEABRO Cc1ccc(C(=O)NCCC[NH+](C)C)cc1NS(=O)(=O)c1ccccc1 ZINC000010314689 570787829 /nfs/dbraw/zinc/78/78/29/570787829.db2.gz FINSRZZMJVUGCK-UHFFFAOYSA-N 1 0 375.494 2.477 40 0 GEABRO [NH3+][C@@]1(CO)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218218840 570817019 /nfs/dbraw/zinc/81/70/19/570817019.db2.gz JNNYBHRAKXTHCD-PMPSAXMXSA-N 1 0 382.279 2.079 40 0 GEABRO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@H]1C[C@H]2CC[C@@H]1C[C@]21NC(=O)c2ccccc2O1 ZINC000072339062 570879952 /nfs/dbraw/zinc/87/99/52/570879952.db2.gz QJLPKTAHBAJULL-FIEZJVDUSA-N 1 0 395.503 2.152 40 0 GEABRO COc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(Cc4cncs4)C3)C2)cc1 ZINC000585103835 570929035 /nfs/dbraw/zinc/92/90/35/570929035.db2.gz QOQHFAKAHDSUHF-HXUWFJFHSA-N 1 0 387.505 2.403 40 0 GEABRO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H](O)C4)C3)CC2)c1 ZINC000585104028 570929532 /nfs/dbraw/zinc/92/95/32/570929532.db2.gz KREWQSVFODBLGO-ROUUACIJSA-N 1 0 388.508 2.169 40 0 GEABRO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585104025 570929609 /nfs/dbraw/zinc/92/96/09/570929609.db2.gz KREWQSVFODBLGO-QZTJIDSGSA-N 1 0 388.508 2.169 40 0 GEABRO COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000585104255 570933110 /nfs/dbraw/zinc/93/31/10/570933110.db2.gz XKXYFKULURVXOL-SFHVURJKSA-N 1 0 376.497 2.142 40 0 GEABRO Cc1ccc(CC(=O)N2CCc3nc4n(c(=O)c3C2)[C@H](C[NH+](C)C)CCC4)cc1 ZINC000585110178 570939001 /nfs/dbraw/zinc/93/90/01/570939001.db2.gz SOABCSGVUFMZCL-SFHVURJKSA-N 1 0 394.519 2.118 40 0 GEABRO CCOC(=O)[C@@]12C[N@H+](CC)C[C@@H]1CN(C(=O)c1cn(C)nc1C(F)F)CCC2 ZINC000585108159 570940098 /nfs/dbraw/zinc/94/00/98/570940098.db2.gz HSGGGLIJFXFIAV-YJYMSZOUSA-N 1 0 398.454 2.095 40 0 GEABRO C[C@@H](C(=O)NCCC[NH+](C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000010111470 642357637 /nfs/dbraw/zinc/35/76/37/642357637.db2.gz HSBXMCUIWYNCHO-NSHDSACASA-N 1 0 396.340 2.216 40 0 GEABRO COCCN1C(=O)CC[C@@H](C(=O)N(C)CC[NH+](C)C)[C@@H]1c1ccccc1Cl ZINC000257234735 222760444 /nfs/dbraw/zinc/76/04/44/222760444.db2.gz GUWWMNSAWBXFCO-APWZRJJASA-N 1 0 395.931 2.286 40 0 GEABRO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(C[NH3+])NC(=O)OC(C)(C)C ZINC000218622897 532484394 /nfs/dbraw/zinc/48/43/94/532484394.db2.gz ZTGXNBPVGAEIBE-CKEIUWERSA-N 1 0 388.917 2.463 40 0 GEABRO C[N@@H+]1CCc2ncnc(-c3ccccc3)c2C[C@@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000306143326 209108657 /nfs/dbraw/zinc/10/86/57/209108657.db2.gz XYZHLJMGXQSIJE-QZTJIDSGSA-N 1 0 380.492 2.085 40 0 GEABRO COc1ccc(Nc2cc(-c3ccncc3)nc(NCC[NH+](C)C)n2)cc1F ZINC000328987063 206239398 /nfs/dbraw/zinc/23/93/98/206239398.db2.gz IAJNOUBDCZUVTM-UHFFFAOYSA-N 1 0 382.443 2.247 40 0 GEABRO C[NH+](C)CCNc1nc(Nc2ccc(O)cc2Cl)cc(C(F)(F)F)n1 ZINC000329015334 206241757 /nfs/dbraw/zinc/24/17/57/206241757.db2.gz NAIJJFGWXDBJBQ-UHFFFAOYSA-N 1 0 375.782 2.415 40 0 GEABRO CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@@]12CC[N@H+](Cc1ccoc1)C2 ZINC000306138827 209107205 /nfs/dbraw/zinc/10/72/05/209107205.db2.gz SIJBDXXWMWFXNU-NRFANRHFSA-N 1 0 398.511 2.024 40 0 GEABRO C[NH+](C)CCCNC(=S)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000010846898 206817925 /nfs/dbraw/zinc/81/79/25/206817925.db2.gz VYUNOPCSJZUPPK-UHFFFAOYSA-N 1 0 391.537 2.179 40 0 GEABRO COc1nc(C)c(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCCC2)c(OC)n1 ZINC000012360875 206888526 /nfs/dbraw/zinc/88/85/26/206888526.db2.gz TUGMCUMFKINOQF-MRXNPFEDSA-N 1 0 376.501 2.212 40 0 GEABRO C[C@@H](Oc1ccc(F)cc1)C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019080344 207101249 /nfs/dbraw/zinc/10/12/49/207101249.db2.gz TZBPOEFZATUAAD-HUUCEWRRSA-N 1 0 397.454 2.231 40 0 GEABRO COc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[NH2+]C4)C2)c1 ZINC000019078528 207101515 /nfs/dbraw/zinc/10/15/15/207101515.db2.gz XRIQTEXILICJDS-JKSUJKDBSA-N 1 0 396.491 2.304 40 0 GEABRO C[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019079395 207101672 /nfs/dbraw/zinc/10/16/72/207101672.db2.gz YMHBVCVUWNOPCP-GJZGRUSLSA-N 1 0 384.455 2.435 40 0 GEABRO Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)on1 ZINC000019119904 207103010 /nfs/dbraw/zinc/10/30/10/207103010.db2.gz RBTCMUYUTILMRH-MRXNPFEDSA-N 1 0 385.468 2.200 40 0 GEABRO Cc1ccc([C@@H](C)C(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3nccnc32)cc1 ZINC000019136346 207105112 /nfs/dbraw/zinc/10/51/12/207105112.db2.gz KKYGBOBXCODUDY-WBVHZDCISA-N 1 0 378.480 2.132 40 0 GEABRO Cc1cccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)c1 ZINC000019234690 207108531 /nfs/dbraw/zinc/10/85/31/207108531.db2.gz QXBNYHFMBJQXMZ-KRWDZBQOSA-N 1 0 380.492 2.015 40 0 GEABRO Cc1cccc([C@@H]2C[N@@H+](Cc3cnc(N(C)C)nc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236392 207109568 /nfs/dbraw/zinc/10/95/68/207109568.db2.gz HBEDJMBYPFICKP-PGRDOPGGSA-N 1 0 394.523 2.274 40 0 GEABRO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[nH]c(=O)c2C3)cc(OC)c1OC ZINC000019286341 207112795 /nfs/dbraw/zinc/11/27/95/207112795.db2.gz XYYPXKBNHJFUIC-CABCVRRESA-N 1 0 385.464 2.236 40 0 GEABRO Cn1cnc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)c1 ZINC000019290800 207113499 /nfs/dbraw/zinc/11/34/99/207113499.db2.gz XIXNYWHHMQNBIE-NSHGMRRFSA-N 1 0 388.537 2.451 40 0 GEABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)c2nccnc21 ZINC000019333529 207117389 /nfs/dbraw/zinc/11/73/89/207117389.db2.gz JQFCVBRKVPTXDD-OAHLLOKOSA-N 1 0 398.898 2.387 40 0 GEABRO [NH3+]Cc1ccc(C(=O)N2CCC[C@H](C3=NS(=O)(=O)c4ccccc4N3)C2)cc1 ZINC000019375659 207119892 /nfs/dbraw/zinc/11/98/92/207119892.db2.gz ROHYZDAJKHLPMJ-INIZCTEOSA-N 1 0 398.488 2.210 40 0 GEABRO NC(=O)Cn1cc(C[NH+]2CCN(CCOc3ccccc3)CC2)c2ccccc21 ZINC000019373528 207120163 /nfs/dbraw/zinc/12/01/63/207120163.db2.gz TYFDZMVCYFHEFN-UHFFFAOYSA-N 1 0 392.503 2.323 40 0 GEABRO CCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2OC)CC3)C1 ZINC000019498518 207124666 /nfs/dbraw/zinc/12/46/66/207124666.db2.gz LYZVGMXITKCSEW-MRXNPFEDSA-N 1 0 396.491 2.475 40 0 GEABRO C[C@H]1Cc2cc(C(=O)N3CC[C@@H](c4nn(CC[NH3+])c5ncccc45)C3)ccc2O1 ZINC000019497896 207124834 /nfs/dbraw/zinc/12/48/34/207124834.db2.gz VLDJHABXLAWJCN-GOEBONIOSA-N 1 0 391.475 2.343 40 0 GEABRO C[C@@H]1Cc2cc(C(=O)N3CC[C@H](c4nn(CC[NH3+])c5ncccc45)C3)ccc2O1 ZINC000019497897 207125936 /nfs/dbraw/zinc/12/59/36/207125936.db2.gz VLDJHABXLAWJCN-ZBFHGGJFSA-N 1 0 391.475 2.343 40 0 GEABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)c3cc4c(s3)CCCC4)C2)c2nccnc21 ZINC000019404389 207121399 /nfs/dbraw/zinc/12/13/99/207121399.db2.gz SGHBDURIAHWBPA-AWEZNQCLSA-N 1 0 396.520 2.355 40 0 GEABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@@H+]1CC1CC1 ZINC000019404204 207121563 /nfs/dbraw/zinc/12/15/63/207121563.db2.gz KGGISWQRLAXFAP-LJQANCHMSA-N 1 0 382.512 2.480 40 0 GEABRO CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCc4nnc(-c5ccncc5)n4[C@H]3C2)CC1 ZINC000019447789 207122534 /nfs/dbraw/zinc/12/25/34/207122534.db2.gz YXTJWDUBNNEGDH-MOPGFXCFSA-N 1 0 394.523 2.406 40 0 GEABRO COc1ccccc1CCC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000019569934 207137128 /nfs/dbraw/zinc/13/71/28/207137128.db2.gz DMJBCWAIRJKPMH-KRWDZBQOSA-N 1 0 393.491 2.266 40 0 GEABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CC[N@H+](C)C4)ncc3C2)n1 ZINC000019572975 207137449 /nfs/dbraw/zinc/13/74/49/207137449.db2.gz KBAKDEUPGAAYMF-DLBZAZTESA-N 1 0 382.512 2.245 40 0 GEABRO C[NH+](C)CCn1nc([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)c2nccnc21 ZINC000019583077 207140111 /nfs/dbraw/zinc/14/01/11/207140111.db2.gz OAISVDHRCZNZOF-MRXNPFEDSA-N 1 0 396.470 2.086 40 0 GEABRO COc1ccc(OC)c(CC(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019551382 207132108 /nfs/dbraw/zinc/13/21/08/207132108.db2.gz ZEVYNFAPMAPFDK-HNNXBMFYSA-N 1 0 396.491 2.088 40 0 GEABRO COc1ccc(CCC(=O)N2CC[C@H](c3nn(CC[NH3+])c4ncccc34)C2)cc1 ZINC000019554481 207132458 /nfs/dbraw/zinc/13/24/58/207132458.db2.gz NGKVRUYSWIXNOS-KRWDZBQOSA-N 1 0 393.491 2.347 40 0 GEABRO Cc1c(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cnn1C ZINC000019553986 207133096 /nfs/dbraw/zinc/13/30/96/207133096.db2.gz HTEMYUJIWJAACN-SFHVURJKSA-N 1 0 376.526 2.480 40 0 GEABRO Cc1nn(CCC(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c(C)c1C ZINC000019557059 207133339 /nfs/dbraw/zinc/13/33/39/207133339.db2.gz PPDWWYPFDIFSFP-UHFFFAOYSA-N 1 0 396.539 2.383 40 0 GEABRO CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)COC(C)C)CC2)cc(C)[nH+]1 ZINC000019697983 207148095 /nfs/dbraw/zinc/14/80/95/207148095.db2.gz ZTMOMHIEFNBLDU-HXUWFJFHSA-N 1 0 388.512 2.147 40 0 GEABRO Cc1onc(C(C)C)c1C(=O)N1CCc2nnc(C3CC[NH+](C)CC3)n2CC1 ZINC000019708991 207149913 /nfs/dbraw/zinc/14/99/13/207149913.db2.gz JGKXOAQKIUZOPE-UHFFFAOYSA-N 1 0 386.500 2.206 40 0 GEABRO COc1ccc(C(=O)N2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)cn1 ZINC000019583253 207140350 /nfs/dbraw/zinc/14/03/50/207140350.db2.gz DSQIKSVKHPURTD-INIZCTEOSA-N 1 0 394.479 2.026 40 0 GEABRO C[NH+]1CCN([C@H](CNC(=O)[C@@H]2OCOc3ccccc32)c2ccccc2)CC1 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PCCPNCHLBHQKNC-ACTFIFLWSA-N 1 0 381.476 2.330 40 0 GEABRO CCOCCOc1ccc(C[NH2+]C[C@@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000257305139 570488977 /nfs/dbraw/zinc/48/89/77/570488977.db2.gz SOPMSXBMKVZSFE-NRFANRHFSA-N 1 0 386.496 2.013 40 0 GEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000225422753 570572437 /nfs/dbraw/zinc/57/24/37/570572437.db2.gz ISOQQLFEIZJEHY-KRWDZBQOSA-N 1 0 381.542 2.321 40 0 GEABRO CC[NH+](CC)CCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NC ZINC000004134172 570618691 /nfs/dbraw/zinc/61/86/91/570618691.db2.gz GMJCFFQOWWXKFR-UHFFFAOYSA-N 1 0 376.526 2.185 40 0 GEABRO CCn1ncc(C[NH+]2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C ZINC000012222276 570628020 /nfs/dbraw/zinc/62/80/20/570628020.db2.gz OPJXBROGPLTNGO-LJQANCHMSA-N 1 0 389.525 2.154 40 0 GEABRO COc1ccc(C2(O)CC[NH+](CCNC(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000012291076 570632874 /nfs/dbraw/zinc/63/28/74/570632874.db2.gz OUHITYGFCOJYTP-UHFFFAOYSA-N 1 0 386.467 2.477 40 0 GEABRO CCOc1ccc(CCC(=O)NCCCN2CC[NH+](C)CC2)cc1OCC 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Cc1cc(C)cc(C(=O)N2CCc3nc4n(c(=O)c3C2)[C@@H](C[NH+](C)C)CCC4)c1 ZINC000585110222 570939171 /nfs/dbraw/zinc/93/91/71/570939171.db2.gz YLCFBNXJFPYFDG-GOSISDBHSA-N 1 0 394.519 2.498 40 0 GEABRO Cc1snnc1C(=O)N1CC[N@@H+]2C[C@@H](OCc3ccccc3F)C[C@@H]2C1 ZINC000585107950 570939804 /nfs/dbraw/zinc/93/98/04/570939804.db2.gz LHMLTRHEWFBVOT-CABCVRRESA-N 1 0 376.457 2.101 40 0 GEABRO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(-c3ccc(F)cc3)nc3ncnn31)C2 ZINC000036619240 570942986 /nfs/dbraw/zinc/94/29/86/570942986.db2.gz ZGOWCGLNPGMWLQ-MQVJKMGUSA-N 1 0 380.427 2.285 40 0 GEABRO CN(C(=O)c1ccc(OCCC[NH3+])cc1)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257231425 222759414 /nfs/dbraw/zinc/75/94/14/222759414.db2.gz GGQAQVMDOLBXQY-NJDAHSKKSA-N 1 0 384.476 2.457 40 0 GEABRO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CNC(C)=O)n(C)n2)cc1OC ZINC000008635509 291116376 /nfs/dbraw/zinc/11/63/76/291116376.db2.gz VKDBDFYXCCQBMM-JQHSSLGASA-N 1 0 398.507 2.418 40 0 biogenic,in-vitro GEABRO CCn1cc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306144578 209107868 /nfs/dbraw/zinc/10/78/68/209107868.db2.gz ZJFXWVNMDCRKAR-SJORKVTESA-N 1 0 391.479 2.051 40 0 GEABRO C[NH+](C)CCCNc1nc(NC(=O)c2cccc(N)c2)cc(-c2ccccc2)n1 ZINC000329067752 206243504 /nfs/dbraw/zinc/24/35/04/206243504.db2.gz YKTLHZHJDAAPOO-UHFFFAOYSA-N 1 0 390.491 2.186 40 0 GEABRO COc1ccccc1CN(CC[NH+](C)C)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000012325595 206886893 /nfs/dbraw/zinc/88/68/93/206886893.db2.gz QIQUPNVTUQIYPU-UHFFFAOYSA-N 1 0 394.475 2.065 40 0 GEABRO Cc1ccccc1C[N@H+]1CC[C@@]2(C1)Cn1c(nnc1C(=O)NCC(C)C)CN2C ZINC000306140193 209106097 /nfs/dbraw/zinc/10/60/97/209106097.db2.gz UMNVIGPUXNBBAA-JOCHJYFZSA-N 1 0 396.539 2.062 40 0 GEABRO Cc1cccc(C[NH+]2CCC3(CCc4nnc(C(=O)NC5CCC5)n4C3)CC2)n1 ZINC000306139805 209105802 /nfs/dbraw/zinc/10/58/02/209105802.db2.gz UBHHESUZPXOWAW-UHFFFAOYSA-N 1 0 394.523 2.492 40 0 GEABRO CC(=O)NCCn1nc([C@H]2CC[N@H+](Cc3cccc(F)c3)C2)c2nccnc21 ZINC000019021571 207100560 /nfs/dbraw/zinc/10/05/60/207100560.db2.gz YOKYOXCNKNPLQE-INIZCTEOSA-N 1 0 382.443 2.091 40 0 GEABRO CC(=O)NCCn1nc([C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)c2nccnc21 ZINC000019021566 207100918 /nfs/dbraw/zinc/10/09/18/207100918.db2.gz YOKYOXCNKNPLQE-MRXNPFEDSA-N 1 0 382.443 2.091 40 0 GEABRO Cn1nc(C(C)(C)C)cc1C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019083781 207103435 /nfs/dbraw/zinc/10/34/35/207103435.db2.gz ZRXKYKWLQQPLRH-CQSZACIVSA-N 1 0 382.512 2.173 40 0 GEABRO Cc1ccc2oc(C(=O)N3CC[C@@H](c4nn(CC[NH3+])c5nccnc45)C3)cc2c1 ZINC000019221261 207107003 /nfs/dbraw/zinc/10/70/03/207107003.db2.gz XZBAIFUDXZVBKE-CQSZACIVSA-N 1 0 390.447 2.469 40 0 GEABRO Cc1ccc(S(=O)(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)cc1F ZINC000019214509 207107478 /nfs/dbraw/zinc/10/74/78/207107478.db2.gz UKZQDRKLPVCIBF-UHFFFAOYSA-N 1 0 390.484 2.138 40 0 GEABRO COc1ccc2[nH]cc([C@H](O)C[NH+]3CCC(O)(Cn4ccnc4C)CC3)c2c1 ZINC000019287931 207112529 /nfs/dbraw/zinc/11/25/29/207112529.db2.gz YOMMAJNKDCDYBE-HXUWFJFHSA-N 1 0 384.480 2.242 40 0 GEABRO C[NH+](C)C[C@H]1[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 ZINC000019366211 207118732 /nfs/dbraw/zinc/11/87/32/207118732.db2.gz FFPATKGBQDEKQE-VXKWHMMOSA-N 1 0 394.515 2.490 40 0 GEABRO C[C@@H](CC(=O)N(C[C@H]1CCCO1)C1CC[NH+](C)CC1)n1nnc2ccccc21 ZINC000019455083 207124158 /nfs/dbraw/zinc/12/41/58/207124158.db2.gz LNNRUHNVYOAJHQ-FUHWJXTLSA-N 1 0 385.512 2.484 40 0 GEABRO C[C@H]1Cc2cc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CC[NH2+]C5)C3)ccc2O1 ZINC000019497930 207124468 /nfs/dbraw/zinc/12/44/68/207124468.db2.gz FWOWRNZPEXRRCB-GOEBONIOSA-N 1 0 378.476 2.466 40 0 GEABRO CCc1nc2ccccc2n1CC(=O)N1CC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019523261 207128471 /nfs/dbraw/zinc/12/84/71/207128471.db2.gz STNRDBMXSWLEPV-HNNXBMFYSA-N 1 0 390.491 2.051 40 0 GEABRO CCc1nc2ccccc2n1CC(=O)N1CC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019523260 207128800 /nfs/dbraw/zinc/12/88/00/207128800.db2.gz STNRDBMXSWLEPV-OAHLLOKOSA-N 1 0 390.491 2.051 40 0 GEABRO CCCc1cc(C(=O)N2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cs1 ZINC000019525239 207128902 /nfs/dbraw/zinc/12/89/02/207128902.db2.gz JDDRLAZZZPAIBA-ZDUSSCGKSA-N 1 0 384.509 2.429 40 0 GEABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccco1)Cc1cnc(N2CCOCC2)nc1 ZINC000019527200 207129455 /nfs/dbraw/zinc/12/94/55/207129455.db2.gz RMYVDNGCWPMSBE-IBGZPJMESA-N 1 0 385.512 2.393 40 0 GEABRO Cc1c2ccccc2oc1C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019566273 207135470 /nfs/dbraw/zinc/13/54/70/207135470.db2.gz PMIYRIXYCMRYSF-CQSZACIVSA-N 1 0 390.447 2.388 40 0 GEABRO COc1cccc(N2CCC[N@H+](Cc3ccnc(N4CCOCC4)n3)CC2)c1 ZINC000019565816 207135482 /nfs/dbraw/zinc/13/54/82/207135482.db2.gz XQGYSUHZGPRPFJ-UHFFFAOYSA-N 1 0 383.496 2.034 40 0 GEABRO COc1cccc2c1OC[C@@H](C(=O)N1CCC[C@H]1c1ncc3c(n1)CC[NH2+]C3)C2 ZINC000019568299 207136218 /nfs/dbraw/zinc/13/62/18/207136218.db2.gz AJSHHVCXIFMHTI-YJBOKZPZSA-N 1 0 394.475 2.046 40 0 GEABRO Cc1cc(F)ccc1S(=O)(=O)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019571546 207136852 /nfs/dbraw/zinc/13/68/52/207136852.db2.gz OGVTUDYBDKRTIW-UHFFFAOYSA-N 1 0 390.484 2.138 40 0 GEABRO Cc1onc(-c2cccnc2)c1C(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019579703 207139295 /nfs/dbraw/zinc/13/92/95/207139295.db2.gz JZUMZJSCCLALAT-KRWDZBQOSA-N 1 0 390.447 2.458 40 0 GEABRO CN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019581314 207139402 /nfs/dbraw/zinc/13/94/02/207139402.db2.gz CMKICBFHIHPLOV-RTBURBONSA-N 1 0 379.508 2.381 40 0 GEABRO Cc1oc2c(c1C(=O)NCCn1nc([C@H]3CC[NH2+]C3)c3nccnc31)CCCC2 ZINC000019581365 207139866 /nfs/dbraw/zinc/13/98/66/207139866.db2.gz GVDYIMURPCOJEK-AWEZNQCLSA-N 1 0 394.479 2.113 40 0 GEABRO Cc1c(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NCc4ccncc4)on3)C2)cnn1C ZINC000019553702 207132542 /nfs/dbraw/zinc/13/25/42/207132542.db2.gz HGTZIAQQGKTBSM-QGZVFWFLSA-N 1 0 394.479 2.421 40 0 GEABRO COc1ccc(OC)c(CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019551380 207132858 /nfs/dbraw/zinc/13/28/58/207132858.db2.gz ZEVYNFAPMAPFDK-OAHLLOKOSA-N 1 0 396.491 2.088 40 0 GEABRO COc1ccccc1[C@H](CNC(=O)c1cccn2nnnc12)[NH+]1CCCCC1 ZINC000019661817 207147265 /nfs/dbraw/zinc/14/72/65/207147265.db2.gz VHMXRRSNZQCUFJ-KRWDZBQOSA-N 1 0 380.452 2.090 40 0 GEABRO CC(=O)N1CCC[C@H]1c1cc(N2CCN(C(=O)c3c[nH]nc3C)CC2)cc(C)[nH+]1 ZINC000019698031 207147943 /nfs/dbraw/zinc/14/79/43/207147943.db2.gz KRCZQMJAHNSICF-FQEVSTJZSA-N 1 0 396.495 2.067 40 0 GEABRO Cc1ccc(CC(=O)N2CCC(c3nnc4n3CC[N@@H+](C)CC4)CC2)cc1C ZINC000019709426 207149991 /nfs/dbraw/zinc/14/99/91/207149991.db2.gz JIMXRKOYAPSMAT-UHFFFAOYSA-N 1 0 381.524 2.332 40 0 GEABRO C[N@@H+]1CC[C@H](c2ncc3c(n2)CCN(C(=O)CCn2ncc4ccccc42)C3)C1 ZINC000019587949 207140319 /nfs/dbraw/zinc/14/03/19/207140319.db2.gz AWRYLAGGEVOOFV-KRWDZBQOSA-N 1 0 390.491 2.220 40 0 GEABRO COc1ccccc1C[NH+]1CCC(c2nnc3n2CCN(C(C)=O)CC3)CC1 ZINC000019708969 207150656 /nfs/dbraw/zinc/15/06/56/207150656.db2.gz HXMUMNSOVWTTBV-UHFFFAOYSA-N 1 0 383.496 2.071 40 0 GEABRO O=C(CCCc1ccc(F)cc1)N1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709232 207151151 /nfs/dbraw/zinc/15/11/51/207151151.db2.gz MPQJVYCNOPVOJY-QGZVFWFLSA-N 1 0 385.487 2.292 40 0 GEABRO CNc1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)CC(=O)Nc2ccc(OC)cc2)n1 ZINC000019709972 207152416 /nfs/dbraw/zinc/15/24/16/207152416.db2.gz MGLAQGLNJKGQLF-OAHLLOKOSA-N 1 0 398.511 2.064 40 0 GEABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(CC(=O)Nc1ccc(F)cc1)C2 ZINC000019711290 207152977 /nfs/dbraw/zinc/15/29/77/207152977.db2.gz KMHJFDHEIJYANL-UHFFFAOYSA-N 1 0 398.486 2.121 40 0 GEABRO COCC[N@@H+]1CC[C@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 ZINC000019753100 207158996 /nfs/dbraw/zinc/15/89/96/207158996.db2.gz CEIFQWXGRXBZNP-KRWDZBQOSA-N 1 0 384.480 2.159 40 0 GEABRO CN(C)C(=O)c1cn(C)nc1CC1CC[NH+](Cc2cccnc2N(C)C)CC1 ZINC000019752168 207159409 /nfs/dbraw/zinc/15/94/09/207159409.db2.gz IRUKBIFTXDRSMR-UHFFFAOYSA-N 1 0 384.528 2.038 40 0 GEABRO COCCNC(=O)c1cc([C@@H]2CC[N@H+](Cc3ccnn3C)C2)nc2ccccc21 ZINC000019762690 207160852 /nfs/dbraw/zinc/16/08/52/207160852.db2.gz LHSSJCNBLCKGJB-MRXNPFEDSA-N 1 0 393.491 2.334 40 0 GEABRO C[NH+]1CCN(CCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000030865555 207375222 /nfs/dbraw/zinc/37/52/22/207375222.db2.gz UKYKHFPMGDRMLJ-UHFFFAOYSA-N 1 0 389.521 2.395 40 0 GEABRO O=C(NCCCN1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030944485 207377061 /nfs/dbraw/zinc/37/70/61/207377061.db2.gz BHYNQDRLIAMCBJ-SFHVURJKSA-N 1 0 379.932 2.391 40 0 GEABRO CN(C)c1cc(C[C@H]2CN(C(=O)CCc3ccccc3)CC[N@H+](C)C2)ncn1 ZINC000072355103 208001763 /nfs/dbraw/zinc/00/17/63/208001763.db2.gz CWMHPAWCEPUJPG-LJQANCHMSA-N 1 0 381.524 2.108 40 0 GEABRO C[N@@H+]1CCn2c(nnc2C2CCN(C(=O)c3cccc(N4CCCC4)c3)CC2)C1 ZINC000072372078 208005034 /nfs/dbraw/zinc/00/50/34/208005034.db2.gz KJJDGHOSGYMFIJ-UHFFFAOYSA-N 1 0 394.523 2.344 40 0 GEABRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373072 208005139 /nfs/dbraw/zinc/00/51/39/208005139.db2.gz LMOUBAQJRCJSPG-KSZLIROESA-N 1 0 386.540 2.264 40 0 GEABRO Cc1ccccc1OCCCC(=O)N1CCc2nnc([C@H]3CCC[NH2+]C3)n2CC1 ZINC000072370905 208005926 /nfs/dbraw/zinc/00/59/26/208005926.db2.gz YMVDIRZAVIBXDU-SFHVURJKSA-N 1 0 397.523 2.297 40 0 GEABRO Cc1cc(-c2cncnc2)cc(C2CC[NH+](CCC(=O)N3CCOCC3)CC2)n1 ZINC000072374076 208007641 /nfs/dbraw/zinc/00/76/41/208007641.db2.gz LUNNYDMNIXUQDL-UHFFFAOYSA-N 1 0 395.507 2.275 40 0 GEABRO Cc1cccc(CS(=O)(=O)N2CCCC[C@@H]2c2nnc3n2CC[N@@H+](C)C3)c1 ZINC000072374004 208010027 /nfs/dbraw/zinc/01/00/27/208010027.db2.gz NRJGFZVNFHOFEP-QGZVFWFLSA-N 1 0 389.525 2.089 40 0 GEABRO O=C([C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccsc3)CC2)O1)N1CCCC1 ZINC000096036819 208255186 /nfs/dbraw/zinc/25/51/86/208255186.db2.gz UCWXJVOVVHEFLV-QGZVFWFLSA-N 1 0 386.521 2.457 40 0 GEABRO Cn1cc(-c2ccc3ccc(-n4ccc(C(=O)NCCC[NH+](C)C)n4)n3c2)cn1 ZINC000096038118 208255458 /nfs/dbraw/zinc/25/54/58/208255458.db2.gz RQJOXUOGQQWYGX-UHFFFAOYSA-N 1 0 391.479 2.207 40 0 GEABRO C[NH+](C)CCN1CCOCC12CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000096074644 208257733 /nfs/dbraw/zinc/25/77/33/208257733.db2.gz HSGLEDNDVWAJGT-UHFFFAOYSA-N 1 0 382.508 2.103 40 0 GEABRO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC(=O)N(C)C)C2)cc1 ZINC000096056959 208258244 /nfs/dbraw/zinc/25/82/44/208258244.db2.gz YXFARMYOVNERCI-CTNGQTDRSA-N 1 0 376.497 2.171 40 0 GEABRO CN(C)c1nc2c(cc1C(=O)NCC1CC1)CC[N@H+](Cc1cccnc1)CC2 ZINC000096260365 208295170 /nfs/dbraw/zinc/29/51/70/208295170.db2.gz JCGFMSBWYPZURS-UHFFFAOYSA-N 1 0 379.508 2.283 40 0 GEABRO CN(C)c1nc2c(cc1C(=O)NCC1CC1)CC[N@H+](Cc1ccccn1)CC2 ZINC000096260364 208296037 /nfs/dbraw/zinc/29/60/37/208296037.db2.gz BBHKCWJXEHLPHB-UHFFFAOYSA-N 1 0 379.508 2.283 40 0 GEABRO CC(C)C[N@@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)NCc4ccccc4)CC3)[C@@H]2C1 ZINC000096262225 208298584 /nfs/dbraw/zinc/29/85/84/208298584.db2.gz AEIOOKDJCYPDMX-VQTJNVASSA-N 1 0 398.551 2.407 40 0 GEABRO COCC[N@@H+]1CC[C@@H](c2nnc3ccc(C(=O)NCc4cccc(F)c4)cn32)C1 ZINC000096267481 208299672 /nfs/dbraw/zinc/29/96/72/208299672.db2.gz YXGNJJGINVNLHS-MRXNPFEDSA-N 1 0 397.454 2.234 40 0 GEABRO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@H+](Cc3cccnc3)C2)cc1 ZINC000306141691 209105301 /nfs/dbraw/zinc/10/53/01/209105301.db2.gz WEDNOTHWPWUMCM-JOCHJYFZSA-N 1 0 389.459 2.256 40 0 GEABRO CCc1ccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@@H]3C2)cc1 ZINC000306136717 209104885 /nfs/dbraw/zinc/10/48/85/209104885.db2.gz QAZNRAQWVGHYLK-MSOLQXFVSA-N 1 0 379.508 2.427 40 0 GEABRO CCc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@@H]3C2)cc1 ZINC000306136719 209104472 /nfs/dbraw/zinc/10/44/72/209104472.db2.gz QAZNRAQWVGHYLK-ROUUACIJSA-N 1 0 379.508 2.427 40 0 GEABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccco3)C[C@@H]1C2 ZINC000306136262 209104106 /nfs/dbraw/zinc/10/41/06/209104106.db2.gz POFZABSUTNSGAE-DLBZAZTESA-N 1 0 377.448 2.105 40 0 GEABRO Cn1cc(C[NH2+][C@H]2CCc3nc(N4CCN(C)CC4)ncc3C2)c2ccccc21 ZINC000306137461 209104223 /nfs/dbraw/zinc/10/42/23/209104223.db2.gz QXCYRQVPCOUFPR-IBGZPJMESA-N 1 0 390.535 2.367 40 0 GEABRO Cn1cc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cn(-c4ccccc4)nc23)cn1 ZINC000306130244 209099251 /nfs/dbraw/zinc/09/92/51/209099251.db2.gz IZVKQPCECKMPEZ-UHFFFAOYSA-N 1 0 390.491 2.225 40 0 GEABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4ccoc4)C[C@H]2C3)cc1 ZINC000306123995 209097188 /nfs/dbraw/zinc/09/71/88/209097188.db2.gz BCNRAKGNECZNCV-HZPDHXFCSA-N 1 0 393.447 2.436 40 0 GEABRO CC[NH+]1CCC(C(=O)N2CC3(C2)C[C@H](OCc2ccccn2)CS3)CC1 ZINC000249683465 209032768 /nfs/dbraw/zinc/03/27/68/209032768.db2.gz CUCQMOGLMWGMTE-SFHVURJKSA-N 1 0 375.538 2.417 40 0 GEABRO CC[NH+]1CCC(C(=O)N2CC3(C2)C[C@@H](OCc2cccnc2)CS3)CC1 ZINC000249697941 209033429 /nfs/dbraw/zinc/03/34/29/209033429.db2.gz VKOBVNKRAHKNLE-GOSISDBHSA-N 1 0 375.538 2.417 40 0 GEABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)CCC3CCCC3)CC2)CC1 ZINC000257222885 209057678 /nfs/dbraw/zinc/05/76/78/209057678.db2.gz DUZKFCOCYQURBF-QFIPXVFZSA-N 1 0 393.572 2.301 40 0 GEABRO C[NH+](C)[C@H]1CC2(CCN(C(=O)c3cc4cccc(F)c4[nH]3)CC2)OC[C@]1(C)O ZINC000257306692 209072276 /nfs/dbraw/zinc/07/22/76/209072276.db2.gz SVJYLZOLDVSVHA-PXNSSMCTSA-N 1 0 389.471 2.383 40 0 GEABRO COc1ccc(C[N@@H+]2CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C2)cc1CO ZINC000072389578 136169258 /nfs/dbraw/zinc/16/92/58/136169258.db2.gz VGQMWZHNBVIZPJ-OAHLLOKOSA-N 1 0 398.507 2.065 40 0 GEABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(N4CCOCC4)nc23)cc1 ZINC000096244147 136185583 /nfs/dbraw/zinc/18/55/83/136185583.db2.gz PQVAWKIWFNUNII-QFIPXVFZSA-N 1 0 380.492 2.296 40 0 GEABRO Cc1nc(N2CCOCC2)nc2c1COC[C@]21CC[N@H+](Cc2ccccc2)C1 ZINC000096244560 136185784 /nfs/dbraw/zinc/18/57/84/136185784.db2.gz ZOTWJXJJHGPZLZ-JOCHJYFZSA-N 1 0 380.492 2.296 40 0 GEABRO C[NH2+]CCOc1cccc(C(=O)N(C)[C@@H]2CCC[C@@H](n3ccnc3C)[C@@H]2O)c1 ZINC000257317783 209075182 /nfs/dbraw/zinc/07/51/82/209075182.db2.gz VLCWOSVQABSLMP-VAMGGRTRSA-N 1 0 386.496 2.016 40 0 GEABRO C[NH2+]CCOc1cccc(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c1 ZINC000257336971 209078112 /nfs/dbraw/zinc/07/81/12/209078112.db2.gz YQVVYWZLTHLCTK-NJDAHSKKSA-N 1 0 384.476 2.376 40 0 GEABRO COc1ccccc1OCC(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000072390785 222247393 /nfs/dbraw/zinc/24/73/93/222247393.db2.gz OHMUMGZTNMLIHX-QGZVFWFLSA-N 1 0 382.464 2.264 40 0 GEABRO C[N@@H+]1CC[C@@H](c2nn(CCNC(=O)COc3ccc(F)cc3)c3ncccc23)C1 ZINC000072391599 222248639 /nfs/dbraw/zinc/24/86/39/222248639.db2.gz WWPKBTCRTJORPD-OAHLLOKOSA-N 1 0 397.454 2.185 40 0 GEABRO COc1cccc(C(=O)N2CC[C@@H](c3nn(CC[NH+](C)C)c4nccnc34)C2)c1 ZINC000072391680 222249783 /nfs/dbraw/zinc/24/97/83/222249783.db2.gz QSGUYGJCSUCOIA-MRXNPFEDSA-N 1 0 394.479 2.026 40 0 GEABRO O[C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3)CC3(CN(CCc4ccccc4)C3)N2C1 ZINC000514290172 560030197 /nfs/dbraw/zinc/03/01/97/560030197.db2.gz UYIXMYFEALTNHT-DHIUTWEWSA-N 1 0 377.532 2.235 40 0 biogenic,in-vitro GEABRO O[C@@H]1C[C@H]2C[N@H+](Cc3ccccc3)CC3(CN(CCc4ccccc4)C3)N2C1 ZINC000514290175 560030328 /nfs/dbraw/zinc/03/03/28/560030328.db2.gz UYIXMYFEALTNHT-XZOQPEGZSA-N 1 0 377.532 2.235 40 0 biogenic,in-vitro GEABRO c1c(CC2(NCc3ccc4c(c3)OCO4)COC2)noc1C[NH+]1CCCCC1 ZINC000072321962 560076370 /nfs/dbraw/zinc/07/63/70/560076370.db2.gz XYCLDOHBKDYANW-UHFFFAOYSA-N 1 0 385.464 2.491 40 0 biogenic,in-vitro GEABRO CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccnc(N3CCC(C(N)=O)CC3)c2)no1 ZINC000035424705 560081125 /nfs/dbraw/zinc/08/11/25/560081125.db2.gz BQKLWZWRADQZRN-INIZCTEOSA-N 1 0 384.484 2.380 40 0 biogenic,in-vitro GEABRO COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[NH+](C)C)cc1 ZINC000585262182 570229566 /nfs/dbraw/zinc/22/95/66/570229566.db2.gz NQRAOGVTGPNGOE-ZRNYENFQSA-N 1 0 388.439 2.075 40 0 GEABRO COc1cccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCCCO)cc2)c1 ZINC000585269788 570238649 /nfs/dbraw/zinc/23/86/49/570238649.db2.gz JKNOHLGYKDLCJA-GOSISDBHSA-N 1 0 375.465 2.328 40 0 GEABRO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCCCO)cc2)cc1 ZINC000585270493 570239056 /nfs/dbraw/zinc/23/90/56/570239056.db2.gz XVANBVKHJSRQGK-GOSISDBHSA-N 1 0 375.465 2.328 40 0 GEABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585283520 570251902 /nfs/dbraw/zinc/25/19/02/570251902.db2.gz RNHBMOMLPLTHEN-OAQYLSRUSA-N 1 0 392.496 2.058 40 0 GEABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@@](O)(COc3ccccc3C)C2)CC1 ZINC000585288162 570259060 /nfs/dbraw/zinc/25/90/60/570259060.db2.gz YEKQWNINRLEPEC-OAQYLSRUSA-N 1 0 392.496 2.058 40 0 GEABRO CCOC(=O)[C@H]1C[C@@H]2[C@@H](CCCC[C@H]2[NH3+])N1S(=O)(=O)c1ccc(C)cc1 ZINC000212417606 570277372 /nfs/dbraw/zinc/27/73/72/570277372.db2.gz TYPMIHQCXOEJSM-BSDSXHPESA-N 1 0 380.510 2.207 40 0 GEABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000242538929 570343886 /nfs/dbraw/zinc/34/38/86/570343886.db2.gz JIFCIRQKSVAIOQ-QWFCFKBJSA-N 1 0 389.473 2.143 40 0 GEABRO c1ccc(CCn2nnnc2[C@@H](c2cccnc2)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000022584626 570348259 /nfs/dbraw/zinc/34/82/59/570348259.db2.gz XYYWYLNMDXRUDO-NHCUHLMSSA-N 1 0 389.507 2.180 40 0 GEABRO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)cc1OC ZINC000012085354 570606326 /nfs/dbraw/zinc/60/63/26/570606326.db2.gz OZJOLXZBISSDSA-MRXNPFEDSA-N 1 0 395.467 2.060 40 0 GEABRO O=C(Cn1ccc(=O)c2cc(F)ccc21)N1CCN(Cc2ccccc2)CC1 ZINC000225751897 570613309 /nfs/dbraw/zinc/61/33/09/570613309.db2.gz XIIANERUSDCQQO-UHFFFAOYSA-N 1 0 379.435 2.485 40 0 GEABRO COCCNC(=S)N(CC[NH+](C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004133509 570618281 /nfs/dbraw/zinc/61/82/81/570618281.db2.gz XPYWGLVWIXHFHU-UHFFFAOYSA-N 1 0 390.553 2.029 40 0 GEABRO Cc1c(C(=O)NCCC[NH+]2Cc3ccccc3C2)sc2ncn(C)c(=O)c12 ZINC000012193338 570622084 /nfs/dbraw/zinc/62/20/84/570622084.db2.gz RSBGPXFRBODGSW-UHFFFAOYSA-N 1 0 382.489 2.439 40 0 GEABRO O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000222365377 570726926 /nfs/dbraw/zinc/72/69/26/570726926.db2.gz XVFDNPQFWIJIKA-RTXPOLOASA-N 1 0 387.439 2.113 40 0 GEABRO Cc1cccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)c1C ZINC000013668136 570770016 /nfs/dbraw/zinc/77/00/16/570770016.db2.gz HDPJHICFTCKCMH-UHFFFAOYSA-N 1 0 381.542 2.062 40 0 GEABRO Clc1ncccc1-c1noc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000013996436 570869505 /nfs/dbraw/zinc/86/95/05/570869505.db2.gz QNQVNKPPBHQDTQ-CQSZACIVSA-N 1 0 377.876 2.329 40 0 GEABRO c1ccc(CCn2nnnc2[C@H](c2cccnc2)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000019371456 570925265 /nfs/dbraw/zinc/92/52/65/570925265.db2.gz XYYWYLNMDXRUDO-RTWAWAEBSA-N 1 0 389.507 2.180 40 0 GEABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218597112 570931063 /nfs/dbraw/zinc/93/10/63/570931063.db2.gz XAQVGHYQAQGCHN-LNLFQRSKSA-N 1 0 377.437 2.274 40 0 GEABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218596965 570931140 /nfs/dbraw/zinc/93/11/40/570931140.db2.gz XAQVGHYQAQGCHN-AOIWGVFYSA-N 1 0 377.437 2.274 40 0 GEABRO C[N@@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)c3ccnc(F)c3)C2)C1 ZINC000585102983 570931488 /nfs/dbraw/zinc/93/14/88/570931488.db2.gz NTQKUEOXZJTZJB-WIYYLYMNSA-N 1 0 384.455 2.226 40 0 GEABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CC[C@@H](O)C4)C3)CC2)cc1F ZINC000585104841 570934185 /nfs/dbraw/zinc/93/41/85/570934185.db2.gz UIAVPNBNWHEROA-MSOLQXFVSA-N 1 0 376.472 2.212 40 0 GEABRO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000585106088 570935859 /nfs/dbraw/zinc/93/58/59/570935859.db2.gz KSUGVXXFXRIEEW-UXHICEINSA-N 1 0 398.551 2.061 40 0 GEABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2scnc2C)CC1 ZINC000585106236 570936186 /nfs/dbraw/zinc/93/61/86/570936186.db2.gz GUFTUZBMZYQXDT-IMJJTQAJSA-N 1 0 390.553 2.293 40 0 GEABRO N[C@]1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000252515660 645565974 /nfs/dbraw/zinc/56/59/74/645565974.db2.gz MLALTAJACZOZPE-OAGGEKHMSA-N 1 0 381.295 2.045 40 0 GEABRO Cc1ccccc1C(=O)Nc1cc2c(cc1N1CC[NH+](C)CC1)n(C)c(=O)n2C ZINC000408534294 231054037 /nfs/dbraw/zinc/05/40/37/231054037.db2.gz QEJMNLGYYKJRCH-UHFFFAOYSA-N 1 0 393.491 2.190 40 0 GEABRO C[NH+]1CCN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000022830006 531592452 /nfs/dbraw/zinc/59/24/52/531592452.db2.gz CNPSRUUHHMVTSJ-UHFFFAOYSA-N 1 0 380.341 2.050 40 0 GEABRO CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@]1(C[NH3+])NC(=O)OC(C)(C)C ZINC000218621079 532483266 /nfs/dbraw/zinc/48/32/66/532483266.db2.gz ORHPMQATDKFAGE-GRDNDAEWSA-N 1 0 388.917 2.463 40 0 GEABRO C[N@@H+]1CCc2ncnc(-c3ccccc3)c2C[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000306143325 209108354 /nfs/dbraw/zinc/10/83/54/209108354.db2.gz XYZHLJMGXQSIJE-MSOLQXFVSA-N 1 0 380.492 2.085 40 0 GEABRO C[NH+](C)CCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccn2)n1 ZINC000328971283 206239609 /nfs/dbraw/zinc/23/96/09/206239609.db2.gz DPRIBNSHLCSTJB-UHFFFAOYSA-N 1 0 384.434 2.246 40 0 GEABRO Cc1ccc(C[N@H+]2C[C@H]3[C@H](CN(Cc4csc(C)n4)S3(=O)=O)C2)s1 ZINC000306141105 209106921 /nfs/dbraw/zinc/10/69/21/209106921.db2.gz VLLYTARBLFGMEH-BBRMVZONSA-N 1 0 383.564 2.467 40 0 GEABRO Cc1ccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)cc1 ZINC000019209475 207106397 /nfs/dbraw/zinc/10/63/97/207106397.db2.gz QYGYWBXQLOJJMH-KRWDZBQOSA-N 1 0 380.492 2.015 40 0 GEABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)c2nccnc21 ZINC000019293364 207115657 /nfs/dbraw/zinc/11/56/57/207115657.db2.gz YIYZHCAJRVKNRZ-OAHLLOKOSA-N 1 0 398.898 2.387 40 0 GEABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)c2nccnc21 ZINC000019333533 207116630 /nfs/dbraw/zinc/11/66/30/207116630.db2.gz JQFCVBRKVPTXDD-HNNXBMFYSA-N 1 0 398.898 2.387 40 0 GEABRO O=C(Cc1ccc2c(c1)OCCCO2)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019345695 207116635 /nfs/dbraw/zinc/11/66/35/207116635.db2.gz LHSQOPBOIXBFEV-GOSISDBHSA-N 1 0 394.475 2.190 40 0 GEABRO C[NH+](C)C[C@@H]1[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 ZINC000019366212 207118718 /nfs/dbraw/zinc/11/87/18/207118718.db2.gz FFPATKGBQDEKQE-YADHBBJMSA-N 1 0 394.515 2.490 40 0 GEABRO Cc1ccn(C[C@@H](C)C(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)n1 ZINC000019237917 207110993 /nfs/dbraw/zinc/11/09/93/207110993.db2.gz PQIDJKUVWZLQLT-OAHLLOKOSA-N 1 0 382.512 2.012 40 0 GEABRO COC[C@@H](C)NC(=O)CN1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019456644 207124180 /nfs/dbraw/zinc/12/41/80/207124180.db2.gz DFUXQPJSDNNILB-LKRGOLFISA-N 1 0 377.504 2.277 40 0 GEABRO C[C@H]1CN(C(=O)c2c[nH]nc2C2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000019497351 207125005 /nfs/dbraw/zinc/12/50/05/207125005.db2.gz UIUMOVFVZWOTHX-HOTGVXAUSA-N 1 0 383.496 2.434 40 0 GEABRO CCOc1ccccc1C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000019520158 207127579 /nfs/dbraw/zinc/12/75/79/207127579.db2.gz WNAMYMVQSARGCK-HNNXBMFYSA-N 1 0 379.464 2.337 40 0 GEABRO CCc1nccn1C[C@H](C)C(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019523568 207128104 /nfs/dbraw/zinc/12/81/04/207128104.db2.gz JASRDWKQRXYGAB-MAUKXSAKSA-N 1 0 382.512 2.271 40 0 GEABRO CCOc1ccc(CC(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019533036 207130966 /nfs/dbraw/zinc/13/09/66/207130966.db2.gz ZCDWHXYGFSFDHP-KRWDZBQOSA-N 1 0 380.492 2.470 40 0 GEABRO CCOc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[NH2+]C4)C2)cc1 ZINC000019532869 207130661 /nfs/dbraw/zinc/13/06/61/207130661.db2.gz XTPISIJWIOLZTB-QGZVFWFLSA-N 1 0 380.492 2.470 40 0 GEABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)c3csc4c3CCCC4)C2)c2nccnc21 ZINC000019404392 207122103 /nfs/dbraw/zinc/12/21/03/207122103.db2.gz REXMLKCZYGGUEJ-CYBMUJFWSA-N 1 0 396.520 2.355 40 0 GEABRO COc1ccc(CC(=O)N2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)cc1OC ZINC000019560517 207134281 /nfs/dbraw/zinc/13/42/81/207134281.db2.gz FPTCPPDTMIMYFW-GOSISDBHSA-N 1 0 396.491 2.436 40 0 GEABRO COc1ccc(CC(=O)N2CCc3nc(C4CC[NH2+]CC4)ncc3C2)cc1OC ZINC000019560533 207134707 /nfs/dbraw/zinc/13/47/07/207134707.db2.gz PTFVPVMGPFCTDN-UHFFFAOYSA-N 1 0 396.491 2.088 40 0 GEABRO Cc1n[nH]c(C)c1CC(=O)NCCn1nc(-c2ccccc2F)cc1C[NH+](C)C ZINC000019578827 207138445 /nfs/dbraw/zinc/13/84/45/207138445.db2.gz ZXRKEWFIEUTPDT-UHFFFAOYSA-N 1 0 398.486 2.450 40 0 GEABRO Cc1oc2c(c1C(=O)N(CCN1CCOCC1)C1CC[NH+](C)CC1)CCCC2 ZINC000019581162 207139487 /nfs/dbraw/zinc/13/94/87/207139487.db2.gz LUADXKRNMNUOOS-UHFFFAOYSA-N 1 0 389.540 2.335 40 0 GEABRO COc1cc(C[N@@H+]2CC[C@H](c3nnc(-c4cnccn4)o3)C2)cc2c1OCCO2 ZINC000019549942 207131263 /nfs/dbraw/zinc/13/12/63/207131263.db2.gz QXCKKWWZALUUAF-AWEZNQCLSA-N 1 0 395.419 2.296 40 0 GEABRO CCOc1ncccc1C(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019531383 207131553 /nfs/dbraw/zinc/13/15/53/207131553.db2.gz HRFZSAJFJDUNMA-UHFFFAOYSA-N 1 0 381.480 2.278 40 0 GEABRO Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)c(C)c1C ZINC000019556188 207131763 /nfs/dbraw/zinc/13/17/63/207131763.db2.gz VVMQTVLLXWFMFN-DYVFJYSZSA-N 1 0 382.512 2.211 40 0 GEABRO Cc1nn(C[C@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CC[NH2+]C4)C2)c(C)c1C ZINC000019556761 207131923 /nfs/dbraw/zinc/13/19/23/207131923.db2.gz XZYIUWJBSDJNMY-KSSFIOAISA-N 1 0 396.539 2.286 40 0 GEABRO Cc1nn(C[C@@H](C)C(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)c(C)c1C ZINC000019556703 207132516 /nfs/dbraw/zinc/13/25/16/207132516.db2.gz JWCKQPLPMVFOPS-CQSZACIVSA-N 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TVWWXTADVJXGQW-FCHUYYIVSA-N 1 0 393.531 2.201 40 0 biogenic,in-vitro GEABRO COCCNc1ccc(-c2noc([C@@H]3CCCN3C3CC[NH+](C)CC3)n2)cn1 ZINC000035425193 560080205 /nfs/dbraw/zinc/08/02/05/560080205.db2.gz KQQDRXXVSJHBEJ-KRWDZBQOSA-N 1 0 386.500 2.421 40 0 biogenic,in-vitro GEABRO COCCNc1cc(-c2noc([C@@H]3CCCN3C3CC[NH+](C)CC3)n2)ccn1 ZINC000035424556 560081155 /nfs/dbraw/zinc/08/11/55/560081155.db2.gz OAOZUSWVFGTHSP-KRWDZBQOSA-N 1 0 386.500 2.421 40 0 biogenic,in-vitro GEABRO CC1CC[NH+](C[C@H]2CN3CC[C@H]2C[C@@H]3CNS(=O)(=O)c2cccs2)CC1 ZINC000012602504 560213212 /nfs/dbraw/zinc/21/32/12/560213212.db2.gz YDURHWHKIOPUKK-OKZBNKHCSA-N 1 0 397.610 2.469 40 0 biogenic,in-vitro GEABRO COc1ccc(Nc2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)cc1OC ZINC000329051915 570215237 /nfs/dbraw/zinc/21/52/37/570215237.db2.gz UZGUAVJECRERLY-UHFFFAOYSA-N 1 0 385.390 2.074 40 0 GEABRO Cc1nc(C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)ncc1C(=O)N1CCCC1 ZINC000019765824 570217208 /nfs/dbraw/zinc/21/72/08/570217208.db2.gz 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GPAMENRAEFPQIU-LJQANCHMSA-N 1 0 395.507 2.378 40 0 GEABRO C[C@@H]1CCC[C@H]1OC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022917840 570962225 /nfs/dbraw/zinc/96/22/25/570962225.db2.gz FOOABQKFWPGKMA-NZSAHSFTSA-N 1 0 376.497 2.099 40 0 GEABRO C[C@@H]1CCC[C@@H]1OC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022917828 570962314 /nfs/dbraw/zinc/96/23/14/570962314.db2.gz FOOABQKFWPGKMA-NEWSRXKRSA-N 1 0 376.497 2.099 40 0 GEABRO C[NH+](C)CCNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000010111696 642357486 /nfs/dbraw/zinc/35/74/86/642357486.db2.gz LCGBPPWIOPSPSD-UHFFFAOYSA-N 1 0 396.340 2.217 40 0 GEABRO CS(=O)(=O)Oc1c(O)cc2c(c1Cl)CC[NH2+]C[C@H]2c1ccc(O)cc1 ZINC000117405751 643490777 /nfs/dbraw/zinc/49/07/77/643490777.db2.gz WOFIIEUMIDZJEJ-AWEZNQCLSA-N 1 0 383.853 2.367 40 0 GEABRO CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(c2ccccc2)CC1 ZINC000008636244 291113897 /nfs/dbraw/zinc/11/38/97/291113897.db2.gz XYNOWFLKYUJNNO-JAXLGGSGSA-N 1 0 399.583 2.227 40 0 biogenic,in-vitro GEABRO 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ZINC000096268077 208300417 /nfs/dbraw/zinc/30/04/17/208300417.db2.gz WPWHBPIUFWCOST-SFHVURJKSA-N 1 0 384.528 2.346 40 0 GEABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306134082 209102845 /nfs/dbraw/zinc/10/28/45/209102845.db2.gz NDCKPCVCHCONKN-JKSUJKDBSA-N 1 0 392.438 2.369 40 0 GEABRO CC[NH+]1CCC(N(CCCO)Cc2nc(-c3cccnc3Cl)no2)CC1 ZINC000013992518 208787607 /nfs/dbraw/zinc/78/76/07/208787607.db2.gz SILZYMTWGOTEEW-UHFFFAOYSA-N 1 0 379.892 2.454 40 0 GEABRO COCCN1CC[C@]2(C[N@H+](Cc3ccncc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306124325 209097173 /nfs/dbraw/zinc/09/71/73/209097173.db2.gz BMSLTEYOVUWYPU-SIKLNZKXSA-N 1 0 397.523 2.324 40 0 GEABRO COCC[N@H+](C)C[C@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc3[nH]cnc3c1)C2 ZINC000247954835 209028866 /nfs/dbraw/zinc/02/88/66/209028866.db2.gz CRVLWQCRQSUTKG-KKSFZXQISA-N 1 0 386.496 2.152 40 0 GEABRO c1csc(C[NH2+]C[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)n1 ZINC000096296432 209014358 /nfs/dbraw/zinc/01/43/58/209014358.db2.gz CUDMQVVZKRGUQN-AWEZNQCLSA-N 1 0 384.461 2.466 40 0 biogenic,in-vitro GEABRO CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000257221923 209056892 /nfs/dbraw/zinc/05/68/92/209056892.db2.gz DRDZVLLMVNZABJ-UHFFFAOYSA-N 1 0 383.496 2.114 40 0 GEABRO Cn1c(=O)c2ccc([C@@H]3CC[N@H+](Cc4ccc5[nH]ccc5c4)C3)nc2n(C)c1=O ZINC000257215737 209057486 /nfs/dbraw/zinc/05/74/86/209057486.db2.gz CRKUPYLRNRKARH-MRXNPFEDSA-N 1 0 389.459 2.103 40 0 GEABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCCCN2CCOCC2)c1 ZINC000257217096 209057653 /nfs/dbraw/zinc/05/76/53/209057653.db2.gz CXLDPFJOSBTOHT-UHFFFAOYSA-N 1 0 382.508 2.262 40 0 GEABRO [NH3+]CC(=O)N1CCC(c2ccnc(Nc3ncccc3C(F)(F)F)n2)CC1 ZINC000257246502 209059697 /nfs/dbraw/zinc/05/96/97/209059697.db2.gz IUJCNEJXFZXDFP-UHFFFAOYSA-N 1 0 380.374 2.299 40 0 GEABRO CC[N@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000257262369 209062506 /nfs/dbraw/zinc/06/25/06/209062506.db2.gz LLDLWZPHTFPQCF-QFIPXVFZSA-N 1 0 397.523 2.173 40 0 GEABRO COc1ccc(CN(C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3ccc(F)c(F)c3)[C@@H]2O)cc1 ZINC000257282167 209066630 /nfs/dbraw/zinc/06/66/30/209066630.db2.gz OSQSFRXUIGURNP-ZRNYENFQSA-N 1 0 378.419 2.313 40 0 GEABRO Cc1nc(N)sc1C(=O)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257285865 209069866 /nfs/dbraw/zinc/06/98/66/209069866.db2.gz PJGLMWGHJYWKHZ-INIZCTEOSA-N 1 0 388.484 2.122 40 0 GEABRO COc1ccccc1CN(C)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)c(F)c2)[C@@H]1O ZINC000257300332 209070475 /nfs/dbraw/zinc/07/04/75/209070475.db2.gz RTVXTTUSHADEIO-LMCOJAPRSA-N 1 0 378.419 2.313 40 0 GEABRO Cc1ccccc1C[N@@H+]1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1 ZINC000096251153 136185745 /nfs/dbraw/zinc/18/57/45/136185745.db2.gz DEQRQPUVGPBMHV-DENIHFKCSA-N 1 0 379.508 2.344 40 0 GEABRO CCCN1CC[N@H+](CCC(N)=O)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257322304 209077176 /nfs/dbraw/zinc/07/71/76/209077176.db2.gz WFKQXHYBDTYTCV-FQEVSTJZSA-N 1 0 394.519 2.337 40 0 GEABRO C[NH+](C)CCCNC(=O)[C@H]1C[C@@H]2CC[C@@]1(C)C[C@@]21Nc2ccccc2C(=O)N1 ZINC000072326962 222229350 /nfs/dbraw/zinc/22/93/50/222229350.db2.gz BNIJVJNTGTUGBB-WUVXFVIISA-N 1 0 384.524 2.432 40 0 GEABRO CCc1nn(CC(=O)NCCC[NH+]2CCC(C)CC2)c(=O)c2cc3occc3n21 ZINC000072346396 222232633 /nfs/dbraw/zinc/23/26/33/222232633.db2.gz RXVYNYHUSJOQIN-UHFFFAOYSA-N 1 0 399.495 2.043 40 0 GEABRO CC[NH+]1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 ZINC000225427117 560042860 /nfs/dbraw/zinc/04/28/60/560042860.db2.gz JYAIPZONCQCICW-UHFFFAOYSA-N 1 0 387.553 2.164 40 0 biogenic,in-vitro GEABRO COCCOc1cc(-c2noc([C@@H]3CCCN3C3CC[NH+](C)CC3)n2)ccn1 ZINC000035424795 560080419 /nfs/dbraw/zinc/08/04/19/560080419.db2.gz YLZXIQYSPMWZBQ-KRWDZBQOSA-N 1 0 387.484 2.388 40 0 biogenic,in-vitro GEABRO CN1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(-c3ccccc3)on2)CC1 ZINC000020504008 560093756 /nfs/dbraw/zinc/09/37/56/560093756.db2.gz MSQBSCJYDOTBEL-OALUTQOASA-N 1 0 382.508 2.274 40 0 biogenic,in-vitro GEABRO O[C@@H]1[C@@H](Oc2ccccc2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000012483187 560212160 /nfs/dbraw/zinc/21/21/60/560212160.db2.gz MNPVQXBKZKZFSV-QMCAAQAGSA-N 1 0 378.428 2.257 40 0 biogenic,in-vitro GEABRO COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000067870789 565117180 /nfs/dbraw/zinc/11/71/80/565117180.db2.gz NIHJNZRWNSXWFW-RJGXRXQPSA-N 1 0 399.579 2.414 40 0 biogenic,in-vitro GEABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585284928 570254309 /nfs/dbraw/zinc/25/43/09/570254309.db2.gz AXVSCUQQCWJISI-OAQYLSRUSA-N 1 0 392.496 2.058 40 0 GEABRO Cc1ccccc1CC[NH2+]C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585285891 570255183 /nfs/dbraw/zinc/25/51/83/570255183.db2.gz UXNOVOHZYBVCMB-LADGPHEKSA-N 1 0 396.531 2.084 40 0 GEABRO CCOc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Br)c1OCC ZINC000022076027 570321700 /nfs/dbraw/zinc/32/17/00/570321700.db2.gz YBYKFFGRSHPXDE-GFCCVEGCSA-N 1 0 375.307 2.307 40 0 GEABRO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCC(N)=O ZINC000022075686 570321802 /nfs/dbraw/zinc/32/18/02/570321802.db2.gz ZHRBCMQKETZOOT-INIZCTEOSA-N 1 0 378.856 2.426 40 0 GEABRO COc1cc(C[NH2+]CCN(C)C)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108312 570325668 /nfs/dbraw/zinc/32/56/68/570325668.db2.gz GAGZXULUWLBKJM-UHFFFAOYSA-N 1 0 396.495 2.210 40 0 GEABRO COC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022939734 570396417 /nfs/dbraw/zinc/39/64/17/570396417.db2.gz VUXJRJFQQYTVDK-HXUWFJFHSA-N 1 0 384.476 2.031 40 0 GEABRO COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+](C)C ZINC000223219524 570450480 /nfs/dbraw/zinc/45/04/80/570450480.db2.gz ZEMPRFRBVBQXHP-RBUKOAKNSA-N 1 0 387.553 2.454 40 0 GEABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@H](O)c2ccc3c(c2)OCCO3)C1 ZINC000036741281 570569228 /nfs/dbraw/zinc/56/92/28/570569228.db2.gz KXJZTRDAMYIGTO-AVRDEDQJSA-N 1 0 385.460 2.483 40 0 GEABRO O=c1ccc(-c2cccs2)nn1CC1(O)CC[NH+](Cc2ccncc2)CC1 ZINC000012144043 570615523 /nfs/dbraw/zinc/61/55/23/570615523.db2.gz YNJGEKLIJMQHQD-UHFFFAOYSA-N 1 0 382.489 2.394 40 0 GEABRO COCCNC(=S)N(CC[NH+](C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004133536 570618029 /nfs/dbraw/zinc/61/80/29/570618029.db2.gz ZVTXZFSUXBZLAU-UHFFFAOYSA-N 1 0 390.553 2.029 40 0 GEABRO CCc1ncc(C[N@@H+]2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)cn1 ZINC000012183463 570619736 /nfs/dbraw/zinc/61/97/36/570619736.db2.gz HWGIQRQENBJNPQ-DENIHFKCSA-N 1 0 383.540 2.114 40 0 GEABRO COc1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)ccc1OCC(N)=O ZINC000012240486 570629992 /nfs/dbraw/zinc/62/99/92/570629992.db2.gz UPBMRILTTJOMAL-UHFFFAOYSA-N 1 0 388.439 2.182 40 0 GEABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000044901916 570640861 /nfs/dbraw/zinc/64/08/61/570640861.db2.gz FZRWHRXVIASCTC-CALCHBBNSA-N 1 0 393.553 2.460 40 0 GEABRO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000047110570 570653214 /nfs/dbraw/zinc/65/32/14/570653214.db2.gz PDJHPIJDECRSCV-KRWDZBQOSA-N 1 0 393.553 2.323 40 0 GEABRO CC[C@@H](C(=O)NCC[NH+]1CCCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711802 570778102 /nfs/dbraw/zinc/77/81/02/570778102.db2.gz JJDGDTGUHIIMKN-SFHVURJKSA-N 1 0 381.542 2.223 40 0 GEABRO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000010111183 570781988 /nfs/dbraw/zinc/78/19/88/570781988.db2.gz OTLGXGCUAFFGBI-KRWDZBQOSA-N 1 0 381.542 2.223 40 0 GEABRO Cc1ccc(C)c(N([C@@H](C)C(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000010450171 570790898 /nfs/dbraw/zinc/79/08/98/570790898.db2.gz ZFKYYTMUIWDLMZ-KRWDZBQOSA-N 1 0 381.542 2.060 40 0 GEABRO C[NH+](C)CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010111596 570805931 /nfs/dbraw/zinc/80/59/31/570805931.db2.gz GJXVURLMKKUJOA-UHFFFAOYSA-N 1 0 395.912 2.213 40 0 GEABRO [NH3+][C@]1(CO)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218218929 570816855 /nfs/dbraw/zinc/81/68/55/570816855.db2.gz JNNYBHRAKXTHCD-OWCLPIDISA-N 1 0 382.279 2.079 40 0 GEABRO N[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218216604 570816989 /nfs/dbraw/zinc/81/69/89/570816989.db2.gz MLALTAJACZOZPE-HRCADAONSA-N 1 0 381.295 2.045 40 0 GEABRO N[C@@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218216689 570817033 /nfs/dbraw/zinc/81/70/33/570817033.db2.gz MLALTAJACZOZPE-JYJNAYRXSA-N 1 0 381.295 2.045 40 0 GEABRO Cc1ncsc1C[NH+]1CCC2(CC1)OCC[C@H]2CCOCC(=O)N(C)C ZINC000585105004 570934111 /nfs/dbraw/zinc/93/41/11/570934111.db2.gz NRIRGHBXJZSROR-MRXNPFEDSA-N 1 0 381.542 2.318 40 0 GEABRO CCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)C2(c3ccc(C)cc3)CC2)CC1 ZINC000585106174 570936003 /nfs/dbraw/zinc/93/60/03/570936003.db2.gz VCDGZZHDLYKKNV-UXHICEINSA-N 1 0 395.547 2.476 40 0 GEABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2csc(C)n2)CC1 ZINC000585106298 570936372 /nfs/dbraw/zinc/93/63/72/570936372.db2.gz PFJWKGGDFKKOGO-BMFZPTHFSA-N 1 0 390.553 2.293 40 0 GEABRO Cn1c2ccc(S(=O)(=O)NCCC[NH+]3CCCCCC3)cc2sc1=O ZINC000225676777 532486904 /nfs/dbraw/zinc/48/69/04/532486904.db2.gz MMTBNSYQQGYFBE-UHFFFAOYSA-N 1 0 383.539 2.144 40 0 GEABRO CCCn1c2ccc(S(=O)(=O)NCCC[NH+]3CCCC3)cc2sc1=O ZINC000225728451 532488086 /nfs/dbraw/zinc/48/80/86/532488086.db2.gz KFMFJPDPGJRWLG-UHFFFAOYSA-N 1 0 383.539 2.237 40 0 GEABRO COc1ncccc1C[N@@H+]1CC[C@@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 ZINC000306144232 209108409 /nfs/dbraw/zinc/10/84/09/209108409.db2.gz YZXFVRPWNKPCMQ-JOCHJYFZSA-N 1 0 389.459 2.256 40 0 GEABRO C[C@H](CO)Nc1nc(NCc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000329067261 206243590 /nfs/dbraw/zinc/24/35/90/206243590.db2.gz YHCPMIVXMZHOTJ-LLVKDONJSA-N 1 0 377.286 2.365 40 0 GEABRO CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000014710709 207026284 /nfs/dbraw/zinc/02/62/84/207026284.db2.gz GZXIPZWIPRSTAW-UHFFFAOYSA-N 1 0 387.505 2.437 40 0 GEABRO C[C@H](C(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1)n1cnc2ccccc21 ZINC000019079422 207100724 /nfs/dbraw/zinc/10/07/24/207100724.db2.gz BNZKZEKZRZPNDC-CVEARBPZSA-N 1 0 390.491 2.439 40 0 GEABRO C[C@@H](C(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2)N1CCCC1=O ZINC000019077469 207101732 /nfs/dbraw/zinc/10/17/32/207101732.db2.gz GGQJQQLFCOJWJI-GENZYMQKSA-N 1 0 385.508 2.319 40 0 GEABRO Cc1ccc(CC(=O)N2CC[C@@H](c3nn(CC[NH+](C)C)c4nccnc34)C2)cc1 ZINC000019209259 207106153 /nfs/dbraw/zinc/10/61/53/207106153.db2.gz CUIJCINLUKOSDS-GOSISDBHSA-N 1 0 392.507 2.255 40 0 GEABRO CC(=O)NCCn1nc([C@H]2CC[N@H+](Cc3ccccc3C)C2)c2nccnc21 ZINC000019237160 207111182 /nfs/dbraw/zinc/11/11/82/207111182.db2.gz VKUFHKQKNOFIKI-SFHVURJKSA-N 1 0 378.480 2.260 40 0 GEABRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019500950 207126470 /nfs/dbraw/zinc/12/64/70/207126470.db2.gz PHDAIIJSOBQNCM-AZUAARDMSA-N 1 0 399.539 2.309 40 0 GEABRO CCCc1cc(C(=O)N2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cs1 ZINC000019525238 207128198 /nfs/dbraw/zinc/12/81/98/207128198.db2.gz JDDRLAZZZPAIBA-CYBMUJFWSA-N 1 0 384.509 2.429 40 0 GEABRO COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1OC ZINC000019560520 207133974 /nfs/dbraw/zinc/13/39/74/207133974.db2.gz WCQNJKPUXZSCMW-KRWDZBQOSA-N 1 0 382.464 2.046 40 0 GEABRO Cc1c2ccccc2oc1C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019566276 207136210 /nfs/dbraw/zinc/13/62/10/207136210.db2.gz PMIYRIXYCMRYSF-AWEZNQCLSA-N 1 0 390.447 2.388 40 0 GEABRO COc1cccc2c1OC[C@H](C(=O)N1CCC[C@@H]1c1ncc3c(n1)CC[NH2+]C3)C2 ZINC000019568290 207136480 /nfs/dbraw/zinc/13/64/80/207136480.db2.gz AJSHHVCXIFMHTI-CRAIPNDOSA-N 1 0 394.475 2.046 40 0 GEABRO COc1ccccc1CCC(=O)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019569903 207136831 /nfs/dbraw/zinc/13/68/31/207136831.db2.gz RYFXOCUDYUUGBL-UHFFFAOYSA-N 1 0 380.492 2.470 40 0 GEABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@H]4CC[N@H+](C)C4)ncc3C2)n1 ZINC000019572981 207137825 /nfs/dbraw/zinc/13/78/25/207137825.db2.gz KBAKDEUPGAAYMF-IRXDYDNUSA-N 1 0 382.512 2.245 40 0 GEABRO Cc1cc(C)n(CCCC(=O)N2CCc3nc([C@@H]4CCC[N@@H+](C)C4)ncc3C2)n1 ZINC000019574121 207138623 /nfs/dbraw/zinc/13/86/23/207138623.db2.gz NKRDJEOXLXNEFB-GOSISDBHSA-N 1 0 396.539 2.464 40 0 GEABRO CN(C)c1ccc(C(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3cccnc32)cc1 ZINC000019584819 207138997 /nfs/dbraw/zinc/13/89/97/207138997.db2.gz WZJBFLPQNXHRPQ-INIZCTEOSA-N 1 0 378.480 2.004 40 0 GEABRO Cc1c2ccccc2oc1C(=O)N1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709243 207149781 /nfs/dbraw/zinc/14/97/81/207149781.db2.gz BPGHKGGNFLZPRW-HNNXBMFYSA-N 1 0 379.464 2.498 40 0 GEABRO COc1ccc(OCC(=O)N2CCc3nc([C@H]4CCC[N@H+](C)C4)ncc3C2)cc1 ZINC000019588585 207141279 /nfs/dbraw/zinc/14/12/79/207141279.db2.gz WOWGIGNPUCOSEU-INIZCTEOSA-N 1 0 396.491 2.258 40 0 GEABRO C[N@@H+]1CCc2nc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)ncc2C1 ZINC000019590587 207141677 /nfs/dbraw/zinc/14/16/77/207141677.db2.gz CBYOVILPSPURQQ-QGZVFWFLSA-N 1 0 376.457 2.129 40 0 GEABRO C[NH+]1CCN(CCCNc2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 ZINC000019590040 207141854 /nfs/dbraw/zinc/14/18/54/207141854.db2.gz FMGVCYWWQGNQLM-UHFFFAOYSA-N 1 0 379.468 2.243 40 0 GEABRO COc1ccccc1CCC(=O)N1CC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019590602 207142542 /nfs/dbraw/zinc/14/25/42/207142542.db2.gz QMGKZPBBPBPRPU-QGZVFWFLSA-N 1 0 380.492 2.422 40 0 GEABRO COc1cccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c1 ZINC000019590418 207142782 /nfs/dbraw/zinc/14/27/82/207142782.db2.gz LTWSGYBGFBCCJQ-QGZVFWFLSA-N 1 0 380.492 2.422 40 0 GEABRO Cc1nc2cc3c(cc2n1CC(=O)NC(C)(C)C[NH+]1CCCCC1)OCCO3 ZINC000019718227 207155428 /nfs/dbraw/zinc/15/54/28/207155428.db2.gz NXQDLNNIMIQDKO-UHFFFAOYSA-N 1 0 386.496 2.497 40 0 GEABRO CC(C)C[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000019743487 207158355 /nfs/dbraw/zinc/15/83/55/207158355.db2.gz SEPXGYRIFUWTMF-LBPRGKRZSA-N 1 0 398.429 2.486 40 0 GEABRO C[C@H]1CCCC[N@@H+]1CC(C)(C)NC(=O)Cn1cc(NC(=O)c2ccccn2)cn1 ZINC000019749806 207158986 /nfs/dbraw/zinc/15/89/86/207158986.db2.gz HZOAORAMYKXAIF-INIZCTEOSA-N 1 0 398.511 2.300 40 0 GEABRO Cc1ccc(C)c(NC(=O)C[C@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)c1 ZINC000020799114 207214474 /nfs/dbraw/zinc/21/44/74/207214474.db2.gz LUSJCLIZTWUOON-MRXNPFEDSA-N 1 0 378.436 2.123 40 0 GEABRO COC(=O)c1ccc(CS(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000030857038 207376393 /nfs/dbraw/zinc/37/63/93/207376393.db2.gz QSSGRUIKNZZHQW-HZPDHXFCSA-N 1 0 382.526 2.261 40 0 GEABRO O=C(NCCCN1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030944483 207377723 /nfs/dbraw/zinc/37/77/23/207377723.db2.gz BHYNQDRLIAMCBJ-GOSISDBHSA-N 1 0 379.932 2.391 40 0 GEABRO CC(=O)NCc1cnc([C@@H]2CCCN2C(=O)C[NH+]2CCCC2)cc1C(F)(F)F ZINC000072356157 208000059 /nfs/dbraw/zinc/00/00/59/208000059.db2.gz OYTZWBFCMOEDRX-KRWDZBQOSA-N 1 0 398.429 2.496 40 0 GEABRO CC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355062 208001973 /nfs/dbraw/zinc/00/19/73/208001973.db2.gz DMIJMEITXXKJGY-GOSISDBHSA-N 1 0 385.487 2.205 40 0 GEABRO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@@H]1C ZINC000072373103 208004656 /nfs/dbraw/zinc/00/46/56/208004656.db2.gz GAXWQFPSCCAMEE-KURKYZTESA-N 1 0 386.540 2.406 40 0 GEABRO c1ccc(OC[C@H]2CCCO2)c(CN2CCn3c(nnc3C3CC[NH2+]CC3)C2)c1 ZINC000072372114 208006661 /nfs/dbraw/zinc/00/66/61/208006661.db2.gz JCNUCFGCZLUNMP-LJQANCHMSA-N 1 0 397.523 2.319 40 0 GEABRO Cc1cccc(C)c1OCC(=O)N1CCCC[C@H]1c1nnc2n1CC[N@@H+](C)C2 ZINC000072373997 208007772 /nfs/dbraw/zinc/00/77/72/208007772.db2.gz FUXXFRGQROKJMA-KRWDZBQOSA-N 1 0 383.496 2.473 40 0 GEABRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2nnc3n2CC[N@@H+](C)C3)ccc1F ZINC000072373991 208009484 /nfs/dbraw/zinc/00/94/84/208009484.db2.gz QGEFSCWVFXDPLV-INIZCTEOSA-N 1 0 393.488 2.087 40 0 GEABRO Cc1cnc(CNC(=O)[C@@H]2C[C@]3(CO2)c2ccccc2C[N@H+]3CC2CC2)cn1 ZINC000096143903 208272107 /nfs/dbraw/zinc/27/21/07/208272107.db2.gz KHHSVEHTIMWLNI-UNMCSNQZSA-N 1 0 378.476 2.311 40 0 GEABRO Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000096147572 208273571 /nfs/dbraw/zinc/27/35/71/208273571.db2.gz FOBRVWKFINSFLL-UHFFFAOYSA-N 1 0 382.512 2.249 40 0 GEABRO O=C([C@@H]1Cn2ccnc2C2(CC[NH+](Cc3cccs3)CC2)O1)N1CCCC1 ZINC000096036816 208256488 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395.511 2.162 40 0 GEABRO C[NH+](C)C1CCN(C(=O)c2ncn3c2-c2nc(-c4ccoc4)ncc2CC3)CC1 ZINC000306133098 209102650 /nfs/dbraw/zinc/10/26/50/209102650.db2.gz MBSGBKRPCZKFMA-UHFFFAOYSA-N 1 0 392.463 2.322 40 0 GEABRO COC(=O)N1Cc2nnc(C)n2C2(CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000306135528 209103263 /nfs/dbraw/zinc/10/32/63/209103263.db2.gz OTZZFNRMIVNMKC-UHFFFAOYSA-N 1 0 385.468 2.168 40 0 GEABRO CCNC(=O)NC[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccc(CC)cc3)C2)O1 ZINC000306131484 209101257 /nfs/dbraw/zinc/10/12/57/209101257.db2.gz KGARCYROPSFGDG-TZIWHRDSSA-N 1 0 375.513 2.318 40 0 GEABRO O=C(COCC[C@H]1CO[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]12)N1CCCC1 ZINC000306130889 209099612 /nfs/dbraw/zinc/09/96/12/209099612.db2.gz JRXFTDLPBAQVEF-IHPCNDPISA-N 1 0 376.472 2.302 40 0 GEABRO COCCN1CC[C@@]2(C[N@H+](Cc3cccnc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130771 209099632 /nfs/dbraw/zinc/09/96/32/209099632.db2.gz JOYBINWRWBOHDF-UGKGYDQZSA-N 1 0 397.523 2.324 40 0 GEABRO 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C[C@@H]1CCC[C@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022823147 570962103 /nfs/dbraw/zinc/96/21/03/570962103.db2.gz FOOABQKFWPGKMA-BHIYHBOVSA-N 1 0 376.497 2.099 40 0 GEABRO COc1cccc(CNc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)c1 ZINC000328962944 571047108 /nfs/dbraw/zinc/04/71/08/571047108.db2.gz BLDYCIPMKFYTFN-UHFFFAOYSA-N 1 0 392.507 2.367 40 0 GEABRO O=c1c(NS(=O)(=O)c2ccc(Cl)cc2)ccc2n1C[C@@H]1C[NH2+]C[C@H]2C1 ZINC000003841375 531511570 /nfs/dbraw/zinc/51/15/70/531511570.db2.gz LBYMLANLKZIYQO-NWDGAFQWSA-N 1 0 379.869 2.009 40 0 biogenic,in-vitro GEABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1Br ZINC000007728072 531543209 /nfs/dbraw/zinc/54/32/09/531543209.db2.gz YIHDYVJXRQLRPM-UHFFFAOYSA-N 1 0 377.304 2.222 40 0 GEABRO C[C@H](C(=O)NCCC[NH+]1CCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013649019 531561125 /nfs/dbraw/zinc/56/11/25/531561125.db2.gz GCRGCUATABKSES-CQSZACIVSA-N 1 0 387.933 2.097 40 0 GEABRO CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@]1(C[NH3+])NC(=O)OC(C)(C)C ZINC000218620999 532483013 /nfs/dbraw/zinc/48/30/13/532483013.db2.gz ORHPMQATDKFAGE-JJRVBVJISA-N 1 0 388.917 2.463 40 0 GEABRO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@]1(C[NH3+])NC(=O)OC(C)(C)C ZINC000242750560 532518009 /nfs/dbraw/zinc/51/80/09/532518009.db2.gz ZTGXNBPVGAEIBE-CPUCHLNUSA-N 1 0 388.917 2.463 40 0 GEABRO CCN(C)C(=O)[C@H]1c2cncn2C2(CC[NH+](CCc3ccccc3)CC2)CN1C ZINC000306143177 209108198 /nfs/dbraw/zinc/10/81/98/209108198.db2.gz XVEBKLUSQULEFL-OAQYLSRUSA-N 1 0 395.551 2.382 40 0 GEABRO O=C(CN1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1N1CCOCC1 ZINC000004926764 206259726 /nfs/dbraw/zinc/25/97/26/206259726.db2.gz FGZLEBMJQKNVDR-UHFFFAOYSA-N 1 0 386.540 2.412 40 0 GEABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CCN21 ZINC000253403962 206283355 /nfs/dbraw/zinc/28/33/55/206283355.db2.gz QSRAXLIKHQWSMY-VWNXMTODSA-N 1 0 393.531 2.009 40 0 biogenic,in-vitro GEABRO C[C@H](C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1)n1cnc2ccccc21 ZINC000019079416 207100632 /nfs/dbraw/zinc/10/06/32/207100632.db2.gz 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Cc1cccc(C[NH+]2CCC3(CCc4nnc(C(=O)NCC5CC5)n4C3)CC2)n1 ZINC000306138150 209104198 /nfs/dbraw/zinc/10/41/98/209104198.db2.gz RQSUFDGBEQPNIZ-UHFFFAOYSA-N 1 0 394.523 2.350 40 0 GEABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cnn(C)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306137530 209103555 /nfs/dbraw/zinc/10/35/55/209103555.db2.gz QZEVCHAYKHEUGY-DENIHFKCSA-N 1 0 396.539 2.426 40 0 GEABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccoc3)CC1)COC2 ZINC000306135573 209103504 /nfs/dbraw/zinc/10/35/04/209103504.db2.gz OVBIUQPEWZXDTI-HNNXBMFYSA-N 1 0 387.484 2.212 40 0 GEABRO COCCN1CC2(CC[NH+](C3CCC3)CC2)COc2ccccc2S1(=O)=O ZINC000306133452 209101976 /nfs/dbraw/zinc/10/19/76/209101976.db2.gz MLXHZDPAPCVAOF-UHFFFAOYSA-N 1 0 394.537 2.351 40 0 GEABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(COc2ccccc2)on1)N1CCOCC1 ZINC000015673593 208794942 /nfs/dbraw/zinc/79/49/42/208794942.db2.gz VWIDQASJSXNJDA-ROUUACIJSA-N 1 0 399.491 2.271 40 0 biogenic,in-vitro GEABRO CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NCCC[NH+](C)C)c1 ZINC000224158751 208919831 /nfs/dbraw/zinc/91/98/31/208919831.db2.gz WEDXSJJFXDNWRS-UHFFFAOYSA-N 1 0 393.484 2.332 40 0 GEABRO O=C1N(CC2CC2)CCO[C@]12C[N@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306128786 209099485 /nfs/dbraw/zinc/09/94/85/209099485.db2.gz HKJNKNPWEYEKEQ-IRLDBZIGSA-N 1 0 378.476 2.084 40 0 GEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000225586110 208960803 /nfs/dbraw/zinc/96/08/03/208960803.db2.gz GCUGVEYZFGGJNX-QGZVFWFLSA-N 1 0 381.542 2.078 40 0 GEABRO O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCOCC1)Nc1ccc(F)cc1F ZINC000095252491 209005064 /nfs/dbraw/zinc/00/50/64/209005064.db2.gz OMBWYWYISNHSHM-YQQAZPJKSA-N 1 0 394.466 2.129 40 0 biogenic,in-vitro GEABRO COCCN1CC[C@@]2(C[N@H+](Cc3ccncc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306124326 209096514 /nfs/dbraw/zinc/09/65/14/209096514.db2.gz BMSLTEYOVUWYPU-UGKGYDQZSA-N 1 0 397.523 2.324 40 0 GEABRO COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)C4CCC4)CC[C@H]3[N@@H+]2C)cc1 ZINC000306123194 209095839 /nfs/dbraw/zinc/09/58/39/209095839.db2.gz AGVPRIIBFSVRMK-RLLQIKCJSA-N 1 0 385.508 2.033 40 0 GEABRO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)c1 ZINC000306123021 209094713 /nfs/dbraw/zinc/09/47/13/209094713.db2.gz ACMDIYQABWTXRA-MOPGFXCFSA-N 1 0 380.492 2.051 40 0 GEABRO COC(=O)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2cccc(OC)n2)COC1 ZINC000096112756 209009386 /nfs/dbraw/zinc/00/93/86/209009386.db2.gz BWTVKIABXAQSHE-HNNXBMFYSA-N 1 0 382.420 2.088 40 0 biogenic,in-vitro GEABRO O=S(=O)(NC[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)O1)c1ccccc1 ZINC000247340037 209026390 /nfs/dbraw/zinc/02/63/90/209026390.db2.gz RZWOFDQRKRBHIT-GOSISDBHSA-N 1 0 387.505 2.184 40 0 GEABRO O=C(Cc1cccc(O)c1)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257210294 209055117 /nfs/dbraw/zinc/05/51/17/209055117.db2.gz BTZMBORTNMNFQI-IBGZPJMESA-N 1 0 382.451 2.409 40 0 GEABRO O=C(NC[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCC1)c1ccccn1 ZINC000257245971 209058935 /nfs/dbraw/zinc/05/89/35/209058935.db2.gz IRXXJKFCRLYEHF-CZGNIMDHSA-N 1 0 381.476 2.104 40 0 GEABRO O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1ccccc1 ZINC000257258721 209062614 /nfs/dbraw/zinc/06/26/14/209062614.db2.gz KVFOAMPJKURCEU-CGXNFDGLSA-N 1 0 381.476 2.247 40 0 GEABRO Cn1c(=O)c2ccc(C3CCC(C[NH3+])CC3)nc2n(Cc2ccccc2)c1=O ZINC000257277670 209066754 /nfs/dbraw/zinc/06/67/54/209066754.db2.gz NYXPQMSJZJRERR-UHFFFAOYSA-N 1 0 378.476 2.376 40 0 GEABRO CCn1ccc(C(=O)N2CCC[C@@H](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000257290953 209069271 /nfs/dbraw/zinc/06/92/71/209069271.db2.gz QFAKMPNKPZBWQR-KRWDZBQOSA-N 1 0 389.544 2.134 40 0 GEABRO COC[C@@H](C)NC(=O)CN1CCC(c2cc(Nc3cnccn3)cc(C)[nH+]2)CC1 ZINC000257338324 209078247 /nfs/dbraw/zinc/07/82/47/209078247.db2.gz YWXGBQZHJFOJHV-MRXNPFEDSA-N 1 0 398.511 2.254 40 0 GEABRO O=C(CC[NH+]1CCCCC1)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O ZINC000257338996 209078677 /nfs/dbraw/zinc/07/86/77/209078677.db2.gz YZUVEBLKCFNKDD-CTNGQTDRSA-N 1 0 399.535 2.093 40 0 GEABRO O[C@@H]1C[C@@H]2C[N@H+](CCc3ccccc3)CC3(CN(CCc4ccccc4)C3)N2C1 ZINC000514290450 560029163 /nfs/dbraw/zinc/02/91/63/560029163.db2.gz ZYLHCAZPLPSWJK-DNQXCXABSA-N 1 0 391.559 2.277 40 0 biogenic,in-vitro GEABRO C[NH+](C)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccccc1F ZINC000585262171 570229641 /nfs/dbraw/zinc/22/96/41/570229641.db2.gz BZZZTQSTNSSSCW-YRXWBPOGSA-N 1 0 376.403 2.206 40 0 GEABRO COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCCC2)cc1 ZINC000585262380 570230453 /nfs/dbraw/zinc/23/04/53/570230453.db2.gz HAFYAXPWRHPUAP-CZYKHXBRSA-N 1 0 396.487 2.470 40 0 GEABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCC[C@@]3(C)[C@@H]2CCCCN3C(C)=O)CC1 ZINC000585285158 570254397 /nfs/dbraw/zinc/25/43/97/570254397.db2.gz WIOQBBFFHRPXBJ-ICSRJNTNSA-N 1 0 395.544 2.225 40 0 GEABRO O[C@H]1CC[N@H+](CC2(O)CCCCCC2)C[C@]1(O)COc1cccc(F)c1F ZINC000585287583 570259010 /nfs/dbraw/zinc/25/90/10/570259010.db2.gz OWEMJQACHFXWSO-PXNSSMCTSA-N 1 0 385.451 2.227 40 0 GEABRO CN(C)C(=O)c1ccc(C[N@@H+]2C[C@H](c3ccc(Cl)cc3)[C@@H](O)[C@H]2CO)cc1 ZINC000585291689 570260252 /nfs/dbraw/zinc/26/02/52/570260252.db2.gz BDGDJBSIYGWLAC-VAMGGRTRSA-N 1 0 388.895 2.363 40 0 GEABRO CC(C)(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 ZINC000604381914 570352659 /nfs/dbraw/zinc/35/26/59/570352659.db2.gz VAGDNYTUVFUEOC-QGZVFWFLSA-N 1 0 389.515 2.473 40 0 biogenic,in-vitro GEABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)CC(C)C)c1 ZINC000057314125 570360078 /nfs/dbraw/zinc/36/00/78/570360078.db2.gz VRNXCKLBUZUZOT-UHFFFAOYSA-N 1 0 392.525 2.084 40 0 GEABRO C/C=C1\C[N@@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC[C@H](O)CO)cc21 ZINC000004366954 570371443 /nfs/dbraw/zinc/37/14/43/570371443.db2.gz MFOCUXNEPWLHOJ-GFUJKDQISA-N 1 0 384.476 2.041 40 0 GEABRO 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 570426311 /nfs/dbraw/zinc/42/63/11/570426311.db2.gz RRKTZKIUPZVBMF-VCPPCEDPSA-N 1 0 394.471 2.110 40 0 GEABRO CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCCC[NH+](C)C)c1 ZINC000224173736 570502173 /nfs/dbraw/zinc/50/21/73/570502173.db2.gz IBYPSKISMWGUKJ-UHFFFAOYSA-N 1 0 393.484 2.332 40 0 GEABRO Cc1cc(C)cc(N([C@H](C)C(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)c1 ZINC000010278781 570567355 /nfs/dbraw/zinc/56/73/55/570567355.db2.gz DYJSDBWPQCJFFV-GOSISDBHSA-N 1 0 395.569 2.450 40 0 GEABRO CCc1c(C)nc2n(c1=O)CN(CCC[NH+](C)C)CN2c1ccc(OC)cc1 ZINC000038829953 570584719 /nfs/dbraw/zinc/58/47/19/570584719.db2.gz ZFZGFAFMXJLOCU-UHFFFAOYSA-N 1 0 385.512 2.443 40 0 GEABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3[C@H](O)[C@@]21C ZINC000004063791 570614731 /nfs/dbraw/zinc/61/47/31/570614731.db2.gz NIQPEHCERNDLQS-AHBSSGKESA-N 1 0 391.508 2.110 40 0 GEABRO O=C1CCc2cc(S(=O)(=O)N3CCC[C@H](C[NH+]4CCCC4)C3)ccc2N1 ZINC000012239378 570629962 /nfs/dbraw/zinc/62/99/62/570629962.db2.gz QSFABPGFCLWAJE-OAHLLOKOSA-N 1 0 377.510 2.068 40 0 GEABRO COc1ccc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4cnccn4)n3)C2)cc1OC ZINC000012329250 570644170 /nfs/dbraw/zinc/64/41/70/570644170.db2.gz OZJOLXZBISSDSA-INIZCTEOSA-N 1 0 395.467 2.060 40 0 GEABRO CN(CCOc1ccccc1F)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000015046493 570721932 /nfs/dbraw/zinc/72/19/32/570721932.db2.gz HTBGYORWAVGHRP-UHFFFAOYSA-N 1 0 381.411 2.231 40 0 GEABRO CN(C)C(=O)c1sc2nc([C@H]3CCCCN3C(=O)C[NH+](C)C)ccc2c1N ZINC000257230728 570765293 /nfs/dbraw/zinc/76/52/93/570765293.db2.gz GDQNXCFAYVSXPO-CQSZACIVSA-N 1 0 389.525 2.196 40 0 GEABRO Cc1cc(C)n(CC(=O)N(C)C[C@H]2C[C@]3(C)[C@@H](CCCC[C@]3(C)O)[N@@H+]2C)n1 ZINC000257235232 570766384 /nfs/dbraw/zinc/76/63/84/570766384.db2.gz GWZMYUVQMTVWPF-UKAVVXHISA-N 1 0 376.545 2.362 40 0 GEABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)c3cccc(=O)[nH]3)CC2)cc1 ZINC000257241184 570768336 /nfs/dbraw/zinc/76/83/36/570768336.db2.gz HWZAOUGDULXGDC-JOCHJYFZSA-N 1 0 399.491 2.285 40 0 GEABRO Cc1c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@@H+]3C)sc2ncn(C)c(=O)c12 ZINC000257242214 570768380 /nfs/dbraw/zinc/76/83/80/570768380.db2.gz IBNSHLQMDLFTBM-YGGLWSGOSA-N 1 0 386.521 2.391 40 0 GEABRO Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCN(C(C)C)[C@H](C(N)=O)C1 ZINC000257242852 570768829 /nfs/dbraw/zinc/76/88/29/570768829.db2.gz IELWRRAPMGTNEB-KRWDZBQOSA-N 1 0 376.888 2.079 40 0 GEABRO [NH3+][C@]1(CO)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218219065 570817014 /nfs/dbraw/zinc/81/70/14/570817014.db2.gz JNNYBHRAKXTHCD-HRCADAONSA-N 1 0 382.279 2.079 40 0 GEABRO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000585104253 570933121 /nfs/dbraw/zinc/93/31/21/570933121.db2.gz XKXYFKULURVXOL-GOSISDBHSA-N 1 0 376.497 2.142 40 0 GEABRO C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccn2)CC3)C1 ZINC000585104618 570933769 /nfs/dbraw/zinc/93/37/69/570933769.db2.gz RXURXXHLHDOUEZ-MSOLQXFVSA-N 1 0 393.553 2.373 40 0 GEABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)COc2ccccc2)CC1 ZINC000585106268 570936427 /nfs/dbraw/zinc/93/64/27/570936427.db2.gz KEBGWVHRQNZCFB-RLLQIKCJSA-N 1 0 399.535 2.293 40 0 GEABRO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4nccn4C)C[C@@H]32)no1 ZINC000585109738 570938128 /nfs/dbraw/zinc/93/81/28/570938128.db2.gz NGQZIMWUSNIDCX-ABSDTBQOSA-N 1 0 377.448 2.417 40 0 GEABRO O=C1C[C@H](N2CCCC[C@H]2CCO)C(=O)N1c1cccc(OC(F)(F)F)c1 ZINC000250052415 570960128 /nfs/dbraw/zinc/96/01/28/570960128.db2.gz JWHMDIOMYGCIDM-WFASDCNBSA-N 1 0 386.370 2.454 40 0 GEABRO COc1cc(Nc2cc(-c3ccncc3)nc(NCC[NH+](C)C)n2)cc(OC)c1 ZINC000328961604 571047301 /nfs/dbraw/zinc/04/73/01/571047301.db2.gz BEMXWBIEHYZILL-UHFFFAOYSA-N 1 0 394.479 2.117 40 0 GEABRO COc1cccc(OC)c1C[N@@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2CC1 ZINC000019567116 210266603 /nfs/dbraw/zinc/26/66/03/210266603.db2.gz GXOZYXXLGCPIBK-UHFFFAOYSA-N 1 0 392.459 2.450 40 0 GEABRO COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[NH2+]C4)C2)c1 ZINC000019551044 210261762 /nfs/dbraw/zinc/26/17/62/210261762.db2.gz MKGUKZJLQAWEAQ-CQSZACIVSA-N 1 0 382.464 2.159 40 0 GEABRO COc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)c(OC)c1 ZINC000019552196 210260929 /nfs/dbraw/zinc/26/09/29/210260929.db2.gz OTWTZFHASQFAKE-HNNXBMFYSA-N 1 0 384.480 2.377 40 0 GEABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccco1)Cc1cnc(N2CCOCC2)nc1 ZINC000019527199 210258032 /nfs/dbraw/zinc/25/80/32/210258032.db2.gz RMYVDNGCWPMSBE-LJQANCHMSA-N 1 0 385.512 2.393 40 0 GEABRO C[C@@H](C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CC[N@H+](C)C3)CC1)c1ccccc1 ZINC000019459102 210250124 /nfs/dbraw/zinc/25/01/24/210250124.db2.gz ZFPVXNXNPZLFQU-OAHLLOKOSA-N 1 0 380.492 2.268 40 0 GEABRO Cc1ccc(C(=O)Nc2cc3c(cc2N2CC[NH+](C)CC2)n(C)c(=O)n3C)cc1 ZINC000408530064 231051097 /nfs/dbraw/zinc/05/10/97/231051097.db2.gz INMVFCQOZYQUCR-UHFFFAOYSA-N 1 0 393.491 2.190 40 0 GEABRO O=C(CCc1cccc(Cl)c1)NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21 ZINC000019293379 210240057 /nfs/dbraw/zinc/24/00/57/210240057.db2.gz IKZXIBVHPMMTNN-OAHLLOKOSA-N 1 0 398.898 2.306 40 0 GEABRO O=S(=O)(Cc1cccc(F)c1)N1CCCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019293944 210239521 /nfs/dbraw/zinc/23/95/21/210239521.db2.gz PMSCIASYZLFKPP-SFHVURJKSA-N 1 0 390.484 2.318 40 0 GEABRO O=C([C@H]1CC(=O)OC12CCCCC2)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019292283 210238215 /nfs/dbraw/zinc/23/82/15/210238215.db2.gz GZWKFLDZUDQEDH-DOTOQJQBSA-N 1 0 398.507 2.094 40 0 GEABRO Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC000019288901 210237775 /nfs/dbraw/zinc/23/77/75/210237775.db2.gz ZYJBEWCJBHMSFM-FQEVSTJZSA-N 1 0 386.471 2.486 40 0 GEABRO Cc1nnnn1-c1ccc(CC(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC000019288415 210237492 /nfs/dbraw/zinc/23/74/92/210237492.db2.gz MHTMSMNIDNSVTB-LJQANCHMSA-N 1 0 382.512 2.380 40 0 GEABRO COCCOc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[nH]c(=O)c2C3)ccc1OC ZINC000019286349 210234966 /nfs/dbraw/zinc/23/49/66/210234966.db2.gz BYYOUFNRUSEXSY-SJORKVTESA-N 1 0 399.491 2.244 40 0 GEABRO Cc1ccc([C@@H](C)C(=O)N2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019135642 210227252 /nfs/dbraw/zinc/22/72/52/210227252.db2.gz NTBHMMUIPCLTKG-WBVHZDCISA-N 1 0 378.480 2.213 40 0 GEABRO CC(C)(C(=O)N1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1)c1ccc(F)cc1 ZINC000019085034 210225228 /nfs/dbraw/zinc/22/52/28/210225228.db2.gz CSFGCAIMHSJWEB-CQSZACIVSA-N 1 0 396.470 2.218 40 0 GEABRO C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019078911 210224397 /nfs/dbraw/zinc/22/43/97/210224397.db2.gz DVTIFNKDNGMKBA-ZWKOTPCHSA-N 1 0 398.511 2.297 40 0 GEABRO C[C@@H](C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1)[NH+]1CCCC1 ZINC000019078028 210222994 /nfs/dbraw/zinc/22/29/94/210222994.db2.gz LFYARFFVONBRBO-ZDUSSCGKSA-N 1 0 387.509 2.084 40 0 GEABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2C)cc1 ZINC000013671854 210077338 /nfs/dbraw/zinc/07/73/38/210077338.db2.gz RADFXAGXKXTTIP-UHFFFAOYSA-N 1 0 375.494 2.396 40 0 GEABRO C[C@@H](C(=O)NCCC[NH+]1CCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013649021 531559897 /nfs/dbraw/zinc/55/98/97/531559897.db2.gz GCRGCUATABKSES-AWEZNQCLSA-N 1 0 387.933 2.097 40 0 GEABRO S=C(NCc1ccco1)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCCCC1 ZINC000012602490 291117556 /nfs/dbraw/zinc/11/75/56/291117556.db2.gz DTHRTXROSODHPY-OKZBNKHCSA-N 1 0 376.570 2.440 40 0 biogenic,in-vitro GEABRO O=C(c1ccc2nnnn2c1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199250 209224048 /nfs/dbraw/zinc/22/40/48/209224048.db2.gz XNUWCFZIUXMXTG-XFKSJGNHSA-N 1 0 378.480 2.160 40 0 GEABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2n2nnnc12)C(=S)NC ZINC000035314964 209193397 /nfs/dbraw/zinc/19/33/97/209193397.db2.gz NUZSUBIHYNJOEK-KRWDZBQOSA-N 1 0 397.552 2.377 40 0 GEABRO CN1CC2(CC[NH+](Cc3ccncc3)CC2)COc2ccccc2S1(=O)=O ZINC000063528228 212069834 /nfs/dbraw/zinc/06/98/34/212069834.db2.gz LLEGMMFMMTUPRW-UHFFFAOYSA-N 1 0 387.505 2.377 40 0 GEABRO c1ccc(C[NH+]2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)nc1 ZINC000063527483 212069660 /nfs/dbraw/zinc/06/96/60/212069660.db2.gz GFUFPJCNWWWLQN-UHFFFAOYSA-N 1 0 378.480 2.341 40 0 GEABRO COCCN1CC[C@@]2(C[N@H+](Cc3ccccn3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306143446 212055888 /nfs/dbraw/zinc/05/58/88/212055888.db2.gz YCNZVGSDCHUOIV-UGKGYDQZSA-N 1 0 397.523 2.324 40 0 GEABRO CC(C)(C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccco3)CC1)COC2 ZINC000306138142 212053765 /nfs/dbraw/zinc/05/37/65/212053765.db2.gz RQKDIWFVKQXKLZ-UHFFFAOYSA-N 1 0 387.484 2.212 40 0 GEABRO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2NC(=O)c1ccc(F)cc1 ZINC000306137851 212053457 /nfs/dbraw/zinc/05/34/57/212053457.db2.gz RIHATXZVVNRGIZ-FGTMMUONSA-N 1 0 382.501 2.089 40 0 GEABRO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cnn(C)c4)C2)OC3)c1 ZINC000306139951 212052706 /nfs/dbraw/zinc/05/27/06/212052706.db2.gz UFDDWFHAPZPWDL-NRFANRHFSA-N 1 0 379.464 2.467 40 0 GEABRO CC(C)N1CC[N@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)N3CCCC3)cn21 ZINC000306136266 212051367 /nfs/dbraw/zinc/05/13/67/212051367.db2.gz POJJGCZTEZYYIJ-IBGZPJMESA-N 1 0 396.539 2.442 40 0 GEABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3nccs3)C[C@@H]1C2 ZINC000306131296 212049813 /nfs/dbraw/zinc/04/98/13/212049813.db2.gz KAOKTEXIHBRCIE-UONOGXRCSA-N 1 0 380.477 2.291 40 0 GEABRO COc1ccc(C[NH+]2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)cc1 ZINC000306132099 212048735 /nfs/dbraw/zinc/04/87/35/212048735.db2.gz KYJQFGTWLFIHQA-UHFFFAOYSA-N 1 0 395.507 2.408 40 0 GEABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@@H+](Cc4ccsc4)C[C@@H]32)cc1 ZINC000306127404 212047802 /nfs/dbraw/zinc/04/78/02/212047802.db2.gz FYAMFTZUHMUBKD-QZTJIDSGSA-N 1 0 394.500 2.052 40 0 GEABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4ccoc4)C[C@@H]2C3)cc1 ZINC000306123994 212045840 /nfs/dbraw/zinc/04/58/40/212045840.db2.gz BCNRAKGNECZNCV-HOTGVXAUSA-N 1 0 393.447 2.436 40 0 GEABRO CC(C)CNC(=O)c1cn2c(nc1=O)[C@@]1(CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000306126808 212044478 /nfs/dbraw/zinc/04/44/78/212044478.db2.gz FFVUHIWXWGKSGL-JOCHJYFZSA-N 1 0 380.492 2.177 40 0 GEABRO Cc1cccc(C[N@@H+]2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 ZINC000306124055 212044491 /nfs/dbraw/zinc/04/44/91/212044491.db2.gz BEIHAIBDICMUGJ-KRWDZBQOSA-N 1 0 378.480 2.259 40 0 GEABRO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)c1 ZINC000306123024 212042238 /nfs/dbraw/zinc/04/22/38/212042238.db2.gz ACMDIYQABWTXRA-RTBURBONSA-N 1 0 380.492 2.051 40 0 GEABRO C[NH+](C)CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257331417 212025595 /nfs/dbraw/zinc/02/55/95/212025595.db2.gz XSTMKHMVWBYMDP-ICSRJNTNSA-N 1 0 387.524 2.247 40 0 GEABRO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1cscn1 ZINC000257322838 212024574 /nfs/dbraw/zinc/02/45/74/212024574.db2.gz WHPOIEJMSYBCFZ-YSHGAJCASA-N 1 0 387.505 2.308 40 0 GEABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000257283426 212016823 /nfs/dbraw/zinc/01/68/23/212016823.db2.gz OYGNORLZUFRTJZ-NRFANRHFSA-N 1 0 387.455 2.416 40 0 GEABRO COCCN1C(=O)CC[C@@H](C(=O)N2CCC[N@H+](C)CC2)[C@@H]1c1ccccc1C ZINC000257258863 212012824 /nfs/dbraw/zinc/01/28/24/212012824.db2.gz KVVASJBNRJZCON-CTNGQTDRSA-N 1 0 387.524 2.085 40 0 GEABRO C[N@@H+]1CCN(C(=O)c2ccccc2-c2ccccc2)C[C@](O)(Cn2cccn2)C1 ZINC000257216540 212005665 /nfs/dbraw/zinc/00/56/65/212005665.db2.gz CUYQSOCBFCGTFN-QHCPKHFHSA-N 1 0 390.487 2.369 40 0 GEABRO CCN1C(=O)CC[C@@H](C(=O)N(C)CC[NH+](C)C)[C@@H]1c1ccc(OC)cc1OC ZINC000257210784 212004087 /nfs/dbraw/zinc/00/40/87/212004087.db2.gz BWECVLQMCZDWSN-XLIONFOSSA-N 1 0 391.512 2.023 40 0 GEABRO C[NH+](C)CCNc1nc(Nc2c(F)cc(F)cc2F)cc(C(F)(F)F)n1 ZINC000329044253 209157234 /nfs/dbraw/zinc/15/72/34/209157234.db2.gz SVRKATRIOBIMKV-UHFFFAOYSA-N 1 0 379.308 2.474 40 0 GEABRO COc1cccc(Nc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)c1 ZINC000329008094 209155312 /nfs/dbraw/zinc/15/53/12/209155312.db2.gz LOWRVLOJWNNKLU-UHFFFAOYSA-N 1 0 378.480 2.498 40 0 GEABRO C[NH+](C)CCNc1nc(NCc2cc(F)cc(F)c2)cc(C(F)(F)F)n1 ZINC000328980486 209154179 /nfs/dbraw/zinc/15/41/79/209154179.db2.gz GNXMFCHAURYAKJ-UHFFFAOYSA-N 1 0 375.345 2.203 40 0 GEABRO COCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2ccccc2OC)no1 ZINC000015673412 211711340 /nfs/dbraw/zinc/71/13/40/211711340.db2.gz AJTDXLOIWDBOQO-RDJZCZTQSA-N 1 0 387.480 2.304 40 0 biogenic,in-vitro GEABRO Cc1cnc(CNC(=O)c2ccc3ccc(N4CC[NH+](C(C)C)CC4)n3c2)cn1 ZINC000096267410 211328916 /nfs/dbraw/zinc/32/89/16/211328916.db2.gz ZMSOVTTYDDEXDJ-UHFFFAOYSA-N 1 0 392.507 2.498 40 0 GEABRO COCC[N@@H+]1CC[C@@H](c2nnc3ccc(C(=O)Nc4cccc(OC)c4)cn32)C1 ZINC000096267505 211328395 /nfs/dbraw/zinc/32/83/95/211328395.db2.gz RWLPDHFERABJMO-OAHLLOKOSA-N 1 0 395.463 2.426 40 0 GEABRO CC(C)NC(=O)c1ccc2nnc([C@H]3C[N@H+](Cc4ccccc4)CCN3C)n2c1 ZINC000096268013 211328010 /nfs/dbraw/zinc/32/80/10/211328010.db2.gz MNJVKJDEFBOZPY-LJQANCHMSA-N 1 0 392.507 2.356 40 0 GEABRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NC(C)C)Cn2ccnc23)cc1 ZINC000096263253 211327053 /nfs/dbraw/zinc/32/70/53/211327053.db2.gz HVSUWCWJYWJMAH-LJQANCHMSA-N 1 0 398.507 2.306 40 0 GEABRO C[NH+](C)CCN1CCOC[C@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228822 211321058 /nfs/dbraw/zinc/32/10/58/211321058.db2.gz ICZLNWFBXYRTKB-JOCHJYFZSA-N 1 0 384.524 2.284 40 0 GEABRO CN1CC[NH+](C[C@@H]2CO[C@@]3(C2)CCCN(C(=O)c2cc4ccccc4[nH]2)C3)CC1 ZINC000096075606 211298979 /nfs/dbraw/zinc/29/89/79/211298979.db2.gz VVJSIFHCCMJGCB-WZONZLPQSA-N 1 0 396.535 2.427 40 0 GEABRO CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccsc1)CCC2 ZINC000096056100 211298494 /nfs/dbraw/zinc/29/84/94/211298494.db2.gz GHTJYOFKLJNCTQ-PXNSSMCTSA-N 1 0 385.537 2.345 40 0 GEABRO C[NH+](C)CCNC(=O)[C@@H]1C[C@@]2(CO1)CN(C(=O)c1ccccc1)c1ccccc12 ZINC000096144487 211308773 /nfs/dbraw/zinc/30/87/73/211308773.db2.gz QMBPYHGQFHRXCX-REWPJTCUSA-N 1 0 393.487 2.052 40 0 GEABRO Cc1ccccc1OC(C)(C)C(=O)N1CCc2nnc([C@@H]3CCC[NH2+]C3)n2CC1 ZINC000072370902 211103604 /nfs/dbraw/zinc/10/36/04/211103604.db2.gz ZXGKDKSPCWESFJ-QGZVFWFLSA-N 1 0 397.523 2.296 40 0 GEABRO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000072373106 211103810 /nfs/dbraw/zinc/10/38/10/211103810.db2.gz GAXWQFPSCCAMEE-BZSNNMDCSA-N 1 0 386.540 2.406 40 0 GEABRO CCOc1cc2c(cc1CN1CCn3c(nnc3C3CC[NH2+]CC3)C1)O[C@@H](C)C2 ZINC000072372119 211102583 /nfs/dbraw/zinc/10/25/83/211102583.db2.gz PAEBPWUEECMBDU-HNNXBMFYSA-N 1 0 397.523 2.483 40 0 GEABRO C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)[C@H]3OCCc4ccccc43)ncc2C1 ZINC000072397257 211112238 /nfs/dbraw/zinc/11/22/38/211112238.db2.gz BJWIHFFJQSCGEK-UXHICEINSA-N 1 0 378.476 2.442 40 0 GEABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072379158 211108319 /nfs/dbraw/zinc/10/83/19/211108319.db2.gz CCUGNXOMJDULMK-SFHVURJKSA-N 1 0 397.523 2.429 40 0 GEABRO O=C(CN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000034913645 210671931 /nfs/dbraw/zinc/67/19/31/210671931.db2.gz PCJOSJXVVCQQKY-OAHLLOKOSA-N 1 0 385.295 2.464 40 0 GEABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000019715472 210286911 /nfs/dbraw/zinc/28/69/11/210286911.db2.gz KRPUXJNKHVBGMB-UHFFFAOYSA-N 1 0 385.443 2.144 40 0 GEABRO Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709242 210284347 /nfs/dbraw/zinc/28/43/47/210284347.db2.gz BPGHKGGNFLZPRW-OAHLLOKOSA-N 1 0 379.464 2.498 40 0 GEABRO CCOc1ccc(C[NH+]2CCC(c3nnc4n3CCN(C(C)=O)CC4)CC2)cc1 ZINC000019708968 210284047 /nfs/dbraw/zinc/28/40/47/210284047.db2.gz WKACTVRWRIHTET-UHFFFAOYSA-N 1 0 397.523 2.461 40 0 GEABRO COc1cccc(CC(=O)N(C)Cc2nc([C@@H]3CCC[NH2+]C3)cc(N(C)C)n2)c1 ZINC000019709951 210283571 /nfs/dbraw/zinc/28/35/71/210283571.db2.gz ZQBAUQGQTBVHRG-QGZVFWFLSA-N 1 0 397.523 2.219 40 0 GEABRO COc1ccc(CC(=O)N2CCc3nnc(C4CC[NH+](C)CC4)n3CC2)cc1C ZINC000019709000 210283072 /nfs/dbraw/zinc/28/30/72/210283072.db2.gz YGANUHQUDUJQFJ-UHFFFAOYSA-N 1 0 397.523 2.032 40 0 GEABRO CCC(CC)C(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](C(C)C)CC3)C2=O)C1 ZINC000019699799 210281217 /nfs/dbraw/zinc/28/12/17/210281217.db2.gz ULZLBMMSHMTLAO-KRWDZBQOSA-N 1 0 392.544 2.208 40 0 GEABRO Cc1oc2c(c1C(=O)N1CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C1)CCCC2 ZINC000019581173 210271088 /nfs/dbraw/zinc/27/10/88/210271088.db2.gz NCTXINLQNGPQKM-CQSZACIVSA-N 1 0 394.479 2.195 40 0 GEABRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCN(c3ncc4c(n3)CCOC4)C2)cc1 ZINC000019583527 210270482 /nfs/dbraw/zinc/27/04/82/210270482.db2.gz WSIPELUBWIQXPB-LJQANCHMSA-N 1 0 395.507 2.010 40 0 GEABRO COc1cccc(OC)c1C(=O)N1CC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019590628 210272223 /nfs/dbraw/zinc/27/22/23/210272223.db2.gz HLBPEZIIASIPBT-CQSZACIVSA-N 1 0 382.464 2.111 40 0 GEABRO Cc1cccn2c(=O)c(/C=C/C3=CC[N@H+](C)CC3)c(N3CCN(C)CC3)nc12 ZINC000072346473 136168772 /nfs/dbraw/zinc/16/87/72/136168772.db2.gz YCXYIUAURSZJDL-VOTSOKGWSA-N 1 0 379.508 2.030 40 0 GEABRO COc1ccc(C[N@@H+]2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)cc1CO ZINC000072389579 136169097 /nfs/dbraw/zinc/16/90/97/136169097.db2.gz VGQMWZHNBVIZPJ-HNNXBMFYSA-N 1 0 398.507 2.065 40 0 GEABRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096050193 136183364 /nfs/dbraw/zinc/18/33/64/136183364.db2.gz ZUUAQJANKWSMAU-NRFANRHFSA-N 1 0 382.439 2.061 40 0 GEABRO COc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC000109423683 136191933 /nfs/dbraw/zinc/19/19/33/136191933.db2.gz ODFRTJPKPXRGPP-UHFFFAOYSA-N 1 0 379.457 2.387 40 0 GEABRO COCCNc1ncccc1-c1noc([C@@H]2CCCN2C2CC[NH+](C)CC2)n1 ZINC000035424894 560080441 /nfs/dbraw/zinc/08/04/41/560080441.db2.gz YWXNZXPKZCREGV-KRWDZBQOSA-N 1 0 386.500 2.421 40 0 biogenic,in-vitro GEABRO 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 560198043 /nfs/dbraw/zinc/19/80/43/560198043.db2.gz RRKTZKIUPZVBMF-MPCUFMIESA-N 1 0 394.471 2.110 40 0 biogenic,in-vitro GEABRO CN(C)c1ncc(-c2cc(C(=O)N3CCC[N@H+](C)CC3)n(CC3CC3)c2)cn1 ZINC000096147679 570214586 /nfs/dbraw/zinc/21/45/86/570214586.db2.gz DCJIFIRHZJOJCJ-UHFFFAOYSA-N 1 0 382.512 2.199 40 0 GEABRO COc1cc(Nc2cc(-c3ccccn3)nc(NCC[NH+](C)C)n2)cc(OC)c1 ZINC000329053241 570215307 /nfs/dbraw/zinc/21/53/07/570215307.db2.gz VEYRGSFLHQNGJJ-UHFFFAOYSA-N 1 0 394.479 2.117 40 0 GEABRO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC000005156720 570245261 /nfs/dbraw/zinc/24/52/61/570245261.db2.gz OLFWINCXUYWIGW-COPCDDAFSA-N 1 0 388.508 2.222 40 0 GEABRO OC1(C[N@@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CCCCCC1 ZINC000585282733 570250797 /nfs/dbraw/zinc/25/07/97/570250797.db2.gz NFIXNQZWGKIHNZ-FQEVSTJZSA-N 1 0 385.451 2.492 40 0 GEABRO O[C@H]1CC[N@H+](CC2(O)CCCCC2)C[C@]1(O)COc1ccc(Cl)c(F)c1 ZINC000585287277 570252899 /nfs/dbraw/zinc/25/28/99/570252899.db2.gz MBBQCXYZABTHLC-HKUYNNGSSA-N 1 0 387.879 2.351 40 0 GEABRO O[C@H]1CC[N@H+](CC2(O)CCCCCC2)C[C@]1(O)COc1ccc(F)c(F)c1 ZINC000585287575 570258929 /nfs/dbraw/zinc/25/89/29/570258929.db2.gz OSYPRINCTYZJOQ-ICSRJNTNSA-N 1 0 385.451 2.227 40 0 GEABRO CC[N@H+](C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O)C1CCCCC1 ZINC000585290869 570259495 /nfs/dbraw/zinc/25/94/95/570259495.db2.gz GPISYXDKLXMDPB-CTNGQTDRSA-N 1 0 394.943 2.471 40 0 GEABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC000072216291 570317556 /nfs/dbraw/zinc/31/75/56/570317556.db2.gz HKSXMKTZEHHSPR-LJQANCHMSA-N 1 0 386.521 2.325 40 0 GEABRO CCCCCCOC[C@H](O)CNCC[NH2+]C[C@H](O)COCCCCCC ZINC000022947458 570339213 /nfs/dbraw/zinc/33/92/13/570339213.db2.gz ZSARAAXPFCGJBR-BGYRXZFFSA-N 1 0 376.582 2.081 40 0 GEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2Cc3ccccc3C2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382657 570353819 /nfs/dbraw/zinc/35/38/19/570353819.db2.gz XRGDEMGWUVMJDZ-GXRSIYKFSA-N 1 0 379.504 2.011 40 0 biogenic,in-vitro GEABRO COc1cc2c(cc1OC)[C@]13CC[N@@H+]4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5[C@@H]4C3 ZINC000004403995 570373875 /nfs/dbraw/zinc/37/38/75/570373875.db2.gz IHRVRFDLHXNIGN-NJJJRCDKSA-N 1 0 394.471 2.110 40 0 GEABRO 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 ZINC000004534119 570382345 /nfs/dbraw/zinc/38/23/45/570382345.db2.gz RRKTZKIUPZVBMF-DJDPZAPGSA-N 1 0 394.471 2.110 40 0 GEABRO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000120348434 570390341 /nfs/dbraw/zinc/39/03/41/570390341.db2.gz AKSJFZCHRKCQNN-UHFFFAOYSA-N 1 0 375.494 2.112 40 0 GEABRO 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2.396 40 0 GEABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2cccc(C)c2)cc1 ZINC000013672970 570771171 /nfs/dbraw/zinc/77/11/71/570771171.db2.gz JUDILSSERDBGSJ-UHFFFAOYSA-N 1 0 389.521 2.177 40 0 GEABRO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC[NH+](C)C)c2C)cc1 ZINC000010111671 570781880 /nfs/dbraw/zinc/78/18/80/570781880.db2.gz PEJLUGISRSBRIF-UHFFFAOYSA-N 1 0 375.494 2.396 40 0 GEABRO COC(=O)C1C(C[NH+]2C[C@@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057731119 570842826 /nfs/dbraw/zinc/84/28/26/570842826.db2.gz QMWZRJLRSYZWDN-NJSLBKSFSA-N 1 0 387.480 2.454 40 0 GEABRO CCN(CC)C(=O)[C@H]1C[N@H+](Cc2cccc(OCCO)c2)CC12CCOCC2 ZINC000585102015 570928104 /nfs/dbraw/zinc/92/81/04/570928104.db2.gz YMMCXQVCXUREIH-HXUWFJFHSA-N 1 0 390.524 2.155 40 0 GEABRO CC[NH+]1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2ccc(Cl)cc2)CC1 ZINC000019527999 570928288 /nfs/dbraw/zinc/92/82/88/570928288.db2.gz ITLPFWRJZHKEOH-ZWKOTPCHSA-N 1 0 390.919 2.232 40 0 GEABRO Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H]4CO)C3)CC2)s1 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LEDHIYGZXWZLGG-UHFFFAOYSA-N 1 0 376.464 2.327 40 0 GEABRO CCOc1ncc([C@@]2(O)CC[C@@H]3C[N@H+](CC4=CCCOC4)C[C@@H]32)c(OCC)n1 ZINC000019531781 210257775 /nfs/dbraw/zinc/25/77/75/210257775.db2.gz VJORAVXSHVQOLU-MMOPVJDHSA-N 1 0 389.496 2.150 40 0 GEABRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC3(CC[NH+](C)CC3)Oc3ccccc3C2=O)C1 ZINC000019462415 210253614 /nfs/dbraw/zinc/25/36/14/210253614.db2.gz GDSIMHXIRUECLL-HDICACEKSA-N 1 0 399.535 2.490 40 0 GEABRO CC1CCN(C(=O)C[N@@H+]2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019496716 210252819 /nfs/dbraw/zinc/25/28/19/210252819.db2.gz NKBKIGBFWGISGV-SFHVURJKSA-N 1 0 386.540 2.408 40 0 GEABRO O=C(CCn1cnc2ccccc21)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000019376688 210246886 /nfs/dbraw/zinc/24/68/86/210246886.db2.gz RMFZWVAOIKTECF-UHFFFAOYSA-N 1 0 390.491 2.268 40 0 GEABRO O=C(CCn1ncc2ccccc21)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019376594 210246474 /nfs/dbraw/zinc/24/64/74/210246474.db2.gz PSZHKYOCVXPFHW-QGZVFWFLSA-N 1 0 390.491 2.268 40 0 GEABRO Cc1ccc([C@@H](C)C(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3nccnc32)cc1 ZINC000019136336 210229563 /nfs/dbraw/zinc/22/95/63/210229563.db2.gz KKYGBOBXCODUDY-NVXWUHKLSA-N 1 0 378.480 2.132 40 0 GEABRO Cn1nc(C(C)(C)C)cc1C(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019083783 210225626 /nfs/dbraw/zinc/22/56/26/210225626.db2.gz ZRXKYKWLQQPLRH-AWEZNQCLSA-N 1 0 382.512 2.173 40 0 GEABRO Cc1cc(C(F)F)nn1[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019119042 210224822 /nfs/dbraw/zinc/22/48/22/210224822.db2.gz BLXSFJVYLYXGIS-WFASDCNBSA-N 1 0 390.438 2.490 40 0 GEABRO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCC[NH+](C)C)cc1 ZINC000013668660 210074983 /nfs/dbraw/zinc/07/49/83/210074983.db2.gz YRIHFSDWTBHTRP-UHFFFAOYSA-N 1 0 375.494 2.112 40 0 GEABRO O=c1[nH]c2ccccc2n1C1CC[NH+](C[C@H](O)[C@@H]2COc3ccccc3O2)CC1 ZINC000001869699 209341313 /nfs/dbraw/zinc/34/13/13/209341313.db2.gz ZBPOBVZNVTZLGP-RXVVDRJESA-N 1 0 395.459 2.167 40 0 GEABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccncc3)CC1)COC2 ZINC000306142251 212054761 /nfs/dbraw/zinc/05/47/61/212054761.db2.gz WURDUTZADVDKHW-INIZCTEOSA-N 1 0 398.511 2.014 40 0 GEABRO CC(C)CC[N@@H+]1C[C@H]2[C@H](C1)S(=O)(=O)CC[C@H]2NC(=O)c1ccc(F)cc1 ZINC000306137852 212053221 /nfs/dbraw/zinc/05/32/21/212053221.db2.gz RIHATXZVVNRGIZ-KURKYZTESA-N 1 0 382.501 2.089 40 0 GEABRO COCC[N@@H+]1CCC[C@@]2(C[C@H]3CN(C(=O)c4cccc(N(C)C)c4)C[C@@H]2O3)C1 ZINC000306139844 212052927 /nfs/dbraw/zinc/05/29/27/212052927.db2.gz UCEKXLJPRWRAQN-JAXLGGSGSA-N 1 0 387.524 2.095 40 0 GEABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccnc3)CC1)COC2 ZINC000306141150 212052355 /nfs/dbraw/zinc/05/23/55/212052355.db2.gz VMOCQTZUFVTZNS-INIZCTEOSA-N 1 0 398.511 2.014 40 0 GEABRO c1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)nc1 ZINC000306134279 212051515 /nfs/dbraw/zinc/05/15/15/212051515.db2.gz NHNPRXIITRBIFP-QGZVFWFLSA-N 1 0 378.480 2.341 40 0 GEABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccoc3)C[C@H]1C2 ZINC000306131794 212049902 /nfs/dbraw/zinc/04/99/02/212049902.db2.gz KPUDBCDXILSOME-QZTJIDSGSA-N 1 0 377.448 2.105 40 0 GEABRO O=C(NCC1CC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccncc2)CC1 ZINC000306130473 212047531 /nfs/dbraw/zinc/04/75/31/212047531.db2.gz JHKQPRLCNVRHQE-UHFFFAOYSA-N 1 0 380.496 2.042 40 0 GEABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@H]1CC[N@H+](CC3CCCC3)C[C@@H]21 ZINC000306126084 212044373 /nfs/dbraw/zinc/04/43/73/212044373.db2.gz DLUNISKUZOQRQY-RBUKOAKNSA-N 1 0 380.492 2.063 40 0 GEABRO COc1ncccc1NC(=O)c1ccc2c(c1)c(C)nnc2N1CC[NH+](C)CC1 ZINC000306126426 212044548 /nfs/dbraw/zinc/04/45/48/212044548.db2.gz DVJCQMHASJETIJ-UHFFFAOYSA-N 1 0 392.463 2.346 40 0 GEABRO CC(C)C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257317219 212023430 /nfs/dbraw/zinc/02/34/30/212023430.db2.gz VIWJJVGFCJQSFV-FUDKSRODSA-N 1 0 387.568 2.248 40 0 GEABRO Cc1ccc(C(=O)N2CCC[C@](O)(C[NH+]3CCC(F)(F)CC3)CC2)c(=O)[nH]1 ZINC000257309623 212021990 /nfs/dbraw/zinc/02/19/90/212021990.db2.gz UBRBOMGOWIZXCQ-GOSISDBHSA-N 1 0 383.439 2.184 40 0 GEABRO CC1CC[NH+](CC(=O)N2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)CC1 ZINC000257279416 212017082 /nfs/dbraw/zinc/01/70/82/212017082.db2.gz OGMCFXSADLLRCA-GOSISDBHSA-N 1 0 396.495 2.247 40 0 GEABRO Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[NH+]2CCCC2)cn1 ZINC000257273236 212014747 /nfs/dbraw/zinc/01/47/47/212014747.db2.gz NFUNHLVNLAHAQS-CGXNFDGLSA-N 1 0 399.466 2.304 40 0 GEABRO Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc(OCC[NH+](C)C)cc2)[C@H]1O ZINC000257282646 212015486 /nfs/dbraw/zinc/01/54/86/212015486.db2.gz OUQBZXFTIIVMMV-VAMGGRTRSA-N 1 0 386.496 2.016 40 0 GEABRO COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCN(C(=O)COc4cccnc4)C[C@@H]32)cc1 ZINC000257245736 212010537 /nfs/dbraw/zinc/01/05/37/212010537.db2.gz IQXHMXYJKWZNIM-NJDAHSKKSA-N 1 0 381.476 2.415 40 0 GEABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)c3cccc(=O)[nH]3)CC2)cc1 ZINC000257241185 212008391 /nfs/dbraw/zinc/00/83/91/212008391.db2.gz HWZAOUGDULXGDC-QFIPXVFZSA-N 1 0 399.491 2.285 40 0 GEABRO Cc1cc(Nc2cc(CC3CCN(C(=O)[C@@H]4CCC[NH2+]4)CC3)nc(C)n2)n[nH]1 ZINC000257216531 212004923 /nfs/dbraw/zinc/00/49/23/212004923.db2.gz CUXWORSSPCSLBA-KRWDZBQOSA-N 1 0 383.500 2.093 40 0 GEABRO Cc1ccc(CN(CC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1 ZINC000225026118 211881077 /nfs/dbraw/zinc/88/10/77/211881077.db2.gz YCGZNCDSLALZDJ-UHFFFAOYSA-N 1 0 395.569 2.139 40 0 GEABRO Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000224122400 211853223 /nfs/dbraw/zinc/85/32/23/211853223.db2.gz DKXXCAIZJXGGHV-UHFFFAOYSA-N 1 0 375.494 2.112 40 0 GEABRO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000169293203 211632280 /nfs/dbraw/zinc/63/22/80/211632280.db2.gz AKHZFGDQAHCPLJ-RCCFBDPRSA-N 1 0 389.521 2.164 40 0 GEABRO CCN1C(=O)[C@H]2C[N@H+](CC(C)C)C[C@H]2C12CCN(C(=O)c1ccncc1)CC2 ZINC000107180431 211441766 /nfs/dbraw/zinc/44/17/66/211441766.db2.gz GMPNATGXFVHANI-RBUKOAKNSA-N 1 0 384.524 2.123 40 0 GEABRO Cc1nc(CN2CCN(C)C(=O)C23CC[NH+](Cc2cccc(C)n2)CC3)cs1 ZINC000096230297 211320959 /nfs/dbraw/zinc/32/09/59/211320959.db2.gz DECKENIDAXMTFW-UHFFFAOYSA-N 1 0 399.564 2.464 40 0 GEABRO Cc1ccc(CN2CCC[C@]3(C(=O)N(C)C)C[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000096056137 211298939 /nfs/dbraw/zinc/29/89/39/211298939.db2.gz ZFKZWVHJBFWTNR-UGKGYDQZSA-N 1 0 399.539 2.124 40 0 GEABRO CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1nccs1)CCC2 ZINC000096056125 211297782 /nfs/dbraw/zinc/29/77/82/211297782.db2.gz WEFAWXSTFOLUGK-JXFKEZNVSA-N 1 0 385.537 2.345 40 0 GEABRO CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000096036877 211296907 /nfs/dbraw/zinc/29/69/07/211296907.db2.gz SEMHDORGFVSEOA-SFHVURJKSA-N 1 0 383.496 2.037 40 0 GEABRO CCOc1cc2c(cc1CN1CCn3c(nnc3C3CC[NH2+]CC3)C1)O[C@H](C)C2 ZINC000072372118 211103384 /nfs/dbraw/zinc/10/33/84/211103384.db2.gz PAEBPWUEECMBDU-OAHLLOKOSA-N 1 0 397.523 2.483 40 0 GEABRO COc1c(C)cccc1C(=O)N1CCC[C@@H](c2nnc3n2CC[N@@H+](C)CC3)C1 ZINC000072370939 211101889 /nfs/dbraw/zinc/10/18/89/211101889.db2.gz 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O=S(=O)(N1CCCC1)N1CC[N@@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355138 211098080 /nfs/dbraw/zinc/09/80/80/211098080.db2.gz BORXJTPJIGKXMR-GOSISDBHSA-N 1 0 392.569 2.141 40 0 GEABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)Cc2c[nH]c4ccccc24)C3)C1 ZINC000019711092 210285904 /nfs/dbraw/zinc/28/59/04/210285904.db2.gz BCHFWQSQRHIJQB-OAHLLOKOSA-N 1 0 378.480 2.154 40 0 GEABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4ccc(F)cc4[nH]2)C3)C1 ZINC000019710984 210285549 /nfs/dbraw/zinc/28/55/49/210285549.db2.gz AWLRTDAAXDHOCH-CQSZACIVSA-N 1 0 382.443 2.364 40 0 GEABRO Cc1cccc(C)c1OCC(=O)N1CCC[C@H]1c1nnc2n1CC[N@@H+](C)CC2 ZINC000019710654 210285469 /nfs/dbraw/zinc/28/54/69/210285469.db2.gz ZQWZRYDZLDOQJE-KRWDZBQOSA-N 1 0 383.496 2.125 40 0 GEABRO CN([C@H]1CCC[N@H+](Cc2cnn(C)c2)CC1)S(=O)(=O)Cc1ccccc1 ZINC000019749690 210293091 /nfs/dbraw/zinc/29/30/91/210293091.db2.gz GTQHUJWTHCQLAV-IBGZPJMESA-N 1 0 376.526 2.236 40 0 GEABRO Cc1cc2ccccc2n1CC(=O)N1CCn2c(nnc2[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000019752315 210292664 /nfs/dbraw/zinc/29/26/64/210292664.db2.gz PEIJIBWPKYUJDP-GOSISDBHSA-N 1 0 392.507 2.393 40 0 GEABRO Cn1c(=O)c2ccc([C@H]3CCC[N@H+](CCc4ccccc4)C3)nc2n(C)c1=O ZINC000019743467 210290845 /nfs/dbraw/zinc/29/08/45/210290845.db2.gz OEPUJSHUAHHCRT-KRWDZBQOSA-N 1 0 378.476 2.054 40 0 GEABRO COCCOc1ccc(CN2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1OC ZINC000019593759 210274735 /nfs/dbraw/zinc/27/47/35/210274735.db2.gz SNRPWSAMWKZKHA-IBGZPJMESA-N 1 0 398.507 2.493 40 0 GEABRO CC(C)[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CC(C)(C)C)C1)C2=O ZINC000019699891 210282675 /nfs/dbraw/zinc/28/26/75/210282675.db2.gz VRALZRXWHDSZGG-INIZCTEOSA-N 1 0 392.544 2.208 40 0 GEABRO Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019580668 210269279 /nfs/dbraw/zinc/26/92/79/210269279.db2.gz RQTIXRIJUWDTTD-MRXNPFEDSA-N 1 0 383.496 2.408 40 0 GEABRO C[N@@H+]1CC[C@@H](c2ncc3c(n2)CCN(C(=O)CCn2ncc4ccccc42)C3)C1 ZINC000019587947 210273101 /nfs/dbraw/zinc/27/31/01/210273101.db2.gz AWRYLAGGEVOOFV-QGZVFWFLSA-N 1 0 390.491 2.220 40 0 GEABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4n[nH]c5c4CCCC5)C3)ncc2C1 ZINC000019590426 210271733 /nfs/dbraw/zinc/27/17/33/210271733.db2.gz BRPIQLLZJZPJFJ-CQSZACIVSA-N 1 0 380.496 2.086 40 0 GEABRO O[C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3)CC3(CN(Cc4ccccc4F)C3)N2C1 ZINC000514288445 560035068 /nfs/dbraw/zinc/03/50/68/560035068.db2.gz ACZQANYCKWENJO-NHCUHLMSSA-N 1 0 381.495 2.331 40 0 biogenic,in-vitro GEABRO CN1CCN(Cc2nc(C3(O)CC[NH+](Cc4ccccc4)CC3)cs2)CC1 ZINC000225471498 560043180 /nfs/dbraw/zinc/04/31/80/560043180.db2.gz UPUUNFJUGSQYBP-UHFFFAOYSA-N 1 0 386.565 2.374 40 0 biogenic,in-vitro GEABRO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cn1 ZINC000035425682 560080342 /nfs/dbraw/zinc/08/03/42/560080342.db2.gz CTQYSEXMHVTPCJ-HNNXBMFYSA-N 1 0 387.440 2.032 40 0 biogenic,in-vitro GEABRO CN(C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](CC2CCCCC2)C1 ZINC000004236223 560197621 /nfs/dbraw/zinc/19/76/21/560197621.db2.gz FSMJYSQZZCEKTL-ZWKOTPCHSA-N 1 0 386.540 2.348 40 0 biogenic,in-vitro GEABRO Cc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(NC2CCCC2)[nH+]1 ZINC000329068671 570216428 /nfs/dbraw/zinc/21/64/28/570216428.db2.gz YRUDGHXGGDKTDJ-UHFFFAOYSA-N 1 0 387.509 2.350 40 0 GEABRO CC(C)[N@H+](Cc1ccccc1)C[C@@]1(O)CCN(C(=O)Cc2ccccc2)C[C@@H]1O ZINC000585286188 570255599 /nfs/dbraw/zinc/25/55/99/570255599.db2.gz WYRBVKVSUKPBDK-UPVQGACJSA-N 1 0 396.531 2.464 40 0 GEABRO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCCN2C(=O)/C=C/C[NH+](C)C)n1 ZINC000585291392 570260339 /nfs/dbraw/zinc/26/03/39/570260339.db2.gz CAMCERVIJBFDHT-NADMHLTPSA-N 1 0 381.484 2.490 40 0 GEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(O)c1 ZINC000020801156 570281206 /nfs/dbraw/zinc/28/12/06/570281206.db2.gz BWHAEMPMYDVHAP-MOPGFXCFSA-N 1 0 393.443 2.157 40 0 GEABRO Cc1c(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c2ccccc2n1CC(N)=O ZINC000022863427 570332192 /nfs/dbraw/zinc/33/21/92/570332192.db2.gz YKOZOTVAXSIXEH-GOSISDBHSA-N 1 0 384.524 2.122 40 0 GEABRO CC(C)C[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382178 570353289 /nfs/dbraw/zinc/35/32/89/570353289.db2.gz JFNJURZZYRJCMV-XRXFAXGQSA-N 1 0 385.508 2.202 40 0 biogenic,in-vitro GEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCCCC2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382157 570353548 /nfs/dbraw/zinc/35/35/48/570353548.db2.gz IAFYNFFDTUUFOL-XRXFAXGQSA-N 1 0 382.508 2.361 40 0 biogenic,in-vitro GEABRO CC[NH+](CC)CCN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000005469546 570441282 /nfs/dbraw/zinc/44/12/82/570441282.db2.gz KXICOVXYHUDRPN-UHFFFAOYSA-N 1 0 396.534 2.408 40 0 GEABRO C[C@@H]1CCC[N@@H+](C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000035311630 570467138 /nfs/dbraw/zinc/46/71/38/570467138.db2.gz HFNFSFJWXNTGPG-OAHLLOKOSA-N 1 0 380.510 2.343 40 0 GEABRO C[N@@H+](Cc1ccc(OCCOCCO)cc1)C[C@H](O)COC1CCCCC1 ZINC000257305209 570488752 /nfs/dbraw/zinc/48/87/52/570488752.db2.gz SOXORSZTHRIKKN-IBGZPJMESA-N 1 0 381.513 2.216 40 0 GEABRO COC(=O)c1ccc(CS(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000030857032 570498853 /nfs/dbraw/zinc/49/88/53/570498853.db2.gz QSSGRUIKNZZHQW-IYBDPMFKSA-N 1 0 382.526 2.261 40 0 GEABRO CC(C)(C)c1ccc(N(CC(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)cc1 ZINC000010450179 570570590 /nfs/dbraw/zinc/57/05/90/570570590.db2.gz RHZHNRRLPRLHBB-UHFFFAOYSA-N 1 0 395.569 2.352 40 0 GEABRO CCNC(=S)N(CCC[NH+](C)C)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000004161995 570620588 /nfs/dbraw/zinc/62/05/88/570620588.db2.gz OUAROZNZIIABMW-UHFFFAOYSA-N 1 0 376.526 2.185 40 0 GEABRO Cc1c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)sc2ncn(C)c(=O)c12 ZINC000012205154 570625950 /nfs/dbraw/zinc/62/59/50/570625950.db2.gz OAWVLMWVCXDIHF-CHWSQXEVSA-N 1 0 376.526 2.401 40 0 GEABRO CCn1cncc1C[N@@H+]1CCC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000012221329 570628128 /nfs/dbraw/zinc/62/81/28/570628128.db2.gz MQBQFHJEOYMLEY-KRWDZBQOSA-N 1 0 395.511 2.163 40 0 GEABRO O=C(COc1ccc(C[N@H+]2CC[C@](O)(c3ccccc3)C2)cc1)N1CCOCC1 ZINC000012241295 570630064 /nfs/dbraw/zinc/63/00/64/570630064.db2.gz QSGWKBYLJOTJCH-HSZRJFAPSA-N 1 0 396.487 2.018 40 0 GEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000260772699 570704892 /nfs/dbraw/zinc/70/48/92/570704892.db2.gz VYZPZJISHUALDF-IBGZPJMESA-N 1 0 395.569 2.219 40 0 GEABRO CS(=O)(=O)CCN1C(=O)CC[C@@]12CCC[N@H+](CCc1ccccc1)CC2 ZINC000585100571 570924834 /nfs/dbraw/zinc/92/48/34/570924834.db2.gz OAISTLKQPUOYKP-HXUWFJFHSA-N 1 0 378.538 2.121 40 0 GEABRO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H](O)C4)C3)CC2)c1 ZINC000585104032 570929673 /nfs/dbraw/zinc/92/96/73/570929673.db2.gz KREWQSVFODBLGO-ZWKOTPCHSA-N 1 0 388.508 2.169 40 0 GEABRO C[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)c3ccnc(F)c3)C2)C1 ZINC000585103381 570932124 /nfs/dbraw/zinc/93/21/24/570932124.db2.gz VDGHUGRIIAIWLC-LAUBAEHRSA-N 1 0 384.455 2.226 40 0 GEABRO C[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccn2)CC3)C1 ZINC000585104620 570933732 /nfs/dbraw/zinc/93/37/32/570933732.db2.gz RXURXXHLHDOUEZ-ROUUACIJSA-N 1 0 393.553 2.373 40 0 GEABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CC[C@H](O)C4)C3)CC2)cc1F ZINC000585104847 570934244 /nfs/dbraw/zinc/93/42/44/570934244.db2.gz UIAVPNBNWHEROA-ROUUACIJSA-N 1 0 376.472 2.212 40 0 GEABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000585106165 570935798 /nfs/dbraw/zinc/93/57/98/570935798.db2.gz TZIICQBWQDKFCG-DBVUQKKJSA-N 1 0 399.535 2.394 40 0 GEABRO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC(C)C)C[C@@H]23)s1 ZINC000585106126 570935864 /nfs/dbraw/zinc/93/58/64/570935864.db2.gz OVBOGKCSEJECBO-CVEARBPZSA-N 1 0 375.538 2.365 40 0 GEABRO CC[NH+]1CCN([C@@H](CC(C)C)c2nnnn2Cc2ccc3c(c2)OCO3)CC1 ZINC000020141694 570942070 /nfs/dbraw/zinc/94/20/70/570942070.db2.gz SIFIKXUKJRQDAF-KRWDZBQOSA-N 1 0 386.500 2.175 40 0 GEABRO O=S(=O)(c1ccccc1F)N1Cc2ccnn2[C@H](CC[NH+]2CCCC2)C1 ZINC000585112419 570942589 /nfs/dbraw/zinc/94/25/89/570942589.db2.gz PIIYRZGIAQJQFE-MRXNPFEDSA-N 1 0 378.473 2.254 40 0 GEABRO CCN1CCN(C(=O)C[NH3+])C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183645 571001240 /nfs/dbraw/zinc/00/12/40/571001240.db2.gz YUTXBOFIQIZBPF-FQEVSTJZSA-N 1 0 379.504 2.470 40 0 GEABRO COc1cccc(C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c1OC ZINC000019567385 210265175 /nfs/dbraw/zinc/26/51/75/210265175.db2.gz IURYNNXHOVJPAL-CQSZACIVSA-N 1 0 382.464 2.159 40 0 GEABRO Cc1c2ccccc2oc1C(=O)N1CC[C@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019565997 210265040 /nfs/dbraw/zinc/26/50/40/210265040.db2.gz WCYZSPVSMNAPER-AWEZNQCLSA-N 1 0 390.447 2.469 40 0 GEABRO COc1cccc(C[NH+]2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)c1 ZINC000019564817 210264906 /nfs/dbraw/zinc/26/49/06/210264906.db2.gz LLOUXWGRKDSXDT-UHFFFAOYSA-N 1 0 379.460 2.432 40 0 GEABRO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000019557058 210263664 /nfs/dbraw/zinc/26/36/64/210263664.db2.gz DPQSLGGEPNBWCB-GOSISDBHSA-N 1 0 388.493 2.047 40 0 GEABRO Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c(C)c1C ZINC000019556180 210262343 /nfs/dbraw/zinc/26/23/43/210262343.db2.gz VVMQTVLLXWFMFN-SUMWQHHRSA-N 1 0 382.512 2.211 40 0 GEABRO COc1ccc(OC)c(CC(=O)N2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019551378 210260624 /nfs/dbraw/zinc/26/06/24/210260624.db2.gz MTVZEJPKXCFAES-GOSISDBHSA-N 1 0 382.464 2.046 40 0 GEABRO CC[NH+]1CCN(c2nc([C@@H]3CC(=O)N(c4cccc(C)c4C)C3)cc(=O)[nH]2)CC1 ZINC000019528241 210258153 /nfs/dbraw/zinc/25/81/53/210258153.db2.gz HUDSZVLWVGPCGK-QGZVFWFLSA-N 1 0 395.507 2.461 40 0 GEABRO CC1CC[NH+](CC(=O)N2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019496866 210253513 /nfs/dbraw/zinc/25/35/13/210253513.db2.gz VMGPOUXKNNFDGB-SFHVURJKSA-N 1 0 386.540 2.408 40 0 GEABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)c3cc4ccccc4o3)C2)c2nccnc21 ZINC000019376261 210246927 /nfs/dbraw/zinc/24/69/27/210246927.db2.gz KTHUVAAAUADOIS-CQSZACIVSA-N 1 0 376.420 2.161 40 0 GEABRO O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019345909 210243616 /nfs/dbraw/zinc/24/36/16/210243616.db2.gz WZAJYWJTDNOYMH-YJYMSZOUSA-N 1 0 398.894 2.485 40 0 GEABRO O=C(Cc1ccc2c(c1)CCCO2)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019345707 210242179 /nfs/dbraw/zinc/24/21/79/210242179.db2.gz SPXGTUUIBCAHJX-SFHVURJKSA-N 1 0 392.503 2.396 40 0 GEABRO NC(=O)CC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)C1 ZINC000019335783 210241693 /nfs/dbraw/zinc/24/16/93/210241693.db2.gz FKYMISMZOVKLHL-SJORKVTESA-N 1 0 391.487 2.031 40 0 GEABRO O=C([C@H]1CC(=O)OC12CCCCC2)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019292425 210238581 /nfs/dbraw/zinc/23/85/81/210238581.db2.gz CZMIVSATTPDABM-QGZVFWFLSA-N 1 0 398.507 2.094 40 0 GEABRO Cn1nc(-c2cccnc2)cc1C[NH+]1CCC(NC(=O)Cc2ccccn2)CC1 ZINC000019288988 210238225 /nfs/dbraw/zinc/23/82/25/210238225.db2.gz JDYAUBMTWIYELZ-UHFFFAOYSA-N 1 0 390.491 2.200 40 0 GEABRO Cn1nc2c(c1C(=O)N1CCc3nc(C4CC[NH+](C)CC4)ncc3C1)CCCC2 ZINC000019288652 210238148 /nfs/dbraw/zinc/23/81/48/210238148.db2.gz LOXTYBXJIKORMS-UHFFFAOYSA-N 1 0 394.523 2.097 40 0 GEABRO CC(=O)OCc1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)o1 ZINC000019023041 210223417 /nfs/dbraw/zinc/22/34/17/210223417.db2.gz YYJHCPMNHOFYNX-UHFFFAOYSA-N 1 0 394.431 2.089 40 0 GEABRO C[C@@H](Oc1ccc(F)cc1)C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000019080351 210223439 /nfs/dbraw/zinc/22/34/39/210223439.db2.gz TZBPOEFZATUAAD-CABCVRRESA-N 1 0 397.454 2.231 40 0 GEABRO COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019078549 210223069 /nfs/dbraw/zinc/22/30/69/210223069.db2.gz TYDNBXPDQHVYBG-HOTGVXAUSA-N 1 0 396.491 2.304 40 0 GEABRO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4ccccn4)n3)C2)cc1CO ZINC000012329022 209941859 /nfs/dbraw/zinc/94/18/59/209941859.db2.gz VVUIZTBRKGFDKL-QGZVFWFLSA-N 1 0 394.479 2.148 40 0 GEABRO CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(C[NH3+])NC(=O)OC(C)(C)C ZINC000218623097 532482842 /nfs/dbraw/zinc/48/28/42/532482842.db2.gz ZTGXNBPVGAEIBE-GRDNDAEWSA-N 1 0 388.917 2.463 40 0 GEABRO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(NCCO)[nH+]1 ZINC000329050117 532801855 /nfs/dbraw/zinc/80/18/55/532801855.db2.gz UTDFLFCXGRVHOS-UHFFFAOYSA-N 1 0 377.286 2.768 40 0 GEABRO CN(C)C(=O)NC[C@H]1N(C(=O)Cc2ccsc2)CCCC12CC[NH+](C)CC2 ZINC000306141049 212053012 /nfs/dbraw/zinc/05/30/12/212053012.db2.gz VKCHGJOPTOEYJS-QGZVFWFLSA-N 1 0 392.569 2.265 40 0 GEABRO c1cncc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306130565 212047235 /nfs/dbraw/zinc/04/72/35/212047235.db2.gz JJWASQRORQCRAY-GOSISDBHSA-N 1 0 378.480 2.341 40 0 GEABRO CC(=O)N[C@]12CN(C(=O)c3cscn3)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2 ZINC000257284708 212016720 /nfs/dbraw/zinc/01/67/20/212016720.db2.gz PDXNSBPORIIMRT-YVWKXTFCSA-N 1 0 384.505 2.167 40 0 GEABRO Cn1ccc(NC(=O)C[N@@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)n1 ZINC000257269809 212014817 /nfs/dbraw/zinc/01/48/17/212014817.db2.gz MRLOWUUXTOKDIK-FGSXEWAUSA-N 1 0 395.507 2.103 40 0 GEABRO Cc1cc(Nc2cc(C3CCN(C(=O)[C@@H]4CCCC[NH2+]4)CC3)nc(C)n2)n[nH]1 ZINC000257273989 212013721 /nfs/dbraw/zinc/01/37/21/212013721.db2.gz NJBMLRYZZTTXMO-INIZCTEOSA-N 1 0 383.500 2.408 40 0 GEABRO C[NH+](C)CCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccncc2)n1 ZINC000329065072 209158676 /nfs/dbraw/zinc/15/86/76/209158676.db2.gz XOPJCDPOXRJNFP-UHFFFAOYSA-N 1 0 384.871 2.459 40 0 GEABRO C[NH+](C)CCCNc1nc(NCc2ccccc2F)cc(-c2cccnc2)n1 ZINC000329064399 209159362 /nfs/dbraw/zinc/15/93/62/209159362.db2.gz XJSWBUSQNKXPCR-UHFFFAOYSA-N 1 0 380.471 2.497 40 0 GEABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)C3CCC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257213907 212003815 /nfs/dbraw/zinc/00/38/15/212003815.db2.gz CJPVLXLCMKPJOI-FIXSFTCYSA-N 1 0 399.579 2.392 40 0 GEABRO Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000224138420 211854339 /nfs/dbraw/zinc/85/43/39/211854339.db2.gz FPWSOGNOFCJWFO-UHFFFAOYSA-N 1 0 375.494 2.112 40 0 GEABRO CCN1CC[C@@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccoc2)CC3)C1=O ZINC000097952890 211373443 /nfs/dbraw/zinc/37/34/43/211373443.db2.gz VASOFEWDRPVAPR-JOCHJYFZSA-N 1 0 395.507 2.411 40 0 GEABRO C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccncc1)CC3 ZINC000096262431 211327319 /nfs/dbraw/zinc/32/73/19/211327319.db2.gz IPUYZMDZNUXQAG-WMZHIEFXSA-N 1 0 396.535 2.268 40 0 GEABRO COc1cccc(C[N@H+]2CCc3nc(C(=O)N4CCOCC4)sc3CC2)c1 ZINC000096147018 211310623 /nfs/dbraw/zinc/31/06/23/211310623.db2.gz HDCZABBCBBETBG-UHFFFAOYSA-N 1 0 387.505 2.225 40 0 GEABRO CC(C)[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cn(C)cn1)Cc1ccccc12 ZINC000096242408 211322403 /nfs/dbraw/zinc/32/24/03/211322403.db2.gz ZPRFMVDOBYENGC-UHFFFAOYSA-N 1 0 388.537 2.367 40 0 GEABRO C[NH+](C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228823 211321809 /nfs/dbraw/zinc/32/18/09/211321809.db2.gz ICZLNWFBXYRTKB-QFIPXVFZSA-N 1 0 384.524 2.284 40 0 GEABRO CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccn3)CC2)O1 ZINC000096036876 211296329 /nfs/dbraw/zinc/29/63/29/211296329.db2.gz AKXDYRMQKPDTQO-GOSISDBHSA-N 1 0 383.496 2.037 40 0 GEABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)Cc3cccs3)CC2)[C@@]2(CCNC2=O)C1 ZINC000096144154 211307652 /nfs/dbraw/zinc/30/76/52/211307652.db2.gz CZBZEMIUEJXCHL-NRFANRHFSA-N 1 0 389.565 2.377 40 0 GEABRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373082 211103590 /nfs/dbraw/zinc/10/35/90/211103590.db2.gz USPWHYGACXACMI-KSZLIROESA-N 1 0 386.540 2.406 40 0 GEABRO COc1ccc2c(c1)c([C@H]1C[N@H+](Cc3cn(C)nc3C)C[C@@H]1NC(C)=O)cn2C ZINC000072395543 211109606 /nfs/dbraw/zinc/10/96/06/211109606.db2.gz PGAVOIRHHJYYGL-RTWAWAEBSA-N 1 0 395.507 2.333 40 0 GEABRO C[NH+]1CCC(C(=O)N2CCN(c3ccccc3)C[C@@H](Cc3cnccn3)C2)CC1 ZINC000072355244 211099599 /nfs/dbraw/zinc/09/95/99/211099599.db2.gz RIXNHDSGXFFASV-LJQANCHMSA-N 1 0 393.535 2.326 40 0 GEABRO CC(=O)NCc1cnc([C@H]2CCCN2C(=O)C[NH+]2CCCC2)cc1C(F)(F)F ZINC000072356158 211099121 /nfs/dbraw/zinc/09/91/21/211099121.db2.gz OYTZWBFCMOEDRX-QGZVFWFLSA-N 1 0 398.429 2.496 40 0 GEABRO CC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355061 211098504 /nfs/dbraw/zinc/09/85/04/211098504.db2.gz DMIJMEITXXKJGY-SFHVURJKSA-N 1 0 385.487 2.205 40 0 GEABRO CNC(=O)c1cnc(C)nc1CC[NH2+]Cc1cnc(-c2ccc(C)cc2)nc1 ZINC000072352085 211096854 /nfs/dbraw/zinc/09/68/54/211096854.db2.gz GRLYWNSXSKRVKN-UHFFFAOYSA-N 1 0 376.464 2.242 40 0 GEABRO CN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2F)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334448 211092257 /nfs/dbraw/zinc/09/22/57/211092257.db2.gz BXLQJDVLOKYLGH-PGRDOPGGSA-N 1 0 381.451 2.071 40 0 GEABRO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334506 211091234 /nfs/dbraw/zinc/09/12/34/211091234.db2.gz VETMZBRJWXVPEC-WMZHIEFXSA-N 1 0 392.503 2.153 40 0 GEABRO CSc1ccc([C@@H]2NC(=[NH+]C[C@@H]3CCCO3)Nc3nc(C)cc(=O)n32)cc1 ZINC000104138227 533003161 /nfs/dbraw/zinc/00/31/61/533003161.db2.gz MVTLZSLAZSQWFV-WMLDXEAASA-N 1 0 385.493 2.371 40 0 GEABRO COc1ccccc1CC(=O)N(C)Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)C)n1 ZINC000019709956 210286257 /nfs/dbraw/zinc/28/62/57/210286257.db2.gz IWGHWAOXDNLYMQ-KRWDZBQOSA-N 1 0 397.523 2.219 40 0 GEABRO CNc1nc([C@@H]2CCCN(CC(=O)Nc3ccccc3F)C2)nc2c1C[NH2+]CC2 ZINC000019711490 210285674 /nfs/dbraw/zinc/28/56/74/210285674.db2.gz UTOJYFDTCVSVHK-CQSZACIVSA-N 1 0 398.486 2.121 40 0 GEABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)c2nccc4ccccc42)C3)C1 ZINC000019711052 210285564 /nfs/dbraw/zinc/28/55/64/210285564.db2.gz SIWBLBVRIKBWMR-MRXNPFEDSA-N 1 0 376.464 2.292 40 0 GEABRO Cn1nccc1C[NH+]1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1 ZINC000019757004 210293390 /nfs/dbraw/zinc/29/33/90/210293390.db2.gz NYFGNYQKQKXFNZ-UHFFFAOYSA-N 1 0 382.512 2.337 40 0 GEABRO CCCN1CCc2cc(-c3cncn3CC[NH2+][C@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719712 210289859 /nfs/dbraw/zinc/28/98/59/210289859.db2.gz HQDYGRXBNBUEOF-SFHVURJKSA-N 1 0 388.537 2.099 40 0 GEABRO CCN1CCCc2cc(-c3cncn3CC[NH2+][C@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719394 210289088 /nfs/dbraw/zinc/28/90/88/210289088.db2.gz BJLNMVBQXPZUMN-SFHVURJKSA-N 1 0 388.537 2.099 40 0 GEABRO CCc1cc2c(ncn(CC(=O)N3CCC(CC[NH+](C)C)CC3)c2=O)s1 ZINC000019665597 210279156 /nfs/dbraw/zinc/27/91/56/210279156.db2.gz HDOYHUBOVFHKRO-UHFFFAOYSA-N 1 0 376.526 2.211 40 0 GEABRO Cc1ccc(-c2cnc(NC(=O)[C@H]3CCC[N@H+](CCC(N)=O)C3)n2C)cc1C ZINC000019654809 210278186 /nfs/dbraw/zinc/27/81/86/210278186.db2.gz DLWUWCMSUKFZLU-KRWDZBQOSA-N 1 0 383.496 2.230 40 0 GEABRO COC(=O)c1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)cc1 ZINC000019592541 210276165 /nfs/dbraw/zinc/27/61/65/210276165.db2.gz ARDRXFMJGSYVAI-FDFHNCONSA-N 1 0 380.488 2.335 40 0 GEABRO C[NH+](C)CC1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)N1)Cc1ccccc1O2 ZINC000019581824 210270226 /nfs/dbraw/zinc/27/02/26/210270226.db2.gz VDKUJMQRKUXVLC-OJCRERRGSA-N 1 0 385.508 2.177 40 0 GEABRO COc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019590416 210273302 /nfs/dbraw/zinc/27/33/02/210273302.db2.gz TYOACNGBMBYMOY-QGZVFWFLSA-N 1 0 380.492 2.422 40 0 GEABRO COc1ccc(CCC(=O)N2CCc3nc([C@H]4CC[N@H+](C)C4)ncc3C2)cc1 ZINC000019587941 210272761 /nfs/dbraw/zinc/27/27/61/210272761.db2.gz AEUYSVVQLUTOCH-KRWDZBQOSA-N 1 0 380.492 2.422 40 0 GEABRO COc1cccc(OC)c1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019590530 210272827 /nfs/dbraw/zinc/27/28/27/210272827.db2.gz JBMOGSHNVAPGFT-MRXNPFEDSA-N 1 0 382.464 2.459 40 0 GEABRO COc1cccc(OC)c1C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019590531 210272035 /nfs/dbraw/zinc/27/20/35/210272035.db2.gz JBMOGSHNVAPGFT-INIZCTEOSA-N 1 0 382.464 2.459 40 0 GEABRO COc1ccc(C(=O)N2CC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c(OC)c1 ZINC000019590638 210271623 /nfs/dbraw/zinc/27/16/23/210271623.db2.gz QBZSTJZNULSIMA-CQSZACIVSA-N 1 0 382.464 2.111 40 0 GEABRO Cc1ccc(N2CCCc3sc(C(=O)N4CCC([NH+](C)C)CC4)nc32)nn1 ZINC000096264640 136185869 /nfs/dbraw/zinc/18/58/69/136185869.db2.gz HEXFMKPHFZKJEV-UHFFFAOYSA-N 1 0 386.525 2.492 40 0 GEABRO C[NH+]1CCC(CCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1 ZINC000224386689 136207014 /nfs/dbraw/zinc/20/70/14/136207014.db2.gz XVFRRHSTRAYJAK-UHFFFAOYSA-N 1 0 379.526 2.078 40 0 GEABRO COc1cccc(C[NH2+][C@@H]2[C@@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)c1 ZINC000072321891 560077292 /nfs/dbraw/zinc/07/72/92/560077292.db2.gz FTSDYEISOLXJEW-JOCBIADPSA-N 1 0 382.382 2.477 40 0 biogenic,in-vitro GEABRO c1c(-c2ccccn2)nnn1[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2[NH2+]CCCc1ccccc1 ZINC000005396688 560201593 /nfs/dbraw/zinc/20/15/93/560201593.db2.gz UNGFXIWCEMFLDU-FNAHDJPLSA-N 1 0 391.475 2.270 40 0 biogenic,in-vitro GEABRO O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000012602382 560213190 /nfs/dbraw/zinc/21/31/90/560213190.db2.gz GOEFWMJPMAJBFU-XYJFISCASA-N 1 0 397.972 2.425 40 0 biogenic,in-vitro GEABRO COc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)c3)CCC[C@H]2O)cc1 ZINC000015672062 560230308 /nfs/dbraw/zinc/23/03/08/560230308.db2.gz PDIPQIMCDBMUSV-NHCUHLMSSA-N 1 0 384.476 2.459 40 0 biogenic,in-vitro GEABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)N1CCOCC1 ZINC000015673308 560230670 /nfs/dbraw/zinc/23/06/70/560230670.db2.gz DLEVCYNTXWLROA-IRXDYDNUSA-N 1 0 387.455 2.498 40 0 biogenic,in-vitro GEABRO CCOCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 ZINC000585269635 570237416 /nfs/dbraw/zinc/23/74/16/570237416.db2.gz FAHZXTZKFCHGMU-OALUTQOASA-N 1 0 384.467 2.378 40 0 GEABRO COCC(=O)N1CC[N@@H+](C2CCCCC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585282692 570250888 /nfs/dbraw/zinc/25/08/88/570250888.db2.gz MXEZXGKQEUSQOS-NRFANRHFSA-N 1 0 394.487 2.059 40 0 GEABRO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@H+](CC3(O)CCCCC3)CC[C@@H]2O)c1 ZINC000585288142 570259072 /nfs/dbraw/zinc/25/90/72/570259072.db2.gz XMHSUBHBJQFFFP-UNMCSNQZSA-N 1 0 377.525 2.484 40 0 GEABRO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000585293856 570263201 /nfs/dbraw/zinc/26/32/01/570263201.db2.gz BCZRWWIVPYBIBD-LNRXMEIDSA-N 1 0 384.451 2.125 40 0 GEABRO COC[C@@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218169591 570326947 /nfs/dbraw/zinc/32/69/47/570326947.db2.gz FOIWZHDAUZQLQA-UFYCRDLUSA-N 1 0 389.473 2.255 40 0 GEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2cccnc2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382063 570353101 /nfs/dbraw/zinc/35/31/01/570353101.db2.gz BSIFVSBEJPBKSW-GXRSIYKFSA-N 1 0 390.487 2.229 40 0 biogenic,in-vitro GEABRO CC(C)OCCCNC(=O)[C@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1 ZINC000057773588 570374117 /nfs/dbraw/zinc/37/41/17/570374117.db2.gz QRWGIBCOQNSIMA-UZLBHIALSA-N 1 0 379.501 2.022 40 0 GEABRO O=C(Nc1ccc2c(c1)OCCO2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000035313708 570468144 /nfs/dbraw/zinc/46/81/44/570468144.db2.gz SAMZPJJWGFSGDE-UHFFFAOYSA-N 1 0 395.459 2.177 40 0 GEABRO COC(=O)c1ccc(CS(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000030857042 570498828 /nfs/dbraw/zinc/49/88/28/570498828.db2.gz QSSGRUIKNZZHQW-HOTGVXAUSA-N 1 0 382.526 2.261 40 0 GEABRO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC[NH+](C)C)cc2C)cc1 ZINC000224210839 570503743 /nfs/dbraw/zinc/50/37/43/570503743.db2.gz MYMHMJJHRINFLL-UHFFFAOYSA-N 1 0 389.521 2.420 40 0 GEABRO CN(c1cccc(C(=O)NCCC[NH+](C)C)c1)S(=O)(=O)c1ccccc1 ZINC000224254300 570505974 /nfs/dbraw/zinc/50/59/74/570505974.db2.gz ALFTYHKNBXDYDD-UHFFFAOYSA-N 1 0 375.494 2.193 40 0 GEABRO CN(c1ccc(Cl)c(C(=O)NCC[NH+](C)C)c1)S(=O)(=O)c1ccccc1 ZINC000224335180 570509826 /nfs/dbraw/zinc/50/98/26/570509826.db2.gz HLLGXKSKLVHRQC-UHFFFAOYSA-N 1 0 395.912 2.457 40 0 GEABRO C/C=C1/C[N@@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC[C@H](O)CO)cc21 ZINC000008581509 570534904 /nfs/dbraw/zinc/53/49/04/570534904.db2.gz MFOCUXNEPWLHOJ-HANSGLKOSA-N 1 0 384.476 2.041 40 0 GEABRO C[NH+](C)CCNC(=O)CN1N=C(C(C)(C)C)Cn2c3ccsc3cc2C1=O ZINC000012145887 570616753 /nfs/dbraw/zinc/61/67/53/570616753.db2.gz ZUFKZPUCLYCZKG-UHFFFAOYSA-N 1 0 389.525 2.239 40 0 GEABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCOC[C@H]3CCCO3)cc12 ZINC000012186486 570620978 /nfs/dbraw/zinc/62/09/78/570620978.db2.gz UFVATHXHFFGBEZ-GOSISDBHSA-N 1 0 382.464 2.307 40 0 GEABRO O[C@H](C[NH+]1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCCO2 ZINC000012292101 570633264 /nfs/dbraw/zinc/63/32/64/570633264.db2.gz CVBNKPKWEXCGKV-QGZVFWFLSA-N 1 0 399.443 2.204 40 0 GEABRO COc1ccc(C2(O)CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012292119 570633315 /nfs/dbraw/zinc/63/33/15/570633315.db2.gz MTCPSSKVKPTLDB-LJQANCHMSA-N 1 0 385.460 2.483 40 0 GEABRO C[C@H](C(=O)NCCC[NH+]1CCCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000010111184 570781915 /nfs/dbraw/zinc/78/19/15/570781915.db2.gz OTLGXGCUAFFGBI-QGZVFWFLSA-N 1 0 381.542 2.223 40 0 GEABRO CNc1cc(C[NH2+]C)nc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)n1 ZINC000019760627 570888728 /nfs/dbraw/zinc/88/87/28/570888728.db2.gz GVSVFXLLGYIXBA-AWEZNQCLSA-N 1 0 395.916 2.417 40 0 GEABRO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000257230122 570892508 /nfs/dbraw/zinc/89/25/08/570892508.db2.gz GAXWQFPSCCAMEE-FGTMMUONSA-N 1 0 386.540 2.406 40 0 GEABRO C[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(C(=O)C3CC(F)(F)C3)C2)C1 ZINC000585103257 570931573 /nfs/dbraw/zinc/93/15/73/570931573.db2.gz SJRBCNRRUXXTOI-PKOBYXMFSA-N 1 0 379.451 2.424 40 0 GEABRO Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](C[NH+]4CCC(O)CC4)C3)CC2)s1 ZINC000585103112 570931769 /nfs/dbraw/zinc/93/17/69/570931769.db2.gz DEGFJGPQPDSWPP-QGZVFWFLSA-N 1 0 393.553 2.228 40 0 GEABRO Cc1ncsc1C[NH+]1CCC2(CC1)OCC[C@@H]2CCOCC(=O)N(C)C ZINC000585104999 570934138 /nfs/dbraw/zinc/93/41/38/570934138.db2.gz NRIRGHBXJZSROR-INIZCTEOSA-N 1 0 381.542 2.318 40 0 GEABRO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccsc2)CC1 ZINC000585106163 570935881 /nfs/dbraw/zinc/93/58/81/570935881.db2.gz TWYIDGKFKLSESB-MSOLQXFVSA-N 1 0 389.565 2.376 40 0 GEABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2scnc2C)CC1 ZINC000585106127 570935940 /nfs/dbraw/zinc/93/59/40/570935940.db2.gz OYQDAFHNWFKWLM-BMFZPTHFSA-N 1 0 390.553 2.150 40 0 GEABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2scnc2C)CC1 ZINC000585106128 570935952 /nfs/dbraw/zinc/93/59/52/570935952.db2.gz OYQDAFHNWFKWLM-IMJJTQAJSA-N 1 0 390.553 2.150 40 0 GEABRO O=S(=O)(c1ccc(F)cc1)N1Cc2ccnn2[C@@H](CC[NH+]2CCCC2)C1 ZINC000585112604 570943032 /nfs/dbraw/zinc/94/30/32/570943032.db2.gz UEDWQVQHRJPLKH-KRWDZBQOSA-N 1 0 378.473 2.254 40 0 GEABRO COc1ccc(CC(=O)N2CC[C@@H](c3nn(CC[NH3+])c4ncccc34)C2)cc1F ZINC000019559532 210263410 /nfs/dbraw/zinc/26/34/10/210263410.db2.gz RRYHRRIFQDFWSQ-OAHLLOKOSA-N 1 0 397.454 2.096 40 0 GEABRO COc1ccc(C(=O)N2CCc3nc(C4CC[NH2+]CC4)ncc3C2)c(OC)c1 ZINC000019551972 210260609 /nfs/dbraw/zinc/26/06/09/210260609.db2.gz XGTITSDWCCFBEL-UHFFFAOYSA-N 1 0 382.464 2.159 40 0 GEABRO Cc1c(C[NH+]2CCC(c3cc(C(=O)N[C@H]4CCCOC4)on3)CC2)cnn1C ZINC000019553573 210260767 /nfs/dbraw/zinc/26/07/67/210260767.db2.gz IYTVIBIZVZXKLF-KRWDZBQOSA-N 1 0 387.484 2.005 40 0 GEABRO CCOc1ccc(CC(=O)N2CC[C@H](c3nn(CC[NH3+])c4ncccc34)C2)cc1 ZINC000019532790 210258562 /nfs/dbraw/zinc/25/85/62/210258562.db2.gz BPNFEZUDDXSUGU-KRWDZBQOSA-N 1 0 393.491 2.347 40 0 GEABRO CCOc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)cc1 ZINC000019533389 210257641 /nfs/dbraw/zinc/25/76/41/210257641.db2.gz IHOWJVMVXDICCS-UHFFFAOYSA-N 1 0 384.480 2.018 40 0 GEABRO CCc1nccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019523565 210256412 /nfs/dbraw/zinc/25/64/12/210256412.db2.gz JASRDWKQRXYGAB-QAPCUYQASA-N 1 0 382.512 2.271 40 0 GEABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000019500316 210254086 /nfs/dbraw/zinc/25/40/86/210254086.db2.gz XANIMAYPTQTDAN-FQEVSTJZSA-N 1 0 397.567 2.482 40 0 GEABRO C[C@@H](C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](C)CC3)C1)c1ccccc1 ZINC000019459194 210250312 /nfs/dbraw/zinc/25/03/12/210250312.db2.gz BLEYJRJYYUUGSF-WBVHZDCISA-N 1 0 380.492 2.268 40 0 GEABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21)c1csc2c1CCCC2 ZINC000019404503 210248461 /nfs/dbraw/zinc/24/84/61/210248461.db2.gz GKFMIONYLORGIZ-ZDUSSCGKSA-N 1 0 396.520 2.274 40 0 GEABRO C[NH+](C)CCCNC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000408704910 231099410 /nfs/dbraw/zinc/09/94/10/231099410.db2.gz VNXAESYUOWHMTL-UHFFFAOYSA-N 1 0 375.494 2.197 40 0 GEABRO O=C(CCn1cnc2ccccc21)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019376704 210246797 /nfs/dbraw/zinc/24/67/97/210246797.db2.gz DIINIRAIDXGQBD-UHFFFAOYSA-N 1 0 390.491 2.268 40 0 GEABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)c3cc4ccccc4o3)C2)c2nccnc21 ZINC000019376262 210246355 /nfs/dbraw/zinc/24/63/55/210246355.db2.gz KTHUVAAAUADOIS-AWEZNQCLSA-N 1 0 376.420 2.161 40 0 GEABRO O=C(CCN1CCc2ccccc21)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019375427 210246001 /nfs/dbraw/zinc/24/60/01/210246001.db2.gz FCULKRMPSYANPZ-GOSISDBHSA-N 1 0 391.519 2.281 40 0 GEABRO O=C(Cn1cnc2ccccc21)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019376672 210245800 /nfs/dbraw/zinc/24/58/00/210245800.db2.gz VOAHPAFRPWZNKO-SFHVURJKSA-N 1 0 376.464 2.226 40 0 GEABRO O=C(Cc1ccc2c(c1)OCCO2)N1CCCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019345657 210242165 /nfs/dbraw/zinc/24/21/65/210242165.db2.gz ORDLCSJOTDTYTP-GOSISDBHSA-N 1 0 394.475 2.190 40 0 GEABRO O=C(Cc1ccc2c(c1)OCCCO2)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019345693 210241018 /nfs/dbraw/zinc/24/10/18/210241018.db2.gz LHSQOPBOIXBFEV-SFHVURJKSA-N 1 0 394.475 2.190 40 0 GEABRO Cn1nc(-c2ccccc2F)cc1C[NH+]1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC000019288934 210238568 /nfs/dbraw/zinc/23/85/68/210238568.db2.gz BWWWCIQNSAEWOG-HXUWFJFHSA-N 1 0 386.471 2.486 40 0 GEABRO Cc1ccc([C@H](C)C(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3nccnc32)cc1 ZINC000019136350 210229682 /nfs/dbraw/zinc/22/96/82/210229682.db2.gz KKYGBOBXCODUDY-RDJZCZTQSA-N 1 0 378.480 2.132 40 0 GEABRO Cc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)cc1 ZINC000019209472 210228469 /nfs/dbraw/zinc/22/84/69/210228469.db2.gz QYGYWBXQLOJJMH-QGZVFWFLSA-N 1 0 380.492 2.015 40 0 GEABRO Cc1cc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)sc1C ZINC000019124715 210227336 /nfs/dbraw/zinc/22/73/36/210227336.db2.gz ISSXFWCMSQJJMC-AWEZNQCLSA-N 1 0 386.521 2.456 40 0 GEABRO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019079350 210224124 /nfs/dbraw/zinc/22/41/24/210224124.db2.gz OGANDRQNMUCCPG-CABCVRRESA-N 1 0 384.455 2.435 40 0 GEABRO C[C@H](C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1)[NH+]1CCCC1 ZINC000019078026 210223281 /nfs/dbraw/zinc/22/32/81/210223281.db2.gz LFYARFFVONBRBO-CYBMUJFWSA-N 1 0 387.509 2.084 40 0 GEABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2CC(=O)N(C)C ZINC000019017539 210221446 /nfs/dbraw/zinc/22/14/46/210221446.db2.gz MIXNUOZHGXAHDN-ZVDOUQERSA-N 1 0 375.488 2.473 40 0 GEABRO C[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 ZINC000016010108 210181360 /nfs/dbraw/zinc/18/13/60/210181360.db2.gz WCJOQPZJSOEMBX-YCQQOHMZSA-N 1 0 381.819 2.285 40 0 GEABRO Cc1ccc(N(CCCC(=O)NCC[NH+]2CCCCC2)S(C)(=O)=O)cc1C ZINC000013679490 210077410 /nfs/dbraw/zinc/07/74/10/210077410.db2.gz MASOARIEWCTRFE-UHFFFAOYSA-N 1 0 395.569 2.452 40 0 GEABRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000005519468 209600044 /nfs/dbraw/zinc/60/00/44/209600044.db2.gz RHIKZSOLLYWJSO-ULQDDVLXSA-N 1 0 397.560 2.142 40 0 GEABRO C[NH+](C)CCn1ccc(-c2nc(C(=O)NC[C@H]3CCCO3)c3ccccn32)c1 ZINC000306145063 212056372 /nfs/dbraw/zinc/05/63/72/212056372.db2.gz ZWISCRDEACYVCH-QGZVFWFLSA-N 1 0 381.480 2.273 40 0 GEABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3nccs3)C[C@@H]1C2 ZINC000306144637 212055628 /nfs/dbraw/zinc/05/56/28/212055628.db2.gz ZKNWRQBIZCRDSO-STQMWFEESA-N 1 0 398.467 2.430 40 0 GEABRO C[N@@H+]1CCc2ncnc(-c3ccccc3)c2C[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000306143327 212055465 /nfs/dbraw/zinc/05/54/65/212055465.db2.gz XYZHLJMGXQSIJE-ROUUACIJSA-N 1 0 380.492 2.085 40 0 GEABRO Cn1c(C(=O)NC[C@@H]2CC3(CC[NH+](Cc4cc[nH]n4)CC3)O2)cc2ccccc21 ZINC000306142926 212055073 /nfs/dbraw/zinc/05/50/73/212055073.db2.gz XOGFVWMKSBMCEG-SFHVURJKSA-N 1 0 393.491 2.455 40 0 GEABRO COCCN1CC[C@]2(C[N@H+](Cc3ccccn3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306143443 212054393 /nfs/dbraw/zinc/05/43/93/212054393.db2.gz YCNZVGSDCHUOIV-DENIHFKCSA-N 1 0 397.523 2.324 40 0 GEABRO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccnc3)CC1)COC2 ZINC000306141151 212052453 /nfs/dbraw/zinc/05/24/53/212052453.db2.gz VMOCQTZUFVTZNS-MRXNPFEDSA-N 1 0 398.511 2.014 40 0 GEABRO O=C(c1ncccc1O)N1CCC[C@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257274922 212013752 /nfs/dbraw/zinc/01/37/52/212013752.db2.gz NNGDIFAVYRGTFL-JOCHJYFZSA-N 1 0 381.476 2.203 40 0 GEABRO Cc1[nH]c2ccc(C(=O)N3CCC[C@](O)(C[NH+]4CCN(C)CC4)CC3)cc2c1C ZINC000257248135 212011290 /nfs/dbraw/zinc/01/12/90/212011290.db2.gz JCGHYMTUJIHOMZ-HSZRJFAPSA-N 1 0 398.551 2.389 40 0 GEABRO C[C@@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329046043 209160234 /nfs/dbraw/zinc/16/02/34/209160234.db2.gz TZHRKUKDDGCXJJ-NSHDSACASA-N 1 0 377.286 2.365 40 0 GEABRO CCS(=O)(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257242431 212008118 /nfs/dbraw/zinc/00/81/18/212008118.db2.gz ICLQLBFFZRVRQV-UFYCRDLUSA-N 1 0 380.554 2.263 40 0 GEABRO [NH3+]Cc1cnn(-c2ccccc2C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000257224359 212007704 /nfs/dbraw/zinc/00/77/04/212007704.db2.gz FBMRAJVUNDRFEZ-UHFFFAOYSA-N 1 0 379.439 2.433 40 0 GEABRO CCN1CCN(C(=O)C(C)(C)[NH3+])C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257202214 212001902 /nfs/dbraw/zinc/00/19/02/212001902.db2.gz AKXWIZRFYZNJBX-LJQANCHMSA-N 1 0 394.519 2.335 40 0 GEABRO C[NH+]1CCN(CCNc2cc(-c3ccccc3)nc(NC3CCCC3)n2)CC1 ZINC000328984477 209156129 /nfs/dbraw/zinc/15/61/29/209156129.db2.gz HMVPPTXVLLVPIZ-UHFFFAOYSA-N 1 0 380.540 2.001 40 0 GEABRO COc1ccccc1CNc1cc(-c2ccccn2)nc(NCCC[NH+](C)C)n1 ZINC000328983338 209155305 /nfs/dbraw/zinc/15/53/05/209155305.db2.gz HGZZODKNZIKXRX-UHFFFAOYSA-N 1 0 392.507 2.367 40 0 GEABRO OCCCNc1nc(NCc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000328992591 209155484 /nfs/dbraw/zinc/15/54/84/209155484.db2.gz IXKKGNLDGZECOU-UHFFFAOYSA-N 1 0 377.286 2.367 40 0 GEABRO CN1CC[C@@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccsc2)CC3)C1=O ZINC000097952856 211374609 /nfs/dbraw/zinc/37/46/09/211374609.db2.gz OKUWEWOASNCFTM-OAQYLSRUSA-N 1 0 397.548 2.489 40 0 GEABRO CNC(=O)[C@@]12CCC3(CC[NH+](Cc4ccsc4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000097952827 211373627 /nfs/dbraw/zinc/37/36/27/211373627.db2.gz MHBJSBTYFNNUCO-FXAWDEMLSA-N 1 0 375.538 2.335 40 0 GEABRO CC(=O)N1CC2(CC[NH+](Cc3ccc(C)s3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000097952882 211373043 /nfs/dbraw/zinc/37/30/43/211373043.db2.gz DYWHRKWDNQLQCH-FQEVSTJZSA-N 1 0 375.538 2.349 40 0 GEABRO CCN1CC[C@@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccco2)CC3)C1=O ZINC000097952886 211372878 /nfs/dbraw/zinc/37/28/78/211372878.db2.gz RZTFTYJYPIPRRY-JOCHJYFZSA-N 1 0 395.507 2.411 40 0 GEABRO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096260501 211327332 /nfs/dbraw/zinc/32/73/32/211327332.db2.gz PTGGPKWKISQNMR-UHFFFAOYSA-N 1 0 384.528 2.186 40 0 GEABRO COc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@H]2C[N@H+](CC(C)C)C[C@H]23)c1 ZINC000096262178 211326161 /nfs/dbraw/zinc/32/61/61/211326161.db2.gz ZCKWFIRYFPUJBX-RBUKOAKNSA-N 1 0 385.508 2.004 40 0 GEABRO Cc1nc(CN2CCOC[C@]3(CCC[N@@H+](Cc4cnn(C)c4)C3)C2)cs1 ZINC000096229286 211321664 /nfs/dbraw/zinc/32/16/64/211321664.db2.gz IOSSHMQKYFTSCC-IBGZPJMESA-N 1 0 375.542 2.300 40 0 GEABRO CCOC(=O)[C@@]12C[N@H+](CCN(C)C)C[C@@H]1CN(C(=O)c1ccsc1)CCC2 ZINC000096055944 211299051 /nfs/dbraw/zinc/29/90/51/211299051.db2.gz VRMLVPOBFLIEMF-XLIONFOSSA-N 1 0 393.553 2.027 40 0 GEABRO CCN1CC[C@]2(CN(C(C)=O)CC23CC[NH+](Cc2ccc(OC)cc2)CC3)C1=O ZINC000096036502 211295298 /nfs/dbraw/zinc/29/52/98/211295298.db2.gz BMXWCNLGUJXQEA-QHCPKHFHSA-N 1 0 399.535 2.378 40 0 GEABRO CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2ccco2)CC3)C1=O ZINC000096036565 211295060 /nfs/dbraw/zinc/29/50/60/211295060.db2.gz WYJKUFBYJWBYCB-OAQYLSRUSA-N 1 0 388.512 2.098 40 0 GEABRO CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)c4cccs4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096036293 211293914 /nfs/dbraw/zinc/29/39/14/211293914.db2.gz SWGGGKFDGCGKHE-OXJNMPFZSA-N 1 0 375.538 2.401 40 0 GEABRO Cc1cnc(CNC(=O)[C@@H]2C[C@@]3(CO2)c2ccccc2C[N@H+]3CC2CC2)cn1 ZINC000096143901 211308874 /nfs/dbraw/zinc/30/88/74/211308874.db2.gz KHHSVEHTIMWLNI-RBBKRZOGSA-N 1 0 378.476 2.311 40 0 GEABRO COc1ccc(CC[NH2+][C@H](C)[C@H](O)c2ccc(NS(C)(=O)=O)c(O)c2)cc1 ZINC000084758834 211176560 /nfs/dbraw/zinc/17/65/60/211176560.db2.gz UOEHIRNDXGQHLQ-YJYMSZOUSA-N 1 0 394.493 2.027 40 0 in-man GEABRO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373091 211102828 /nfs/dbraw/zinc/10/28/28/211102828.db2.gz GUSSHMJHNKDCSN-KURKYZTESA-N 1 0 386.540 2.264 40 0 GEABRO COc1ccc2oc(C(=O)N3CCc4nnc([C@H]5CCC[NH2+]C5)n4CC3)cc2c1 ZINC000072370889 211102234 /nfs/dbraw/zinc/10/22/34/211102234.db2.gz VSWZTRNBFDMXIX-AWEZNQCLSA-N 1 0 395.463 2.198 40 0 GEABRO C[N@@H+]1CC[C@@H](c2nn(CCNC(=O)Cc3ccc(F)cc3)c3ncccc23)C1 ZINC000072391591 211110840 /nfs/dbraw/zinc/11/08/40/211110840.db2.gz CZVUJKSIOTVNTB-MRXNPFEDSA-N 1 0 381.455 2.348 40 0 GEABRO C[N@@H+]1CC[C@H](c2nn(CCNC(=O)Cc3ccccc3F)c3ncccc23)C1 ZINC000072391588 211109910 /nfs/dbraw/zinc/10/99/10/211109910.db2.gz HINGVXVJINXGMT-INIZCTEOSA-N 1 0 381.455 2.348 40 0 GEABRO C[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)CC1 ZINC000072380642 211108642 /nfs/dbraw/zinc/10/86/42/211108642.db2.gz GNGVKMWEXQURNU-LJQANCHMSA-N 1 0 387.528 2.478 40 0 GEABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072379157 211108525 /nfs/dbraw/zinc/10/85/25/211108525.db2.gz CCUGNXOMJDULMK-GOSISDBHSA-N 1 0 397.523 2.429 40 0 GEABRO Cc1ccccc1-c1cncc(C2CC[NH+](CC(=O)N3CCOCC3)CC2)n1 ZINC000072359372 211100567 /nfs/dbraw/zinc/10/05/67/211100567.db2.gz MJOSKNAYLOLBEW-UHFFFAOYSA-N 1 0 380.492 2.490 40 0 GEABRO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)c1 ZINC000072358882 211100717 /nfs/dbraw/zinc/10/07/17/211100717.db2.gz UFRBWYPMNJJLBA-KRWDZBQOSA-N 1 0 381.480 2.370 40 0 GEABRO COc1cccc(-c2nccnc2[C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)c1 ZINC000072358534 211099494 /nfs/dbraw/zinc/09/94/94/211099494.db2.gz PFLOSKWVMSXUAK-SFHVURJKSA-N 1 0 396.491 2.190 40 0 GEABRO CN(C)c1cc(C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CC[N@H+](C)C2)ncn1 ZINC000072355072 211099554 /nfs/dbraw/zinc/09/95/54/211099554.db2.gz CHGBNDUFPFLEDY-HNNXBMFYSA-N 1 0 387.915 2.443 40 0 GEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)COc1ccccc1)CC2 ZINC000019711478 210286275 /nfs/dbraw/zinc/28/62/75/210286275.db2.gz SYIFQKHJDFPGKI-INIZCTEOSA-N 1 0 395.507 2.291 40 0 GEABRO C[NH+]1CCC(c2nnc3n2CCN(C(=O)c2nccc4ccccc42)C3)CC1 ZINC000019711235 210285492 /nfs/dbraw/zinc/28/54/92/210285492.db2.gz MADHCEWBYRXYMU-UHFFFAOYSA-N 1 0 376.464 2.292 40 0 GEABRO CNc1nc([C@@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)nc2c1C[NH2+]CC2 ZINC000019711496 210285309 /nfs/dbraw/zinc/28/53/09/210285309.db2.gz REDNBDNDNYAGGI-CQSZACIVSA-N 1 0 398.486 2.121 40 0 GEABRO Cc1ccccc1OCCC(=O)N1CCc2nnc(C3CC[NH+](C)CC3)n2CC1 ZINC000019708962 210284391 /nfs/dbraw/zinc/28/43/91/210284391.db2.gz ACTSWZIBJFRHAP-UHFFFAOYSA-N 1 0 397.523 2.250 40 0 GEABRO O=C(c1cc(-c2ccccc2F)no1)N1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1 ZINC000019706311 210284158 /nfs/dbraw/zinc/28/41/58/210284158.db2.gz FZJLMXHTKMYAGT-OAHLLOKOSA-N 1 0 396.426 2.195 40 0 GEABRO CCCc1cc(C(=O)N(C)Cc2cc(N(C)C)nc([C@H]3CCC[NH2+]C3)n2)no1 ZINC000019709661 210283609 /nfs/dbraw/zinc/28/36/09/210283609.db2.gz YZMLEMXNXJUPEV-AWEZNQCLSA-N 1 0 386.500 2.222 40 0 GEABRO COc1cc(C)ccc1C[N@H+]1CCc2nnc([C@@H]3CCCN(C(C)=O)C3)n2CC1 ZINC000019709287 210283322 /nfs/dbraw/zinc/28/33/22/210283322.db2.gz IUNYXDZIXYDGNR-LJQANCHMSA-N 1 0 397.523 2.379 40 0 GEABRO C[N@@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)Cc2c[nH]c4ccccc24)CC3)C1 ZINC000019709217 210283151 /nfs/dbraw/zinc/28/31/51/210283151.db2.gz ANVCEUCMRUIYQS-INIZCTEOSA-N 1 0 392.507 2.196 40 0 GEABRO CC(C)[N@@H+]1CCC[C@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 ZINC000019699657 210282260 /nfs/dbraw/zinc/28/22/60/210282260.db2.gz HWARLJLSBONHAH-SFHVURJKSA-N 1 0 398.507 2.086 40 0 GEABRO O=C(COCc1nc2ccccc2[nH]1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000019656382 210278074 /nfs/dbraw/zinc/27/80/74/210278074.db2.gz CSDREELURIJBPV-UHFFFAOYSA-N 1 0 386.496 2.040 40 0 GEABRO C[NH+](C)CCn1nc([C@@H]2CCN(C(=O)Cc3ccccc3F)C2)c2nccnc21 ZINC000019583090 210269737 /nfs/dbraw/zinc/26/97/37/210269737.db2.gz FOSRQBRMMKCKGE-MRXNPFEDSA-N 1 0 396.470 2.086 40 0 GEABRO Cc1cc(C)n(CCCC(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)n1 ZINC000019574088 210268262 /nfs/dbraw/zinc/26/82/62/210268262.db2.gz YBKKCUUTLFBLQM-LJQANCHMSA-N 1 0 382.512 2.422 40 0 GEABRO COc1ccccc1OCC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019590412 210273747 /nfs/dbraw/zinc/27/37/47/210273747.db2.gz IAHVAIORMZMRGS-MRXNPFEDSA-N 1 0 396.491 2.258 40 0 GEABRO C[N@@H+]1CCc2nc(C3CCN(C(=O)[C@H]4OCCc5ccccc54)CC3)ncc2C1 ZINC000019590664 210271928 /nfs/dbraw/zinc/27/19/28/210271928.db2.gz POGOHTDUBVVSEM-NRFANRHFSA-N 1 0 392.503 2.485 40 0 GEABRO Cc1ccc(C)c(N([C@H](C)C(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000010450172 533671718 /nfs/dbraw/zinc/67/17/18/533671718.db2.gz ZFKYYTMUIWDLMZ-QGZVFWFLSA-N 1 0 381.542 2.060 40 0 GEABRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)CC1 ZINC000071794187 136166620 /nfs/dbraw/zinc/16/66/20/136166620.db2.gz ATZZRIOGGPBWBZ-UHFFFAOYSA-N 1 0 388.493 2.062 40 0 GEABRO Cc1nc(N2CCOCC2)nc2c1COC[C@]21CC[N@H+](Cc2ccccc2F)C1 ZINC000096244580 136185660 /nfs/dbraw/zinc/18/56/60/136185660.db2.gz JGPXZPDZXDFANN-JOCHJYFZSA-N 1 0 398.482 2.435 40 0 GEABRO CC1CC[NH+](CCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1 ZINC000224388803 136207000 /nfs/dbraw/zinc/20/70/00/136207000.db2.gz SWRVHGZWICGIMT-UHFFFAOYSA-N 1 0 393.553 2.468 40 0 GEABRO CN1CCC([NH2+]C[C@H]2O[C@H](Cc3cc(-c4ccccc4)on3)CC[C@@H]2O)CC1 ZINC000077262884 560046534 /nfs/dbraw/zinc/04/65/34/560046534.db2.gz LVPLJXOBCVXANF-JAXLGGSGSA-N 1 0 385.508 2.476 40 0 biogenic,in-vitro GEABRO C[NH+](C)CCCNc1nc(NCc2ccc(F)cc2)cc(-c2cccnc2)n1 ZINC000329062252 570215571 /nfs/dbraw/zinc/21/55/71/570215571.db2.gz WWBRJHDGMKOHFI-UHFFFAOYSA-N 1 0 380.471 2.497 40 0 GEABRO Cc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc1 ZINC000585283071 570251420 /nfs/dbraw/zinc/25/14/20/570251420.db2.gz BHAMGGBGRXJRCW-FPOVZHCZSA-N 1 0 388.895 2.376 40 0 GEABRO CC(C)[N@H+](Cc1ccccc1)C[C@]1(O)CN(C(=O)CCc2ccccc2)C[C@H]1O ZINC000585290466 570258705 /nfs/dbraw/zinc/25/87/05/570258705.db2.gz BPGHTFXALDPCPR-VWNXMTODSA-N 1 0 396.531 2.464 40 0 GEABRO Cc1ccc(C)c([C@H](O)C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000022887352 570332847 /nfs/dbraw/zinc/33/28/47/570332847.db2.gz IHUHYCMGLAPHQL-OAQYLSRUSA-N 1 0 392.503 2.391 40 0 GEABRO Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC1CC[NH+](C)CC1 ZINC000113943675 570335392 /nfs/dbraw/zinc/33/53/92/570335392.db2.gz QUDBERKFGXLCHM-UHFFFAOYSA-N 1 0 393.553 2.384 40 0 GEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCCC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382213 570353255 /nfs/dbraw/zinc/35/32/55/570353255.db2.gz KZFZUSFAISIIQL-GXRSIYKFSA-N 1 0 397.519 2.488 40 0 biogenic,in-vitro GEABRO CC(C)(C)c1nccc(C[C@H]2[C@H]([NH2+]C3Cc4ccccc4C3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382292 570353310 /nfs/dbraw/zinc/35/33/10/570353310.db2.gz NLKWBQVYMKTMOF-GXRSIYKFSA-N 1 0 395.547 2.432 40 0 biogenic,in-vitro GEABRO NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)C1 ZINC000036734549 570568558 /nfs/dbraw/zinc/56/85/58/570568558.db2.gz FKYMISMZOVKLHL-DLBZAZTESA-N 1 0 391.487 2.031 40 0 GEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000225422716 570572422 /nfs/dbraw/zinc/57/24/22/570572422.db2.gz ISOQQLFEIZJEHY-QGZVFWFLSA-N 1 0 381.542 2.321 40 0 GEABRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccn2)n[nH]1)c1ccc2c(c1)OCO2 ZINC000012147399 570617306 /nfs/dbraw/zinc/61/73/06/570617306.db2.gz PXGQWCJJDJFQAJ-QGZVFWFLSA-N 1 0 379.420 2.233 40 0 GEABRO Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]C[C@@H]3COC(C)(C)O3)cc12 ZINC000012186879 570621402 /nfs/dbraw/zinc/62/14/02/570621402.db2.gz DQFGRWBXAAOBDK-MRXNPFEDSA-N 1 0 386.427 2.402 40 0 GEABRO COc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccc3c(c2)OCCO3)CC1 ZINC000012292095 570633277 /nfs/dbraw/zinc/63/32/77/570633277.db2.gz XDDCGVSBOGMCES-SFHVURJKSA-N 1 0 385.460 2.483 40 0 GEABRO O=C(C[NH+]1CCCCCC1)NCCN1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012326169 570643321 /nfs/dbraw/zinc/64/33/21/570643321.db2.gz BZWJPIMBHQEQLT-UHFFFAOYSA-N 1 0 377.504 2.101 40 0 GEABRO CN1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000005014935 570730669 /nfs/dbraw/zinc/73/06/69/570730669.db2.gz SALCJOWZPYGEDW-UHFFFAOYSA-N 1 0 378.520 2.396 40 0 GEABRO CCc1ccccc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000010111162 570782004 /nfs/dbraw/zinc/78/20/04/570782004.db2.gz FEMGGTOITRQEKO-UHFFFAOYSA-N 1 0 395.569 2.397 40 0 GEABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218205679 570816505 /nfs/dbraw/zinc/81/65/05/570816505.db2.gz ARWMFBNFXPVULY-KKUMJFAQSA-N 1 0 376.316 2.331 40 0 GEABRO N[C@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218216433 570817027 /nfs/dbraw/zinc/81/70/27/570817027.db2.gz MLALTAJACZOZPE-OWCLPIDISA-N 1 0 381.295 2.045 40 0 GEABRO C[C@@H]1CCC[N@H+](CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000257313472 570907360 /nfs/dbraw/zinc/90/73/60/570907360.db2.gz USPWHYGACXACMI-SQNIBIBYSA-N 1 0 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Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccccc2)cc1 ZINC000013668874 210076548 /nfs/dbraw/zinc/07/65/48/210076548.db2.gz QZRHBPQHTIXRGQ-UHFFFAOYSA-N 1 0 389.521 2.258 40 0 GEABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)c(C)c1 ZINC000013668495 210076069 /nfs/dbraw/zinc/07/60/69/210076069.db2.gz SLDSOOGFVMTDHP-UHFFFAOYSA-N 1 0 395.569 2.452 40 0 GEABRO C[NH+]1CCN(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000022830010 531591332 /nfs/dbraw/zinc/59/13/32/531591332.db2.gz FLRYJDBZAOGXLZ-UHFFFAOYSA-N 1 0 380.341 2.050 40 0 GEABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@]2(N)C[NH3+])cc1 ZINC000242547656 532518227 /nfs/dbraw/zinc/51/82/27/532518227.db2.gz KQFNUBBSMLSZKG-BRWVUGGUSA-N 1 0 395.322 2.353 40 0 GEABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)c3ccccc3F)CCN21 ZINC000253398345 209218066 /nfs/dbraw/zinc/21/80/66/209218066.db2.gz HAECDLCMLRCQES-XXBNENTESA-N 1 0 397.494 2.219 40 0 biogenic,in-vitro GEABRO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccncc3)CC1)COC2 ZINC000306142252 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COc1ccc(Nc2cc(-c3cccnc3)nc(NCC[NH+](C)C)n2)cc1OC ZINC000328971648 209154493 /nfs/dbraw/zinc/15/44/93/209154493.db2.gz DRDKDOZMOWBIBV-UHFFFAOYSA-N 1 0 394.479 2.117 40 0 GEABRO CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000097952790 211374572 /nfs/dbraw/zinc/37/45/72/211374572.db2.gz SEDZAVUOPJRRKO-QFIPXVFZSA-N 1 0 387.524 2.234 40 0 GEABRO Cc1ccc(S(=O)(=O)CC(=O)N2CCC3(CC2)C[NH2+]Cc2ccccc23)cc1 ZINC000096156918 211314853 /nfs/dbraw/zinc/31/48/53/211314853.db2.gz FABMKDFSWLSTQI-UHFFFAOYSA-N 1 0 398.528 2.432 40 0 GEABRO CNC(=O)c1cc2c(nc1NCC1CC1)CC[N@H+](Cc1c(C)noc1C)CC2 ZINC000096100428 211302516 /nfs/dbraw/zinc/30/25/16/211302516.db2.gz ABVBAQHHANYIKW-UHFFFAOYSA-N 1 0 383.496 2.469 40 0 GEABRO CCOC(=O)[C@@]12C[N@H+](CCN(C)C)C[C@@H]1CN(C(=O)c1cccs1)CCC2 ZINC000096055947 211297634 /nfs/dbraw/zinc/29/76/34/211297634.db2.gz HECPHSSUIJDBRW-UZLBHIALSA-N 1 0 393.553 2.027 40 0 GEABRO CCN1CC[C@]2(CN(C(C)=O)CC23CC[NH+](Cc2ccsc2)CC3)C1=O ZINC000096036492 211294372 /nfs/dbraw/zinc/29/43/72/211294372.db2.gz JNEZEASRVOUITC-FQEVSTJZSA-N 1 0 375.538 2.431 40 0 GEABRO CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCC[NH+](C)C)c1 ZINC000078535582 211147805 /nfs/dbraw/zinc/14/78/05/211147805.db2.gz ZTEZWLMBVRGIGL-UHFFFAOYSA-N 1 0 375.494 2.193 40 0 GEABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CN(C(=O)Cc1cccc(OC)c1)CC2 ZINC000072372165 211103456 /nfs/dbraw/zinc/10/34/56/211103456.db2.gz BUUNGEMIYDAYAA-UHFFFAOYSA-N 1 0 395.507 2.121 40 0 GEABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@H]4OCCc5ccccc54)C3)ncc2C1 ZINC000072397268 211112504 /nfs/dbraw/zinc/11/25/04/211112504.db2.gz GKXDXDSFGIPMPW-UTKZUKDTSA-N 1 0 392.503 2.485 40 0 GEABRO C[N@@H+]1CC[C@@H](c2nn(CCNC(=O)Cc3ccccc3F)c3ncccc23)C1 ZINC000072391589 211109616 /nfs/dbraw/zinc/10/96/16/211109616.db2.gz HINGVXVJINXGMT-MRXNPFEDSA-N 1 0 381.455 2.348 40 0 GEABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cc1 ZINC000072380590 211108652 /nfs/dbraw/zinc/10/86/52/211108652.db2.gz DDJJTXZBGIHLIB-KRWDZBQOSA-N 1 0 384.480 2.270 40 0 GEABRO CC(=O)NCC(=O)N1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000072374957 211104878 /nfs/dbraw/zinc/10/48/78/211104878.db2.gz HWHKYHHBVFYPCC-QGZVFWFLSA-N 1 0 396.495 2.383 40 0 GEABRO O=C(C[NH+]1CCC(c2cncc(-c3cccc(F)c3)n2)CC1)N1CCOCC1 ZINC000072359373 211101146 /nfs/dbraw/zinc/10/11/46/211101146.db2.gz BLAALLTYUPCHNT-UHFFFAOYSA-N 1 0 384.455 2.321 40 0 GEABRO CN(C)c1cc(C[C@@H]2CN(C(=O)CCc3ccccc3)CC[N@H+](C)C2)ncn1 ZINC000072355104 211099089 /nfs/dbraw/zinc/09/90/89/211099089.db2.gz CWMHPAWCEPUJPG-IBGZPJMESA-N 1 0 381.524 2.108 40 0 GEABRO COc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)c1 ZINC000072358533 211098760 /nfs/dbraw/zinc/09/87/60/211098760.db2.gz PFLOSKWVMSXUAK-GOSISDBHSA-N 1 0 396.491 2.190 40 0 GEABRO CCc1ccc(NC(=O)C[C@@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)cc1 ZINC000020635219 210353679 /nfs/dbraw/zinc/35/36/79/210353679.db2.gz UJBUQXAHJYKYEX-INIZCTEOSA-N 1 0 378.436 2.068 40 0 GEABRO Cc1ccc(NC(=O)C[C@@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)cc1C ZINC000020635259 210353595 /nfs/dbraw/zinc/35/35/95/210353595.db2.gz RWMSNRJDPDTZLZ-INIZCTEOSA-N 1 0 378.436 2.123 40 0 GEABRO Cc1ccc(Cl)cc1NC(=O)C[C@H]1N=C(NC(=[NH2+])Nc2ccccc2)NC1=O ZINC000020635266 210354194 /nfs/dbraw/zinc/35/41/94/210354194.db2.gz ORWOBJLXQBHETM-OAHLLOKOSA-N 1 0 398.854 2.468 40 0 GEABRO Cc1ccc(Cl)cc1NC(=O)C[C@@H]1N=C(NC(=[NH2+])Nc2ccccc2)NC1=O ZINC000020635264 210354353 /nfs/dbraw/zinc/35/43/53/210354353.db2.gz ORWOBJLXQBHETM-HNNXBMFYSA-N 1 0 398.854 2.468 40 0 GEABRO C[C@@H]1Cc2cc(C(=O)N3CCn4c(nnc4C4CC[NH+](C)CC4)C3)ccc2O1 ZINC000019711272 210285702 /nfs/dbraw/zinc/28/57/02/210285702.db2.gz BVUCCBFIZINPKY-CQSZACIVSA-N 1 0 381.480 2.067 40 0 GEABRO Cc1cccc(CS(=O)(=O)N(C)Cc2cc(C3CC[NH2+]CC3)nn2C)c1 ZINC000019710198 210285640 /nfs/dbraw/zinc/28/56/40/210285640.db2.gz RWIYQFWFBHEUAV-UHFFFAOYSA-N 1 0 376.526 2.157 40 0 GEABRO CCOc1cc2c(cc1C[NH+]1CCC(c3nnc4n3CCNC4)CC1)O[C@@H](C)C2 ZINC000019711176 210285334 /nfs/dbraw/zinc/28/53/34/210285334.db2.gz HSTORMGRJYSRDS-HNNXBMFYSA-N 1 0 397.523 2.483 40 0 GEABRO Cc1nc(C)c(C(=O)N2CCC([C@@H]3CCCC[N@H+]3CC(=O)N(C)C)CC2)o1 ZINC000019746364 210292022 /nfs/dbraw/zinc/29/20/22/210292022.db2.gz XWFHXZHDQOYGMP-KRWDZBQOSA-N 1 0 376.501 2.086 40 0 GEABRO CS(=O)(=O)N1CCC(CC(=O)Nc2ccccc2C[NH+]2CCCC2)CC1 ZINC000019748209 210291360 /nfs/dbraw/zinc/29/13/60/210291360.db2.gz RNPWGARFLZFUDJ-UHFFFAOYSA-N 1 0 379.526 2.283 40 0 GEABRO CC(C)C[NH+]1CCC(c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000019744803 210291463 /nfs/dbraw/zinc/29/14/63/210291463.db2.gz VGZZYWHPFOHJNG-UHFFFAOYSA-N 1 0 398.429 2.486 40 0 GEABRO Cc1c(-c2cncn2CC[NH2+][C@@H]2CCS(=O)(=O)C2)c(-c2ccccc2)nn1C ZINC000019719404 210289419 /nfs/dbraw/zinc/28/94/19/210289419.db2.gz JDRWXQBPNDFHPQ-QGZVFWFLSA-N 1 0 399.520 2.036 40 0 GEABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4ccc(F)cc4[nH]2)CC3)C1 ZINC000019709244 210284712 /nfs/dbraw/zinc/28/47/12/210284712.db2.gz DJAPZUFKKZVBPL-OAHLLOKOSA-N 1 0 396.470 2.406 40 0 GEABRO COc1ccc(CCC(=O)N2CCc3nnc([C@H]4CCC[N@H+](C)C4)n3CC2)cc1 ZINC000019709475 210284022 /nfs/dbraw/zinc/28/40/22/210284022.db2.gz KBYBZNOAIPYALF-SFHVURJKSA-N 1 0 397.523 2.113 40 0 GEABRO COc1cc(C)ccc1C[N@H+]1CCc2nnc([C@H]3CCCN(C(C)=O)C3)n2CC1 ZINC000019709288 210283290 /nfs/dbraw/zinc/28/32/90/210283290.db2.gz IUNYXDZIXYDGNR-IBGZPJMESA-N 1 0 397.523 2.379 40 0 GEABRO CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)c3ccccn3)CC2)cc(C)[nH+]1 ZINC000019698287 210282471 /nfs/dbraw/zinc/28/24/71/210282471.db2.gz GFCZEDLUFXDFNL-OAQYLSRUSA-N 1 0 393.491 2.431 40 0 GEABRO COC(C)(C)C(=O)N1CCN(c2cc(C)[nH+]c([C@@H]3CCCN3C(C)=O)c2)CC1 ZINC000019697951 210281452 /nfs/dbraw/zinc/28/14/52/210281452.db2.gz FCKGRIBAJPSSGE-IBGZPJMESA-N 1 0 388.512 2.147 40 0 GEABRO Cc1nccn1C[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000019656780 210277695 /nfs/dbraw/zinc/27/76/95/210277695.db2.gz KJGPRSQWVDMBFM-IBGZPJMESA-N 1 0 399.514 2.391 40 0 GEABRO Cc1oc2c(c1C(=O)NCCn1nc([C@@H]3CC[NH2+]C3)c3nccnc31)CCCC2 ZINC000019581362 210270009 /nfs/dbraw/zinc/27/00/09/210270009.db2.gz GVDYIMURPCOJEK-CQSZACIVSA-N 1 0 394.479 2.113 40 0 GEABRO Cc1cc(C)n(CCCC(=O)N2CCc3nc([C@H]4CCC[N@@H+](C)C4)ncc3C2)n1 ZINC000019574125 210268468 /nfs/dbraw/zinc/26/84/68/210268468.db2.gz NKRDJEOXLXNEFB-SFHVURJKSA-N 1 0 396.539 2.464 40 0 GEABRO COc1cccc(OC)c1C(=O)N1CC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019590629 210273229 /nfs/dbraw/zinc/27/32/29/210273229.db2.gz HLBPEZIIASIPBT-AWEZNQCLSA-N 1 0 382.464 2.111 40 0 GEABRO C[N@@H+]1CCc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)ncc2C1 ZINC000019590586 210272357 /nfs/dbraw/zinc/27/23/57/210272357.db2.gz CBYOVILPSPURQQ-KRWDZBQOSA-N 1 0 376.457 2.129 40 0 GEABRO COc1ccc(CC(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1OC ZINC000019590522 210272239 /nfs/dbraw/zinc/27/22/39/210272239.db2.gz RGSUXCQZJDERRO-SFHVURJKSA-N 1 0 396.491 2.388 40 0 GEABRO C[NH+]1CCN([C@@H](CNC(=O)[C@@H]2OCOc3ccccc32)c2ccccc2)CC1 ZINC000019589803 210271989 /nfs/dbraw/zinc/27/19/89/210271989.db2.gz TVLVLIMVLCQIMX-PZJWPPBQSA-N 1 0 381.476 2.199 40 0 GEABRO C[NH+]1CCC(c2ncc3c(n2)CCN(C(=O)[C@H]2OCCc4ccccc42)C3)CC1 ZINC000019588250 210272070 /nfs/dbraw/zinc/27/20/70/210272070.db2.gz KGZDTFCJBDDGPH-NRFANRHFSA-N 1 0 392.503 2.485 40 0 GEABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)c4n[nH]c5c4CCCC5)C3)ncc2C1 ZINC000019590427 210271784 /nfs/dbraw/zinc/27/17/84/210271784.db2.gz BRPIQLLZJZPJFJ-AWEZNQCLSA-N 1 0 380.496 2.086 40 0 GEABRO COc1ccc(OC)c(C(=O)N2CCc3nc([C@H]4CC[N@H+](C)C4)ncc3C2)c1 ZINC000019588001 210271702 /nfs/dbraw/zinc/27/17/02/210271702.db2.gz ZTPDJGACWBYQMX-AWEZNQCLSA-N 1 0 382.464 2.111 40 0 GEABRO O=C1CCc2cc(S(=O)(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2N1 ZINC000012362258 221184464 /nfs/dbraw/zinc/18/44/64/221184464.db2.gz MGDVKJBJWWPALH-KRWDZBQOSA-N 1 0 399.516 2.372 40 0 GEABRO CN1CCCc2cc(C(=O)N3CCC(c4nnc5n4CC[N@@H+](C)C5)CC3)ccc21 ZINC000072372067 136168987 /nfs/dbraw/zinc/16/89/87/136168987.db2.gz SCFHRAVVUIHVPY-UHFFFAOYSA-N 1 0 394.523 2.126 40 0 GEABRO CN1CCCc2cc(C(=O)N3CCCC[C@@H]3c3nnc4n3CC[N@@H+](C)C4)ccc21 ZINC000072373987 136169162 /nfs/dbraw/zinc/16/91/62/136169162.db2.gz KNZBTZMGYYCEAJ-LJQANCHMSA-N 1 0 394.523 2.473 40 0 GEABRO Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1N1CCCCS1(=O)=O ZINC000224402848 136207062 /nfs/dbraw/zinc/20/70/62/136207062.db2.gz NDZDPHSDBXUBHL-UHFFFAOYSA-N 1 0 393.553 2.387 40 0 GEABRO O[C@@H]1C[C@H]2C[N@H+](CCc3ccccc3)CC3(CN(Cc4ccccc4)C3)N2C1 ZINC000514290286 560030018 /nfs/dbraw/zinc/03/00/18/560030018.db2.gz WGXWOZQNPCINKO-XZOQPEGZSA-N 1 0 377.532 2.235 40 0 biogenic,in-vitro GEABRO COc1cccc(NC(=O)N[C@H]2CO[C@@H](C[N@H+](C)CCc3ccccc3)[C@@H]2O)c1 ZINC000514288945 560033532 /nfs/dbraw/zinc/03/35/32/560033532.db2.gz KTIHRYSGPJHSJL-PCCBWWKXSA-N 1 0 399.491 2.120 40 0 biogenic,in-vitro GEABRO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3F)nc2c1 ZINC000096112379 560060613 /nfs/dbraw/zinc/06/06/13/560060613.db2.gz RLGFPTXYVLLMPB-PBHICJAKSA-N 1 0 377.416 2.067 40 0 biogenic,in-vitro GEABRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2COCc3nc4cc(F)ccc4n32)cc1 ZINC000096112730 560060635 /nfs/dbraw/zinc/06/06/35/560060635.db2.gz YZCOMYNSISYWLW-HNNXBMFYSA-N 1 0 389.452 2.440 40 0 biogenic,in-vitro GEABRO COCCOc1ccnc(-c2noc([C@@H]3CCCN3C3CC[NH+](C)CC3)n2)c1 ZINC000035425086 560080977 /nfs/dbraw/zinc/08/09/77/560080977.db2.gz CDKYRFZKAUKNLH-SFHVURJKSA-N 1 0 387.484 2.388 40 0 biogenic,in-vitro GEABRO CO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1C)[C@@H]2O5 ZINC000034275567 560087393 /nfs/dbraw/zinc/08/73/93/560087393.db2.gz ZGKVSNGVCSJFTE-HAYRDFTKSA-N 1 0 383.488 2.383 40 0 biogenic,in-vitro GEABRO COc1ccc(Nc2cc(-c3ccccn3)nc(NCC[NH+](C)C)n2)cc1F ZINC000329000107 570211433 /nfs/dbraw/zinc/21/14/33/570211433.db2.gz JZJUVDDHHSBOLM-UHFFFAOYSA-N 1 0 382.443 2.247 40 0 GEABRO COc1ccccc1CNc1cc(-c2cccnc2)nc(NCCC[NH+](C)C)n1 ZINC000329053441 570215555 /nfs/dbraw/zinc/21/55/55/570215555.db2.gz VGWLXSVEMAOBLK-UHFFFAOYSA-N 1 0 392.507 2.367 40 0 GEABRO Cc1cc(OC[C@@]2(O)C[N@H+](CC3(O)CCCCCC3)CC[C@@H]2O)ccc1F ZINC000585283192 570251471 /nfs/dbraw/zinc/25/14/71/570251471.db2.gz QVCLFJYUZBOARI-FPOVZHCZSA-N 1 0 381.488 2.396 40 0 GEABRO O=C1CCCC[C@@H]2[C@H](CC[N@H+]2CC2(O)CCN(c3ccc(F)cc3)CC2)N1 ZINC000585284630 570253895 /nfs/dbraw/zinc/25/38/95/570253895.db2.gz UCWHAUDBYPFDBW-RBUKOAKNSA-N 1 0 375.488 2.290 40 0 GEABRO COc1ccccc1C[NH+]1CCC2(CC1)C[C@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108531847 570312995 /nfs/dbraw/zinc/31/29/95/570312995.db2.gz GTKRCJYIQQQWJJ-QGZVFWFLSA-N 1 0 394.537 2.291 40 0 GEABRO CCOc1cc(CNCC[NH2+]C[C@H](C)O)cc(Br)c1OCC ZINC000022076029 570321747 /nfs/dbraw/zinc/32/17/47/570321747.db2.gz YBYKFFGRSHPXDE-LBPRGKRZSA-N 1 0 375.307 2.307 40 0 GEABRO C[NH+](C)CCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000006396044 570478927 /nfs/dbraw/zinc/47/89/27/570478927.db2.gz HAJGBXLCUWRKGR-UHFFFAOYSA-N 1 0 396.520 2.489 40 0 GEABRO Cn1c2ccc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3ccccn3)cc2n(C)c1=O ZINC000012135175 570613990 /nfs/dbraw/zinc/61/39/90/570613990.db2.gz UOTBQRLWKTXTSN-NHJWOMDBSA-N 1 0 392.503 2.392 40 0 GEABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3[C@@H](O)[C@@]21C ZINC000004063782 570614702 /nfs/dbraw/zinc/61/47/02/570614702.db2.gz NIQPEHCERNDLQS-RUNBYEGESA-N 1 0 391.508 2.110 40 0 GEABRO CC(=O)Nc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012219542 570627214 /nfs/dbraw/zinc/62/72/14/570627214.db2.gz QYNOAWFXXJUCTN-LJQANCHMSA-N 1 0 398.459 2.391 40 0 GEABRO C[NH+](C)CCOc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)cn1 ZINC000225917454 570633383 /nfs/dbraw/zinc/63/33/83/570633383.db2.gz ATQIUFRHYFVMJC-UHFFFAOYSA-N 1 0 375.425 2.305 40 0 GEABRO CS(=O)(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000012291429 570633402 /nfs/dbraw/zinc/63/34/02/570633402.db2.gz FFFRQUHWZMBPAG-OAQYLSRUSA-N 1 0 386.517 2.491 40 0 GEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000260793407 570706502 /nfs/dbraw/zinc/70/65/02/570706502.db2.gz PDHQUJLPYLEFRS-MOPGFXCFSA-N 1 0 395.569 2.390 40 0 GEABRO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000010540634 570791582 /nfs/dbraw/zinc/79/15/82/570791582.db2.gz JIFWTISKGHPRPX-KRWDZBQOSA-N 1 0 381.542 2.079 40 0 GEABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccs2)CC1 ZINC000585106016 570935791 /nfs/dbraw/zinc/93/57/91/570935791.db2.gz DYHWMTSPMUJZQT-XHSDSOJGSA-N 1 0 375.538 2.447 40 0 GEABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000585106320 570936328 /nfs/dbraw/zinc/93/63/28/570936328.db2.gz TUNXDKJMAGITCP-UXHICEINSA-N 1 0 398.551 2.205 40 0 GEABRO Cc1ccc(CC(=O)N2CCc3nc4n(c(=O)c3C2)[C@@H](C[NH+](C)C)CCC4)cc1 ZINC000585110177 570939098 /nfs/dbraw/zinc/93/90/98/570939098.db2.gz SOABCSGVUFMZCL-GOSISDBHSA-N 1 0 394.519 2.118 40 0 GEABRO COc1ccc(OC)c(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[NH2+]C4)C2)c1 ZINC000019551046 210260580 /nfs/dbraw/zinc/26/05/80/210260580.db2.gz MKGUKZJLQAWEAQ-AWEZNQCLSA-N 1 0 382.464 2.159 40 0 GEABRO CCN1CC[NH+](C2CCN(C(=O)c3ccc(C)c(-n4cccn4)c3)CC2)CC1 ZINC000019528137 210258443 /nfs/dbraw/zinc/25/84/43/210258443.db2.gz MFFPANXPCGGGLJ-UHFFFAOYSA-N 1 0 381.524 2.423 40 0 GEABRO CCn1nc(C)c(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)c1C ZINC000019523839 210256961 /nfs/dbraw/zinc/25/69/61/210256961.db2.gz BWZAUEAKFKBNDH-UHFFFAOYSA-N 1 0 378.480 2.266 40 0 GEABRO C[C@@H]1Cc2cc(C(=O)N3CC[C@@H](c4nn(CC[NH3+])c5ncccc45)C3)ccc2O1 ZINC000019497895 210251888 /nfs/dbraw/zinc/25/18/88/210251888.db2.gz VLDJHABXLAWJCN-GDBMZVCRSA-N 1 0 391.475 2.343 40 0 GEABRO CC(C)c1nccn1CCC(=O)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000019454453 210250143 /nfs/dbraw/zinc/25/01/43/210250143.db2.gz MMSHKEQWHWOADX-UHFFFAOYSA-N 1 0 382.512 2.239 40 0 GEABRO O=C(CCn1ncc2ccccc21)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019376595 210246680 /nfs/dbraw/zinc/24/66/80/210246680.db2.gz PSZHKYOCVXPFHW-KRWDZBQOSA-N 1 0 390.491 2.268 40 0 GEABRO O=C(CCn1cnc2ccccc21)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019376693 210246141 /nfs/dbraw/zinc/24/61/41/210246141.db2.gz YRDOBOMYNJZHNX-LJQANCHMSA-N 1 0 376.464 2.226 40 0 GEABRO O=C(C[N@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1)N1CCCC1 ZINC000019336334 210241858 /nfs/dbraw/zinc/24/18/58/210241858.db2.gz BPHPSUYWHCIZCI-NJDAHSKKSA-N 1 0 399.510 2.474 40 0 GEABRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cc1F ZINC000019214525 210230377 /nfs/dbraw/zinc/23/03/77/210230377.db2.gz DIXSKWNDHSMDJF-GOSISDBHSA-N 1 0 390.484 2.486 40 0 GEABRO Cc1ccc([C@H](C)C(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3nccnc32)cc1 ZINC000019136341 210229661 /nfs/dbraw/zinc/22/96/61/210229661.db2.gz KKYGBOBXCODUDY-DOTOQJQBSA-N 1 0 378.480 2.132 40 0 GEABRO C[C@H](Oc1cccc(F)c1)C(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019080361 210224350 /nfs/dbraw/zinc/22/43/50/210224350.db2.gz HDJPRVXOKPINDU-LSDHHAIUSA-N 1 0 397.454 2.231 40 0 GEABRO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019079363 210223092 /nfs/dbraw/zinc/22/30/92/210223092.db2.gz VFXVKFMVTUVMJQ-CABCVRRESA-N 1 0 384.455 2.435 40 0 GEABRO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019079356 210222898 /nfs/dbraw/zinc/22/28/98/210222898.db2.gz VFXVKFMVTUVMJQ-HUUCEWRRSA-N 1 0 384.455 2.435 40 0 GEABRO C[NH+]1CCN(c2cc3[nH]c(=O)[nH]c3cc2NC(=O)C(Cl)(Cl)Cl)CC1 ZINC000408529172 529777018 /nfs/dbraw/zinc/77/70/18/529777018.db2.gz IMTDBFCBYRWMCS-UHFFFAOYSA-N 1 0 392.674 2.329 40 0 GEABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)c(C)c1 ZINC000013672315 210078138 /nfs/dbraw/zinc/07/81/38/210078138.db2.gz AALVCGQVLGCKCC-UHFFFAOYSA-N 1 0 395.569 2.308 40 0 GEABRO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000013670765 210077403 /nfs/dbraw/zinc/07/74/03/210077403.db2.gz GMBYYGWITLGLMF-UHFFFAOYSA-N 1 0 399.532 2.364 40 0 GEABRO Cc1cccc(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccccc2)c1C ZINC000013632276 210074443 /nfs/dbraw/zinc/07/44/43/210074443.db2.gz DSSQMHRLRKNLEW-UHFFFAOYSA-N 1 0 389.521 2.177 40 0 GEABRO CCOc1cc(C[NH2+]Cc2ccncc2)cc(Br)c1OCC(N)=O ZINC000006870218 531533300 /nfs/dbraw/zinc/53/33/00/531533300.db2.gz TWJJRANNPCYFKY-UHFFFAOYSA-N 1 0 394.269 2.397 40 0 GEABRO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(Cc1ccc3c(c1)OCO3)C2 ZINC000096111943 291115587 /nfs/dbraw/zinc/11/55/87/291115587.db2.gz UVIZKBFFUXCCBT-WMZOPIPTSA-N 1 0 396.443 2.430 40 0 biogenic,in-vitro GEABRO O=C(NC1CCCCC1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253999 291117245 /nfs/dbraw/zinc/11/72/45/291117245.db2.gz RRVYYAJEGIFKDM-UHOSZYNNSA-N 1 0 394.523 2.499 40 0 biogenic,in-vitro GEABRO [NH3+][C@@]1(CO)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000242539073 532519322 /nfs/dbraw/zinc/51/93/22/532519322.db2.gz JNNYBHRAKXTHCD-BZUAXINKSA-N 1 0 382.279 2.079 40 0 GEABRO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2C[N@@H+](C3CCOCC3)CCN21 ZINC000253407465 209218891 /nfs/dbraw/zinc/21/88/91/209218891.db2.gz WLOSUGRJVLTJAG-KRWDZBQOSA-N 1 0 375.488 2.225 40 0 biogenic,in-vitro GEABRO 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ZINC000306137854 212052472 /nfs/dbraw/zinc/05/24/72/212052472.db2.gz RIHATXZVVNRGIZ-SQNIBIBYSA-N 1 0 382.501 2.089 40 0 GEABRO Cc1cc(C)cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@H]3C2)c1 ZINC000306135828 212051601 /nfs/dbraw/zinc/05/16/01/212051601.db2.gz PCCAQFCPSFSVHH-ZWKOTPCHSA-N 1 0 379.508 2.482 40 0 GEABRO CCNC(=O)NC[C@H]1CC[C@]2(COCC[N@H+](Cc3ccc(CC)cc3)C2)O1 ZINC000306131481 212049917 /nfs/dbraw/zinc/04/99/17/212049917.db2.gz KGARCYROPSFGDG-CTNGQTDRSA-N 1 0 375.513 2.318 40 0 GEABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3nccs3)C[C@H]1C2 ZINC000306131297 212049617 /nfs/dbraw/zinc/04/96/17/212049617.db2.gz KAOKTEXIHBRCIE-ZIAGYGMSSA-N 1 0 380.477 2.291 40 0 GEABRO Cn1cncc1CNc1ncc2c(n1)[C@]1(CC[N@H+](Cc3ccccc3)C1)COC2 ZINC000306127603 212047783 /nfs/dbraw/zinc/04/77/83/212047783.db2.gz GDGXREAHUOLWPQ-QFIPXVFZSA-N 1 0 390.491 2.496 40 0 GEABRO O=C1N(CC2CC2)CCO[C@@]12C[N@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306128787 212046411 /nfs/dbraw/zinc/04/64/11/212046411.db2.gz 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CNc1cc(Nc2cc(CCC3CCN(C(=O)C[NH+](C)C)CC3)ccn2)ncn1 ZINC000257278729 212015406 /nfs/dbraw/zinc/01/54/06/212015406.db2.gz ODKMGTHQXYIQGL-UHFFFAOYSA-N 1 0 397.527 2.390 40 0 GEABRO C[NH+](C)CCCNc1nc(NCCc2ccncc2)cc(-c2ccccc2)n1 ZINC000329047057 209158754 /nfs/dbraw/zinc/15/87/54/209158754.db2.gz UEHCHMKJPMQASY-UHFFFAOYSA-N 1 0 376.508 2.401 40 0 GEABRO C[NH+](C)CCCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2cccnc2)n1 ZINC000329028665 209158140 /nfs/dbraw/zinc/15/81/40/209158140.db2.gz PWMCTAFRCVMEEC-UHFFFAOYSA-N 1 0 392.463 2.218 40 0 GEABRO COc1ccccc1[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000257246296 212011442 /nfs/dbraw/zinc/01/14/42/212011442.db2.gz ITMKQFKLCVCYTC-LJQANCHMSA-N 1 0 379.464 2.465 40 0 GEABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2ncccc2O)CC1 ZINC000257245107 212010021 /nfs/dbraw/zinc/01/00/21/212010021.db2.gz IOBYRHAIHSDFLH-OAQYLSRUSA-N 1 0 387.455 2.416 40 0 GEABRO C[C@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(C2CC2)[nH+]1 ZINC000329063790 209159951 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384.434 2.246 40 0 GEABRO COc1ccc(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)cc1OC ZINC000328972185 209153489 /nfs/dbraw/zinc/15/34/89/209153489.db2.gz DVBKBEBZVPKGTE-UHFFFAOYSA-N 1 0 399.417 2.464 40 0 GEABRO CC(C)[N@@H+]1CC[C@H](c2nnc3ccc(C(=O)NCCc4cccnc4)cn32)C1 ZINC000096267448 211328684 /nfs/dbraw/zinc/32/86/84/211328684.db2.gz ZUSFHRASGXNEAG-KRWDZBQOSA-N 1 0 378.480 2.295 40 0 GEABRO O=C(NCC1CC1)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000096243592 211324448 /nfs/dbraw/zinc/32/44/48/211324448.db2.gz LRUOTCUPUQZUCU-IBGZPJMESA-N 1 0 398.482 2.439 40 0 GEABRO O=C(NCC1CC1)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3cccs3)CC2)O1 ZINC000096243588 211324504 /nfs/dbraw/zinc/32/45/04/211324504.db2.gz HNTHKYPCCOTHJV-KRWDZBQOSA-N 1 0 386.521 2.361 40 0 GEABRO CN1CC[NH+](C[C@@H]2CO[C@@]3(C2)CCCN(C(=O)c2c[nH]c4ccccc42)C3)CC1 ZINC000096075610 211299312 /nfs/dbraw/zinc/29/93/12/211299312.db2.gz NUORUXQKXIGIMW-WZONZLPQSA-N 1 0 396.535 2.427 40 0 GEABRO CCN1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](CC1CCOCC1)CC2 ZINC000096037025 211297378 /nfs/dbraw/zinc/29/73/78/211297378.db2.gz JIQWJTJGSYSKLM-UHFFFAOYSA-N 1 0 398.555 2.337 40 0 GEABRO O=C([C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccsc3)CC2)O1)N1CCCC1 ZINC000096036820 211296867 /nfs/dbraw/zinc/29/68/67/211296867.db2.gz UCWXJVOVVHEFLV-KRWDZBQOSA-N 1 0 386.521 2.457 40 0 GEABRO CCN1C[C@]2(CC1=O)CN(C(=O)N(C)C)CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096036214 211294676 /nfs/dbraw/zinc/29/46/76/211294676.db2.gz YHMSYIXJSLAPAG-LJQANCHMSA-N 1 0 378.542 2.094 40 0 GEABRO COCC[N@@H+]1CC2(CCN(C(=O)c3ccccc3C)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144243 211308364 /nfs/dbraw/zinc/30/83/64/211308364.db2.gz ZITMSFSVOHUDGQ-HSZRJFAPSA-N 1 0 399.535 2.028 40 0 GEABRO O=C(c1ccc(N2CCCC2)cc1)N1CCc2nnc([C@H]3CCCC[NH2+]3)n2CC1 ZINC000072372831 211103532 /nfs/dbraw/zinc/10/35/32/211103532.db2.gz RANAUXCHACWPAV-LJQANCHMSA-N 1 0 394.523 2.391 40 0 GEABRO C[N@@H+]1CC[C@H](c2nn(CCNC(=O)Cc3cccc(F)c3)c3ncccc23)C1 ZINC000072391592 211109377 /nfs/dbraw/zinc/10/93/77/211109377.db2.gz SKOUJGPTWBCBDO-INIZCTEOSA-N 1 0 381.455 2.348 40 0 GEABRO Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCC[N@H+](CC4CC4)C3)nc2n(C)c1=O ZINC000072374580 211106080 /nfs/dbraw/zinc/10/60/80/211106080.db2.gz VZQPBZKSGJJJTG-LBPRGKRZSA-N 1 0 396.413 2.240 40 0 GEABRO CN(C)c1cc(C[C@H]2CN(C(=O)CCCc3ccccc3)CC[N@H+](C)C2)ncn1 ZINC000072355227 211099141 /nfs/dbraw/zinc/09/91/41/211099141.db2.gz BMOMIGZDYYZSHS-HXUWFJFHSA-N 1 0 395.551 2.498 40 0 GEABRO CN(C)c1cc(C[C@H]2C[NH2+]CCN(C(=O)Cc3ccc(Cl)cc3)C2)ncn1 ZINC000072355160 211099202 /nfs/dbraw/zinc/09/92/02/211099202.db2.gz XGACUECHXQMDQV-INIZCTEOSA-N 1 0 387.915 2.029 40 0 GEABRO CN(C)c1cc(C[C@H]2CN(C(=O)c3ccc(Cl)cc3)CC[N@H+](C)C2)ncn1 ZINC000072355071 211098178 /nfs/dbraw/zinc/09/81/78/211098178.db2.gz CHGBNDUFPFLEDY-OAHLLOKOSA-N 1 0 387.915 2.443 40 0 GEABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334456 211091900 /nfs/dbraw/zinc/09/19/00/211091900.db2.gz LVGFHSXOZIVLDG-NZQKXSOJSA-N 1 0 377.488 2.368 40 0 GEABRO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 ZINC000019716134 210287322 /nfs/dbraw/zinc/28/73/22/210287322.db2.gz XCYGDAZTIKELAW-OAHLLOKOSA-N 1 0 394.479 2.143 40 0 GEABRO COCCOc1ccc(C(=O)N2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019593670 210275237 /nfs/dbraw/zinc/27/52/37/210275237.db2.gz LQKODFYWVRHNNS-LJQANCHMSA-N 1 0 382.464 2.125 40 0 GEABRO COc1cc(C)ccc1C[NH+]1CCC(c2nnc3n2CCN(C(C)=O)CC3)CC1 ZINC000019709414 210284829 /nfs/dbraw/zinc/28/48/29/210284829.db2.gz ZKYBIXXPMMIPMX-UHFFFAOYSA-N 1 0 397.523 2.379 40 0 GEABRO O=C(c1cc(C2CCCCC2)no1)N1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000019709227 210283957 /nfs/dbraw/zinc/28/39/57/210283957.db2.gz CGZGFRAUDRTPSL-INIZCTEOSA-N 1 0 398.511 2.479 40 0 GEABRO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCC(COc3ccc(Cl)cc3)CC2)C1 ZINC000019663752 210279863 /nfs/dbraw/zinc/27/98/63/210279863.db2.gz HAGUAUYUDNREME-MRXNPFEDSA-N 1 0 393.915 2.155 40 0 GEABRO NC(=O)C1(N2CCOCC2)CC[NH+](Cc2ccc3cccc(Cl)c3n2)CC1 ZINC000019659001 210277346 /nfs/dbraw/zinc/27/73/46/210277346.db2.gz LVLKUNQHRWLGIX-UHFFFAOYSA-N 1 0 388.899 2.040 40 0 GEABRO COc1cccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)c1 ZINC000019590256 210273250 /nfs/dbraw/zinc/27/32/50/210273250.db2.gz LHYJOTMBGNWFTJ-INIZCTEOSA-N 1 0 396.491 2.127 40 0 GEABRO COc1ccccc1OCC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019590413 210272956 /nfs/dbraw/zinc/27/29/56/210272956.db2.gz IAHVAIORMZMRGS-INIZCTEOSA-N 1 0 396.491 2.258 40 0 GEABRO Fc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(N4CCOCC4)nc23)cc1 ZINC000096244149 136185603 /nfs/dbraw/zinc/18/56/03/136185603.db2.gz VTDQUMCFHZSTCC-NRFANRHFSA-N 1 0 384.455 2.126 40 0 GEABRO CN(Cc1ccccc1)[C@@H]1[C@@H](C[NH2+]Cc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000096482535 560060089 /nfs/dbraw/zinc/06/00/89/560060089.db2.gz UODNZUGCUYOBIQ-PLACYPQZSA-N 1 0 390.911 2.051 40 0 biogenic,in-vitro GEABRO O=c1ccc(-c2cncnc2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(CO)o2)C1 ZINC000005439627 560202160 /nfs/dbraw/zinc/20/21/60/560202160.db2.gz YZBUTTUHDSNDMG-LSDHHAIUSA-N 1 0 378.432 2.010 40 0 biogenic,in-vitro GEABRO COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCOCC3)no2)cc1 ZINC000008623712 560209923 /nfs/dbraw/zinc/20/99/23/560209923.db2.gz FGOVVFOZJYPPNH-ROUUACIJSA-N 1 0 399.491 2.367 40 0 biogenic,in-vitro GEABRO C[NH+](C)CCCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccncc2)n1 ZINC000329020313 570213476 /nfs/dbraw/zinc/21/34/76/570213476.db2.gz OANFZURYIVOGDR-UHFFFAOYSA-N 1 0 392.463 2.218 40 0 GEABRO CCc1cc(Br)cc2sc(NC(=O)c3cn(CC[NH3+])nn3)nc21 ZINC000662535229 570220168 /nfs/dbraw/zinc/22/01/68/570220168.db2.gz JKKDWWNJAZJSKJ-UHFFFAOYSA-N 1 0 395.286 2.424 40 0 GEABRO CCC(CC)[N@@H+]1CCN(C(=O)COC)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284175 570251409 /nfs/dbraw/zinc/25/14/09/570251409.db2.gz VLLSVJJGVZRCQI-QFIPXVFZSA-N 1 0 392.540 2.393 40 0 GEABRO O=C(c1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCc2ccccc2Cl)C1 ZINC000585289760 570257369 /nfs/dbraw/zinc/25/73/69/570257369.db2.gz JSIGKCIEKIHFET-CTNGQTDRSA-N 1 0 388.895 2.110 40 0 GEABRO CCOC(=O)[C@H]1C[C@@H]2[C@@H](CCCC[C@@H]2[NH3+])N1S(=O)(=O)c1ccc(C)cc1 ZINC000212417542 570277422 /nfs/dbraw/zinc/27/74/22/570277422.db2.gz TYPMIHQCXOEJSM-WNRNVDISSA-N 1 0 380.510 2.207 40 0 GEABRO C[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000103855799 570296998 /nfs/dbraw/zinc/29/69/98/570296998.db2.gz RTWNEQGTCXTFAH-YCQQOHMZSA-N 1 0 381.819 2.285 40 0 GEABRO COc1ccccc1CN1CC[NH+](Cc2cn(CC(N)=O)c3ccccc23)CC1 ZINC000022035443 570302733 /nfs/dbraw/zinc/30/27/33/570302733.db2.gz FDTUQROVGLWAQP-UHFFFAOYSA-N 1 0 392.503 2.453 40 0 GEABRO O=S(=O)(N[C@H]1CCOC2(CC[NH+](Cc3ccccc3F)CC2)C1)C1CC1 ZINC000108530574 570313067 /nfs/dbraw/zinc/31/30/67/570313067.db2.gz LOCLUGYQSCZHAC-INIZCTEOSA-N 1 0 382.501 2.421 40 0 GEABRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N2CC[NH2+]CC2)cc1 ZINC000072216352 570317429 /nfs/dbraw/zinc/31/74/29/570317429.db2.gz FWDSOHMKDXXWDN-IBGZPJMESA-N 1 0 386.521 2.325 40 0 GEABRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCC(N)=O ZINC000022075684 570321810 /nfs/dbraw/zinc/32/18/10/570321810.db2.gz ZHRBCMQKETZOOT-MRXNPFEDSA-N 1 0 378.856 2.426 40 0 GEABRO Cc1c(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c2ccccc2n1CC(N)=O ZINC000022863424 570332230 /nfs/dbraw/zinc/33/22/30/570332230.db2.gz YKOZOTVAXSIXEH-SFHVURJKSA-N 1 0 384.524 2.122 40 0 GEABRO Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCC[NH+](C)C)ccc2C)cc1 ZINC000224310418 570508510 /nfs/dbraw/zinc/50/85/10/570508510.db2.gz AHPKFDPOSHBFOV-UHFFFAOYSA-N 1 0 389.521 2.420 40 0 GEABRO CSc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1NC(=O)C(C)C ZINC000224796611 570531233 /nfs/dbraw/zinc/53/12/33/570531233.db2.gz VBFJIBVUAXZHQA-UHFFFAOYSA-N 1 0 385.555 2.376 40 0 GEABRO COCc1nn2c(nnc3c2ccn(CCC[NH+](C)C)c3=O)c1-c1ccccc1 ZINC000040391125 570599951 /nfs/dbraw/zinc/59/99/51/570599951.db2.gz XEWAMVHUGPHULD-UHFFFAOYSA-N 1 0 392.463 2.204 40 0 GEABRO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCc2ccccc21 ZINC000012114374 570610014 /nfs/dbraw/zinc/61/00/14/570610014.db2.gz WEEUVIJIPQDGHA-VSOVRNOCSA-N 1 0 380.492 2.214 40 0 GEABRO Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]C[C@H]3COC(C)(C)O3)cc12 ZINC000012186883 570621422 /nfs/dbraw/zinc/62/14/22/570621422.db2.gz DQFGRWBXAAOBDK-INIZCTEOSA-N 1 0 386.427 2.402 40 0 GEABRO [NH3+][C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)c1cc(F)c(F)cc1F ZINC000265540948 570797752 /nfs/dbraw/zinc/79/77/52/570797752.db2.gz UFFJUCIKOZGGMZ-NSHDSACASA-N 1 0 393.291 2.147 40 0 GEABRO [NH3+][C@@]1(CO)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218218989 570817008 /nfs/dbraw/zinc/81/70/08/570817008.db2.gz JNNYBHRAKXTHCD-JYJNAYRXSA-N 1 0 382.279 2.079 40 0 GEABRO CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 ZINC000019446821 570925837 /nfs/dbraw/zinc/92/58/37/570925837.db2.gz WXHLEJHCXOGUNW-OALUTQOASA-N 1 0 376.549 2.500 40 0 GEABRO Cn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCC2CC2)c(C(F)F)n1 ZINC000585103335 570932023 /nfs/dbraw/zinc/93/20/23/570932023.db2.gz UQNOGWZVWVHSEY-IFXJQAMLSA-N 1 0 382.455 2.178 40 0 GEABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2scnc2C)CC1 ZINC000585106233 570936453 /nfs/dbraw/zinc/93/64/53/570936453.db2.gz GUFTUZBMZYQXDT-BMFZPTHFSA-N 1 0 390.553 2.293 40 0 GEABRO COC(=O)c1ccc(Nc2cc(C3CC3)nc(NCCC[NH+](C)C)n2)cc1OC ZINC000328965259 571047455 /nfs/dbraw/zinc/04/74/55/571047455.db2.gz CBXCYELTEOPIOX-UHFFFAOYSA-N 1 0 399.495 2.100 40 0 GEABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)n1 ZINC000019572707 210267927 /nfs/dbraw/zinc/26/79/27/210267927.db2.gz RCOGPZSIJOSUMX-IRXDYDNUSA-N 1 0 382.512 2.245 40 0 GEABRO COc1ccccc1CCC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019569846 210265158 /nfs/dbraw/zinc/26/51/58/210265158.db2.gz IYEQCMKXEPAPBQ-QGZVFWFLSA-N 1 0 380.492 2.470 40 0 GEABRO Cc1cc(=O)n(CC(=O)N(C[C@H]2CCCO2)C2CC[NH+](C)CC2)c2ccccc12 ZINC000019566459 210264933 /nfs/dbraw/zinc/26/49/33/210264933.db2.gz ZWRCPHDKNRBKAU-LJQANCHMSA-N 1 0 397.519 2.412 40 0 GEABRO COc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)cc1OC ZINC000019560389 210264546 /nfs/dbraw/zinc/26/45/46/210264546.db2.gz NCIPYDBGGJBINF-UHFFFAOYSA-N 1 0 396.491 2.088 40 0 GEABRO COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)cc1OC ZINC000019560527 210263872 /nfs/dbraw/zinc/26/38/72/210263872.db2.gz JZLWEHFZDLTLQV-MRXNPFEDSA-N 1 0 396.491 2.088 40 0 GEABRO COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@H]1c1ncc3c(n1)CC[NH2+]C3)CO2 ZINC000019562401 210263207 /nfs/dbraw/zinc/26/32/07/210263207.db2.gz GRRVYSNDKIYGHN-BEFAXECRSA-N 1 0 394.475 2.046 40 0 GEABRO Cc1c(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cnn1C ZINC000019553988 210262278 /nfs/dbraw/zinc/26/22/78/210262278.db2.gz HTEMYUJIWJAACN-GOSISDBHSA-N 1 0 376.526 2.480 40 0 GEABRO Cc1nn(C[C@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)c(C)c1C ZINC000019556802 210262149 /nfs/dbraw/zinc/26/21/49/210262149.db2.gz YISQSVLGGWUPLE-DJJJIMSYSA-N 1 0 382.512 2.244 40 0 GEABRO COc1ccc(OC)c(C(=O)N2CCc3nc(C4CC[NH2+]CC4)ncc3C2)c1 ZINC000019551100 210261649 /nfs/dbraw/zinc/26/16/49/210261649.db2.gz FIOCCWMYJTWDHN-UHFFFAOYSA-N 1 0 382.464 2.159 40 0 GEABRO C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019457723 210251355 /nfs/dbraw/zinc/25/13/55/210251355.db2.gz WBQBDFJTFGSZGC-MGPUTAFESA-N 1 0 390.491 2.472 40 0 GEABRO C[NH+](C)CCNc1nc(NCc2ccc(F)c(F)c2)cc(C(F)(F)F)n1 ZINC000329004302 231047004 /nfs/dbraw/zinc/04/70/04/231047004.db2.gz KRAWOHLOMFYJPZ-UHFFFAOYSA-N 1 0 375.345 2.203 40 0 GEABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21)c1ccc2c(c1)CCCC2 ZINC000019345549 210241415 /nfs/dbraw/zinc/24/14/15/210241415.db2.gz ZEPLNASBKVNGSF-GOSISDBHSA-N 1 0 390.491 2.212 40 0 GEABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)ccc1OCCO ZINC000019237853 210236430 /nfs/dbraw/zinc/23/64/30/210236430.db2.gz DTKZCNDLQLNNJM-YYDVJCTNSA-N 1 0 398.503 2.499 40 0 GEABRO Cc1ccn(C[C@H](C)C(=O)N2CCc3nc([C@H]4CCC[N@H+](C)C4)ncc3C2)n1 ZINC000019237983 210235892 /nfs/dbraw/zinc/23/58/92/210235892.db2.gz CYDOKEGCOMEVOM-RDJZCZTQSA-N 1 0 382.512 2.012 40 0 GEABRO COc1ccc(C)cc1CC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000019133141 210227760 /nfs/dbraw/zinc/22/77/60/210227760.db2.gz ZKGBJCCIDWXWDH-INIZCTEOSA-N 1 0 393.491 2.184 40 0 GEABRO COc1ccc(C)cc1CC(=O)N1CC[C@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019132958 210226570 /nfs/dbraw/zinc/22/65/70/210226570.db2.gz PTIZHGYRUUHWTO-INIZCTEOSA-N 1 0 393.491 2.266 40 0 GEABRO C[C@H](C(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2)N1CCCC1=O ZINC000019077466 210224099 /nfs/dbraw/zinc/22/40/99/210224099.db2.gz GGQJQQLFCOJWJI-FVYSKSNYSA-N 1 0 385.508 2.319 40 0 GEABRO C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019078914 210223982 /nfs/dbraw/zinc/22/39/82/210223982.db2.gz DVTIFNKDNGMKBA-MSOLQXFVSA-N 1 0 398.511 2.297 40 0 GEABRO COc1ccccc1O[C@H](C)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019079402 210223062 /nfs/dbraw/zinc/22/30/62/210223062.db2.gz BRRDNFFIWICLGJ-HZPDHXFCSA-N 1 0 396.491 2.304 40 0 GEABRO O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000015021683 210146065 /nfs/dbraw/zinc/14/60/65/210146065.db2.gz XIRZRIMQXCVAIQ-QLDGJZPUSA-N 1 0 391.402 2.257 40 0 GEABRO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@@H+]3CC[C@]4(C(=O)Nc5cc(OC)ccc54)[C@@H]3C[C@H]12 ZINC000014917641 210131165 /nfs/dbraw/zinc/13/11/65/210131165.db2.gz SRKHGHLMEDVZRX-XZLQSYOBSA-N 1 0 398.459 2.071 40 0 GEABRO CC[C@@H](C(=O)NCC[NH+]1CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713969 210082724 /nfs/dbraw/zinc/08/27/24/210082724.db2.gz GMCQWRJCJRWPFD-SFHVURJKSA-N 1 0 381.542 2.142 40 0 GEABRO C[NH+](C)CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000013669939 210078167 /nfs/dbraw/zinc/07/81/67/210078167.db2.gz NHOFKWYOAZVPCM-UHFFFAOYSA-N 1 0 393.484 2.089 40 0 GEABRO Cc1cccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)c1 ZINC000013612132 210072207 /nfs/dbraw/zinc/07/22/07/210072207.db2.gz BIECZQZPRCJCBN-UHFFFAOYSA-N 1 0 381.542 2.143 40 0 GEABRO CC(C)n1c2ccc(S(=O)(=O)NCCC[NH+]3CCCC3)cc2sc1=O ZINC000225710776 532488477 /nfs/dbraw/zinc/48/84/77/532488477.db2.gz ODKRSPUQCXDZGR-UHFFFAOYSA-N 1 0 383.539 2.408 40 0 GEABRO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccccn3)CC1)COC2 ZINC000306145036 212058001 /nfs/dbraw/zinc/05/80/01/212058001.db2.gz ZVVJHOZKJDKIBJ-MRXNPFEDSA-N 1 0 398.511 2.014 40 0 GEABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(C)S(=O)(=O)c2cccnc2O3)s1 ZINC000306145076 212057018 /nfs/dbraw/zinc/05/70/18/212057018.db2.gz ZXACQYQQBYEJBR-UHFFFAOYSA-N 1 0 393.534 2.499 40 0 GEABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4ccco4)C[C@H]2C3)cc1 ZINC000306141737 212055291 /nfs/dbraw/zinc/05/52/91/212055291.db2.gz WEZCQFSZOAUIKT-CABCVRRESA-N 1 0 393.447 2.436 40 0 GEABRO COCCN1CC[C@]2(C[N@H+](Cc3ccccn3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306143445 212054991 /nfs/dbraw/zinc/05/49/91/212054991.db2.gz YCNZVGSDCHUOIV-SIKLNZKXSA-N 1 0 397.523 2.324 40 0 GEABRO COc1ncccc1C[NH+]1CCC2(CCc3nnc(C(=O)NC(C)C)n3C2)CC1 ZINC000306142821 212054362 /nfs/dbraw/zinc/05/43/62/212054362.db2.gz XKTDJXSKXROVJN-UHFFFAOYSA-N 1 0 398.511 2.049 40 0 GEABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccccn3)C[C@@H]1C2 ZINC000306139154 212052246 /nfs/dbraw/zinc/05/22/46/212052246.db2.gz SQTAHOABWUGVBE-GJZGRUSLSA-N 1 0 392.438 2.369 40 0 GEABRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)c1 ZINC000306136196 212051744 /nfs/dbraw/zinc/05/17/44/212051744.db2.gz PMJZNASWKZJUBB-QFIPXVFZSA-N 1 0 396.491 2.003 40 0 GEABRO COc1ccc2c(n1)-n1c(C)ncc1C1(CCC(C(=O)NCC[NH+](C)C)CC1)N2 ZINC000306134361 212050923 /nfs/dbraw/zinc/05/09/23/212050923.db2.gz NKZRHIJLARCPDG-UHFFFAOYSA-N 1 0 398.511 2.073 40 0 GEABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](CC(C)C)CC2)C1 ZINC000306136167 212050498 /nfs/dbraw/zinc/05/04/98/212050498.db2.gz PLHCXNQTTJIAKM-UHFFFAOYSA-N 1 0 384.484 2.369 40 0 GEABRO Cn1cc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cn(CC4CCC4)nc23)cn1 ZINC000306127921 212047359 /nfs/dbraw/zinc/04/73/59/212047359.db2.gz GKRUCCGULALZIV-UHFFFAOYSA-N 1 0 382.512 2.036 40 0 GEABRO Cc1cc(C)cc(C[N@@H+]2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)c1 ZINC000306123023 212043561 /nfs/dbraw/zinc/04/35/61/212043561.db2.gz ACMDIYQABWTXRA-RBUKOAKNSA-N 1 0 380.492 2.051 40 0 GEABRO C[NH+](C)CCCNC(=O)c1nc(-c2ccnn2-c2ccccc2)n2ccncc12 ZINC000306126022 212045464 /nfs/dbraw/zinc/04/54/64/212045464.db2.gz DJQJINOPIGAINO-UHFFFAOYSA-N 1 0 389.463 2.264 40 0 GEABRO CC(C)CS(=O)(=O)N1CCC2(C[C@H](C[NH+]3CCC(F)(F)CC3)O2)CC1 ZINC000306123684 212045220 /nfs/dbraw/zinc/04/52/20/212045220.db2.gz ATVGMFLQOLWLIA-OAHLLOKOSA-N 1 0 380.501 2.327 40 0 GEABRO CC(C)CS(=O)(=O)N1CCC2(C[C@@H](C[NH+]3CCC(F)(F)CC3)O2)CC1 ZINC000306123683 212044804 /nfs/dbraw/zinc/04/48/04/212044804.db2.gz ATVGMFLQOLWLIA-HNNXBMFYSA-N 1 0 380.501 2.327 40 0 GEABRO Cc1c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+]C3)sc2ncn(C)c(=O)c12 ZINC000257343941 212027837 /nfs/dbraw/zinc/02/78/37/212027837.db2.gz ZVBLZILOYWUXBE-PCRRDVQSSA-N 1 0 386.521 2.439 40 0 GEABRO CCc1[nH]nc(C(=O)N2CC[C@@H](O)[C@H]3[C@H](c4ccccc4)C[N@@H+](C)[C@@H]3C2)c1C ZINC000257325057 212025225 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C[N@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)Nc2cccs2)[C@H]1O ZINC000514288969 560033736 /nfs/dbraw/zinc/03/37/36/560033736.db2.gz MENKVDUUAVKMIG-XYJFISCASA-N 1 0 375.494 2.172 40 0 biogenic,in-vitro GEABRO C[NH+]1CCC(N2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)CC1 ZINC000035425298 560080018 /nfs/dbraw/zinc/08/00/18/560080018.db2.gz WXVPRIAQKKMKPC-SFHVURJKSA-N 1 0 398.511 2.199 40 0 biogenic,in-vitro GEABRO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4C(C)C)n3)ccn2)CC1 ZINC000049155025 560084068 /nfs/dbraw/zinc/08/40/68/560084068.db2.gz GUUKPBSOEWCDRG-KRWDZBQOSA-N 1 0 384.484 2.345 40 0 biogenic,in-vitro GEABRO COc1ccccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+](C)C ZINC000585262178 570229580 /nfs/dbraw/zinc/22/95/80/570229580.db2.gz JGPAWQASLJGJSW-LMCOJAPRSA-N 1 0 388.439 2.075 40 0 GEABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]CCCc2ccccc2)[C@@H](O)C1 ZINC000585286273 570255504 /nfs/dbraw/zinc/25/55/04/570255504.db2.gz YHNXPMOHNCWJFM-UPVQGACJSA-N 1 0 396.531 2.166 40 0 GEABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCc2ccccc2)[C@@H](O)C1 ZINC000585286225 570255547 /nfs/dbraw/zinc/25/55/47/570255547.db2.gz XVAQCDHLRFUFGS-FPOVZHCZSA-N 1 0 388.895 2.110 40 0 GEABRO C[N@H+](Cc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286140 570255734 /nfs/dbraw/zinc/25/57/34/570255734.db2.gz WIQUTZDXRHNGKV-PZJWPPBQSA-N 1 0 388.895 2.410 40 0 GEABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N2CC[NH2+]CC2)cc1 ZINC000072216351 570317520 /nfs/dbraw/zinc/31/75/20/570317520.db2.gz FWDSOHMKDXXWDN-LJQANCHMSA-N 1 0 386.521 2.325 40 0 GEABRO COc1c(Br)cc(Br)cc1CNCC[NH2+]C[C@@H](C)O ZINC000022074857 570321273 /nfs/dbraw/zinc/32/12/73/570321273.db2.gz JUNYVALJGKPDLP-SECBINFHSA-N 1 0 396.123 2.280 40 0 GEABRO COc1cc2c(cc1OC)[C@]13CC[N@@H+]4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5[C@@H]4C3 ZINC000004403996 570373641 /nfs/dbraw/zinc/37/36/41/570373641.db2.gz IHRVRFDLHXNIGN-VZRBVCMZSA-N 1 0 394.471 2.110 40 0 GEABRO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCCCC1)c1ccccc1F ZINC000222584243 570415350 /nfs/dbraw/zinc/41/53/50/570415350.db2.gz XWFARHMGNBNIEI-UHFFFAOYSA-N 1 0 399.532 2.364 40 0 GEABRO CCC(=O)N1CCc2cc(S(=O)(=O)NCCC[NH+]3CCC(C)CC3)ccc21 ZINC000004969195 570420365 /nfs/dbraw/zinc/42/03/65/570420365.db2.gz MFKBSFOTVBPSBN-UHFFFAOYSA-N 1 0 393.553 2.386 40 0 GEABRO CCCCN1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccc(C)c(C)c4NC3=O)[C@@H]2C1=O ZINC000035365976 570477427 /nfs/dbraw/zinc/47/74/27/570477427.db2.gz PCCPNCHLBHQKNC-TXXWUTRGSA-N 1 0 381.476 2.330 40 0 GEABRO CCOC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000038836363 570587001 /nfs/dbraw/zinc/58/70/01/570587001.db2.gz NLZPHGDKQCCHRD-QGZVFWFLSA-N 1 0 377.460 2.338 40 0 GEABRO CCn1c2ccc(S(=O)(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)cc2sc1=O ZINC000225698070 570605002 /nfs/dbraw/zinc/60/50/02/570605002.db2.gz KHLDAVJADLFXAG-CQSZACIVSA-N 1 0 397.566 2.483 40 0 GEABRO Cc1cc2c(ncn(CC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c2=O)s1 ZINC000012205012 570625364 /nfs/dbraw/zinc/62/53/64/570625364.db2.gz PBIFUOBRNATHHK-ZIAGYGMSSA-N 1 0 376.526 2.251 40 0 GEABRO Cc1ccc(NC(=[NH2+])NC2=N[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2)cc1 ZINC000009264754 570774325 /nfs/dbraw/zinc/77/43/25/570774325.db2.gz BAIWUKXYIIDUFS-MRXNPFEDSA-N 1 0 378.436 2.123 40 0 GEABRO Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCS(C)(=O)=O)CC2)s1 ZINC000585099971 570926305 /nfs/dbraw/zinc/92/63/05/570926305.db2.gz BNASFJNQOOTCCU-SFHVURJKSA-N 1 0 399.582 2.152 40 0 GEABRO CC[NH+]1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2ccc(Cl)cc2)CC1 ZINC000019527998 570928376 /nfs/dbraw/zinc/92/83/76/570928376.db2.gz ITLPFWRJZHKEOH-ROUUACIJSA-N 1 0 390.919 2.232 40 0 GEABRO Cc1noc(C)c1CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC000585104992 570934119 /nfs/dbraw/zinc/93/41/19/570934119.db2.gz XKRKDNOXSHJNGH-HXUWFJFHSA-N 1 0 388.468 2.147 40 0 GEABRO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)NCc2ccccc2)CC1 ZINC000585106172 570935768 /nfs/dbraw/zinc/93/57/68/570935768.db2.gz UWOUERSTPHEJTO-UXHICEINSA-N 1 0 398.551 2.455 40 0 GEABRO O=S(=O)(c1ccccc1F)N1Cc2ccnn2[C@@H](CC[NH+]2CCCC2)C1 ZINC000585112415 570942605 /nfs/dbraw/zinc/94/26/05/570942605.db2.gz PIIYRZGIAQJQFE-INIZCTEOSA-N 1 0 378.473 2.254 40 0 GEABRO C[C@H](C(=O)NCCC[NH+](C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000010111471 642357504 /nfs/dbraw/zinc/35/75/04/642357504.db2.gz HSBXMCUIWYNCHO-LLVKDONJSA-N 1 0 396.340 2.216 40 0 GEABRO COc1cc(C[N@@H+]2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc2c1OCCO2 ZINC000019549940 210259478 /nfs/dbraw/zinc/25/94/78/210259478.db2.gz QXCKKWWZALUUAF-CQSZACIVSA-N 1 0 395.419 2.296 40 0 GEABRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)ccc1OCCO ZINC000019550226 210258754 /nfs/dbraw/zinc/25/87/54/210258754.db2.gz QLZOTAOXVGJVJO-SVMVAKDDSA-N 1 0 384.476 2.191 40 0 GEABRO CCOc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)cc1OC ZINC000019533908 210257973 /nfs/dbraw/zinc/25/79/73/210257973.db2.gz KZLOUMQGDPHTIJ-UHFFFAOYSA-N 1 0 398.507 2.378 40 0 GEABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019500949 210255472 /nfs/dbraw/zinc/25/54/72/210255472.db2.gz PHDAIIJSOBQNCM-UYAOXDASSA-N 1 0 399.539 2.309 40 0 GEABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21)c1cc2c(s1)CCCC2 ZINC000019404497 210248952 /nfs/dbraw/zinc/24/89/52/210248952.db2.gz HAFKUZKEZOJYSR-AWEZNQCLSA-N 1 0 396.520 2.274 40 0 GEABRO [NH3+]CCn1nc([C@@H]2CCN(C(=O)c3cc4c(s3)CCCC4)C2)c2nccnc21 ZINC000019404386 210248544 /nfs/dbraw/zinc/24/85/44/210248544.db2.gz SGHBDURIAHWBPA-CQSZACIVSA-N 1 0 396.520 2.355 40 0 GEABRO O=C(CCn1cnc2ccccc21)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019376695 210246788 /nfs/dbraw/zinc/24/67/88/210246788.db2.gz YRDOBOMYNJZHNX-IBGZPJMESA-N 1 0 376.464 2.226 40 0 GEABRO O=C(NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21)c1ccc2c(c1)CCCC2 ZINC000019345551 210242193 /nfs/dbraw/zinc/24/21/93/210242193.db2.gz ZEPLNASBKVNGSF-SFHVURJKSA-N 1 0 390.491 2.212 40 0 GEABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)c3ccc4c(c3)CCCC4)C2)c2nccnc21 ZINC000019345471 210241082 /nfs/dbraw/zinc/24/10/82/210241082.db2.gz MFFJEXPTOZPEQJ-SFHVURJKSA-N 1 0 390.491 2.294 40 0 GEABRO O=S(=O)(Cc1cccc(F)c1)N1CCCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019293943 210239719 /nfs/dbraw/zinc/23/97/19/210239719.db2.gz PMSCIASYZLFKPP-GOSISDBHSA-N 1 0 390.484 2.318 40 0 GEABRO O=C([C@@H]1CC(=O)OC12CCCCC2)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019292282 210238615 /nfs/dbraw/zinc/23/86/15/210238615.db2.gz GZWKFLDZUDQEDH-RDJZCZTQSA-N 1 0 398.507 2.094 40 0 GEABRO O=C(c1n[nH]c2c1CCCCC2)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019292386 210237675 /nfs/dbraw/zinc/23/76/75/210237675.db2.gz QCEKOZRAUHLMNF-AWEZNQCLSA-N 1 0 380.496 2.134 40 0 GEABRO Cc1nc2cc(C(=O)N3CCc4nc(C5CC[NH2+]CC5)ncc4C3)ccc2n1C ZINC000019286531 210237599 /nfs/dbraw/zinc/23/75/99/210237599.db2.gz QMOGOCXYSKHSHN-UHFFFAOYSA-N 1 0 390.491 2.337 40 0 GEABRO Cc1ccn(C[C@H](C)C(=O)N2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)n1 ZINC000019237916 210235959 /nfs/dbraw/zinc/23/59/59/210235959.db2.gz PQIDJKUVWZLQLT-HNNXBMFYSA-N 1 0 382.512 2.012 40 0 GEABRO COc1c(C)cccc1C(=O)N1CC[C@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019235811 210232739 /nfs/dbraw/zinc/23/27/39/210232739.db2.gz YQAOHUOPMFGTFK-HNNXBMFYSA-N 1 0 379.464 2.337 40 0 GEABRO Cc1ccc2oc(C(=O)N3CC[C@H](c4nn(CC[NH3+])c5nccnc45)C3)cc2c1 ZINC000019221262 210231772 /nfs/dbraw/zinc/23/17/72/210231772.db2.gz XZBAIFUDXZVBKE-AWEZNQCLSA-N 1 0 390.447 2.469 40 0 GEABRO C[C@H](Oc1cccc(F)c1)C(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019079366 210223695 /nfs/dbraw/zinc/22/36/95/210223695.db2.gz VFXVKFMVTUVMJQ-GJZGRUSLSA-N 1 0 384.455 2.435 40 0 GEABRO O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015223785 210155090 /nfs/dbraw/zinc/15/50/90/210155090.db2.gz XVFDNPQFWIJIKA-LVBDUCALSA-N 1 0 387.439 2.113 40 0 GEABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3[C@H](O)[C@@]21C ZINC000002157207 209349201 /nfs/dbraw/zinc/34/92/01/209349201.db2.gz NIQPEHCERNDLQS-ANPILNASSA-N 1 0 391.508 2.110 40 0 GEABRO O=C([C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccc3)CC2)O1)N1CCCC1 ZINC000063528510 212070195 /nfs/dbraw/zinc/07/01/95/212070195.db2.gz NMNOEWHVPRLVRO-LJQANCHMSA-N 1 0 380.492 2.396 40 0 GEABRO O=C(NCC1CC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccnc2)CC1 ZINC000306129791 212046906 /nfs/dbraw/zinc/04/69/06/212046906.db2.gz IMZWKEXABMTOLI-UHFFFAOYSA-N 1 0 380.496 2.042 40 0 GEABRO COCCN1CC[C@]2(C[N@H+](Cc3cccnc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130770 212049054 /nfs/dbraw/zinc/04/90/54/212049054.db2.gz JOYBINWRWBOHDF-SIKLNZKXSA-N 1 0 397.523 2.324 40 0 GEABRO CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000306131390 212048827 /nfs/dbraw/zinc/04/88/27/212048827.db2.gz KDCHVFUJYMMKRB-UHFFFAOYSA-N 1 0 399.543 2.016 40 0 GEABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@@H+](Cc4cccs4)C[C@H]32)cc1 ZINC000306127661 212046433 /nfs/dbraw/zinc/04/64/33/212046433.db2.gz GEIMKSQTHXLAJW-AEFFLSMTSA-N 1 0 394.500 2.052 40 0 GEABRO Cc1cc(N2C[C@@]3(F)CN(C(=O)C[N@@H+](C)C(C)C)C[C@@]3(F)C2=O)c(C)s1 ZINC000306125362 212045581 /nfs/dbraw/zinc/04/55/81/212045581.db2.gz CNKZGRPMGAGDGP-ZWKOTPCHSA-N 1 0 385.480 2.311 40 0 GEABRO Cc1ccn(CCC(=O)N(C)C[C@H]2C[C@]3(C)[C@@H](CCCC[C@]3(C)O)[N@@H+]2C)n1 ZINC000257337773 212027552 /nfs/dbraw/zinc/02/75/52/212027552.db2.gz YUHNQVJLTBQMHL-UKAVVXHISA-N 1 0 376.545 2.444 40 0 GEABRO CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257282531 212016616 /nfs/dbraw/zinc/01/66/16/212016616.db2.gz OUDBSSFTXXKWQI-CZYKHXBRSA-N 1 0 384.451 2.269 40 0 GEABRO CC1CC[NH+](CC(=O)N2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)CC1 ZINC000257279417 212016109 /nfs/dbraw/zinc/01/61/09/212016109.db2.gz OGMCFXSADLLRCA-SFHVURJKSA-N 1 0 396.495 2.247 40 0 GEABRO Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)C3)nc(N2CCOCC2)n1 ZINC000257243443 212009691 /nfs/dbraw/zinc/00/96/91/212009691.db2.gz IGZKLKWMGXJJLB-YNFBMLRVSA-N 1 0 399.539 2.099 40 0 GEABRO CN(C(=O)c1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O ZINC000257241969 212009502 /nfs/dbraw/zinc/00/95/02/212009502.db2.gz IALJSJIDUGZKAK-NJDAHSKKSA-N 1 0 398.507 2.194 40 0 GEABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2cncc(O)c2)CC1 ZINC000257200136 212001250 /nfs/dbraw/zinc/00/12/50/212001250.db2.gz ACDSVFONQDGMOU-NRFANRHFSA-N 1 0 387.455 2.416 40 0 GEABRO Cc1n[nH]c(C)c1CC(=O)N1CCC[C@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257204230 212003092 /nfs/dbraw/zinc/00/30/92/212003092.db2.gz ATQDSUFRPMXFEO-HSZRJFAPSA-N 1 0 396.535 2.371 40 0 GEABRO C[NH+](C)CCCNc1nc(NCCc2ccccn2)cc(-c2ccccc2)n1 ZINC000329028387 209157393 /nfs/dbraw/zinc/15/73/93/209157393.db2.gz PUMJLQBDSOXZCX-UHFFFAOYSA-N 1 0 376.508 2.401 40 0 GEABRO C[NH+](C)CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCC4)CC3)CC2)cn1 ZINC000225926362 211936345 /nfs/dbraw/zinc/93/63/45/211936345.db2.gz VYJRLFSQAYYGFP-UHFFFAOYSA-N 1 0 386.496 2.143 40 0 GEABRO CC[C@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C)[nH+]1 ZINC000328967218 209154810 /nfs/dbraw/zinc/15/48/10/209154810.db2.gz CRDFCPUACOPBLX-LBPRGKRZSA-N 1 0 375.498 2.206 40 0 GEABRO COc1ccc(N2C(=O)C[C@H](N3CC[NH+](CCc4cccs4)CC3)C2=O)cc1 ZINC000096900165 211348858 /nfs/dbraw/zinc/34/88/58/211348858.db2.gz UQWLWSIRDFYHEJ-IBGZPJMESA-N 1 0 399.516 2.249 40 0 GEABRO Cn1nccc1-c1ncc(-c2cc(C(=O)NCC[NH+](C)C)n(CC3CC3)c2)cn1 ZINC000096266450 211328893 /nfs/dbraw/zinc/32/88/93/211328893.db2.gz CQOPQOVFQBBETO-UHFFFAOYSA-N 1 0 393.495 2.047 40 0 GEABRO COc1cccc(C(=O)N2CCC3(CC2)[C@@H]2C[N@H+](CC(C)C)C[C@@H]2C(=O)N3C)c1 ZINC000096262212 211327371 /nfs/dbraw/zinc/32/73/71/211327371.db2.gz UCFLYBGBFZIIRM-VQTJNVASSA-N 1 0 399.535 2.346 40 0 GEABRO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096061345 211299231 /nfs/dbraw/zinc/29/92/31/211299231.db2.gz ZVKYYFANYCOBQJ-FQEVSTJZSA-N 1 0 382.508 2.417 40 0 GEABRO CN1CC[NH+](C[C@@H]2CO[C@]3(C2)CCCN(C(=O)c2c[nH]c4ccccc42)C3)CC1 ZINC000096075612 211299176 /nfs/dbraw/zinc/29/91/76/211299176.db2.gz NUORUXQKXIGIMW-JPYJTQIMSA-N 1 0 396.535 2.427 40 0 GEABRO CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1ccccn1)CCC2 ZINC000096056130 211298824 /nfs/dbraw/zinc/29/88/24/211298824.db2.gz QLMQWWJNIYADMS-AVRDEDQJSA-N 1 0 379.508 2.283 40 0 GEABRO CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccn3)CC2)O1 ZINC000096036875 211297361 /nfs/dbraw/zinc/29/73/61/211297361.db2.gz AKXDYRMQKPDTQO-SFHVURJKSA-N 1 0 383.496 2.037 40 0 GEABRO CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1ccco1)CC2 ZINC000096036931 211297222 /nfs/dbraw/zinc/29/72/22/211297222.db2.gz GWUGLXFWUSWOSS-UHFFFAOYSA-N 1 0 394.479 2.230 40 0 GEABRO Cn1cc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3cccnc3)CC2)cn1 ZINC000096036955 211296181 /nfs/dbraw/zinc/29/61/81/211296181.db2.gz QSGTWQVFBNMFDC-UHFFFAOYSA-N 1 0 377.496 2.115 40 0 GEABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(C(=O)c1cccc(OC)c1)CC3 ZINC000096143858 211308626 /nfs/dbraw/zinc/30/86/26/211308626.db2.gz KQZLIKHLKDHMHZ-WMZHIEFXSA-N 1 0 399.535 2.396 40 0 GEABRO COc1ccc(CC[NH2+][C@H](C)[C@@H](O)c2ccc(NS(C)(=O)=O)c(O)c2)cc1 ZINC000084758837 211176456 /nfs/dbraw/zinc/17/64/56/211176456.db2.gz UOEHIRNDXGQHLQ-BFUOFWGJSA-N 1 0 394.493 2.027 40 0 in-man GEABRO C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373090 211103314 /nfs/dbraw/zinc/10/33/14/211103314.db2.gz GUSSHMJHNKDCSN-BZSNNMDCSA-N 1 0 386.540 2.264 40 0 GEABRO C[N@@H+]1CCn2c(nnc2[C@@H]2CCCN2C(=O)C2(c3ccccc3)CCOCC2)C1 ZINC000072373882 211102966 /nfs/dbraw/zinc/10/29/66/211102966.db2.gz WSGUYOKIGXLQGR-SFHVURJKSA-N 1 0 395.507 2.135 40 0 GEABRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373074 211102687 /nfs/dbraw/zinc/10/26/87/211102687.db2.gz LMOUBAQJRCJSPG-KURKYZTESA-N 1 0 386.540 2.264 40 0 GEABRO CN(Cc1cc(C2CC[NH2+]CC2)nn1C)C(=O)[C@H]1CCCN(c2ccccn2)C1 ZINC000019710194 210286085 /nfs/dbraw/zinc/28/60/85/210286085.db2.gz KWNMDEUAXOGYKT-SFHVURJKSA-N 1 0 396.539 2.157 40 0 GEABRO CC(=O)N1CCc2nc(C3CC[NH+](C)CC3)nc(NCCc3ccccn3)c2C1 ZINC000019711488 210285976 /nfs/dbraw/zinc/28/59/76/210285976.db2.gz DMMKUEMOXUJYLX-UHFFFAOYSA-N 1 0 394.523 2.240 40 0 GEABRO COc1ccc(CCC(=O)N2CCn3c(nnc3C3CC[NH+](C)CC3)C2)cc1 ZINC000019711237 210285121 /nfs/dbraw/zinc/28/51/21/210285121.db2.gz KQXFHNGSFAFBSF-UHFFFAOYSA-N 1 0 383.496 2.071 40 0 GEABRO O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019710699 210286658 /nfs/dbraw/zinc/28/66/58/210286658.db2.gz PVZJDCCNBDIXKN-MRXNPFEDSA-N 1 0 396.426 2.195 40 0 GEABRO C[C@H]1Cc2cc(C(=O)N3CCn4c(nnc4C4CC[NH+](C)CC4)C3)ccc2O1 ZINC000019711273 210286688 /nfs/dbraw/zinc/28/66/88/210286688.db2.gz BVUCCBFIZINPKY-AWEZNQCLSA-N 1 0 381.480 2.067 40 0 GEABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)c2nccc4ccccc42)CC3)C1 ZINC000019709251 210283169 /nfs/dbraw/zinc/28/31/69/210283169.db2.gz INXIQBONICDJKU-QGZVFWFLSA-N 1 0 390.491 2.334 40 0 GEABRO CC(C)[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccccc3)C1)C2=O ZINC000019699832 210282368 /nfs/dbraw/zinc/28/23/68/210282368.db2.gz GWSLAYQJCUHQEU-GOSISDBHSA-N 1 0 398.507 2.086 40 0 GEABRO O=C(OCCN1CC[N@@H+]2CCC[C@@H]2C1)C(O)(c1ccccc1)c1ccccc1 ZINC000019681155 210280812 /nfs/dbraw/zinc/28/08/12/210280812.db2.gz NLVIQIZWJOFJLJ-OAQYLSRUSA-N 1 0 380.488 2.246 40 0 GEABRO Cc1ccc(-c2cnc(NC(=O)[C@@H]3CCC[N@H+](CCC(N)=O)C3)n2C)cc1C ZINC000019654807 210278348 /nfs/dbraw/zinc/27/83/48/210278348.db2.gz DLWUWCMSUKFZLU-QGZVFWFLSA-N 1 0 383.496 2.230 40 0 GEABRO CNc1ncc(C(=O)N2Cc3ccccc3OC3(CCC([NH2+]C)CC3)C2)cn1 ZINC000019592366 210275619 /nfs/dbraw/zinc/27/56/19/210275619.db2.gz DWCMMMFJNOPEGQ-UHFFFAOYSA-N 1 0 381.480 2.454 40 0 GEABRO C[NH2+]C1CCC2(CC1)CN(C(=O)c1cnc(N(C)C)nc1)Cc1ccccc1O2 ZINC000019591982 210275056 /nfs/dbraw/zinc/27/50/56/210275056.db2.gz RRMXHCKOFAHQJB-UHFFFAOYSA-N 1 0 395.507 2.478 40 0 GEABRO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCN(c3ncc4c(n3)CCOC4)C2)cc1 ZINC000019583529 210270288 /nfs/dbraw/zinc/27/02/88/210270288.db2.gz WSIPELUBWIQXPB-IBGZPJMESA-N 1 0 395.507 2.010 40 0 GEABRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)ccc1F ZINC000019570779 210268943 /nfs/dbraw/zinc/26/89/43/210268943.db2.gz RIQKDYLFIFZQMB-GOSISDBHSA-N 1 0 390.484 2.486 40 0 GEABRO COc1ccccc1CCC(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019569894 210268378 /nfs/dbraw/zinc/26/83/78/210268378.db2.gz SZNNLTYRVXADSE-KRWDZBQOSA-N 1 0 380.492 2.470 40 0 GEABRO COCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019593089 210274213 /nfs/dbraw/zinc/27/42/13/210274213.db2.gz GTMGGQKUPNWBCT-HNNXBMFYSA-N 1 0 388.512 2.225 40 0 GEABRO C[N@@H+]1CCc2nc(C3CCN(C(=O)COc4ccc(F)cc4)CC3)ncc2C1 ZINC000019590677 210272709 /nfs/dbraw/zinc/27/27/09/210272709.db2.gz OKKRKKDNEGLMSH-UHFFFAOYSA-N 1 0 384.455 2.389 40 0 GEABRO COc1ccc(OCC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019590407 210271773 /nfs/dbraw/zinc/27/17/73/210271773.db2.gz YYKWHFCODIDIJT-INIZCTEOSA-N 1 0 396.491 2.258 40 0 GEABRO C[NH+]1CCC(N(C[C@H]2CCCO2)C(=O)CCc2nc(-c3ccccn3)no2)CC1 ZINC000019588106 210271943 /nfs/dbraw/zinc/27/19/43/210271943.db2.gz GCRHXQBFDVUDPE-QGZVFWFLSA-N 1 0 399.495 2.166 40 0 GEABRO C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@@H+](C3CCC3)CCN21 ZINC000514290233 560030026 /nfs/dbraw/zinc/03/00/26/560030026.db2.gz VJFKHJPLMWETAR-ICSRJNTNSA-N 1 0 377.916 2.086 40 0 biogenic,in-vitro GEABRO Cc1nc(C)c(C[NH2+]C[C@@]2(COc3cccc(C)n3)C[C@@H](O)[C@@H](O)C2)s1 ZINC000107430368 560044956 /nfs/dbraw/zinc/04/49/56/560044956.db2.gz MLZOKRWHRPCJLX-HGKCTWBKSA-N 1 0 377.510 2.134 40 0 biogenic,in-vitro GEABRO COC(=O)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccc(OC)nc2)COC1 ZINC000096112759 560060630 /nfs/dbraw/zinc/06/06/30/560060630.db2.gz HAWKJVPXMLMZJN-HNNXBMFYSA-N 1 0 382.420 2.088 40 0 biogenic,in-vitro GEABRO CN(C)C(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297548 560208231 /nfs/dbraw/zinc/20/82/31/560208231.db2.gz CGBLHCLLRWCKHG-SUMDDJOVSA-N 1 0 385.537 2.369 40 0 biogenic,in-vitro GEABRO COc1ccccc1Nc1cc(-c2ccccn2)nc(NCCC[NH+](C)C)n1 ZINC000329000124 570211411 /nfs/dbraw/zinc/21/14/11/570211411.db2.gz JZYIEFMFFIUTTO-UHFFFAOYSA-N 1 0 378.480 2.498 40 0 GEABRO O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000585283617 570251579 /nfs/dbraw/zinc/25/15/79/570251579.db2.gz FONRVVSRJWINFB-PZJWPPBQSA-N 1 0 388.895 2.110 40 0 GEABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218094418 570325016 /nfs/dbraw/zinc/32/50/16/570325016.db2.gz JIFCIRQKSVAIOQ-HBFSDRIKSA-N 1 0 389.473 2.143 40 0 GEABRO NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 ZINC000049817638 570339752 /nfs/dbraw/zinc/33/97/52/570339752.db2.gz ACLHURZOHSRIQP-XLAORIBOSA-N 1 0 393.830 2.341 40 0 GEABRO O=C(c1ccccc1)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381912 570352762 /nfs/dbraw/zinc/35/27/62/570352762.db2.gz UZFQOOPFOSGCRT-OAQYLSRUSA-N 1 0 377.488 2.098 40 0 biogenic,in-vitro GEABRO CC(C)C[NH+]1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 ZINC000604381986 570352967 /nfs/dbraw/zinc/35/29/67/570352967.db2.gz XURKXWJJPXWNPL-GOSISDBHSA-N 1 0 377.916 2.207 40 0 biogenic,in-vitro GEABRO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(Cn3ccnc3)cn2)C1 ZINC000685939103 570397770 /nfs/dbraw/zinc/39/77/70/570397770.db2.gz IPGDYPVQUJZKFR-GBESFXJTSA-N 1 0 398.511 2.432 40 0 GEABRO OCCCOc1ccc(CN2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257343112 570487194 /nfs/dbraw/zinc/48/71/94/570487194.db2.gz ZRNCBJVXSHOXGE-LJQANCHMSA-N 1 0 384.467 2.116 40 0 GEABRO CN(c1cccc(C(=O)NCC[NH+](C)C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224272673 570506632 /nfs/dbraw/zinc/50/66/32/570506632.db2.gz QDKPNOWJAJBLHR-UHFFFAOYSA-N 1 0 395.912 2.457 40 0 GEABRO CCN(Cc1ccc(C(=O)NCC[NH+](C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000224449348 570513348 /nfs/dbraw/zinc/51/33/48/570513348.db2.gz UZBKIYGQCXOGCJ-UHFFFAOYSA-N 1 0 389.521 2.189 40 0 GEABRO Cc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)cc1 ZINC000010278749 570567572 /nfs/dbraw/zinc/56/75/72/570567572.db2.gz RJVJYWAGDJCRKK-KRWDZBQOSA-N 1 0 381.542 2.142 40 0 GEABRO COc1cccc(-c2c3c(ccn(CCC[NH+](C)C)c3=O)nc3ncnn32)c1 ZINC000040398255 570602058 /nfs/dbraw/zinc/60/20/58/570602058.db2.gz MVRPBGALNYRVNB-UHFFFAOYSA-N 1 0 378.436 2.067 40 0 GEABRO COc1ccccc1CNC(=O)C[NH+]1CCC(n2cnc3cccnc32)CC1 ZINC000012114667 570609989 /nfs/dbraw/zinc/60/99/89/570609989.db2.gz UOHKCHDUISHNPE-UHFFFAOYSA-N 1 0 379.464 2.393 40 0 GEABRO COc1ccc2c(c1)C=C(C[N@@H+]1CCc3nc(N4CCCC4)[nH]c(=O)c3C1)CO2 ZINC000012145351 570616327 /nfs/dbraw/zinc/61/63/27/570616327.db2.gz FXWIWDSCQSTQAM-UHFFFAOYSA-N 1 0 394.475 2.213 40 0 GEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000225826065 570622408 /nfs/dbraw/zinc/62/24/08/570622408.db2.gz VYZPZJISHUALDF-LJQANCHMSA-N 1 0 395.569 2.219 40 0 GEABRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000012238136 570629418 /nfs/dbraw/zinc/62/94/18/570629418.db2.gz XBOUDOBHCUPNON-UHFFFAOYSA-N 1 0 382.439 2.195 40 0 GEABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)cc1Cl ZINC000010450078 570790973 /nfs/dbraw/zinc/79/09/73/570790973.db2.gz BPWWEYFKRNNFDZ-UHFFFAOYSA-N 1 0 387.933 2.017 40 0 GEABRO O=C(CN1C(=O)CC[C@]12CCC[N@H+](Cc1nccs1)CC2)N1CCCC1 ZINC000585100694 570925355 /nfs/dbraw/zinc/92/53/55/570925355.db2.gz SYLNKHWCLAVEOK-IBGZPJMESA-N 1 0 376.526 2.113 40 0 GEABRO C[NH+](C)CCN1CCOCC2(CCN(C(=O)Cc3cccc(F)c3F)CC2)C1 ZINC000585102437 570930543 /nfs/dbraw/zinc/93/05/43/570930543.db2.gz KWQBTEZRCCMSOW-UHFFFAOYSA-N 1 0 395.494 2.010 40 0 GEABRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3C(C)(C)C3(F)F)cn2)CC1 ZINC000660350209 570952928 /nfs/dbraw/zinc/95/29/28/570952928.db2.gz KBIBEFJOBSKWGB-HNNXBMFYSA-N 1 0 381.471 2.314 40 0 GEABRO COc1ccc(CC(C)(C)[NH2+]C[C@@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1 ZINC000034892266 570989288 /nfs/dbraw/zinc/98/92/88/570989288.db2.gz COUYJEVMBVSIHV-GOSISDBHSA-N 1 0 386.448 2.376 40 0 GEABRO CN1c2ccccc2[C@H](CC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000019657372 571023891 /nfs/dbraw/zinc/02/38/91/571023891.db2.gz RVOWYKLXDWCKDB-IBGZPJMESA-N 1 0 385.508 2.098 40 0 GEABRO O=c1[nH]c2ccccc2n1C1CC[NH+](C[C@@H](O)[C@H]2COc3ccccc3O2)CC1 ZINC000001869697 212258380 /nfs/dbraw/zinc/25/83/80/212258380.db2.gz ZBPOBVZNVTZLGP-WIYYLYMNSA-N 1 0 395.459 2.167 40 0 GEABRO COc1ccc2[nH]cc([C@H](O)C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000002121617 212145154 /nfs/dbraw/zinc/14/51/54/212145154.db2.gz ZZDWHMVMVVCQRA-LRAJWGHMSA-N 1 0 379.460 2.491 40 0 GEABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)C3CCCCC3)CCN21 ZINC000253409154 212136218 /nfs/dbraw/zinc/13/62/18/212136218.db2.gz ZOUROXXITOTHRM-GGAORHGYSA-N 1 0 385.552 2.346 40 0 biogenic,in-vitro GEABRO C[NH+](C)CCNc1nc(Nc2c(F)ccc(F)c2F)cc(C(F)(F)F)n1 ZINC000329044264 212094376 /nfs/dbraw/zinc/09/43/76/212094376.db2.gz SVVLYKGCAXGPPG-UHFFFAOYSA-N 1 0 379.308 2.474 40 0 GEABRO CC(C)c1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(NC2CC2)[nH+]1 ZINC000329008563 212093505 /nfs/dbraw/zinc/09/35/05/212093505.db2.gz LTDHMEKEZHLSEF-UHFFFAOYSA-N 1 0 387.509 2.384 40 0 GEABRO COc1ccc(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)c(OC)c1 ZINC000328975991 212090849 /nfs/dbraw/zinc/09/08/49/212090849.db2.gz FMVSBVRMHZYQFP-UHFFFAOYSA-N 1 0 399.417 2.464 40 0 GEABRO O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000007597359 221002011 /nfs/dbraw/zinc/00/20/11/221002011.db2.gz IBRFLBSZPFHWTB-YESZJQIVSA-N 1 0 387.480 2.098 40 0 GEABRO CC(C)(C)c1cc2nc(C3CC[NH+](Cc4cnc(N)nc4)CC3)cc(N)n2n1 ZINC000012120872 221154508 /nfs/dbraw/zinc/15/45/08/221154508.db2.gz XWTHUXHQVZQFEZ-UHFFFAOYSA-N 1 0 380.500 2.361 40 0 GEABRO COc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc3c(c2)OCCO3)CC1 ZINC000012292092 221175437 /nfs/dbraw/zinc/17/54/37/221175437.db2.gz XDDCGVSBOGMCES-GOSISDBHSA-N 1 0 385.460 2.483 40 0 GEABRO Cn1nc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCCC2)c2ccccc2c1=O ZINC000012238158 221172042 /nfs/dbraw/zinc/17/20/42/221172042.db2.gz PNURDTWWUHQMDJ-QGZVFWFLSA-N 1 0 382.508 2.343 40 0 GEABRO COc1ccc(S(=O)(=O)N2Cc3ccccc3O[C@@H](C[NH+](C)C)C2)cc1 ZINC000012407686 221188759 /nfs/dbraw/zinc/18/87/59/221188759.db2.gz VERKTBMRAQXSPK-KRWDZBQOSA-N 1 0 376.478 2.209 40 0 GEABRO CC[NH+](CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(OC)cc1 ZINC000012602257 221214402 /nfs/dbraw/zinc/21/44/02/221214402.db2.gz BNOHPXUQPWJENJ-OKZBNKHCSA-N 1 0 395.569 2.026 40 0 biogenic,in-vitro GEABRO Cc1ccc(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013670034 221279468 /nfs/dbraw/zinc/27/94/68/221279468.db2.gz TXKSUGSFAVGYIE-UHFFFAOYSA-N 1 0 389.521 2.177 40 0 GEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000013668575 221279488 /nfs/dbraw/zinc/27/94/88/221279488.db2.gz CQWOLNVSQHJTKT-UHFFFAOYSA-N 1 0 387.933 2.098 40 0 GEABRO Clc1ncccc1-c1noc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000013996433 221296117 /nfs/dbraw/zinc/29/61/17/221296117.db2.gz QNQVNKPPBHQDTQ-AWEZNQCLSA-N 1 0 377.876 2.329 40 0 GEABRO CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)cc1 ZINC000019022330 221395600 /nfs/dbraw/zinc/39/56/00/221395600.db2.gz PVTKGEXDASYZSI-KRWDZBQOSA-N 1 0 393.491 2.443 40 0 GEABRO C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000019079958 221396468 /nfs/dbraw/zinc/39/64/68/221396468.db2.gz HPILVOPTNAWWBS-HNNXBMFYSA-N 1 0 383.448 2.358 40 0 GEABRO Cc1cc2cc(C(=O)NCCn3nc([C@H]4CC[NH2+]C4)c4nccnc43)ccc2o1 ZINC000019126489 221397956 /nfs/dbraw/zinc/39/79/56/221397956.db2.gz SHXXVWYZUFNAQJ-HNNXBMFYSA-N 1 0 390.447 2.388 40 0 GEABRO COc1ccccc1CN(C(=O)c1ccc(C)n(C)c1=O)C1CC[NH+](C)CC1 ZINC000019131550 221398052 /nfs/dbraw/zinc/39/80/52/221398052.db2.gz TWWLGZBENYEIHR-UHFFFAOYSA-N 1 0 383.492 2.439 40 0 GEABRO O=C(CCn1ncc2ccccc21)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019376598 221412994 /nfs/dbraw/zinc/41/29/94/221412994.db2.gz BWKDITRCHPBENG-LJQANCHMSA-N 1 0 376.464 2.226 40 0 GEABRO COC[C@H](C)NC(=O)CN1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019456646 221414821 /nfs/dbraw/zinc/41/48/21/221414821.db2.gz DFUXQPJSDNNILB-RMYQPGKMSA-N 1 0 377.504 2.277 40 0 GEABRO Cc1cn(CC(=O)N2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)nn1 ZINC000019238768 221403593 /nfs/dbraw/zinc/40/35/93/221403593.db2.gz RTCDJIHSCGEUOY-UHFFFAOYSA-N 1 0 383.496 2.251 40 0 GEABRO CNc1nc([C@H]2CCC[NH2+]C2)nc2c1CN(CC(=O)Nc1ccc(F)cc1)CC2 ZINC000019711454 221445026 /nfs/dbraw/zinc/44/50/26/221445026.db2.gz RIGMIILCUVPWNM-AWEZNQCLSA-N 1 0 398.486 2.121 40 0 GEABRO CN(C)c1cccc(C(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3cccnc32)c1 ZINC000019585076 221432040 /nfs/dbraw/zinc/43/20/40/221432040.db2.gz VOYGJRJKXUOWQV-MRXNPFEDSA-N 1 0 378.480 2.004 40 0 GEABRO Cc1ccc(NC(=[NH2+])NC2=N[C@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N2)cc1 ZINC000020799157 221512766 /nfs/dbraw/zinc/51/27/66/221512766.db2.gz ANPJNUXPALHAFG-OAHLLOKOSA-N 1 0 398.854 2.468 40 0 GEABRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)CC1 ZINC000096589050 136187313 /nfs/dbraw/zinc/18/73/13/136187313.db2.gz KUMNWGHPVKZBQV-UHFFFAOYSA-N 1 0 388.493 2.062 40 0 GEABRO O=C(NCCC[NH+]1CCCCC1)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000224388565 136206989 /nfs/dbraw/zinc/20/69/89/136206989.db2.gz RQWCSXMLWMGMDD-UHFFFAOYSA-N 1 0 379.526 2.222 40 0 GEABRO Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1N1CCCCS1(=O)=O ZINC000224397252 136207037 /nfs/dbraw/zinc/20/70/37/136207037.db2.gz XLNNVFNRFUDKQL-UHFFFAOYSA-N 1 0 379.526 2.141 40 0 GEABRO COc1ccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000035313723 221817362 /nfs/dbraw/zinc/81/73/62/221817362.db2.gz JDVQTOGOVCIMJW-UHFFFAOYSA-N 1 0 397.475 2.423 40 0 GEABRO O=C(C[NH+]1CCCC1)N1CCN(c2ccccc2)C[C@@H](Cc2cnccn2)C1 ZINC000072353569 222237668 /nfs/dbraw/zinc/23/76/68/222237668.db2.gz SSNUJUJYOBVYGH-LJQANCHMSA-N 1 0 379.508 2.080 40 0 GEABRO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC000072358558 222238963 /nfs/dbraw/zinc/23/89/63/222238963.db2.gz IEMFMPQBOAMBJY-SFHVURJKSA-N 1 0 393.491 2.044 40 0 GEABRO O=C(C[N@H+]1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1)N1CCOCC1 ZINC000072358525 222239790 /nfs/dbraw/zinc/23/97/90/222239790.db2.gz GORNCEVSIMNSJE-QGZVFWFLSA-N 1 0 384.455 2.321 40 0 GEABRO O=C(Cc1c[nH]c2ccccc12)N1CCc2nnc([C@@H]3CCCC[NH2+]3)n2CC1 ZINC000072372836 222243044 /nfs/dbraw/zinc/24/30/44/222243044.db2.gz SOOLIWGJMFMSDD-SFHVURJKSA-N 1 0 378.480 2.201 40 0 GEABRO c1ccc(OC[C@@H]2CCCO2)c(CN2CCn3c(nnc3C3CC[NH2+]CC3)C2)c1 ZINC000072372113 222243102 /nfs/dbraw/zinc/24/31/02/222243102.db2.gz JCNUCFGCZLUNMP-IBGZPJMESA-N 1 0 397.523 2.319 40 0 GEABRO O=C(c1ccc(N2CCCC2)cc1)N1CCc2nnc([C@@H]3CCCC[NH2+]3)n2CC1 ZINC000072372830 222243227 /nfs/dbraw/zinc/24/32/27/222243227.db2.gz RANAUXCHACWPAV-IBGZPJMESA-N 1 0 394.523 2.391 40 0 GEABRO Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCC[N@H+](CC4CC4)C3)nc2n(C)c1=O ZINC000072374579 222243537 /nfs/dbraw/zinc/24/35/37/222243537.db2.gz VZQPBZKSGJJJTG-GFCCVEGCSA-N 1 0 396.413 2.240 40 0 GEABRO C[NH+]1CCC(C(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)CC1 ZINC000072380643 222244801 /nfs/dbraw/zinc/24/48/01/222244801.db2.gz GNGVKMWEXQURNU-IBGZPJMESA-N 1 0 387.528 2.478 40 0 GEABRO CCCc1cc(C(=O)NCCn2nc([C@@H]3CC[N@H+](C)C3)c3cccnc32)no1 ZINC000072391594 222248283 /nfs/dbraw/zinc/24/82/83/222248283.db2.gz ZNMDLAURTFRPRN-CQSZACIVSA-N 1 0 382.468 2.221 40 0 GEABRO Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)on1 ZINC000072396456 222251465 /nfs/dbraw/zinc/25/14/65/222251465.db2.gz ZNXJETHTHWGBLO-UHFFFAOYSA-N 1 0 399.495 2.171 40 0 GEABRO C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccccn1)CC3 ZINC000096036310 222372244 /nfs/dbraw/zinc/37/22/44/222372244.db2.gz AQTSANKNLZDTGC-WMZHIEFXSA-N 1 0 396.535 2.268 40 0 GEABRO Cc1cc(C(=O)N2CC[C@H]3[N@H+](C)CC[C@@]3(C(=O)Nc3ccccc3)CC2)[nH]n1 ZINC000096145279 222389055 /nfs/dbraw/zinc/38/90/55/222389055.db2.gz ADJPQAKVAFKIGC-WIYYLYMNSA-N 1 0 381.480 2.283 40 0 GEABRO C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CCN(C(=O)NCc1cccnc1)CC2 ZINC000096220874 222398046 /nfs/dbraw/zinc/39/80/46/222398046.db2.gz BFUXETVADCRVHZ-HXUWFJFHSA-N 1 0 395.507 2.442 40 0 GEABRO C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013670371 526047575 /nfs/dbraw/zinc/04/75/75/526047575.db2.gz BDWCPPIHYVMRKE-MRXNPFEDSA-N 1 0 399.532 2.218 40 0 GEABRO CC(C)C[N@@H+]1CCN2[C@H](CN(C(=O)c3ccc(Cl)cc3)C[C@@]2(C)CO)C1 ZINC000514290238 560030059 /nfs/dbraw/zinc/03/00/59/560030059.db2.gz VKHXFPWMGAFDKH-ICSRJNTNSA-N 1 0 379.932 2.189 40 0 biogenic,in-vitro GEABRO O[C@@H]1C[C@@H]2C[N@H+](CCc3ccccc3)CC3(CN(Cc4ccccc4F)C3)N2C1 ZINC000514289862 560031138 /nfs/dbraw/zinc/03/11/38/560031138.db2.gz PJYCKZNTIHZKSB-FGZHOGPDSA-N 1 0 395.522 2.374 40 0 biogenic,in-vitro GEABRO CCN(CC)Cc1nc(C2(O)CC[NH+](C3CCN(C(C)=O)CC3)CC2)cs1 ZINC000225462562 560043363 /nfs/dbraw/zinc/04/33/63/560043363.db2.gz AMKZTQIXFDQPEX-UHFFFAOYSA-N 1 0 394.585 2.279 40 0 biogenic,in-vitro GEABRO Cc1noc(C)c1C[N@@H+]1CCc2cc(C(=O)NC(C)C)c(N(C)C)nc2CC1 ZINC000096260333 570225439 /nfs/dbraw/zinc/22/54/39/570225439.db2.gz FLQDMWOPZRYBHN-UHFFFAOYSA-N 1 0 385.512 2.491 40 0 GEABRO CC(C)N1CC[N@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCC3CC3)cn21 ZINC000096268079 570227527 /nfs/dbraw/zinc/22/75/27/570227527.db2.gz KRNPGZWSYHJDSK-LJQANCHMSA-N 1 0 396.539 2.346 40 0 GEABRO Cc1ccccc1CC[NH2+]C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585283829 570251660 /nfs/dbraw/zinc/25/16/60/570251660.db2.gz IAHUOTHGLHMVGY-UPVQGACJSA-N 1 0 396.531 2.084 40 0 GEABRO COCC(=O)N1CC[N@@H+](C2CCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284260 570253238 /nfs/dbraw/zinc/25/32/38/570253238.db2.gz WILSVOGXEAMHLO-QFIPXVFZSA-N 1 0 390.524 2.147 40 0 GEABRO CC(C)[N@@H+]1C[C@@H]2COCCN2C2(CN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000604381915 570352638 /nfs/dbraw/zinc/35/26/38/570352638.db2.gz VBNGJHMAQGBEFE-QGZVFWFLSA-N 1 0 397.441 2.325 40 0 biogenic,in-vitro GEABRO C[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@H](O)c1ccccc1 ZINC000257264601 570488087 /nfs/dbraw/zinc/48/80/87/570488087.db2.gz LVFLXJYMROIARC-NRFANRHFSA-N 1 0 384.476 2.090 40 0 GEABRO CCN(c1ccc(C(=O)NCC[NH+](C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000224362340 570510921 /nfs/dbraw/zinc/51/09/21/570510921.db2.gz FJHYMLZGJWEKOK-UHFFFAOYSA-N 1 0 375.494 2.193 40 0 GEABRO Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCC[NH+](C)C ZINC000010333764 570569301 /nfs/dbraw/zinc/56/93/01/570569301.db2.gz WNHUNKWZBDZQLN-UHFFFAOYSA-N 1 0 375.494 2.477 40 0 GEABRO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225507155 570581559 /nfs/dbraw/zinc/58/15/59/570581559.db2.gz DQMWNPOKPPNXBA-SFHVURJKSA-N 1 0 393.553 2.080 40 0 GEABRO COc1nc(C)c(CC(=O)N2CCCC[C@H]2C[NH+]2CCCCC2)c(OC)n1 ZINC000012360876 570645517 /nfs/dbraw/zinc/64/55/17/570645517.db2.gz TUGMCUMFKINOQF-INIZCTEOSA-N 1 0 376.501 2.212 40 0 GEABRO C[N@@H+]1CCN(C(=O)c2ccccc2-c2ccccc2)C[C@@](O)(Cn2cccn2)C1 ZINC000257216539 570762017 /nfs/dbraw/zinc/76/20/17/570762017.db2.gz CUYQSOCBFCGTFN-HSZRJFAPSA-N 1 0 390.487 2.369 40 0 GEABRO CC(=O)NCC[C@@H]1CCCN(C(=O)c2ccccc2-n2cc(C[NH+](C)C)cn2)C1 ZINC000257252723 570770618 /nfs/dbraw/zinc/77/06/18/570770618.db2.gz JVXCGDTVMDIXHC-SFHVURJKSA-N 1 0 397.523 2.312 40 0 GEABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)c3ncccc3O)CC2)cc1 ZINC000257257820 570771581 /nfs/dbraw/zinc/77/15/81/570771581.db2.gz KRFGYKYXIXEJBH-JOCHJYFZSA-N 1 0 399.491 2.285 40 0 GEABRO O=C(CC1CC1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257339688 570783866 /nfs/dbraw/zinc/78/38/66/570783866.db2.gz ZCTPJIVMQISHQI-QNWVGRARSA-N 1 0 386.536 2.476 40 0 GEABRO Cc1cc(C)cc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)c1 ZINC000010540524 570791386 /nfs/dbraw/zinc/79/13/86/570791386.db2.gz OBQRLVJNPABBRH-UHFFFAOYSA-N 1 0 395.569 2.308 40 0 GEABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)c2ccc(OC)c(OC)c2)CC1 ZINC000019527980 570928206 /nfs/dbraw/zinc/92/82/06/570928206.db2.gz RWPDRRSKJTUEDJ-SFHVURJKSA-N 1 0 388.516 2.172 40 0 GEABRO C[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)C3CC(F)(F)C3)C2)C1 ZINC000585102833 570930996 /nfs/dbraw/zinc/93/09/96/570930996.db2.gz JWPACGMGRLTTRR-QFBILLFUSA-N 1 0 379.451 2.424 40 0 GEABRO Cc1nc(C(=O)N2CCC3(CO[C@@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)c[nH]1 ZINC000585104485 570932967 /nfs/dbraw/zinc/93/29/67/570932967.db2.gz PDQRRZGBTDXCPM-GOSISDBHSA-N 1 0 383.496 2.256 40 0 GEABRO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC(C)C)C[C@@H]23)cc1F ZINC000585106018 570935776 /nfs/dbraw/zinc/93/57/76/570935776.db2.gz FBABUYBPYVZTBD-MSOLQXFVSA-N 1 0 387.499 2.443 40 0 GEABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2csc(C)n2)CC1 ZINC000585106299 570936196 /nfs/dbraw/zinc/93/61/96/570936196.db2.gz PFJWKGGDFKKOGO-IMJJTQAJSA-N 1 0 390.553 2.293 40 0 GEABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccncc3)C[C@H]1C2 ZINC000306130206 570939266 /nfs/dbraw/zinc/93/92/66/570939266.db2.gz IZDIFQLYPFJNKJ-HZPDHXFCSA-N 1 0 392.438 2.369 40 0 GEABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccoc3)C[C@@H]1C2 ZINC000306131796 570939936 /nfs/dbraw/zinc/93/99/36/570939936.db2.gz KPUDBCDXILSOME-ZWKOTPCHSA-N 1 0 377.448 2.105 40 0 GEABRO CN(C)C(=O)NC[C@@H]1N(C(=O)Cc2ccsc2)CCCC12CC[NH+](C)CC2 ZINC000306141048 570945321 /nfs/dbraw/zinc/94/53/21/570945321.db2.gz VKCHGJOPTOEYJS-KRWDZBQOSA-N 1 0 392.569 2.265 40 0 GEABRO O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000019369764 570980463 /nfs/dbraw/zinc/98/04/63/570980463.db2.gz SHCQSNZJMYWVJL-QHCPKHFHSA-N 1 0 382.504 2.491 40 0 GEABRO O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2OCCN2CCOCC2)C1 ZINC000019369782 570980679 /nfs/dbraw/zinc/98/06/79/570980679.db2.gz VJKYPBBVABWIPZ-QHCPKHFHSA-N 1 0 382.504 2.491 40 0 GEABRO C[C@@H](C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C)CC3)C1)c1ccccc1 ZINC000019459190 570988097 /nfs/dbraw/zinc/98/80/97/570988097.db2.gz BLEYJRJYYUUGSF-NVXWUHKLSA-N 1 0 380.492 2.268 40 0 GEABRO C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000019497350 570989990 /nfs/dbraw/zinc/98/99/90/570989990.db2.gz UIUMOVFVZWOTHX-IYBDPMFKSA-N 1 0 383.496 2.434 40 0 GEABRO CC1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019496715 570989994 /nfs/dbraw/zinc/98/99/94/570989994.db2.gz NKBKIGBFWGISGV-GOSISDBHSA-N 1 0 386.540 2.408 40 0 GEABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cnc(N2CCOCC2)nc1)Cc1ccccn1 ZINC000019527175 570997592 /nfs/dbraw/zinc/99/75/92/570997592.db2.gz GACUGYVRFJZYCN-OAQYLSRUSA-N 1 0 396.539 2.195 40 0 GEABRO COc1ccc(OC)c(C(=O)N2CC[C@H](c3nn(CC[NH3+])c4ncccc34)C2)c1 ZINC000019551004 571000846 /nfs/dbraw/zinc/00/08/46/571000846.db2.gz LGPRLJPOPCURTJ-AWEZNQCLSA-N 1 0 395.463 2.037 40 0 GEABRO COc1ccc(C(=O)N2CC[C@H](c3nn(CC[NH3+])c4ncccc34)C2)c(OC)c1 ZINC000019551864 571001377 /nfs/dbraw/zinc/00/13/77/571001377.db2.gz WDZTXIFLTBFWAV-AWEZNQCLSA-N 1 0 395.463 2.037 40 0 GEABRO Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c(C)c1C ZINC000019556183 571003441 /nfs/dbraw/zinc/00/34/41/571003441.db2.gz VVMQTVLLXWFMFN-CXAGYDPISA-N 1 0 382.512 2.211 40 0 GEABRO Cc1nn(CCC(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)c(C)c1C ZINC000019557063 571003924 /nfs/dbraw/zinc/00/39/24/571003924.db2.gz OKAIIMOMAZSZNJ-UHFFFAOYSA-N 1 0 382.512 2.040 40 0 GEABRO Cc1ncsc1C(=O)N1CC[C@@H](c2nn(CC[NH+](C)C)c3ncccc23)C1 ZINC000019562010 571005937 /nfs/dbraw/zinc/00/59/37/571005937.db2.gz WQHDCOQNAKOFEA-CQSZACIVSA-N 1 0 384.509 2.388 40 0 GEABRO COc1cccc2c1OC[C@@H](C(=O)N1CCc3nc([C@H]4CCC[NH2+]4)ncc3C1)C2 ZINC000019568319 571009202 /nfs/dbraw/zinc/00/92/02/571009202.db2.gz PSUXWZFXWIHUBO-MAUKXSAKSA-N 1 0 394.475 2.046 40 0 GEABRO COc1ccc(CC(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3cccnc32)cc1C ZINC000019571260 571010271 /nfs/dbraw/zinc/01/02/71/571010271.db2.gz VNALPQTYGYLWKC-KRWDZBQOSA-N 1 0 393.491 2.184 40 0 GEABRO Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@@H]4CC[N@H+](C)C4)ncc3C2)n1 ZINC000019572978 571010550 /nfs/dbraw/zinc/01/05/50/571010550.db2.gz KBAKDEUPGAAYMF-IAGOWNOFSA-N 1 0 382.512 2.245 40 0 GEABRO COCCNC(=O)Cn1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c2ccccc21 ZINC000019575820 571011827 /nfs/dbraw/zinc/01/18/27/571011827.db2.gz MDDYXQOMCCVBJK-HKUYNNGSSA-N 1 0 384.524 2.072 40 0 GEABRO COC(=O)c1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2Cc2ccccc2)cc1 ZINC000019592542 571019794 /nfs/dbraw/zinc/01/97/94/571019794.db2.gz ARDRXFMJGSYVAI-BHIFYINESA-N 1 0 380.488 2.335 40 0 GEABRO Cc1c2cc(Cl)ccc2n(C)c1C(=O)NCCC[NH+]1CCC(C(N)=O)CC1 ZINC000019659558 571024808 /nfs/dbraw/zinc/02/48/08/571024808.db2.gz CMZGEMCKKCPNOC-UHFFFAOYSA-N 1 0 390.915 2.457 40 0 GEABRO CC(C)[N@@H+]1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 ZINC000019699656 571031028 /nfs/dbraw/zinc/03/10/28/571031028.db2.gz HWARLJLSBONHAH-GOSISDBHSA-N 1 0 398.507 2.086 40 0 GEABRO CCC(CC)C(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](C(C)C)CC3)C2=O)C1 ZINC000019699798 571031069 /nfs/dbraw/zinc/03/10/69/571031069.db2.gz ULZLBMMSHMTLAO-QGZVFWFLSA-N 1 0 392.544 2.208 40 0 GEABRO C[NH+]1CCC(c2nnc3n2CCN(C(=O)Cc2c[nH]c4ccccc24)CC3)CC1 ZINC000019708908 571033151 /nfs/dbraw/zinc/03/31/51/571033151.db2.gz LSGRKGXZUUCDAI-UHFFFAOYSA-N 1 0 392.507 2.196 40 0 GEABRO CCOc1ccc(CC(=O)N2CCc3nnc([C@@H]4CCC[N@H+](C)C4)n3CC2)cc1 ZINC000019709502 571034049 /nfs/dbraw/zinc/03/40/49/571034049.db2.gz GJFHQCKADBAJOJ-GOSISDBHSA-N 1 0 397.523 2.113 40 0 GEABRO COc1ccccc1CCC(=O)N1CCc2nnc([C@H]3CCC[N@H+](C)C3)n2CC1 ZINC000019709477 571034101 /nfs/dbraw/zinc/03/41/01/571034101.db2.gz QXJGVEHNRHCOMY-SFHVURJKSA-N 1 0 397.523 2.113 40 0 GEABRO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 ZINC000019716135 571037867 /nfs/dbraw/zinc/03/78/67/571037867.db2.gz XCYGDAZTIKELAW-HNNXBMFYSA-N 1 0 394.479 2.143 40 0 GEABRO COCC[NH+]1CCC(c2cccc(N3CC4(CCOCC4)OC3=O)n2)CC1 ZINC000257341572 222779742 /nfs/dbraw/zinc/77/97/42/222779742.db2.gz ZKXYUZYTUDELHD-UHFFFAOYSA-N 1 0 375.469 2.413 40 0 GEABRO Cc1cc(N2CCc3ccc(Br)cc3C2)nc(NCCCO)[nH+]1 ZINC000328984075 532801260 /nfs/dbraw/zinc/80/12/60/532801260.db2.gz HKJWSEKQXCFVMZ-UHFFFAOYSA-N 1 0 377.286 2.905 40 0 GEABRO O=C(NCC[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)[C@H]1CCCO1 ZINC000012326473 221182694 /nfs/dbraw/zinc/18/26/94/221182694.db2.gz QIPCHWHEBKURJK-MRXNPFEDSA-N 1 0 386.414 2.284 40 0 GEABRO Cc1ccc(C)c(N([C@@H](C)C(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)c1 ZINC000013667851 221279556 /nfs/dbraw/zinc/27/95/56/221279556.db2.gz RTWZJJKUDSDPBR-SFHVURJKSA-N 1 0 395.569 2.450 40 0 GEABRO COc1ccc(C)cc1CC(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019133084 221399350 /nfs/dbraw/zinc/39/93/50/221399350.db2.gz PHEAPUVRCHVVIZ-INIZCTEOSA-N 1 0 380.492 2.388 40 0 GEABRO C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019078908 221395472 /nfs/dbraw/zinc/39/54/72/221395472.db2.gz DVTIFNKDNGMKBA-QZTJIDSGSA-N 1 0 398.511 2.297 40 0 GEABRO C[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019079389 221395702 /nfs/dbraw/zinc/39/57/02/221395702.db2.gz YMHBVCVUWNOPCP-LSDHHAIUSA-N 1 0 384.455 2.435 40 0 GEABRO CC(C)(C(=O)N1CC[C@H](c2nn(CC[NH3+])c3nccnc23)C1)c1ccc(F)cc1 ZINC000019085036 221396274 /nfs/dbraw/zinc/39/62/74/221396274.db2.gz CSFGCAIMHSJWEB-AWEZNQCLSA-N 1 0 396.470 2.218 40 0 GEABRO C[C@H](NC(=O)C(F)F)C(=O)N1Cc2ccccc2O[C@]2(CCC[N@H+](C)CC2)C1 ZINC000019079589 221396886 /nfs/dbraw/zinc/39/68/86/221396886.db2.gz UIEVNTTXENTBAS-XOBRGWDASA-N 1 0 395.450 2.032 40 0 GEABRO C[NH+](C)CCn1nc([C@@H]2CCN(C(=O)COc3ccccc3)C2)c2cccnc21 ZINC000019583210 221430987 /nfs/dbraw/zinc/43/09/87/221430987.db2.gz UMGZKEYIXUNDAP-QGZVFWFLSA-N 1 0 393.491 2.388 40 0 GEABRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(N4CCOCC4)nc23)c1 ZINC000096244164 136185726 /nfs/dbraw/zinc/18/57/26/136185726.db2.gz OFSNPSVGYIVHIR-JOCHJYFZSA-N 1 0 380.492 2.296 40 0 GEABRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334312 222230070 /nfs/dbraw/zinc/23/00/70/222230070.db2.gz NLZCQIYMRDHYNA-AVRDEDQJSA-N 1 0 380.444 2.243 40 0 GEABRO CN(C)c1ncc(CN2CCC3(CC2)Nc2ccccc2C2=[NH+]CCCN23)cn1 ZINC000072342664 222231089 /nfs/dbraw/zinc/23/10/89/222231089.db2.gz HVPFVFPCQFDAQP-UHFFFAOYSA-N 1 0 391.523 2.413 40 0 GEABRO O=C(C[NH+]1CCCC1)N1CCN(c2ccccc2)C[C@H](Cc2cnccn2)C1 ZINC000072353570 222238411 /nfs/dbraw/zinc/23/84/11/222238411.db2.gz SSNUJUJYOBVYGH-IBGZPJMESA-N 1 0 379.508 2.080 40 0 GEABRO O=C(C[N@H+]1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1)N1CCOCC1 ZINC000072358526 222239933 /nfs/dbraw/zinc/23/99/33/222239933.db2.gz GORNCEVSIMNSJE-KRWDZBQOSA-N 1 0 384.455 2.321 40 0 GEABRO O=C(c1n[nH]c2c1CCCCCC2)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000072390819 222247533 /nfs/dbraw/zinc/24/75/33/222247533.db2.gz HLWMNBBKUMGYPE-GOSISDBHSA-N 1 0 380.496 2.482 40 0 GEABRO CC(=O)N1CC[C@@H](c2nn(CC[NH2+]Cc3cccc(F)c3)c3nccnc23)C1 ZINC000072391657 222248475 /nfs/dbraw/zinc/24/84/75/222248475.db2.gz XPLOQGVIZXQGJD-MRXNPFEDSA-N 1 0 382.443 2.091 40 0 GEABRO CC(=O)N1CC[C@H](c2nn(CC[NH2+]Cc3cccc(F)c3)c3nccnc23)C1 ZINC000072391656 222249098 /nfs/dbraw/zinc/24/90/98/222249098.db2.gz XPLOQGVIZXQGJD-INIZCTEOSA-N 1 0 382.443 2.091 40 0 GEABRO CCOc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cnc(C)nc4)C[C@H]32)c(OCC)n1 ZINC000072392655 222249885 /nfs/dbraw/zinc/24/98/85/222249885.db2.gz YZYLYQLCESXVGU-YRISNDGFSA-N 1 0 399.495 2.102 40 0 GEABRO Cc1cc(C(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)on1 ZINC000072394958 222251438 /nfs/dbraw/zinc/25/14/38/222251438.db2.gz FXPLDOWTWZKNIA-MOPGFXCFSA-N 1 0 398.507 2.412 40 0 GEABRO C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3OCCc4ccccc43)ncc2C1 ZINC000072397256 222253564 /nfs/dbraw/zinc/25/35/64/222253564.db2.gz BJWIHFFJQSCGEK-PMACEKPBSA-N 1 0 378.476 2.442 40 0 GEABRO O=C(c1ccc2ncccc2c1)N1CCO[C@@]2(C1)COCC[N@H+](CC1CC1)C2 ZINC000096076626 222376051 /nfs/dbraw/zinc/37/60/51/222376051.db2.gz CYCRXHAWAUBNCH-QFIPXVFZSA-N 1 0 381.476 2.188 40 0 GEABRO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccco1)CCC2 ZINC000096056139 222376074 /nfs/dbraw/zinc/37/60/74/222376074.db2.gz COHLOXXGUKULSX-AVRDEDQJSA-N 1 0 395.507 2.314 40 0 GEABRO CN1CC[NH+](C[C@@H]2CO[C@]3(C2)CCCN(C(=O)c2cc4ccccc4[nH]2)C3)CC1 ZINC000096075608 222377056 /nfs/dbraw/zinc/37/70/56/222377056.db2.gz VVJSIFHCCMJGCB-JPYJTQIMSA-N 1 0 396.535 2.427 40 0 GEABRO CCS(=O)(=O)N[C@H]1CC2(CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc21 ZINC000096079052 222377114 /nfs/dbraw/zinc/37/71/14/222377114.db2.gz HNBFXJPBZPERAW-LPHOPBHVSA-N 1 0 378.538 2.441 40 0 GEABRO COCCn1cnc(-c2nc(C(=O)N3CCC([NH+](C)C)CC3)c3ccccn32)c1 ZINC000096155022 222393139 /nfs/dbraw/zinc/39/31/39/222393139.db2.gz ZWVZMUZTEPBFBI-UHFFFAOYSA-N 1 0 396.495 2.010 40 0 GEABRO COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]Cc3ccc(OC)cc3)O2)no1 ZINC000077262723 560046528 /nfs/dbraw/zinc/04/65/28/560046528.db2.gz UQTHJSPUBPBGGS-YSIASYRMSA-N 1 0 376.453 2.070 40 0 biogenic,in-vitro GEABRO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4C4CCC4)n3)ccn2)CC1 ZINC000049155051 560084096 /nfs/dbraw/zinc/08/40/96/560084096.db2.gz OFCGWMOWSKHMND-SFHVURJKSA-N 1 0 396.495 2.490 40 0 biogenic,in-vitro GEABRO COc1ccccc1-c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]CC(C)C)n1 ZINC000005433965 560202040 /nfs/dbraw/zinc/20/20/40/560202040.db2.gz CKSIGIJFGPSVJW-RAUXBKROSA-N 1 0 384.480 2.345 40 0 biogenic,in-vitro GEABRO Cc1cc(=O)[nH]c(NC(=O)C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000019719783 570210937 /nfs/dbraw/zinc/21/09/37/570210937.db2.gz YWHWOLQXVHNNSG-CQSZACIVSA-N 1 0 380.452 2.260 40 0 GEABRO O=C(CC1CC[NH+](Cc2ccccn2)CC1)NC1CCN(C(=O)C2CC2)CC1 ZINC000019748592 570214276 /nfs/dbraw/zinc/21/42/76/570214276.db2.gz QLTCNDREEJVOEH-UHFFFAOYSA-N 1 0 384.524 2.201 40 0 GEABRO Cn1cc(C[NH+]2CCC(Cc3nn(C)cc3C(=O)NC3CCCC3)CC2)cn1 ZINC000019754963 570216312 /nfs/dbraw/zinc/21/63/12/570216312.db2.gz CVDLHBOREXJAES-UHFFFAOYSA-N 1 0 384.528 2.281 40 0 GEABRO Cc1nc([C@H]2CCCCN2C(=O)C[NH+](C)C)ncc1C(=O)NCc1ccccc1 ZINC000019764477 570217164 /nfs/dbraw/zinc/21/71/64/570217164.db2.gz FVQRFXXJEPBYTJ-LJQANCHMSA-N 1 0 395.507 2.330 40 0 GEABRO O=C(NCC1CC1)[C@@H]1Cn2ccnc2C2(CC[NH+](CCc3ccccc3)CC2)O1 ZINC000096243606 570223250 /nfs/dbraw/zinc/22/32/50/570223250.db2.gz IWOVJYXFXMASOE-FQEVSTJZSA-N 1 0 394.519 2.342 40 0 GEABRO COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCCC2)c1 ZINC000585262420 570230587 /nfs/dbraw/zinc/23/05/87/570230587.db2.gz XHEVRVZSDVDKGZ-CZYKHXBRSA-N 1 0 396.487 2.470 40 0 GEABRO CC(=O)N1CCC([N@@H+]2CCOC[C@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585284145 570251597 /nfs/dbraw/zinc/25/15/97/570251597.db2.gz VHRMAVXGTSEDOL-QFIPXVFZSA-N 1 0 390.524 2.065 40 0 GEABRO Cc1ccc(C[NH2+]C[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)cc1 ZINC000585286087 570255739 /nfs/dbraw/zinc/25/57/39/570255739.db2.gz VIBYTYKREJXPJB-JTHBVZDNSA-N 1 0 382.504 2.042 40 0 GEABRO CN1CC[C@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccsc2)CC3)C1=O ZINC000097952855 570261611 /nfs/dbraw/zinc/26/16/11/570261611.db2.gz OKUWEWOASNCFTM-NRFANRHFSA-N 1 0 397.548 2.489 40 0 GEABRO Cc1ccc(NC(=O)C[C@@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)cc1Cl ZINC000020799066 570281082 /nfs/dbraw/zinc/28/10/82/570281082.db2.gz RDRAAAGLJGPJLF-HNNXBMFYSA-N 1 0 398.854 2.468 40 0 GEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(O)c1 ZINC000020801148 570281419 /nfs/dbraw/zinc/28/14/19/570281419.db2.gz BWHAEMPMYDVHAP-RTBURBONSA-N 1 0 393.443 2.157 40 0 GEABRO COc1ccccc1C[NH+]1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108531844 570313037 /nfs/dbraw/zinc/31/30/37/570313037.db2.gz GTKRCJYIQQQWJJ-KRWDZBQOSA-N 1 0 394.537 2.291 40 0 GEABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218604985 570337944 /nfs/dbraw/zinc/33/79/44/570337944.db2.gz SNBMLXNUQAEEEY-AOIWGVFYSA-N 1 0 377.437 2.274 40 0 GEABRO COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](C4CCCCC4)C3)C2)cc1 ZINC000604381260 570352393 /nfs/dbraw/zinc/35/23/93/570352393.db2.gz GLPNBCWKJBYZKW-HXUWFJFHSA-N 1 0 399.535 2.239 40 0 biogenic,in-vitro GEABRO CC(C)(C)CC[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382380 570353297 /nfs/dbraw/zinc/35/32/97/570353297.db2.gz PSWMFJGSRFRQBZ-UAFMIMERSA-N 1 0 384.524 2.465 40 0 biogenic,in-vitro GEABRO OCCCOc1ccc(CN2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257343111 570486932 /nfs/dbraw/zinc/48/69/32/570486932.db2.gz ZRNCBJVXSHOXGE-IBGZPJMESA-N 1 0 384.467 2.116 40 0 GEABRO CCOCCOc1ccc(C[NH2+]C[C@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000257305140 570488668 /nfs/dbraw/zinc/48/86/68/570488668.db2.gz SOPMSXBMKVZSFE-OAQYLSRUSA-N 1 0 386.496 2.013 40 0 GEABRO CCn1c2ccc(S(=O)(=O)NCCC[NH+]3CCC(C)CC3)cc2sc1=O ZINC000225693026 570603939 /nfs/dbraw/zinc/60/39/39/570603939.db2.gz PHWYHRPKSFCTDI-UHFFFAOYSA-N 1 0 397.566 2.483 40 0 GEABRO O=C(NCc1ccccc1)NC1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000004981840 570655901 /nfs/dbraw/zinc/65/59/01/570655901.db2.gz QWDYNIRLFVJXII-LJQANCHMSA-N 1 0 384.524 2.495 40 0 GEABRO O=S(=O)(NC[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)O1)c1ccccc1 ZINC000247340049 570715047 /nfs/dbraw/zinc/71/50/47/570715047.db2.gz RZWOFDQRKRBHIT-SFHVURJKSA-N 1 0 387.505 2.184 40 0 GEABRO COc1cccc(N2C[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2=O)c1 ZINC000230204297 570741894 /nfs/dbraw/zinc/74/18/94/570741894.db2.gz VCJAEHZANBYVDX-ZWOKBUDYSA-N 1 0 385.508 2.429 40 0 GEABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)CC3CC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257232980 570765776 /nfs/dbraw/zinc/76/57/76/570765776.db2.gz GNFBIFATVMAHLY-FIXSFTCYSA-N 1 0 399.579 2.392 40 0 GEABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)c3cncc(O)c3)CC2)cc1 ZINC000257248728 570770094 /nfs/dbraw/zinc/77/00/94/570770094.db2.gz JEXOEGXPAKWQFF-QFIPXVFZSA-N 1 0 399.491 2.285 40 0 GEABRO Cc1ccc(C)c(N([C@H](C)C(=O)NCC[NH+]2CCCCCC2)S(C)(=O)=O)c1 ZINC000013677384 570772070 /nfs/dbraw/zinc/77/20/70/570772070.db2.gz PTWIXGZDLLUCOV-GOSISDBHSA-N 1 0 395.569 2.450 40 0 GEABRO C[NH+](C)[C@H]1CC2(CCN(C(=O)c3cc4ccc(F)cc4[nH]3)CC2)OC[C@]1(C)O ZINC000257263303 570772141 /nfs/dbraw/zinc/77/21/41/570772141.db2.gz LPEYFBAWHBRCBY-ICSRJNTNSA-N 1 0 389.471 2.383 40 0 GEABRO CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000257274513 570773945 /nfs/dbraw/zinc/77/39/45/570773945.db2.gz NLJFLPRCCYXJFU-SFHVURJKSA-N 1 0 380.492 2.456 40 0 GEABRO O=C(c1cccc(=O)[nH]1)N1CCC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257291449 570776980 /nfs/dbraw/zinc/77/69/80/570776980.db2.gz QGZVCUQVWQXKCB-QFIPXVFZSA-N 1 0 381.476 2.203 40 0 GEABRO Cc1cncc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCCC2)c1 ZINC000257311641 570779756 /nfs/dbraw/zinc/77/97/56/570779756.db2.gz UKKJEXSGUZALRD-CGXNFDGLSA-N 1 0 381.476 2.165 40 0 GEABRO Cc1cc(C)cc(N([C@H](C)C(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000010450136 570790984 /nfs/dbraw/zinc/79/09/84/570790984.db2.gz KQPYBNICBDCTHM-QGZVFWFLSA-N 1 0 381.542 2.060 40 0 GEABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218205760 570816527 /nfs/dbraw/zinc/81/65/27/570816527.db2.gz ARWMFBNFXPVULY-SOUVJXGZSA-N 1 0 376.316 2.331 40 0 GEABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4ccoc4)C[C@H]2C3)cc1 ZINC000306123993 570935958 /nfs/dbraw/zinc/93/59/58/570935958.db2.gz BCNRAKGNECZNCV-CVEARBPZSA-N 1 0 393.447 2.436 40 0 GEABRO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CC4CC4)C[C@@H]23)cc1F ZINC000585106120 570935988 /nfs/dbraw/zinc/93/59/88/570935988.db2.gz OCXXLCBSBLETKH-MSOLQXFVSA-N 1 0 385.483 2.197 40 0 GEABRO O=C(NC1CCC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccncc2)CC1 ZINC000306124524 570936208 /nfs/dbraw/zinc/93/62/08/570936208.db2.gz BSRHWRVRYZHIPY-UHFFFAOYSA-N 1 0 380.496 2.184 40 0 GEABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@H]1CC[N@H+](CC3CCCC3)C[C@@H]21 ZINC000306126085 570936959 /nfs/dbraw/zinc/93/69/59/570936959.db2.gz DLUNISKUZOQRQY-RTBURBONSA-N 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Cc1cccc(C[NH+]2CCC3(CCc4nnc(C(=O)NC5CC5)n4C3)CC2)n1 ZINC000306136867 570942530 /nfs/dbraw/zinc/94/25/30/570942530.db2.gz QFGZMKVOLPVINY-UHFFFAOYSA-N 1 0 380.496 2.102 40 0 GEABRO Cn1nccc1[C@@H]1C[N@H+](Cc2cccnc2)C[C@]12CCCN(CC1CC1)C2=O ZINC000306136344 570942592 /nfs/dbraw/zinc/94/25/92/570942592.db2.gz PQNZLKOQUGEESG-SIKLNZKXSA-N 1 0 379.508 2.433 40 0 GEABRO O=S(=O)(c1cccc(F)c1)N1Cc2ccnn2[C@H](CC[NH+]2CCCC2)C1 ZINC000585112573 570943157 /nfs/dbraw/zinc/94/31/57/570943157.db2.gz TURVNDOMBOUZDD-QGZVFWFLSA-N 1 0 378.473 2.254 40 0 GEABRO CCNC(=O)NC[C@H]1CC[C@]2(COCC[N@H+](Cc3cccc(OCC)c3)C2)O1 ZINC000306140002 570944382 /nfs/dbraw/zinc/94/43/82/570944382.db2.gz UGPUDXGRBUIRJL-CTNGQTDRSA-N 1 0 391.512 2.154 40 0 GEABRO CCc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)s1 ZINC000306141926 570945811 /nfs/dbraw/zinc/94/58/11/570945811.db2.gz WKKNQAXFPSUZHR-YLJYHZDGSA-N 1 0 380.554 2.393 40 0 GEABRO O=C(NC1CCCCC1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008254002 570947447 /nfs/dbraw/zinc/94/74/47/570947447.db2.gz RRVYYAJEGIFKDM-QRQLOZEOSA-N 1 0 394.523 2.499 40 0 biogenic,in-vitro GEABRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)cc1F ZINC000019214528 570961231 /nfs/dbraw/zinc/96/12/31/570961231.db2.gz DIXSKWNDHSMDJF-SFHVURJKSA-N 1 0 390.484 2.486 40 0 GEABRO Cc1ccccc1CC(=O)N1CCC(c2nc3c(c(=O)[nH]2)C[N@H+](C)CC3)CC1 ZINC000019237041 570966780 /nfs/dbraw/zinc/96/67/80/570966780.db2.gz GGAYNTVBJFXVJF-UHFFFAOYSA-N 1 0 380.492 2.015 40 0 GEABRO Cc1ccn(C[C@@H](C)C(=O)N2CCc3nc([C@H]4CCC[N@H+](C)C4)ncc3C2)n1 ZINC000019237984 570967293 /nfs/dbraw/zinc/96/72/93/570967293.db2.gz CYDOKEGCOMEVOM-WBVHZDCISA-N 1 0 382.512 2.012 40 0 GEABRO O=C(CCCc1ccc(F)cc1)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000019333621 570975475 /nfs/dbraw/zinc/97/54/75/570975475.db2.gz FIUNSKQEXWHVGO-INIZCTEOSA-N 1 0 396.470 2.181 40 0 GEABRO O=C(Cc1ccc2c(c1)OCCO2)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019345687 570977654 /nfs/dbraw/zinc/97/76/54/570977654.db2.gz FZHOBOBUWDYJIG-GOSISDBHSA-N 1 0 394.475 2.190 40 0 GEABRO O=C1N[C@]2(CC[N@H+](Cc3ccc(N4CCOCC4)nc3)C2)CCc2ccccc21 ZINC000019375243 570981998 /nfs/dbraw/zinc/98/19/98/570981998.db2.gz TZUFZPDRGRTEIZ-QHCPKHFHSA-N 1 0 392.503 2.239 40 0 GEABRO O=C1CC[C@@H]([NH2+]Cc2ccnc(N3CCCC3)n2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019404065 570983352 /nfs/dbraw/zinc/98/33/52/570983352.db2.gz GZUILEMRDCIHFL-MJGOQNOKSA-N 1 0 387.434 2.465 40 0 GEABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450088 570984863 /nfs/dbraw/zinc/98/48/63/570984863.db2.gz UUDDRDAFXLNWBS-OALUTQOASA-N 1 0 394.523 2.212 40 0 GEABRO C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC[NH+](Cc3cccnc3)CC2)C[C@@H](C)O1 ZINC000019497349 570990120 /nfs/dbraw/zinc/99/01/20/570990120.db2.gz UIUMOVFVZWOTHX-HZPDHXFCSA-N 1 0 383.496 2.434 40 0 GEABRO CCSc1ncc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)cn1 ZINC000019520534 570994010 /nfs/dbraw/zinc/99/40/10/570994010.db2.gz POVKKOVNMONPBD-SLFFLAALSA-N 1 0 384.549 2.451 40 0 GEABRO COc1cc2c(cc1C[N@@H+]1CC[C@@H](c3nnc(-c4cnccn4)o3)C1)OCCO2 ZINC000019550542 571000952 /nfs/dbraw/zinc/00/09/52/571000952.db2.gz NYRMIQMUNMSMQL-CYBMUJFWSA-N 1 0 395.419 2.296 40 0 GEABRO CN1CC[NH+](C[C@]2(O)CCCN(C(=O)CCc3c[nH]c4ccccc34)CC2)CC1 ZINC000585183661 571001170 /nfs/dbraw/zinc/00/11/70/571001170.db2.gz JLRDLGXLZZHIIR-QHCPKHFHSA-N 1 0 398.551 2.092 40 0 GEABRO CN(C)c1ccc(C(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3cccnc32)cc1 ZINC000019584817 571015290 /nfs/dbraw/zinc/01/52/90/571015290.db2.gz WZJBFLPQNXHRPQ-MRXNPFEDSA-N 1 0 378.480 2.004 40 0 GEABRO C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCCO2 ZINC000019655316 571023361 /nfs/dbraw/zinc/02/33/61/571023361.db2.gz QDWSKDOLHXPGKV-KRWDZBQOSA-N 1 0 396.491 2.242 40 0 GEABRO Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc([C@H]2CCC[NH2+]2)n1 ZINC000019698280 571030589 /nfs/dbraw/zinc/03/05/89/571030589.db2.gz CAYYPJFURDABAD-LJQANCHMSA-N 1 0 386.521 2.325 40 0 GEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)c1scnc1C)C2 ZINC000019708885 571033327 /nfs/dbraw/zinc/03/33/27/571033327.db2.gz BWVZEENASUYQNO-ZDUSSCGKSA-N 1 0 386.525 2.291 40 0 GEABRO C[NH+]1CCC(c2nnc3n2CCN(C(=O)c2cccc4ncccc42)C3)CC1 ZINC000019711246 571035272 /nfs/dbraw/zinc/03/52/72/571035272.db2.gz AFNSTVXDZMQHNP-UHFFFAOYSA-N 1 0 376.464 2.292 40 0 GEABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)COc1ccccc1)CC2 ZINC000019711477 571035519 /nfs/dbraw/zinc/03/55/19/571035519.db2.gz SYIFQKHJDFPGKI-MRXNPFEDSA-N 1 0 395.507 2.291 40 0 GEABRO C[C@H](CC[NH+]1CCCCCC1)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000019715406 571037194 /nfs/dbraw/zinc/03/71/94/571037194.db2.gz SOXSFEWKJPSZLP-BQIYRTECSA-N 1 0 392.544 2.258 40 0 GEABRO C[C@H](C(=O)NCCC[NH+]1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013647153 531559708 /nfs/dbraw/zinc/55/97/08/531559708.db2.gz WKSKLRSWEOGZOV-CQSZACIVSA-N 1 0 387.933 2.097 40 0 GEABRO C[NH+](C)CCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020487083 531582069 /nfs/dbraw/zinc/58/20/69/531582069.db2.gz OTCLEZKZSZJROY-UHFFFAOYSA-N 1 0 381.885 2.432 40 0 GEABRO CN(C)C(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297551 291114758 /nfs/dbraw/zinc/11/47/58/291114758.db2.gz CGBLHCLLRWCKHG-WDYCEAGBSA-N 1 0 385.537 2.369 40 0 biogenic,in-vitro GEABRO CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(C[NH3+])NC(=O)OC(C)(C)C ZINC000218622972 532483771 /nfs/dbraw/zinc/48/37/71/532483771.db2.gz ZTGXNBPVGAEIBE-JKIFEVAISA-N 1 0 388.917 2.463 40 0 GEABRO O=c1[nH]c2ccccc2n1C1CC[NH+](C[C@H](O)[C@H]2COc3ccccc3O2)CC1 ZINC000001869696 212258871 /nfs/dbraw/zinc/25/88/71/212258871.db2.gz ZBPOBVZNVTZLGP-GHTZIAJQSA-N 1 0 395.459 2.167 40 0 GEABRO C[NH+](C)CCCNc1nc(NC(=O)c2ccc(N)cc2)cc(-c2ccccc2)n1 ZINC000328958518 212091044 /nfs/dbraw/zinc/09/10/44/212091044.db2.gz APOJASUKWPMGDF-UHFFFAOYSA-N 1 0 390.491 2.186 40 0 GEABRO COc1cc(C[N@H+]2C[C@@H]3c4nc(C)[nH]c(=O)c4CC[C@@H]3C2)cc(OC)c1OC ZINC000012119979 221153959 /nfs/dbraw/zinc/15/39/59/221153959.db2.gz ZJAYXRLWYSAHSR-ZBFHGGJFSA-N 1 0 385.464 2.266 40 0 GEABRO COc1cccc(CC(=O)NCC[NH+]2CCC(O)(c3cccc(F)c3)CC2)c1 ZINC000012326020 221182757 /nfs/dbraw/zinc/18/27/57/221182757.db2.gz NIEBRVKSPFJAJW-UHFFFAOYSA-N 1 0 386.467 2.477 40 0 GEABRO CC[NH+](CC)CCNC(=O)Cn1ncc2c3oc(C)cc3n(C(C)C)c2c1=O ZINC000012183715 221163109 /nfs/dbraw/zinc/16/31/09/221163109.db2.gz BXPHKPFPWWHSTG-UHFFFAOYSA-N 1 0 387.484 2.292 40 0 GEABRO O=C(Cn1cnc2c3ccccc3[nH]c2c1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000014001095 221295196 /nfs/dbraw/zinc/29/51/96/221295196.db2.gz NMIZMJQKNLOXNA-UHFFFAOYSA-N 1 0 393.491 2.355 40 0 GEABRO COc1cccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019079383 221395275 /nfs/dbraw/zinc/39/52/75/221395275.db2.gz RWVPWIRNQIQPKH-CVEARBPZSA-N 1 0 396.491 2.304 40 0 GEABRO C[C@@H](C(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1)n1cnc2ccccc21 ZINC000019079419 221395318 /nfs/dbraw/zinc/39/53/18/221395318.db2.gz BNZKZEKZRZPNDC-HOTGVXAUSA-N 1 0 390.491 2.439 40 0 GEABRO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019079353 221395409 /nfs/dbraw/zinc/39/54/09/221395409.db2.gz OGANDRQNMUCCPG-GJZGRUSLSA-N 1 0 384.455 2.435 40 0 GEABRO Cc1cc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)sc1C ZINC000019124711 221397508 /nfs/dbraw/zinc/39/75/08/221397508.db2.gz ISSXFWCMSQJJMC-CQSZACIVSA-N 1 0 386.521 2.456 40 0 GEABRO COc1ccc(OC)c(C(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)c1 ZINC000019551024 221424201 /nfs/dbraw/zinc/42/42/01/221424201.db2.gz WEACAGMNJWSBNZ-UHFFFAOYSA-N 1 0 382.464 2.159 40 0 GEABRO C[N@@H+]1CCCC[C@@H]1CC(=O)N1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019588863 221433293 /nfs/dbraw/zinc/43/32/93/221433293.db2.gz SVDHBZISOBASJT-KGVIQGDOSA-N 1 0 384.524 2.311 40 0 GEABRO Cn1cc(C[N@@H+]2CCC[C@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cn1 ZINC000072359061 222239167 /nfs/dbraw/zinc/23/91/67/222239167.db2.gz AMYRIHFFGZTFJC-SFHVURJKSA-N 1 0 376.464 2.356 40 0 GEABRO C[N@@H+]1CCn2c(nnc2[C@H]2CCCN2C(=O)C2(c3ccccc3)CCOCC2)C1 ZINC000072373883 222242236 /nfs/dbraw/zinc/24/22/36/222242236.db2.gz WSGUYOKIGXLQGR-GOSISDBHSA-N 1 0 395.507 2.135 40 0 GEABRO Cc1cccc(C)c1OCC(=O)N1CCCC[C@@H]1c1nnc2n1CC[N@@H+](C)C2 ZINC000072373996 222242812 /nfs/dbraw/zinc/24/28/12/222242812.db2.gz FUXXFRGQROKJMA-QGZVFWFLSA-N 1 0 383.496 2.473 40 0 GEABRO CC(=O)NCC(=O)N1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000072374958 222243058 /nfs/dbraw/zinc/24/30/58/222243058.db2.gz HWHKYHHBVFYPCC-KRWDZBQOSA-N 1 0 396.495 2.383 40 0 GEABRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nnc3n2CC[N@@H+](C)C3)cc1F ZINC000072374008 222243525 /nfs/dbraw/zinc/24/35/25/222243525.db2.gz YODOQNVYBIBACI-MRXNPFEDSA-N 1 0 393.488 2.087 40 0 GEABRO COc1ccccc1C(=O)NCCn1nc([C@H]2CC[N@H+](C)C2)c2cccnc21 ZINC000072391584 222249472 /nfs/dbraw/zinc/24/94/72/222249472.db2.gz SISYKDOCJJSJQF-HNNXBMFYSA-N 1 0 379.464 2.289 40 0 GEABRO CCN1CC[C@@]2(CN(C(C)=O)CC23CC[NH+](Cc2ccsc2)CC3)C1=O ZINC000096036493 222373564 /nfs/dbraw/zinc/37/35/64/222373564.db2.gz JNEZEASRVOUITC-HXUWFJFHSA-N 1 0 375.538 2.431 40 0 GEABRO Cc1ccc(C[N@H+]2CCN(C(=O)NC(C)C)C[C@@]3(CC(=O)N(C)C3)C2)s1 ZINC000096036097 222373598 /nfs/dbraw/zinc/37/35/98/222373598.db2.gz XJXWZTJPCIEEEZ-LJQANCHMSA-N 1 0 378.542 2.141 40 0 GEABRO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC(=O)N(C)C)C2)cc1 ZINC000096056962 222377009 /nfs/dbraw/zinc/37/70/09/222377009.db2.gz YXFARMYOVNERCI-PZJWPPBQSA-N 1 0 376.497 2.171 40 0 GEABRO Cc1cnc(CNC(=O)[C@H]2C[C@@]3(CO2)c2ccccc2C[N@H+]3CC2CC2)cn1 ZINC000096143902 222387620 /nfs/dbraw/zinc/38/76/20/222387620.db2.gz KHHSVEHTIMWLNI-IFMALSPDSA-N 1 0 378.476 2.311 40 0 GEABRO Cc1nc(CN2CCOC[C@@]3(CCC[N@@H+](Cc4cnn(C)c4)C3)C2)cs1 ZINC000096229287 222399656 /nfs/dbraw/zinc/39/96/56/222399656.db2.gz IOSSHMQKYFTSCC-LJQANCHMSA-N 1 0 375.542 2.300 40 0 GEABRO O[C@@H]1C[C@@H]2C[N@H+](CCc3ccccc3)CC3(CN(Cc4ccccc4)C3)N2C1 ZINC000514290284 560030062 /nfs/dbraw/zinc/03/00/62/560030062.db2.gz WGXWOZQNPCINKO-DHIUTWEWSA-N 1 0 377.532 2.235 40 0 biogenic,in-vitro GEABRO c1c(-c2ccc3c(c2)OCCCO3)nc2n1C[C@H](C[NH2+]C1CCOCC1)OC2 ZINC000096269397 560054279 /nfs/dbraw/zinc/05/42/79/560054279.db2.gz VSIIJYXNIRCXAD-KRWDZBQOSA-N 1 0 385.464 2.379 40 0 biogenic,in-vitro GEABRO c1cc(-c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc(N2CCOCC2)n1 ZINC000035424624 560080990 /nfs/dbraw/zinc/08/09/90/560080990.db2.gz RHXCMULSIUTSFQ-KRWDZBQOSA-N 1 0 385.468 2.284 40 0 biogenic,in-vitro GEABRO Cc1cccc(C[NH2+]C[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)c1C ZINC000585285212 570254417 /nfs/dbraw/zinc/25/44/17/570254417.db2.gz PITNZJXRRIVOCA-LADGPHEKSA-N 1 0 396.531 2.350 40 0 GEABRO CN1CC[C@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccoc2)CC3)C1=O ZINC000097952853 570261523 /nfs/dbraw/zinc/26/15/23/570261523.db2.gz PMXWHDVLQFSJBT-NRFANRHFSA-N 1 0 381.480 2.021 40 0 GEABRO CN1c2ccccc2[C@@H](CC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000100788403 570278036 /nfs/dbraw/zinc/27/80/36/570278036.db2.gz RVOWYKLXDWCKDB-LJQANCHMSA-N 1 0 385.508 2.098 40 0 GEABRO Cc1cc(C(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)on1 ZINC000022593254 570322563 /nfs/dbraw/zinc/32/25/63/570322563.db2.gz FXPLDOWTWZKNIA-OALUTQOASA-N 1 0 398.507 2.412 40 0 GEABRO Cc1cc(C)cc(N(CCCC(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000113967102 570337968 /nfs/dbraw/zinc/33/79/68/570337968.db2.gz IWSDHBPZJYAJJM-UHFFFAOYSA-N 1 0 381.542 2.060 40 0 GEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccccn2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382111 570353006 /nfs/dbraw/zinc/35/30/06/570353006.db2.gz DYFZRJVDQAVGKL-GXRSIYKFSA-N 1 0 390.487 2.229 40 0 biogenic,in-vitro GEABRO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(Cn3ccnc3)cn2)C1 ZINC000685939102 570397795 /nfs/dbraw/zinc/39/77/95/570397795.db2.gz IPGDYPVQUJZKFR-CEXWTWQISA-N 1 0 398.511 2.432 40 0 GEABRO CN1CCN(C(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000035853316 570552365 /nfs/dbraw/zinc/55/23/65/570552365.db2.gz GTRYYLOJCHCPAT-UHFFFAOYSA-N 1 0 392.547 2.392 40 0 GEABRO NC(=O)CC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)C1 ZINC000036734552 570568607 /nfs/dbraw/zinc/56/86/07/570568607.db2.gz FKYMISMZOVKLHL-IRXDYDNUSA-N 1 0 391.487 2.031 40 0 GEABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)C(C)C)[C@H]([NH+]3CCCCC3)[C@H]2O)c1 ZINC000257209244 570761147 /nfs/dbraw/zinc/76/11/47/570761147.db2.gz BPOYAHHEWUGVNH-ZRNYENFQSA-N 1 0 376.497 2.203 40 0 GEABRO Cc1cc(Nc2cc(N3CCN(C)CC3)nc(CC3CCC([NH3+])CC3)n2)n[nH]1 ZINC000257224612 570763652 /nfs/dbraw/zinc/76/36/52/570763652.db2.gz FCNXMJHCPYNTFA-UHFFFAOYSA-N 1 0 384.532 2.064 40 0 GEABRO CN(C)C(=O)c1sc2nc([C@@H]3CCCCN3C(=O)C[NH+](C)C)ccc2c1N ZINC000257230727 570764979 /nfs/dbraw/zinc/76/49/79/570764979.db2.gz GDQNXCFAYVSXPO-AWEZNQCLSA-N 1 0 389.525 2.196 40 0 GEABRO CC(=O)N[C@@H]1CN(C(=O)Cc2c(C)[nH]c3ccc(C)cc32)C2(C1)CC[NH2+]CC2 ZINC000257245673 570769700 /nfs/dbraw/zinc/76/97/00/570769700.db2.gz IQOASVDNKFTCNT-KRWDZBQOSA-N 1 0 382.508 2.186 40 0 GEABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)c(C)c1 ZINC000013672782 570770891 /nfs/dbraw/zinc/77/08/91/570770891.db2.gz BJPWDRASBQRRQT-UHFFFAOYSA-N 1 0 381.542 2.062 40 0 GEABRO C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)CNC(=O)c3ccccc3)CC[C@H]21 ZINC000257259075 570771556 /nfs/dbraw/zinc/77/15/56/570771556.db2.gz KWSZXUDQJGDGLR-NJDAHSKKSA-N 1 0 377.488 2.363 40 0 GEABRO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1cccnc1 ZINC000257292640 570777004 /nfs/dbraw/zinc/77/70/04/570777004.db2.gz QMJMMRRCLTUGMJ-CGXNFDGLSA-N 1 0 399.466 2.386 40 0 GEABRO Cc1ccc(C(=O)N2CCC[C@@](O)(C[NH+]3CCC(F)(F)CC3)CC2)c(=O)[nH]1 ZINC000257309624 570779354 /nfs/dbraw/zinc/77/93/54/570779354.db2.gz UBRBOMGOWIZXCQ-SFHVURJKSA-N 1 0 383.439 2.184 40 0 GEABRO CCCc1nc2ccccc2n1CC(=O)N[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O ZINC000257322885 570781499 /nfs/dbraw/zinc/78/14/99/570781499.db2.gz WHUVIWPHHQONNS-HGHGUNKESA-N 1 0 381.480 2.375 40 0 GEABRO C[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)c2ccc(O)cc2)CC3)C[C@H]1O ZINC000585103034 570931608 /nfs/dbraw/zinc/93/16/08/570931608.db2.gz BMAOFYMFNORTQS-LSTHTHJFSA-N 1 0 388.508 2.106 40 0 GEABRO C[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccn2)CC3)C1 ZINC000585104621 570933610 /nfs/dbraw/zinc/93/36/10/570933610.db2.gz RXURXXHLHDOUEZ-ZWKOTPCHSA-N 1 0 393.553 2.373 40 0 GEABRO CCCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2scnc2C)CC1 ZINC000306123512 570935934 /nfs/dbraw/zinc/93/59/34/570935934.db2.gz APBNQJVWESZMJL-UHFFFAOYSA-N 1 0 388.541 2.411 40 0 GEABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000585106332 570936229 /nfs/dbraw/zinc/93/62/29/570936229.db2.gz WGFHLUHKWMCIGX-MOPGFXCFSA-N 1 0 385.508 2.148 40 0 GEABRO O=C(NC1CCC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccnc2)CC1 ZINC000306130275 570939396 /nfs/dbraw/zinc/93/93/96/570939396.db2.gz JAVDZJGJTOVFKQ-UHFFFAOYSA-N 1 0 380.496 2.184 40 0 GEABRO COCCN1CC[C@]2(C[N@H+](Cc3cccnc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130768 570939412 /nfs/dbraw/zinc/93/94/12/570939412.db2.gz JOYBINWRWBOHDF-DENIHFKCSA-N 1 0 397.523 2.324 40 0 GEABRO CN1CC[N@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)N3CCCCC3)cn21 ZINC000306131395 570939861 /nfs/dbraw/zinc/93/98/61/570939861.db2.gz KDFUMBVEXLJDMF-SFHVURJKSA-N 1 0 382.512 2.054 40 0 GEABRO CN(C)C(=O)NC[C@@H]1N(C(=O)c2ccsc2)CCCC12CC[NH+](C)CC2 ZINC000306136895 570942671 /nfs/dbraw/zinc/94/26/71/570942671.db2.gz QGFNNMSPYSJDCV-INIZCTEOSA-N 1 0 378.542 2.336 40 0 GEABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4ccco4)C[C@H]2C3)cc1 ZINC000306141739 570945210 /nfs/dbraw/zinc/94/52/10/570945210.db2.gz WEZCQFSZOAUIKT-HUUCEWRRSA-N 1 0 393.447 2.436 40 0 GEABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4ccco4)C[C@@H]2C3)cc1 ZINC000306141738 570945330 /nfs/dbraw/zinc/94/53/30/570945330.db2.gz WEZCQFSZOAUIKT-GJZGRUSLSA-N 1 0 393.447 2.436 40 0 GEABRO Cn1c(C(=O)NC[C@H]2CC3(CC[NH+](Cc4cc[nH]n4)CC3)O2)cc2ccccc21 ZINC000306142925 570945779 /nfs/dbraw/zinc/94/57/79/570945779.db2.gz XOGFVWMKSBMCEG-GOSISDBHSA-N 1 0 393.491 2.455 40 0 GEABRO Cn1nc(C2CC2)cc1C(=O)N1CCc2nc(C3CC[NH+](C)CC3)ncc2C1 ZINC000019288843 570970979 /nfs/dbraw/zinc/97/09/79/570970979.db2.gz UKINZWKUWZSPEW-UHFFFAOYSA-N 1 0 380.496 2.095 40 0 GEABRO O=C([C@H]1CC(=O)OC12CCCCC2)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019292328 570972813 /nfs/dbraw/zinc/97/28/13/570972813.db2.gz YHCWDEOUHVEJQS-NVXWUHKLSA-N 1 0 384.480 2.052 40 0 GEABRO O=S(=O)(c1ccc(F)cc1)N1CCCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019335119 570976086 /nfs/dbraw/zinc/97/60/86/570976086.db2.gz WYFMXKODFNTDHJ-QGZVFWFLSA-N 1 0 376.457 2.177 40 0 GEABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@H+](CC4CC4)C3)nc2C1 ZINC000019347686 570978226 /nfs/dbraw/zinc/97/82/26/570978226.db2.gz KIVDAIDYGTYTPW-HNNXBMFYSA-N 1 0 396.466 2.307 40 0 GEABRO O=C(NC1CC1)c1ccc2c(c1)nc1n(c2=O)CC[N@H+](Cc2ccccc2)CC1 ZINC000019372418 570981122 /nfs/dbraw/zinc/98/11/22/570981122.db2.gz PPNWAUATMRFSCJ-UHFFFAOYSA-N 1 0 388.471 2.347 40 0 GEABRO O=C(CCn1ncc2ccccc21)N1CCc2nc(C3CC[NH2+]CC3)ncc2C1 ZINC000019376607 570982412 /nfs/dbraw/zinc/98/24/12/570982412.db2.gz WNSWEEVNQDSVKY-UHFFFAOYSA-N 1 0 390.491 2.268 40 0 GEABRO CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)CC[N@H+]1CCCC[C@H]1C)C2 ZINC000019496367 570989356 /nfs/dbraw/zinc/98/93/56/570989356.db2.gz ZDBQJMRCWDMOJT-UZLBHIALSA-N 1 0 399.539 2.309 40 0 GEABRO CCOc1cc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)ccc1OC ZINC000019532109 570999099 /nfs/dbraw/zinc/99/90/99/570999099.db2.gz CSQBEPRCQQYDAN-UHFFFAOYSA-N 1 0 398.507 2.378 40 0 GEABRO COc1cc2sc(NC(=O)[C@@H]3CCC[N@H+](CCC(N)=O)C3)nc2cc1Cl ZINC000019550660 571000960 /nfs/dbraw/zinc/00/09/60/571000960.db2.gz GYIJNRVAHYMVMZ-SNVBAGLBSA-N 1 0 396.900 2.484 40 0 GEABRO Cc1c2ccccc2oc1C(=O)N1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019565994 571007357 /nfs/dbraw/zinc/00/73/57/571007357.db2.gz WCYZSPVSMNAPER-CQSZACIVSA-N 1 0 390.447 2.469 40 0 GEABRO COc1cccc(OC)c1C(=O)N1CC[C@@H](c2nn(CC[NH3+])c3ncccc23)C1 ZINC000019566860 571008201 /nfs/dbraw/zinc/00/82/01/571008201.db2.gz ZEZHHFHDEYHBIN-CQSZACIVSA-N 1 0 395.463 2.037 40 0 GEABRO COc1cccc(C(=O)N2CCc3nc(C4CC[NH2+]CC4)ncc3C2)c1OC ZINC000019567398 571008600 /nfs/dbraw/zinc/00/86/00/571008600.db2.gz HHUIVDBHFLIZEM-UHFFFAOYSA-N 1 0 382.464 2.159 40 0 GEABRO COc1cccc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)c1OC ZINC000019567616 571008908 /nfs/dbraw/zinc/00/89/08/571008908.db2.gz OKHKEBXOYUMIMN-HNNXBMFYSA-N 1 0 384.480 2.377 40 0 GEABRO Cc1noc(C)c1CCC(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019580621 571012877 /nfs/dbraw/zinc/01/28/77/571012877.db2.gz WUKAUBSIHDBKOA-UHFFFAOYSA-N 1 0 383.496 2.408 40 0 GEABRO C[N@@H+]1CCC[C@H](c2ncc3c(n2)CCN(C(=O)c2n[nH]c4c2CCCC4)C3)C1 ZINC000019588620 571016368 /nfs/dbraw/zinc/01/63/68/571016368.db2.gz NAONGWGEZILHLZ-AWEZNQCLSA-N 1 0 380.496 2.086 40 0 GEABRO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)Cn1cccnc1=O ZINC000019590188 571017021 /nfs/dbraw/zinc/01/70/21/571017021.db2.gz ZKAMBLCZIKKKIX-SFHLNBCPSA-N 1 0 380.492 2.112 40 0 GEABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)[nH]c(=O)c2C1 ZINC000019590266 571017032 /nfs/dbraw/zinc/01/70/32/571017032.db2.gz AOICLUSQIHEGTR-ZDUSSCGKSA-N 1 0 383.452 2.055 40 0 GEABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019590257 571017164 /nfs/dbraw/zinc/01/71/64/571017164.db2.gz ZWSBXLXURQVOKJ-OAHLLOKOSA-N 1 0 384.455 2.258 40 0 GEABRO C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3n[nH]c4c3CCCCC4)ncc2C1 ZINC000019590535 571018125 /nfs/dbraw/zinc/01/81/25/571018125.db2.gz HRAUNIDZZQSVPJ-GOSISDBHSA-N 1 0 380.496 2.434 40 0 GEABRO COc1ccccc1CNC(=O)[C@@H]1C[N@H+](C)C[C@]12COc1ccc(F)cc1C2=O ZINC000019590830 571018662 /nfs/dbraw/zinc/01/86/62/571018662.db2.gz ODYGGJMUMTVDTJ-JTSKRJEESA-N 1 0 398.434 2.274 40 0 GEABRO Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000019698279 571030661 /nfs/dbraw/zinc/03/06/61/571030661.db2.gz CAYYPJFURDABAD-IBGZPJMESA-N 1 0 386.521 2.325 40 0 GEABRO Cn1c(C(=O)N2CCn3c(nnc3[C@@H]3CCC[N@H+](C)C3)C2)cc2cc(F)ccc21 ZINC000019710988 571034734 /nfs/dbraw/zinc/03/47/34/571034734.db2.gz SDMVNPSDIGFRKT-CQSZACIVSA-N 1 0 396.470 2.374 40 0 GEABRO Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000019715152 571036760 /nfs/dbraw/zinc/03/67/60/571036760.db2.gz UQQFUVXJFBWBPW-IBGZPJMESA-N 1 0 382.439 2.263 40 0 GEABRO CC[NH+](CC)Cc1ccccc1NC(=O)c1cc(C)nc2c1c(=O)[nH]c(=O)n2C ZINC000019716286 571038299 /nfs/dbraw/zinc/03/82/99/571038299.db2.gz LCPYQFALRKSLBM-UHFFFAOYSA-N 1 0 395.463 2.024 40 0 GEABRO COc1ccc(Br)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000007728107 531542918 /nfs/dbraw/zinc/54/29/18/531542918.db2.gz KWXSHNUOFGRHQA-UHFFFAOYSA-N 1 0 377.304 2.222 40 0 GEABRO Cc1cc(OCC(=O)NCCCN2CC[NH+](C)CC2)cc(C)c1Br ZINC000019368939 531577971 /nfs/dbraw/zinc/57/79/71/531577971.db2.gz QRIFAQAAZFKUPH-UHFFFAOYSA-N 1 0 398.345 2.198 40 0 GEABRO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[NH+]2CCCCC2)cc1 ZINC000012602463 291117154 /nfs/dbraw/zinc/11/71/54/291117154.db2.gz YHDOCKCHGWOQHE-SLFFLAALSA-N 1 0 391.581 2.470 40 0 biogenic,in-vitro GEABRO CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@]1(C[NH3+])NC(=O)OC(C)(C)C ZINC000242592358 532518054 /nfs/dbraw/zinc/51/80/54/532518054.db2.gz ORHPMQATDKFAGE-CPUCHLNUSA-N 1 0 388.917 2.463 40 0 GEABRO COc1cc(Nc2cc(-c3cccnc3)nc(NCC[NH+](C)C)n2)cc(OC)c1 ZINC000329008100 212093061 /nfs/dbraw/zinc/09/30/61/212093061.db2.gz LOZMCVRBCQETGD-UHFFFAOYSA-N 1 0 394.479 2.117 40 0 GEABRO C[NH+](C)CCCNc1nc(NCc2ccc(F)cc2)cc(-c2ccncc2)n1 ZINC000329003856 212092716 /nfs/dbraw/zinc/09/27/16/212092716.db2.gz KOMKBJJHLGPHOM-UHFFFAOYSA-N 1 0 380.471 2.497 40 0 GEABRO COc1ccc(Nc2cc(-c3ccncc3)nc(NCC[NH+](C)C)n2)c(OC)c1 ZINC000328961000 212090927 /nfs/dbraw/zinc/09/09/27/212090927.db2.gz AZYMQIPVYUFYSR-UHFFFAOYSA-N 1 0 394.479 2.117 40 0 GEABRO C[NH+](C)Cc1ccc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cc1 ZINC000012325655 221182247 /nfs/dbraw/zinc/18/22/47/221182247.db2.gz OJNUIGJNICETSD-UHFFFAOYSA-N 1 0 375.476 2.452 40 0 GEABRO CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000012366364 221184418 /nfs/dbraw/zinc/18/44/18/221184418.db2.gz ZYRKWIWUOSUPQM-RTWAWAEBSA-N 1 0 395.503 2.085 40 0 GEABRO C[C@@H]1CN(C2CC[NH+](Cc3cn(CC(N)=O)c4ccccc34)CC2)C[C@@H](C)O1 ZINC000012363740 221184948 /nfs/dbraw/zinc/18/49/48/221184948.db2.gz WSEUETHMVHJQFV-IAGOWNOFSA-N 1 0 384.524 2.200 40 0 GEABRO COc1ccc(C[N@@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@@H](C)O)cc1OC ZINC000012185582 221163619 /nfs/dbraw/zinc/16/36/19/221163619.db2.gz BWDMZJCBFBGWGB-OAHLLOKOSA-N 1 0 399.491 2.277 40 0 GEABRO Cc1c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)sc2ncn(C)c(=O)c12 ZINC000012205164 221168500 /nfs/dbraw/zinc/16/85/00/221168500.db2.gz OAWVLMWVCXDIHF-BETUJISGSA-N 1 0 376.526 2.401 40 0 GEABRO Cc1ccc([C@H](C)C(=O)N2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019135646 221398978 /nfs/dbraw/zinc/39/89/78/221398978.db2.gz NTBHMMUIPCLTKG-RDJZCZTQSA-N 1 0 378.480 2.213 40 0 GEABRO COc1ccccc1O[C@H](C)C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[NH2+]C3)C1 ZINC000019078545 221395438 /nfs/dbraw/zinc/39/54/38/221395438.db2.gz TYDNBXPDQHVYBG-HZPDHXFCSA-N 1 0 396.491 2.304 40 0 GEABRO Cn1nc(C(C)(C)C)cc1C(=O)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000019083746 221396949 /nfs/dbraw/zinc/39/69/49/221396949.db2.gz QBIDSEXEDKALFI-UHFFFAOYSA-N 1 0 382.512 2.173 40 0 GEABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)c3csc4c3CCCC4)C2)c2nccnc21 ZINC000019404395 221412219 /nfs/dbraw/zinc/41/22/19/221412219.db2.gz REXMLKCZYGGUEJ-ZDUSSCGKSA-N 1 0 396.520 2.355 40 0 GEABRO O=C(CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCCN12)NC1CC1 ZINC000072342661 222232200 /nfs/dbraw/zinc/23/22/00/222232200.db2.gz LNFLBQQXCMPQOY-UHFFFAOYSA-N 1 0 387.915 2.289 40 0 GEABRO CN(C)c1cc(C[C@@H]2CN(C(=O)CCCc3ccccc3)CC[N@H+](C)C2)ncn1 ZINC000072355228 222238771 /nfs/dbraw/zinc/23/87/71/222238771.db2.gz BMOMIGZDYYZSHS-FQEVSTJZSA-N 1 0 395.551 2.498 40 0 GEABRO COc1ccc(CCC(=O)N2CCC[C@@H](c3nnc4n3CC[N@@H+](C)CC4)C2)cc1 ZINC000072370920 222241134 /nfs/dbraw/zinc/24/11/34/222241134.db2.gz SRDUBSJSWYJHFV-GOSISDBHSA-N 1 0 397.523 2.113 40 0 GEABRO CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CC[NH+](Cc2ccoc2)CC3)C1=O ZINC000096036569 222372523 /nfs/dbraw/zinc/37/25/23/222372523.db2.gz WZKIKCWFRPVPKN-OAQYLSRUSA-N 1 0 388.512 2.098 40 0 GEABRO Cn1cc[nH+]c1N[C@@H]1COC2(C1)CCN(C(=O)c1nn(C)c3ccccc31)CC2 ZINC000096074219 222376848 /nfs/dbraw/zinc/37/68/48/222376848.db2.gz JKTUNEDWXRAWBK-HNNXBMFYSA-N 1 0 394.479 2.183 40 0 GEABRO CN1CC2(CC[NH+](Cc3cccnc3)CC2)COc2ccccc2S1(=O)=O ZINC000096145099 222389870 /nfs/dbraw/zinc/38/98/70/222389870.db2.gz NBUBUHIAKYAPEZ-UHFFFAOYSA-N 1 0 387.505 2.377 40 0 GEABRO COc1ccc(CN2CC3(C2)C[N@H+](Cc2ccccc2)C[C@H]2C[C@@H](O)CN23)cc1 ZINC000514288472 560035142 /nfs/dbraw/zinc/03/51/42/560035142.db2.gz BAVWCKGVOMDELX-FGZHOGPDSA-N 1 0 393.531 2.201 40 0 biogenic,in-vitro GEABRO C[NH+]1CCC(N2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)CC1 ZINC000035424607 560080853 /nfs/dbraw/zinc/08/08/53/560080853.db2.gz HGIMKLSGPJPKRK-SFHVURJKSA-N 1 0 398.511 2.199 40 0 biogenic,in-vitro GEABRO CCOc1ccc([C@@H](C)N(C)C(=O)C2CN(C(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000019747435 570213930 /nfs/dbraw/zinc/21/39/30/570213930.db2.gz WXXOFKYBMDICDU-MRXNPFEDSA-N 1 0 387.524 2.405 40 0 GEABRO CN(CCO)C(=O)c1cc([C@@H]2CC[N@H+](Cc3ccnn3C)C2)nc2ccccc21 ZINC000019762694 570216965 /nfs/dbraw/zinc/21/69/65/570216965.db2.gz JMYPVWXASBRAAR-MRXNPFEDSA-N 1 0 393.491 2.022 40 0 GEABRO COc1cccc(CC(=O)N2CC[C@H]3[N@H+](C)CC[C@@]3(C(=O)N3CCCC3)CC2)c1 ZINC000096263628 570226887 /nfs/dbraw/zinc/22/68/87/570226887.db2.gz VAKQRHHMUNWAQV-NFBKMPQASA-N 1 0 399.535 2.173 40 0 GEABRO Cc1ccc(CNC(=O)c2cn(-c3nc(C[NH+](C)C)c4ccccn43)cn2)o1 ZINC000096267056 570227239 /nfs/dbraw/zinc/22/72/39/570227239.db2.gz HFQLZGJOCQFOOM-UHFFFAOYSA-N 1 0 378.436 2.413 40 0 GEABRO CN(C)c1ncc(-c2cc(C(=O)N3CC[C@@H]([NH+](C)C)C3)n(CC3CC3)c2)cn1 ZINC000096266409 570227279 /nfs/dbraw/zinc/22/72/79/570227279.db2.gz AWAIDQOWSLDOOT-GOSISDBHSA-N 1 0 382.512 2.197 40 0 GEABRO CCCNC(=O)c1ccc2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCN3C)n2c1 ZINC000096268009 570227429 /nfs/dbraw/zinc/22/74/29/570227429.db2.gz LYEQAEVWGOKQTA-IBGZPJMESA-N 1 0 392.507 2.358 40 0 GEABRO OC1(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CCCCCC1 ZINC000585281838 570248039 /nfs/dbraw/zinc/24/80/39/570248039.db2.gz CBPBMGNJWOYVQK-HXUWFJFHSA-N 1 0 385.451 2.492 40 0 GEABRO CC(=O)N1CCC([N@@H+]2CCOC[C@@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585284141 570251785 /nfs/dbraw/zinc/25/17/85/570251785.db2.gz VHRMAVXGTSEDOL-JOCHJYFZSA-N 1 0 390.524 2.065 40 0 GEABRO COCC(=O)N1CC[N@@H+](C2CCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585284255 570253282 /nfs/dbraw/zinc/25/32/82/570253282.db2.gz WILSVOGXEAMHLO-JOCHJYFZSA-N 1 0 390.524 2.147 40 0 GEABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2ccc(F)cc2)C1 ZINC000585286429 570255729 /nfs/dbraw/zinc/25/57/29/570255729.db2.gz ZMJUMKQAZGDKAP-AZUAARDMSA-N 1 0 392.858 2.207 40 0 GEABRO CNC(=O)[C@@]12CCC3(CC[NH+](Cc4cccs4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000097952826 570261601 /nfs/dbraw/zinc/26/16/01/570261601.db2.gz JXXVSDLBZPMXJN-FXAWDEMLSA-N 1 0 375.538 2.335 40 0 GEABRO COc1c(Br)cc(Br)cc1CNCC[NH2+]C[C@H](C)O ZINC000022074859 570321233 /nfs/dbraw/zinc/32/12/33/570321233.db2.gz JUNYVALJGKPDLP-VIFPVBQESA-N 1 0 396.123 2.280 40 0 GEABRO COc1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@H](CO)[C@H]2Cc2ccnc(C(C)C)n2)cc1 ZINC000604382221 570353303 /nfs/dbraw/zinc/35/33/03/570353303.db2.gz LJTIMLQZYYXGBR-XRXFAXGQSA-N 1 0 385.508 2.299 40 0 biogenic,in-vitro GEABRO CCC(=O)N1CCc2cc(S(=O)(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)ccc21 ZINC000004969239 570420416 /nfs/dbraw/zinc/42/04/16/570420416.db2.gz XHZDEBUYNIZULV-MRXNPFEDSA-N 1 0 393.553 2.386 40 0 GEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224000606 570493688 /nfs/dbraw/zinc/49/36/88/570493688.db2.gz YDHQGJFKPUTNFC-GOSISDBHSA-N 1 0 395.569 2.386 40 0 GEABRO CC(C)C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257221548 570763043 /nfs/dbraw/zinc/76/30/43/570763043.db2.gz DPOBBNROMMOPDJ-FUDKSRODSA-N 1 0 388.552 2.457 40 0 GEABRO O=C(c1cccc(OCC[NH+]2CCCC2)c1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257224423 570763528 /nfs/dbraw/zinc/76/35/28/570763528.db2.gz FBTRBRDSZZVMDZ-SFTDATJTSA-N 1 0 398.507 2.196 40 0 GEABRO Cn1c2ccc(C[N@@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)cc2n(C)c1=O ZINC000257226056 570763586 /nfs/dbraw/zinc/76/35/86/570763586.db2.gz FIYGCNXKQZXWEP-UNMCSNQZSA-N 1 0 381.476 2.281 40 0 GEABRO Cc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1 ZINC000013674352 570771815 /nfs/dbraw/zinc/77/18/15/570771815.db2.gz PCZWZAFCEDVULF-GOSISDBHSA-N 1 0 395.569 2.388 40 0 GEABRO COCCN1C(=O)C[C@@H](C(=O)N2CCC[N@H+](C)CC2)[C@@H]1c1ccccc1Cl ZINC000257279802 570774977 /nfs/dbraw/zinc/77/49/77/570774977.db2.gz OIFJVBRKWBGIHB-APWZRJJASA-N 1 0 393.915 2.040 40 0 GEABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)C1CC1 ZINC000257310018 570779817 /nfs/dbraw/zinc/77/98/17/570779817.db2.gz UDJNNPVCNKXXSO-FUDKSRODSA-N 1 0 386.536 2.211 40 0 GEABRO CCOc1ccc([C@H]2[C@H](C(=O)N(C)CC[NH+](C)C)CCC(=O)N2CC)cc1 ZINC000257332237 570783030 /nfs/dbraw/zinc/78/30/30/570783030.db2.gz XWIPAIISBUPODR-QUCCMNQESA-N 1 0 375.513 2.405 40 0 GEABRO Cc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCCC1)S(C)(=O)=O ZINC000010450077 570790911 /nfs/dbraw/zinc/79/09/11/570790911.db2.gz IVEJADDRHNIULT-UHFFFAOYSA-N 1 0 387.933 2.017 40 0 GEABRO C[C@H]1CCC[N@H+](CCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)C1 ZINC000260565445 570823557 /nfs/dbraw/zinc/82/35/57/570823557.db2.gz OFNDQVKDOAZANO-KRWDZBQOSA-N 1 0 393.553 2.468 40 0 GEABRO CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)CC1 ZINC000257332113 570909452 /nfs/dbraw/zinc/90/94/52/570909452.db2.gz XVUUOIARIWWSBI-BZUAXINKSA-N 1 0 388.512 2.081 40 0 GEABRO CCN(CC)C(=O)[C@@H]1C[N@H+](Cc2cccc(OCCO)c2)CC12CCOCC2 ZINC000585102014 570928013 /nfs/dbraw/zinc/92/80/13/570928013.db2.gz YMMCXQVCXUREIH-FQEVSTJZSA-N 1 0 390.524 2.155 40 0 GEABRO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@@H](C[NH+]4CCC(O)CC4)C3)CC2)c1 ZINC000585104049 570929770 /nfs/dbraw/zinc/92/97/70/570929770.db2.gz KXDXQOOOROBXCD-GOSISDBHSA-N 1 0 388.508 2.169 40 0 GEABRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cccc2c1OCCC2 ZINC000660150303 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CCn1ncc(C[NH+]2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C ZINC000012222277 221169756 /nfs/dbraw/zinc/16/97/56/221169756.db2.gz OPJXBROGPLTNGO-IBGZPJMESA-N 1 0 389.525 2.154 40 0 GEABRO O=C1CCc2cc(S(=O)(=O)N3CCC[C@@H](C[NH+]4CCCC4)C3)ccc2N1 ZINC000012239375 221172092 /nfs/dbraw/zinc/17/20/92/221172092.db2.gz QSFABPGFCLWAJE-HNNXBMFYSA-N 1 0 377.510 2.068 40 0 GEABRO O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCCCC1)c1cccs1 ZINC000012602465 221214191 /nfs/dbraw/zinc/21/41/91/221214191.db2.gz IDTKSTNSKGIOIT-YESZJQIVSA-N 1 0 383.583 2.223 40 0 biogenic,in-vitro GEABRO CC[C@H](C(=O)NCC[NH+]1CCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716850 221284740 /nfs/dbraw/zinc/28/47/40/221284740.db2.gz SSEDGQVCINVOFJ-LJQANCHMSA-N 1 0 395.569 2.450 40 0 GEABRO COc1ccc(NC(=O)[C@H]2C[C@H]([C@@H](C)O)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000016026831 221355252 /nfs/dbraw/zinc/35/52/52/221355252.db2.gz BFXYJHATFXQDDP-RUERPSORSA-N 1 0 395.459 2.149 40 0 GEABRO 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136185682 /nfs/dbraw/zinc/18/56/82/136185682.db2.gz OFSNPSVGYIVHIR-QFIPXVFZSA-N 1 0 380.492 2.296 40 0 GEABRO C[NH+]1CCC(CCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1 ZINC000224394977 136207058 /nfs/dbraw/zinc/20/70/58/136207058.db2.gz FIVQAPRYXAEHJG-UHFFFAOYSA-N 1 0 379.526 2.078 40 0 GEABRO COc1ccc2c(c1)[nH]cc2[C@@H](O)C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000036741319 221866799 /nfs/dbraw/zinc/86/67/99/221866799.db2.gz SNBHMXKVQPVFAW-FQEVSTJZSA-N 1 0 381.480 2.439 40 0 GEABRO COc1ccc(-c2cc(CC3([NH2+]C4CCN(C(C)=O)CC4)COC3)no2)cc1 ZINC000072321946 222225933 /nfs/dbraw/zinc/22/59/33/222225933.db2.gz AMWVFYPCRBXCRM-UHFFFAOYSA-N 1 0 385.464 2.262 40 0 biogenic,in-vitro GEABRO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)C[NH+](C)C)C2)c1 ZINC000072359098 222240059 /nfs/dbraw/zinc/24/00/59/222240059.db2.gz FPYJAVGFUVHFJW-KRWDZBQOSA-N 1 0 381.480 2.370 40 0 GEABRO CNC(=O)[C@@]12CCC3(CC[NH+](Cc4ccc(OC)cc4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000096036267 222372296 /nfs/dbraw/zinc/37/22/96/222372296.db2.gz 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COc1ccc(Nc2cc(-c3cccnc3)nc(NCC[NH+](C)C)n2)c(OC)c1 ZINC000329070902 570216962 /nfs/dbraw/zinc/21/69/62/570216962.db2.gz ZKVMWBQWIVYLDA-UHFFFAOYSA-N 1 0 394.479 2.117 40 0 GEABRO COCC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 ZINC000096228765 570221511 /nfs/dbraw/zinc/22/15/11/570221511.db2.gz PJSGEAZWLRROGE-QFIPXVFZSA-N 1 0 385.508 2.298 40 0 GEABRO O=C(NCC1CC1)[C@H]1Cn2ccnc2C2(CC[NH+](CCc3ccccc3)CC2)O1 ZINC000096243605 570223230 /nfs/dbraw/zinc/22/32/30/570223230.db2.gz IWOVJYXFXMASOE-HXUWFJFHSA-N 1 0 394.519 2.342 40 0 GEABRO CN(C)S(=O)(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)Cc1ccccc12 ZINC000096242498 570223327 /nfs/dbraw/zinc/22/33/27/570223327.db2.gz BVWPNZTZGSMURH-UHFFFAOYSA-N 1 0 389.521 2.435 40 0 GEABRO Cc1noc(C)c1C[N@H+]1CCc2cc(C(=O)NCC3CC3)c(N(C)C)nc2CC1 ZINC000096260362 570225409 /nfs/dbraw/zinc/22/54/09/570225409.db2.gz KRKBWIMFFYGDGU-UHFFFAOYSA-N 1 0 397.523 2.493 40 0 GEABRO CC(C)Nc1nc2c(cc1C(=O)N1CCCC1)CC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096260470 570225838 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COc1cc(C[NH+]2CCC(NC(=S)NC3CC3)CC2)cc(OC)c1OC ZINC000225228722 570558004 /nfs/dbraw/zinc/55/80/04/570558004.db2.gz ZCRGGWABNNUSNL-UHFFFAOYSA-N 1 0 379.526 2.303 40 0 GEABRO COc1ccc2c(c1)[nH]cc2[C@H](O)C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000036741320 570569518 /nfs/dbraw/zinc/56/95/18/570569518.db2.gz SNBHMXKVQPVFAW-HXUWFJFHSA-N 1 0 381.480 2.439 40 0 GEABRO CC1CC[NH+](CCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)CC1 ZINC000225436228 570573727 /nfs/dbraw/zinc/57/37/27/570573727.db2.gz AHGKLUXOGIKFJM-UHFFFAOYSA-N 1 0 398.598 2.491 40 0 GEABRO COCCNC(=S)N(CC[NH+](C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004133526 570618129 /nfs/dbraw/zinc/61/81/29/570618129.db2.gz ZSOAWZMXBBQIBF-UHFFFAOYSA-N 1 0 390.553 2.029 40 0 GEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000260793410 570706428 /nfs/dbraw/zinc/70/64/28/570706428.db2.gz PDHQUJLPYLEFRS-OALUTQOASA-N 1 0 395.569 2.390 40 0 GEABRO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540328 570760353 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396.470 2.374 40 0 GEABRO COc1ccccc1CCC(=O)N1CCn2c(nnc2C2CC[NH+](C)CC2)C1 ZINC000019711253 571035066 /nfs/dbraw/zinc/03/50/66/571035066.db2.gz MICFFNNHVIMGGK-UHFFFAOYSA-N 1 0 383.496 2.071 40 0 GEABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cccc4cccnc42)C3)C1 ZINC000019711094 571035197 /nfs/dbraw/zinc/03/51/97/571035197.db2.gz AOHYZIATKDPMKC-MRXNPFEDSA-N 1 0 376.464 2.292 40 0 GEABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CN(CC(=O)Nc1ccccc1F)CC2 ZINC000019711609 571035553 /nfs/dbraw/zinc/03/55/53/571035553.db2.gz NVKAYPCPDBQZBR-QGZVFWFLSA-N 1 0 384.459 2.079 40 0 GEABRO Cc1ccc(OCC[NH+](C)C)c(NC(=O)c2nc3ccccc3n(C)c2=O)c1 ZINC000019715023 571036953 /nfs/dbraw/zinc/03/69/53/571036953.db2.gz BDBLUUCWTSBAMY-UHFFFAOYSA-N 1 0 380.448 2.435 40 0 GEABRO COCC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccccc2)nc(C)n1 ZINC000008623052 291115583 /nfs/dbraw/zinc/11/55/83/291115583.db2.gz IPPKHHUUGOZRLX-OTWHNJEPSA-N 1 0 380.492 2.392 40 0 biogenic,in-vitro GEABRO O[C@@H]1[C@@H](Sc2ccccc2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000012483323 291117233 /nfs/dbraw/zinc/11/72/33/291117233.db2.gz PDIUTLFCWLYDKA-OUUBHVDSSA-N 1 0 387.457 2.150 40 0 biogenic,in-vitro GEABRO O=S(=O)(NC[C@H]1CO[C@@H]2C[N@H+](Cc3cccs3)C[C@H]12)c1ccccc1 ZINC000306124062 532776775 /nfs/dbraw/zinc/77/67/75/532776775.db2.gz BEOUVKOSHMZLNJ-BMGDILEWSA-N 1 0 378.519 2.173 40 0 GEABRO Cc1nn(CC(=O)NCC[NH+](C(C)C)C(C)C)c(=O)c2cc3sccc3n21 ZINC000012115262 221152306 /nfs/dbraw/zinc/15/23/06/221152306.db2.gz GOFWYJRRKRJILD-UHFFFAOYSA-N 1 0 389.525 2.254 40 0 GEABRO COc1cccc(C2(O)CC[NH+](CCNC(=O)Cc3ccc(F)cc3)CC2)c1 ZINC000012291035 221175047 /nfs/dbraw/zinc/17/50/47/221175047.db2.gz VJUJBRNNSRUXHU-UHFFFAOYSA-N 1 0 386.467 2.477 40 0 GEABRO CCn1nc(CC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)c2ccccc2c1=O ZINC000012238138 221171482 /nfs/dbraw/zinc/17/14/82/221171482.db2.gz MKRIBNPOFDVBQB-KRWDZBQOSA-N 1 0 382.508 2.436 40 0 GEABRO CC[NH+](CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(C)cc1 ZINC000012602247 221214675 /nfs/dbraw/zinc/21/46/75/221214675.db2.gz RKCOQACAOFZCOO-GBESFXJTSA-N 1 0 379.570 2.326 40 0 biogenic,in-vitro GEABRO Cc1c(Cl)cccc1N(CC(=O)NCCC[NH+]1CCCC1)S(C)(=O)=O ZINC000013668431 221279461 /nfs/dbraw/zinc/27/94/61/221279461.db2.gz PWYLVYBKVXSMAY-UHFFFAOYSA-N 1 0 387.933 2.017 40 0 GEABRO O=C(Cn1cnc2c3ccccc3[nH]c2c1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000014001104 221296029 /nfs/dbraw/zinc/29/60/29/221296029.db2.gz GAFHSWWZCANZHU-UHFFFAOYSA-N 1 0 393.491 2.355 40 0 GEABRO C[C@@H](NC(=O)C(F)F)C(=O)N1Cc2ccccc2O[C@@]2(CCC[N@H+](C)CC2)C1 ZINC000019079579 221395975 /nfs/dbraw/zinc/39/59/75/221395975.db2.gz UIEVNTTXENTBAS-JLTOFOAXSA-N 1 0 395.450 2.032 40 0 GEABRO [NH3+]Cc1ccc(C(=O)N2CCC[C@@H](C3=NS(=O)(=O)c4ccccc4N3)C2)cc1 ZINC000019375658 221410594 /nfs/dbraw/zinc/41/05/94/221410594.db2.gz ROHYZDAJKHLPMJ-MRXNPFEDSA-N 1 0 398.488 2.210 40 0 GEABRO COc1ccc(OC)c(CC(=O)N2CCc3nc(C4CC[NH2+]CC4)ncc3C2)c1 ZINC000019551388 221424642 /nfs/dbraw/zinc/42/46/42/221424642.db2.gz FIZFUVGCPNGUQP-UHFFFAOYSA-N 1 0 396.491 2.088 40 0 GEABRO COC(C)(C)C(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCCN3C(C)=O)c2)CC1 ZINC000019697952 221441490 /nfs/dbraw/zinc/44/14/90/221441490.db2.gz FCKGRIBAJPSSGE-LJQANCHMSA-N 1 0 388.512 2.147 40 0 GEABRO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000020486516 221492751 /nfs/dbraw/zinc/49/27/51/221492751.db2.gz MEFNVHDOODUBNZ-INIZCTEOSA-N 1 0 399.582 2.141 40 0 GEABRO COc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CC(C)C)C[C@@H]23)c1 ZINC000503758090 533397432 /nfs/dbraw/zinc/39/74/32/533397432.db2.gz ZCKWFIRYFPUJBX-MOPGFXCFSA-N 1 0 385.508 2.004 40 0 GEABRO Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CC[N@H+](Cc2ccccc2)C1 ZINC000096244561 136185822 /nfs/dbraw/zinc/18/58/22/136185822.db2.gz ZOTWJXJJHGPZLZ-QFIPXVFZSA-N 1 0 380.492 2.296 40 0 GEABRO O=C1C[C@@H](N2CC[NH+](CCc3cccs3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000023375549 221595278 /nfs/dbraw/zinc/59/52/78/221595278.db2.gz NDWYHLMQVXBBLH-GOSISDBHSA-N 1 0 387.480 2.379 40 0 GEABRO CCOC(=O)c1ccc(C(=O)Cn2nc(N)n(Nc3cc[nH+]cc3)c2=S)cc1 ZINC000028535038 221678020 /nfs/dbraw/zinc/67/80/20/221678020.db2.gz AYZPNUGUULWRJG-UHFFFAOYSA-N 1 0 398.448 2.326 40 0 GEABRO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccco2)c2ccc(OC)cc2)CC1 ZINC000035311169 221815727 /nfs/dbraw/zinc/81/57/27/221815727.db2.gz PVDBKLVPDGPXHK-IBGZPJMESA-N 1 0 382.468 2.050 40 0 GEABRO COC(=O)C1C(C[NH+]2C[C@@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057731154 222036620 /nfs/dbraw/zinc/03/66/20/222036620.db2.gz UBQYGTTXFMGIJO-NJSLBKSFSA-N 1 0 387.480 2.454 40 0 GEABRO CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000067890335 222165258 /nfs/dbraw/zinc/16/52/58/222165258.db2.gz RJNKTWFUEUYCBC-QRWLVFNGSA-N 1 0 389.496 2.339 40 0 biogenic,in-vitro GEABRO CC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)NCCC[NH+]3CCCCCC3)cc21 ZINC000072345805 222232579 /nfs/dbraw/zinc/23/25/79/222232579.db2.gz DYHNBCBLKSVAAS-HXUWFJFHSA-N 1 0 393.553 2.354 40 0 GEABRO O=S(=O)(N1CCCC1)N1CC[N@@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355139 222239218 /nfs/dbraw/zinc/23/92/18/222239218.db2.gz BORXJTPJIGKXMR-SFHVURJKSA-N 1 0 392.569 2.141 40 0 GEABRO CN(C)c1cc(C[C@@H]2C[NH2+]CCN(C(=O)Cc3ccc(Cl)cc3)C2)ncn1 ZINC000072355159 222239885 /nfs/dbraw/zinc/23/98/85/222239885.db2.gz XGACUECHXQMDQV-MRXNPFEDSA-N 1 0 387.915 2.029 40 0 GEABRO Cc1cccc(CS(=O)(=O)N2CCCC[C@H]2c2nnc3n2CC[N@@H+](C)C3)c1 ZINC000072374005 222243198 /nfs/dbraw/zinc/24/31/98/222243198.db2.gz NRJGFZVNFHOFEP-KRWDZBQOSA-N 1 0 389.525 2.089 40 0 GEABRO CCOc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccccn4)C[C@H]32)c(OCC)n1 ZINC000072392647 222248197 /nfs/dbraw/zinc/24/81/97/222248197.db2.gz COINZKNYKNQMPD-RRMPHLOHSA-N 1 0 384.480 2.399 40 0 GEABRO C[N@@H+]1CC[C@@H](c2nn(CCNC(=O)COc3ccccc3)c3ncccc23)C1 ZINC000072391583 222249461 /nfs/dbraw/zinc/24/94/61/222249461.db2.gz FXYONFUVLKEDJW-MRXNPFEDSA-N 1 0 379.464 2.046 40 0 GEABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CCCC2)Cn2ccnc23)o1 ZINC000096036824 222372719 /nfs/dbraw/zinc/37/27/19/222372719.db2.gz PDUZRWIZAGDRBI-SFHVURJKSA-N 1 0 384.480 2.297 40 0 GEABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N2CCCC2)Cn2ccnc23)o1 ZINC000096036823 222373474 /nfs/dbraw/zinc/37/34/74/222373474.db2.gz PDUZRWIZAGDRBI-GOSISDBHSA-N 1 0 384.480 2.297 40 0 GEABRO O=S(=O)(C1CC1)N1CCC2(C[C@H]([NH+]3CCOCC3)c3ccccc32)CC1 ZINC000096079230 222376998 /nfs/dbraw/zinc/37/69/98/222376998.db2.gz BSEKVHIWWCBGQJ-IBGZPJMESA-N 1 0 376.522 2.289 40 0 GEABRO CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1cccs1)CCC2 ZINC000096056098 222377306 /nfs/dbraw/zinc/37/73/06/222377306.db2.gz YACHTMFKRWCHTN-JXFKEZNVSA-N 1 0 385.537 2.345 40 0 GEABRO Cn1nc(C[NH+]2CCCC2)c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2 ZINC000096084184 222379050 /nfs/dbraw/zinc/37/90/50/222379050.db2.gz FJQSOENXKLCBFQ-UHFFFAOYSA-N 1 0 396.463 2.041 40 0 GEABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)Cc3cccs3)CC2)[C@]2(CCNC2=O)C1 ZINC000096144153 222388651 /nfs/dbraw/zinc/38/86/51/222388651.db2.gz CZBZEMIUEJXCHL-OAQYLSRUSA-N 1 0 389.565 2.377 40 0 GEABRO C[NH+](C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228829 222399601 /nfs/dbraw/zinc/39/96/01/222399601.db2.gz ATSRAFLLPYWLIN-QFIPXVFZSA-N 1 0 384.524 2.284 40 0 GEABRO CC(=O)N1CCC(C2CC[NH+]([C@H]3CC(=O)N(c4ccccc4)C3=O)CC2)CC1 ZINC000096900171 222429516 /nfs/dbraw/zinc/42/95/16/222429516.db2.gz RGSZYXXCQVRVOJ-FQEVSTJZSA-N 1 0 383.492 2.289 40 0 GEABRO O[C@@H]1C[C@H]2C[N@H+](Cc3ccccc3)CC3(CN(Cc4ccccc4F)C3)N2C1 ZINC000514288444 560035028 /nfs/dbraw/zinc/03/50/28/560035028.db2.gz ACZQANYCKWENJO-LEWJYISDSA-N 1 0 381.495 2.331 40 0 biogenic,in-vitro GEABRO CC(=O)N1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)CC1 ZINC000035426216 560080751 /nfs/dbraw/zinc/08/07/51/560080751.db2.gz GRTFLUNPUUCROP-KRWDZBQOSA-N 1 0 384.484 2.345 40 0 biogenic,in-vitro GEABRO Cn1c(=O)c2c(C(F)(F)F)cc(C3CC[NH+](CC4CC4)CC3)nc2n(C)c1=O ZINC000019744818 570213183 /nfs/dbraw/zinc/21/31/83/570213183.db2.gz QPAGQPRYDNRSHK-UHFFFAOYSA-N 1 0 396.413 2.240 40 0 GEABRO CCc1nc(C)c(C(=O)N2CCC([C@H]3CCCC[N@@H+]3CC(=O)N(C)C)CC2)o1 ZINC000019746326 570213706 /nfs/dbraw/zinc/21/37/06/570213706.db2.gz OCZVIPPQKORHKW-QGZVFWFLSA-N 1 0 390.528 2.340 40 0 GEABRO C[NH+]1CCC(C(=O)N2CC(C(=O)Nc3nc4c(s3)CCCCC4)C2)CC1 ZINC000019747216 570213909 /nfs/dbraw/zinc/21/39/09/570213909.db2.gz JZEHDBHNDKYUPH-UHFFFAOYSA-N 1 0 376.526 2.151 40 0 GEABRO C[NH+](C)CCN1CCOC[C@@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096228821 570221243 /nfs/dbraw/zinc/22/12/43/570221243.db2.gz JHFIAZFBXUEKDN-QFIPXVFZSA-N 1 0 384.524 2.284 40 0 GEABRO C[N@H+](Cc1ccc(OCCCO)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585270516 570239439 /nfs/dbraw/zinc/23/94/39/570239439.db2.gz YGSGGPPJNAIUBB-OAQYLSRUSA-N 1 0 389.471 2.055 40 0 GEABRO COCC(=O)N1CC[N@@H+](C2CCCCC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585282694 570250875 /nfs/dbraw/zinc/25/08/75/570250875.db2.gz MXEZXGKQEUSQOS-OAQYLSRUSA-N 1 0 394.487 2.059 40 0 GEABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)CC1 ZINC000585285469 570254843 /nfs/dbraw/zinc/25/48/43/570254843.db2.gz YPWVXUYZBZDUGU-JLEJFLCFSA-N 1 0 394.556 2.044 40 0 GEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(O)cc1 ZINC000020636771 570273811 /nfs/dbraw/zinc/27/38/11/570273811.db2.gz JGHUUAAZDLOCKT-RBUKOAKNSA-N 1 0 393.443 2.157 40 0 GEABRO [NH3+]CCCCCC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000005865392 570274079 /nfs/dbraw/zinc/27/40/79/570274079.db2.gz YWYXPTJUFWYLOV-UHFFFAOYSA-N 1 0 381.469 2.209 40 0 GEABRO Cc1c(F)cccc1C[N@@H+]1C[C@H](C(=O)NCC2CCOCC2)[C@H]2OCC[C@H]21 ZINC000108527767 570313080 /nfs/dbraw/zinc/31/30/80/570313080.db2.gz JRNPOWCKAZSIOM-DFQSSKMNSA-N 1 0 376.472 2.266 40 0 GEABRO Cc1nccc(C[C@H]2[C@H]([NH2+]Cc3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382599 570353769 /nfs/dbraw/zinc/35/37/69/570353769.db2.gz UDLSABIBQSHRSF-NCXUSEDFSA-N 1 0 395.425 2.494 40 0 biogenic,in-vitro GEABRO O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000033920333 570424795 /nfs/dbraw/zinc/42/47/95/570424795.db2.gz XIRZRIMQXCVAIQ-OZQHCQBDSA-N 1 0 391.402 2.257 40 0 GEABRO CCc1nn(CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c(=O)c2cc3occc3n21 ZINC000005149437 570430368 /nfs/dbraw/zinc/43/03/68/570430368.db2.gz ZGDNNNVHZKUUSE-HNNXBMFYSA-N 1 0 399.495 2.185 40 0 GEABRO Cc1cc(C)cc(N(CCCC(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000224950996 570539636 /nfs/dbraw/zinc/53/96/36/570539636.db2.gz UCQQLIPBOXXDCE-UHFFFAOYSA-N 1 0 395.569 2.452 40 0 GEABRO COCC[N@H+](C)C[C@@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc3[nH]cnc3c1)C2 ZINC000247954833 570717718 /nfs/dbraw/zinc/71/77/18/570717718.db2.gz CRVLWQCRQSUTKG-IERDGZPVSA-N 1 0 386.496 2.152 40 0 GEABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC ZINC000218205519 570816518 /nfs/dbraw/zinc/81/65/18/570816518.db2.gz ARWMFBNFXPVULY-ILXRZTDVSA-N 1 0 376.316 2.331 40 0 GEABRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000042645573 570914230 /nfs/dbraw/zinc/91/42/30/570914230.db2.gz YUEUIIKFZREARS-UHFFFAOYSA-N 1 0 393.553 2.385 40 0 GEABRO CC(C)C[C@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 ZINC000019446819 570925832 /nfs/dbraw/zinc/92/58/32/570925832.db2.gz WXHLEJHCXOGUNW-RBUKOAKNSA-N 1 0 376.549 2.500 40 0 GEABRO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585104023 570929713 /nfs/dbraw/zinc/92/97/13/570929713.db2.gz KREWQSVFODBLGO-MSOLQXFVSA-N 1 0 388.508 2.169 40 0 GEABRO Cc1nc(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)c[nH]1 ZINC000585104488 570933011 /nfs/dbraw/zinc/93/30/11/570933011.db2.gz PDQRRZGBTDXCPM-SFHVURJKSA-N 1 0 383.496 2.256 40 0 GEABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2c(C)noc2C)CC1 ZINC000585106240 570936313 /nfs/dbraw/zinc/93/63/13/570936313.db2.gz HEKLHNOUMJPECV-XYPHTWIQSA-N 1 0 388.512 2.133 40 0 GEABRO C[NH+](C)C[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1cccc(F)c1)CC3 ZINC000585110157 570938958 /nfs/dbraw/zinc/93/89/58/570938958.db2.gz QSDKBHFDDIEAEI-MRXNPFEDSA-N 1 0 384.455 2.020 40 0 GEABRO Cc1ccc(-n2nccc2-c2nc(C(=O)NCC[NH+](C)C)c3cnccn32)cc1 ZINC000306130835 570939350 /nfs/dbraw/zinc/93/93/50/570939350.db2.gz JQXXCKITKPELBZ-UHFFFAOYSA-N 1 0 389.463 2.182 40 0 GEABRO CC(C)[N@@H+]1[C@H](CN2CCCC2)C[C@@H]2CN(C(=O)CCc3cncnc3)CC[C@@H]21 ZINC000585108420 570940193 /nfs/dbraw/zinc/94/01/93/570940193.db2.gz HASSSUDEKBBWPI-HKBOAZHASA-N 1 0 385.556 2.205 40 0 GEABRO COc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cnn(C)c4)C2)OC3)c1 ZINC000306139952 570944315 /nfs/dbraw/zinc/94/43/15/570944315.db2.gz UFDDWFHAPZPWDL-OAQYLSRUSA-N 1 0 379.464 2.467 40 0 GEABRO O=C(CCc1ccccc1F)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019348666 570978867 /nfs/dbraw/zinc/97/88/67/570978867.db2.gz NXFMUINWRXPHBE-MRXNPFEDSA-N 1 0 381.455 2.396 40 0 GEABRO O=C(NCCn1nc([C@@H]2CC[NH2+]C2)c2nccnc21)c1cc2c(s1)CCCC2 ZINC000019404494 570983377 /nfs/dbraw/zinc/98/33/77/570983377.db2.gz HAFKUZKEZOJYSR-CQSZACIVSA-N 1 0 396.520 2.274 40 0 GEABRO CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC000019447783 570984209 /nfs/dbraw/zinc/98/42/09/570984209.db2.gz AGLPFNIOVAWNMV-FQEVSTJZSA-N 1 0 399.539 2.165 40 0 GEABRO C[C@H](CC(=O)N(C[C@H]1CCCO1)C1CC[NH+](C)CC1)n1nnc2ccccc21 ZINC000019455085 570986421 /nfs/dbraw/zinc/98/64/21/570986421.db2.gz LNNRUHNVYOAJHQ-SJLPKXTDSA-N 1 0 385.512 2.484 40 0 GEABRO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)[nH]c(=O)c2C1 ZINC000019501596 570992854 /nfs/dbraw/zinc/99/28/54/570992854.db2.gz HLZJFZGFGOBLDF-QGZVFWFLSA-N 1 0 395.507 2.229 40 0 GEABRO CCSc1ncc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2Cc2ccccc2)cn1 ZINC000019520535 570994210 /nfs/dbraw/zinc/99/42/10/570994210.db2.gz POVKKOVNMONPBD-HSALFYBXSA-N 1 0 384.549 2.451 40 0 GEABRO COc1ccc(OCC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000019556766 571003557 /nfs/dbraw/zinc/00/35/57/571003557.db2.gz GMGCGYXWLNKJEC-LJQANCHMSA-N 1 0 382.464 2.264 40 0 GEABRO COc1ccc(CC(=O)N2CCc3nc([C@H]4CCC[N@H+](C)C4)ncc3C2)cc1 ZINC000019588600 571016567 /nfs/dbraw/zinc/01/65/67/571016567.db2.gz IPRAHHLQHICPBC-KRWDZBQOSA-N 1 0 380.492 2.422 40 0 GEABRO COc1ccccc1CC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](C)CC3)C1 ZINC000019590260 571017094 /nfs/dbraw/zinc/01/70/94/571017094.db2.gz JKPUAAAUSHZSLB-INIZCTEOSA-N 1 0 396.491 2.127 40 0 GEABRO C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cn3cnc4ccccc43)ncc2C1 ZINC000019590525 571017869 /nfs/dbraw/zinc/01/78/69/571017869.db2.gz AUFIRBYQAOQJNG-IBGZPJMESA-N 1 0 376.464 2.178 40 0 GEABRO C[N@@H+]1CCc2nc(C3CCN(C(=O)[C@@H]4OCCc5ccccc54)CC3)ncc2C1 ZINC000019590663 571018728 /nfs/dbraw/zinc/01/87/28/571018728.db2.gz POGOHTDUBVVSEM-OAQYLSRUSA-N 1 0 392.503 2.485 40 0 GEABRO Cc1cc2nc(CCNC(=O)c3ccnc(N4CC[NH+](C)CC4)c3)[nH]c2cc1C ZINC000019662434 571026247 /nfs/dbraw/zinc/02/62/47/571026247.db2.gz PGEMCPZEFZPRRB-UHFFFAOYSA-N 1 0 392.507 2.299 40 0 GEABRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(Cn3cnnn3)cc2)CC1 ZINC000019714858 571036470 /nfs/dbraw/zinc/03/64/70/571036470.db2.gz CFIYBZQRYDEXJN-UHFFFAOYSA-N 1 0 390.491 2.458 40 0 GEABRO Cc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)cc1C ZINC000010450133 230875476 /nfs/dbraw/zinc/87/54/76/230875476.db2.gz QNBQGBXQWOLBMC-KRWDZBQOSA-N 1 0 381.542 2.060 40 0 GEABRO O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1cccc(F)c1 ZINC000257283669 222769670 /nfs/dbraw/zinc/76/96/70/222769670.db2.gz OZHLFZCDONPLBC-CGXNFDGLSA-N 1 0 399.466 2.386 40 0 GEABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@H]1CC[N@H+](CC3CCCC3)C[C@H]21 ZINC000306126082 222795427 /nfs/dbraw/zinc/79/54/27/222795427.db2.gz DLUNISKUZOQRQY-MOPGFXCFSA-N 1 0 380.492 2.063 40 0 GEABRO [NH3+][C@]1(CO)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242539071 532519340 /nfs/dbraw/zinc/51/93/40/532519340.db2.gz JNNYBHRAKXTHCD-ARFHVFGLSA-N 1 0 382.279 2.079 40 0 GEABRO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2C[N@@H+](C3CCOCC3)CCN21 ZINC000253408373 212135920 /nfs/dbraw/zinc/13/59/20/212135920.db2.gz XRASHDVAIPBSMH-FQEVSTJZSA-N 1 0 386.540 2.156 40 0 biogenic,in-vitro GEABRO C[NH+](C)CCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccn2)n1 ZINC000329056124 212094284 /nfs/dbraw/zinc/09/42/84/212094284.db2.gz VRHCCMQRQDLEOX-UHFFFAOYSA-N 1 0 384.871 2.459 40 0 GEABRO COc1ccccc1CNc1cc(-c2ccncc2)nc(NCCC[NH+](C)C)n1 ZINC000329008114 212093360 /nfs/dbraw/zinc/09/33/60/212093360.db2.gz LPLXYLFIPFFYGG-UHFFFAOYSA-N 1 0 392.507 2.367 40 0 GEABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)[C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000012337269 221184057 /nfs/dbraw/zinc/18/40/57/221184057.db2.gz RDUIPIVPECFRPK-KRWDZBQOSA-N 1 0 390.549 2.042 40 0 GEABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019018427 221394009 /nfs/dbraw/zinc/39/40/09/221394009.db2.gz ZVPLFLDILBAYFH-KRWDZBQOSA-N 1 0 380.496 2.198 40 0 GEABRO COc1cccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)c1 ZINC000019079374 221395540 /nfs/dbraw/zinc/39/55/40/221395540.db2.gz RWVPWIRNQIQPKH-HZPDHXFCSA-N 1 0 396.491 2.304 40 0 GEABRO CC(C)(C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21)c1ccc(F)cc1 ZINC000019085063 221395949 /nfs/dbraw/zinc/39/59/49/221395949.db2.gz GKUOSQQZDYGFGY-AWEZNQCLSA-N 1 0 396.470 2.136 40 0 GEABRO Cc1cc2cc(C(=O)NCCn3nc([C@@H]4CC[NH2+]C4)c4nccnc43)ccc2o1 ZINC000019126485 221398166 /nfs/dbraw/zinc/39/81/66/221398166.db2.gz SHXXVWYZUFNAQJ-OAHLLOKOSA-N 1 0 390.447 2.388 40 0 GEABRO C[NH+](C)CCC1CCN(C(=O)CN2C(=O)COc3c(Cl)cccc32)CC1 ZINC000019655320 221436108 /nfs/dbraw/zinc/43/61/08/221436108.db2.gz FKYZLVKVJRLQOW-UHFFFAOYSA-N 1 0 379.888 2.256 40 0 GEABRO CN(C)C(=O)[C@]12C[N@H+](Cc3ccccc3F)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251154 136185670 /nfs/dbraw/zinc/18/56/70/136185670.db2.gz HECYTFDCXQEJJW-WIYYLYMNSA-N 1 0 383.471 2.175 40 0 GEABRO Cc1ccccc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(N3CCOCC3)nc12 ZINC000096244166 136185766 /nfs/dbraw/zinc/18/57/66/136185766.db2.gz HJWVCGPAGGNFNM-JOCHJYFZSA-N 1 0 380.492 2.296 40 0 GEABRO COc1ccc2oc(C(=O)N3CCc4nnc([C@@H]5CCC[NH2+]C5)n4CC3)cc2c1 ZINC000072370888 222240997 /nfs/dbraw/zinc/24/09/97/222240997.db2.gz VSWZTRNBFDMXIX-CQSZACIVSA-N 1 0 395.463 2.198 40 0 GEABRO COc1cc(C)ccc1C[N@H+]1CCc2nnc([C@H]3CCCN3C(C)=O)n2CC1 ZINC000072372763 222242547 /nfs/dbraw/zinc/24/25/47/222242547.db2.gz HTJXJRKKKHXCEF-GOSISDBHSA-N 1 0 383.496 2.337 40 0 GEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)Cc1ccccc1)CC2 ZINC000072380114 222244719 /nfs/dbraw/zinc/24/47/19/222244719.db2.gz XRIJHFBIJFVODK-KRWDZBQOSA-N 1 0 379.508 2.455 40 0 GEABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cc1 ZINC000072380591 222245235 /nfs/dbraw/zinc/24/52/35/222245235.db2.gz DDJJTXZBGIHLIB-QGZVFWFLSA-N 1 0 384.480 2.270 40 0 GEABRO C[N@@H+]1CC[C@H](c2nn(CCNC(=O)COc3ccccc3)c3ncccc23)C1 ZINC000072391582 222248212 /nfs/dbraw/zinc/24/82/12/222248212.db2.gz FXYONFUVLKEDJW-INIZCTEOSA-N 1 0 379.464 2.046 40 0 GEABRO CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000096036879 222373209 /nfs/dbraw/zinc/37/32/09/222373209.db2.gz RIICRWWOKKCORT-SFHVURJKSA-N 1 0 383.496 2.037 40 0 GEABRO CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1CN(Cc1cnn(C)c1)CCC2 ZINC000096056029 222374833 /nfs/dbraw/zinc/37/48/33/222374833.db2.gz DRFXRKVNVSGEQN-FPOVZHCZSA-N 1 0 386.496 2.290 40 0 GEABRO CCC[NH+]1CCC(N2C[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]32)CC1 ZINC000096080560 222376909 /nfs/dbraw/zinc/37/69/09/222376909.db2.gz SBHWAIRNOLWAGK-ICSRJNTNSA-N 1 0 377.554 2.007 40 0 GEABRO C[NH+]1CCC(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)CC1 ZINC000219158777 536340973 /nfs/dbraw/zinc/34/09/73/536340973.db2.gz YRIYTWUCYLDEHG-UHFFFAOYSA-N 1 0 385.489 2.073 40 0 GEABRO COCCOc1ccc(-c2noc([C@@H]3CCCN3C3CC[NH+](C)CC3)n2)cn1 ZINC000035425423 560080348 /nfs/dbraw/zinc/08/03/48/560080348.db2.gz CNYNZAOICJOXFZ-KRWDZBQOSA-N 1 0 387.484 2.388 40 0 biogenic,in-vitro GEABRO CN1CCN(c2ccc(-c3noc([C@@H]4CCC[N@@H+]4C4CCOCC4)n3)cn2)CC1 ZINC000049155143 560083894 /nfs/dbraw/zinc/08/38/94/560083894.db2.gz GHCCEQUJPQEBGH-SFHVURJKSA-N 1 0 398.511 2.199 40 0 biogenic,in-vitro GEABRO CC1(C)Cc2cc(-c3cncn3CC[NH2+][C@H]3CCS(=O)(=O)C3)ccc2O1 ZINC000019719716 570210886 /nfs/dbraw/zinc/21/08/86/570210886.db2.gz ZEPJIZKZLXHBTO-INIZCTEOSA-N 1 0 375.494 2.040 40 0 GEABRO CN([C@@H]1CCC[N@H+](Cc2cnn(C)c2)CC1)S(=O)(=O)c1cccc(F)c1 ZINC000019749687 570215162 /nfs/dbraw/zinc/21/51/62/570215162.db2.gz YAUWTGYJIGENIR-QGZVFWFLSA-N 1 0 380.489 2.234 40 0 GEABRO CN(C)c1nc2c(cc1C(=O)N1CCCC1)CC[N@H+](Cc1cccnc1)CC2 ZINC000096260386 570225389 /nfs/dbraw/zinc/22/53/89/570225389.db2.gz UBXRZIUCXGIJRU-UHFFFAOYSA-N 1 0 379.508 2.379 40 0 GEABRO COc1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCCCO)cc2)c1 ZINC000585269789 570238637 /nfs/dbraw/zinc/23/86/37/570238637.db2.gz JKNOHLGYKDLCJA-SFHVURJKSA-N 1 0 375.465 2.328 40 0 GEABRO OC1(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CCCCCC1 ZINC000585281837 570247940 /nfs/dbraw/zinc/24/79/40/570247940.db2.gz CBPBMGNJWOYVQK-FQEVSTJZSA-N 1 0 385.451 2.492 40 0 GEABRO O[C@H]1CC[N@H+](CC2(O)CCCCCC2)C[C@]1(O)COc1cc(F)cc(F)c1 ZINC000585281843 570248412 /nfs/dbraw/zinc/24/84/12/570248412.db2.gz CDBCGMNDBDUPEF-ICSRJNTNSA-N 1 0 385.451 2.227 40 0 GEABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCCC[C@@H]3N(C(C)=O)CCC[C@@]32C)CC1 ZINC000585282886 570250813 /nfs/dbraw/zinc/25/08/13/570250813.db2.gz IXCVOFVLBQXMQC-ICSRJNTNSA-N 1 0 395.544 2.225 40 0 GEABRO O=C(NCCCN1CCOCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000042646421 570303549 /nfs/dbraw/zinc/30/35/49/570303549.db2.gz RYTRZFBKYRMKKS-UHFFFAOYSA-N 1 0 393.793 2.136 40 0 GEABRO COc1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@H](CO)[C@H]2Cc2ccnc(C3CC3)n2)cc1 ZINC000604382122 570353229 /nfs/dbraw/zinc/35/32/29/570353229.db2.gz GCNJZQSQRMQYRO-XRXFAXGQSA-N 1 0 383.492 2.053 40 0 biogenic,in-vitro GEABRO CCc1nc2nc3ccn(CC[NH+](C)C)c(=O)c3c(-c3ccc(OC)cc3)n2n1 ZINC000038828805 570584155 /nfs/dbraw/zinc/58/41/55/570584155.db2.gz WPQWRIIAUHCAHM-UHFFFAOYSA-N 1 0 392.463 2.239 40 0 GEABRO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000247879595 570716655 /nfs/dbraw/zinc/71/66/55/570716655.db2.gz PQWMIRNCCGBIBD-GOSISDBHSA-N 1 0 376.497 2.142 40 0 GEABRO CC[NH+]1CCC(C(=O)N2CC3(C2)C[C@@H](OCc2ccccn2)CS3)CC1 ZINC000249683462 570722756 /nfs/dbraw/zinc/72/27/56/570722756.db2.gz CUCQMOGLMWGMTE-GOSISDBHSA-N 1 0 375.538 2.417 40 0 GEABRO COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCN(C(=O)Cn4nc(C)cc4C)C[C@@H]32)cc1 ZINC000257224179 570763498 /nfs/dbraw/zinc/76/34/98/570763498.db2.gz FAPZPKLDNWTBKY-NJDAHSKKSA-N 1 0 382.508 2.455 40 0 GEABRO COC[C@H](C)NC(=O)CN1CCC(c2cc(Nc3ncccn3)cc(C)[nH+]2)CC1 ZINC000257229792 570765043 /nfs/dbraw/zinc/76/50/43/570765043.db2.gz FZMQIPDOAJRASU-INIZCTEOSA-N 1 0 398.511 2.254 40 0 GEABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)c3ncccc3O)CC2)cc1 ZINC000257257821 570771448 /nfs/dbraw/zinc/77/14/48/570771448.db2.gz KRFGYKYXIXEJBH-QFIPXVFZSA-N 1 0 399.491 2.285 40 0 GEABRO Cc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)cc1C ZINC000013675532 570771767 /nfs/dbraw/zinc/77/17/67/570771767.db2.gz NKJUXATZQPURIP-SFHVURJKSA-N 1 0 395.569 2.450 40 0 GEABRO CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000257274512 570774030 /nfs/dbraw/zinc/77/40/30/570774030.db2.gz NLJFLPRCCYXJFU-GOSISDBHSA-N 1 0 380.492 2.456 40 0 GEABRO Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257283235 570775679 /nfs/dbraw/zinc/77/56/79/570775679.db2.gz OXJYAMRWUZKMPK-JYBIWHBTSA-N 1 0 385.464 2.148 40 0 GEABRO CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N[C@H]1C[C@@H](c2ccccc2)O[C@H]2CCC[C@@H]21 ZINC000257295091 570777455 /nfs/dbraw/zinc/77/74/55/570777455.db2.gz QWYJYIKJGXOYEJ-PYNNRZRQSA-N 1 0 387.524 2.290 40 0 GEABRO COCCN1C(=O)CC[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccccc1C ZINC000257307913 570779327 /nfs/dbraw/zinc/77/93/27/570779327.db2.gz TUQQLBZQJFPWQC-CTNGQTDRSA-N 1 0 387.524 2.132 40 0 GEABRO CC(=O)N[C@]12C[N@H+](Cc3cccnc3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257327625 570782443 /nfs/dbraw/zinc/78/24/43/570782443.db2.gz XCBWJFOKMMSFSS-DNVJHFABSA-N 1 0 392.503 2.382 40 0 GEABRO CCc1ccccc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000010540535 570791529 /nfs/dbraw/zinc/79/15/29/570791529.db2.gz ARQFUOLCLXPQKP-UHFFFAOYSA-N 1 0 395.569 2.253 40 0 GEABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1C ZINC000010111161 570805974 /nfs/dbraw/zinc/80/59/74/570805974.db2.gz BMVQELGSXSXWDW-UHFFFAOYSA-N 1 0 395.569 2.452 40 0 GEABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN2CC(=O)N(C)C2CCCCC2)n1 ZINC000019760660 570888718 /nfs/dbraw/zinc/88/87/18/570888718.db2.gz HWKMMRLWAGLZFU-SFHVURJKSA-N 1 0 388.560 2.190 40 0 GEABRO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2ccccc2)CC1 ZINC000019528060 570928815 /nfs/dbraw/zinc/92/88/15/570928815.db2.gz VJUMZLSOAVGTPF-NRFANRHFSA-N 1 0 392.507 2.457 40 0 GEABRO O=C(NCc1ccccc1)C1=NO[C@]2(C1)COCC[C@@H]2[NH2+]Cc1cccs1 ZINC000306122959 570935383 /nfs/dbraw/zinc/93/53/83/570935383.db2.gz AAPTWYCFAROCMW-AZUAARDMSA-N 1 0 385.489 2.458 40 0 GEABRO O=C(NCc1ccccc1)C1=NO[C@@]2(C1)COCC[C@H]2[NH2+]Cc1cccs1 ZINC000306122961 570935396 /nfs/dbraw/zinc/93/53/96/570935396.db2.gz AAPTWYCFAROCMW-QUCCMNQESA-N 1 0 385.489 2.458 40 0 GEABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)COc2ccccc2)CC1 ZINC000585106188 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