smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(C[NH+]2CCN([C@H]3CN(C4CCCCC4)S(=O)(=O)C3)CC2)c1 ZINC000072138645 205309111 /nfs/dbraw/zinc/30/91/11/205309111.db2.gz GFZSJQAITMYLIK-NRFANRHFSA-N 1 1 391.581 2.459 3 0 GEAFMO C[N@@H+]1[C@@H]2C[C@@H](OC(=O)c3ccccc3)C[C@H]1[C@H](O)[C@@H]2OC(=O)c1ccccc1 ZINC000095910487 291114776 /nfs/dbraw/zinc/11/47/76/291114776.db2.gz RJHQYFUSJXOHHZ-UHZRXMQZSA-N 1 1 381.428 2.275 1 0 biogenic,in-vitro GEAFMO C[NH+]1CCN(c2ncc3nc(CCc4ccccc4)c(=O)n(C4CC4)c3n2)CC1 ZINC000004239019 204033904 /nfs/dbraw/zinc/03/39/04/204033904.db2.gz RGVDHDHELCGXJK-UHFFFAOYSA-N 1 1 390.491 2.058 1 0 GEAFMO COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@@H]1C[N@H+]4C[C@@H](C)[C@@H](C=C[C@@]12CO)[C@]43O ZINC000058522430 205176121 /nfs/dbraw/zinc/17/61/21/205176121.db2.gz KJJSHRRLRCGALL-SNZIKGKMSA-N 1 1 385.504 2.101 1 0 GEAFMO COc1cccc(C[N@@H+]2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@H]2C)c1 ZINC000084712085 205398492 /nfs/dbraw/zinc/39/84/92/205398492.db2.gz XBYPYYJZAJXDOK-CYBMUJFWSA-N 1 1 392.477 2.233 1 0 GEAFMO COc1cccc(C[N@H+]2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@H]2C)c1 ZINC000084712085 205398495 /nfs/dbraw/zinc/39/84/95/205398495.db2.gz XBYPYYJZAJXDOK-CYBMUJFWSA-N 1 1 392.477 2.233 1 0 GEAFMO COC(=O)N1c2c(ccc3c2OCO3)[C@@]23[C@@H]4C[N@@H+]5CCC[C@@](CC[C@@H]12)(CC4=O)[C@H]53 ZINC000040461327 205065373 /nfs/dbraw/zinc/06/53/73/205065373.db2.gz UZPRUUKCBFHMHH-VUEPOBENSA-N 1 1 396.443 2.455 1 0 GEAFMO CN(C)C(=O)[C@H]1Cc2ccccc2N1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000084726385 205398577 /nfs/dbraw/zinc/39/85/77/205398577.db2.gz FPLAAEYIEZOPQC-OAQYLSRUSA-N 1 1 377.488 2.481 1 0 GEAFMO CC(C)[C@@](C)(O)[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc43)n2)CC[NH2+]1 ZINC000095581050 136182400 /nfs/dbraw/zinc/18/24/00/136182400.db2.gz PDSONWYECZHBAE-FOIQADDNSA-N 1 1 384.459 2.344 1 0 GEAFMO COc1cc2c(cc1OC)-c1c(OCO)c(OCO)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000095486345 291116025 /nfs/dbraw/zinc/11/60/25/291116025.db2.gz UQTAUJNPDCIUPD-HNNXBMFYSA-N 1 1 387.432 2.113 1 0 biogenic,in-vitro GEAFMO COc1cc2c(cc1OC)-c1c(OCO)c(OCO)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000095486345 291116027 /nfs/dbraw/zinc/11/60/27/291116027.db2.gz UQTAUJNPDCIUPD-HNNXBMFYSA-N 1 1 387.432 2.113 1 0 biogenic,in-vitro GEAFMO C[NH+]1CCN(c2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C4CC4)c3n2)CC1 ZINC000004238919 204034074 /nfs/dbraw/zinc/03/40/74/204034074.db2.gz WLDWZZKJBZQKFJ-UHFFFAOYSA-N 1 1 398.417 2.218 1 0 GEAFMO CN1CCN(c2ccc3c(c2)C(=O)c2cc(N4CC[NH+](C)CC4)ccc2-3)CC1 ZINC000082157329 136174317 /nfs/dbraw/zinc/17/43/17/136174317.db2.gz DJVVVZJIWWEDHF-UHFFFAOYSA-N 1 1 376.504 2.402 1 0 GEAFMO COC(=O)N1c2c(ccc3c2OCO3)[C@@]23[C@@H]4C[N@@H+]5CCC[C@@](CC[C@H]12)(CC4=O)[C@H]53 ZINC000040461326 205065046 /nfs/dbraw/zinc/06/50/46/205065046.db2.gz UZPRUUKCBFHMHH-LIHVANJYSA-N 1 1 396.443 2.455 1 0 GEAFMO C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1 ZINC000045347249 205095471 /nfs/dbraw/zinc/09/54/71/205095471.db2.gz NWAGWYQOJGTXLT-QGZVFWFLSA-N 1 1 391.475 2.082 1 0 GEAFMO 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 ZINC000169347050 205830010 /nfs/dbraw/zinc/83/00/10/205830010.db2.gz ZGKVSNGVCSJFTE-WEUAAKDTSA-N 1 1 383.488 2.383 1 0 GEAFMO C/C=C1\C[N@@H+]2CC[C@@]34Cc5cc(O)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25 ZINC000095485892 291112689 /nfs/dbraw/zinc/11/26/89/291112689.db2.gz JZRSUQHRYMVSNA-SCYVTCGUSA-N 1 1 396.487 2.311 1 0 biogenic,in-vitro GEAFMO C/C=C1\C[N@H+]2CC[C@@]34Cc5cc(O)ccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25 ZINC000095485892 291112690 /nfs/dbraw/zinc/11/26/90/291112690.db2.gz JZRSUQHRYMVSNA-SCYVTCGUSA-N 1 1 396.487 2.311 1 0 biogenic,in-vitro GEAFMO CC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000072135773 205307945 /nfs/dbraw/zinc/30/79/45/205307945.db2.gz KMPMDXVVWARRNM-QGZVFWFLSA-N 1 1 397.527 2.308 3 0 GEAFMO CCCCNC(=O)OC[C@H](O)Cn1cc(C[N@@H+](C)CC2CCCCC2)nn1 ZINC000082153247 205389218 /nfs/dbraw/zinc/38/92/18/205389218.db2.gz GJFPCYAMHJJUHN-GOSISDBHSA-N 1 1 381.521 2.177 1 0 GEAFMO Cc1ccc(-c2nc(NC(=O)CN3CC[NH+](C)CC3)cc(-c3nccs3)n2)o1 ZINC000023360523 204806921 /nfs/dbraw/zinc/80/69/21/204806921.db2.gz RSXYRGSDOLORMR-UHFFFAOYSA-N 1 1 398.492 2.354 1 0 GEAFMO COC(=O)[C@]12CC[C@]34CCC[N@H+]5C[C@H](C(=O)C3)[C@@]1(c1cccc(OC)c1N2)[C@@H]54 ZINC000095913678 291115259 /nfs/dbraw/zinc/11/52/59/291115259.db2.gz DURZPTVMWVJYBB-TVTJTFRUSA-N 1 1 382.460 2.118 1 0 biogenic,in-vitro GEAFMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2c3ccccc3[nH]c(=O)c2=O)cc1 ZINC000008586474 204280417 /nfs/dbraw/zinc/28/04/17/204280417.db2.gz BVBURHKKLMNICB-KRWDZBQOSA-N 1 1 392.459 2.305 1 0 GEAFMO CC1=C[C@@H]([C@@H]2O[C@@H]3CCC[N@@H+]4[C@@H](CC[C@H]4[C@@H]4C[C@H](C)C(=O)O4)[C@H]3[C@@H]2C)OC1=O ZINC000085810548 291113937 /nfs/dbraw/zinc/11/39/37/291113937.db2.gz QAAYWVNRGVTWRB-VQFDKPTRSA-N 1 1 389.492 2.456 1 0 biogenic,in-vitro GEAFMO COC1=C(OC)[C@H]2C(=O)O[C@H]([C@H]3c4cc5c(cc4CC[N@@H+]3C)OCO5)[C@H]2C=C1 ZINC000095911934 291115249 /nfs/dbraw/zinc/11/52/49/291115249.db2.gz CRAVBINFWZGLSC-RCUQFMMVSA-N 1 1 385.416 2.176 1 0 biogenic,in-vitro GEAFMO COc1ccc2c(c1)NC(=O)[C@@]21CC[N@H+]2C[C@H]3[C@H](C)OC=C(OC(C)=O)[C@H]3C[C@@H]21 ZINC000033829803 291116369 /nfs/dbraw/zinc/11/63/69/291116369.db2.gz GFBRPLWLNZPYAL-LVSKTSOBSA-N 1 1 398.459 2.419 1 0 biogenic,in-vitro GEAFMO COc1cccc2c1CC[C@H]1C[N@@H+](CCn3c(=O)[nH]c4cnccc4c3=O)C[C@@H]21 ZINC000013863024 207003205 /nfs/dbraw/zinc/00/32/05/207003205.db2.gz DQYOZIINFGPXBN-KBXCAEBGSA-N 1 1 392.459 2.168 1 0 GEAFMO COc1cc2c(cc1OC)[C@]13CC[N@H+]4C/C(=C/CO)[C@H](C[C@H]41)C1=CCC(=O)N2[C@@H]13 ZINC000014681404 207026848 /nfs/dbraw/zinc/02/68/48/207026848.db2.gz XTGYWZXUYFAABL-XZZOEZDBSA-N 1 1 394.471 2.013 1 0 GEAFMO Cc1ncc2c(c1-c1noc([C@H]3CCC[N@H+]3C)n1)CCN(C(=O)c1c[nH]cn1)C2 ZINC000019792515 207160391 /nfs/dbraw/zinc/16/03/91/207160391.db2.gz DUVQLPRXWHKKQV-MRXNPFEDSA-N 1 1 393.451 2.128 1 0 GEAFMO Cc1ncc2c(c1-c1noc([C@H]3CCC[N@@H+]3C)n1)CCN(C(=O)c1c[nH]cn1)C2 ZINC000019792515 207160394 /nfs/dbraw/zinc/16/03/94/207160394.db2.gz DUVQLPRXWHKKQV-MRXNPFEDSA-N 1 1 393.451 2.128 1 0 GEAFMO O=C(NC1CC[NH+](CCF)CC1)c1ccc(I)cc1 ZINC000028702591 207346561 /nfs/dbraw/zinc/34/65/61/207346561.db2.gz SWVXOPWSGGQROR-UHFFFAOYSA-N 1 1 376.213 2.455 1 0 GEAFMO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000028892144 207351438 /nfs/dbraw/zinc/35/14/38/207351438.db2.gz OLWHNGIYJGTQGH-WOPDTQHZSA-N 1 1 381.325 2.363 1 0 GEAFMO COc1cccc2c1CC[C@H]1C[N@@H+](CCn3c(=O)[nH]c4ccsc4c3=O)C[C@H]21 ZINC000095561262 208231965 /nfs/dbraw/zinc/23/19/65/208231965.db2.gz CAEZRWQRXPFXAO-BBRMVZONSA-N 1 1 397.500 2.422 1 0 GEAFMO COc1cc2c(cc1OC)[C@@H]1C[C@H]3[C@H](CCCN3S(C)(=O)=O)C[N@H+]1[C@H](C)C2 ZINC000013820245 207001487 /nfs/dbraw/zinc/00/14/87/207001487.db2.gz SQUYVGWOAPFRMA-KNCCTNLNSA-N 1 1 394.537 2.435 1 0 GEAFMO C[C@@H]1C[N@@H+](CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)C[C@H](C)N1 ZINC000022933680 207265379 /nfs/dbraw/zinc/26/53/79/207265379.db2.gz SIEXHGADVYZANN-IYBDPMFKSA-N 1 1 395.511 2.326 1 0 GEAFMO C[C@@H]1C[N@H+](CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)C[C@H](C)N1 ZINC000022933680 207265384 /nfs/dbraw/zinc/26/53/84/207265384.db2.gz SIEXHGADVYZANN-IYBDPMFKSA-N 1 1 395.511 2.326 1 0 GEAFMO CC1=C[C@H]([C@H]2O[C@@H]3CCC[N@@H+]4[C@@H](CC[C@H]4[C@@H]4C[C@H](C)C(=O)O4)[C@H]3[C@@H]2C)OC1=O ZINC000029042000 207353496 /nfs/dbraw/zinc/35/34/96/207353496.db2.gz QAAYWVNRGVTWRB-PMVIMNEFSA-N 1 1 389.492 2.456 1 0 GEAFMO O=C(Nc1ccc(NC2=NCCN2)cc1)Nc1ccc(NC2=[NH+]CCN2)cc1 ZINC000029133248 207358326 /nfs/dbraw/zinc/35/83/26/207358326.db2.gz LKTCZTBRNBJWBP-UHFFFAOYSA-N 1 1 378.440 2.073 1 0 GEAFMO CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)CC[NH+]1CCCCC1 ZINC000029215507 207358875 /nfs/dbraw/zinc/35/88/75/207358875.db2.gz CKFZRPUKPZJGSX-CTNGQTDRSA-N 1 1 391.581 2.496 1 0 GEAFMO COc1ccccc1C[N@@H+]1Cc2cc(OC)c(OS(N)(=O)=O)cc2C[C@@H]1C ZINC000084726543 208098129 /nfs/dbraw/zinc/09/81/29/208098129.db2.gz FPCJLRWQQOFPIG-ZDUSSCGKSA-N 1 1 392.477 2.233 1 0 GEAFMO COc1ccccc1C[N@H+]1Cc2cc(OC)c(OS(N)(=O)=O)cc2C[C@@H]1C ZINC000084726543 208098133 /nfs/dbraw/zinc/09/81/33/208098133.db2.gz FPCJLRWQQOFPIG-ZDUSSCGKSA-N 1 1 392.477 2.233 1 0 GEAFMO C[N@H+]1CCC[C@H](C(=O)NCc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1 ZINC000045347246 581098767 /nfs/dbraw/zinc/09/87/67/581098767.db2.gz NWAGWYQOJGTXLT-KRWDZBQOSA-N 1 1 391.475 2.082 1 0 GEAFMO COc1cccc(N2CC[NH+](C[C@H]3CN=C4c5ccccc5NC(=O)N43)CC2)c1 ZINC000013832336 207002680 /nfs/dbraw/zinc/00/26/80/207002680.db2.gz UAGNYVZZZZFXBQ-QGZVFWFLSA-N 1 1 391.475 2.494 1 0 GEAFMO CCN(CC)C(=O)[C@@H]1CCCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C1 ZINC000025964976 207306694 /nfs/dbraw/zinc/30/66/94/207306694.db2.gz GQIQCCMFUWIPKY-CYBMUJFWSA-N 1 1 387.484 2.314 1 0 GEAFMO CC(C)C[C@H](C[NH2+]CC(=O)[O-])[NH2+]C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000028013888 207332683 /nfs/dbraw/zinc/33/26/83/207332683.db2.gz BVSYNVGKXCETMK-MOPGFXCFSA-N 1 1 391.512 2.466 1 0 GEAFMO COc1cc2[nH+]c(N3CCC(OC[C@@H](C)OC)CC3)nc(N)c2cc1OC ZINC000027562318 207327185 /nfs/dbraw/zinc/32/71/85/207327185.db2.gz TYZQTLVLJVDBCB-GFCCVEGCSA-N 1 1 376.457 2.250 1 0 GEAFMO C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000028892134 207350913 /nfs/dbraw/zinc/35/09/13/207350913.db2.gz OLWHNGIYJGTQGH-UTUOFQBUSA-N 1 1 381.325 2.363 1 0 GEAFMO COc1cc(C2=C(c3c[nH]c4cc[nH+]cc43)C(=O)NC2=O)cc(OC)c1OC ZINC000095574656 208234445 /nfs/dbraw/zinc/23/44/45/208234445.db2.gz JJIWTVPITVCQSQ-UHFFFAOYSA-N 1 1 379.372 2.156 1 0 GEAFMO CC[C@@H]1C2=C3[C@@H]4[C@@H](OC(=O)[C@@H](C)[C@@H]4[C@H]1O)[C@@H]([C@H]1C[C@H](C)C(=O)O1)[N@H+]3CCCC2 ZINC000103584781 291114774 /nfs/dbraw/zinc/11/47/74/291114774.db2.gz IMBLSLXWSTZJFX-LVWMSTKQSA-N 1 1 389.492 2.255 1 0 biogenic,in-vitro GEAFMO CC[C@@H]1C2=C3[N@H+](CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@]32OC(=O)[C@@H](C)[C@H]2[C@@H]1O ZINC000103584784 291114389 /nfs/dbraw/zinc/11/43/89/291114389.db2.gz AQNPGXKKPJKNFG-INLMDTRGSA-N 1 1 389.492 2.399 1 0 biogenic,in-vitro GEAFMO COc1cc2[nH+]c(N3CCN(C(=O)c4ccco4)[C@@H](C)C3)nc(N)c2cc1OC ZINC000013826088 207000703 /nfs/dbraw/zinc/00/07/03/207000703.db2.gz IFHSATYJNUJCGC-LBPRGKRZSA-N 1 1 397.435 2.173 1 0 GEAFMO COc1cccc(N2CC[NH+](C[C@@H]3CN=C4c5ccccc5NC(=O)N43)CC2)c1 ZINC000013832335 207002603 /nfs/dbraw/zinc/00/26/03/207002603.db2.gz UAGNYVZZZZFXBQ-KRWDZBQOSA-N 1 1 391.475 2.494 1 0 GEAFMO COc1cccc2c1CC[C@H]1C[N@@H+](CCn3c(=O)[nH]c4[nH]ccc4c3=O)C[C@@H]21 ZINC000013863022 207002766 /nfs/dbraw/zinc/00/27/66/207002766.db2.gz GGFLSBNZVPANMF-SUMWQHHRSA-N 1 1 380.448 2.101 1 0 GEAFMO C[NH+]1CCN(C2=Nc3ccccc3Nc3ccc(OS(C)(=O)=O)cc32)CC1 ZINC000026377519 207313235 /nfs/dbraw/zinc/31/32/35/207313235.db2.gz OUTHAVMRGGWPSK-UHFFFAOYSA-N 1 1 386.477 2.408 1 0 GEAFMO CCCn1c(=O)[nH]c2cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)ccc2c1=O ZINC000028641698 207346214 /nfs/dbraw/zinc/34/62/14/207346214.db2.gz KCTUOUPGGDPLRC-HNNXBMFYSA-N 1 1 386.496 2.094 1 0 GEAFMO CCCc1[nH+]ccn1[C@@H](CC(=O)OCC)[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC ZINC000096903064 208327270 /nfs/dbraw/zinc/32/72/70/208327270.db2.gz YMWINJDXMNADPA-ROJAXVNGSA-N 1 1 382.457 2.221 1 0 GEAFMO CC[C@@H]1C2=C3[N@H+](CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@@]32OC(=O)[C@@H](C)[C@H]2[C@@H]1O ZINC000103565569 291114361 /nfs/dbraw/zinc/11/43/61/291114361.db2.gz AQNPGXKKPJKNFG-NOULQYMOSA-N 1 1 389.492 2.399 1 0 biogenic,in-vitro GEAFMO COc1ccc(OC)c2c1CC[N@@H+]1C[C@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21 ZINC000013820241 207000286 /nfs/dbraw/zinc/00/02/86/207000286.db2.gz HWHCZHASRXMSHK-KBMXLJTQSA-N 1 1 380.510 2.047 1 0 GEAFMO COc1ccc(OC)c2c1CC[N@H+]1C[C@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21 ZINC000013820241 207000290 /nfs/dbraw/zinc/00/02/90/207000290.db2.gz HWHCZHASRXMSHK-KBMXLJTQSA-N 1 1 380.510 2.047 1 0 GEAFMO Nc1ccc2c(c1)[nH]c(=O)n2C1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000027901040 207332526 /nfs/dbraw/zinc/33/25/26/207332526.db2.gz PQAYTJWAHXYSKW-MRXNPFEDSA-N 1 1 380.448 2.389 1 0 GEAFMO COC(=O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(ccc4OC)C[C@H]2[N@H+](C)CC[C@]513 ZINC000028263629 207339050 /nfs/dbraw/zinc/33/90/50/207339050.db2.gz MOJBKWAKHXFXPN-FFEUSGHHSA-N 1 1 397.471 2.089 1 0 GEAFMO C[C@@H]1CCCC[N@H+]1CCCN1CC(=O)N(CCc2ccc(F)cc2)CC1=O ZINC000028471237 207341793 /nfs/dbraw/zinc/34/17/93/207341793.db2.gz LEERABIXWHCMLC-QGZVFWFLSA-N 1 1 375.488 2.304 1 0 GEAFMO COc1ccc(C[N@@H+]2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@H]2C)cc1 ZINC000084712088 208097467 /nfs/dbraw/zinc/09/74/67/208097467.db2.gz OHGVAKYXNZTDPQ-CYBMUJFWSA-N 1 1 392.477 2.233 1 0 GEAFMO COc1ccc(C[N@H+]2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@H]2C)cc1 ZINC000084712088 208097473 /nfs/dbraw/zinc/09/74/73/208097473.db2.gz OHGVAKYXNZTDPQ-CYBMUJFWSA-N 1 1 392.477 2.233 1 0 GEAFMO COc1ccccc1[C@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000020141271 207181035 /nfs/dbraw/zinc/18/10/35/207181035.db2.gz UFSJIFYSGRDSBI-HXUWFJFHSA-N 1 1 396.470 2.206 1 0 GEAFMO C/C=C/C=C/C(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000025963925 207307047 /nfs/dbraw/zinc/30/70/47/207307047.db2.gz IGAQSPGTMPOCMT-YTXTXJHMSA-N 1 1 383.452 2.010 1 0 GEAFMO CCC[N@@H+](CCNS(=O)(=O)N(CC)CC)[C@H]1CCc2c(O)cccc2C1 ZINC000028007754 207332838 /nfs/dbraw/zinc/33/28/38/207332838.db2.gz BEHVFSCUEIBFFU-KRWDZBQOSA-N 1 1 383.558 2.138 1 0 GEAFMO CC(C)C[C@@H](C[NH2+]CC(=O)[O-])[NH2+]C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000028013883 207333203 /nfs/dbraw/zinc/33/32/03/207333203.db2.gz BVSYNVGKXCETMK-OALUTQOASA-N 1 1 391.512 2.466 1 0 GEAFMO [NH3+]CCCN(CCCN1CCc2ccccc2C1)S(=O)(=O)c1ccccc1 ZINC000073159855 208032196 /nfs/dbraw/zinc/03/21/96/208032196.db2.gz AUUJDSNHSKQDHS-UHFFFAOYSA-N 1 1 387.549 2.475 1 0 GEAFMO CCCc1[nH+]ccn1[C@@H](CC(=O)OCC)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC ZINC000096903066 208328376 /nfs/dbraw/zinc/32/83/76/208328376.db2.gz YMWINJDXMNADPA-RPCVNMKUSA-N 1 1 382.457 2.221 1 0 GEAFMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](Cc2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000020177785 207181211 /nfs/dbraw/zinc/18/12/11/207181211.db2.gz FTKVAEAZIKGCJX-HIFRSBDPSA-N 1 1 392.415 2.246 1 0 GEAFMO COc1cccc(N2CC[NH+](C[C@H]3CN4C(=N3)c3ccccc3NC4=O)CC2)c1 ZINC000026286089 207311456 /nfs/dbraw/zinc/31/14/56/207311456.db2.gz RFQQQVSVVJHXMB-INIZCTEOSA-N 1 1 391.475 2.494 1 0 GEAFMO CC(=O)Nc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncccn4)CC[N@H+]3C2)cc1 ZINC000027854027 207331672 /nfs/dbraw/zinc/33/16/72/207331672.db2.gz CWRQNZXCKKVFTG-MJGOQNOKSA-N 1 1 381.480 2.415 1 0 GEAFMO CC(C)CC[N@H+](C)Cc1cn(C[C@H](O)COC(=O)NCc2ccccc2)nn1 ZINC000082155434 208082727 /nfs/dbraw/zinc/08/27/27/208082727.db2.gz DNUUBMUPAYOZIJ-IBGZPJMESA-N 1 1 389.500 2.043 1 0 GEAFMO CC(C)CC[N@@H+](C)Cc1cn(C[C@H](O)COC(=O)NCc2ccccc2)nn1 ZINC000082155434 208082734 /nfs/dbraw/zinc/08/27/34/208082734.db2.gz DNUUBMUPAYOZIJ-IBGZPJMESA-N 1 1 389.500 2.043 1 0 GEAFMO C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3[nH+]cccc3C)CC2)cc1 ZINC000084731048 534493211 /nfs/dbraw/zinc/49/32/11/534493211.db2.gz LXGRQANYXIETIX-UHFFFAOYSA-N 1 1 386.477 2.025 1 0 GEAFMO CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)c(O)cc4[C@@]34CC[N@@H+](C[C@@H]3O[C@@H]31)[C@H]42 ZINC000040828997 206263413 /nfs/dbraw/zinc/26/34/13/206263413.db2.gz BECBFSXLBJGONE-DIMUUIPOSA-N 1 1 398.459 2.147 1 0 in-vitro GEAFMO O=C1NCCN1c1ccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)cc1 ZINC000019226853 207109593 /nfs/dbraw/zinc/10/95/93/207109593.db2.gz UORDPQUSPJVMHX-NRFANRHFSA-N 1 1 386.540 2.418 3 0 GEAFMO CC[C@H]1[C@H]2CCCC[N@@H+]3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@]23[C@H]2[C@@H]1OC(=O)[C@@]2(C)O ZINC000070454820 560047927 /nfs/dbraw/zinc/04/79/27/560047927.db2.gz SVSUKQDSRBZWNP-DMGQJRCBSA-N 1 1 391.508 2.274 1 0 biogenic,in-vitro GEAFMO CC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000072135772 211074083 /nfs/dbraw/zinc/07/40/83/211074083.db2.gz KMPMDXVVWARRNM-KRWDZBQOSA-N 1 1 397.527 2.308 3 0 GEAFMO C[NH+]1CCN(C(=O)CN2c3cc(Cl)ccc3Oc3ncccc3C2=O)CC1 ZINC000020532519 210344004 /nfs/dbraw/zinc/34/40/04/210344004.db2.gz PXRTYSCGPOVMNN-UHFFFAOYSA-N 1 1 386.839 2.262 1 0 GEAFMO C/C=C/C(=O)Nc1ccnc(Sc2c(C)nc(N3CC[NH+](C)CC3)nc2C)n1 ZINC000103254921 533441270 /nfs/dbraw/zinc/44/12/70/533441270.db2.gz UDPXWYWUGCNNBS-AATRIKPKSA-N 1 1 399.524 2.301 1 0 GEAFMO C[NH+]1CCN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccco3)n2)CC1 ZINC000023360508 581093568 /nfs/dbraw/zinc/09/35/68/581093568.db2.gz NPNLXWRCDBORLG-UHFFFAOYSA-N 1 1 384.465 2.046 1 0 GEAFMO Cc1ncc2c(n1)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@H+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000013800210 210091918 /nfs/dbraw/zinc/09/19/18/210091918.db2.gz TXYHVHRAQHKCHR-LMDOGRNLSA-N 1 1 391.471 2.190 1 0 GEAFMO CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000084726384 211174407 /nfs/dbraw/zinc/17/44/07/211174407.db2.gz FPLAAEYIEZOPQC-NRFANRHFSA-N 1 1 377.488 2.481 1 0 GEAFMO COc1ccc2nccc([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](C)CC3)c2c1 ZINC000084733098 211173868 /nfs/dbraw/zinc/17/38/68/211173868.db2.gz BYLGZIMWJBQUKH-IBGZPJMESA-N 1 1 395.511 2.322 1 0 GEAFMO C[NH+]1CC2(C1)CNC(=O)c1c3c([nH]c12)-c1cc(-c2ccc(F)nc2)ncc1CC3 ZINC000072110060 211070225 /nfs/dbraw/zinc/07/02/25/211070225.db2.gz PSLJFZFZLOVUSG-UHFFFAOYSA-N 1 1 389.434 2.303 1 0 GEAFMO O=C1O[C@H](c2ccccc2)C(=O)N1CC[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000103208203 136190960 /nfs/dbraw/zinc/19/09/60/136190960.db2.gz KETPUGGJDNEUHK-LJQANCHMSA-N 1 1 381.432 2.234 1 0 GEAFMO COc1cccc2c1CC[C@H]1C[N@@H+](CCn3c(=O)[nH]c4cscc4c3=O)C[C@@H]21 ZINC000013863021 210096332 /nfs/dbraw/zinc/09/63/32/210096332.db2.gz QOFCJVQVURHXTF-XJKSGUPXSA-N 1 1 397.500 2.422 1 0 GEAFMO COc1cc2[nH+]c(N3CCN(C(=O)c4ccco4)[C@H](C)C3)nc(N)c2cc1OC ZINC000013826090 210093540 /nfs/dbraw/zinc/09/35/40/210093540.db2.gz IFHSATYJNUJCGC-GFCCVEGCSA-N 1 1 397.435 2.173 1 0 GEAFMO CN(C)C(=O)[C@H]1C[C@H](Nc2nc(-c3ccccc3O)nc3ccccc32)C[NH2+]1 ZINC000084489107 211169054 /nfs/dbraw/zinc/16/90/54/211169054.db2.gz UQMQLMUUUGBCKS-SUMWQHHRSA-N 1 1 377.448 2.233 1 0 GEAFMO CC[C@@H]1[C@H]2CCCC[N@@H+]3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@@]23[C@@H]2[C@H]1OC(=O)[C@@]2(C)O ZINC000070454818 211039685 /nfs/dbraw/zinc/03/96/85/211039685.db2.gz SVSUKQDSRBZWNP-ASEVHZGESA-N 1 1 391.508 2.274 1 0 biogenic,in-vitro GEAFMO Cc1ccn(CC(=O)N2CCc3cc(-c4cn(C)c5nc[nH+]c(N)c45)ccc32)n1 ZINC000096285837 211330832 /nfs/dbraw/zinc/33/08/32/211330832.db2.gz HJXSOEITHNLYIC-UHFFFAOYSA-N 1 1 387.447 2.312 1 0 GEAFMO COc1ccc(C(=O)NCC2([NH+]3CCN(C)CC3)Cc3ccccc3C2)cc1 ZINC000072180153 211081926 /nfs/dbraw/zinc/08/19/26/211081926.db2.gz CWDHNRALFIFGHZ-UHFFFAOYSA-N 1 1 379.504 2.210 1 0 GEAFMO CNC(=O)c1ccc(N2CC[NH+](Cc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1 ZINC000068246986 211033509 /nfs/dbraw/zinc/03/35/09/211033509.db2.gz WUMWUCZSMPMERM-HNNXBMFYSA-N 1 1 394.475 2.088 1 0 GEAFMO Cn1nc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c2ccccc2c1=O ZINC000011839847 221131177 /nfs/dbraw/zinc/13/11/77/221131177.db2.gz FUHGPYHKIWIXDB-INIZCTEOSA-N 1 1 394.450 2.467 3 0 GEAFMO Cn1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c2ccccc2c1=O ZINC000011839847 221131179 /nfs/dbraw/zinc/13/11/79/221131179.db2.gz FUHGPYHKIWIXDB-INIZCTEOSA-N 1 1 394.450 2.467 3 0 GEAFMO COc1cc2[nH+]c(N3CCN(C(=O)c4ccco4)C[C@H]3C)nc(N)c2cc1OC ZINC000013826094 210094180 /nfs/dbraw/zinc/09/41/80/210094180.db2.gz YLGRQWZHMWAOBT-GFCCVEGCSA-N 1 1 397.435 2.173 1 0 GEAFMO CC(C)(C)[NH2+]C[C@H](O)COc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 ZINC000013446515 210061087 /nfs/dbraw/zinc/06/10/87/210061087.db2.gz IIRVBYOIXYNPRC-JTQLQIEISA-N 1 1 375.300 2.492 1 0 GEAFMO COc1ccc(C[N@@H+]2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@@H]2C)cc1 ZINC000084712090 211174607 /nfs/dbraw/zinc/17/46/07/211174607.db2.gz OHGVAKYXNZTDPQ-ZDUSSCGKSA-N 1 1 392.477 2.233 1 0 GEAFMO COc1ccc(C[N@H+]2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@@H]2C)cc1 ZINC000084712090 211174610 /nfs/dbraw/zinc/17/46/10/211174610.db2.gz OHGVAKYXNZTDPQ-ZDUSSCGKSA-N 1 1 392.477 2.233 1 0 GEAFMO CC[C@@H]1C2=C3[N@H+](CCCC2)[C@H]([C@@H]2C[C@H](C)C(=O)O2)C[C@@]32OC(=O)[C@@H](C)[C@H]2[C@H]1O ZINC000103565563 291114371 /nfs/dbraw/zinc/11/43/71/291114371.db2.gz AQNPGXKKPJKNFG-PXEDUFHISA-N 1 1 389.492 2.399 1 0 biogenic,in-vitro GEAFMO COc1ccc2nccc([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](C)CC3)c2c1 ZINC000084733092 211174864 /nfs/dbraw/zinc/17/48/64/211174864.db2.gz BYLGZIMWJBQUKH-LJQANCHMSA-N 1 1 395.511 2.322 1 0 GEAFMO CC[C@@H]1[C@H]2CCCC[N@@H+]3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@]23[C@H]2[C@@H]1OC(=O)[C@@]2(C)O ZINC000070454817 211040597 /nfs/dbraw/zinc/04/05/97/211040597.db2.gz SVSUKQDSRBZWNP-MYKAZKENSA-N 1 1 391.508 2.274 1 0 biogenic,in-vitro GEAFMO C[NH+]1CC2(C1)CNC(=O)c1c3c([nH]c12)-c1nc(-c2ccccc2F)ncc1CC3 ZINC000072107305 222206251 /nfs/dbraw/zinc/20/62/51/222206251.db2.gz WZCAUTBYHZBYBT-UHFFFAOYSA-N 1 1 389.434 2.303 1 0 GEAFMO O=C1NCCN1c1ccc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)cc1 ZINC000019226850 210233135 /nfs/dbraw/zinc/23/31/35/210233135.db2.gz UORDPQUSPJVMHX-OAQYLSRUSA-N 1 1 386.540 2.418 3 0 GEAFMO COc1cccc(C[N@@H+]2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@@H]2C)c1 ZINC000084712086 211174617 /nfs/dbraw/zinc/17/46/17/211174617.db2.gz XBYPYYJZAJXDOK-ZDUSSCGKSA-N 1 1 392.477 2.233 1 0 GEAFMO COc1cccc(C[N@H+]2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@@H]2C)c1 ZINC000084712086 211174621 /nfs/dbraw/zinc/17/46/21/211174621.db2.gz XBYPYYJZAJXDOK-ZDUSSCGKSA-N 1 1 392.477 2.233 1 0 GEAFMO COc1ccccc1C[N@@H+]1Cc2cc(OC)c(OS(N)(=O)=O)cc2C[C@H]1C ZINC000084726539 211174129 /nfs/dbraw/zinc/17/41/29/211174129.db2.gz FPCJLRWQQOFPIG-CYBMUJFWSA-N 1 1 392.477 2.233 1 0 GEAFMO COc1ccccc1C[N@H+]1Cc2cc(OC)c(OS(N)(=O)=O)cc2C[C@H]1C ZINC000084726539 211174132 /nfs/dbraw/zinc/17/41/32/211174132.db2.gz FPCJLRWQQOFPIG-CYBMUJFWSA-N 1 1 392.477 2.233 1 0 GEAFMO CCCCNC(=O)OC[C@@H](O)Cn1cc(C[N@@H+](C)CC2CCCCC2)nn1 ZINC000082153251 211164368 /nfs/dbraw/zinc/16/43/68/211164368.db2.gz GJFPCYAMHJJUHN-SFHVURJKSA-N 1 1 381.521 2.177 1 0 GEAFMO C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000084731050 534493400 /nfs/dbraw/zinc/49/34/00/534493400.db2.gz KFEJNIOLFTZKGK-UHFFFAOYSA-N 1 1 386.477 2.025 1 0 GEAFMO CC[C@]12CC(C(=O)OC)=C3Nc4cc(OC)ccc4[C@]34CC[N@@H+](C[C@H]3O[C@H]31)[C@H]42 ZINC000085511412 291114766 /nfs/dbraw/zinc/11/47/66/291114766.db2.gz YKTXUUJZENEUGL-XHCHQYRPSA-N 1 1 382.460 2.441 1 0 biogenic,in-vitro GEAFMO COc1cc(C(=O)O[C@@H]2C[C@@H]3C[C@@H](OC(C)=O)[C@H](C2)[N@H+]3C)cc(OC)c1OC ZINC000095911398 291115597 /nfs/dbraw/zinc/11/55/97/291115597.db2.gz WJICHKNOWJBIKJ-LVQVYYBASA-N 1 1 393.436 2.036 1 0 biogenic,in-vitro GEAFMO 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 ZINC000005748736 212117195 /nfs/dbraw/zinc/11/71/95/212117195.db2.gz SRKHGHLMEDVZRX-CHWCZTQMSA-N 1 1 398.459 2.071 1 0 GEAFMO COc1ccc(C(=O)NCC[N@H+]2Cc3cc(C)ccc3O[C@H](C)C2)c(OC)n1 ZINC000012047471 221144903 /nfs/dbraw/zinc/14/49/03/221144903.db2.gz PLCPPCFDVSOWKS-OAHLLOKOSA-N 1 1 385.464 2.420 1 0 GEAFMO COc1ccc(C(=O)NCC[N@@H+]2Cc3cc(C)ccc3O[C@H](C)C2)c(OC)n1 ZINC000012047471 221144907 /nfs/dbraw/zinc/14/49/07/221144907.db2.gz PLCPPCFDVSOWKS-OAHLLOKOSA-N 1 1 385.464 2.420 1 0 GEAFMO COCC[C@H]1C[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@](C(=O)OCCO)(C2)[C@H]13 ZINC000013522296 221270601 /nfs/dbraw/zinc/27/06/01/221270601.db2.gz VOCSICAFSPBNRT-RUHLTRSKSA-N 1 1 398.503 2.244 1 0 in-vivo GEAFMO Oc1cc2c(cc1F)[C@H](O)[C@H]([NH+]1CCC(O)(c3ccc(F)cc3)CC1)CO2 ZINC000013779268 221288277 /nfs/dbraw/zinc/28/82/77/221288277.db2.gz YSCGCOIEFKMGTK-APWZRJJASA-N 1 1 377.387 2.448 1 0 GEAFMO C[NH+]1CCN(C2=Nc3ccccc3Oc3ccc(OS(C)(=O)=O)cc32)CC1 ZINC000013798272 221289024 /nfs/dbraw/zinc/28/90/24/221289024.db2.gz LUZGPEPGAGXEQF-UHFFFAOYSA-N 1 1 387.461 2.456 1 0 GEAFMO COc1cccc2c1CC[C@H]1C[N@@H+](CCn3c(=O)[nH]c4ccncc4c3=O)C[C@@H]21 ZINC000013863025 221291494 /nfs/dbraw/zinc/29/14/94/221291494.db2.gz KRBXRJXSCYGFMO-KBXCAEBGSA-N 1 1 392.459 2.168 1 0 GEAFMO CC(C)[C@](C)(O)[C@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc43)n2)CC[NH2+]1 ZINC000095585675 535286406 /nfs/dbraw/zinc/28/64/06/535286406.db2.gz PDSONWYECZHBAE-QRWLVFNGSA-N 1 1 384.459 2.344 1 0 GEAFMO COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2C[N@H+]3CC[C@H]4c5c(cccc5OC)N[C@H]4[C@H]3C[C@@H]21 ZINC000095913572 291115180 /nfs/dbraw/zinc/11/51/80/291115180.db2.gz WHOUHQRGRVIKFB-OHLIODBNSA-N 1 1 386.492 2.227 1 0 biogenic,in-vitro GEAFMO COc1ccccc1C(=O)NCC1([NH+]2CCN(C)CC2)Cc2ccccc2C1 ZINC000072180360 222216231 /nfs/dbraw/zinc/21/62/31/222216231.db2.gz DHAOKOHKXTXQSE-UHFFFAOYSA-N 1 1 379.504 2.210 1 0 GEAFMO CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2C2=C3[N@@H+](CCCC[C@@]31O)[C@H]([C@@H]1C[C@H](C)C(=O)O1)C2 ZINC000103571220 291114772 /nfs/dbraw/zinc/11/47/72/291114772.db2.gz FXLCCDTUQJLMJF-NHCUBNPASA-N 1 1 389.492 2.399 1 0 biogenic,in-vitro GEAFMO COC(=O)[C@@]12CC[C@]3(C=CC[N@H+]4CC[C@@]5(c6cccc(OC)c6N[C@@]15O)[C@@H]43)C2 ZINC000095912646 291115278 /nfs/dbraw/zinc/11/52/78/291115278.db2.gz SKAAIQIJEHWIFO-AOIWZFSPSA-N 1 1 382.460 2.035 1 0 biogenic,in-vitro GEAFMO COC(=O)C1=C2Nc3cc(OC)c(O)cc3[C@@]23CC[N@H+]2CC[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000040972906 212118596 /nfs/dbraw/zinc/11/85/96/212118596.db2.gz LZVMXRSCSWSPDH-MVWVFHAYSA-N 1 1 398.459 2.148 1 0 in-vitro GEAFMO COc1ccccc1N1CC[NH+](C[C@@H]2CNc3nc4ccccc4c(=O)n32)CC1 ZINC000013780700 221288190 /nfs/dbraw/zinc/28/81/90/221288190.db2.gz NTKYUOSZJNOSKS-INIZCTEOSA-N 1 1 391.475 2.123 1 0 GEAFMO COC(=O)CN1CCC(n2cc(-c3cccc(O)c3)c3c2nc[nH+]c3N)CC1 ZINC000049952401 222002934 /nfs/dbraw/zinc/00/29/34/222002934.db2.gz HKBVCGJVIFGBEX-UHFFFAOYSA-N 1 1 381.436 2.196 1 0 GEAFMO CNC(=O)c1ccc(N2CC[NH+](Cc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1 ZINC000068246985 222170652 /nfs/dbraw/zinc/17/06/52/222170652.db2.gz WUMWUCZSMPMERM-OAHLLOKOSA-N 1 1 394.475 2.088 1 0 GEAFMO O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CCc2ccccc2)[C@H]1O5 ZINC000095753005 222359061 /nfs/dbraw/zinc/35/90/61/222359061.db2.gz NDHIGBQXQCVRAU-QLBRKBSLSA-N 1 1 391.467 2.358 1 0 GEAFMO CC[C@]12CC(C(=O)OC)=C3Nc4cc(OC)ccc4[C@@]34CC[N@@H+](C[C@H]3O[C@H]31)[C@H]42 ZINC000085511410 291114762 /nfs/dbraw/zinc/11/47/62/291114762.db2.gz YKTXUUJZENEUGL-GKADJBRLSA-N 1 1 382.460 2.441 1 0 biogenic,in-vitro GEAFMO CNC(=[NH2+])N[C@H](C)CCCC(=O)C=C(O)CCc1ccc(O)c2c1CCCO2 ZINC000085627185 291115164 /nfs/dbraw/zinc/11/51/64/291115164.db2.gz GYPJZJOTACPYQA-CQSZACIVSA-N 1 1 389.496 2.481 1 0 biogenic,in-vitro GEAFMO Cc1cccc(C[NH+]2CCN([C@@H]3CN(C4CCCC4)S(=O)(=O)C3)CC2)c1 ZINC000072104227 222205949 /nfs/dbraw/zinc/20/59/49/222205949.db2.gz MXVKJVOYGJEBRO-HXUWFJFHSA-N 1 1 377.554 2.069 3 0 GEAFMO C[NH+]1CC2(C1)CNC(=O)c1c3c([nH]c12)-c1nc(-c2cccc(F)c2)ncc1CC3 ZINC000072107952 222206273 /nfs/dbraw/zinc/20/62/73/222206273.db2.gz GVYMKFWWTKMJSR-UHFFFAOYSA-N 1 1 389.434 2.303 1 0 GEAFMO COc1ccc(C[NH+]2CCN(c3nn4nnnc4c4ccccc43)CC2)cc1 ZINC000169312431 136197088 /nfs/dbraw/zinc/19/70/88/136197088.db2.gz CPWBDKKRJSIMPE-UHFFFAOYSA-N 1 1 375.436 2.003 1 0 GEAFMO Cc1cccc(C[NH+]2CCN([C@@H]3CN(C4CCCCC4)S(=O)(=O)C3)CC2)c1 ZINC000072138644 222210960 /nfs/dbraw/zinc/21/09/60/222210960.db2.gz GFZSJQAITMYLIK-OAQYLSRUSA-N 1 1 391.581 2.459 3 0 GEAFMO Cc1cccc(C[NH+]2CCN([C@@H]3CN(Cc4ccccc4)S(=O)(=O)C3)CC2)c1 ZINC000095599825 222357922 /nfs/dbraw/zinc/35/79/22/222357922.db2.gz FKQXGOYENCPCNI-JOCHJYFZSA-N 1 1 399.560 2.327 3 0 GEAFMO Nc1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]3CC1CC1)[C@H]2O5 ZINC000013487524 221270521 /nfs/dbraw/zinc/27/05/21/221270521.db2.gz YDPDYJPVIDRZBN-LMDOGRNLSA-N 1 1 391.471 2.069 1 0 GEAFMO COCCS(=O)(=O)N1CCC[C@@H]2C[N@H+]3CCc4cc(OC)ccc4[C@@H]3C[C@@H]21 ZINC000013820233 221290420 /nfs/dbraw/zinc/29/04/20/221290420.db2.gz GXTRFXMPHALEIX-UXPWSPDFSA-N 1 1 394.537 2.055 1 0 GEAFMO O=C(c1ccccc1)C1CC[NH+](CCn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000013731465 221285635 /nfs/dbraw/zinc/28/56/35/221285635.db2.gz JPMWRBAWKLVCAJ-UHFFFAOYSA-N 1 1 377.444 2.285 1 0 GEAFMO Cc1cccc(C[NH+]2CCN([C@H]3CN(C4CCCC4)S(=O)(=O)C3)CC2)c1 ZINC000072104228 222205680 /nfs/dbraw/zinc/20/56/80/222205680.db2.gz MXVKJVOYGJEBRO-FQEVSTJZSA-N 1 1 377.554 2.069 3 0 GEAFMO CC[C@@H]1[C@@H]2OC(=O)[C@H](C)C2=C2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)[N@H+]3CCCCC(=O)[C@]213 ZINC000085541403 291114769 /nfs/dbraw/zinc/11/47/69/291114769.db2.gz AZQNIKXQKXTZDF-LHYOHPDKSA-N 1 1 387.476 2.402 1 0 biogenic,in-vitro GEAFMO Cn1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c2ccccc2c1=O ZINC000011839846 221130988 /nfs/dbraw/zinc/13/09/88/221130988.db2.gz FUHGPYHKIWIXDB-MRXNPFEDSA-N 1 1 394.450 2.467 3 0 GEAFMO Cn1nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c2ccccc2c1=O ZINC000011839846 221130989 /nfs/dbraw/zinc/13/09/89/221130989.db2.gz FUHGPYHKIWIXDB-MRXNPFEDSA-N 1 1 394.450 2.467 3 0 GEAFMO O=C(C1CCN(C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1)N1CCOCC1 ZINC000013593968 221275719 /nfs/dbraw/zinc/27/57/19/221275719.db2.gz GXWUSJPGQQWXEK-IBGZPJMESA-N 1 1 375.557 2.378 3 0 GEAFMO Oc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000013487529 221270302 /nfs/dbraw/zinc/27/03/02/221270302.db2.gz UUKFYSADJMUSTK-LMDOGRNLSA-N 1 1 376.456 2.486 1 0 GEAFMO COc1cc2c(cc1OC)[C@@H]1C[C@H]3[C@H](CCCN3S(C)(=O)=O)C[N@H+]1[C@@H](C)C2 ZINC000013820247 221290309 /nfs/dbraw/zinc/29/03/09/221290309.db2.gz SQUYVGWOAPFRMA-DACLVMHWSA-N 1 1 394.537 2.435 1 0 GEAFMO COc1cccc2c1CC[C@H]1C[N@@H+](CCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]21 ZINC000013863013 221292416 /nfs/dbraw/zinc/29/24/16/221292416.db2.gz CAEZRWQRXPFXAO-XJKSGUPXSA-N 1 1 397.500 2.422 1 0 GEAFMO CC(C)[C@@](C)(O)[C@@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc43)n2)CC[NH2+]1 ZINC000095585317 136182370 /nfs/dbraw/zinc/18/23/70/136182370.db2.gz PDSONWYECZHBAE-MGPUTAFESA-N 1 1 384.459 2.344 1 0 GEAFMO O=C1O[C@@H](c2ccccc2)C(=O)N1CC[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000103208205 136190954 /nfs/dbraw/zinc/19/09/54/136190954.db2.gz KETPUGGJDNEUHK-IBGZPJMESA-N 1 1 381.432 2.234 1 0 GEAFMO C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)C[NH+](C)C)OCO3 ZINC000025987497 221635623 /nfs/dbraw/zinc/63/56/23/221635623.db2.gz VEVUOGVEZTZYQB-ZDUSSCGKSA-N 1 1 380.448 2.085 1 0 GEAFMO CC(C)CC[N@H+](C)Cc1cn(C[C@@H](O)COC(=O)NCc2ccccc2)nn1 ZINC000082155436 222309899 /nfs/dbraw/zinc/30/98/99/222309899.db2.gz DNUUBMUPAYOZIJ-LJQANCHMSA-N 1 1 389.500 2.043 1 0 GEAFMO CC(C)CC[N@@H+](C)Cc1cn(C[C@@H](O)COC(=O)NCc2ccccc2)nn1 ZINC000082155436 222309901 /nfs/dbraw/zinc/30/99/01/222309901.db2.gz DNUUBMUPAYOZIJ-LJQANCHMSA-N 1 1 389.500 2.043 1 0 GEAFMO CC[C@H](C)[C@@H](OC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000096903582 222428655 /nfs/dbraw/zinc/42/86/55/222428655.db2.gz KBTKFANUSQUABR-CAOSSQGBSA-N 1 1 386.533 2.410 1 0 GEAFMO CCNc1ccc[nH+]c1N1CCN(C(=O)c2ccc(C(=O)NC(C)C)cn2)CC1 ZINC000001483662 212247444 /nfs/dbraw/zinc/24/74/44/212247444.db2.gz YIJZNLBJNNYYGP-UHFFFAOYSA-N 1 1 396.495 2.009 1 0 GEAFMO COc1cccc2c1CC[C@H]1C[N@@H+](CCn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]21 ZINC000013863028 221291564 /nfs/dbraw/zinc/29/15/64/221291564.db2.gz QYTLWWWPYDZRAG-HNAYVOBHSA-N 1 1 391.471 2.360 1 0 GEAFMO COc1cccc2c1CC[C@H]1C[N@@H+](CCn3c(=O)[nH]c4cccnc4c3=O)C[C@@H]21 ZINC000013863026 221291574 /nfs/dbraw/zinc/29/15/74/221291574.db2.gz UUWKLRJOWBMKIO-WMLDXEAASA-N 1 1 392.459 2.168 1 0 GEAFMO