smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1ccccc1)[C@H]1[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)O[C@@H](CO)[C@H]1O ZINC000030879661 291333105 /nfs/dbraw/zinc/33/31/05/291333105.db2.gz NZGQZEPGVHMYQD-FUMNGEBKSA-N 1 0 438.446 2.056 40 0 biogenic,in-vitro IEABRO CN(C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000003841946 291332447 /nfs/dbraw/zinc/33/24/47/291332447.db2.gz PVENJHYCYOOJPY-ZWKOTPCHSA-N 1 0 433.556 2.459 40 0 biogenic,in-vitro IEABRO COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](C[NH2+]C4CCN(C(C)=O)CC4)O3)no2)cc1 ZINC000077263304 291334879 /nfs/dbraw/zinc/33/48/79/291334879.db2.gz UOMOYNOKVQBQAV-WPFOTENUSA-N 1 0 443.544 2.402 40 0 biogenic,in-vitro IEABRO COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH2+][C@@H]4CCC[C@@H](C)C4)[C@@H](O)[C@H]3O2)cc1 ZINC000225512758 291335524 /nfs/dbraw/zinc/33/55/24/291335524.db2.gz DCWNLFIHGAMSMK-NQMYJEJVSA-N 1 0 432.561 2.156 40 0 biogenic,in-vitro IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(F)cc3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020674752 521093648 /nfs/dbraw/zinc/09/36/48/521093648.db2.gz YLXNIKMINVGLMS-PMACEKPBSA-N 1 0 442.466 2.493 40 0 IEABRO CC[NH+]1CCN(CC(=O)N2CCc3c4ccccc4[nH]c3[C@]23c2ccccc2NC3=O)CC1 ZINC000020636515 521675024 /nfs/dbraw/zinc/67/50/24/521675024.db2.gz XDTIYURVFSMNIQ-SANMLTNESA-N 1 0 443.551 2.386 40 0 IEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000022532187 523166531 /nfs/dbraw/zinc/16/65/31/523166531.db2.gz MYUSUXHKAZCNSV-QGZVFWFLSA-N 1 0 428.574 2.209 40 0 IEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020452217 523171534 /nfs/dbraw/zinc/17/15/34/523171534.db2.gz KHTRKHROJVSFBI-OAQYLSRUSA-N 1 0 437.606 2.233 40 0 IEABRO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CC[NH+](C)CC3)ccc2C)c1 ZINC000022822128 524689919 /nfs/dbraw/zinc/68/99/19/524689919.db2.gz DFIZZZQQSATDBD-UHFFFAOYSA-N 1 0 444.601 2.472 40 0 IEABRO COc1cc([C@H]2c3cc4c(cc3[C@@H](OCC[NH3+])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000005811491 556067038 /nfs/dbraw/zinc/06/70/38/556067038.db2.gz AVQJGWBIRNZWFE-ROZPXGAXSA-N 1 0 443.452 2.089 40 0 IEABRO C[N@@H+]1[C@@H]2CCN(Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCc2ccccc21 ZINC000022922726 556341418 /nfs/dbraw/zinc/34/14/18/556341418.db2.gz PWEMAMTYRCBRTQ-PWWKTKHKSA-N 1 0 432.568 2.429 40 0 biogenic,in-vitro IEABRO Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)on1 ZINC000012184481 556402708 /nfs/dbraw/zinc/40/27/08/556402708.db2.gz OXPJPMSMERSAOG-QGZVFWFLSA-N 1 0 449.563 2.256 40 0 IEABRO CCOc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1 ZINC000013671906 556552354 /nfs/dbraw/zinc/55/23/54/556552354.db2.gz YKMJYWQRDFTHST-SFHVURJKSA-N 1 0 425.595 2.478 40 0 IEABRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)CC1 ZINC000033158308 556556448 /nfs/dbraw/zinc/55/64/48/556556448.db2.gz FVNQWLVOSLSWJX-IBGZPJMESA-N 1 0 442.585 2.478 40 0 IEABRO CS(=O)(=O)N1C[C@@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)Oc2ccccc21 ZINC000038831818 556622087 /nfs/dbraw/zinc/62/20/87/556622087.db2.gz IQMSCCMCIKMKMK-NRFANRHFSA-N 1 0 429.542 2.126 40 0 IEABRO COc1ccccc1-c1c2c(ccn(CCCN3CC[NH+](C)CC3)c2=O)nc2nc(C)nn21 ZINC000040398461 556640271 /nfs/dbraw/zinc/64/02/71/556640271.db2.gz WRZPTKXDOMIOHW-UHFFFAOYSA-N 1 0 447.543 2.061 40 0 IEABRO COc1cccc(-c2c3c(ccn(CCCN4CC[NH+](C)CC4)c3=O)nc3nc(C)nn32)c1 ZINC000040398522 556640312 /nfs/dbraw/zinc/64/03/12/556640312.db2.gz SMLBQDRRGSIAAY-UHFFFAOYSA-N 1 0 447.543 2.061 40 0 IEABRO CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000044872297 556673405 /nfs/dbraw/zinc/67/34/05/556673405.db2.gz ZUIOAUQNWHIRKD-UHFFFAOYSA-N 1 0 448.564 2.351 40 0 IEABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC1)N2 ZINC000019128344 556703728 /nfs/dbraw/zinc/70/37/28/556703728.db2.gz JJWQLALXDWHPND-FHLIZLRMSA-N 1 0 425.524 2.389 40 0 IEABRO Cc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCC(O)CC3)CC2)on1 ZINC000257323272 556704507 /nfs/dbraw/zinc/70/45/07/556704507.db2.gz WJLNYKWDPRZLJH-HFMPRLQTSA-N 1 0 427.545 2.411 40 0 IEABRO Cc1nn(C)cc1C(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257248680 556711452 /nfs/dbraw/zinc/71/14/52/556711452.db2.gz JETGJEUVKOEYSB-WPFOTENUSA-N 1 0 426.561 2.032 40 0 IEABRO Cc1nc(N2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3cccnc3)C2)cc(N)[nH+]1 ZINC000019240913 556726646 /nfs/dbraw/zinc/72/66/46/556726646.db2.gz MIQKPJLANBAZPW-GOSISDBHSA-N 1 0 432.532 2.440 40 0 IEABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)c3cccs3)CC4)C2)cn1 ZINC000019290683 556730901 /nfs/dbraw/zinc/73/09/01/556730901.db2.gz UEPCTNKWLSYJKH-MRXNPFEDSA-N 1 0 438.557 2.143 40 0 IEABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CC[N@H+](Cc4ccccn4)C3)nc2C1 ZINC000019347691 556743513 /nfs/dbraw/zinc/74/35/13/556743513.db2.gz YNHKFVKFUIEBJX-MRXNPFEDSA-N 1 0 433.487 2.492 40 0 IEABRO O=C(Cc1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019348119 556743740 /nfs/dbraw/zinc/74/37/40/556743740.db2.gz SZHGINGLXVLUIE-OAQYLSRUSA-N 1 0 440.519 2.352 40 0 IEABRO O=C(O[C@H]1C2CC[NH+](CC2)[C@@H]1CN1CCOCC1)[C@](O)(c1ccccc1)C1CCCC1 ZINC000019366221 556746101 /nfs/dbraw/zinc/74/61/01/556746101.db2.gz HUNNPEGZZSIPJQ-CUYJMHBOSA-N 1 0 428.573 2.403 40 0 IEABRO COc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1OC ZINC000019448255 556757458 /nfs/dbraw/zinc/75/74/58/556757458.db2.gz WFVLGALOKATVNI-IBGZPJMESA-N 1 0 440.544 2.460 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@H](C(=O)NC(C)C)C[N@@H+]3C)CC2)cc1F ZINC000019449762 556760674 /nfs/dbraw/zinc/76/06/74/556760674.db2.gz LCVYUFBTBAOGQV-LPHOPBHVSA-N 1 0 441.569 2.080 40 0 IEABRO CCN(CC)S(=O)(=O)N1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019526472 556784476 /nfs/dbraw/zinc/78/44/76/556784476.db2.gz IRDXAJGKRFBOLH-UHFFFAOYSA-N 1 0 437.606 2.481 40 0 IEABRO CCOCc1cc(C[N@@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)ccc1OC ZINC000019531185 556791791 /nfs/dbraw/zinc/79/17/91/556791791.db2.gz ICWPOCVEVSKHER-UHFFFAOYSA-N 1 0 428.533 2.165 40 0 IEABRO CCOc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)ccc1OC ZINC000019531980 556792235 /nfs/dbraw/zinc/79/22/35/556792235.db2.gz JHXPUTRDRVCNBH-SFHVURJKSA-N 1 0 428.533 2.393 40 0 IEABRO CSCC[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000208474946 556808803 /nfs/dbraw/zinc/80/88/03/556808803.db2.gz WIBGGHJXPAPRSW-GOSISDBHSA-N 1 0 445.564 2.064 40 0 IEABRO COc1ccc2c(c1)C=C(C(=O)N1CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C1)CO2 ZINC000019590214 556825305 /nfs/dbraw/zinc/82/53/05/556825305.db2.gz VLERZGFULWJPFQ-HNNXBMFYSA-N 1 0 436.512 2.361 40 0 IEABRO COCc1ccc(OC)c(C[NH+]2CCC(c3n[nH]cc3C(=O)N3CCOCC3)CC2)c1 ZINC000019594334 556830123 /nfs/dbraw/zinc/83/01/23/556830123.db2.gz FPXZCLOKDIKDFW-UHFFFAOYSA-N 1 0 428.533 2.417 40 0 IEABRO O=C(C[NH+]1CCCCCC1)N1CCO[C@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697652 556855302 /nfs/dbraw/zinc/85/53/02/556855302.db2.gz WKHKVOUCFMMIKG-SFHVURJKSA-N 1 0 445.585 2.399 40 0 IEABRO COc1ccc(C(=O)N2CCC[C@@H](N3C(=O)NC4(CC[NH+](C(C)C)CC4)C3=O)C2)cc1 ZINC000019699834 556859722 /nfs/dbraw/zinc/85/97/22/556859722.db2.gz OEVHMCBWAHGUPR-GOSISDBHSA-N 1 0 428.533 2.095 40 0 IEABRO COc1cc(C)c(C)cc1S(=O)(=O)N(C)Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)C)n1 ZINC000019710039 556871807 /nfs/dbraw/zinc/87/18/07/556871807.db2.gz RGKAHPMPWYEHTM-QGZVFWFLSA-N 1 0 447.605 2.456 40 0 IEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CCN(S(=O)(=O)c1ccc(OC)cc1)C2 ZINC000019710677 556874266 /nfs/dbraw/zinc/87/42/66/556874266.db2.gz GUCOQHLAFLXWRC-UHFFFAOYSA-N 1 0 431.562 2.083 40 0 IEABRO Cc1nc([C@H]2CCCN(C(=O)C[NH+](C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F ZINC000019743744 556888640 /nfs/dbraw/zinc/88/86/40/556888640.db2.gz FWDTXMNIDMCDDV-SFHVURJKSA-N 1 0 439.535 2.324 40 0 IEABRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 ZINC000019745095 556891844 /nfs/dbraw/zinc/89/18/44/556891844.db2.gz GNORTELEMCHWNH-GFCCVEGCSA-N 1 0 440.470 2.233 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(OC)c(OC)c1 ZINC000019818069 556920616 /nfs/dbraw/zinc/92/06/16/556920616.db2.gz GSEOROMSUQVCRU-NHCUHLMSSA-N 1 0 437.496 2.468 40 0 IEABRO COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)C2(O)CC[NH+](C)CC2)C1 ZINC000072352317 556923956 /nfs/dbraw/zinc/92/39/56/556923956.db2.gz HWMJBVHPZWJXLA-MRXNPFEDSA-N 1 0 445.585 2.050 40 0 IEABRO CN1CCCC[C@@H](C2CC[NH+](CC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)C1=O ZINC000072372044 556941560 /nfs/dbraw/zinc/94/15/60/556941560.db2.gz ACAXANFCWLBENP-QFIPXVFZSA-N 1 0 430.568 2.445 40 0 IEABRO CN1CCCC[C@H](C2CC[NH+](CC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)C1=O ZINC000072372043 556941598 /nfs/dbraw/zinc/94/15/98/556941598.db2.gz ACAXANFCWLBENP-JOCHJYFZSA-N 1 0 430.568 2.445 40 0 IEABRO CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(C)c2)nc2c1C[NH2+]CC2 ZINC000072372307 556942227 /nfs/dbraw/zinc/94/22/27/556942227.db2.gz BKPDUPFXVMSNRO-SFHVURJKSA-N 1 0 431.562 2.397 40 0 IEABRO Cc1cccc(Nc2ccc(C3CC[NH+](CC(=O)N4CCC(C(N)=O)CC4)CC3)nc2)n1 ZINC000072374221 556947478 /nfs/dbraw/zinc/94/74/78/556947478.db2.gz ALICLLTYVKBCNS-UHFFFAOYSA-N 1 0 436.560 2.432 40 0 IEABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccnn4[C@H]4CCCCO4)C[C@H]32)c(OC)n1 ZINC000072392629 556963927 /nfs/dbraw/zinc/96/39/27/556963927.db2.gz VZNZLVZGEPVXTE-DJZBOODTSA-N 1 0 429.521 2.119 40 0 IEABRO C[C@@H](NC(=O)COc1ccccc1F)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000072394923 556966220 /nfs/dbraw/zinc/96/62/20/556966220.db2.gz XVGAMVDAZYBJSP-SJLPKXTDSA-N 1 0 429.492 2.061 40 0 IEABRO COCCC(=O)N1CCC(c2nc([C@H]3CCC[N@H+](CC4=CCCOC4)C3)cc(=O)[nH]2)CC1 ZINC000072399217 556971823 /nfs/dbraw/zinc/97/18/23/556971823.db2.gz ZXVBNRBIQZERKL-FQEVSTJZSA-N 1 0 444.576 2.039 40 0 IEABRO Cc1ccc(C)c(N(CC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)S(=O)(=O)N(C)C)c1 ZINC000020244337 557002305 /nfs/dbraw/zinc/00/23/05/557002305.db2.gz BJRKTSNAYRVUKC-RTBURBONSA-N 1 0 438.638 2.400 40 0 IEABRO Cc1ccc(CC(=O)N2CCO[C@@]3(C2)C(=O)N(CC[NH+](C)C)C[C@H]3c2ccccc2)cc1 ZINC000585106740 557040872 /nfs/dbraw/zinc/04/08/72/557040872.db2.gz HAJDXASMFRHZFM-JYFHCDHNSA-N 1 0 435.568 2.323 40 0 IEABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCCC3)C(=S)NCCOC)cc2c1 ZINC000006196625 557148991 /nfs/dbraw/zinc/14/89/91/557148991.db2.gz ONSAEGAYFGWPNS-UHFFFAOYSA-N 1 0 432.590 2.346 40 0 IEABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000006196616 557149049 /nfs/dbraw/zinc/14/90/49/557149049.db2.gz MHNINFMFLUGGMQ-IBGZPJMESA-N 1 0 432.590 2.344 40 0 IEABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)C=Cc2ccco2)c1 ZINC000021595777 557155217 /nfs/dbraw/zinc/15/52/17/557155217.db2.gz ZYMDGJNQJVJIAX-SOFGYWHQSA-N 1 0 428.514 2.344 40 0 IEABRO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccsc1)CCC2 ZINC000096056164 557167262 /nfs/dbraw/zinc/16/72/62/557167262.db2.gz PTLMZNMVNPSWDJ-UGKGYDQZSA-N 1 0 427.574 2.116 40 0 IEABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)s1 ZINC000096056168 557167580 /nfs/dbraw/zinc/16/75/80/557167580.db2.gz HFGDVICSVSCESR-CVDCTZTESA-N 1 0 441.601 2.424 40 0 IEABRO CCN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)N2CCCC2)CC3)C1=O ZINC000096144410 557172373 /nfs/dbraw/zinc/17/23/73/557172373.db2.gz PRNQZZXZUIVIIV-XMMPIXPASA-N 1 0 425.577 2.434 40 0 IEABRO Cn1c2cc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)n(S(C)(=O)=O)c2c2ccccc21 ZINC000096146263 557176613 /nfs/dbraw/zinc/17/66/13/557176613.db2.gz JBGDSHRJQRWFPD-UHFFFAOYSA-N 1 0 437.525 2.298 40 0 IEABRO CC(C)N1CC[N@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCC3CCOCC3)cn21 ZINC000096156798 557182061 /nfs/dbraw/zinc/18/20/61/557182061.db2.gz HSHDQEPGSKUZHL-OAQYLSRUSA-N 1 0 440.592 2.363 40 0 IEABRO CCc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NC[C@@H]2CCCO2)Cn2ccnc23)o1 ZINC000096243758 557187472 /nfs/dbraw/zinc/18/74/72/557187472.db2.gz ZZQAFMSPQOYOTQ-ICSRJNTNSA-N 1 0 428.533 2.224 40 0 IEABRO CCN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CCN(S(=O)(=O)CC(C)C)CC3)C1=O ZINC000096262673 557189893 /nfs/dbraw/zinc/18/98/93/557189893.db2.gz LSVYNPUKEJFRRD-HSZRJFAPSA-N 1 0 448.633 2.204 40 0 IEABRO COCCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+](C)Cc1ccc(OC)cc1 ZINC000585262445 557202283 /nfs/dbraw/zinc/20/22/83/557202283.db2.gz OCUYWQDVVPTMBY-HTDNTCHWSA-N 1 0 446.519 2.368 40 0 IEABRO COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000010279253 557213006 /nfs/dbraw/zinc/21/30/06/557213006.db2.gz JWXSIJAWHUBWFW-HNNXBMFYSA-N 1 0 431.986 2.495 40 0 IEABRO Cc1ccc(OC[C@@]2(O)C[N@H+](CC3(O)CCN(c4cccc(F)c4)CC3)CC[C@@H]2O)cc1 ZINC000585281850 557220114 /nfs/dbraw/zinc/22/01/14/557220114.db2.gz CLXLHKOAJMYXGJ-ZCYQVOJMSA-N 1 0 444.547 2.342 40 0 IEABRO CCOC(=O)N1CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)CC1 ZINC000585281825 557220159 /nfs/dbraw/zinc/22/01/59/557220159.db2.gz BPLLFMSVPCOAPB-FPOVZHCZSA-N 1 0 426.941 2.446 40 0 IEABRO CCOC(=O)N1CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)CC1 ZINC000585287178 557225472 /nfs/dbraw/zinc/22/54/72/557225472.db2.gz KFDOOKYHICSMNO-ICSRJNTNSA-N 1 0 430.904 2.277 40 0 IEABRO C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 ZINC000219271852 557235161 /nfs/dbraw/zinc/23/51/61/557235161.db2.gz VDMHDEPLXOXIGD-NRFANRHFSA-N 1 0 445.541 2.325 40 0 IEABRO COc1ccc(S(=O)(=O)NCCNc2ccc(Nc3cc[nH+]cc3)nn2)cc1OC ZINC000011697857 557235632 /nfs/dbraw/zinc/23/56/32/557235632.db2.gz WWNYNZPFEVERHS-UHFFFAOYSA-N 1 0 430.490 2.023 40 0 IEABRO Cc1ccccc1C[NH2+]C[C@H]1O[C@@H]2C[C@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@@H]1O ZINC000604381781 557236499 /nfs/dbraw/zinc/23/64/99/557236499.db2.gz ODGROWIYDDQDOP-MNEQBICUSA-N 1 0 428.504 2.216 40 0 biogenic,in-vitro IEABRO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CC[NH+](C)CC3)Oc3ccc(C)cc32)cc1 ZINC000219403012 557242473 /nfs/dbraw/zinc/24/24/73/557242473.db2.gz LDPPUHRKMYQABP-JOCHJYFZSA-N 1 0 443.569 2.470 40 0 IEABRO C[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)CC1 ZINC000113947468 557380722 /nfs/dbraw/zinc/38/07/22/557380722.db2.gz TWXGILNQXHDAFJ-UHFFFAOYSA-N 1 0 431.961 2.231 40 0 IEABRO COc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)cc1Cl ZINC000013648318 557381257 /nfs/dbraw/zinc/38/12/57/557381257.db2.gz NWOUGPGVJRDOIC-OAHLLOKOSA-N 1 0 431.986 2.495 40 0 IEABRO O=C(NCC[NH+]1CCCCC1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000026113424 557440230 /nfs/dbraw/zinc/44/02/30/557440230.db2.gz YRTJKCWLBXIGBZ-JOCHJYFZSA-N 1 0 443.569 2.386 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3OC)CC2)=[NH+][C@H]1c1ccccc1 ZINC000017100282 557488816 /nfs/dbraw/zinc/48/88/16/557488816.db2.gz JDOHYXNJOJZTRX-RTWAWAEBSA-N 1 0 436.512 2.224 40 0 IEABRO COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000224519647 557615655 /nfs/dbraw/zinc/61/56/55/557615655.db2.gz KDMNWUOUZSSLPZ-UHFFFAOYSA-N 1 0 431.558 2.228 40 0 IEABRO CN(C)S(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000224615945 557631341 /nfs/dbraw/zinc/63/13/41/557631341.db2.gz AWCQLAFTYGIFDO-UHFFFAOYSA-N 1 0 448.564 2.351 40 0 IEABRO Cc1ccc2c(c1)O[C@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)CN2S(C)(=O)=O ZINC000224625327 557632360 /nfs/dbraw/zinc/63/23/60/557632360.db2.gz BYSJHNHNGAFSSX-QFIPXVFZSA-N 1 0 443.569 2.434 40 0 IEABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000225212098 557700839 /nfs/dbraw/zinc/70/08/39/557700839.db2.gz BYPMINHKVLJGJV-MRXNPFEDSA-N 1 0 437.562 2.282 40 0 IEABRO Cc1cccc(N2CCC(O)(C[N@@H+]3CCOC[C@](O)(COc4ccccc4)C3)CC2)c1 ZINC000585287774 568619520 /nfs/dbraw/zinc/61/95/20/568619520.db2.gz RAIVCLYPSMPJEP-VWLOTQADSA-N 1 0 426.557 2.469 40 0 IEABRO Cc1ocnc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257205762 568667854 /nfs/dbraw/zinc/66/78/54/568667854.db2.gz BAMFHQKGKWUGDD-HFMPRLQTSA-N 1 0 427.545 2.411 40 0 IEABRO CC(C)(C)C1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)CCC(N)=O)CC1 ZINC000257220759 568674637 /nfs/dbraw/zinc/67/46/37/568674637.db2.gz DMAIMVNFNJXMDG-VKGYTVAMSA-N 1 0 449.567 2.215 40 0 IEABRO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@](O)(Cn3cccn3)C2)cc1NCc1cccnc1 ZINC000257249721 568688445 /nfs/dbraw/zinc/68/84/45/568688445.db2.gz JJMWOZUFSLDVLM-DEOSSOPVSA-N 1 0 434.544 2.018 40 0 IEABRO CCc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@@H]1CC[C@@H](N2CCN(C(C)=O)CC2)[C@@H]1O ZINC000257263962 568694945 /nfs/dbraw/zinc/69/49/45/568694945.db2.gz LSGRYHKPBMFEHD-MQSCRBSSSA-N 1 0 426.561 2.167 40 0 IEABRO CNC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)C[NH+]4CCC(C)CC4)CCO3)n2)cn1 ZINC000257278731 568701572 /nfs/dbraw/zinc/70/15/72/568701572.db2.gz ODKQZMVOIYGURR-QFIPXVFZSA-N 1 0 437.544 2.135 40 0 IEABRO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccc(OCCC[NH3+])c3)C2)c2cnccc2n1 ZINC000257280311 568702383 /nfs/dbraw/zinc/70/23/83/568702383.db2.gz OKIWQYBVXYUUGE-VWLOTQADSA-N 1 0 449.555 2.379 40 0 IEABRO C[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@H]3c3cncc(-n4ccnc4)n3)cc2)CC1 ZINC000257285450 568704764 /nfs/dbraw/zinc/70/47/64/568704764.db2.gz PHCSBGTVCDPUAE-QFIPXVFZSA-N 1 0 446.559 2.190 40 0 IEABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1ccc(=O)[nH]c1=O ZINC000257285741 568704802 /nfs/dbraw/zinc/70/48/02/568704802.db2.gz PIPIKWOERKBEKD-IKVZYYAVSA-N 1 0 436.556 2.424 40 0 IEABRO Cc1nn2c(nccc2[C@@H]2CN(C(=O)CC3CCCC3)CCO2)c1C[NH+]1CCC(O)CC1 ZINC000257291527 568707373 /nfs/dbraw/zinc/70/73/73/568707373.db2.gz QHJGGPUITBERBQ-QFIPXVFZSA-N 1 0 441.576 2.475 40 0 IEABRO [NH3+]CCCOc1ccc(C(=O)NCC2(O)CCN(c3ccnc4ccncc43)CC2)cc1 ZINC000257297403 568710190 /nfs/dbraw/zinc/71/01/90/568710190.db2.gz RHCXQVYJRFQUSL-UHFFFAOYSA-N 1 0 435.528 2.119 40 0 IEABRO Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(OCC[NH3+])cc3)C2)c2cnccc2n1 ZINC000257335130 568726658 /nfs/dbraw/zinc/72/66/58/568726658.db2.gz YIUMZZMNTAMVQY-DEOSSOPVSA-N 1 0 435.528 2.037 40 0 IEABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)CNC(=O)c1cncc(O)c1 ZINC000257339179 568728169 /nfs/dbraw/zinc/72/81/69/568728169.db2.gz ZAMUSCRAOMXNAS-YLYPHGCXSA-N 1 0 434.540 2.260 40 0 IEABRO Cc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCC(O)CC3)CC2)no1 ZINC000257341033 568729001 /nfs/dbraw/zinc/72/90/01/568729001.db2.gz ZIONTUBAJMNJMK-FIXSFTCYSA-N 1 0 427.545 2.411 40 0 IEABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@H+](Cc3cccc(Cl)c3)C2)cs1 ZINC000306123366 568762847 /nfs/dbraw/zinc/76/28/47/568762847.db2.gz ALFXJEOIJNIDMF-NRFANRHFSA-N 1 0 443.960 2.419 40 0 IEABRO COc1ccc(CN2CCO[C@]3(C[N@H+](Cc4cnn(C)c4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306125497 568763792 /nfs/dbraw/zinc/76/37/92/568763792.db2.gz CSOACUNZUPNPRK-NOZRDPDXSA-N 1 0 447.539 2.221 40 0 IEABRO COCCC(=O)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@H+](Cc2ccccc2)CC4)CC1 ZINC000306126845 568764469 /nfs/dbraw/zinc/76/44/69/568764469.db2.gz FGWMSZJGGBNKAT-UHFFFAOYSA-N 1 0 436.556 2.003 40 0 IEABRO COc1ncccc1C[N@@H+]1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306139316 568771233 /nfs/dbraw/zinc/77/12/33/568771233.db2.gz SUKKVFXLXVYMIQ-WIOPSUGQSA-N 1 0 445.523 2.277 40 0 IEABRO CC(C)Cn1nc2n(c(=O)c1=O)CC1(CC[NH+](Cc3ccc(OC(C)C)cc3)CC1)N2C ZINC000306144022 568773708 /nfs/dbraw/zinc/77/37/08/568773708.db2.gz YTRDBESMHOAUKQ-UHFFFAOYSA-N 1 0 441.576 2.333 40 0 IEABRO COC(=O)c1ccc(Nc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)cc1OC ZINC000328985266 568808607 /nfs/dbraw/zinc/80/86/07/568808607.db2.gz HRRCSTJUKFDKPE-UHFFFAOYSA-N 1 0 436.516 2.285 40 0 IEABRO OCCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329050152 568810593 /nfs/dbraw/zinc/81/05/93/568810593.db2.gz UTKYKUFNQCDZAA-UHFFFAOYSA-N 1 0 425.455 2.092 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3cccc(F)c3)CC1)C2=O ZINC000019699316 569230414 /nfs/dbraw/zinc/23/04/14/569230414.db2.gz ZENBQUITQNWZRI-UHFFFAOYSA-N 1 0 430.524 2.156 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccc(C)cc3)CC1)C2=O ZINC000019699359 569230487 /nfs/dbraw/zinc/23/04/87/569230487.db2.gz FNUQTHSDHTXSMA-UHFFFAOYSA-N 1 0 426.561 2.325 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccc(F)cc3)C1)C2=O ZINC000019699927 569230847 /nfs/dbraw/zinc/23/08/47/569230847.db2.gz NQSTWVMKNGPMML-IBGZPJMESA-N 1 0 430.524 2.156 40 0 IEABRO C[NH+](C)CCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2cccnc2N)C1 ZINC000019702268 569231912 /nfs/dbraw/zinc/23/19/12/569231912.db2.gz VZYSLAXSDRWLBI-CQSZACIVSA-N 1 0 438.557 2.195 40 0 IEABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)n1 ZINC000019709643 569234811 /nfs/dbraw/zinc/23/48/11/569234811.db2.gz IKERSOZRQKQYKP-MRXNPFEDSA-N 1 0 433.578 2.147 40 0 IEABRO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@@H+]3CC[C@]4(C(=O)Nc5c4ccc(OC)c5OC)[C@H]3C[C@H]12 ZINC000008681865 569470017 /nfs/dbraw/zinc/47/00/17/569470017.db2.gz TTZWEOINXHJHCY-WJCGARMQSA-N 1 0 428.485 2.080 40 0 biogenic IEABRO COC(=O)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)COC1 ZINC000096112754 291333819 /nfs/dbraw/zinc/33/38/19/291333819.db2.gz JICGUOJHEASJIW-INIZCTEOSA-N 1 0 429.498 2.088 40 0 biogenic,in-vitro IEABRO O[C@@H]1C[C@H](c2ccc(N3CCOCC3)nc2)[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000077262006 291339399 /nfs/dbraw/zinc/33/93/99/291339399.db2.gz LITJKCIJQHSQQQ-VURPSTOHSA-N 1 0 437.462 2.305 40 0 biogenic,in-vitro IEABRO CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H]([NH3+])CSc1ccccc1 ZINC000022048461 519278481 /nfs/dbraw/zinc/27/84/81/519278481.db2.gz RPJUAXSSRMFQEF-XRYRHKQGSA-N 1 0 449.661 2.235 40 0 in-vitro IEABRO CC(=O)N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(COc3ccccc3)on2)CC1 ZINC000015673544 519572613 /nfs/dbraw/zinc/57/26/13/519572613.db2.gz HZBQWZSNPYUISM-PMACEKPBSA-N 1 0 440.544 2.103 40 0 biogenic,in-vitro IEABRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCC(N)=O ZINC000012275574 520697508 /nfs/dbraw/zinc/69/75/08/520697508.db2.gz JHLQYFXDYHIAOP-QGZVFWFLSA-N 1 0 438.532 2.262 40 0 IEABRO CCOC(=O)C[C@@H]1CCN(C(=O)Nc2ccccc2)C[C@@H]1CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000020462813 520854948 /nfs/dbraw/zinc/85/49/48/520854948.db2.gz YOBNUNVGFZSMNU-BJLQDIEVSA-N 1 0 430.549 2.450 40 0 biogenic,in-vitro IEABRO CCOC(=O)C1=C(O)NC(N2CCN(Cc3ccccc3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020674679 521093741 /nfs/dbraw/zinc/09/37/41/521093741.db2.gz FXLXXRLTQAYOKT-SFTDATJTSA-N 1 0 438.503 2.350 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020674821 521279883 /nfs/dbraw/zinc/27/98/83/521279883.db2.gz YCFYSUODLCAMTQ-UXHICEINSA-N 1 0 442.466 2.493 40 0 IEABRO COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OC ZINC000016195130 522455931 /nfs/dbraw/zinc/45/59/31/522455931.db2.gz NCHBUYOUPCYMKX-UHFFFAOYSA-N 1 0 429.336 2.446 40 0 IEABRO COc1cc(NC(=O)C[C@@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)cc(OC)c1OC ZINC000022607390 522669174 /nfs/dbraw/zinc/66/91/74/522669174.db2.gz JEAMRGAAADANLW-AWEZNQCLSA-N 1 0 440.460 2.372 40 0 IEABRO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3CC(C)(C)C)[N@@H+]2C)cc1 ZINC000035442417 524048450 /nfs/dbraw/zinc/04/84/50/524048450.db2.gz ZJDKSVQPQOMXGQ-DWLFOUALSA-N 1 0 430.593 2.011 40 0 biogenic,in-vitro IEABRO C[NH+](C)CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013677785 535836600 /nfs/dbraw/zinc/83/66/00/535836600.db2.gz KMMIKDQTVTUNFL-IBGZPJMESA-N 1 0 437.949 2.364 40 0 IEABRO Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2Cl)c(=O)n3C)n1CCC[NH+](C)C ZINC000010104034 556325329 /nfs/dbraw/zinc/32/53/29/556325329.db2.gz BDOIXKJLDIXRGA-UHFFFAOYSA-N 1 0 442.951 2.420 40 0 IEABRO COc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000010540573 556336511 /nfs/dbraw/zinc/33/65/11/556336511.db2.gz XRMAOFDJYMPOAR-UHFFFAOYSA-N 1 0 431.986 2.353 40 0 IEABRO Cn1cc(C[NH2+][C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCCCC4)N3C2)c2ccccc21 ZINC000022936944 556450179 /nfs/dbraw/zinc/45/01/79/556450179.db2.gz NCKQRXPRTXVOEH-MZKRTTBSSA-N 1 0 437.588 2.002 40 0 biogenic,in-vitro IEABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000013668878 556549527 /nfs/dbraw/zinc/54/95/27/556549527.db2.gz PMPVMSBWFRIYQK-UHFFFAOYSA-N 1 0 431.558 2.493 40 0 IEABRO C[NH+](C)CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000038753309 556616350 /nfs/dbraw/zinc/61/63/50/556616350.db2.gz IOLFUYQCYGEDNP-UHFFFAOYSA-N 1 0 446.411 2.059 40 0 IEABRO COc1cccc(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000044857295 556673136 /nfs/dbraw/zinc/67/31/36/556673136.db2.gz VQORKHQRLKUIAJ-UHFFFAOYSA-N 1 0 431.558 2.373 40 0 IEABRO Cc1ncoc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257338265 556706718 /nfs/dbraw/zinc/70/67/18/556706718.db2.gz YWRBCOFKBXGZTN-HFMPRLQTSA-N 1 0 426.561 2.202 40 0 IEABRO Cc1nn(C)cc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257342486 556707371 /nfs/dbraw/zinc/70/73/71/556707371.db2.gz ZOWHDDZIRNMALO-LSQMVHIFSA-N 1 0 440.588 2.157 40 0 IEABRO Cc1ncc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H]([NH+]3CCOCC3)CC2)c(C)n1 ZINC000257237647 556710089 /nfs/dbraw/zinc/71/00/89/556710089.db2.gz HHKWMCLLAQKTGB-VDKIKQQVSA-N 1 0 438.572 2.397 40 0 IEABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)C3CCOCC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257256838 556712049 /nfs/dbraw/zinc/71/20/49/556712049.db2.gz KNBVYRHUWCJAMM-LSQMVHIFSA-N 1 0 429.605 2.018 40 0 IEABRO C[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257304005 556717792 /nfs/dbraw/zinc/71/77/92/556717792.db2.gz SJRLFUOQQHALIH-QFIPXVFZSA-N 1 0 437.540 2.372 40 0 IEABRO Cc1cccc([C@@H]2C[N@H+](Cc3cnc(N4CCOCC4)nc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236393 556721307 /nfs/dbraw/zinc/72/13/07/556721307.db2.gz GBIFBRWPRPRFTA-GBXCKJPGSA-N 1 0 436.560 2.045 40 0 IEABRO Cc1ccn(CCC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCCC3)C4)C2)n1 ZINC000019238043 556722963 /nfs/dbraw/zinc/72/29/63/556722963.db2.gz KHFRDCFXHZGICY-SFHVURJKSA-N 1 0 438.576 2.372 40 0 IEABRO Cn1ccc(C(=O)N2C[C@@H]3CCCCN(C(=O)c4ccccc4OCC[NH+](C)C)[C@@H]3C2)n1 ZINC000019290973 556731176 /nfs/dbraw/zinc/73/11/76/556731176.db2.gz CPDLBLUDJKSGAS-GHTZIAJQSA-N 1 0 439.560 2.127 40 0 IEABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CC[N@H+](Cc4ccncc4)C3)nc2C1 ZINC000019347703 556743443 /nfs/dbraw/zinc/74/34/43/556743443.db2.gz RGOARHQOKSGFJC-QGZVFWFLSA-N 1 0 433.487 2.492 40 0 IEABRO O=C([C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1)N1CCC(O)CC1 ZINC000019372449 556748769 /nfs/dbraw/zinc/74/87/69/556748769.db2.gz OAZLYGRNTZTSEW-VXKWHMMOSA-N 1 0 435.572 2.276 40 0 IEABRO CC1CCC([N@@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(S(=O)(=O)N(C)C)CC4)C2)CC1 ZINC000019495949 556768471 /nfs/dbraw/zinc/76/84/71/556768471.db2.gz QDZJYYKEFVCNAI-CGZBRXJRSA-N 1 0 437.610 2.105 40 0 IEABRO C[C@@H]1Cc2cc([C@H](O)C[NH+]3CCC(NC(=O)C4CCCC4)CC3)ccc2N1S(C)(=O)=O ZINC000019497861 556770238 /nfs/dbraw/zinc/77/02/38/556770238.db2.gz HLSNKMNTXWKVML-OPAMFIHVSA-N 1 0 449.617 2.201 40 0 IEABRO CCc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019522876 556780185 /nfs/dbraw/zinc/78/01/85/556780185.db2.gz VDXBRRIOVOGLFH-GOSISDBHSA-N 1 0 430.574 2.030 40 0 IEABRO CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cn1 ZINC000019525064 556782649 /nfs/dbraw/zinc/78/26/49/556782649.db2.gz NKCIAGWCDJYWAF-SFHVURJKSA-N 1 0 434.566 2.081 40 0 IEABRO COc1cc(C[NH+]2CCC(c3cc(=O)[nH]c(N4CCCC4)n3)CC2)ccc1OCC(N)=O ZINC000019550183 556795046 /nfs/dbraw/zinc/79/50/46/556795046.db2.gz BHJBDVAFCRSBKR-UHFFFAOYSA-N 1 0 441.532 2.035 40 0 IEABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CCOC4)[nH]c(=O)c3C2)cc1 ZINC000019555517 556798397 /nfs/dbraw/zinc/79/83/97/556798397.db2.gz MXFAMQBQRSOSMT-DYESRHJHSA-N 1 0 438.528 2.449 40 0 IEABRO Cc1sc2ncn(CC3(O)CC[NH+](CC(=O)N4CCCC[C@@H]4C)CC3)c(=O)c2c1C ZINC000019561450 556802779 /nfs/dbraw/zinc/80/27/79/556802779.db2.gz RGVUYJKMBYPSSM-HNNXBMFYSA-N 1 0 432.590 2.303 40 0 IEABRO C[NH+]1CCN(c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)CC1 ZINC000060912148 556809185 /nfs/dbraw/zinc/80/91/85/556809185.db2.gz OZPGXPKSDLLWGZ-UHFFFAOYSA-N 1 0 436.965 2.497 40 0 IEABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)c4cnccn4)C3)[nH]c(=O)c2C1 ZINC000019570624 556810855 /nfs/dbraw/zinc/81/08/55/556810855.db2.gz FLSNWPOTSBHWSV-KRWDZBQOSA-N 1 0 446.511 2.169 40 0 IEABRO CN1C[C@H](C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](CC2CCCCC2)C3)CC1=O ZINC000019587277 556823632 /nfs/dbraw/zinc/82/36/32/556823632.db2.gz WOVMGSVSPMTJJD-XLIONFOSSA-N 1 0 441.576 2.262 40 0 IEABRO COCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019593207 556829298 /nfs/dbraw/zinc/82/92/98/556829298.db2.gz YDBUHSQCRPOUTK-QGZVFWFLSA-N 1 0 428.508 2.210 40 0 IEABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 ZINC000019694669 556850788 /nfs/dbraw/zinc/85/07/88/556850788.db2.gz YRTULNVDJDSGKZ-LJQANCHMSA-N 1 0 438.576 2.356 40 0 IEABRO CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CC[NH+](CCc3ccccc3)CC1)C2=O ZINC000019699434 556858862 /nfs/dbraw/zinc/85/88/62/556858862.db2.gz ZSQDVGNXZZXYSP-UHFFFAOYSA-N 1 0 426.561 2.263 40 0 IEABRO CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3cccc(OC)c3)CC1)C2=O ZINC000019699549 556858883 /nfs/dbraw/zinc/85/88/83/556858883.db2.gz FIZLEGNSWPJQLD-UHFFFAOYSA-N 1 0 444.532 2.203 40 0 IEABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(S(=O)(=O)c1cc(C)c(OC)cc1C)C2 ZINC000019707108 556866199 /nfs/dbraw/zinc/86/61/99/556866199.db2.gz URFJYWJVSSQVHX-INIZCTEOSA-N 1 0 431.562 2.315 40 0 IEABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(C(=O)CCCS(=O)(=O)c1ccccc1)C2 ZINC000019707479 556867464 /nfs/dbraw/zinc/86/74/64/556867464.db2.gz MBYQCXCZDLYZTD-SFHVURJKSA-N 1 0 443.573 2.082 40 0 IEABRO CNc1nc(C2CCN(C(=O)CC[N@@H+]3CCC[C@@H](C)C3)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019710837 556874595 /nfs/dbraw/zinc/87/45/95/556874595.db2.gz SZXSYZJMAZOXJP-QGZVFWFLSA-N 1 0 442.608 2.251 40 0 IEABRO O=C(Cn1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)ccc1=O)Nc1nccs1 ZINC000019750937 556894737 /nfs/dbraw/zinc/89/47/37/556894737.db2.gz QMJCXYHXEXWGIL-QGZVFWFLSA-N 1 0 429.546 2.034 40 0 IEABRO O=C(Cn1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)ccc1=O)NCc1ccccc1 ZINC000019751032 556895020 /nfs/dbraw/zinc/89/50/20/556895020.db2.gz KJDNLNQOWQMNEF-QFIPXVFZSA-N 1 0 436.556 2.255 40 0 IEABRO CC(=O)N1CCC([NH+]2CCC(Cc3nn(C)cc3C(=O)NCc3ccccn3)CC2)CC1 ZINC000019756592 556900494 /nfs/dbraw/zinc/90/04/94/556900494.db2.gz HMHHGFSYWBXOKG-UHFFFAOYSA-N 1 0 438.576 2.011 40 0 IEABRO COc1cccc(OC)c1C[NH+]1CCC(Cc2nn(C)cc2C(=O)N2CCOCC2)CC1 ZINC000019758526 556902006 /nfs/dbraw/zinc/90/20/06/556902006.db2.gz XAJUMWSMQTUKHX-UHFFFAOYSA-N 1 0 442.560 2.364 40 0 IEABRO COCCNC(=O)c1cc([C@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)nc2ccccc21 ZINC000019761373 556904798 /nfs/dbraw/zinc/90/47/98/556904798.db2.gz KSBHGMNOWIIFEI-SFHVURJKSA-N 1 0 434.544 2.457 40 0 IEABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)[nH+]1 ZINC000072374994 556949780 /nfs/dbraw/zinc/94/97/80/556949780.db2.gz XXAWGHCYFUVJJT-SFHVURJKSA-N 1 0 438.532 2.269 40 0 IEABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)Cn4ccc(=O)[nH]c4=O)CC3)CCCCC2)cc1 ZINC000072393571 556964796 /nfs/dbraw/zinc/96/47/96/556964796.db2.gz AIFKREAHBLNXOA-UHFFFAOYSA-N 1 0 438.572 2.328 40 0 IEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000020244419 557002500 /nfs/dbraw/zinc/00/25/00/557002500.db2.gz YWPMFAPLPVWHMP-SFHVURJKSA-N 1 0 428.574 2.209 40 0 IEABRO C[NH+](C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O ZINC000585107019 557041468 /nfs/dbraw/zinc/04/14/68/557041468.db2.gz OJZIKLNMDMVCCO-DHLKQENFSA-N 1 0 439.531 2.153 40 0 IEABRO C[NH+]1CCN(CCCNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000022935024 557051951 /nfs/dbraw/zinc/05/19/51/557051951.db2.gz ATGQMFRZAFITPX-UHFFFAOYSA-N 1 0 444.601 2.020 40 0 IEABRO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C[NH2+][C@]34C(=O)Nc3ccc(Br)cc34)C2=O)cc1 ZINC000023109612 557063724 /nfs/dbraw/zinc/06/37/24/557063724.db2.gz ZWGQGNLBFCJSOG-PSGMQZRDSA-N 1 0 426.270 2.314 40 0 IEABRO COCCn1cc(C(=O)N2CC[N@H+](CCc3ccccc3)C[C@H]2C(N)=O)c2ccccc21 ZINC000585168380 557132510 /nfs/dbraw/zinc/13/25/10/557132510.db2.gz KHEHCIKFSXEQIT-QHCPKHFHSA-N 1 0 434.540 2.142 40 0 IEABRO C[NH+]1CCN(C2=N[C@@H](c3ccco3)C3=C(N2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 ZINC000009287452 557183220 /nfs/dbraw/zinc/18/32/20/557183220.db2.gz SOIBYWKZPVULNN-KRWDZBQOSA-N 1 0 425.876 2.008 40 0 IEABRO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+](C)C)cc2)cc1OC ZINC000010111448 557204022 /nfs/dbraw/zinc/20/40/22/557204022.db2.gz WPRRHPUHLKEGJF-UHFFFAOYSA-N 1 0 435.546 2.210 40 0 IEABRO CCOc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000010111444 557204048 /nfs/dbraw/zinc/20/40/48/557204048.db2.gz SWGUBMYJSJWUIT-UHFFFAOYSA-N 1 0 437.537 2.488 40 0 IEABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccc(OCCO)c(OC)c3)C2)cc1 ZINC000585269631 557212352 /nfs/dbraw/zinc/21/23/52/557212352.db2.gz DPGDEQJMBMSFFG-DEOSSOPVSA-N 1 0 430.545 2.144 40 0 IEABRO COc1ccc(C[NH2+]C[C@@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)CC[C@@H]2O)c(OC)c1 ZINC000585283015 557222421 /nfs/dbraw/zinc/22/24/21/557222421.db2.gz AOMRATYCCRQITM-JTHBVZDNSA-N 1 0 448.947 2.014 40 0 IEABRO OC1(C[N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287561 557227731 /nfs/dbraw/zinc/22/77/31/557227731.db2.gz OJIWURFCMWEFEV-XMMPIXPASA-N 1 0 448.510 2.438 40 0 IEABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCC(F)(F)CC3)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1 ZINC000604381687 557236344 /nfs/dbraw/zinc/23/63/44/557236344.db2.gz LCTNLIBORYHABU-VXXGZENSSA-N 1 0 442.478 2.285 40 0 biogenic,in-vitro IEABRO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CC[NH+](C)CC3)Oc3cc(C)ccc32)cc1 ZINC000219403524 557242794 /nfs/dbraw/zinc/24/27/94/557242794.db2.gz BWRCGYQBGQKWNF-JOCHJYFZSA-N 1 0 443.569 2.470 40 0 IEABRO COc1ccc(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc1OC(F)F ZINC000057774544 557264359 /nfs/dbraw/zinc/26/43/59/557264359.db2.gz NTYANDVDBGAVMF-UHFFFAOYSA-N 1 0 429.427 2.438 40 0 IEABRO CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2Cc2ccc(O)cc2)C(=O)Nc2ccc(F)cc21 ZINC000103088084 557312623 /nfs/dbraw/zinc/31/26/23/557312623.db2.gz AEIZHXWFYSWLLE-AZXNSQLWSA-N 1 0 437.471 2.295 40 0 IEABRO CC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccc(CN4CCOCC4)c3)ccc21 ZINC000108269074 557338339 /nfs/dbraw/zinc/33/83/39/557338339.db2.gz TZRFRLOJUVZDAM-UHFFFAOYSA-N 1 0 443.569 2.296 40 0 IEABRO COc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccccc2OC)cc1 ZINC000113937900 557379383 /nfs/dbraw/zinc/37/93/83/557379383.db2.gz COZSCFNJOOHHDP-UHFFFAOYSA-N 1 0 447.557 2.110 40 0 IEABRO C[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000113957746 557381577 /nfs/dbraw/zinc/38/15/77/557381577.db2.gz LXXYHOFWAZRHJC-MRXNPFEDSA-N 1 0 434.537 2.371 40 0 IEABRO COc1ccccc1N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)S(C)(=O)=O ZINC000224604186 557630163 /nfs/dbraw/zinc/63/01/63/557630163.db2.gz HGCDBHKAIIUFDH-UHFFFAOYSA-N 1 0 431.558 2.373 40 0 IEABRO O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224627750 557632789 /nfs/dbraw/zinc/63/27/89/557632789.db2.gz AFVZCUPFEXBQPG-UHFFFAOYSA-N 1 0 427.526 2.133 40 0 IEABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000224628815 557632963 /nfs/dbraw/zinc/63/29/63/557632963.db2.gz NPZOJOHWXJMGKY-UHFFFAOYSA-N 1 0 443.569 2.233 40 0 IEABRO COc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1 ZINC000224765255 557649236 /nfs/dbraw/zinc/64/92/36/557649236.db2.gz UJOUQFJZLXSPGP-UHFFFAOYSA-N 1 0 431.558 2.373 40 0 IEABRO COC(=O)c1cc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)cc(C(=O)OC)c1 ZINC000225214063 557701061 /nfs/dbraw/zinc/70/10/61/557701061.db2.gz VDHRJADGYRYCSK-UHFFFAOYSA-N 1 0 435.546 2.190 40 0 IEABRO C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000260798391 557856481 /nfs/dbraw/zinc/85/64/81/557856481.db2.gz SMZFBBKIZYHZMT-SFHVURJKSA-N 1 0 445.585 2.414 40 0 IEABRO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000260813037 557857312 /nfs/dbraw/zinc/85/73/12/557857312.db2.gz OVQGIAGMOYQGLH-FXAWDEMLSA-N 1 0 425.595 2.478 40 0 IEABRO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000260813039 557857342 /nfs/dbraw/zinc/85/73/42/557857342.db2.gz OVQGIAGMOYQGLH-PXNSSMCTSA-N 1 0 425.595 2.478 40 0 IEABRO Cc1ccccc1N1CCC(O)(C[N@@H+]2CCOC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585288144 568619370 /nfs/dbraw/zinc/61/93/70/568619370.db2.gz XOAKVKHARQIKPM-VWLOTQADSA-N 1 0 426.557 2.469 40 0 IEABRO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000260895433 568628252 /nfs/dbraw/zinc/62/82/52/568628252.db2.gz IJYFLDPQZGPZKM-MSOLQXFVSA-N 1 0 425.570 2.465 40 0 IEABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)C2(C)CCN(c3ncccn3)CC2)C1 ZINC000257202688 568666433 /nfs/dbraw/zinc/66/64/33/568666433.db2.gz AMWNPZJKXPSSET-DEOSSOPVSA-N 1 0 441.551 2.318 40 0 IEABRO Cc1ccc2nccc(N3CCC(O)(CN(C)C(=O)c4cccc(OCC[NH3+])c4)CC3)c2n1 ZINC000257215044 568671973 /nfs/dbraw/zinc/67/19/73/568671973.db2.gz COKAJZAHKLQRJN-UHFFFAOYSA-N 1 0 449.555 2.379 40 0 IEABRO CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1cccc(OCC[NH3+])c1 ZINC000257243484 568685504 /nfs/dbraw/zinc/68/55/04/568685504.db2.gz IHFCGQDHGZBWNC-DEOSSOPVSA-N 1 0 435.528 2.071 40 0 IEABRO CN(CC1(O)CCN(c2ccnc3cccnc32)CC1)C(=O)c1ccc(OCC[NH3+])cc1 ZINC000257244714 568685836 /nfs/dbraw/zinc/68/58/36/568685836.db2.gz IMMKASNKVHAEKT-UHFFFAOYSA-N 1 0 435.528 2.071 40 0 IEABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)CN1CCCCS1(=O)=O)[C@H]3Cc1ccccc1 ZINC000257251078 568689022 /nfs/dbraw/zinc/68/90/22/568689022.db2.gz JPHUWBKXRVQELX-XANJAXJYSA-N 1 0 431.602 2.155 40 0 IEABRO Cc1cc(N2CCC(O)(CN(C)C(=O)c3ccc(OCC[NH3+])cc3)CC2)c2cnccc2n1 ZINC000257255794 568691361 /nfs/dbraw/zinc/69/13/61/568691361.db2.gz KIWQHBFZDIXJOG-UHFFFAOYSA-N 1 0 449.555 2.379 40 0 IEABRO Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)c4cccc(OCCC[NH3+])c4)C3)c2n1 ZINC000257276034 568700369 /nfs/dbraw/zinc/70/03/69/568700369.db2.gz NSCINTSHADNKGZ-RUZDIDTESA-N 1 0 449.555 2.379 40 0 IEABRO Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)c4cccc(OCCC[NH3+])c4)C3)c2n1 ZINC000257276035 568700408 /nfs/dbraw/zinc/70/04/08/568700408.db2.gz NSCINTSHADNKGZ-VWLOTQADSA-N 1 0 449.555 2.379 40 0 IEABRO C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)Cn4ccc(=O)[nH]c4=O)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257285742 568704800 /nfs/dbraw/zinc/70/48/00/568704800.db2.gz PIPIKWOERKBEKD-ZAZYSFHNSA-N 1 0 436.556 2.424 40 0 IEABRO C[NH+]1CCC(C(=O)N2CC[C@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)CC1 ZINC000257293542 568708093 /nfs/dbraw/zinc/70/80/93/568708093.db2.gz QPZGFXZVTKISMN-KRWDZBQOSA-N 1 0 442.585 2.426 40 0 IEABRO CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc(O)c2C(=O)NCC[NH+]2CCCCC2)[C@@H]1O ZINC000257297936 568710262 /nfs/dbraw/zinc/71/02/62/568710262.db2.gz RJKVUIBMWLBHTK-CTPLVJPESA-N 1 0 430.545 2.199 40 0 IEABRO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCCC[NH3+])cc3)C2)c2cnccc2n1 ZINC000257305291 568713468 /nfs/dbraw/zinc/71/34/68/568713468.db2.gz SPHGDHHNYSYDMI-VWLOTQADSA-N 1 0 449.555 2.379 40 0 IEABRO Cc1cc(N2CCC[C@@](O)(CNC(=O)c3cccc(OCCC[NH3+])c3)C2)c2cnccc2n1 ZINC000257310542 568715654 /nfs/dbraw/zinc/71/56/54/568715654.db2.gz UFMWWZFJCCHKII-RUZDIDTESA-N 1 0 449.555 2.427 40 0 IEABRO Cc1ncoc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257318809 568719534 /nfs/dbraw/zinc/71/95/34/568719534.db2.gz VPMFZPXGUQMXIJ-HFMPRLQTSA-N 1 0 427.545 2.411 40 0 IEABRO CN(CC1(O)CCN(c2ccnc3cccnc32)CC1)C(=O)c1ccc(OCCC[NH3+])cc1 ZINC000257320653 568720130 /nfs/dbraw/zinc/72/01/30/568720130.db2.gz VXTJMTNVLBVOES-UHFFFAOYSA-N 1 0 449.555 2.461 40 0 IEABRO CC(=O)Nc1ccc(N2C(=O)C[C@H](N(C(=O)CSC(N)=[NH2+])C3CCCCC3)C2=O)cc1 ZINC000261526579 568735180 /nfs/dbraw/zinc/73/51/80/568735180.db2.gz BLOLLFTXCCPXSB-KRWDZBQOSA-N 1 0 445.545 2.065 40 0 IEABRO O=C(NC[C@H]1CC[C@]2(COCC[N@H+](Cc3ccccc3-n3cccn3)C2)O1)c1cccnc1 ZINC000306129955 568765923 /nfs/dbraw/zinc/76/59/23/568765923.db2.gz ISGBEDFNZSJXKA-RDGATRHJSA-N 1 0 447.539 2.447 40 0 IEABRO CCOCC(=O)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@H+](Cc2ccccc2)CC4)CC1 ZINC000306131832 568766990 /nfs/dbraw/zinc/76/69/90/568766990.db2.gz KQOOJQZRNSILTQ-UHFFFAOYSA-N 1 0 436.556 2.003 40 0 IEABRO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@H+](Cc4ccc(C)s4)C2)C3)cc1 ZINC000306138712 568770746 /nfs/dbraw/zinc/77/07/46/568770746.db2.gz SFDIVIJOYHSAHN-HSZRJFAPSA-N 1 0 438.553 2.280 40 0 IEABRO COc1ncccc1C[N@@H+]1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306139313 568771312 /nfs/dbraw/zinc/77/13/12/568771312.db2.gz SUKKVFXLXVYMIQ-DHLKQENFSA-N 1 0 445.523 2.277 40 0 IEABRO CCn1cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 ZINC000306140383 568771689 /nfs/dbraw/zinc/77/16/89/568771689.db2.gz URQGBORHBNWFET-UPVQGACJSA-N 1 0 432.528 2.090 40 0 IEABRO CCn1cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 ZINC000306140382 568771762 /nfs/dbraw/zinc/77/17/62/568771762.db2.gz URQGBORHBNWFET-LADGPHEKSA-N 1 0 432.528 2.090 40 0 IEABRO COC(=O)c1ccc(OC)c(Nc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)c1 ZINC000328962419 568807763 /nfs/dbraw/zinc/80/77/63/568807763.db2.gz BHRLBNGUGJYYRL-UHFFFAOYSA-N 1 0 436.516 2.285 40 0 IEABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1CO ZINC000012219501 569224801 /nfs/dbraw/zinc/22/48/01/569224801.db2.gz JOFCFNHAOHBNRS-IBGZPJMESA-N 1 0 437.544 2.448 40 0 IEABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1CO ZINC000012219500 569224864 /nfs/dbraw/zinc/22/48/64/569224864.db2.gz JOFCFNHAOHBNRS-LJQANCHMSA-N 1 0 437.544 2.448 40 0 IEABRO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)c1 ZINC000019692818 569228310 /nfs/dbraw/zinc/22/83/10/569228310.db2.gz YGAXKMMIWDNHMF-FQEVSTJZSA-N 1 0 425.533 2.214 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3cccc(C)c3)CC1)C2=O ZINC000019699360 569230355 /nfs/dbraw/zinc/23/03/55/569230355.db2.gz LSLOTUCVGRGKNQ-UHFFFAOYSA-N 1 0 426.561 2.325 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3F)CC1)C2=O ZINC000019699357 569230502 /nfs/dbraw/zinc/23/05/02/569230502.db2.gz RJEZWSUGVMATJQ-UHFFFAOYSA-N 1 0 430.524 2.156 40 0 IEABRO C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699644 569230750 /nfs/dbraw/zinc/23/07/50/569230750.db2.gz WILDIILMECNOTF-HMXCVIKNSA-N 1 0 438.572 2.263 40 0 IEABRO C[NH+](C)CCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2cccnc2N)C1 ZINC000019702269 569231939 /nfs/dbraw/zinc/23/19/39/569231939.db2.gz VZYSLAXSDRWLBI-AWEZNQCLSA-N 1 0 438.557 2.195 40 0 IEABRO CC[NH+](CC)CC(=O)N1CCO[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703122 569232718 /nfs/dbraw/zinc/23/27/18/569232718.db2.gz VNKRFQUKRHLDQC-KRWDZBQOSA-N 1 0 446.573 2.010 40 0 IEABRO CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](c2nc(C[NH2+]C)cc(N(C)C)n2)C1 ZINC000019709619 569234716 /nfs/dbraw/zinc/23/47/16/569234716.db2.gz CTGUUCYQZZNPFQ-MRXNPFEDSA-N 1 0 445.589 2.075 40 0 IEABRO Cc1ccc(C)c(N(CC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)S(=O)(=O)N(C)C)c1 ZINC000020244342 569241364 /nfs/dbraw/zinc/24/13/64/569241364.db2.gz BJRKTSNAYRVUKC-OALUTQOASA-N 1 0 438.638 2.400 40 0 IEABRO CCCCc1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 ZINC000008298839 291331386 /nfs/dbraw/zinc/33/13/86/291331386.db2.gz IFDFIYVSBJLCCK-SXLOBPIMSA-N 1 0 425.533 2.376 40 0 biogenic,in-vitro IEABRO COCC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc(OC)c(OC)c2)nn1C ZINC000008635496 291333786 /nfs/dbraw/zinc/33/37/86/291333786.db2.gz PMYCKEZKBXWJAT-JQHSSLGASA-N 1 0 428.533 2.045 40 0 biogenic,in-vitro IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(F)cc3)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020674746 521093269 /nfs/dbraw/zinc/09/32/69/521093269.db2.gz YLXNIKMINVGLMS-VQTJNVASSA-N 1 0 442.466 2.493 40 0 IEABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375248 522107893 /nfs/dbraw/zinc/10/78/93/522107893.db2.gz AWQDYKVTPRVKJN-YRVIIDLLSA-N 1 0 437.471 2.293 40 0 IEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020452219 523020719 /nfs/dbraw/zinc/02/07/19/523020719.db2.gz KHTRKHROJVSFBI-NRFANRHFSA-N 1 0 437.606 2.233 40 0 IEABRO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CC[N@@H+]3C3CCCCC3)N2C)cc1 ZINC000035442420 524048248 /nfs/dbraw/zinc/04/82/48/524048248.db2.gz YLUJEQGMVPYKRW-FJIJXJHWSA-N 1 0 442.604 2.297 40 0 biogenic,in-vitro IEABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)CCN4C(=O)NC(C)(C)C4=O)CC3)CC2)cc1 ZINC000012187198 524229372 /nfs/dbraw/zinc/22/93/72/524229372.db2.gz VFHNIHLDQXKKBY-UHFFFAOYSA-N 1 0 426.561 2.328 40 0 IEABRO O=C(O[C@@H]1C2CC[NH+](CC2)[C@@H]1CN1CCOCC1)[C@](O)(c1ccccc1)C1CCCC1 ZINC000022588465 526434320 /nfs/dbraw/zinc/43/43/20/526434320.db2.gz HUNNPEGZZSIPJQ-OYRHQHFDSA-N 1 0 428.573 2.403 40 0 IEABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2cccc(F)c2)c1 ZINC000408573805 555923986 /nfs/dbraw/zinc/92/39/86/555923986.db2.gz OKIHRYSVZYPRCJ-UHFFFAOYSA-N 1 0 430.505 2.491 40 0 IEABRO Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)c3ccccc3)ccc12 ZINC000004534299 555999960 /nfs/dbraw/zinc/99/99/60/555999960.db2.gz HYJIKHYBLDRPMG-GOSISDBHSA-N 1 0 435.484 2.102 40 0 IEABRO CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)OC(C)(C)C ZINC000005519445 556057873 /nfs/dbraw/zinc/05/78/73/556057873.db2.gz PPOBHQUEJKYAOG-ZCNNSNEGSA-N 1 0 431.577 2.339 40 0 IEABRO CC1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000007077976 556114448 /nfs/dbraw/zinc/11/44/48/556114448.db2.gz CMZWAJWQZNQWJY-UHFFFAOYSA-N 1 0 425.570 2.465 40 0 IEABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000015139981 556506259 /nfs/dbraw/zinc/50/62/59/556506259.db2.gz CBTGVGYNUSCJGD-UHFFFAOYSA-N 1 0 443.569 2.233 40 0 IEABRO Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@]3(O)CCCN(c4cnccn4)C3)cc2)n1 ZINC000257238708 556710043 /nfs/dbraw/zinc/71/00/43/556710043.db2.gz HMDWFPINJINIPB-XMMPIXPASA-N 1 0 436.560 2.490 40 0 IEABRO Cc1cnn(CC(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCC(O)CC3)CC2)c1 ZINC000257245495 556710655 /nfs/dbraw/zinc/71/06/55/556710655.db2.gz IPTBMTGZKDOGKM-LSQMVHIFSA-N 1 0 440.588 2.006 40 0 IEABRO Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@@]3(O)CCCN(c4ncccn4)C3)cc2)n1 ZINC000257274108 556714213 /nfs/dbraw/zinc/71/42/13/556714213.db2.gz NJPNKVHXEQJGDC-DEOSSOPVSA-N 1 0 436.560 2.490 40 0 IEABRO Cn1cccc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257293686 556716743 /nfs/dbraw/zinc/71/67/43/556716743.db2.gz QQSAAZIIQPADFB-RSEQLOHWSA-N 1 0 425.573 2.453 40 0 IEABRO Cc1ccsc1C[N@H+]1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCOCC3)n2)C1 ZINC000019238713 556724118 /nfs/dbraw/zinc/72/41/18/556724118.db2.gz ODZOXJSOHWBAHU-ROUUACIJSA-N 1 0 429.590 2.423 40 0 IEABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@H+](Cc4cccnc4)C3)nc2C1 ZINC000019347697 556743429 /nfs/dbraw/zinc/74/34/29/556743429.db2.gz KXGSNQFBLMTAOF-KRWDZBQOSA-N 1 0 433.487 2.492 40 0 IEABRO O=C(c1ccc(F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCn2cnnc2C1 ZINC000019372517 556749182 /nfs/dbraw/zinc/74/91/82/556749182.db2.gz AGGXLXWPCRPPRP-NHCUHLMSSA-N 1 0 433.487 2.391 40 0 IEABRO COc1ccccc1OCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C(C)C)CC2 ZINC000019448243 556757581 /nfs/dbraw/zinc/75/75/81/556757581.db2.gz MMJHCOLUNBKJNM-SFHVURJKSA-N 1 0 426.517 2.288 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCC([C@H]3C[C@H](C(=O)NC(C)C)C[N@@H+]3C)CC2)cc1F ZINC000019449764 556760661 /nfs/dbraw/zinc/76/06/61/556760661.db2.gz LCVYUFBTBAOGQV-QFBILLFUSA-N 1 0 441.569 2.080 40 0 IEABRO COc1ccc(C[N@@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000019450168 556761001 /nfs/dbraw/zinc/76/10/01/556761001.db2.gz UXRKVBSRVHLTLT-SFTDATJTSA-N 1 0 439.560 2.062 40 0 IEABRO CC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)CC1 ZINC000019499917 556771746 /nfs/dbraw/zinc/77/17/46/556771746.db2.gz PUJXXFUBRSZFKN-JTSKRJEESA-N 1 0 436.560 2.315 40 0 IEABRO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cnc(N(C)C)nc2)C3)c(OCC)n1 ZINC000019531668 556792100 /nfs/dbraw/zinc/79/21/00/556792100.db2.gz DGYFJUAVOVOJAD-NHJWOMDBSA-N 1 0 442.564 2.250 40 0 IEABRO COc1cccc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1 ZINC000019565852 556806446 /nfs/dbraw/zinc/80/64/46/556806446.db2.gz JVQFICZIFGLIRQ-QHCPKHFHSA-N 1 0 445.585 2.263 40 0 IEABRO CS(=O)(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccc(F)cc4)CC3)ccc21 ZINC000019572482 556812814 /nfs/dbraw/zinc/81/28/14/556812814.db2.gz MIVGALWOKYZOBV-JOCHJYFZSA-N 1 0 433.549 2.394 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)c3ccccc3OCC)C1)C2=O ZINC000019700770 556860157 /nfs/dbraw/zinc/86/01/57/556860157.db2.gz HAPFAZLLAIMLEM-QGZVFWFLSA-N 1 0 428.533 2.096 40 0 IEABRO CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC000019710378 556872664 /nfs/dbraw/zinc/87/26/64/556872664.db2.gz ZWWOOZXLAIMXFM-HXUWFJFHSA-N 1 0 428.581 2.208 40 0 IEABRO CC[NH+]1CCC(CC(=O)N2CCC[C@H](c3nc4c(c(NC)n3)CN(C(C)=O)CC4)C2)CC1 ZINC000019710519 556873841 /nfs/dbraw/zinc/87/38/41/556873841.db2.gz WNQLLABODDRYCA-IBGZPJMESA-N 1 0 442.608 2.251 40 0 IEABRO CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)CC[C@@H](C)[NH+]1CCCC1)C2 ZINC000019710919 556874981 /nfs/dbraw/zinc/87/49/81/556874981.db2.gz WMZUYTCFPAIRFX-QGZVFWFLSA-N 1 0 442.608 2.393 40 0 IEABRO CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)[C@@H](C)C[NH+]4CCOCC4)CC3)nc21 ZINC000019739485 556878122 /nfs/dbraw/zinc/87/81/22/556878122.db2.gz LELGFZWMCJTZGK-KRWDZBQOSA-N 1 0 443.592 2.149 40 0 IEABRO Cc1nc([C@H]2CCCN(C(=O)CC[N@H+](C)Cc3ccccn3)C2)nc2c1CCC(=O)N2C ZINC000019741576 556884172 /nfs/dbraw/zinc/88/41/72/556884172.db2.gz ATPMJBGNHDLXJF-SFHVURJKSA-N 1 0 436.560 2.317 40 0 IEABRO COCCn1c(=O)n(C)c(=O)c2ccc([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)nc21 ZINC000019743582 556888265 /nfs/dbraw/zinc/88/82/65/556888265.db2.gz MNONEYYAQDULAD-KRWDZBQOSA-N 1 0 426.492 2.260 40 0 IEABRO CC1CC[NH+](CCNC(=O)CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000019748756 556893255 /nfs/dbraw/zinc/89/32/55/556893255.db2.gz NDYQWESNJYWEMG-UHFFFAOYSA-N 1 0 425.570 2.465 40 0 IEABRO O=C(Cn1cccc(C(=O)NCc2ccccc2)c1=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000019750338 556894399 /nfs/dbraw/zinc/89/43/99/556894399.db2.gz YNSVATDDVUFYDS-OAQYLSRUSA-N 1 0 436.556 2.255 40 0 IEABRO O=C1N[C@]2(CC[C@@H]3C[N@H+](Cc4ccnc(N5CCSCC5)n4)C[C@@H]32)Nc2ccccc21 ZINC000072326864 556903415 /nfs/dbraw/zinc/90/34/15/556903415.db2.gz SXNVLIPONKWLIZ-ICPLQIHGSA-N 1 0 436.585 2.423 40 0 IEABRO COc1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(C[NH+](C)C)cc(N(C)C)n3)C2)c1 ZINC000072370117 556933728 /nfs/dbraw/zinc/93/37/28/556933728.db2.gz DZVKAYDAGVWCSY-MRXNPFEDSA-N 1 0 433.578 2.181 40 0 IEABRO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](CC)CC3)cc2c1 ZINC000019973325 556956431 /nfs/dbraw/zinc/95/64/31/556956431.db2.gz LWSCPRUAJVWJJN-HXUWFJFHSA-N 1 0 439.564 2.395 40 0 IEABRO O=C(NC1CC2(C1)CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2)[C@H]1CCCS1(=O)=O ZINC000585102766 557036742 /nfs/dbraw/zinc/03/67/42/557036742.db2.gz DZFXNSNKKQAPHU-OAQYLSRUSA-N 1 0 442.585 2.310 40 0 IEABRO Cc1ccc(CC(=O)N2CCO[C@@]3(C2)C(=O)N(CC[NH+](C)C)C[C@@H]3c2ccccc2)cc1 ZINC000585106742 557040844 /nfs/dbraw/zinc/04/08/44/557040844.db2.gz HAJDXASMFRHZFM-ZEQKJWHPSA-N 1 0 435.568 2.323 40 0 IEABRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)cc1 ZINC000022934679 557052143 /nfs/dbraw/zinc/05/21/43/557052143.db2.gz APNTXTGFBFDOBX-UHFFFAOYSA-N 1 0 430.574 2.163 40 0 IEABRO COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CC[NH+](Cc4ccccn4)CC3)O2)cc1 ZINC000096036699 557163773 /nfs/dbraw/zinc/16/37/73/557163773.db2.gz NVESNHBTKSILBI-QFIPXVFZSA-N 1 0 447.539 2.493 40 0 IEABRO CC(C)CCN1Cc2c(C(=O)N3CC[C@H]([NH+](C)C)C3)ncn2-c2ccccc2S1(=O)=O ZINC000096147517 557177308 /nfs/dbraw/zinc/17/73/08/557177308.db2.gz XIZGTPKCINPFMJ-KRWDZBQOSA-N 1 0 445.589 2.199 40 0 IEABRO O=C(NCCc1cccnc1)c1ccc2nnc([C@@H]3CC[N@H+](Cc4cccnc4)C3)n2c1 ZINC000096156185 557180943 /nfs/dbraw/zinc/18/09/43/557180943.db2.gz SSGNPLWEFMRIDL-HXUWFJFHSA-N 1 0 427.512 2.481 40 0 IEABRO COc1ccccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCC(OC)CC1 ZINC000585262392 557201885 /nfs/dbraw/zinc/20/18/85/557201885.db2.gz MDLQRMMBIXBAAQ-AZOUXBGGSA-N 1 0 440.540 2.485 40 0 IEABRO Cn1cncc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+](C)Cc1ccccc1 ZINC000585262460 557202238 /nfs/dbraw/zinc/20/22/38/557202238.db2.gz VDCULKAFNQNSIE-LGKPFJOYSA-N 1 0 438.503 2.370 40 0 IEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000010277892 557212579 /nfs/dbraw/zinc/21/25/79/557212579.db2.gz NSOWIBJJRNUQEF-UHFFFAOYSA-N 1 0 432.384 2.207 40 0 IEABRO COc1cc(CN2CCC[C@]2(C)C(=O)NCCO)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585273454 557215854 /nfs/dbraw/zinc/21/58/54/557215854.db2.gz OKWRUBIBRIKSJE-XMMPIXPASA-N 1 0 433.593 2.269 40 0 IEABRO O[C@H]1CC[N@H+](Cc2cccc(OCCn3cccn3)c2)C[C@]1(O)COc1cccc(F)c1 ZINC000585282182 557221710 /nfs/dbraw/zinc/22/17/10/557221710.db2.gz YXGWBBKWRSQFIN-ZEQRLZLVSA-N 1 0 441.503 2.478 40 0 IEABRO OC1(C[N@@H+]2CCOC[C@@](O)(COc3ccccc3)C2)CCN(c2ccccc2F)CC1 ZINC000585286714 557225634 /nfs/dbraw/zinc/22/56/34/557225634.db2.gz HXSNSPLKETWIQY-XMMPIXPASA-N 1 0 430.520 2.299 40 0 IEABRO C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000113940653 557379952 /nfs/dbraw/zinc/37/99/52/557379952.db2.gz PDVYGPSMPRTRRS-INIZCTEOSA-N 1 0 434.537 2.371 40 0 IEABRO COc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)cc1Cl ZINC000013648316 557381284 /nfs/dbraw/zinc/38/12/84/557381284.db2.gz NWOUGPGVJRDOIC-HNNXBMFYSA-N 1 0 431.986 2.495 40 0 IEABRO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000222785280 557386741 /nfs/dbraw/zinc/38/67/41/557386741.db2.gz NFINTGDAUMIQAJ-FQEVSTJZSA-N 1 0 425.595 2.478 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3OC)CC2)=[NH+][C@H]1c1ccccc1 ZINC000017100284 557488830 /nfs/dbraw/zinc/48/88/30/557488830.db2.gz JDOHYXNJOJZTRX-SFTDATJTSA-N 1 0 436.512 2.224 40 0 IEABRO COc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1 ZINC000224599146 557629595 /nfs/dbraw/zinc/62/95/95/557629595.db2.gz CJZMFJBARLCKCR-UHFFFAOYSA-N 1 0 431.558 2.373 40 0 IEABRO COC(=O)c1cc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)cc(C(=O)OC)c1 ZINC000225216968 557701444 /nfs/dbraw/zinc/70/14/44/557701444.db2.gz VJSHPFUWEZVJKL-UHFFFAOYSA-N 1 0 437.587 2.470 40 0 IEABRO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000260813004 557857029 /nfs/dbraw/zinc/85/70/29/557857029.db2.gz ODUZNMJLTDCFIH-KRWDZBQOSA-N 1 0 425.595 2.116 40 0 IEABRO COc1cccc(N(CCCC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)S(C)(=O)=O)c1 ZINC000260813063 557857236 /nfs/dbraw/zinc/85/72/36/557857236.db2.gz PDJFFFJTXUIRJI-SFHVURJKSA-N 1 0 425.595 2.480 40 0 IEABRO O[C@H]1CC[C@@H](Cc2cc(CN3CCOCC3)on2)O[C@@H]1C[NH2+]Cc1ccccc1Cl ZINC000096269004 560054245 /nfs/dbraw/zinc/05/42/45/560054245.db2.gz AVHNWMOYAPRQGQ-YUXAGFNASA-N 1 0 435.952 2.401 40 0 biogenic,in-vitro IEABRO CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(C)CC2)no1)Cc1ccccc1 ZINC000015673536 560230613 /nfs/dbraw/zinc/23/06/13/560230613.db2.gz WKNWGIWLIGJVJI-VXKWHMMOSA-N 1 0 439.604 2.239 40 0 biogenic,in-vitro IEABRO C[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000260895438 568628336 /nfs/dbraw/zinc/62/83/36/568628336.db2.gz IJYFLDPQZGPZKM-ZWKOTPCHSA-N 1 0 425.570 2.465 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000260905919 568629019 /nfs/dbraw/zinc/62/90/19/568629019.db2.gz TWVNPMFOZKGEJS-SFHVURJKSA-N 1 0 437.606 2.334 40 0 IEABRO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CN(C(=O)CCN4CCOCC4)CCO3)c2)n1 ZINC000257202821 568666390 /nfs/dbraw/zinc/66/63/90/568666390.db2.gz ANOPDCSWXGAIIR-NRFANRHFSA-N 1 0 440.548 2.163 40 0 IEABRO CCOc1ccc2[nH]c(C(=O)N3CC[C@H](O)[C@@H]([NH+]4CCN(C(C)=O)CC4)CC3)c(C)c2c1 ZINC000257232440 568679853 /nfs/dbraw/zinc/67/98/53/568679853.db2.gz GKVJRMBCMDNZKF-VXKWHMMOSA-N 1 0 442.560 2.005 40 0 IEABRO CC(C)[NH+]1CCN(CC(=O)N2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)CC1 ZINC000257239783 568683864 /nfs/dbraw/zinc/68/38/64/568683864.db2.gz HQTMSTBVYHVEEL-SLSDLSHTSA-N 1 0 426.605 2.283 40 0 IEABRO CC1(C(=O)N2CC[C@@](O)(C[N@@H+]3CCc4ccccc4C3)C2)CCN(c2ncccn2)CC1 ZINC000257254389 568690503 /nfs/dbraw/zinc/69/05/03/568690503.db2.gz KCVXLHOKDHNSLT-RUZDIDTESA-N 1 0 435.572 2.105 40 0 IEABRO NC(=O)c1cnn2c1nccc2[C@@H]1CCCN1C(=O)COc1ccc(C[NH+]2CCCC2)cc1 ZINC000257288828 568706166 /nfs/dbraw/zinc/70/61/66/568706166.db2.gz PVWTTWOUVHVZHP-FQEVSTJZSA-N 1 0 448.527 2.167 40 0 IEABRO CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)CCN2CCOCC2)C1)C1CCCCC1 ZINC000257290957 568707132 /nfs/dbraw/zinc/70/71/32/568707132.db2.gz QFARGVNYSZHJFM-GOSISDBHSA-N 1 0 431.581 2.243 40 0 IEABRO Cc1ccc2nccc(N3CC[C@](O)(CNC(=O)c4ccc(OCCC[NH3+])cc4)C3)c2n1 ZINC000257297931 568710328 /nfs/dbraw/zinc/71/03/28/568710328.db2.gz RJKRKXJEELUTNW-DEOSSOPVSA-N 1 0 435.528 2.037 40 0 IEABRO CCOc1ccc(C[N@@H+]2CC[C@H](c3nc4c(c(NC)n3)CCN(C(C)=O)C4)C2)cc1CO ZINC000257344981 568730740 /nfs/dbraw/zinc/73/07/40/568730740.db2.gz ZZLFUAIFISVXJW-SFHVURJKSA-N 1 0 439.560 2.303 40 0 IEABRO CN1Cc2nnc(C(=O)NCc3ccccc3)n2C[C@@]12CC[N@H+](Cc1cccc(F)c1)C2 ZINC000306124274 568763305 /nfs/dbraw/zinc/76/33/05/568763305.db2.gz BLJVFXKKMCDIJH-DEOSSOPVSA-N 1 0 434.519 2.437 40 0 IEABRO COc1ccc(CN2CCO[C@]3(C[N@H+](Cc4cnn(C)c4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306125499 568763827 /nfs/dbraw/zinc/76/38/27/568763827.db2.gz CSOACUNZUPNPRK-ZCYQVOJMSA-N 1 0 447.539 2.221 40 0 IEABRO CC(C)Oc1ccc(C[NH+]2CCC3(Cn4c(nn(CC5CC5)c(=O)c4=O)N3C)CC2)cc1 ZINC000306126150 568764258 /nfs/dbraw/zinc/76/42/58/568764258.db2.gz DOINGEFGHCFGHJ-UHFFFAOYSA-N 1 0 439.560 2.087 40 0 IEABRO Cc1ccccc1CC(=O)N1CCc2nc3n(c(=O)c2C1)CC[C@@]31CC[N@H+](CC2CC2)C1 ZINC000306126606 568764412 /nfs/dbraw/zinc/76/44/12/568764412.db2.gz DZZNXWGKCZVUDR-AREMUKBSSA-N 1 0 432.568 2.436 40 0 IEABRO Cc1ccccc1CC(=O)N1CCc2nc3n(c(=O)c2C1)CC[C@]31CC[N@H+](CC2CC2)C1 ZINC000306126607 568764521 /nfs/dbraw/zinc/76/45/21/568764521.db2.gz DZZNXWGKCZVUDR-SANMLTNESA-N 1 0 432.568 2.436 40 0 IEABRO O=C(NC[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccccc3-n3cccn3)C2)O1)c1cccnc1 ZINC000306129953 568765869 /nfs/dbraw/zinc/76/58/69/568765869.db2.gz ISGBEDFNZSJXKA-DHLKQENFSA-N 1 0 447.539 2.447 40 0 IEABRO O=C(NC[C@@H]1CC[C@@]2(COCC[N@H+](Cc3ccccc3-n3cccn3)C2)O1)c1cccnc1 ZINC000306129956 568765891 /nfs/dbraw/zinc/76/58/91/568765891.db2.gz ISGBEDFNZSJXKA-WIOPSUGQSA-N 1 0 447.539 2.447 40 0 IEABRO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccc4c(c3)OCO4)CC1)COC2 ZINC000306130850 568766433 /nfs/dbraw/zinc/76/64/33/568766433.db2.gz JRDVVFMPCXNNEH-MRXNPFEDSA-N 1 0 441.532 2.348 40 0 IEABRO O=c1c2c(nc3n1CC1(C3)CC[NH+](Cc3ccccn3)CC1)CCN(Cc1cccnc1)C2 ZINC000306139135 568771077 /nfs/dbraw/zinc/77/10/77/568771077.db2.gz SQCHLVURWPPYHV-UHFFFAOYSA-N 1 0 442.567 2.430 40 0 IEABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)cc1 ZINC000306141628 568772418 /nfs/dbraw/zinc/77/24/18/568772418.db2.gz WCFNALFOIWQMLJ-XMMPIXPASA-N 1 0 438.576 2.439 40 0 IEABRO C[NH+]1CCN(CCNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)CC1 ZINC000329069753 568811166 /nfs/dbraw/zinc/81/11/66/568811166.db2.gz ZAOPPUIXFUSJTJ-UHFFFAOYSA-N 1 0 436.482 2.120 40 0 IEABRO CC(=O)N1CCC[C@](C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000248021817 569206805 /nfs/dbraw/zinc/20/68/05/569206805.db2.gz RKGBEDJZRZNOIE-LERMDLETSA-N 1 0 432.540 2.404 40 0 IEABRO CC(=O)N1CCC[C@](C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000248021815 569206877 /nfs/dbraw/zinc/20/68/77/569206877.db2.gz RKGBEDJZRZNOIE-AYPBNUJASA-N 1 0 432.540 2.404 40 0 IEABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCN(C(=O)C[NH+]3CCCCC3)C2)n1 ZINC000019694786 569229258 /nfs/dbraw/zinc/22/92/58/569229258.db2.gz UAKDCXURKVPGJS-LJQANCHMSA-N 1 0 436.560 2.110 40 0 IEABRO CCCC(=O)N1CCC(N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699312 569230503 /nfs/dbraw/zinc/23/05/03/569230503.db2.gz YPMYVOWXRWAGLI-UHFFFAOYSA-N 1 0 426.561 2.407 40 0 IEABRO O=C(c1cccnc1)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699443 569230552 /nfs/dbraw/zinc/23/05/52/569230552.db2.gz YRQFAVRXUWWDPC-UHFFFAOYSA-N 1 0 447.539 2.273 40 0 IEABRO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3ccccn3)CC1)C2=O ZINC000019699414 569230633 /nfs/dbraw/zinc/23/06/33/569230633.db2.gz QJWWHGVJPIKZPZ-UHFFFAOYSA-N 1 0 447.539 2.273 40 0 IEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3F)C1)C2=O ZINC000019699703 569230749 /nfs/dbraw/zinc/23/07/49/569230749.db2.gz BIQVWUXYCYNZIU-LJQANCHMSA-N 1 0 444.551 2.402 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3C)C1)C2=O ZINC000019699937 569230867 /nfs/dbraw/zinc/23/08/67/569230867.db2.gz UAPMLUQGQDWUMV-FQEVSTJZSA-N 1 0 426.561 2.325 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3cccc(OC)c3)C1)C2=O ZINC000019699985 569231012 /nfs/dbraw/zinc/23/10/12/569231012.db2.gz AMJHUVGSMOROMS-SFHVURJKSA-N 1 0 428.533 2.096 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cccc(OC)c3)CC1)C2=O ZINC000019700707 569231288 /nfs/dbraw/zinc/23/12/88/569231288.db2.gz YLEPLMBMUHSIJB-UHFFFAOYSA-N 1 0 442.560 2.344 40 0 IEABRO COc1cccc(C(=O)N2CCC(N3C(=O)NC4(CC[NH+](CC(C)C)CC4)C3=O)CC2)c1 ZINC000019701355 569231408 /nfs/dbraw/zinc/23/14/08/569231408.db2.gz PKPNUFWGGVOFJB-UHFFFAOYSA-N 1 0 442.560 2.342 40 0 IEABRO Nc1ncnc2nc([C@@H]3CN(C(=O)C[NH+]4CCC(c5ccccc5)CC4)CCO3)ccc12 ZINC000019704817 569233632 /nfs/dbraw/zinc/23/36/32/569233632.db2.gz MPTQRVKTXBSDAD-NRFANRHFSA-N 1 0 432.528 2.387 40 0 IEABRO Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)O2 ZINC000038831837 569248875 /nfs/dbraw/zinc/24/88/75/569248875.db2.gz CCNLYGLPWGQTJQ-JOCHJYFZSA-N 1 0 443.569 2.434 40 0 IEABRO Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)O2 ZINC000038831853 569248887 /nfs/dbraw/zinc/24/88/87/569248887.db2.gz RQNMSCFTJUWQPU-JOCHJYFZSA-N 1 0 443.569 2.434 40 0 IEABRO CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)Oc2ccccc21 ZINC000038831801 569248890 /nfs/dbraw/zinc/24/88/90/569248890.db2.gz IGUMONDJLSPXNH-OAQYLSRUSA-N 1 0 429.542 2.126 40 0 IEABRO CC(=O)N1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCN(C)CC4)nc3)no2)CC1 ZINC000049155090 291330233 /nfs/dbraw/zinc/33/02/33/291330233.db2.gz VSHQJGMKHYHWFU-FQEVSTJZSA-N 1 0 439.564 2.031 40 0 biogenic,in-vitro IEABRO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022822313 518878555 /nfs/dbraw/zinc/87/85/55/518878555.db2.gz ZYMBIGGZRXMXFX-IBGZPJMESA-N 1 0 439.556 2.229 40 0 IEABRO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022822308 518881812 /nfs/dbraw/zinc/88/18/12/518881812.db2.gz ZYMBIGGZRXMXFX-LJQANCHMSA-N 1 0 439.556 2.229 40 0 IEABRO C[NH+]1CCC(N2CCC[C@H]2c2nc(-c3ccnc(N4CCC(C(N)=O)CC4)c3)no2)CC1 ZINC000035424695 523771444 /nfs/dbraw/zinc/77/14/44/523771444.db2.gz HZIIXMCRNSUXRF-IBGZPJMESA-N 1 0 439.564 2.064 40 0 biogenic,in-vitro IEABRO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccccc4NC2=O)[N@H+]2CCC[C@@H]32)cc1OC ZINC000012371343 524394086 /nfs/dbraw/zinc/39/40/86/524394086.db2.gz DMYOOPSREMVGOU-UBPTVHNVSA-N 1 0 433.464 2.135 40 0 IEABRO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(F)cc3)CN21)NCc1ccc(F)cc1 ZINC000035442266 526561476 /nfs/dbraw/zinc/56/14/76/526561476.db2.gz SJYHEDIXAGOJHE-BDTNDASRSA-N 1 0 442.510 2.092 40 0 biogenic,in-vitro IEABRO COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1 ZINC000001908051 555723794 /nfs/dbraw/zinc/72/37/94/555723794.db2.gz PFGVNLZDWRZPJW-OPAMFIHVSA-N 1 0 446.507 2.421 40 0 investigational IEABRO C[N@@H+]1[C@@H]2CCN(Cc3ccc(O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCc2ccccc21 ZINC000022922730 556341518 /nfs/dbraw/zinc/34/15/18/556341518.db2.gz NJEZJACWSARCST-ZWSUVBHBSA-N 1 0 448.567 2.135 40 0 biogenic,in-vitro IEABRO CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000036312408 556596553 /nfs/dbraw/zinc/59/65/53/556596553.db2.gz RNXBAYSQRRPAKN-QGZVFWFLSA-N 1 0 443.635 2.402 40 0 IEABRO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000044871569 556673145 /nfs/dbraw/zinc/67/31/45/556673145.db2.gz YWCVEOXQVSIGJY-UHFFFAOYSA-N 1 0 445.541 2.094 40 0 IEABRO C[C@H](C(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1)N1CCOCC1 ZINC000019079940 556695502 /nfs/dbraw/zinc/69/55/02/556695502.db2.gz OHMLQRAVOZVYGK-QGZVFWFLSA-N 1 0 429.540 2.028 40 0 IEABRO CC(C)(C)NC(=O)CN1CC2(CCC([NH+]3CCOCC3)CC2)Oc2ccccc2C1=O ZINC000019083065 556697552 /nfs/dbraw/zinc/69/75/52/556697552.db2.gz CZACTXOBYXTZDS-UHFFFAOYSA-N 1 0 429.561 2.450 40 0 IEABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@H](O)[C@@H](n2c(=O)[nH]c(=O)c3ccccc32)C1 ZINC000257215829 556703029 /nfs/dbraw/zinc/70/30/29/556703029.db2.gz CRVGHZFRFKQXSL-VXKWHMMOSA-N 1 0 448.523 2.146 40 0 IEABRO Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@]3(O)CCN(c4cc(C)ncn4)C3)cc2)n1 ZINC000257320875 556704200 /nfs/dbraw/zinc/70/42/00/556704200.db2.gz VYZIKDKHXDQQOY-XMMPIXPASA-N 1 0 436.560 2.408 40 0 IEABRO OCCCOc1ccc(C[N@@H+]2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257335325 556706384 /nfs/dbraw/zinc/70/63/84/556706384.db2.gz YJRXSLUCVRRULX-RUZDIDTESA-N 1 0 425.573 2.207 40 0 IEABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2ccccc2CN2CCOCC2)C1 ZINC000257232256 556709376 /nfs/dbraw/zinc/70/93/76/556709376.db2.gz GJZUULNNCLKBDR-RUZDIDTESA-N 1 0 441.547 2.367 40 0 IEABRO CC(=O)N1CCCN(C(=O)C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@H](c3csnn3)C2)CC1 ZINC000019211990 556709636 /nfs/dbraw/zinc/70/96/36/556709636.db2.gz OBDJLSSSWQLVEX-VQTJNVASSA-N 1 0 427.574 2.110 40 0 IEABRO CCc1nnsc1C(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257244633 556710633 /nfs/dbraw/zinc/71/06/33/556710633.db2.gz IMECNQKMODEDCA-SXWKCWPCSA-N 1 0 444.601 2.404 40 0 IEABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)Cc3cccnc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257277958 556714608 /nfs/dbraw/zinc/71/46/08/556714608.db2.gz OADLIKJSKYQDJY-GNKBHMEESA-N 1 0 436.600 2.229 40 0 IEABRO Cc1nccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCC(O)CC3)CC2)n1 ZINC000257294086 556716812 /nfs/dbraw/zinc/71/68/12/556716812.db2.gz QSJDDLFKZPIEMG-LSQMVHIFSA-N 1 0 438.572 2.213 40 0 IEABRO Cc1ccnn1CCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019238401 556723366 /nfs/dbraw/zinc/72/33/66/556723366.db2.gz GPRCIWMSMOHQKR-GOSISDBHSA-N 1 0 438.576 2.372 40 0 IEABRO Cc1nc(C[C@@H]([NH2+]Cc2cnc(N3CCOCC3)nc2)c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000019285359 556727110 /nfs/dbraw/zinc/72/71/10/556727110.db2.gz JDYRQWZFLYOESU-HXUWFJFHSA-N 1 0 440.935 2.432 40 0 IEABRO Cc1ncc(C[N@@H+]2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)c3ccccc3F)C4)C2)cn1 ZINC000019287203 556728291 /nfs/dbraw/zinc/72/82/91/556728291.db2.gz DUZOQIWFXSPFPH-KRWDZBQOSA-N 1 0 448.502 2.195 40 0 IEABRO O=C(Cc1ccccc1F)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019348117 556743819 /nfs/dbraw/zinc/74/38/19/556743819.db2.gz SZHGINGLXVLUIE-NRFANRHFSA-N 1 0 440.519 2.352 40 0 IEABRO O=C(N[C@@H]1CSC[C@@H]1O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372539 556749088 /nfs/dbraw/zinc/74/90/88/556749088.db2.gz QNFKTFHWBYMCQV-NCYKPQTJSA-N 1 0 428.529 2.349 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000019448323 556757423 /nfs/dbraw/zinc/75/74/23/556757423.db2.gz LUWVTUUJFUEKES-IBGZPJMESA-N 1 0 432.546 2.071 40 0 IEABRO CCN(Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)o1)S(C)(=O)=O ZINC000019526606 556785118 /nfs/dbraw/zinc/78/51/18/556785118.db2.gz YSESOEVJUCXUOA-QUCCMNQESA-N 1 0 441.500 2.449 40 0 IEABRO CCOC(=O)Cn1cc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)c2ccccc21 ZINC000019530582 556791237 /nfs/dbraw/zinc/79/12/37/556791237.db2.gz AWTYSHHRTIEIDF-UHFFFAOYSA-N 1 0 435.528 2.446 40 0 IEABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCN(C(=O)c5cnccn5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555569 556798762 /nfs/dbraw/zinc/79/87/62/556798762.db2.gz UIWVAHNIABLBHD-KRWDZBQOSA-N 1 0 446.511 2.169 40 0 IEABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)cc1CO ZINC000019559274 556800940 /nfs/dbraw/zinc/80/09/40/556800940.db2.gz VMNAIIQVYVGNFO-NHJWOMDBSA-N 1 0 429.517 2.114 40 0 IEABRO Cc1sc2ncn(CC3(O)CC[NH+](CC(=O)N4CCCCCC4)CC3)c(=O)c2c1C ZINC000019561453 556802755 /nfs/dbraw/zinc/80/27/55/556802755.db2.gz HJKALUGQESDRLL-UHFFFAOYSA-N 1 0 432.590 2.304 40 0 IEABRO Cc1sc2ncn(CC3(O)CC[NH+](CC(=O)N4C[C@H](C)C[C@H](C)C4)CC3)c(=O)c2c1C ZINC000019561417 556802829 /nfs/dbraw/zinc/80/28/29/556802829.db2.gz HUWRGZZDAIKLPP-IYBDPMFKSA-N 1 0 446.617 2.406 40 0 IEABRO Cc1sc2ncn(CC3(O)CC[NH+](CC(=O)N4CCCC[C@H]4C)CC3)c(=O)c2c1C ZINC000019561447 556802877 /nfs/dbraw/zinc/80/28/77/556802877.db2.gz RGVUYJKMBYPSSM-OAHLLOKOSA-N 1 0 432.590 2.303 40 0 IEABRO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(NC(=O)C4CCCC4)CC3)ccc21 ZINC000019572462 556812854 /nfs/dbraw/zinc/81/28/54/556812854.db2.gz XWHVIFMWTISNDS-QFIPXVFZSA-N 1 0 449.617 2.203 40 0 IEABRO CNC(=O)[C@@H]1C[N@H+](Cc2cc(OC)ccc2OC)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019591944 556828045 /nfs/dbraw/zinc/82/80/45/556828045.db2.gz AJFYRNSPKALNBS-RTBURBONSA-N 1 0 425.533 2.056 40 0 IEABRO COCCN1C[C@H](c2cc(N(C)C)nc(C3CC[NH+](Cc4cccnc4)CC3)n2)CC1=O ZINC000019696482 556853358 /nfs/dbraw/zinc/85/33/58/556853358.db2.gz HOZKWXRBTXFXIB-HXUWFJFHSA-N 1 0 438.576 2.280 40 0 IEABRO CN(C)c1cc(CN(C)C(=O)CCn2c3ccccc3oc2=O)nc([C@H]2CCCC[NH2+]2)n1 ZINC000019709882 556871320 /nfs/dbraw/zinc/87/13/20/556871320.db2.gz ZYIBKYIAOYGUGD-QGZVFWFLSA-N 1 0 438.532 2.314 40 0 IEABRO CNc1nc([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)nc2c1CN(C(C)=O)CC2 ZINC000019710256 556872110 /nfs/dbraw/zinc/87/21/10/556872110.db2.gz FVVAHUQYSUWFAQ-FQEVSTJZSA-N 1 0 428.581 2.208 40 0 IEABRO CNc1nc(C2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)CC2)nc2c1CC[NH2+]C2 ZINC000019710844 556874569 /nfs/dbraw/zinc/87/45/69/556874569.db2.gz XBLPRXQNPKFWIU-UHFFFAOYSA-N 1 0 445.589 2.358 40 0 IEABRO O=C(NCc1ccccn1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334428 556907053 /nfs/dbraw/zinc/90/70/53/556907053.db2.gz SYTHPPOVKFDPKW-NVQXNPDNSA-N 1 0 442.519 2.391 40 0 IEABRO Cc1nc(N2CCOCC2)ncc1-c1ccnc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019960260 556954883 /nfs/dbraw/zinc/95/48/83/556954883.db2.gz FXAKPDCXFHZFKN-UHFFFAOYSA-N 1 0 431.544 2.401 40 0 IEABRO O=C(COc1ccc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)cc1)N1CCOCC1 ZINC000072392553 556963599 /nfs/dbraw/zinc/96/35/99/556963599.db2.gz IEQDEAUACZCAFM-HOKHCIIBSA-N 1 0 437.540 2.049 40 0 IEABRO CCOc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C1)OCO2 ZINC000072392618 556963869 /nfs/dbraw/zinc/96/38/69/556963869.db2.gz KJSPXBPGNDHINF-DJKDLEHESA-N 1 0 443.500 2.351 40 0 IEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000020244417 557002531 /nfs/dbraw/zinc/00/25/31/557002531.db2.gz YWPMFAPLPVWHMP-GOSISDBHSA-N 1 0 428.574 2.209 40 0 IEABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000585106078 557039590 /nfs/dbraw/zinc/03/95/90/557039590.db2.gz JINFJYXAKGFHCI-DQLDELGASA-N 1 0 429.561 2.403 40 0 IEABRO C[NH+](C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O ZINC000585106601 557040584 /nfs/dbraw/zinc/04/05/84/557040584.db2.gz CPZWSCXEGGLCMU-XUZZJYLKSA-N 1 0 425.504 2.225 40 0 IEABRO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CCC2 ZINC000096056169 557167401 /nfs/dbraw/zinc/16/74/01/557167401.db2.gz FPWXVQQASPPBAL-RDPSFJRHSA-N 1 0 439.535 2.193 40 0 IEABRO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1cccs1)CCC2 ZINC000096056162 557167564 /nfs/dbraw/zinc/16/75/64/557167564.db2.gz ASNOXVWBOYHBMQ-AVRDEDQJSA-N 1 0 427.574 2.116 40 0 IEABRO CN(C)C(=O)CN1[C@H]2CC[N@H+](Cc3ccccc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145840 557175651 /nfs/dbraw/zinc/17/56/51/557175651.db2.gz UTNUJMJICMRMDQ-PMACEKPBSA-N 1 0 443.569 2.191 40 0 IEABRO C[NH+]1CCN(C2=N[C@H](c3ccco3)C3=C(N2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 ZINC000009287448 557183236 /nfs/dbraw/zinc/18/32/36/557183236.db2.gz SOIBYWKZPVULNN-QGZVFWFLSA-N 1 0 425.876 2.008 40 0 IEABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)O[C@@H](C(=O)NCc1cccnc1)Cn1ccnc12 ZINC000096243825 557187781 /nfs/dbraw/zinc/18/77/81/557187781.db2.gz SORYDVWYIIUWAC-HXUWFJFHSA-N 1 0 436.516 2.089 40 0 IEABRO Cc1ccc(C(=O)N2CCC[C@]3(C(=O)N(C)C)C[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1C ZINC000096251306 557188206 /nfs/dbraw/zinc/18/82/06/557188206.db2.gz VPVYXVRWWAOGPC-RDGATRHJSA-N 1 0 437.588 2.480 40 0 IEABRO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(C(=O)Cc2cccc(F)c2)CC3)C1=O ZINC000096262797 557190273 /nfs/dbraw/zinc/19/02/73/557190273.db2.gz GBDFFXIMPPQMMQ-XMMPIXPASA-N 1 0 431.552 2.178 40 0 IEABRO COc1cccc(NC(=O)[C@H]2Cn3ccnc3C3(CC[NH+](Cc4cnn(C)c4)CC3)O2)c1 ZINC000096262968 557190499 /nfs/dbraw/zinc/19/04/99/557190499.db2.gz UFGXOWQZXNCHDG-HXUWFJFHSA-N 1 0 436.516 2.154 40 0 IEABRO C[NH+](C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCc4cccs4)cn32)CC1 ZINC000096267385 557193260 /nfs/dbraw/zinc/19/32/60/557193260.db2.gz WLVJHSUTKNQOPV-UHFFFAOYSA-N 1 0 425.558 2.141 40 0 IEABRO C[N@@H+]1CCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)C[C@](O)(Cn2cccn2)C1 ZINC000585261889 557197702 /nfs/dbraw/zinc/19/77/02/557197702.db2.gz LLXDZLMLGWINRA-DEOSSOPVSA-N 1 0 438.503 2.420 40 0 IEABRO COCC(=O)N1CC[N@H+](CC2(O)CCCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585283099 557222387 /nfs/dbraw/zinc/22/23/87/557222387.db2.gz PSIGUOJXPVXYEO-VWLOTQADSA-N 1 0 448.604 2.289 40 0 IEABRO Cc1cccc(OC[C@@]2(O)C[N@H+](CC3(O)CCN(c4ccccc4F)CC3)CC[C@@H]2O)c1 ZINC000585283740 557223059 /nfs/dbraw/zinc/22/30/59/557223059.db2.gz UKMIMWWYRHCGPT-ZCYQVOJMSA-N 1 0 444.547 2.342 40 0 IEABRO Cc1cccc(OC[C@@]2(O)C[N@H+](Cc3cccc(OCCn4cncn4)c3)CC[C@@H]2O)c1 ZINC000585283590 557223085 /nfs/dbraw/zinc/22/30/85/557223085.db2.gz SBFFMIYBOONQNK-ZEQRLZLVSA-N 1 0 438.528 2.042 40 0 IEABRO OC1(C[N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCN(c2ccccc2F)CC1 ZINC000585287518 557227568 /nfs/dbraw/zinc/22/75/68/557227568.db2.gz NOCZGYIWIGQHPO-XMMPIXPASA-N 1 0 448.510 2.438 40 0 IEABRO Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CC[NH+](C)CC3)Oc3ccc(C)cc32)cc1 ZINC000219402931 557242562 /nfs/dbraw/zinc/24/25/62/557242562.db2.gz LDPPUHRKMYQABP-QFIPXVFZSA-N 1 0 443.569 2.470 40 0 IEABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2ccccc2OC)c1 ZINC000057313284 557244242 /nfs/dbraw/zinc/24/42/42/557244242.db2.gz WLSBARLSBYXERC-UHFFFAOYSA-N 1 0 442.541 2.360 40 0 IEABRO CCC[NH+](CCC)CC(=O)Nc1ccccc1C1=NNC(=O)[C@H]2[C@@H](C(=O)NC(C)C)[C@@]12C ZINC000057774729 557264408 /nfs/dbraw/zinc/26/44/08/557264408.db2.gz YVXLYRYEJKWSIT-DCLXLUIPSA-N 1 0 441.576 2.358 40 0 IEABRO C[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000113940655 557379959 /nfs/dbraw/zinc/37/99/59/557379959.db2.gz PDVYGPSMPRTRRS-MRXNPFEDSA-N 1 0 434.537 2.371 40 0 IEABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCC2)c2cc3cc(OC)ccc3[nH]c2=O)CC1 ZINC000019527938 557501745 /nfs/dbraw/zinc/50/17/45/557501745.db2.gz CEEVVRUGUBHYAM-OAQYLSRUSA-N 1 0 437.548 2.365 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCC[NH+]1CCCCC1 ZINC000224072517 557555468 /nfs/dbraw/zinc/55/54/68/557555468.db2.gz SWKZIKORSRQVDX-UHFFFAOYSA-N 1 0 437.606 2.405 40 0 IEABRO CCN1CCN(C(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000224440019 557606390 /nfs/dbraw/zinc/60/63/90/557606390.db2.gz ZBHPJZBRKOABMJ-UHFFFAOYSA-N 1 0 431.558 2.294 40 0 IEABRO CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224780188 557650795 /nfs/dbraw/zinc/65/07/95/557650795.db2.gz VOLHOCZHNRURDG-UHFFFAOYSA-N 1 0 430.574 2.455 40 0 IEABRO CN(c1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000224802247 557652877 /nfs/dbraw/zinc/65/28/77/557652877.db2.gz AWBHTGBATPCUQR-UHFFFAOYSA-N 1 0 431.558 2.373 40 0 IEABRO Cc1csc(Nc2cccc(C3CC[NH+](CC(=O)N4CCC(C(N)=O)CC4)CC3)n2)n1 ZINC000257200357 568665212 /nfs/dbraw/zinc/66/52/12/568665212.db2.gz ACYLSNBBKHVLOQ-UHFFFAOYSA-N 1 0 442.589 2.493 40 0 IEABRO COCCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257208253 568668911 /nfs/dbraw/zinc/66/89/11/568668911.db2.gz BLIMODRQNUBBBG-HTDNTCHWSA-N 1 0 428.504 2.286 40 0 IEABRO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3[nH]c4c(cc(C)cc4C)c3C)CC[C@@H]2O)CC1 ZINC000257212534 568671068 /nfs/dbraw/zinc/67/10/68/568671068.db2.gz CDWPWPIUQRZRDY-SFTDATJTSA-N 1 0 426.561 2.223 40 0 IEABRO CC(=O)NCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1[NH+]1CCC(C(C)(C)C)CC1 ZINC000257214229 568671621 /nfs/dbraw/zinc/67/16/21/568671621.db2.gz CLDCHGWWCMTVTB-SQMBMXPBSA-N 1 0 449.567 2.085 40 0 IEABRO C[N@@H+]1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257234723 568681257 /nfs/dbraw/zinc/68/12/57/568681257.db2.gz GUVZOFHXVQGHHK-FQEVSTJZSA-N 1 0 432.572 2.468 40 0 IEABRO CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1cccc(OCC[NH3+])c1 ZINC000257243485 568685481 /nfs/dbraw/zinc/68/54/81/568685481.db2.gz IHFCGQDHGZBWNC-XMMPIXPASA-N 1 0 435.528 2.071 40 0 IEABRO CN1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CN(Cc3cccnc3)CCO2)CC1 ZINC000257256815 568691872 /nfs/dbraw/zinc/69/18/72/568691872.db2.gz KNAGDWNKQRWZBH-XMMPIXPASA-N 1 0 442.535 2.035 40 0 IEABRO Cc1nn2c(nccc2[C@H]2CN(C(=O)C3CCCC3)CCO2)c1C[NH+]1CCC(O)CC1 ZINC000257305435 568713854 /nfs/dbraw/zinc/71/38/54/568713854.db2.gz SPYZOYVOKCETCU-OAQYLSRUSA-N 1 0 427.549 2.085 40 0 IEABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1n[nH]c2c1CCC2 ZINC000257312111 568716212 /nfs/dbraw/zinc/71/62/12/568716212.db2.gz UMONYMPTWBIOJQ-TZBSWOFLSA-N 1 0 438.572 2.202 40 0 IEABRO Cc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(OCC[NH+]4CCCCC4)cc3)C2)ncn1 ZINC000257312774 568716774 /nfs/dbraw/zinc/71/67/74/568716774.db2.gz UPLKKOJBLMUNJP-XMMPIXPASA-N 1 0 439.560 2.021 40 0 IEABRO Cc1nccn1C[C@]1(O)CN(C(=O)c2ccnc(Oc3cccc(F)c3)c2)CC[N@@H+](C)C1 ZINC000257320407 568720157 /nfs/dbraw/zinc/72/01/57/568720157.db2.gz VWQSUMNBQHMARK-QHCPKHFHSA-N 1 0 439.491 2.337 40 0 IEABRO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCC[NH3+])cc3)C2)c2cnccc2n1 ZINC000257331068 568724897 /nfs/dbraw/zinc/72/48/97/568724897.db2.gz XRGLWNQLNQEZJF-RUZDIDTESA-N 1 0 449.555 2.379 40 0 IEABRO Cc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(OCCC[NH3+])cc3)C2)c2cnccc2n1 ZINC000257339453 568728448 /nfs/dbraw/zinc/72/84/48/568728448.db2.gz ZBUVVKUHGOYNJX-RUZDIDTESA-N 1 0 449.555 2.427 40 0 IEABRO Cc1nccn1C[C@]1(O)CN(C(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)CC[N@@H+](C)C1 ZINC000257344807 568730538 /nfs/dbraw/zinc/73/05/38/568730538.db2.gz ZYTCZMDNTLDMOO-DEOSSOPVSA-N 1 0 449.559 2.161 40 0 IEABRO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccnc3OC)CC1)COC2 ZINC000306125486 568763806 /nfs/dbraw/zinc/76/38/06/568763806.db2.gz CSGUCSLYQBCWMX-MRXNPFEDSA-N 1 0 428.537 2.023 40 0 IEABRO CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)C[N@H+](Cc3cccs3)CC2)C1 ZINC000306132123 568766870 /nfs/dbraw/zinc/76/68/70/568766870.db2.gz KZJVKKJMXIGRBH-JOCHJYFZSA-N 1 0 427.574 2.328 40 0 IEABRO CCCCNC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@@]2(CC(C(=O)N3CCCC3)=NO2)C1 ZINC000306133658 568767937 /nfs/dbraw/zinc/76/79/37/568767937.db2.gz MSJLLACBIZQHRB-ZJSXRUAMSA-N 1 0 441.576 2.498 40 0 IEABRO COc1ccc(Cn2nc3n(c(=O)c2=O)CCC32CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000306135220 568768875 /nfs/dbraw/zinc/76/88/75/568768875.db2.gz OLDPLDTVEFGRJE-UHFFFAOYSA-N 1 0 438.553 2.461 40 0 IEABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4cccnc4OC)C[C@@H]2C3)cc1 ZINC000306135405 568768930 /nfs/dbraw/zinc/76/89/30/568768930.db2.gz OPZZYQAJTFWXKK-DLBZAZTESA-N 1 0 434.500 2.247 40 0 IEABRO C[C@H](CO)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328966298 568807908 /nfs/dbraw/zinc/80/79/08/568807908.db2.gz CKZQVRCUDLDYGX-CQSZACIVSA-N 1 0 439.482 2.480 40 0 IEABRO COC(=O)c1ccc(OC)c(Nc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)c1 ZINC000329060342 568810693 /nfs/dbraw/zinc/81/06/93/568810693.db2.gz WMHDUNVEIBHVLD-UHFFFAOYSA-N 1 0 436.516 2.285 40 0 IEABRO C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103000833 568891332 /nfs/dbraw/zinc/89/13/32/568891332.db2.gz MECHLOOAVALOHP-WSLRVYHESA-N 1 0 440.297 2.390 40 0 IEABRO O=C([C@H]1CCCO1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343628 569226392 /nfs/dbraw/zinc/22/63/92/569226392.db2.gz ZJIIOYLHBBGZEX-DNVCBOLYSA-N 1 0 428.558 2.275 40 0 IEABRO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)c1 ZINC000019692819 569228300 /nfs/dbraw/zinc/22/83/00/569228300.db2.gz YGAXKMMIWDNHMF-HXUWFJFHSA-N 1 0 425.533 2.214 40 0 IEABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCN(C(=O)C[NH+]3CCCCC3)C2)n1 ZINC000019694787 569229320 /nfs/dbraw/zinc/22/93/20/569229320.db2.gz UAKDCXURKVPGJS-IBGZPJMESA-N 1 0 436.560 2.110 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3cccc(OC)c3)CC1)C2=O ZINC000019699354 569230501 /nfs/dbraw/zinc/23/05/01/569230501.db2.gz MSAUDKBUCDWFTC-UHFFFAOYSA-N 1 0 442.560 2.025 40 0 IEABRO O=C(c1ccccn1)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699448 569230584 /nfs/dbraw/zinc/23/05/84/569230584.db2.gz UDOTTWFFCCYJMX-UHFFFAOYSA-N 1 0 447.539 2.273 40 0 IEABRO O=C(c1ccccn1)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699864 569230865 /nfs/dbraw/zinc/23/08/65/569230865.db2.gz ZAKGKPXHOFICGX-HXUWFJFHSA-N 1 0 447.539 2.273 40 0 IEABRO CC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCc3ccccc3F)C1)C2=O ZINC000019699827 569230875 /nfs/dbraw/zinc/23/08/75/569230875.db2.gz YLEZBLUNJWFVPA-SFHVURJKSA-N 1 0 430.524 2.156 40 0 IEABRO COc1ccccc1C(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](CC(C)C)CC3)C2=O)C1 ZINC000019699786 569230877 /nfs/dbraw/zinc/23/08/77/569230877.db2.gz FHSVPRIRVDCRJW-GOSISDBHSA-N 1 0 442.560 2.342 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccccc3OC)C1)C2=O ZINC000019700009 569231011 /nfs/dbraw/zinc/23/10/11/569231011.db2.gz MIEKBBOWXCTGKK-QGZVFWFLSA-N 1 0 428.533 2.096 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3cccc(OC)c3)C1)C2=O ZINC000019700030 569231046 /nfs/dbraw/zinc/23/10/46/569231046.db2.gz GXUMWRLMQVWHDS-IBGZPJMESA-N 1 0 442.560 2.025 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cc3cccc(F)c3)CC1)C2=O ZINC000019700670 569231191 /nfs/dbraw/zinc/23/11/91/569231191.db2.gz GJHNAIYXFBGCHX-UHFFFAOYSA-N 1 0 444.551 2.403 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cc3ccc(F)cc3)CC1)C2=O ZINC000019700724 569231253 /nfs/dbraw/zinc/23/12/53/569231253.db2.gz CAHWREVFKYIMHD-UHFFFAOYSA-N 1 0 444.551 2.403 40 0 IEABRO CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](c2nc(C[NH2+]C)cc(N(C)C)n2)C1 ZINC000019709620 569234784 /nfs/dbraw/zinc/23/47/84/569234784.db2.gz CTGUUCYQZZNPFQ-INIZCTEOSA-N 1 0 445.589 2.075 40 0 IEABRO COc1ccc(-c2cn(C[C@H]3C[C@H]4CC[N@@H+]3C[C@@H]4C(=O)NCc3cccnc3)nn2)cc1 ZINC000008254194 569462525 /nfs/dbraw/zinc/46/25/25/569462525.db2.gz QCCOIFVXUGDRON-SJBKTWHCSA-N 1 0 432.528 2.376 40 0 biogenic,in-vitro IEABRO C[NH+](C)CCNc1nc(-c2ccncc2)cc(=NNc2ccc(N[SH](=O)=O)cc2)[nH]1 ZINC000328960930 569582826 /nfs/dbraw/zinc/58/28/26/569582826.db2.gz AZQJERJMNYUPNL-UHFFFAOYSA-N 1 0 428.522 2.720 40 0 IEABRO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4C4CC[NH+](C)CC4)n3)ccn2)CC1 ZINC000049154979 291330549 /nfs/dbraw/zinc/33/05/49/291330549.db2.gz GKNUTLPFYKBYEK-FQEVSTJZSA-N 1 0 439.564 2.031 40 0 biogenic,in-vitro IEABRO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4C4CCOCC4)n3)ccn2)CC1 ZINC000049155002 291330595 /nfs/dbraw/zinc/33/05/95/291330595.db2.gz CHZDUUGPBBOMEY-IBGZPJMESA-N 1 0 426.521 2.116 40 0 biogenic,in-vitro IEABRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)cc1 ZINC000096113491 291335714 /nfs/dbraw/zinc/33/57/14/291335714.db2.gz GPAVCRUKHYJXAP-RTBURBONSA-N 1 0 428.533 2.415 40 0 biogenic,in-vitro IEABRO O=C([C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1)N1CCOCC1 ZINC000008299253 291338894 /nfs/dbraw/zinc/33/88/94/291338894.db2.gz QZTNIEZCBDNGNP-QFUCXCTJSA-N 1 0 427.574 2.140 40 0 biogenic,in-vitro IEABRO CCOc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCC(=O)NC(C)(C)C ZINC000022109361 520714276 /nfs/dbraw/zinc/71/42/76/520714276.db2.gz MYDLNAJVZQSLGW-UHFFFAOYSA-N 1 0 436.582 2.174 40 0 IEABRO CCOC(=O)C[C@@H]1CCN(C(=O)NC2CCCCC2)C[C@@H]1CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000020462860 520854415 /nfs/dbraw/zinc/85/44/15/520854415.db2.gz VODQUMHBCWZLNO-BJLQDIEVSA-N 1 0 436.597 2.260 40 0 biogenic,in-vitro IEABRO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4C4CCOCC4)n3)ccn2)CC1 ZINC000035424718 526857799 /nfs/dbraw/zinc/85/77/99/526857799.db2.gz UCOHFLDZNPAEOD-SFHVURJKSA-N 1 0 426.521 2.149 40 0 biogenic,in-vitro IEABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1OC ZINC000408710147 556116872 /nfs/dbraw/zinc/11/68/72/556116872.db2.gz QDMWLJVHTLIBMK-SFHVURJKSA-N 1 0 438.528 2.164 40 0 IEABRO COc1ccccc1CNC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008254507 556154927 /nfs/dbraw/zinc/15/49/27/556154927.db2.gz DCIGRLJGOXTKHV-RLLQIKCJSA-N 1 0 432.528 2.376 40 0 biogenic,in-vitro IEABRO COc1ccc(Cl)cc1N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000013632643 556539837 /nfs/dbraw/zinc/53/98/37/556539837.db2.gz XVOSCZSWNJUOJP-UHFFFAOYSA-N 1 0 425.938 2.222 40 0 IEABRO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000072345340 556609514 /nfs/dbraw/zinc/60/95/14/556609514.db2.gz WILDIILMECNOTF-GIVPXCGWSA-N 1 0 438.572 2.263 40 0 IEABRO CCOc1ccc(C(=O)NC(=S)NCCCN2CCOCC2)cc1Br ZINC000016692126 556627320 /nfs/dbraw/zinc/62/73/20/556627320.db2.gz GATLWGDOEYCQDK-UHFFFAOYSA-N 1 0 430.368 2.174 40 0 IEABRO CC1CC[NH+](CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 ZINC000044914122 556681434 /nfs/dbraw/zinc/68/14/34/556681434.db2.gz NDXGZESKHFOYQP-SFHVURJKSA-N 1 0 429.970 2.105 40 0 IEABRO Cc1cccc(CS(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019235093 556719410 /nfs/dbraw/zinc/71/94/10/556719410.db2.gz BABONRDLLMQLHP-NHCUHLMSSA-N 1 0 443.617 2.492 40 0 IEABRO Cc1nc(N2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3cccnc3)C2)cc(N)[nH+]1 ZINC000019240914 556726862 /nfs/dbraw/zinc/72/68/62/556726862.db2.gz MIQKPJLANBAZPW-SFHVURJKSA-N 1 0 432.532 2.440 40 0 IEABRO Cn1nccc1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019289132 556729214 /nfs/dbraw/zinc/72/92/14/556729214.db2.gz KWBHSKBTHUUFKK-HNNXBMFYSA-N 1 0 438.557 2.143 40 0 IEABRO Cn1cc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](Cc3cccs3)CC4)C2)cn1 ZINC000019290555 556730597 /nfs/dbraw/zinc/73/05/97/556730597.db2.gz CDOZCUZXZYEDDO-OAHLLOKOSA-N 1 0 438.557 2.143 40 0 IEABRO O=C([C@@H]1CCCO1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343622 556741514 /nfs/dbraw/zinc/74/15/14/556741514.db2.gz ZJIIOYLHBBGZEX-BEFAXECRSA-N 1 0 428.558 2.275 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000019448200 556757645 /nfs/dbraw/zinc/75/76/45/556757645.db2.gz WDSWYAGJROIZHG-HXUWFJFHSA-N 1 0 446.573 2.461 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCC([C@H]3C[C@@H](C(=O)NC(C)C)C[N@@H+]3C)CC2)cc1F ZINC000019449760 556760817 /nfs/dbraw/zinc/76/08/17/556760817.db2.gz LCVYUFBTBAOGQV-VQIMIIECSA-N 1 0 441.569 2.080 40 0 IEABRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 ZINC000019456312 556765827 /nfs/dbraw/zinc/76/58/27/556765827.db2.gz TUZGCIFEZJPUCT-INIZCTEOSA-N 1 0 426.546 2.153 40 0 IEABRO CCn1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)c(C)n1 ZINC000019524653 556782148 /nfs/dbraw/zinc/78/21/48/556782148.db2.gz QCCOMOZITXCXCM-GOSISDBHSA-N 1 0 448.593 2.389 40 0 IEABRO CN1C[C@H](C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](CC2CCCCC2)C3)CC1=O ZINC000019587273 556823722 /nfs/dbraw/zinc/82/37/22/556823722.db2.gz WOVMGSVSPMTJJD-YLJYHZDGSA-N 1 0 441.576 2.262 40 0 IEABRO C[N@@H+]1C[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)[C@@H](c2ccnc(N3CCOCC3)n2)C1 ZINC000019590797 556825295 /nfs/dbraw/zinc/82/52/95/556825295.db2.gz WHERDHRNTFYSDY-ROUUACIJSA-N 1 0 449.477 2.294 40 0 IEABRO COc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)cc1OC ZINC000019590249 556825383 /nfs/dbraw/zinc/82/53/83/556825383.db2.gz ZFJJUQXVBOKMNT-MRXNPFEDSA-N 1 0 426.517 2.136 40 0 IEABRO COCCOc1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3CC2)ccc1OC ZINC000019593631 556829653 /nfs/dbraw/zinc/82/96/53/556829653.db2.gz LUHWGXQIBDYQDN-UHFFFAOYSA-N 1 0 436.512 2.467 40 0 IEABRO CCc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2CCC[NH+](C)C)s1 ZINC000006860972 556839899 /nfs/dbraw/zinc/83/98/99/556839899.db2.gz FXSYNXUOMIPFPP-UHFFFAOYSA-N 1 0 432.579 2.437 40 0 IEABRO O=C(C[NH+]1CCCCCC1)N1CCO[C@@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697653 556855353 /nfs/dbraw/zinc/85/53/53/556855353.db2.gz WKHKVOUCFMMIKG-GOSISDBHSA-N 1 0 445.585 2.399 40 0 IEABRO CN(Cc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(N)=O)cc1)S(=O)(=O)CCCc1ccccc1 ZINC000019699215 556858258 /nfs/dbraw/zinc/85/82/58/556858258.db2.gz QODATGOTPJYHIW-YADHBBJMSA-N 1 0 429.586 2.212 40 0 IEABRO CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3cccc(F)c3)CC1)C2=O ZINC000019699371 556858503 /nfs/dbraw/zinc/85/85/03/556858503.db2.gz CROLALFKIDILSQ-UHFFFAOYSA-N 1 0 430.524 2.359 40 0 IEABRO O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1[C@@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000019699646 556859326 /nfs/dbraw/zinc/85/93/26/556859326.db2.gz HHCYRDDPUWHSRI-HXUWFJFHSA-N 1 0 436.560 2.003 40 0 IEABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccc(OC)cc1)C2 ZINC000019708720 556870273 /nfs/dbraw/zinc/87/02/73/556870273.db2.gz PQKIWLRNPVOUNI-OAHLLOKOSA-N 1 0 431.562 2.083 40 0 IEABRO CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)CC[C@H](C)[NH+]1CCCC1)C2 ZINC000019710920 556874843 /nfs/dbraw/zinc/87/48/43/556874843.db2.gz WMZUYTCFPAIRFX-KRWDZBQOSA-N 1 0 442.608 2.393 40 0 IEABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CN(S(=O)(=O)c1cc(C)c(OC)cc1C)CC2 ZINC000019711373 556875744 /nfs/dbraw/zinc/87/57/44/556875744.db2.gz NEQMTKALHTYJKZ-UHFFFAOYSA-N 1 0 445.589 2.358 40 0 IEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CN(C(=O)CC1(NC(C)=O)CCCCC1)CC2 ZINC000019711369 556875770 /nfs/dbraw/zinc/87/57/70/556875770.db2.gz QKJUGUBAJJUNSM-UHFFFAOYSA-N 1 0 442.608 2.441 40 0 IEABRO O=C(Cn1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)ccc1=O)NCc1ccccc1 ZINC000019751029 556895025 /nfs/dbraw/zinc/89/50/25/556895025.db2.gz KJDNLNQOWQMNEF-JOCHJYFZSA-N 1 0 436.556 2.255 40 0 IEABRO O=C(Cn1cc(C(=O)N2CCC[C@H](C[NH+]3CCCC3)C2)ccc1=O)NCc1ccccc1 ZINC000019751017 556895042 /nfs/dbraw/zinc/89/50/42/556895042.db2.gz SMYLMWRJPDKGHC-OAQYLSRUSA-N 1 0 436.556 2.113 40 0 IEABRO O=C(Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O)N1CC[NH+](C2CCCC2)CC1 ZINC000019751396 556895535 /nfs/dbraw/zinc/89/55/35/556895535.db2.gz WRHIWIHHNQMSEJ-UHFFFAOYSA-N 1 0 426.492 2.327 40 0 IEABRO Cc1cccc(Nc2ccc([C@H]3CCC[N@H+](CC(=O)N4CCC(C(N)=O)CC4)C3)nc2)n1 ZINC000072353321 556926317 /nfs/dbraw/zinc/92/63/17/556926317.db2.gz SPMBGQFNZCMHOA-IBGZPJMESA-N 1 0 436.560 2.432 40 0 IEABRO Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000072354980 556930152 /nfs/dbraw/zinc/93/01/52/556930152.db2.gz ZXDBVTWGEBJCGE-UHFFFAOYSA-N 1 0 437.588 2.473 40 0 IEABRO CNc1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)n1 ZINC000072370169 556933952 /nfs/dbraw/zinc/93/39/52/556933952.db2.gz LCJUBXNIGBQUNP-OAHLLOKOSA-N 1 0 438.532 2.367 40 0 IEABRO CNc1nc(C2CCN(C(=O)CC[C@@H](C)[NH+]3CCCC3)CC2)nc2c1CCN(C(C)=O)C2 ZINC000072372408 556942503 /nfs/dbraw/zinc/94/25/03/556942503.db2.gz WUHICWUKJXYEFS-QGZVFWFLSA-N 1 0 442.608 2.393 40 0 IEABRO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@H+](CC(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000072376021 556953822 /nfs/dbraw/zinc/95/38/22/556953822.db2.gz OBMDANWUYMDBES-LJQANCHMSA-N 1 0 436.560 2.432 40 0 IEABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccnn4[C@@H]4CCCCO4)C[C@H]32)c(OC)n1 ZINC000072392628 556963913 /nfs/dbraw/zinc/96/39/13/556963913.db2.gz VZNZLVZGEPVXTE-TUXJCPBXSA-N 1 0 429.521 2.119 40 0 IEABRO COc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)ccc1OCC(N)=O ZINC000072393252 556964369 /nfs/dbraw/zinc/96/43/69/556964369.db2.gz VTWQZTOXOGJCTA-KRWDZBQOSA-N 1 0 449.511 2.084 40 0 IEABRO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393405 556964793 /nfs/dbraw/zinc/96/47/93/556964793.db2.gz YOAUGZAXKHUNBU-UHFFFAOYSA-N 1 0 444.963 2.270 40 0 IEABRO O=C(c1cnccn1)N1CCc2nc(C3CC[NH+](Cc4ccc(F)cc4)CC3)[nH]c(=O)c2C1 ZINC000072399014 556971326 /nfs/dbraw/zinc/97/13/26/556971326.db2.gz MRNNLCVRRACTSO-UHFFFAOYSA-N 1 0 448.502 2.277 40 0 IEABRO C[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)Cc2ccc(N(C)C)cc2)CC3)C[C@H]1O ZINC000585103002 557037163 /nfs/dbraw/zinc/03/71/63/557037163.db2.gz AXNUXDVZSSKJNJ-WTIAFYNJSA-N 1 0 429.605 2.396 40 0 IEABRO COCCn1nnnc1[C@@H](c1ccc(OC)cc1OC)N1CC[NH+](C2CCCCC2)CC1 ZINC000022928884 557049467 /nfs/dbraw/zinc/04/94/67/557049467.db2.gz IRAKABVEIGFNHF-JOCHJYFZSA-N 1 0 444.580 2.376 40 0 IEABRO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCN2CC[NH+](C)CC2)ccc1C ZINC000022933442 557051311 /nfs/dbraw/zinc/05/13/11/557051311.db2.gz YFEDOYZTSLHAKR-UHFFFAOYSA-N 1 0 444.601 2.472 40 0 IEABRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2C)cc1 ZINC000022933916 557051699 /nfs/dbraw/zinc/05/16/99/557051699.db2.gz UUXNWTYTEFKSLY-UHFFFAOYSA-N 1 0 444.601 2.472 40 0 IEABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000006196617 557148960 /nfs/dbraw/zinc/14/89/60/557148960.db2.gz MHNINFMFLUGGMQ-LJQANCHMSA-N 1 0 432.590 2.344 40 0 IEABRO CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](Cc2ccc(C)s2)CC3)C1=O ZINC000096036536 557163356 /nfs/dbraw/zinc/16/33/56/557163356.db2.gz ZJXYCEPOCFJPOP-FQEVSTJZSA-N 1 0 425.620 2.153 40 0 IEABRO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2cc(F)cc(F)c2)CC3)C1=O ZINC000096144362 557172421 /nfs/dbraw/zinc/17/24/21/557172421.db2.gz OPMXPMFQLFIUNF-HSZRJFAPSA-N 1 0 435.515 2.388 40 0 IEABRO C[NH+](C)C1CCN(C(=O)c2cc(-c3cnc(N4CCOCC4)nc3)cn2CC2CC2)CC1 ZINC000096147693 557177523 /nfs/dbraw/zinc/17/75/23/557177523.db2.gz RVYODOQPXPOHPQ-UHFFFAOYSA-N 1 0 438.576 2.358 40 0 IEABRO Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C4CCCC4)CCC[C@]3(C(=O)NCC3CC3)C2)cn1 ZINC000096251464 557188535 /nfs/dbraw/zinc/18/85/35/557188535.db2.gz HHPDPYXQPVYBNY-QPPBQGQZSA-N 1 0 427.593 2.177 40 0 IEABRO CCCCCCn1c(N2CC[NH+](CCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000096306423 557195840 /nfs/dbraw/zinc/19/58/40/557195840.db2.gz TZKDTKLUBPHNHL-UHFFFAOYSA-N 1 0 438.576 2.368 40 0 IEABRO O=C1NCCN1CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000585268842 557210299 /nfs/dbraw/zinc/21/02/99/557210299.db2.gz SRQXONCKSOYYBV-SFTDATJTSA-N 1 0 431.920 2.368 40 0 IEABRO O=C(C[N@H+]1CCC[C@](O)(COc2ccccc2F)CC1)NCc1cccc2c1OCO2 ZINC000585271497 557213303 /nfs/dbraw/zinc/21/33/03/557213303.db2.gz AHVZYGITHWBEEQ-HSZRJFAPSA-N 1 0 430.476 2.467 40 0 IEABRO O=C(COc1ccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1)N1CCOCC1 ZINC000585270454 557214232 /nfs/dbraw/zinc/21/42/32/557214232.db2.gz KOCAAVLNODWLTI-RUZDIDTESA-N 1 0 440.540 2.330 40 0 IEABRO COc1cccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCCN3CCOCC3)cc2)c1 ZINC000585271429 557214523 /nfs/dbraw/zinc/21/45/23/557214523.db2.gz FQASGTIIDMMYGA-OAQYLSRUSA-N 1 0 430.545 2.278 40 0 IEABRO COc1cc(C[N@H+](C)C[C@@H](O)COc2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272688 557217101 /nfs/dbraw/zinc/21/71/01/557217101.db2.gz LWXALSSGOLFYRW-OAQYLSRUSA-N 1 0 430.545 2.278 40 0 IEABRO Cc1cc(N(CC(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)ccc1Br ZINC000010450129 557221791 /nfs/dbraw/zinc/22/17/91/557221791.db2.gz TYVOFVIJNKYICN-UHFFFAOYSA-N 1 0 432.384 2.126 40 0 IEABRO OC1(C[N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCN(c2ccc(F)cc2)CC1 ZINC000585283585 557223097 /nfs/dbraw/zinc/22/30/97/557223097.db2.gz RZUPDAGUYMURHM-XMMPIXPASA-N 1 0 448.510 2.438 40 0 IEABRO OC1(C[N@@H+]2CCOC[C@](O)(COc3ccccc3)C2)CCN(c2ccccc2F)CC1 ZINC000585286712 557225564 /nfs/dbraw/zinc/22/55/64/557225564.db2.gz HXSNSPLKETWIQY-DEOSSOPVSA-N 1 0 430.520 2.299 40 0 IEABRO COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](C4CCC(F)(F)CC4)C3)C2)c1 ZINC000604382659 557237009 /nfs/dbraw/zinc/23/70/09/557237009.db2.gz XSIAYUCGOAUTDI-LJQANCHMSA-N 1 0 435.515 2.484 40 0 biogenic,in-vitro IEABRO CCCCN1C(=O)[C@H]2[C@@H](Cc3ccc(O)cc3)[NH2+][C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O ZINC000103088087 557312647 /nfs/dbraw/zinc/31/26/47/557312647.db2.gz AEIZHXWFYSWLLE-KCOOYEKVSA-N 1 0 437.471 2.295 40 0 IEABRO C[NH+]1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC000108204970 557338364 /nfs/dbraw/zinc/33/83/64/557338364.db2.gz IZHWGEWXDGHMMI-CQSZACIVSA-N 1 0 444.395 2.060 40 0 IEABRO C[C@@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)OC5C[C@H]6CC[C@@H](C5)[N@H+]6C)nc4c23)C1 ZINC000013566312 557344260 /nfs/dbraw/zinc/34/42/60/557344260.db2.gz ACHHTMXMBVPGDS-JKXDFHQYSA-N 1 0 441.557 2.399 40 0 IEABRO Cc1ccc(C)c(N(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000113934089 557379150 /nfs/dbraw/zinc/37/91/50/557379150.db2.gz MJDOFSBARAAKLB-UHFFFAOYSA-N 1 0 430.574 2.460 40 0 IEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223691908 557502794 /nfs/dbraw/zinc/50/27/94/557502794.db2.gz ANEOJVYFOSHCFF-QGZVFWFLSA-N 1 0 441.594 2.095 40 0 IEABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCC2)c2cc3ccc(OC)cc3[nH]c2=O)CC1 ZINC000019940374 557510226 /nfs/dbraw/zinc/51/02/26/557510226.db2.gz QWRHVGZRZYEBRM-OAQYLSRUSA-N 1 0 437.548 2.365 40 0 IEABRO CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000224247054 557580955 /nfs/dbraw/zinc/58/09/55/557580955.db2.gz KKVGQITZILMYFJ-UHFFFAOYSA-N 1 0 445.585 2.344 40 0 IEABRO COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000224351421 557596567 /nfs/dbraw/zinc/59/65/67/557596567.db2.gz VLFHOTCFELKLMA-UHFFFAOYSA-N 1 0 425.938 2.465 40 0 IEABRO CN(c1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1)S(C)(=O)=O ZINC000224638216 557634367 /nfs/dbraw/zinc/63/43/67/557634367.db2.gz AWIJCGNVQJAISD-UHFFFAOYSA-N 1 0 431.558 2.373 40 0 IEABRO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1F ZINC000224639188 557634548 /nfs/dbraw/zinc/63/45/48/557634548.db2.gz GDTIDZMMPDTERZ-UHFFFAOYSA-N 1 0 433.549 2.500 40 0 IEABRO CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)Oc2ccccc21 ZINC000224786391 557651197 /nfs/dbraw/zinc/65/11/97/557651197.db2.gz FEWJHHNDIQGGSN-NRFANRHFSA-N 1 0 429.542 2.126 40 0 IEABRO CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2cc(F)c(C)c3c2c1[C@@H]([NH3+])CC3 ZINC000003800855 557850638 /nfs/dbraw/zinc/85/06/38/557850638.db2.gz ZVYVPGLRVWUPMP-FYSMJZIKSA-N 1 0 435.455 2.473 40 0 investigational IEABRO COc1cccc(N2CCC(O)(C[N@@H+]3CCOC[C@@](O)(COc4ccccc4)C3)CC2)c1 ZINC000585288270 568619307 /nfs/dbraw/zinc/61/93/07/568619307.db2.gz ZVDYTYYOJXICKA-RUZDIDTESA-N 1 0 442.556 2.169 40 0 IEABRO COC1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2cncc(C)c2)CC1 ZINC000257209414 568669454 /nfs/dbraw/zinc/66/94/54/568669454.db2.gz BQGVAEXMSZQIKO-LUKWVAJMSA-N 1 0 425.529 2.180 40 0 IEABRO C[C@@H]([NH3+])C(=O)N1CCC2(CC1)CO[C@@]1(C)CC[C@H]3OC(C)(C)[C@H](O)CC[C@]3(C)O[C@@H]1C2 ZINC000257214182 568671761 /nfs/dbraw/zinc/67/17/61/568671761.db2.gz CKXMBUNYPVMHLI-WYIZHRONSA-N 1 0 438.609 2.378 40 0 IEABRO Cc1cn([C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]2O)c(=O)[nH]c1=O ZINC000257218810 568673651 /nfs/dbraw/zinc/67/36/51/568673651.db2.gz DEMJQGWRCLVIGZ-SFTDATJTSA-N 1 0 440.544 2.081 40 0 IEABRO CC(=O)Nc1nc2nc(C3CC[NH+](C4CCN(S(C)(=O)=O)CC4)CC3)ccc2s1 ZINC000257220299 568674294 /nfs/dbraw/zinc/67/42/94/568674294.db2.gz DKHVJLQBYWVREU-UHFFFAOYSA-N 1 0 437.591 2.253 40 0 IEABRO CC(=O)NCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCC(C(C)(C)C)CC1 ZINC000257237676 568682778 /nfs/dbraw/zinc/68/27/78/568682778.db2.gz HHPBXTHUDWQAJY-SCPDWHHUSA-N 1 0 449.567 2.085 40 0 IEABRO COC1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2cccc(C)n2)CC1 ZINC000257238759 568683176 /nfs/dbraw/zinc/68/31/76/568683176.db2.gz HMKQBSPVJPYODK-LUKWVAJMSA-N 1 0 425.529 2.180 40 0 IEABRO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@](O)(Cn3cccn3)C2)cc1NCc1ccccn1 ZINC000257246613 568686933 /nfs/dbraw/zinc/68/69/33/568686933.db2.gz IUWLNWYHKVZNCC-XMMPIXPASA-N 1 0 434.544 2.018 40 0 IEABRO CN1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CN(Cc3cccnc3)CCO2)CC1 ZINC000257256814 568691890 /nfs/dbraw/zinc/69/18/90/568691890.db2.gz KNAGDWNKQRWZBH-DEOSSOPVSA-N 1 0 442.535 2.035 40 0 IEABRO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)C3(Cc4ccccc4)CC[NH+](C)CC3)C2)ncn1 ZINC000257259947 568692943 /nfs/dbraw/zinc/69/29/43/568692943.db2.gz LASVFMMEXBQITR-RUZDIDTESA-N 1 0 437.588 2.139 40 0 IEABRO CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1ccc(OCCC[NH3+])cc1 ZINC000257261271 568693892 /nfs/dbraw/zinc/69/38/92/568693892.db2.gz LGMUTRXBZSBGHH-VWLOTQADSA-N 1 0 449.555 2.461 40 0 IEABRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H]3[C@H]2CCCCN3CC(N)=O)c(OCC(N)=O)c1 ZINC000257270621 568697933 /nfs/dbraw/zinc/69/79/33/568697933.db2.gz MUYMKVGFMGGPCF-WOJBJXKFSA-N 1 0 430.593 2.152 40 0 IEABRO C[NH+]1CCC(C(=O)N2CC[C@@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)CC1 ZINC000257293543 568708201 /nfs/dbraw/zinc/70/82/01/568708201.db2.gz QPZGFXZVTKISMN-QGZVFWFLSA-N 1 0 442.585 2.426 40 0 IEABRO C[N@@H+]1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257304307 568713254 /nfs/dbraw/zinc/71/32/54/568713254.db2.gz SKZBOLJVQMJVLQ-FQEVSTJZSA-N 1 0 432.572 2.468 40 0 IEABRO C[N@@H+]1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257304308 568713344 /nfs/dbraw/zinc/71/33/44/568713344.db2.gz SKZBOLJVQMJVLQ-HXUWFJFHSA-N 1 0 432.572 2.468 40 0 IEABRO NC(=O)CCn1cc(C[N@@H+]2CCC[C@]3(Cc4c([nH]c(=O)[nH]c4=O)O3)CC2)c2ccccc21 ZINC000257318563 568719344 /nfs/dbraw/zinc/71/93/44/568719344.db2.gz VOMKETXMVPYDRW-HSZRJFAPSA-N 1 0 437.500 2.078 40 0 IEABRO CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000257320210 568719861 /nfs/dbraw/zinc/71/98/61/568719861.db2.gz VVUAYNORCODSMQ-DEOSSOPVSA-N 1 0 439.560 2.055 40 0 IEABRO COc1ccc(C[N@H+](C)[C@H]2CN(CC(=O)Nc3ccnn3C3CCCC3)C[C@@H]2O)cc1 ZINC000257330372 568724340 /nfs/dbraw/zinc/72/43/40/568724340.db2.gz XOCHYCTYHPVKBT-SFTDATJTSA-N 1 0 427.549 2.122 40 0 IEABRO Cc1ccc2nccc(N3CCC[C@@](O)(CN(C)C(=O)c4ccc(OCC[NH3+])cc4)C3)c2n1 ZINC000257334561 568726324 /nfs/dbraw/zinc/72/63/24/568726324.db2.gz YGLJRCACPFCAPJ-RUZDIDTESA-N 1 0 449.555 2.379 40 0 IEABRO COc1ccc(CN2CCO[C@@]3(C[N@H+](Cc4cnn(C)c4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306125498 568763789 /nfs/dbraw/zinc/76/37/89/568763789.db2.gz CSOACUNZUPNPRK-UKILVPOCSA-N 1 0 447.539 2.221 40 0 IEABRO CCc1ccc(C[N@@H+]2CC[C@@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)cc1 ZINC000306127210 568764714 /nfs/dbraw/zinc/76/47/14/568764714.db2.gz FRTTXFMGIRFPOR-HSZRJFAPSA-N 1 0 437.569 2.328 40 0 IEABRO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CC[N@@H+](Cc3ccc(F)cc3)C1)C2 ZINC000306131617 568766927 /nfs/dbraw/zinc/76/69/27/568766927.db2.gz KKAUNBLNAGHEKK-QHCPKHFHSA-N 1 0 428.508 2.299 40 0 IEABRO CS(=O)(=O)N[C@@H]1CCN(C(=O)NC2CCCC2)C[C@]12CC[N@H+](Cc1cccs1)C2 ZINC000306134574 568768437 /nfs/dbraw/zinc/76/84/37/568768437.db2.gz NSJIFSWPFGDBFM-UYAOXDASSA-N 1 0 440.635 2.216 40 0 IEABRO CS(=O)(=O)N[C@H]1CCN(C(=O)NC2CCCC2)C[C@]12CC[N@H+](Cc1cccs1)C2 ZINC000306134571 568768526 /nfs/dbraw/zinc/76/85/26/568768526.db2.gz NSJIFSWPFGDBFM-AZUAARDMSA-N 1 0 440.635 2.216 40 0 IEABRO Cc1nc(C(=O)N2CCC3(CC2)C[N@H+](C)C[C@@H](C(=O)NCc2ccc(F)cc2)O3)cs1 ZINC000306135665 568769247 /nfs/dbraw/zinc/76/92/47/568769247.db2.gz OXIJNNAMOLMGPC-IBGZPJMESA-N 1 0 446.548 2.212 40 0 IEABRO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@H+](Cc4ccc(C)s4)C2)C3)cc1 ZINC000306138713 568770649 /nfs/dbraw/zinc/77/06/49/568770649.db2.gz SFDIVIJOYHSAHN-QHCPKHFHSA-N 1 0 438.553 2.280 40 0 IEABRO COc1ncccc1C[N@@H+]1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306139315 568771295 /nfs/dbraw/zinc/77/12/95/568771295.db2.gz SUKKVFXLXVYMIQ-RDGATRHJSA-N 1 0 445.523 2.277 40 0 IEABRO Cc1ncsc1C[N@@H+]1CC[C@H]2C(N3CCN(C(=O)c4ccccc4)CC3)=NO[C@H]2C1 ZINC000306140439 568771788 /nfs/dbraw/zinc/77/17/88/568771788.db2.gz UTUGCDBRRGZVBK-MOPGFXCFSA-N 1 0 425.558 2.444 40 0 IEABRO Cc1ccc(C[N@@H+]2CC[C@@]3(Cc4nn(Cc5csc(C)n5)c(=O)c(=O)n4C3)C2)s1 ZINC000306143229 568773117 /nfs/dbraw/zinc/77/31/17/568773117.db2.gz XWSZNWAGTNAJGK-HXUWFJFHSA-N 1 0 429.571 2.037 40 0 IEABRO CC(C)Nc1nc(NCCN2CC[NH+](C)CC2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329021375 568809479 /nfs/dbraw/zinc/80/94/79/568809479.db2.gz OGVGFDHZYYNGGH-UHFFFAOYSA-N 1 0 438.498 2.366 40 0 IEABRO CCOCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000057773663 568909077 /nfs/dbraw/zinc/90/90/77/568909077.db2.gz CXNPNFWYIHIFCA-VXKWHMMOSA-N 1 0 439.556 2.102 40 0 IEABRO CCCCOc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc1 ZINC000224319308 568917976 /nfs/dbraw/zinc/91/79/76/568917976.db2.gz JBPVDKYJYCCGFF-UHFFFAOYSA-N 1 0 425.533 2.455 40 0 IEABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CCOC4)[nH]c(=O)c3C2)cc1 ZINC000247891988 569206374 /nfs/dbraw/zinc/20/63/74/569206374.db2.gz MXFAMQBQRSOSMT-LAUBAEHRSA-N 1 0 438.528 2.449 40 0 IEABRO COc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2cc(C)cc(C)c2)cc1OC ZINC000010111580 569221153 /nfs/dbraw/zinc/22/11/53/569221153.db2.gz UCRLVNWZFGALCM-UHFFFAOYSA-N 1 0 449.573 2.194 40 0 IEABRO COc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000010111584 569221173 /nfs/dbraw/zinc/22/11/73/569221173.db2.gz WXAHXFYGPWUQSO-UHFFFAOYSA-N 1 0 425.938 2.222 40 0 IEABRO C[C@H]1C[C@@H]1C(=O)N1CCC(N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699329 569230452 /nfs/dbraw/zinc/23/04/52/569230452.db2.gz ZTPILHZUZBFEJL-RXVVDRJESA-N 1 0 438.572 2.263 40 0 IEABRO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3cccnc3)CC1)C2=O ZINC000019699413 569230593 /nfs/dbraw/zinc/23/05/93/569230593.db2.gz ATFUWTXQTAXLQG-UHFFFAOYSA-N 1 0 447.539 2.273 40 0 IEABRO O=C(C1CCC1)N1CCC[C@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699853 569230853 /nfs/dbraw/zinc/23/08/53/569230853.db2.gz IIYDCDOSWLZRCF-NRFANRHFSA-N 1 0 438.572 2.407 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3F)C1)C2=O ZINC000019699925 569230896 /nfs/dbraw/zinc/23/08/96/569230896.db2.gz VAOUPWMBNGVVAU-SFHVURJKSA-N 1 0 430.524 2.156 40 0 IEABRO CC(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699961 569231042 /nfs/dbraw/zinc/23/10/42/569231042.db2.gz KDJILJSFNBEMRI-FQEVSTJZSA-N 1 0 426.561 2.263 40 0 IEABRO CC(C)C(=O)N1CCC(CN2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019700708 569231283 /nfs/dbraw/zinc/23/12/83/569231283.db2.gz GLEDWIIMGLAEMX-UHFFFAOYSA-N 1 0 426.561 2.468 40 0 IEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccc(F)cc3)CC1)C2=O ZINC000019701361 569231318 /nfs/dbraw/zinc/23/13/18/569231318.db2.gz USDXKLNMSIUBDO-UHFFFAOYSA-N 1 0 444.551 2.402 40 0 IEABRO CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc([C@H]2CCCC[NH2+]2)n1 ZINC000019709940 569234922 /nfs/dbraw/zinc/23/49/22/569234922.db2.gz MNBMOKPLXYSCAQ-GOSISDBHSA-N 1 0 444.561 2.038 40 0 IEABRO CC(=O)N1CCC([NH2+]C[C@H]2O[C@H](Cc3cc(-c4cccc(O)c4)on3)CC[C@@H]2O)CC1 ZINC000077263203 291330581 /nfs/dbraw/zinc/33/05/81/291330581.db2.gz BWHWAHWCJRIRND-QNWVGRARSA-N 1 0 429.517 2.099 40 0 biogenic,in-vitro IEABRO COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH2+][C@H]4CCC[C@@H](C)C4)[C@@H](O)[C@H]3O2)cc1 ZINC000225512792 291335523 /nfs/dbraw/zinc/33/55/23/291335523.db2.gz DCWNLFIHGAMSMK-KZYVHDELSA-N 1 0 432.561 2.156 40 0 biogenic,in-vitro IEABRO [NH3+]CCN1C(=O)CO[C@H](c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)[C@H]1CO ZINC000072321377 291337924 /nfs/dbraw/zinc/33/79/24/291337924.db2.gz POWRLORGQCXLOR-IEBWSBKVSA-N 1 0 437.418 2.177 40 0 biogenic,in-vitro IEABRO COc1ccccc1N1CCN(C(=O)[C@H]2O[C@H](CC[NH+]3CCCCC3)CC[C@@H]2O)CC1 ZINC000030879078 291336489 /nfs/dbraw/zinc/33/64/89/291336489.db2.gz QCWHWSYDTGSEFE-RRPUWOKSSA-N 1 0 431.577 2.128 40 0 biogenic,in-vitro IEABRO O=C(NCc1cccnc1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000008254211 291338263 /nfs/dbraw/zinc/33/82/63/291338263.db2.gz VIPRPEBVRMSFFN-LSWJPFSZSA-N 1 0 432.528 2.279 40 0 biogenic,in-vitro IEABRO CC(=O)NCCNC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CSc2ccccc2)on1 ZINC000012481931 519664455 /nfs/dbraw/zinc/66/44/55/519664455.db2.gz SJSXMWCVSDNNHI-ROUUACIJSA-N 1 0 430.574 2.378 40 0 biogenic,in-vitro IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(F)cc3)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020674743 521280283 /nfs/dbraw/zinc/28/02/83/521280283.db2.gz YLXNIKMINVGLMS-WOJBJXKFSA-N 1 0 442.466 2.493 40 0 IEABRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OCC[NH3+])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000031841108 522938739 /nfs/dbraw/zinc/93/87/39/522938739.db2.gz AVQJGWBIRNZWFE-COWZOJLOSA-N 1 0 443.452 2.089 40 0 IEABRO Cc1cc(C)[n+](CCOC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)c(C)c1 ZINC000015772587 524210136 /nfs/dbraw/zinc/21/01/36/524210136.db2.gz OMRHMQREOPKGAB-UHFFFAOYSA-N 1 0 441.957 2.425 40 0 IEABRO NC(=O)CC[NH+]1CCC(C(=O)N2Cc3cc(Cl)ccc3OC3(CCOCC3)C2)CC1 ZINC000012122021 526869786 /nfs/dbraw/zinc/86/97/86/526869786.db2.gz RGEKNDBRGLHSAQ-UHFFFAOYSA-N 1 0 435.952 2.198 40 0 IEABRO Cc1nn(-c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n2CC(C)C)c(C)c1C ZINC000012518210 527570685 /nfs/dbraw/zinc/57/06/85/527570685.db2.gz XWXGBENLAUSKEH-UHFFFAOYSA-N 1 0 441.580 2.150 40 0 IEABRO COc1cc([C@@H]2c3cc4c(cc3[C@H](OCC[NH3+])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000001629396 555707107 /nfs/dbraw/zinc/70/71/07/555707107.db2.gz AVQJGWBIRNZWFE-IVENEQQZSA-N 1 0 443.452 2.089 40 0 IEABRO CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)OC(C)(C)C ZINC000005519447 556057857 /nfs/dbraw/zinc/05/78/57/556057857.db2.gz PPOBHQUEJKYAOG-XUVXKRRUSA-N 1 0 431.577 2.339 40 0 IEABRO CC(C)CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 ZINC000009291325 556274286 /nfs/dbraw/zinc/27/42/86/556274286.db2.gz BTIJSQWBEYZNRE-UHFFFAOYSA-N 1 0 438.576 2.224 40 0 IEABRO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](C)C1)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000036719088 556309718 /nfs/dbraw/zinc/30/97/18/556309718.db2.gz ZXSIHGQTZVOSAY-YTZAWJCFSA-N 1 0 427.545 2.202 40 0 IEABRO CC1CC[NH+](CCCNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1 ZINC000010540546 556336214 /nfs/dbraw/zinc/33/62/14/556336214.db2.gz TXQDCELXLXYXDH-UHFFFAOYSA-N 1 0 446.411 2.453 40 0 IEABRO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000013647625 556544526 /nfs/dbraw/zinc/54/45/26/556544526.db2.gz ZSCADABBKBNTBX-UHFFFAOYSA-N 1 0 439.578 2.344 40 0 IEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000013648248 556544786 /nfs/dbraw/zinc/54/47/86/556544786.db2.gz ULINTVGYZPOAEY-UHFFFAOYSA-N 1 0 432.384 2.207 40 0 IEABRO CSCC[C@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000036627021 556598898 /nfs/dbraw/zinc/59/88/98/556598898.db2.gz WIBGGHJXPAPRSW-SFHVURJKSA-N 1 0 445.564 2.064 40 0 IEABRO C[NH+]1CCN(CCCn2ccc3nc4ncnn4c(-c4cccc(Cl)c4)c3c2=O)CC1 ZINC000040398105 556640089 /nfs/dbraw/zinc/64/00/89/556640089.db2.gz PAMSEZAQYGBZDC-UHFFFAOYSA-N 1 0 437.935 2.397 40 0 IEABRO O=C(NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000044845726 556669474 /nfs/dbraw/zinc/66/94/74/556669474.db2.gz MSNMMWDCXWTMLE-UHFFFAOYSA-N 1 0 427.998 2.484 40 0 IEABRO CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1F ZINC000044872669 556673330 /nfs/dbraw/zinc/67/33/30/556673330.db2.gz GRMGXKLSFXQMQA-UHFFFAOYSA-N 1 0 448.564 2.351 40 0 IEABRO COc1cc(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)ccc1OCC(N)=O ZINC000019021102 556693706 /nfs/dbraw/zinc/69/37/06/556693706.db2.gz ANTRULOQZBUUMP-UHFFFAOYSA-N 1 0 429.492 2.326 40 0 IEABRO C[C@@H](C(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1)N1CCOCC1 ZINC000019079944 556695455 /nfs/dbraw/zinc/69/54/55/556695455.db2.gz OHMLQRAVOZVYGK-KRWDZBQOSA-N 1 0 429.540 2.028 40 0 IEABRO C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)CC1 ZINC000257207394 556702031 /nfs/dbraw/zinc/70/20/31/556702031.db2.gz BHNZCISRLCTLSJ-DEOSSOPVSA-N 1 0 441.551 2.018 40 0 IEABRO CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)[C@H](O)C1 ZINC000257216990 556703074 /nfs/dbraw/zinc/70/30/74/556703074.db2.gz CXAGOWTVTXWXMQ-CEMLEFRQSA-N 1 0 443.544 2.481 40 0 IEABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C1)N2 ZINC000019127240 556703510 /nfs/dbraw/zinc/70/35/10/556703510.db2.gz YTRXWUABUZDPQG-LEUOFYLZSA-N 1 0 425.524 2.389 40 0 IEABRO COC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@H](c3csnn3)C2)CC1 ZINC000019211962 556709671 /nfs/dbraw/zinc/70/96/71/556709671.db2.gz JQFBGDPVKAJLLF-RBUKOAKNSA-N 1 0 428.558 2.441 40 0 IEABRO Cc1ccnn1CCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019238402 556723422 /nfs/dbraw/zinc/72/34/22/556723422.db2.gz GPRCIWMSMOHQKR-SFHVURJKSA-N 1 0 438.576 2.372 40 0 IEABRO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@H+](CC3=CCCOC3)C2)n1 ZINC000019404126 556754272 /nfs/dbraw/zinc/75/42/72/556754272.db2.gz IWUNBMUDSHSYRP-FQEVSTJZSA-N 1 0 438.576 2.459 40 0 IEABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2c(F)cccc2F)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450162 556760943 /nfs/dbraw/zinc/76/09/43/556760943.db2.gz JODKFLINCAAZRX-IRXDYDNUSA-N 1 0 445.514 2.332 40 0 IEABRO CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)n1 ZINC000019525799 556783464 /nfs/dbraw/zinc/78/34/64/556783464.db2.gz CPNQZZDQTAVCSG-KRWDZBQOSA-N 1 0 426.565 2.494 40 0 IEABRO Cc1nonc1C(=O)NCC(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000019558852 556800697 /nfs/dbraw/zinc/80/06/97/556800697.db2.gz FISYUIPNDHLRKU-UHFFFAOYSA-N 1 0 445.951 2.464 40 0 IEABRO Cc1sc2c(C3CCN(C(=O)[C@H](C)[NH2+][C@H]4CCS(=O)(=O)C4)CC3)nc(C)n2c1C ZINC000019561763 556803019 /nfs/dbraw/zinc/80/30/19/556803019.db2.gz RVSXYXFSNVPFIZ-SJCJKPOMSA-N 1 0 438.619 2.192 40 0 IEABRO C[C@H]1CCC[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000060644457 556808157 /nfs/dbraw/zinc/80/81/57/556808157.db2.gz HTHNSOVUVPUEBW-KRWDZBQOSA-N 1 0 425.570 2.465 40 0 IEABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)[C@@H]4CCCO4)C3)[nH]c(=O)c2C1 ZINC000019570593 556810750 /nfs/dbraw/zinc/81/07/50/556810750.db2.gz GMGIAKDPRJDNNO-UWJYYQICSA-N 1 0 438.528 2.244 40 0 IEABRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019583341 556820769 /nfs/dbraw/zinc/82/07/69/556820769.db2.gz HSMJRFUEUDVNKF-UYAOXDASSA-N 1 0 447.580 2.323 40 0 IEABRO COCCNC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593506 556829640 /nfs/dbraw/zinc/82/96/40/556829640.db2.gz FOQAQWHWRBLUIE-NHCUHLMSSA-N 1 0 439.560 2.064 40 0 IEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccc(OC)cc1)C2 ZINC000019708721 556870095 /nfs/dbraw/zinc/87/00/95/556870095.db2.gz PQKIWLRNPVOUNI-HNNXBMFYSA-N 1 0 431.562 2.083 40 0 IEABRO CNc1nc([C@H]2CCC[NH2+]C2)nc2c1CCN(C(=O)CN(C)Cc1ccc(OC)cc1)C2 ZINC000019708825 556870320 /nfs/dbraw/zinc/87/03/20/556870320.db2.gz OHMAHUGJCLEESG-SFHVURJKSA-N 1 0 438.576 2.011 40 0 IEABRO CN(C)c1cc(CN(C)C(=O)CCn2c3ccccc3oc2=O)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000019709881 556871420 /nfs/dbraw/zinc/87/14/20/556871420.db2.gz ZYIBKYIAOYGUGD-KRWDZBQOSA-N 1 0 438.532 2.314 40 0 IEABRO CC[NH+]1CCC(CC(=O)N2CCC[C@@H]2c2nc3c(c(NC)n2)CN(C(C)=O)CC3)CC1 ZINC000019710808 556874417 /nfs/dbraw/zinc/87/44/17/556874417.db2.gz SXMIQYYYDPXOGF-HXUWFJFHSA-N 1 0 428.581 2.208 40 0 IEABRO CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)CC[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000019710896 556874937 /nfs/dbraw/zinc/87/49/37/556874937.db2.gz QSHDKYIYONKPGY-QGZVFWFLSA-N 1 0 442.608 2.251 40 0 IEABRO Cc1nc([C@H]2CCCN2CC(=O)NCC2([NH+](C)C)CCCCC2)nc2c1CCC(=O)N2C ZINC000019741929 556885267 /nfs/dbraw/zinc/88/52/67/556885267.db2.gz NLVYZKYVZHIMMG-LJQANCHMSA-N 1 0 442.608 2.212 40 0 IEABRO COCCn1c(=O)n(C)c(=O)c2ccc(C3CC[NH+](Cc4ccc(F)cc4)CC3)nc21 ZINC000019743583 556888123 /nfs/dbraw/zinc/88/81/23/556888123.db2.gz CIRHKBTWCAQAEX-UHFFFAOYSA-N 1 0 426.492 2.260 40 0 IEABRO O=C(Cn1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)ccc1=O)Nc1nccs1 ZINC000019750939 556894817 /nfs/dbraw/zinc/89/48/17/556894817.db2.gz QMJCXYHXEXWGIL-KRWDZBQOSA-N 1 0 429.546 2.034 40 0 IEABRO COc1cc(C[N@@H+]2C[C@@H](C(=O)NC(C)(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)ccc1O ZINC000072334507 556907269 /nfs/dbraw/zinc/90/72/69/556907269.db2.gz AOFMJALXJHHLMP-UQBPGWFLSA-N 1 0 437.540 2.472 40 0 IEABRO CN(C)c1nc2c(c(N3CCC([NH+]4CCN(C)CC4)CC3)n1)CN(Cc1ccccc1)CC2 ZINC000072347605 556918467 /nfs/dbraw/zinc/91/84/67/556918467.db2.gz QGASLQNPOPGZJV-UHFFFAOYSA-N 1 0 449.647 2.317 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(OC)c(OC)c1 ZINC000019818074 556920743 /nfs/dbraw/zinc/92/07/43/556920743.db2.gz GSEOROMSUQVCRU-SFTDATJTSA-N 1 0 437.496 2.468 40 0 IEABRO COc1cccc(CN2C(=O)Cc3c2nc(C2CCN(C(=O)C[NH+](C)C)CC2)nc3C)c1 ZINC000072371963 556941534 /nfs/dbraw/zinc/94/15/34/556941534.db2.gz UZHQOSDAIKQCFJ-UHFFFAOYSA-N 1 0 437.544 2.151 40 0 IEABRO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(C)c2)nc2c1C[NH2+]CC2 ZINC000072372306 556942243 /nfs/dbraw/zinc/94/22/43/556942243.db2.gz BKPDUPFXVMSNRO-GOSISDBHSA-N 1 0 431.562 2.397 40 0 IEABRO C[C@H](NC(=O)COc1ccccc1F)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000072394922 556966208 /nfs/dbraw/zinc/96/62/08/556966208.db2.gz XVGAMVDAZYBJSP-FUHWJXTLSA-N 1 0 429.492 2.061 40 0 IEABRO CS(=O)(=O)N1CCC[C@H](c2cc(=O)[nH]c(C3CC[NH+](Cc4ccsc4)CC3)n2)C1 ZINC000072399203 556971844 /nfs/dbraw/zinc/97/18/44/556971844.db2.gz NPDYXIIBLQUPKH-KRWDZBQOSA-N 1 0 436.603 2.350 40 0 IEABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103142 557037144 /nfs/dbraw/zinc/03/71/44/557037144.db2.gz DNERTBHOYFIEJY-ZPMCFJSWSA-N 1 0 432.561 2.418 40 0 IEABRO COCCn1cc(C(=O)N2CC[N@H+](CCc3ccccc3)C[C@@H]2C(N)=O)c2ccccc21 ZINC000585168379 557132490 /nfs/dbraw/zinc/13/24/90/557132490.db2.gz KHEHCIKFSXEQIT-HSZRJFAPSA-N 1 0 434.540 2.142 40 0 IEABRO C[NH+](C)CCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000006198525 557150138 /nfs/dbraw/zinc/15/01/38/557150138.db2.gz IROZLULHMBGFRW-KRWDZBQOSA-N 1 0 446.573 2.064 40 0 IEABRO COc1cccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CC[NH+](Cc4cccnc4)CC3)O2)c1 ZINC000096036644 557163798 /nfs/dbraw/zinc/16/37/98/557163798.db2.gz ULGWLYALDQKDHH-QFIPXVFZSA-N 1 0 447.539 2.493 40 0 IEABRO Cc1cc(C(=O)N2CCC[C@]3(C(=O)N(C)C)C[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(C)o1 ZINC000096083067 557168587 /nfs/dbraw/zinc/16/85/87/557168587.db2.gz OMXCRYJLFXGBBY-XXBNENTESA-N 1 0 427.549 2.073 40 0 IEABRO COc1ccc(C(=O)N2CCC3(CC2)[C@@H]2C[N@H+](Cc4cccnc4)C[C@@H]2C(=O)N3C)cc1 ZINC000096143573 557170305 /nfs/dbraw/zinc/17/03/05/557170305.db2.gz PQTPCMKGLVORFK-FCHUYYIVSA-N 1 0 434.540 2.285 40 0 IEABRO CN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)NC2CCCC2)CC3)C1=O ZINC000096144290 557172186 /nfs/dbraw/zinc/17/21/86/557172186.db2.gz OBUWWVRZURIYJF-XMMPIXPASA-N 1 0 425.577 2.480 40 0 IEABRO CCc1cnc(N2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC[NH+](C)C)[C@H]3CC2)nc1 ZINC000096145907 557176086 /nfs/dbraw/zinc/17/60/86/557176086.db2.gz DGYJUJPVEPQYFZ-OALUTQOASA-N 1 0 445.589 2.021 40 0 IEABRO Cc1ccc(N2CCC(O)(C[N@@H+]3CCOC[C@](O)(COc4ccccc4)C3)CC2)cc1 ZINC000585287180 557225970 /nfs/dbraw/zinc/22/59/70/557225970.db2.gz KFXIGUHYOXEZRL-VWLOTQADSA-N 1 0 426.557 2.469 40 0 IEABRO CCOc1cccc(N(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000219145035 557227949 /nfs/dbraw/zinc/22/79/49/557227949.db2.gz SLHGRRWNGTWLDR-UHFFFAOYSA-N 1 0 446.573 2.242 40 0 IEABRO CCCCc1ccc(C[NH2+]C[C@]2(O)CN(S(=O)(=O)c3ccccc3)CC[C@H]2O)cc1 ZINC000585290973 557228316 /nfs/dbraw/zinc/22/83/16/557228316.db2.gz YNKXQJZKHXXNRN-PKTZIBPZSA-N 1 0 432.586 2.305 40 0 IEABRO COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](C4CCC(F)(F)CC4)C3)C2)cc1 ZINC000604381641 557236446 /nfs/dbraw/zinc/23/64/46/557236446.db2.gz IUNXHMVYUVCNRH-LJQANCHMSA-N 1 0 435.515 2.484 40 0 biogenic,in-vitro IEABRO C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000100118939 557241423 /nfs/dbraw/zinc/24/14/23/557241423.db2.gz MECHLOOAVALOHP-ZKGWLNIXSA-N 1 0 440.297 2.390 40 0 IEABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)Cc2ccccc2)c1 ZINC000057313614 557244994 /nfs/dbraw/zinc/24/49/94/557244994.db2.gz WDRXEYKDKGSTJG-UHFFFAOYSA-N 1 0 426.542 2.281 40 0 IEABRO CCN1C(=O)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1cscn1)CC2 ZINC000107180602 557335610 /nfs/dbraw/zinc/33/56/10/557335610.db2.gz GCMOAILOOUJYIS-ZWKOTPCHSA-N 1 0 425.558 2.123 40 0 IEABRO O=C(NCC[NH+]1CCCCC1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000026113416 557440281 /nfs/dbraw/zinc/44/02/81/557440281.db2.gz YRTJKCWLBXIGBZ-QFIPXVFZSA-N 1 0 443.569 2.386 40 0 IEABRO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)C1)N1CC[C@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000019077391 557497475 /nfs/dbraw/zinc/49/74/75/557497475.db2.gz ZXSIHGQTZVOSAY-GGUMNFRJSA-N 1 0 427.545 2.202 40 0 IEABRO CC[NH+]1CCN([C@H](c2nnnn2C2CCCC2)c2cc3cc(OC)ccc3[nH]c2=O)CC1 ZINC000019527939 557501813 /nfs/dbraw/zinc/50/18/13/557501813.db2.gz CEEVVRUGUBHYAM-NRFANRHFSA-N 1 0 437.548 2.365 40 0 IEABRO CN(c1ccc(OCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1)S(C)(=O)=O ZINC000224246584 557580919 /nfs/dbraw/zinc/58/09/19/557580919.db2.gz FYSNIHKKZJZPQG-UHFFFAOYSA-N 1 0 431.558 2.026 40 0 IEABRO Cc1ccc2c(c1)O[C@H](C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CN2S(C)(=O)=O ZINC000224505603 557614028 /nfs/dbraw/zinc/61/40/28/557614028.db2.gz UXHBCUJMDZLFSQ-QFIPXVFZSA-N 1 0 443.569 2.434 40 0 IEABRO O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224659442 557637239 /nfs/dbraw/zinc/63/72/39/557637239.db2.gz GJZKYOWGZWEGTG-UHFFFAOYSA-N 1 0 427.526 2.133 40 0 IEABRO CS(=O)(=O)N(CC(=O)NCCC[N@@H+]1CCc2ccccc2C1)Cc1ccccc1F ZINC000225028033 557679713 /nfs/dbraw/zinc/67/97/13/557679713.db2.gz UYHXSGKNSVKEHD-UHFFFAOYSA-N 1 0 433.549 2.152 40 0 IEABRO COc1ccccc1N(CCCC(=O)NCCC[N@@H+]1CCC[C@@H](C)C1)S(C)(=O)=O ZINC000225196704 557698922 /nfs/dbraw/zinc/69/89/22/557698922.db2.gz LRRUEGOWFSMPLZ-GOSISDBHSA-N 1 0 425.595 2.480 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000225501029 557730993 /nfs/dbraw/zinc/73/09/93/557730993.db2.gz TWVNPMFOZKGEJS-GOSISDBHSA-N 1 0 437.606 2.334 40 0 IEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000260790400 557855946 /nfs/dbraw/zinc/85/59/46/557855946.db2.gz ANEOJVYFOSHCFF-KRWDZBQOSA-N 1 0 441.594 2.095 40 0 IEABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1)NCCN1CCOCC1 ZINC000015673654 560230761 /nfs/dbraw/zinc/23/07/61/560230761.db2.gz CBYSOGZECVBHQN-SFTDATJTSA-N 1 0 432.609 2.404 40 0 biogenic,in-vitro IEABRO Cc1cc(C)n(CCOc2ccc(C[N@@H+](C)C[C@@]3(O)CCN(c4ncccn4)C3)cc2)n1 ZINC000585271114 568617630 /nfs/dbraw/zinc/61/76/30/568617630.db2.gz RELKELUOVSFARC-DEOSSOPVSA-N 1 0 436.560 2.442 40 0 IEABRO Cc1cc(C)n(CCOc2ccc(C[N@@H+](C)C[C@]3(O)CCN(c4ncccn4)C3)cc2)n1 ZINC000585271122 568617840 /nfs/dbraw/zinc/61/78/40/568617840.db2.gz RELKELUOVSFARC-XMMPIXPASA-N 1 0 436.560 2.442 40 0 IEABRO O=C(C[C@]1(COc2ccc(F)cc2)CN(Cc2ccc(O)cc2)CCO1)N1CCOCC1 ZINC000585272930 568617938 /nfs/dbraw/zinc/61/79/38/568617938.db2.gz KVRLGQJIBAVDDL-XMMPIXPASA-N 1 0 444.503 2.430 40 0 IEABRO Cc1ccccc1N1CCC(O)(C[N@@H+]2CCOC[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585288143 568619355 /nfs/dbraw/zinc/61/93/55/568619355.db2.gz XOAKVKHARQIKPM-RUZDIDTESA-N 1 0 426.557 2.469 40 0 IEABRO Cc1cc(N2CCC(O)(CN(C)C(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)CC2)c2cnccc2n1 ZINC000257201100 568665427 /nfs/dbraw/zinc/66/54/27/568665427.db2.gz AGHFLPCKFQJXFB-NRFANRHFSA-N 1 0 449.555 2.004 40 0 IEABRO CC(=O)N[C@]12C[N@@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ncc(C)s1)C2 ZINC000257204562 568667361 /nfs/dbraw/zinc/66/73/61/568667361.db2.gz AVEXHTNBIVZKOQ-UZKOGDIHSA-N 1 0 427.574 2.274 40 0 IEABRO CO[C@@H]1CCC[C@@H]([N@H+](C)Cc2cc(OCc3ccccc3)ccc2OCC(N)=O)[C@H]1O ZINC000257213567 568671450 /nfs/dbraw/zinc/67/14/50/568671450.db2.gz CIDHSWZRMJHTDG-KIFXHHALSA-N 1 0 428.529 2.490 40 0 IEABRO C[N@H+](CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1)C1CCCC1 ZINC000257216216 568672429 /nfs/dbraw/zinc/67/24/29/568672429.db2.gz CTPFCFQOQXHISK-REWPJTCUSA-N 1 0 443.588 2.406 40 0 IEABRO CNc1nc([C@@H]2CCN(C(=O)C3(c4ccccc4F)CCOCC3)C2)nc2c1CC[NH2+]C2 ZINC000257232442 568679884 /nfs/dbraw/zinc/67/98/84/568679884.db2.gz GKVSAMUEUDPRGN-MRXNPFEDSA-N 1 0 439.535 2.367 40 0 IEABRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc2c(c1O)[C@H](O)[C@@]1(O)[C@@H]3C[C@H](C[C@H]1O2)C3(C)C ZINC000257240289 568684042 /nfs/dbraw/zinc/68/40/42/568684042.db2.gz HSWQNUQSLFTZKC-UQJUYAFZSA-N 1 0 444.572 2.398 40 0 IEABRO Cc1cc(NC(=O)CN2CC[N@H+](Cc3ccccc3)C[C@H](Cc3cnccn3)C2)nn1C ZINC000257246682 568687041 /nfs/dbraw/zinc/68/70/41/568687041.db2.gz IVHBENFIFWGILG-NRFANRHFSA-N 1 0 433.560 2.134 40 0 IEABRO Cc1cc(NC(=O)CN2CC[N@H+](Cc3ccccc3)C[C@@H](Cc3cnccn3)C2)nn1C ZINC000257246683 568687055 /nfs/dbraw/zinc/68/70/55/568687055.db2.gz IVHBENFIFWGILG-OAQYLSRUSA-N 1 0 433.560 2.134 40 0 IEABRO CC(=O)N[C@]12C[N@@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1ccnn1C(C)C)C2 ZINC000257252594 568689687 /nfs/dbraw/zinc/68/96/87/568689687.db2.gz JVIDYDVHROYIOS-HUVFLSCGSA-N 1 0 438.576 2.286 40 0 IEABRO CN(C[C@]1(O)CCN(c2ccnc3cccnc32)C1)C(=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000257256578 568691411 /nfs/dbraw/zinc/69/14/11/568691411.db2.gz KMBHBHFUSGDMON-RUZDIDTESA-N 1 0 449.555 2.284 40 0 IEABRO CNC(=O)c1ccc(-c2cccc([C@H]3CN(C(=O)C[NH+]4CCC(C)CC4)CCO3)n2)cn1 ZINC000257278730 568701720 /nfs/dbraw/zinc/70/17/20/568701720.db2.gz ODKQZMVOIYGURR-JOCHJYFZSA-N 1 0 437.544 2.135 40 0 IEABRO CC(=O)N[C@]12CN(CC(=O)Nc3ccnn3C(C)C)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2 ZINC000257286129 568704771 /nfs/dbraw/zinc/70/47/71/568704771.db2.gz PKKUCPUQAAZGOM-AGILITTLSA-N 1 0 438.576 2.286 40 0 IEABRO O=C(CCN1CCOCC1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257288187 568705990 /nfs/dbraw/zinc/70/59/90/568705990.db2.gz PTGLAOUOJVLTEU-LSQMVHIFSA-N 1 0 429.605 2.162 40 0 IEABRO Cc1nn2c(nccc2[C@H]2CN(C(=O)CC3CCCC3)CCO2)c1C[NH+]1CCC(O)CC1 ZINC000257291526 568707213 /nfs/dbraw/zinc/70/72/13/568707213.db2.gz QHJGGPUITBERBQ-JOCHJYFZSA-N 1 0 441.576 2.475 40 0 IEABRO O=C(CCCn1ccnc1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257300572 568711669 /nfs/dbraw/zinc/71/16/69/568711669.db2.gz RUVXIIQGHBHXJE-VDKIKQQVSA-N 1 0 440.588 2.353 40 0 IEABRO NC(=O)CCn1cc(C[N@@H+]2CCC[C@@]3(Cc4c([nH]c(=O)[nH]c4=O)O3)CC2)c2ccccc21 ZINC000257318564 568719430 /nfs/dbraw/zinc/71/94/30/568719430.db2.gz VOMKETXMVPYDRW-QHCPKHFHSA-N 1 0 437.500 2.078 40 0 IEABRO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCC[NH3+])cc3)C2)c2cnccc2n1 ZINC000257331069 568724932 /nfs/dbraw/zinc/72/49/32/568724932.db2.gz XRGLWNQLNQEZJF-VWLOTQADSA-N 1 0 449.555 2.379 40 0 IEABRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3nc4c(c(NC)n3)CCN(C(C)=O)C4)C2)cc1CO ZINC000257344980 568730829 /nfs/dbraw/zinc/73/08/29/568730829.db2.gz ZZLFUAIFISVXJW-GOSISDBHSA-N 1 0 439.560 2.303 40 0 IEABRO CC(=O)Nc1ccc(N2C(=O)C[C@@H](N(C(=O)CSC(N)=[NH2+])C3CCCCC3)C2=O)cc1 ZINC000261526580 568734986 /nfs/dbraw/zinc/73/49/86/568734986.db2.gz BLOLLFTXCCPXSB-QGZVFWFLSA-N 1 0 445.545 2.065 40 0 IEABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)cc1 ZINC000306128596 568765136 /nfs/dbraw/zinc/76/51/36/568765136.db2.gz HFTALTYKJCZQKB-DEOSSOPVSA-N 1 0 440.544 2.169 40 0 IEABRO Cc1ccsc1C[N@H+]1CC[C@]2(CCn3c2nn(Cc2csc(C)n2)c(=O)c3=O)C1 ZINC000306139251 568771048 /nfs/dbraw/zinc/77/10/48/568771048.db2.gz STGPUOGETGMEJI-FQEVSTJZSA-N 1 0 429.571 2.136 40 0 IEABRO COC(=O)c1ccc(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)cc1OC ZINC000329039646 568810151 /nfs/dbraw/zinc/81/01/51/568810151.db2.gz RYEFUPLALGPMQE-UHFFFAOYSA-N 1 0 427.427 2.242 40 0 IEABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000101509271 568844832 /nfs/dbraw/zinc/84/48/32/568844832.db2.gz NSJGEXWTVXFQHP-CEXWTWQISA-N 1 0 437.606 2.380 40 0 IEABRO COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1 ZINC000072190141 569181437 /nfs/dbraw/zinc/18/14/37/569181437.db2.gz PFGVNLZDWRZPJW-ZHRRBRCNSA-N 1 0 446.507 2.421 40 0 investigational IEABRO C[C@H]1Cc2cc([C@@H](O)C[NH+]3CCC(NC(=O)C4CCCC4)CC3)ccc2N1S(C)(=O)=O ZINC000019497860 569226794 /nfs/dbraw/zinc/22/67/94/569226794.db2.gz HLSNKMNTXWKVML-AOMKIAJQSA-N 1 0 449.617 2.201 40 0 IEABRO CC[NH+](CC)CC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(OC)c2)C1 ZINC000019692638 569228012 /nfs/dbraw/zinc/22/80/12/569228012.db2.gz CFBUKYSNKQYYBX-HXUWFJFHSA-N 1 0 427.549 2.460 40 0 IEABRO CC[NH+](CC)CC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(OC)c2)C1 ZINC000019692639 569228053 /nfs/dbraw/zinc/22/80/53/569228053.db2.gz CFBUKYSNKQYYBX-FQEVSTJZSA-N 1 0 427.549 2.460 40 0 IEABRO O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ncc[nH]2)CC1 ZINC000019699366 569230497 /nfs/dbraw/zinc/23/04/97/569230497.db2.gz ADQJWKZXJKSVFQ-UHFFFAOYSA-N 1 0 436.560 2.003 40 0 IEABRO COc1ccc(C(=O)N2CCC(N3C(=O)NC4(CC[NH+](C(C)C)CC4)C3=O)CC2)cc1 ZINC000019699501 569230595 /nfs/dbraw/zinc/23/05/95/569230595.db2.gz LMBMYVYSMPRJCN-UHFFFAOYSA-N 1 0 428.533 2.095 40 0 IEABRO COc1cccc(C(=O)N2CCC[C@H](N3C(=O)NC4(CC[NH+](CC(C)C)CC4)C3=O)C2)c1 ZINC000019699767 569230728 /nfs/dbraw/zinc/23/07/28/569230728.db2.gz MKRHQJMWBCGRCT-IBGZPJMESA-N 1 0 442.560 2.342 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3F)C1)C2=O ZINC000019699924 569230864 /nfs/dbraw/zinc/23/08/64/569230864.db2.gz VAOUPWMBNGVVAU-GOSISDBHSA-N 1 0 430.524 2.156 40 0 IEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3cccc(F)c3)CC1)C2=O ZINC000019701362 569231323 /nfs/dbraw/zinc/23/13/23/569231323.db2.gz JZGNFMUTHQJLBL-UHFFFAOYSA-N 1 0 444.551 2.402 40 0 IEABRO Cc1nn2c(nccc2[C@H]2CCN(C(=O)c3ccccc3)C2)c1C[NH+]1CCC(C(N)=O)CC1 ZINC000019707952 569234567 /nfs/dbraw/zinc/23/45/67/569234567.db2.gz XSFBHICRZCECRO-FQEVSTJZSA-N 1 0 446.555 2.365 40 0 IEABRO CC(C)(C)c1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 ZINC000008298828 291330953 /nfs/dbraw/zinc/33/09/53/291330953.db2.gz MIXPHDZKQNEHJJ-KSZLIROESA-N 1 0 425.533 2.331 40 0 biogenic,in-vitro IEABRO COC[C@H]1CCCN1Cc1nc(C2(O)CC[NH+](C3CCN(C(C)=O)CC3)CC2)cs1 ZINC000225422728 291334212 /nfs/dbraw/zinc/33/42/12/291334212.db2.gz BBNDIEXUPLQQNQ-LJQANCHMSA-N 1 0 436.622 2.048 40 0 biogenic,in-vitro IEABRO COc1ccc(-c2cn(C[C@H]3C[C@@H]4CC[N@@H+]3C[C@@H]4C(=O)NCc3cccnc3)nn2)cc1 ZINC000008254189 291335231 /nfs/dbraw/zinc/33/52/31/291335231.db2.gz QCCOIFVXUGDRON-VWPQPMDRSA-N 1 0 432.528 2.376 40 0 biogenic,in-vitro IEABRO OC1(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC[NH+](C2CCOCC2)CC1 ZINC000225427286 291339406 /nfs/dbraw/zinc/33/94/06/291339406.db2.gz DOVKRQDFVJAKIF-UHFFFAOYSA-N 1 0 443.617 2.323 40 0 biogenic,in-vitro IEABRO O=C(C1CC[NH2+]CC1)N1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]2C1 ZINC000004235970 291338893 /nfs/dbraw/zinc/33/88/93/291338893.db2.gz FXJNXSJFMOBCGJ-OAQYLSRUSA-N 1 0 436.487 2.097 40 0 biogenic,in-vitro IEABRO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](CC3CCCCC3)C2)C(=O)N1Cc1cccc(Cl)c1 ZINC000225440289 291338897 /nfs/dbraw/zinc/33/88/97/291338897.db2.gz QLYQAJBMLQGDRW-UXHICEINSA-N 1 0 431.964 2.279 40 0 biogenic,in-vitro IEABRO CC(=O)N1CCC[C@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000012162921 519559211 /nfs/dbraw/zinc/55/92/11/519559211.db2.gz RKGBEDJZRZNOIE-ITSWEJNFSA-N 1 0 432.540 2.404 40 0 IEABRO CC(=O)N1CCC[C@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000012162931 519560135 /nfs/dbraw/zinc/56/01/35/519560135.db2.gz RKGBEDJZRZNOIE-NIJIEXERSA-N 1 0 432.540 2.404 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(F)cc3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020674749 521279521 /nfs/dbraw/zinc/27/95/21/521279521.db2.gz YLXNIKMINVGLMS-UXHICEINSA-N 1 0 442.466 2.493 40 0 IEABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(S(=O)(=O)CCOc1ccccc1)CC2 ZINC000072345732 522688686 /nfs/dbraw/zinc/68/86/86/522688686.db2.gz DTOJFWZUWMIOLL-QGZVFWFLSA-N 1 0 445.589 2.094 40 0 IEABRO CN(C)C(=O)[C@H]1C[N@H+](CCCOc2ccccc2F)C[C@@]12COc1ccccc1C(=O)N2 ZINC000012124406 524017567 /nfs/dbraw/zinc/01/75/67/524017567.db2.gz ZZKNDBZQIFESCF-HOYKHHGWSA-N 1 0 441.503 2.176 40 0 IEABRO Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(c3cc(C)[nH+]c(N)n3)CC2)on1 ZINC000012232668 526046082 /nfs/dbraw/zinc/04/60/82/526046082.db2.gz ALHOBWLGJHHUIU-UHFFFAOYSA-N 1 0 436.520 2.341 40 0 IEABRO Cc1nc(C2CCN(C(=O)C[NH+]3CCC(C(N)=O)CC3)CC2)sc1-c1ccnc(C)n1 ZINC000012668094 526776123 /nfs/dbraw/zinc/77/61/23/526776123.db2.gz BGEYUNKBZHTLPX-UHFFFAOYSA-N 1 0 442.589 2.120 40 0 IEABRO NC(=O)C1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(COc3ccccc3)on2)CC1 ZINC000015673621 526855425 /nfs/dbraw/zinc/85/54/25/526855425.db2.gz JVPMGDPORHTVAM-OALUTQOASA-N 1 0 440.544 2.136 40 0 biogenic,in-vitro IEABRO O=C(NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000020488401 527661316 /nfs/dbraw/zinc/66/13/16/527661316.db2.gz AXRDKIWLJVTYKF-UHFFFAOYSA-N 1 0 427.998 2.484 40 0 IEABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(OC)cc1 ZINC000408710175 556116900 /nfs/dbraw/zinc/11/69/00/556116900.db2.gz RETMVCWBACIVRM-GOSISDBHSA-N 1 0 438.528 2.164 40 0 IEABRO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000028069191 556443160 /nfs/dbraw/zinc/44/31/60/556443160.db2.gz DJCZBMWOVYOFND-GOSISDBHSA-N 1 0 425.570 2.465 40 0 IEABRO O=C1N[C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[C@@H](CCOc4ccccc41)O3)[N@@H+](C1CCC1)C2 ZINC000514287675 556624357 /nfs/dbraw/zinc/62/43/57/556624357.db2.gz XRYUXRVOXJZIDG-WBKMXMRLSA-N 1 0 427.545 2.248 40 0 IEABRO COc1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000044857351 556673166 /nfs/dbraw/zinc/67/31/66/556673166.db2.gz YOOUBHQYDUDWCQ-UHFFFAOYSA-N 1 0 431.558 2.373 40 0 IEABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 ZINC000044907741 556680059 /nfs/dbraw/zinc/68/00/59/556680059.db2.gz IGGJIKNLGHVDFF-DOXZYTNZSA-N 1 0 443.997 2.351 40 0 IEABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC1)N2 ZINC000019128342 556703773 /nfs/dbraw/zinc/70/37/73/556703773.db2.gz JJWQLALXDWHPND-JCGIZDLHSA-N 1 0 425.524 2.389 40 0 IEABRO Cc1nccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)n1 ZINC000257328754 556705651 /nfs/dbraw/zinc/70/56/51/556705651.db2.gz XGZBRWJOFDNOIL-LSQMVHIFSA-N 1 0 437.588 2.004 40 0 IEABRO Cc1nc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCC(O)CC3)CC2)co1 ZINC000257222125 556707749 /nfs/dbraw/zinc/70/77/49/556707749.db2.gz DSALBHFUVUBYRG-FIXSFTCYSA-N 1 0 427.545 2.411 40 0 IEABRO C[NH+]1CCC(Cc2ccccc2F)(C(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)CC1 ZINC000257260278 556712342 /nfs/dbraw/zinc/71/23/42/556712342.db2.gz LCDBAHIJHLDRRA-DEOSSOPVSA-N 1 0 441.551 2.018 40 0 IEABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1cnn2cccnc12 ZINC000257268452 556713496 /nfs/dbraw/zinc/71/34/96/556713496.db2.gz MLSPITIMSBIKIA-TZBSWOFLSA-N 1 0 449.555 2.033 40 0 IEABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCOC3)[nH]c(=O)c2C1 ZINC000019238674 556723662 /nfs/dbraw/zinc/72/36/62/556723662.db2.gz LLHPURFMCDPYMB-CRAIPNDOSA-N 1 0 428.558 2.398 40 0 IEABRO O=C(NCc1ncc[nH]1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372473 556749140 /nfs/dbraw/zinc/74/91/40/556749140.db2.gz MPPXFBKTOBXWFV-PMACEKPBSA-N 1 0 431.544 2.332 40 0 IEABRO O=C(N[C@H]1CSC[C@@H]1O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372534 556749163 /nfs/dbraw/zinc/74/91/63/556749163.db2.gz QNFKTFHWBYMCQV-CGXNFDGLSA-N 1 0 428.529 2.349 40 0 IEABRO O=C(CN1CC2(CCC([NH+]3CCOCC3)CC2)Oc2ccccc2C1=O)N1CC=CCC1 ZINC000019374593 556751122 /nfs/dbraw/zinc/75/11/22/556751122.db2.gz CRAZNXXQEAWDPM-UHFFFAOYSA-N 1 0 439.556 2.323 40 0 IEABRO COc1ccc(OC)c(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)c1 ZINC000019448251 556757565 /nfs/dbraw/zinc/75/75/65/556757565.db2.gz CMKHEURBZDDBGR-FQEVSTJZSA-N 1 0 440.544 2.460 40 0 IEABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450164 556760951 /nfs/dbraw/zinc/76/09/51/556760951.db2.gz CXPSCTSPCAKPKB-OALUTQOASA-N 1 0 445.514 2.332 40 0 IEABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN(S(=O)(=O)N(C)C)C4)[nH]c(=O)c3C2)CC1 ZINC000019495970 556768728 /nfs/dbraw/zinc/76/87/28/556768728.db2.gz HJKOHZLEYWHRHS-CGZBRXJRSA-N 1 0 437.610 2.105 40 0 IEABRO COc1ccccc1N1CC[NH+](C[C@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 ZINC000019571196 556811273 /nfs/dbraw/zinc/81/12/73/556811273.db2.gz LPXUCWHQUGHNFX-QFIPXVFZSA-N 1 0 445.585 2.263 40 0 IEABRO CS(=O)(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(NC(=O)C4CCCC4)CC3)ccc21 ZINC000019572465 556812737 /nfs/dbraw/zinc/81/27/37/556812737.db2.gz XWHVIFMWTISNDS-JOCHJYFZSA-N 1 0 449.617 2.203 40 0 IEABRO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019591945 556827982 /nfs/dbraw/zinc/82/79/82/556827982.db2.gz SEQQHNPOKPRHME-QZTJIDSGSA-N 1 0 425.533 2.056 40 0 IEABRO CCN(CC)C(=O)C[NH+]1CCC(c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)CC1 ZINC000019694159 556849519 /nfs/dbraw/zinc/84/95/19/556849519.db2.gz XNFDARMIEFJJKH-UHFFFAOYSA-N 1 0 438.576 2.356 40 0 IEABRO COCCN1C[C@@H](c2cc(N(C)C)nc(C3CC[NH+](Cc4cccnc4)CC3)n2)CC1=O ZINC000019696481 556853366 /nfs/dbraw/zinc/85/33/66/556853366.db2.gz HOZKWXRBTXFXIB-FQEVSTJZSA-N 1 0 438.576 2.280 40 0 IEABRO CC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(C[N@H+](C)Cc3cccnc3N(C)C)cc2)C1 ZINC000019698768 556857695 /nfs/dbraw/zinc/85/76/95/556857695.db2.gz GYWCMYXHUNCAGE-PKTZIBPZSA-N 1 0 437.588 2.430 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cc(C(C)C)n[nH]3)CC1)C2=O ZINC000019700679 556860099 /nfs/dbraw/zinc/86/00/99/556860099.db2.gz KYCCCDNCCUGVBJ-UHFFFAOYSA-N 1 0 444.580 2.182 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cnn(C(C)C)c3)CC1)C2=O ZINC000019700678 556860113 /nfs/dbraw/zinc/86/01/13/556860113.db2.gz KDMMBPDEZRCLNL-UHFFFAOYSA-N 1 0 444.580 2.113 40 0 IEABRO O=C1NC2(CC[NH+](Cc3ccccc3)CC2)C(=O)N1CC1CCN(c2ncccn2)CC1 ZINC000019700711 556860194 /nfs/dbraw/zinc/86/01/94/556860194.db2.gz POFAZDOLOCIWNQ-UHFFFAOYSA-N 1 0 434.544 2.280 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)c3cc4c(cccc4C)[nH]3)C1)C2=O ZINC000019700788 556860361 /nfs/dbraw/zinc/86/03/61/556860361.db2.gz PIJYSJDXJMQSRD-QGZVFWFLSA-N 1 0 437.544 2.487 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)c3cc4c(cccc4C)[nH]3)C1)C2=O ZINC000019700789 556860395 /nfs/dbraw/zinc/86/03/95/556860395.db2.gz PIJYSJDXJMQSRD-KRWDZBQOSA-N 1 0 437.544 2.487 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(C[NH+](C)C)cc(N(C)C)n3)C2)cc1 ZINC000019709634 556870905 /nfs/dbraw/zinc/87/09/05/556870905.db2.gz RLTMKXBTOKOJNI-INIZCTEOSA-N 1 0 433.578 2.181 40 0 IEABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(C(=O)CN(C)Cc1ccc(OC)cc1)C2 ZINC000019710916 556874990 /nfs/dbraw/zinc/87/49/90/556874990.db2.gz OORLTPICOVYOIL-UHFFFAOYSA-N 1 0 438.576 2.011 40 0 IEABRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 ZINC000019745093 556891637 /nfs/dbraw/zinc/89/16/37/556891637.db2.gz GNORTELEMCHWNH-LBPRGKRZSA-N 1 0 440.470 2.233 40 0 IEABRO O=C(Cn1cccc(C(=O)N2CCC[C@H](C[NH+]3CCCC3)C2)c1=O)NCc1ccccc1 ZINC000019749951 556894072 /nfs/dbraw/zinc/89/40/72/556894072.db2.gz DYSSDNGOOXRGRT-OAQYLSRUSA-N 1 0 436.556 2.113 40 0 IEABRO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CC[N@H+](CC(C)(C)CN2CCOCC2)C4)no1 ZINC000072339440 556911657 /nfs/dbraw/zinc/91/16/57/556911657.db2.gz XWSQGKGKIQFBHO-UHFFFAOYSA-N 1 0 426.521 2.115 40 0 IEABRO COC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000019818042 556920596 /nfs/dbraw/zinc/92/05/96/556920596.db2.gz LNZNCYCIMHBZSR-MOPGFXCFSA-N 1 0 426.904 2.478 40 0 IEABRO CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000072372421 556942855 /nfs/dbraw/zinc/94/28/55/556942855.db2.gz LJXULDCESJQIQN-JOCHJYFZSA-N 1 0 437.588 2.456 40 0 IEABRO CCCC(=O)N1CCc2nc(C3CC[NH+](Cc4cnn(CCC)c4)CC3)[nH]c(=O)c2C1 ZINC000072398998 556971053 /nfs/dbraw/zinc/97/10/53/556971053.db2.gz FLSSYNLLYIFESN-UHFFFAOYSA-N 1 0 426.565 2.441 40 0 IEABRO COCCC(=O)N1CCC(c2nc([C@@H]3CCC[N@H+](CC4=CCCOC4)C3)cc(=O)[nH]2)CC1 ZINC000072399216 556971786 /nfs/dbraw/zinc/97/17/86/556971786.db2.gz ZXVBNRBIQZERKL-HXUWFJFHSA-N 1 0 444.576 2.039 40 0 IEABRO Cc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1NS(=O)(=O)c1ccccc1 ZINC000022934883 557052156 /nfs/dbraw/zinc/05/21/56/557052156.db2.gz DWEXGMSKGDBMGF-UHFFFAOYSA-N 1 0 430.574 2.163 40 0 IEABRO O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189975 557140104 /nfs/dbraw/zinc/14/01/04/557140104.db2.gz HHBBRWSACVJKJD-UHFFFAOYSA-N 1 0 427.526 2.133 40 0 IEABRO COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CC[NH+](Cc4ccncc4)CC3)O2)cc1 ZINC000096036701 557163829 /nfs/dbraw/zinc/16/38/29/557163829.db2.gz VZDZKIJZFUHZLB-QFIPXVFZSA-N 1 0 447.539 2.493 40 0 IEABRO COc1cccc(C(=O)N2CCC3(CC2)[C@@H]2C[N@H+](Cc4cccnc4)C[C@@H]2C(=O)N3C)c1 ZINC000096143572 557170477 /nfs/dbraw/zinc/17/04/77/557170477.db2.gz HUMBUCWOEFMUCN-FCHUYYIVSA-N 1 0 434.540 2.285 40 0 IEABRO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Cl)c1OCc1cccs1 ZINC000022107542 557177601 /nfs/dbraw/zinc/17/76/01/557177601.db2.gz FAXCDTLZDQMUMX-UHFFFAOYSA-N 1 0 437.909 2.474 40 0 IEABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)O[C@H](C(=O)NCc1cccnc1)Cn1ccnc12 ZINC000096243826 557187822 /nfs/dbraw/zinc/18/78/22/557187822.db2.gz SORYDVWYIIUWAC-FQEVSTJZSA-N 1 0 436.516 2.089 40 0 IEABRO CN(C)C(=O)[C@@]12C[N@H+](Cc3cnn(C)c3)C[C@@H]1CN(C(=O)c1ccc(F)cc1)CCC2 ZINC000096251294 557188235 /nfs/dbraw/zinc/18/82/35/557188235.db2.gz IANZYWHTSXKXDD-XXBNENTESA-N 1 0 427.524 2.002 40 0 IEABRO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2ccc(OC)cc2)CC3)C1=O ZINC000096262803 557190417 /nfs/dbraw/zinc/19/04/17/557190417.db2.gz NZLMBFSPXZTDEW-XMMPIXPASA-N 1 0 429.561 2.118 40 0 IEABRO C[N@@H+]1CCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)C[C@@](O)(Cn2cccn2)C1 ZINC000585261890 557197653 /nfs/dbraw/zinc/19/76/53/557197653.db2.gz LLXDZLMLGWINRA-XMMPIXPASA-N 1 0 438.503 2.420 40 0 IEABRO C[NH+](C)CCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000010111523 557204080 /nfs/dbraw/zinc/20/40/80/557204080.db2.gz BXYIUVWCUARSJN-UHFFFAOYSA-N 1 0 440.363 2.322 40 0 IEABRO COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000010279266 557212918 /nfs/dbraw/zinc/21/29/18/557212918.db2.gz JWXSIJAWHUBWFW-OAHLLOKOSA-N 1 0 431.986 2.495 40 0 IEABRO COc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccccc2F)cc1 ZINC000219141823 557227983 /nfs/dbraw/zinc/22/79/83/557227983.db2.gz BLGDGKNZUXTTLK-UHFFFAOYSA-N 1 0 435.521 2.240 40 0 IEABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]Cc3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382206 557237049 /nfs/dbraw/zinc/23/70/49/557237049.db2.gz KTOQDAWLCGBOMS-UAFMIMERSA-N 1 0 439.478 2.375 40 0 biogenic,in-vitro IEABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]Cc3ccccc3C(F)(F)F)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382669 557237100 /nfs/dbraw/zinc/23/71/00/557237100.db2.gz YIKMLBDCYOJWSY-HNBVOPMISA-N 1 0 439.478 2.375 40 0 biogenic,in-vitro IEABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 ZINC000057313613 557244946 /nfs/dbraw/zinc/24/49/46/557244946.db2.gz JRULEVMCZDYXOV-UHFFFAOYSA-N 1 0 430.505 2.491 40 0 IEABRO C[NH+]1CCN(c2ccc(NC(=O)CCCN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1 ZINC000219449581 557249549 /nfs/dbraw/zinc/24/95/49/557249549.db2.gz UMRGVSDFIJPNSQ-UHFFFAOYSA-N 1 0 442.541 2.002 40 0 IEABRO COc1cccc(N([C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000220187315 557284268 /nfs/dbraw/zinc/28/42/68/557284268.db2.gz KZSKYDPAXJYMSK-QGZVFWFLSA-N 1 0 446.573 2.240 40 0 IEABRO Cc1ccc(N2C(=O)[C@@H]3C[NH2+][C@@]4(C(=O)Nc5ccc(Br)cc54)[C@H]3C2=O)cc1 ZINC000102910406 557309753 /nfs/dbraw/zinc/30/97/53/557309753.db2.gz ZWGQGNLBFCJSOG-OWDMVUQNSA-N 1 0 426.270 2.314 40 0 IEABRO C[C@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)OC5C[C@H]6CC[C@@H](C5)[N@H+]6C)nc4c23)C1 ZINC000013566313 557344250 /nfs/dbraw/zinc/34/42/50/557344250.db2.gz ACHHTMXMBVPGDS-RDGKXADDSA-N 1 0 441.557 2.399 40 0 IEABRO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)cc1OC ZINC000113936439 557379435 /nfs/dbraw/zinc/37/94/35/557379435.db2.gz IQDSZDGMVYRSAU-UHFFFAOYSA-N 1 0 447.557 2.353 40 0 IEABRO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@@H](C)O)[NH2+][C@@]23C(=O)Nc2c3cccc2C)c1 ZINC000016026854 557469063 /nfs/dbraw/zinc/46/90/63/557469063.db2.gz NRVIXZWDGPUGHO-OFWYVSERSA-N 1 0 425.485 2.157 40 0 IEABRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000223708721 557504589 /nfs/dbraw/zinc/50/45/89/557504589.db2.gz OCSAOKVLOCTCRF-UHFFFAOYSA-N 1 0 438.571 2.042 40 0 IEABRO C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000223826049 557517596 /nfs/dbraw/zinc/51/75/96/557517596.db2.gz SMZFBBKIZYHZMT-GOSISDBHSA-N 1 0 445.585 2.414 40 0 IEABRO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000224771852 557649917 /nfs/dbraw/zinc/64/99/17/557649917.db2.gz QIOGSCJJFSFCNU-UHFFFAOYSA-N 1 0 445.541 2.094 40 0 IEABRO COc1ccccc1N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)S(C)(=O)=O ZINC000224769976 557649999 /nfs/dbraw/zinc/64/99/99/557649999.db2.gz GBOKNQHEPDGAQG-UHFFFAOYSA-N 1 0 431.558 2.373 40 0 IEABRO CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000224780128 557650810 /nfs/dbraw/zinc/65/08/10/557650810.db2.gz HKFBHAFRJWFLAL-UHFFFAOYSA-N 1 0 448.564 2.351 40 0 IEABRO Cc1ccc2c(c1)O[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)CN2S(C)(=O)=O ZINC000224788855 557651413 /nfs/dbraw/zinc/65/14/13/557651413.db2.gz ZUZPXSDWQNOYMB-QFIPXVFZSA-N 1 0 443.569 2.434 40 0 IEABRO COCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(Cc3ccccc3)CC2)no1 ZINC000015673402 560230624 /nfs/dbraw/zinc/23/06/24/560230624.db2.gz YKUSZIZIZDSLJD-SFTDATJTSA-N 1 0 426.561 2.324 40 0 biogenic,in-vitro IEABRO C[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000260895435 568628273 /nfs/dbraw/zinc/62/82/73/568628273.db2.gz IJYFLDPQZGPZKM-ROUUACIJSA-N 1 0 425.570 2.465 40 0 IEABRO Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)c4ccc(OCCC[NH3+])cc4)C3)c2n1 ZINC000257207855 568668641 /nfs/dbraw/zinc/66/86/41/568668641.db2.gz BJPQBAOBMBYCPS-RUZDIDTESA-N 1 0 449.555 2.379 40 0 IEABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)CN1CCCCS1(=O)=O)[C@@H]2Cc1ccccc1 ZINC000257219537 568674011 /nfs/dbraw/zinc/67/40/11/568674011.db2.gz DHDDSEBIRJKUDL-WGNYYXNJSA-N 1 0 445.629 2.497 40 0 IEABRO CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)ncn1 ZINC000257231912 568679742 /nfs/dbraw/zinc/67/97/42/568679742.db2.gz GIRBXPLNCZYGIN-XMMPIXPASA-N 1 0 438.576 2.218 40 0 IEABRO CNc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)ncn1 ZINC000257282553 568703276 /nfs/dbraw/zinc/70/32/76/568703276.db2.gz OUFLYLBALJIUPJ-DEOSSOPVSA-N 1 0 438.576 2.266 40 0 IEABRO CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cc[nH]n3)CC[C@@H]2Oc2ccc(Cl)cc2)CC1 ZINC000257287696 568705577 /nfs/dbraw/zinc/70/55/77/568705577.db2.gz PRCYSFVXWJTRKI-JXFKEZNVSA-N 1 0 445.951 2.137 40 0 IEABRO CN(CC1(O)CCN(c2nccn3cccc23)CC1)C(=O)c1cccc(OCCC[NH3+])c1 ZINC000257290023 568706760 /nfs/dbraw/zinc/70/67/60/568706760.db2.gz QBELEUDRDHNVQP-UHFFFAOYSA-N 1 0 437.544 2.165 40 0 IEABRO COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)NC4CC4)CC[C@H]3[N@@H+]2CC2CC2)cc1 ZINC000306129000 568765408 /nfs/dbraw/zinc/76/54/08/568765408.db2.gz HQWJXWTVGAQMKF-QIJUGHKUSA-N 1 0 426.561 2.358 40 0 IEABRO COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)NC4CC4)CC[C@@H]3[N@@H+]2CC2CC2)cc1 ZINC000306128999 568765492 /nfs/dbraw/zinc/76/54/92/568765492.db2.gz HQWJXWTVGAQMKF-NYVOZVTQSA-N 1 0 426.561 2.358 40 0 IEABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@H+](Cc3ccccc3Cl)C2)cs1 ZINC000306129677 568765949 /nfs/dbraw/zinc/76/59/49/568765949.db2.gz IJHDCWPQRLDMRN-NRFANRHFSA-N 1 0 443.960 2.419 40 0 IEABRO Cc1ccc(C[N@@H+]2CC[C@@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)s1 ZINC000306130510 568766070 /nfs/dbraw/zinc/76/60/70/568766070.db2.gz JIRNUIOUBWMRII-JOCHJYFZSA-N 1 0 426.517 2.411 40 0 IEABRO Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@H+](Cc4cc(C)cc(C)c4)C2)C3)cs1 ZINC000306132588 568767425 /nfs/dbraw/zinc/76/74/25/568767425.db2.gz LMZYMXAYPAPSCO-HSZRJFAPSA-N 1 0 437.569 2.283 40 0 IEABRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)c1 ZINC000306143614 568773428 /nfs/dbraw/zinc/77/34/28/568773428.db2.gz YGVSCSRHFOSJLV-XMMPIXPASA-N 1 0 440.544 2.169 40 0 IEABRO CC[NH+](CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc21 ZINC000575426097 568865477 /nfs/dbraw/zinc/86/54/77/568865477.db2.gz MMPUDUGMLMZRFZ-SFHVURJKSA-N 1 0 439.603 2.145 40 0 IEABRO CCOCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000057773671 568909186 /nfs/dbraw/zinc/90/91/86/568909186.db2.gz CXNPNFWYIHIFCA-YADHBBJMSA-N 1 0 439.556 2.102 40 0 IEABRO CCOCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000057773674 568909224 /nfs/dbraw/zinc/90/92/24/568909224.db2.gz CXNPNFWYIHIFCA-FGZHOGPDSA-N 1 0 439.556 2.102 40 0 IEABRO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)[C@H]4CCCO4)C3)[nH]c(=O)c2C1 ZINC000248123612 569207092 /nfs/dbraw/zinc/20/70/92/569207092.db2.gz GMGIAKDPRJDNNO-DYESRHJHSA-N 1 0 438.528 2.244 40 0 IEABRO CN1CCN(c2nccc(C[N@@H+]3C[C@@H]4CCC[C@@](O)(c5ccc(F)cc5)[C@H]4C3)n2)CC1 ZINC000248150806 569207282 /nfs/dbraw/zinc/20/72/82/569207282.db2.gz UCOUXTFXVNJXJE-JKFKMHIGSA-N 1 0 425.552 2.487 40 0 IEABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCN(C(=O)CC[NH+]3CCCC3)C2)n1 ZINC000019694760 569229240 /nfs/dbraw/zinc/22/92/40/569229240.db2.gz ZSRSJFQPGAOIQK-LJQANCHMSA-N 1 0 436.560 2.110 40 0 IEABRO C[C@H]1C[C@H]1C(=O)N1CCC(N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699331 569230365 /nfs/dbraw/zinc/23/03/65/569230365.db2.gz ZTPILHZUZBFEJL-GHTZIAJQSA-N 1 0 438.572 2.263 40 0 IEABRO C[C@@H]1C[C@@H]1C(=O)N1CCC(N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699328 569230386 /nfs/dbraw/zinc/23/03/86/569230386.db2.gz ZTPILHZUZBFEJL-NQIIRXRSSA-N 1 0 438.572 2.263 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)c3ccccc3OCC)CC1)C2=O ZINC000019699349 569230422 /nfs/dbraw/zinc/23/04/22/569230422.db2.gz PZFYULYUWJAZFB-UHFFFAOYSA-N 1 0 442.560 2.486 40 0 IEABRO O=C(c1ccccn1)N1CCC[C@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699865 569230871 /nfs/dbraw/zinc/23/08/71/569230871.db2.gz ZAKGKPXHOFICGX-FQEVSTJZSA-N 1 0 447.539 2.273 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3cccc(F)c3)C1)C2=O ZINC000019699935 569230906 /nfs/dbraw/zinc/23/09/06/569230906.db2.gz LAODDKUULTXRKI-IBGZPJMESA-N 1 0 430.524 2.156 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3cccc(OC)c3)C1)C2=O ZINC000019699984 569231015 /nfs/dbraw/zinc/23/10/15/569231015.db2.gz AMJHUVGSMOROMS-GOSISDBHSA-N 1 0 428.533 2.096 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccc(OC)cc3)C1)C2=O ZINC000019699986 569231052 /nfs/dbraw/zinc/23/10/52/569231052.db2.gz PVADPCPXWDTWSZ-GOSISDBHSA-N 1 0 428.533 2.096 40 0 IEABRO Cc1cnc(C(=O)N2CC[C@H](c3c4cccnc4sc3C(=O)NCC[NH+](C)C)C2)cn1 ZINC000019701998 569231564 /nfs/dbraw/zinc/23/15/64/569231564.db2.gz MMMXTXQAIGSCKI-HNNXBMFYSA-N 1 0 438.557 2.316 40 0 IEABRO Cc1nn2c(nccc2[C@@H]2CCN(C(=O)C3CCCC3)C2)c1C[NH+]1CCC(C(N)=O)CC1 ZINC000019707666 569234428 /nfs/dbraw/zinc/23/44/28/569234428.db2.gz BFOFUXQVBIWESY-LJQANCHMSA-N 1 0 438.576 2.241 40 0 IEABRO O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CC[N@@H+](C4CCCC4)C[C@@H]13)O2 ZINC000253404641 569265194 /nfs/dbraw/zinc/26/51/94/569265194.db2.gz RGEMYKZIQZEZPG-ONTIZHBOSA-N 1 0 439.556 2.368 40 0 IEABRO COC(=O)[C@H]1[C@@H](C(=O)OC)[C@]23C=C[C@@H]1[C@]1(C)Oc4c5c(ccc4OC)C[C@H]2[N@@H+](C)CC[C@]513 ZINC000096316400 291333717 /nfs/dbraw/zinc/33/37/17/291333717.db2.gz QCYVGCPBTZGMEM-VYCIRWLBSA-N 1 0 439.508 2.109 40 0 biogenic,in-vitro IEABRO O=c1c(NS(=O)(=O)c2cccs2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](C2CCOCC2)C1 ZINC000003841465 291339211 /nfs/dbraw/zinc/33/92/11/291339211.db2.gz DNDSXQVJMVXMFD-LSDHHAIUSA-N 1 0 435.571 2.309 40 0 biogenic,in-vitro IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020674824 521092783 /nfs/dbraw/zinc/09/27/83/521092783.db2.gz YCFYSUODLCAMTQ-PMACEKPBSA-N 1 0 442.466 2.493 40 0 IEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000022532192 523018772 /nfs/dbraw/zinc/01/87/72/523018772.db2.gz MYUSUXHKAZCNSV-KRWDZBQOSA-N 1 0 428.574 2.209 40 0 IEABRO O=C(NC1CCCCC1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCC(Cc3ccccc3)CC2)[C@H]1O ZINC000012483499 527514193 /nfs/dbraw/zinc/51/41/93/527514193.db2.gz OWYGNVVCWLGGFK-ZSXJVMONSA-N 1 0 443.588 2.426 40 0 biogenic,in-vitro IEABRO COc1ccccc1N(CC(=O)NCCC[NH+]1CCCC1)S(=O)(=O)c1ccccc1 ZINC000010450045 556335262 /nfs/dbraw/zinc/33/52/62/556335262.db2.gz GPOCSDRICJDMCU-UHFFFAOYSA-N 1 0 431.558 2.493 40 0 IEABRO CC1CC[NH+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000028069195 556443356 /nfs/dbraw/zinc/44/33/56/556443356.db2.gz DJCZBMWOVYOFND-SFHVURJKSA-N 1 0 425.570 2.465 40 0 IEABRO COc1ccc(C[NH2+][C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCc5ccccc54)N3C2)cc1 ZINC000022936740 556455188 /nfs/dbraw/zinc/45/51/88/556455188.db2.gz SLZJTAKIRGHAKY-IMSXRSKXSA-N 1 0 448.567 2.096 40 0 biogenic,in-vitro IEABRO Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)O2 ZINC000038831854 556622201 /nfs/dbraw/zinc/62/22/01/556622201.db2.gz RQNMSCFTJUWQPU-QFIPXVFZSA-N 1 0 443.569 2.434 40 0 IEABRO COc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000044857296 556673114 /nfs/dbraw/zinc/67/31/14/556673114.db2.gz IQZLGKUXYWLROM-UHFFFAOYSA-N 1 0 431.558 2.373 40 0 IEABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 ZINC000044907744 556680074 /nfs/dbraw/zinc/68/00/74/556680074.db2.gz IGGJIKNLGHVDFF-CLCXKQKWSA-N 1 0 443.997 2.351 40 0 IEABRO C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1)N1CCCC1=O ZINC000019077715 556694955 /nfs/dbraw/zinc/69/49/55/556694955.db2.gz HIZNKYMNVCHKJN-SJORKVTESA-N 1 0 441.576 2.200 40 0 IEABRO Cc1nc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)co1 ZINC000257216449 556703127 /nfs/dbraw/zinc/70/31/27/556703127.db2.gz CUOBPBDAZXCFIH-FIXSFTCYSA-N 1 0 426.561 2.202 40 0 IEABRO Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@@]3(O)CCN(c4cc(C)ncn4)C3)cc2)n1 ZINC000257320874 556704217 /nfs/dbraw/zinc/70/42/17/556704217.db2.gz VYZIKDKHXDQQOY-DEOSSOPVSA-N 1 0 436.560 2.408 40 0 IEABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)c3cncs3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257334783 556706301 /nfs/dbraw/zinc/70/63/01/556706301.db2.gz YHJQSDAGUHSPNA-JTAQYXEDSA-N 1 0 428.602 2.362 40 0 IEABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)[C@@H]3CCCOC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257232603 556709311 /nfs/dbraw/zinc/70/93/11/556709311.db2.gz GLPLWFNQUTZSIN-GIQJJWITSA-N 1 0 429.605 2.018 40 0 IEABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)C1CCOCC1 ZINC000257235943 556710037 /nfs/dbraw/zinc/71/00/37/556710037.db2.gz HAEDFKVLMLBIHZ-LSQMVHIFSA-N 1 0 430.589 2.227 40 0 IEABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)CC3CCOCC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257276584 556714391 /nfs/dbraw/zinc/71/43/91/556714391.db2.gz NUJPHNRNEXBRFM-GNKBHMEESA-N 1 0 443.632 2.408 40 0 IEABRO O=C(CCCn1cccn1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257300385 556717357 /nfs/dbraw/zinc/71/73/57/556717357.db2.gz RUBSCJGLGBIRCQ-VDKIKQQVSA-N 1 0 440.588 2.353 40 0 IEABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCOC3)[nH]c(=O)c2C1 ZINC000019238673 556723642 /nfs/dbraw/zinc/72/36/42/556723642.db2.gz LLHPURFMCDPYMB-QAPCUYQASA-N 1 0 428.558 2.398 40 0 IEABRO Cn1cc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)c3cccs3)CC4)C2)cn1 ZINC000019290684 556730788 /nfs/dbraw/zinc/73/07/88/556730788.db2.gz UEPCTNKWLSYJKH-INIZCTEOSA-N 1 0 438.557 2.143 40 0 IEABRO O=C(CN1CCC([NH+]2CCCCC2)CC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292004 556731722 /nfs/dbraw/zinc/73/17/22/556731722.db2.gz MNFMIBXRPRYBPM-HXUWFJFHSA-N 1 0 441.620 2.236 40 0 IEABRO O=C(CN1CCC([NH+]2CCCC2)CC1)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 ZINC000019292036 556731773 /nfs/dbraw/zinc/73/17/73/556731773.db2.gz PLSXAHQGDNHQAR-UHFFFAOYSA-N 1 0 441.620 2.236 40 0 IEABRO O=C(c1cnccn1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343645 556741490 /nfs/dbraw/zinc/74/14/90/556741490.db2.gz OSQVHMQBJKBZCV-OAHLLOKOSA-N 1 0 436.541 2.200 40 0 IEABRO O=C(NCCN1CCOCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372562 556749070 /nfs/dbraw/zinc/74/90/70/556749070.db2.gz ALXOIFKQGHBBFS-DHIUTWEWSA-N 1 0 439.531 2.205 40 0 IEABRO NC(=O)C1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)CC1 ZINC000019372500 556749176 /nfs/dbraw/zinc/74/91/76/556749176.db2.gz WSCWEUWMNULPQI-FGZHOGPDSA-N 1 0 437.515 2.481 40 0 IEABRO O=C(NCCn1ccnc1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372471 556749202 /nfs/dbraw/zinc/74/92/02/556749202.db2.gz ABGYKCRALQWEDM-VXKWHMMOSA-N 1 0 445.571 2.305 40 0 IEABRO COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1OC ZINC000019448253 556757335 /nfs/dbraw/zinc/75/73/35/556757335.db2.gz WFVLGALOKATVNI-LJQANCHMSA-N 1 0 440.544 2.460 40 0 IEABRO COc1ccccc1OCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C(C)C)CC2 ZINC000019448240 556757698 /nfs/dbraw/zinc/75/76/98/556757698.db2.gz MMJHCOLUNBKJNM-GOSISDBHSA-N 1 0 426.517 2.288 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019448431 556758081 /nfs/dbraw/zinc/75/80/81/556758081.db2.gz XBNRFFQUUJGMLB-IBGZPJMESA-N 1 0 432.546 2.071 40 0 IEABRO CCN1C[C@H](C(=O)NC2CC[NH+](Cc3cc(-c4ccccc4F)nn3C)CC2)CC1=O ZINC000019526976 556785400 /nfs/dbraw/zinc/78/54/00/556785400.db2.gz QLPAZFWCZFQSLL-MRXNPFEDSA-N 1 0 427.524 2.175 40 0 IEABRO CCN1C[C@@H](C(=O)NC2CC[NH+](Cc3cc(-c4ccccc4F)nn3C)CC2)CC1=O ZINC000019526975 556785430 /nfs/dbraw/zinc/78/54/30/556785430.db2.gz QLPAZFWCZFQSLL-INIZCTEOSA-N 1 0 427.524 2.175 40 0 IEABRO Cc1sc2ncn(CC3(O)CC[NH+](CC(=O)N4C[C@@H](C)C[C@H](C)C4)CC3)c(=O)c2c1C ZINC000019561422 556802897 /nfs/dbraw/zinc/80/28/97/556802897.db2.gz HUWRGZZDAIKLPP-HOTGVXAUSA-N 1 0 446.617 2.406 40 0 IEABRO Cc1sc2c(C3CCN(C(=O)[C@@H](C)[NH2+][C@H]4CCS(=O)(=O)C4)CC3)nc(C)n2c1C ZINC000019561760 556803067 /nfs/dbraw/zinc/80/30/67/556803067.db2.gz RVSXYXFSNVPFIZ-PXAZEXFGSA-N 1 0 438.619 2.192 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)CCc3ccccc3OC)C1)C2=O ZINC000019700781 556860404 /nfs/dbraw/zinc/86/04/04/556860404.db2.gz TXIPPFIVWGOBIL-IBGZPJMESA-N 1 0 442.560 2.025 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(C[NH+](C)C)cc(N(C)C)n3)C2)cc1 ZINC000019709633 556870933 /nfs/dbraw/zinc/87/09/33/556870933.db2.gz RLTMKXBTOKOJNI-MRXNPFEDSA-N 1 0 433.578 2.181 40 0 IEABRO CNc1nc([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710589 556874020 /nfs/dbraw/zinc/87/40/20/556874020.db2.gz HQVLPIBMRJZFSB-IBGZPJMESA-N 1 0 442.608 2.249 40 0 IEABRO CNc1nc(C2CCN(C(=O)CC[N@@H+]3CCC[C@H](C)C3)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019710838 556874584 /nfs/dbraw/zinc/87/45/84/556874584.db2.gz SZXSYZJMAZOXJP-KRWDZBQOSA-N 1 0 442.608 2.251 40 0 IEABRO CNc1nc(C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)nc2c1CN(C(C)=O)CC2 ZINC000019711420 556876174 /nfs/dbraw/zinc/87/61/74/556876174.db2.gz QJZZRMFUGCHXAL-UHFFFAOYSA-N 1 0 442.608 2.249 40 0 IEABRO O=C(Cn1cccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)c1=O)NCc1ccccc1 ZINC000019745674 556892004 /nfs/dbraw/zinc/89/20/04/556892004.db2.gz IBQNUHNNLDYFCH-OAQYLSRUSA-N 1 0 436.556 2.255 40 0 IEABRO O=C(Cn1cc(C(=O)NCc2ccccc2)ccc1=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000019751319 556895279 /nfs/dbraw/zinc/89/52/79/556895279.db2.gz RPMFMCBKHDKABW-JOCHJYFZSA-N 1 0 436.556 2.255 40 0 IEABRO CCn1nc(C)c(C[NH+]2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)c1C ZINC000019765779 556910793 /nfs/dbraw/zinc/91/07/93/556910793.db2.gz BVXNICDLZQWUCL-UHFFFAOYSA-N 1 0 426.565 2.349 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(OC)c(OC)c1 ZINC000019818070 556920459 /nfs/dbraw/zinc/92/04/59/556920459.db2.gz GSEOROMSUQVCRU-LEWJYISDSA-N 1 0 437.496 2.468 40 0 IEABRO COC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000019818039 556920541 /nfs/dbraw/zinc/92/05/41/556920541.db2.gz LNZNCYCIMHBZSR-RTBURBONSA-N 1 0 426.904 2.478 40 0 IEABRO COc1cccc(S(=O)(=O)N2CCC[C@H](c3nc(C[NH+](C)C)cc(N(C)C)n3)C2)c1 ZINC000072370118 556933735 /nfs/dbraw/zinc/93/37/35/556933735.db2.gz DZVKAYDAGVWCSY-INIZCTEOSA-N 1 0 433.578 2.181 40 0 IEABRO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](CC)CC3)cc2c1 ZINC000019973326 556956439 /nfs/dbraw/zinc/95/64/39/556956439.db2.gz LWSCPRUAJVWJJN-FQEVSTJZSA-N 1 0 439.564 2.395 40 0 IEABRO COc1cc2c(cc1C[N@@H+]1C[C@H]3[C@H](CC[C@]3(O)c3cnc(OC)nc3OC)C1)OCCO2 ZINC000072395417 556967239 /nfs/dbraw/zinc/96/72/39/556967239.db2.gz HRYDXLGIAAMUIM-UYFSRDTQSA-N 1 0 443.500 2.003 40 0 IEABRO O=C(C1[C@@H]2CCCC[C@H]12)N1CCc2nc(C3CC[NH+](C4CCOCC4)CC3)[nH]c(=O)c2C1 ZINC000072398895 556971017 /nfs/dbraw/zinc/97/10/17/556971017.db2.gz BQVRWDZNERSIJN-QIDMFYOTSA-N 1 0 440.588 2.449 40 0 IEABRO C[NH+](C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O ZINC000585106602 557040596 /nfs/dbraw/zinc/04/05/96/557040596.db2.gz CPZWSCXEGGLCMU-ZJSXRUAMSA-N 1 0 425.504 2.225 40 0 IEABRO C[NH+](C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O ZINC000585107020 557041502 /nfs/dbraw/zinc/04/15/02/557041502.db2.gz OJZIKLNMDMVCCO-RCZVLFRGSA-N 1 0 439.531 2.153 40 0 IEABRO O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000585112120 557044621 /nfs/dbraw/zinc/04/46/21/557044621.db2.gz LROJDCNSRLBHHM-JOCHJYFZSA-N 1 0 432.528 2.472 40 0 IEABRO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CC[NH+](C)CC3)c2C)cc1 ZINC000022934603 557052046 /nfs/dbraw/zinc/05/20/46/557052046.db2.gz RETMBQGTPNRYFW-UHFFFAOYSA-N 1 0 444.601 2.472 40 0 IEABRO CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)CN2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000023093014 557063161 /nfs/dbraw/zinc/06/31/61/557063161.db2.gz JELDBPWNWDUHDU-NRFANRHFSA-N 1 0 436.560 2.315 40 0 IEABRO Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n3C)n1CC[NH+](C)C ZINC000023989606 557129876 /nfs/dbraw/zinc/12/98/76/557129876.db2.gz JAYOJDWTVPOIDR-UHFFFAOYSA-N 1 0 428.924 2.030 40 0 IEABRO COc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000006198528 557150352 /nfs/dbraw/zinc/15/03/52/557150352.db2.gz AKFLVWQIGYPFFY-LJQANCHMSA-N 1 0 432.590 2.344 40 0 IEABRO COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CC[NH+](Cc4ccccn4)CC3)O2)cc1 ZINC000096036700 557163756 /nfs/dbraw/zinc/16/37/56/557163756.db2.gz NVESNHBTKSILBI-JOCHJYFZSA-N 1 0 447.539 2.493 40 0 IEABRO CCN1C(=O)[C@H]2C[N@H+](CC(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000096143604 557170467 /nfs/dbraw/zinc/17/04/67/557170467.db2.gz QLQYNMTYSYXGQJ-VQTJNVASSA-N 1 0 437.581 2.415 40 0 IEABRO CNC(=O)[C@@]12CCC3(CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096143835 557171046 /nfs/dbraw/zinc/17/10/46/557171046.db2.gz UHHCXKHMXPFYNY-FXAWDEMLSA-N 1 0 425.982 2.199 40 0 IEABRO CC(C)CCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC[NH+](C)C)[C@H]2CC1 ZINC000096145912 557176029 /nfs/dbraw/zinc/17/60/29/557176029.db2.gz QCNWLHWDBBXHLX-OALUTQOASA-N 1 0 437.606 2.427 40 0 IEABRO CN1CCCN(C(=O)c2cnc(-c3noc4cc(N5CC[NH+](C)CC5)ccc43)s2)CC1 ZINC000096154596 557178576 /nfs/dbraw/zinc/17/85/76/557178576.db2.gz NKBXJLWAWOGPNL-UHFFFAOYSA-N 1 0 440.573 2.481 40 0 IEABRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 ZINC000096242224 557185899 /nfs/dbraw/zinc/18/58/99/557185899.db2.gz SEDMIRPKHUZIKS-IBGZPJMESA-N 1 0 428.577 2.028 40 0 IEABRO COc1cccc(NC(=O)[C@@H]2Cn3ccnc3C3(CC[NH+](Cc4cnn(C)c4)CC3)O2)c1 ZINC000096262969 557190644 /nfs/dbraw/zinc/19/06/44/557190644.db2.gz UFGXOWQZXNCHDG-FQEVSTJZSA-N 1 0 436.516 2.154 40 0 IEABRO CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccc(Oc2ncccn2)c1 ZINC000585261752 557196429 /nfs/dbraw/zinc/19/64/29/557196429.db2.gz GKOFANALOQCNCY-NRFANRHFSA-N 1 0 431.496 2.342 40 0 IEABRO Cn1cnc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[N@H+](C)Cc2ccccc2)c1 ZINC000585262428 557201955 /nfs/dbraw/zinc/20/19/55/557201955.db2.gz BJBLSTYXNVBVTG-LGKPFJOYSA-N 1 0 438.503 2.370 40 0 IEABRO O=C(C[N@H+]1CCC[C@@](O)(COc2ccccc2F)CC1)NCc1cccc2c1OCO2 ZINC000585271502 557213542 /nfs/dbraw/zinc/21/35/42/557213542.db2.gz AHVZYGITHWBEEQ-QHCPKHFHSA-N 1 0 430.476 2.467 40 0 IEABRO COc1ccc(N(CCCC(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)cc1Cl ZINC000010450178 557221785 /nfs/dbraw/zinc/22/17/85/557221785.db2.gz XBBWCPFOEAOCNI-UHFFFAOYSA-N 1 0 431.986 2.497 40 0 IEABRO OC1(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)CCN(c2ccccc2F)CC1 ZINC000585286893 557225624 /nfs/dbraw/zinc/22/56/24/557225624.db2.gz JWQGOHJVPOCUCJ-DEOSSOPVSA-N 1 0 448.510 2.438 40 0 IEABRO Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CC[NH+](C)CC3)Oc3cc(C)ccc32)cc1 ZINC000219403452 557242766 /nfs/dbraw/zinc/24/27/66/557242766.db2.gz BWRCGYQBGQKWNF-QFIPXVFZSA-N 1 0 443.569 2.470 40 0 IEABRO C[NH+]1CCC(Oc2ccc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1 ZINC000219673704 557262062 /nfs/dbraw/zinc/26/20/62/557262062.db2.gz WGOYOYBQXQJQFF-UHFFFAOYSA-N 1 0 443.525 2.333 40 0 IEABRO COc1cccc(N([C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000220187252 557284255 /nfs/dbraw/zinc/28/42/55/557284255.db2.gz KZSKYDPAXJYMSK-KRWDZBQOSA-N 1 0 446.573 2.240 40 0 IEABRO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000222611401 557361496 /nfs/dbraw/zinc/36/14/96/557361496.db2.gz ODUZNMJLTDCFIH-QGZVFWFLSA-N 1 0 425.595 2.116 40 0 IEABRO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@]4(c5ccccc5NC4=O)[C@@H]3C2=O)cc1OC ZINC000033821787 557361759 /nfs/dbraw/zinc/36/17/59/557361759.db2.gz DMYOOPSREMVGOU-VUYBDXIFSA-N 1 0 433.464 2.135 40 0 IEABRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000015935407 557466882 /nfs/dbraw/zinc/46/68/82/557466882.db2.gz ASODOHHSUUHRIJ-UHFFFAOYSA-N 1 0 443.635 2.356 40 0 IEABRO CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000015935817 557467114 /nfs/dbraw/zinc/46/71/14/557467114.db2.gz YKMMCSYVHWJOLS-UHFFFAOYSA-N 1 0 443.635 2.260 40 0 IEABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1CCC[NH+]1CCOCC1 ZINC000223572558 557487683 /nfs/dbraw/zinc/48/76/83/557487683.db2.gz PUBAGUDYUQACDJ-FCHUYYIVSA-N 1 0 443.617 2.187 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3OC)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000017100278 557488780 /nfs/dbraw/zinc/48/87/80/557488780.db2.gz JDOHYXNJOJZTRX-NHCUHLMSSA-N 1 0 436.512 2.224 40 0 IEABRO CC[NH+]1CCN([C@H](c2nnnn2C2CCCC2)c2cc3ccc(OC)cc3[nH]c2=O)CC1 ZINC000019940375 557510132 /nfs/dbraw/zinc/51/01/32/557510132.db2.gz QWRHVGZRZYEBRM-NRFANRHFSA-N 1 0 437.548 2.365 40 0 IEABRO CN(C)S(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000224607602 557630342 /nfs/dbraw/zinc/63/03/42/557630342.db2.gz PVVGNWJXQCTHRX-UHFFFAOYSA-N 1 0 430.574 2.212 40 0 IEABRO C[C@@H]1CCC[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000225491652 557729427 /nfs/dbraw/zinc/72/94/27/557729427.db2.gz HTHNSOVUVPUEBW-QGZVFWFLSA-N 1 0 425.570 2.465 40 0 IEABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2ccccc2F)c1 ZINC000059294640 557820207 /nfs/dbraw/zinc/82/02/07/557820207.db2.gz GYUDCVXFEBAMIH-UHFFFAOYSA-N 1 0 430.505 2.491 40 0 IEABRO COc1ccc(N(CCCC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)S(C)(=O)=O)cc1 ZINC000260838910 557860323 /nfs/dbraw/zinc/86/03/23/557860323.db2.gz FASCYRPZFCBSLL-SFHVURJKSA-N 1 0 425.595 2.480 40 0 IEABRO [NH3+]C1(C(=O)N[C@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000095585229 563188825 /nfs/dbraw/zinc/18/88/25/563188825.db2.gz JDUBGYFRJFOXQC-QGZVFWFLSA-N 1 0 428.924 2.149 40 0 in-vitro IEABRO CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccc(Nc2ncccn2)c1 ZINC000257238006 568682752 /nfs/dbraw/zinc/68/27/52/568682752.db2.gz HJEFNSKBIPBLPR-OAQYLSRUSA-N 1 0 430.512 2.293 40 0 IEABRO CN(C[C@@]1(O)CCN(c2ccnc3cccnc32)C1)C(=O)c1cccc(OCC[NH+](C)C)c1 ZINC000257247093 568687012 /nfs/dbraw/zinc/68/70/12/568687012.db2.gz IXJWAUWMSOKNJX-VWLOTQADSA-N 1 0 449.555 2.284 40 0 IEABRO CC1(C(=O)N2CC[C@](O)(C[N@@H+]3CCc4ccccc4C3)C2)CCN(c2ncccn2)CC1 ZINC000257254390 568690636 /nfs/dbraw/zinc/69/06/36/568690636.db2.gz KCVXLHOKDHNSLT-VWLOTQADSA-N 1 0 435.572 2.105 40 0 IEABRO CC(=O)Nc1cc(NC(=O)CN2C[C@H](O)[C@@H]([N@H+](C)Cc3ccc(F)cc3)C2)ccc1C ZINC000257255486 568690949 /nfs/dbraw/zinc/69/09/49/568690949.db2.gz KHRHDHGXXJWYRV-VXKWHMMOSA-N 1 0 428.508 2.208 40 0 IEABRO CC(=O)NC1CCC(Cc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)CC1 ZINC000257264627 568695054 /nfs/dbraw/zinc/69/50/54/568695054.db2.gz LVIUQLUGHMYZTH-UHFFFAOYSA-N 1 0 426.569 2.241 40 0 IEABRO CN(CC1(O)CCN(c2cccc3nccn32)CC1)C(=O)c1ccc(OCCC[NH3+])cc1 ZINC000257266497 568696247 /nfs/dbraw/zinc/69/62/47/568696247.db2.gz MDGNIGICHSAAJQ-UHFFFAOYSA-N 1 0 437.544 2.165 40 0 IEABRO Cn1c2ccc(NC(=O)C[N@H+]3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cncnc3)cc2n(C)c1=O ZINC000257281487 568702592 /nfs/dbraw/zinc/70/25/92/568702592.db2.gz OPKGOJHZUTXGJH-QWFCFKBJSA-N 1 0 434.544 2.196 40 0 IEABRO C[NH2+]CCOc1cccc(C(=O)N(C)C[C@@]2(O)CCN(c3ccnc4ccc(C)nc43)C2)c1 ZINC000257288661 568706207 /nfs/dbraw/zinc/70/62/07/568706207.db2.gz PVCIONMFFRHCFO-VWLOTQADSA-N 1 0 449.555 2.250 40 0 IEABRO Cc1ccc2nccc(N3CC[C@@](O)(CNC(=O)c4ccc(OCCC[NH3+])cc4)C3)c2n1 ZINC000257297932 568710444 /nfs/dbraw/zinc/71/04/44/568710444.db2.gz RJKRKXJEELUTNW-XMMPIXPASA-N 1 0 435.528 2.037 40 0 IEABRO CN(CC1(O)CCN(c2ccnc3cccnc32)CC1)C(=O)c1cccc(OCCC[NH3+])c1 ZINC000257309475 568715055 /nfs/dbraw/zinc/71/50/55/568715055.db2.gz UBBPXIIGIXBSDQ-UHFFFAOYSA-N 1 0 449.555 2.461 40 0 IEABRO Cc1cnc(C[N@@H+]2CCC[C@]3(C2)C/C=C/COc2ccccc2C(=O)NCCNC3=O)cn1 ZINC000257311239 568716007 /nfs/dbraw/zinc/71/60/07/568716007.db2.gz UIQBNZNIXBZDAD-MGPWBUOISA-N 1 0 449.555 2.252 40 0 IEABRO Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(OCCC[NH3+])cc3)C2)c2cnccc2n1 ZINC000257339454 568728503 /nfs/dbraw/zinc/72/85/03/568728503.db2.gz ZBUVVKUHGOYNJX-VWLOTQADSA-N 1 0 449.555 2.427 40 0 IEABRO CC(C)(C)c1ccc(CN2CC[C@@H]3[C@H](C2)CCCC[N@@H+]3CC(N)=O)c(OCC(N)=O)c1 ZINC000257341826 568729350 /nfs/dbraw/zinc/72/93/50/568729350.db2.gz ZMCSIPJEZANFOB-FXAWDEMLSA-N 1 0 430.593 2.010 40 0 IEABRO Cc1ccccc1CC(=O)N1CCC2(CC1)C[N@H+](C)C[C@@H](C(=O)NCc1ccco1)O2 ZINC000306128084 568764929 /nfs/dbraw/zinc/76/49/29/568764929.db2.gz GPSZUAIJTNDTQX-NRFANRHFSA-N 1 0 425.529 2.139 40 0 IEABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccc4c(c3)OCO4)CC1)COC2 ZINC000306130849 568766462 /nfs/dbraw/zinc/76/64/62/568766462.db2.gz JRDVVFMPCXNNEH-INIZCTEOSA-N 1 0 441.532 2.348 40 0 IEABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4cccnc4OC)C[C@H]2C3)cc1 ZINC000306135408 568768904 /nfs/dbraw/zinc/76/89/04/568768904.db2.gz OPZZYQAJTFWXKK-SJORKVTESA-N 1 0 434.500 2.247 40 0 IEABRO COC(=O)N1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000306137306 568770007 /nfs/dbraw/zinc/77/00/07/568770007.db2.gz QSFYEGROXRNWHG-UHFFFAOYSA-N 1 0 427.534 2.313 40 0 IEABRO Cc1ccsc1C[N@H+]1CC[C@@]2(CCn3c2nn(Cc2csc(C)n2)c(=O)c3=O)C1 ZINC000306139252 568770973 /nfs/dbraw/zinc/77/09/73/568770973.db2.gz STGPUOGETGMEJI-HXUWFJFHSA-N 1 0 429.571 2.136 40 0 IEABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)cc1 ZINC000306141627 568772325 /nfs/dbraw/zinc/77/23/25/568772325.db2.gz WCFNALFOIWQMLJ-DEOSSOPVSA-N 1 0 438.576 2.439 40 0 IEABRO COc1cc(N2C[C@@H](C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)cc(OC)c1OC ZINC000225409929 569182703 /nfs/dbraw/zinc/18/27/03/569182703.db2.gz WBIHFVSNQDFSIS-ZIFCJYIRSA-N 1 0 445.560 2.446 40 0 IEABRO COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000252527506 569208238 /nfs/dbraw/zinc/20/82/38/569208238.db2.gz CSOJIBDUSPFKHQ-IHPCNDPISA-N 1 0 428.533 2.091 40 0 IEABRO CC[NH+](CC)CC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2ccc(OC)cc2)C1 ZINC000019692636 569228049 /nfs/dbraw/zinc/22/80/49/569228049.db2.gz HHOLGXCMAGCSMF-HXUWFJFHSA-N 1 0 427.549 2.460 40 0 IEABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCN(C(=O)C[NH+]3CCCCC3)C2)n1 ZINC000019694784 569229250 /nfs/dbraw/zinc/22/92/50/569229250.db2.gz FNVPIIJIUFNAPI-LJQANCHMSA-N 1 0 436.560 2.110 40 0 IEABRO O=C(c1ccncc1)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699335 569230356 /nfs/dbraw/zinc/23/03/56/569230356.db2.gz SBJSILPBZIUZHO-OAQYLSRUSA-N 1 0 447.539 2.273 40 0 IEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3)CC1)C2=O ZINC000019701357 569231401 /nfs/dbraw/zinc/23/14/01/569231401.db2.gz KWDKLRVMRWNTCT-UHFFFAOYSA-N 1 0 426.561 2.263 40 0 IEABRO Cc1cnc(C(=O)N2CC[C@@H](c3c4cccnc4sc3C(=O)NCC[NH+](C)C)C2)cn1 ZINC000019701997 569231689 /nfs/dbraw/zinc/23/16/89/569231689.db2.gz MMMXTXQAIGSCKI-OAHLLOKOSA-N 1 0 438.557 2.316 40 0 IEABRO CC[NH+](CC)CC(=O)N1CC[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703957 569233153 /nfs/dbraw/zinc/23/31/53/569233153.db2.gz XFPDDVZEZMOZTC-INIZCTEOSA-N 1 0 430.574 2.426 40 0 IEABRO Cc1nn2c(nccc2[C@H]2CN(C(=O)Cc3ccccc3)CCO2)c1C[NH+]1CCC(O)CC1 ZINC000019707719 569234406 /nfs/dbraw/zinc/23/44/06/569234406.db2.gz LSWITWXBQVGRRA-HSZRJFAPSA-N 1 0 449.555 2.137 40 0 IEABRO CNc1cc(C[NH+](C)C)nc([C@@H]2CCCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000019709761 569234741 /nfs/dbraw/zinc/23/47/41/569234741.db2.gz VJKPEHKEIXUMRD-KRWDZBQOSA-N 1 0 447.561 2.267 40 0 IEABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)C[NH+]4CCCC4)C3)nc2C)c1 ZINC000019758261 569237357 /nfs/dbraw/zinc/23/73/57/569237357.db2.gz GGELEBJHTVVBLR-LJQANCHMSA-N 1 0 437.544 2.135 40 0 IEABRO COC[C@H]1CCC[N@@H+]1C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000067870909 291334218 /nfs/dbraw/zinc/33/42/18/291334218.db2.gz RAKWTAFPSLOAQY-RAUXBKROSA-N 1 0 442.025 2.440 40 0 biogenic,in-vitro IEABRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)c1 ZINC000096113487 291336290 /nfs/dbraw/zinc/33/62/90/291336290.db2.gz BYOOEPBHXHLXKZ-RTBURBONSA-N 1 0 428.533 2.415 40 0 biogenic,in-vitro IEABRO COc1ccccc1N1CCN(C(=O)[C@H]2O[C@H](CC[NH+]3CCC(C)CC3)CC[C@@H]2O)CC1 ZINC000030879115 291336463 /nfs/dbraw/zinc/33/64/63/291336463.db2.gz JKJMEKIYOYSZKZ-SSPYTLHUSA-N 1 0 445.604 2.374 40 0 biogenic,in-vitro IEABRO Cc1cc(CNC(=O)[C@@H]2CCC[C@@H]([NH2+]Cc3cccc4c3OCO4)CN(C)C(=O)C2)no1 ZINC000096113489 291337127 /nfs/dbraw/zinc/33/71/27/291337127.db2.gz TTWBSNICFXSPKQ-SJLPKXTDSA-N 1 0 442.516 2.135 40 0 biogenic,in-vitro IEABRO CCOc1cc(C[NH+]2CCC(c3cc(N)n4nc(C)cc4n3)CC2)ccc1OCC(N)=O ZINC000012155338 520697747 /nfs/dbraw/zinc/69/77/47/520697747.db2.gz ORULIYTYAGGQNX-UHFFFAOYSA-N 1 0 438.532 2.262 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020674815 521281112 /nfs/dbraw/zinc/28/11/12/521281112.db2.gz YCFYSUODLCAMTQ-WOJBJXKFSA-N 1 0 442.466 2.493 40 0 IEABRO COc1cc(NC(=O)C[C@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)cc(OC)c1OC ZINC000022607392 522672266 /nfs/dbraw/zinc/67/22/66/522672266.db2.gz JEAMRGAAADANLW-CQSZACIVSA-N 1 0 440.460 2.372 40 0 IEABRO O=C(O[C@@H]1C2CC[NH+](CC2)[C@@H]1CN1CCOCC1)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000022588461 526434022 /nfs/dbraw/zinc/43/40/22/526434022.db2.gz HUNNPEGZZSIPJQ-VDKIKQQVSA-N 1 0 428.573 2.403 40 0 IEABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000015139952 526656375 /nfs/dbraw/zinc/65/63/75/526656375.db2.gz NOKWHVCIHPORCD-UHFFFAOYSA-N 1 0 443.569 2.233 40 0 IEABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)COc2ccccc2)c1 ZINC000408572105 555915604 /nfs/dbraw/zinc/91/56/04/555915604.db2.gz GUARNRHJQDJQJM-UHFFFAOYSA-N 1 0 442.541 2.117 40 0 IEABRO COc1ccc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000013632465 556539848 /nfs/dbraw/zinc/53/98/48/556539848.db2.gz GGRSHIHWCKLEPL-UHFFFAOYSA-N 1 0 431.558 2.493 40 0 IEABRO COc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000013674297 556553581 /nfs/dbraw/zinc/55/35/81/556553581.db2.gz DEZPKQZHTVBHRZ-UHFFFAOYSA-N 1 0 431.986 2.497 40 0 IEABRO O=C(NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000044884618 556674995 /nfs/dbraw/zinc/67/49/95/556674995.db2.gz XVTJOXMTKFCKOM-UHFFFAOYSA-N 1 0 425.570 2.360 40 0 IEABRO C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1)N1CCCC1=O ZINC000019077712 556694938 /nfs/dbraw/zinc/69/49/38/556694938.db2.gz HIZNKYMNVCHKJN-DLBZAZTESA-N 1 0 441.576 2.200 40 0 IEABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C1)N2 ZINC000019127236 556703414 /nfs/dbraw/zinc/70/34/14/556703414.db2.gz YTRXWUABUZDPQG-NRSFXHEJSA-N 1 0 425.524 2.389 40 0 IEABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C1)N2 ZINC000019127232 556703460 /nfs/dbraw/zinc/70/34/60/556703460.db2.gz YTRXWUABUZDPQG-XOYOTBSWSA-N 1 0 425.524 2.389 40 0 IEABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@H+](Cc4ccncc4)C3)nc2C1 ZINC000019347705 556743393 /nfs/dbraw/zinc/74/33/93/556743393.db2.gz RGOARHQOKSGFJC-KRWDZBQOSA-N 1 0 433.487 2.492 40 0 IEABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@H+](Cc4ccccn4)C3)nc2C1 ZINC000019347693 556743583 /nfs/dbraw/zinc/74/35/83/556743583.db2.gz YNHKFVKFUIEBJX-INIZCTEOSA-N 1 0 433.487 2.492 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000019448321 556757409 /nfs/dbraw/zinc/75/74/09/556757409.db2.gz LUWVTUUJFUEKES-LJQANCHMSA-N 1 0 432.546 2.071 40 0 IEABRO COc1ccc(OC)c(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)c1 ZINC000019448249 556757660 /nfs/dbraw/zinc/75/76/60/556757660.db2.gz CMKHEURBZDDBGR-HXUWFJFHSA-N 1 0 440.544 2.460 40 0 IEABRO COc1cc(C[N@@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)ccc1OC(C)C ZINC000019450776 556761487 /nfs/dbraw/zinc/76/14/87/556761487.db2.gz MTLSHHSJWGPNTA-UHFFFAOYSA-N 1 0 428.533 2.415 40 0 IEABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CCOC4)[nH]c(=O)c3C2)cc1 ZINC000019555514 556798430 /nfs/dbraw/zinc/79/84/30/556798430.db2.gz MXFAMQBQRSOSMT-UTKZUKDTSA-N 1 0 438.528 2.449 40 0 IEABRO COc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 ZINC000019571193 556811293 /nfs/dbraw/zinc/81/12/93/556811293.db2.gz LPXUCWHQUGHNFX-JOCHJYFZSA-N 1 0 445.585 2.263 40 0 IEABRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2ccccc2F)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019583343 556820785 /nfs/dbraw/zinc/82/07/85/556820785.db2.gz QMOLJLRJDAIKAP-RTBURBONSA-N 1 0 447.580 2.323 40 0 IEABRO CN1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)CC1 ZINC000019589771 556824633 /nfs/dbraw/zinc/82/46/33/556824633.db2.gz KSOKEWYSXLCENQ-VXKWHMMOSA-N 1 0 434.588 2.066 40 0 IEABRO C=C(C(=O)OCC)C1=C(SCNC(=O)C[C@H]([NH2+]CCC[NH+](C)C)C(=O)[O-])CCCC1 ZINC000065090368 556832325 /nfs/dbraw/zinc/83/23/25/556832325.db2.gz GCYBDHBZLYISHM-KRWDZBQOSA-N 1 0 441.594 2.125 40 0 IEABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000019694076 556849214 /nfs/dbraw/zinc/84/92/14/556849214.db2.gz XTIDPTFIBZOTAL-IBGZPJMESA-N 1 0 436.560 2.110 40 0 IEABRO COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)C[NH+]4CCCC4)nc32)c1 ZINC000019698673 556857463 /nfs/dbraw/zinc/85/74/63/556857463.db2.gz FSBSLJCTGXZQGC-UHFFFAOYSA-N 1 0 437.544 2.327 40 0 IEABRO CC(=O)NCc1ccc([C@H]2CN(C(=O)CCC[NH+]3CCCCCC3)C[C@@H]2C(N)=O)cc1 ZINC000019698738 556857700 /nfs/dbraw/zinc/85/77/00/556857700.db2.gz NCASIDMUMVWUNF-YADHBBJMSA-N 1 0 428.577 2.006 40 0 IEABRO COc1cccc(C[NH+]2CCC(N3C(=O)NC4(CCN(C(=O)C(C)C)CC4)C3=O)CC2)c1 ZINC000019699435 556858850 /nfs/dbraw/zinc/85/88/50/556858850.db2.gz WSCACNNPDKRVQV-UHFFFAOYSA-N 1 0 442.560 2.229 40 0 IEABRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)cc1 ZINC000019708110 556868181 /nfs/dbraw/zinc/86/81/81/556868181.db2.gz OWWSXCXJENOQAM-UHFFFAOYSA-N 1 0 446.573 2.413 40 0 IEABRO COc1cc(C)c(C)cc1S(=O)(=O)N(C)Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)C)n1 ZINC000019710040 556871816 /nfs/dbraw/zinc/87/18/16/556871816.db2.gz RGKAHPMPWYEHTM-KRWDZBQOSA-N 1 0 447.605 2.456 40 0 IEABRO COc1ccc(C)cc1S(=O)(=O)N(C)Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)C)n1 ZINC000019710026 556871862 /nfs/dbraw/zinc/87/18/62/556871862.db2.gz GOQBUHOAOGGDES-INIZCTEOSA-N 1 0 433.578 2.147 40 0 IEABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(S(=O)(=O)c1ccc(OC)cc1)CC2 ZINC000019710307 556872514 /nfs/dbraw/zinc/87/25/14/556872514.db2.gz KFPSCGLVWANQAX-OAHLLOKOSA-N 1 0 431.562 2.083 40 0 IEABRO CNc1nc(C2CCN(C(=O)CC[C@H](C)[NH+]3CCCC3)CC2)nc2c1CN(C(C)=O)CC2 ZINC000019711408 556876162 /nfs/dbraw/zinc/87/61/62/556876162.db2.gz BBESXRBNCJTFQT-KRWDZBQOSA-N 1 0 442.608 2.393 40 0 IEABRO CNc1nc(C2CCN(C(=O)CC[C@@H](C)[NH+]3CCCC3)CC2)nc2c1CN(C(C)=O)CC2 ZINC000019711407 556876165 /nfs/dbraw/zinc/87/61/65/556876165.db2.gz BBESXRBNCJTFQT-QGZVFWFLSA-N 1 0 442.608 2.393 40 0 IEABRO COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCCN3C(=O)C[NH+](C)C)nc21 ZINC000019741893 556885203 /nfs/dbraw/zinc/88/52/03/556885203.db2.gz ZARBGBNNYAMGLU-IBGZPJMESA-N 1 0 437.544 2.498 40 0 IEABRO Cc1nc([C@@H]2CCCN2C(=O)C[NH+](C)C)nc2c1CC(=O)N2CCc1ccccc1F ZINC000019744258 556890235 /nfs/dbraw/zinc/89/02/35/556890235.db2.gz MDMYOHZDBSOSHW-IBGZPJMESA-N 1 0 425.508 2.281 40 0 IEABRO Cc1nn(C)c2nc(C3CCN(C(=O)C[C@@H]4C(=O)NCC[N@@H+]4C4CCCC4)CC3)ccc12 ZINC000019744624 556891010 /nfs/dbraw/zinc/89/10/10/556891010.db2.gz XSIOMPKXQLFPAJ-OAQYLSRUSA-N 1 0 438.576 2.116 40 0 IEABRO Cc1nc(CC2CC[NH+](CC(=O)N3CCC(C(N)=O)CC3)CC2)cc(NC2CCCC2)n1 ZINC000019758468 556902087 /nfs/dbraw/zinc/90/20/87/556902087.db2.gz IANGUYCYPPLULY-UHFFFAOYSA-N 1 0 442.608 2.118 40 0 IEABRO O=C(NCCO)c1cc([C@@H]2CC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)nc2ccccc21 ZINC000019762703 556907522 /nfs/dbraw/zinc/90/75/22/556907522.db2.gz BABCVWUOFOBKJX-GOSISDBHSA-N 1 0 446.555 2.337 40 0 IEABRO CN(C)c1ncccc1C[NH+]1CCC(c2nnc([C@@H]3CCCCN3S(C)(=O)=O)o2)CC1 ZINC000072344925 556916148 /nfs/dbraw/zinc/91/61/48/556916148.db2.gz GHHQLNWQIZVINH-SFHVURJKSA-N 1 0 448.593 2.397 40 0 IEABRO COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)C2(O)CC[NH+](C)CC2)C1 ZINC000072352316 556923851 /nfs/dbraw/zinc/92/38/51/556923851.db2.gz HWMJBVHPZWJXLA-INIZCTEOSA-N 1 0 445.585 2.050 40 0 IEABRO CNc1nc(C2CCN(C(=O)CC[C@H](C)[NH+]3CCCC3)CC2)nc2c1CCN(C(C)=O)C2 ZINC000072372407 556942566 /nfs/dbraw/zinc/94/25/66/556942566.db2.gz WUHICWUKJXYEFS-KRWDZBQOSA-N 1 0 442.608 2.393 40 0 IEABRO Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000585106199 557039716 /nfs/dbraw/zinc/03/97/16/557039716.db2.gz BUJSAQYKZVJCIH-YADHBBJMSA-N 1 0 439.581 2.396 40 0 IEABRO CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)CN2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000023093015 557063155 /nfs/dbraw/zinc/06/31/55/557063155.db2.gz JELDBPWNWDUHDU-OAQYLSRUSA-N 1 0 436.560 2.315 40 0 IEABRO CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCCC[NH+](CC)CC)cc2c1 ZINC000006193103 557148128 /nfs/dbraw/zinc/14/81/28/557148128.db2.gz TXRAGWXOXQSCPT-UHFFFAOYSA-N 1 0 434.606 2.328 40 0 IEABRO CC[NH+](CC)CCCNC(=S)N(CCCO)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000006193066 557148153 /nfs/dbraw/zinc/14/81/53/557148153.db2.gz ITAUGQQPRBQKIA-UHFFFAOYSA-N 1 0 434.606 2.328 40 0 IEABRO COc1ccc2cc(CN(CCC[NH+](C)C)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000006198479 557150082 /nfs/dbraw/zinc/15/00/82/557150082.db2.gz PHJAHXNKAQJHDM-IBGZPJMESA-N 1 0 432.590 2.344 40 0 IEABRO COc1ccc(CN2CCC[C@]3(C(=O)N(C)C)C[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC000096083061 557168540 /nfs/dbraw/zinc/16/85/40/557168540.db2.gz JQXSHFWASXCVOP-URXFXBBRSA-N 1 0 425.577 2.231 40 0 IEABRO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)N2CCCC2)CC3)C1=O ZINC000096144409 557172476 /nfs/dbraw/zinc/17/24/76/557172476.db2.gz PRNQZZXZUIVIIV-DEOSSOPVSA-N 1 0 425.577 2.434 40 0 IEABRO CC[N@@H+]1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)Nc3cccc(OC)c3)CC[C@@H]12 ZINC000096145326 557174583 /nfs/dbraw/zinc/17/45/83/557174583.db2.gz OROGARLEWJMRJQ-NFBKMPQASA-N 1 0 430.549 2.262 40 0 IEABRO C[NH+](C)CCN1[C@H]2CCN(C(=O)C3CCCC3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145909 557176094 /nfs/dbraw/zinc/17/60/94/557176094.db2.gz ISAMZAHLEVIJDF-OALUTQOASA-N 1 0 435.590 2.181 40 0 IEABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CCCSc3nnnn3C)o2)c1 ZINC000022108641 557177855 /nfs/dbraw/zinc/17/78/55/557177855.db2.gz SCEUNXRRLRKDPW-UHFFFAOYSA-N 1 0 445.501 2.315 40 0 IEABRO C[NH+](C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4ccccc4)cn32)CC1 ZINC000096156008 557180873 /nfs/dbraw/zinc/18/08/73/557180873.db2.gz IIAGVXRSORUIPT-UHFFFAOYSA-N 1 0 433.556 2.122 40 0 IEABRO Cc1ccc(CC(=O)N2CCC[C@]3(C(=O)N(C)C)C[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC000096251303 557188324 /nfs/dbraw/zinc/18/83/24/557188324.db2.gz JKWDJLFDLNKZSX-RDGATRHJSA-N 1 0 437.588 2.100 40 0 IEABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1cnc(C)cn1)CC3 ZINC000096262460 557189923 /nfs/dbraw/zinc/18/99/23/557189923.db2.gz WOZFQSJJCDUDOC-GBXCKJPGSA-N 1 0 425.577 2.362 40 0 IEABRO CCc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)on1 ZINC000585261667 557195405 /nfs/dbraw/zinc/19/54/05/557195405.db2.gz PUAMBTTXPGZCQH-HWBMXIPRSA-N 1 0 440.588 2.456 40 0 IEABRO Cn1ccnc1COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585269663 557213771 /nfs/dbraw/zinc/21/37/71/557213771.db2.gz HIQSNHZPLGEULU-DQEYMECFSA-N 1 0 447.583 2.366 40 0 IEABRO O[C@H]1CC[N@H+](CC2(O)CCN(c3cccc(F)c3)CC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585282755 557222105 /nfs/dbraw/zinc/22/21/05/557222105.db2.gz NNJQGLJPIWFFOV-UPVQGACJSA-N 1 0 448.510 2.173 40 0 IEABRO Cc1ccccc1N1CCC(O)(C[N@@H+]2CC[C@@H]3[C@H](C2)CCCCN3S(C)(=O)=O)CC1 ZINC000585283251 557222823 /nfs/dbraw/zinc/22/28/23/557222823.db2.gz MLOBWBXJSQAWKB-RBBKRZOGSA-N 1 0 435.634 2.462 40 0 IEABRO Cc1cccc(OC[C@@]2(O)C[N@H+](CC3(O)CCN(c4cccc(F)c4)CC3)CC[C@@H]2O)c1 ZINC000585284139 557222839 /nfs/dbraw/zinc/22/28/39/557222839.db2.gz VFLKQIAIJLIYGX-ZCYQVOJMSA-N 1 0 444.547 2.342 40 0 IEABRO Cc1ccc(OC[C@@]2(O)C[N@H+](CC3(O)CCN(c4ccccc4F)CC3)CC[C@@H]2O)cc1 ZINC000585284368 557224061 /nfs/dbraw/zinc/22/40/61/557224061.db2.gz XJACFQMWPSJDBH-ZCYQVOJMSA-N 1 0 444.547 2.342 40 0 IEABRO OC1(C[N@@H+]2CCOC[C@@](O)(COc3ccccc3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287199 557225877 /nfs/dbraw/zinc/22/58/77/557225877.db2.gz KWULLHISOFUOMA-XMMPIXPASA-N 1 0 430.520 2.299 40 0 IEABRO COc1ccc(CC[NH2+]C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc1OC ZINC000585290204 557227209 /nfs/dbraw/zinc/22/72/09/557227209.db2.gz ONYAELLLWUMORJ-GMAHTHKFSA-N 1 0 448.947 2.127 40 0 IEABRO OC1(C[N@@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287558 557227642 /nfs/dbraw/zinc/22/76/42/557227642.db2.gz OJIWURFCMWEFEV-DEOSSOPVSA-N 1 0 448.510 2.438 40 0 IEABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2cccc(OC)c2)c1 ZINC000057315824 557245792 /nfs/dbraw/zinc/24/57/92/557245792.db2.gz SZOVTCVDSNODPW-UHFFFAOYSA-N 1 0 442.541 2.360 40 0 IEABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2ccc(OC)cc2)c1 ZINC000057315976 557246073 /nfs/dbraw/zinc/24/60/73/557246073.db2.gz ZCDQJWTZWCDOTJ-UHFFFAOYSA-N 1 0 442.541 2.360 40 0 IEABRO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CC[NH+](C)CC3)c2)cc1 ZINC000022822202 557271245 /nfs/dbraw/zinc/27/12/45/557271245.db2.gz PJMPMPFYHBDAJZ-UHFFFAOYSA-N 1 0 430.574 2.163 40 0 IEABRO CC(C)(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2Cc2ccc(O)cc2)C(=O)Nc2ccc(F)cc21 ZINC000103517923 557315961 /nfs/dbraw/zinc/31/59/61/557315961.db2.gz WDDYSDDYCOLBBE-GSRZOBFVSA-N 1 0 437.471 2.293 40 0 IEABRO COc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccccc2)cc1OC ZINC000113935415 557379023 /nfs/dbraw/zinc/37/90/23/557379023.db2.gz PCYWBCQYRSMZMQ-UHFFFAOYSA-N 1 0 447.557 2.110 40 0 IEABRO COc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccc(C)cc2)cc1 ZINC000113938109 557379463 /nfs/dbraw/zinc/37/94/63/557379463.db2.gz QDKXFWSODLCZNL-UHFFFAOYSA-N 1 0 431.558 2.409 40 0 IEABRO COc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC000113937084 557379468 /nfs/dbraw/zinc/37/94/68/557379468.db2.gz GNBGXYVTWXLFJQ-UHFFFAOYSA-N 1 0 435.521 2.240 40 0 IEABRO COCCn1nnnc1[C@H](c1cccc(OC)c1OC)N1CC[NH+](C2CCCCC2)CC1 ZINC000019594036 557506320 /nfs/dbraw/zinc/50/63/20/557506320.db2.gz HYGFDBAFMHUPCE-NRFANRHFSA-N 1 0 444.580 2.376 40 0 IEABRO Cc1ccc2c(c1)O[C@@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)CN2S(C)(=O)=O ZINC000224625281 557632306 /nfs/dbraw/zinc/63/23/06/557632306.db2.gz BYSJHNHNGAFSSX-JOCHJYFZSA-N 1 0 443.569 2.434 40 0 IEABRO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000225539919 557738856 /nfs/dbraw/zinc/73/88/56/557738856.db2.gz IJYFLDPQZGPZKM-QZTJIDSGSA-N 1 0 425.570 2.465 40 0 IEABRO COCCOc1cc(C[N@@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)ccc1OC ZINC000585269837 568616664 /nfs/dbraw/zinc/61/66/64/568616664.db2.gz LVCFJPMXJHQUPQ-GOTSBHOMSA-N 1 0 441.572 2.088 40 0 IEABRO CC(=O)N1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@](O)(COc2ccccc2)C1 ZINC000585270821 568616825 /nfs/dbraw/zinc/61/68/25/568616825.db2.gz DFICNJNXGARAMF-RUZDIDTESA-N 1 0 441.572 2.101 40 0 IEABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccc(OCCOCCO)cc3)C2)cc1 ZINC000585269951 568616861 /nfs/dbraw/zinc/61/68/61/568616861.db2.gz QWTWSALFFQAFQO-VWLOTQADSA-N 1 0 444.572 2.152 40 0 IEABRO COc1ccc(C[NH2+]C[C@@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2O)c(OC)c1 ZINC000585285893 568619020 /nfs/dbraw/zinc/61/90/20/568619020.db2.gz UYTIIBOWPUSLIH-RBBKRZOGSA-N 1 0 434.920 2.085 40 0 IEABRO Cc1ccc2nccc(N3CCC(O)(CN(C)C(=O)c4ccc(OCC[NH3+])cc4)CC3)c2n1 ZINC000257212736 568671148 /nfs/dbraw/zinc/67/11/48/568671148.db2.gz CESATZDMFSDCKJ-UHFFFAOYSA-N 1 0 449.555 2.379 40 0 IEABRO O=C(CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1)N1CC(=O)Nc2ccccc21 ZINC000257218891 568673692 /nfs/dbraw/zinc/67/36/92/568673692.db2.gz DESVXEFBIKCTIT-DHLKQENFSA-N 1 0 434.540 2.073 40 0 IEABRO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(OCCC[NH3+])c3)C2)c2cnccc2n1 ZINC000257280310 568702565 /nfs/dbraw/zinc/70/25/65/568702565.db2.gz OKIWQYBVXYUUGE-RUZDIDTESA-N 1 0 449.555 2.379 40 0 IEABRO Cc1ncoc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 ZINC000257287375 568705590 /nfs/dbraw/zinc/70/55/90/568705590.db2.gz PPQKIPSNZIMLPI-ICSRJNTNSA-N 1 0 426.517 2.057 40 0 IEABRO CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)CCN2CCOCC2)C1)C1CCCCC1 ZINC000257290958 568707163 /nfs/dbraw/zinc/70/71/63/568707163.db2.gz QFARGVNYSZHJFM-SFHVURJKSA-N 1 0 431.581 2.243 40 0 IEABRO C[C@@]1(O)CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1n1cnc2c1ncnc2N ZINC000257291834 568707498 /nfs/dbraw/zinc/70/74/98/568707498.db2.gz QIUNNTQVCQEBLF-NTKDMRAZSA-N 1 0 449.559 2.233 40 0 IEABRO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(OCCC[NH3+])cc3)C2)c2cnccc2n1 ZINC000257305290 568713587 /nfs/dbraw/zinc/71/35/87/568713587.db2.gz SPHGDHHNYSYDMI-RUZDIDTESA-N 1 0 449.555 2.379 40 0 IEABRO Cc1nn2c(nccc2[C@@H]2CN(C(=O)C3CCCC3)CCO2)c1C[NH+]1CCC(O)CC1 ZINC000257305434 568713847 /nfs/dbraw/zinc/71/38/47/568713847.db2.gz SPYZOYVOKCETCU-NRFANRHFSA-N 1 0 427.549 2.085 40 0 IEABRO CCn1cc(NC(=O)CN2CC[C@@H]3[C@@H](c4ccccc4)[N@H+](C)C[C@]3(NC(C)=O)C2)c(C)n1 ZINC000257309866 568715376 /nfs/dbraw/zinc/71/53/76/568715376.db2.gz UCSKJKBBUFXVNG-HUVFLSCGSA-N 1 0 438.576 2.033 40 0 IEABRO Cc1cc(N2CCC[C@](O)(CNC(=O)c3cccc(OCCC[NH3+])c3)C2)c2cnccc2n1 ZINC000257310543 568715674 /nfs/dbraw/zinc/71/56/74/568715674.db2.gz UFMWWZFJCCHKII-VWLOTQADSA-N 1 0 449.555 2.427 40 0 IEABRO Cc1ncc(-c2cc(CC3CC[NH+](C4CCN(S(C)(=O)=O)CC4)CC3)ccn2)n1C ZINC000257324151 568721987 /nfs/dbraw/zinc/72/19/87/568721987.db2.gz WNKFXXWTTRFEAM-UHFFFAOYSA-N 1 0 431.606 2.469 40 0 IEABRO CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000257327521 568723345 /nfs/dbraw/zinc/72/33/45/568723345.db2.gz XBRCTRNEFKOPDL-DEOSSOPVSA-N 1 0 439.560 2.055 40 0 IEABRO [NH3+]CCCOc1cccc(C(=O)NCC2(O)CCN(c3ccnc4ccncc43)CC2)c1 ZINC000257331951 568725243 /nfs/dbraw/zinc/72/52/43/568725243.db2.gz XVAKARPBHNCRTL-UHFFFAOYSA-N 1 0 435.528 2.119 40 0 IEABRO Cc1nccn1C[C@@]1(O)CN(C(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)CC[N@@H+](C)C1 ZINC000257344808 568730446 /nfs/dbraw/zinc/73/04/46/568730446.db2.gz ZYTCZMDNTLDMOO-XMMPIXPASA-N 1 0 449.559 2.161 40 0 IEABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)s1 ZINC000306127103 568764418 /nfs/dbraw/zinc/76/44/18/568764418.db2.gz FOKLNWZOKSAIPA-HXUWFJFHSA-N 1 0 429.571 2.136 40 0 IEABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)cc1 ZINC000306128597 568765256 /nfs/dbraw/zinc/76/52/56/568765256.db2.gz HFTALTYKJCZQKB-XMMPIXPASA-N 1 0 440.544 2.169 40 0 IEABRO CCCCNC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@]2(CC(C(=O)N3CCCC3)=NO2)C1 ZINC000306133655 568767852 /nfs/dbraw/zinc/76/78/52/568767852.db2.gz MSJLLACBIZQHRB-QPPBQGQZSA-N 1 0 441.576 2.498 40 0 IEABRO Cc1ccc(C[NH+]2CCC3(CC2)CNS(=O)(=O)c2cnc(N4CCCC4)nc23)s1 ZINC000306141684 568772367 /nfs/dbraw/zinc/77/23/67/568772367.db2.gz WDVJBRCBNGEWPM-UHFFFAOYSA-N 1 0 433.603 2.272 40 0 IEABRO Cc1ccc(C[N@@H+]2CC[C@]3(Cc4nn(Cc5csc(C)n5)c(=O)c(=O)n4C3)C2)s1 ZINC000306143228 568773110 /nfs/dbraw/zinc/77/31/10/568773110.db2.gz XWSZNWAGTNAJGK-FQEVSTJZSA-N 1 0 429.571 2.037 40 0 IEABRO CC(C)c1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329057812 568810532 /nfs/dbraw/zinc/81/05/32/568810532.db2.gz VZXXTOHAXWMQCZ-GOSISDBHSA-N 1 0 433.578 2.239 40 0 IEABRO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224330929 568921065 /nfs/dbraw/zinc/92/10/65/568921065.db2.gz JSFFONJZUUEVGD-UHFFFAOYSA-N 1 0 432.912 2.329 40 0 IEABRO COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000252527505 569208259 /nfs/dbraw/zinc/20/82/59/569208259.db2.gz CSOJIBDUSPFKHQ-HOJAQTOUSA-N 1 0 428.533 2.091 40 0 IEABRO CN1CCN(c2nccc(C[N@@H+]3C[C@@H]4CCC[C@@](O)(c5ccc(F)cc5)[C@@H]4C3)n2)CC1 ZINC000019590145 569227214 /nfs/dbraw/zinc/22/72/14/569227214.db2.gz UCOUXTFXVNJXJE-KUWBRRTOSA-N 1 0 425.552 2.487 40 0 IEABRO CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)CC1 ZINC000019693468 569228831 /nfs/dbraw/zinc/22/88/31/569228831.db2.gz XROIFXSHPPJMCV-HXUWFJFHSA-N 1 0 437.544 2.263 40 0 IEABRO NC(=O)C1CC[NH+](CCC(=O)N2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)CC1 ZINC000019693562 569228919 /nfs/dbraw/zinc/22/89/19/569228919.db2.gz DVVVJOBDPXTHQK-JOCHJYFZSA-N 1 0 440.519 2.375 40 0 IEABRO CC(C)C(=O)N1CCC(N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699333 569230374 /nfs/dbraw/zinc/23/03/74/569230374.db2.gz XWKQBWDFICHJAP-UHFFFAOYSA-N 1 0 426.561 2.263 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3OC)CC1)C2=O ZINC000019699355 569230449 /nfs/dbraw/zinc/23/04/49/569230449.db2.gz NTIVLVMCOZOPNW-UHFFFAOYSA-N 1 0 442.560 2.025 40 0 IEABRO O=C(c1cccnc1)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699634 569230620 /nfs/dbraw/zinc/23/06/20/569230620.db2.gz JIYALLSYDYCQJM-OAQYLSRUSA-N 1 0 447.539 2.273 40 0 IEABRO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699642 569230714 /nfs/dbraw/zinc/23/07/14/569230714.db2.gz WILDIILMECNOTF-NRSPTQNISA-N 1 0 438.572 2.263 40 0 IEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3cccc(F)c3)C1)C2=O ZINC000019699715 569230718 /nfs/dbraw/zinc/23/07/18/569230718.db2.gz JEZPQVMTAZZALF-HXUWFJFHSA-N 1 0 444.551 2.402 40 0 IEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O ZINC000019699783 569230721 /nfs/dbraw/zinc/23/07/21/569230721.db2.gz BSQFOGHCGQUGLE-FQEVSTJZSA-N 1 0 426.561 2.263 40 0 IEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccc(F)cc3)C1)C2=O ZINC000019699706 569230722 /nfs/dbraw/zinc/23/07/22/569230722.db2.gz ZDDHUJDWCLREPW-FQEVSTJZSA-N 1 0 444.551 2.402 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3cccc(C)c3)C1)C2=O ZINC000019699930 569230916 /nfs/dbraw/zinc/23/09/16/569230916.db2.gz AUVJTUFIAQRDGC-HXUWFJFHSA-N 1 0 426.561 2.325 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccc(C)cc3)C1)C2=O ZINC000019699928 569230922 /nfs/dbraw/zinc/23/09/22/569230922.db2.gz JFJVCVALJXVVGT-HXUWFJFHSA-N 1 0 426.561 2.325 40 0 IEABRO COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)C[NH+]2CCCCC2)CCO1 ZINC000019702942 569232519 /nfs/dbraw/zinc/23/25/19/569232519.db2.gz QVIFNZABHBOCCZ-QGZVFWFLSA-N 1 0 446.573 2.058 40 0 IEABRO Cc1noc(C)c1S(=O)(=O)N1CCC(Cc2c(C[NH+](C)C)cnc3ccnn32)CC1 ZINC000019704821 569233640 /nfs/dbraw/zinc/23/36/40/569233640.db2.gz XBHLIQBATXPOPQ-UHFFFAOYSA-N 1 0 432.550 2.039 40 0 IEABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)n1 ZINC000019709644 569234703 /nfs/dbraw/zinc/23/47/03/569234703.db2.gz IKERSOZRQKQYKP-INIZCTEOSA-N 1 0 433.578 2.147 40 0 IEABRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)c(N)n2)CC1 ZINC000019765912 569239088 /nfs/dbraw/zinc/23/90/88/569239088.db2.gz JQJFOANWNNQDEE-KRWDZBQOSA-N 1 0 443.592 2.011 40 0 IEABRO Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC(=O)N(C)C1 ZINC000096113512 291333073 /nfs/dbraw/zinc/33/30/73/291333073.db2.gz QFLGFGUYXOLPLO-VQIMIIECSA-N 1 0 433.503 2.122 40 0 biogenic,in-vitro IEABRO COC(=O)[C@H]1[C@@H](C(=O)OC)[C@]23C=C[C@@H]1[C@@]1(C)Oc4c5c(ccc4OC)C[C@H]2[N@@H+](C)CC[C@]513 ZINC000096316399 291333699 /nfs/dbraw/zinc/33/36/99/291333699.db2.gz QCYVGCPBTZGMEM-SZTGVVSUSA-N 1 0 439.508 2.109 40 0 biogenic,in-vitro IEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(S(=O)(=O)CCc1ccccc1)CC2 ZINC000072345731 522687955 /nfs/dbraw/zinc/68/79/55/522687955.db2.gz MGDGSZYBJRPKOW-SFHVURJKSA-N 1 0 429.590 2.258 40 0 IEABRO O=C(O[C@H]1C2CC[NH+](CC2)[C@@H]1CN1CCOCC1)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000022588469 526436178 /nfs/dbraw/zinc/43/61/78/526436178.db2.gz HUNNPEGZZSIPJQ-GIFXNVAJSA-N 1 0 428.573 2.403 40 0 IEABRO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1)Nc1ccccc1 ZINC000020635230 526826872 /nfs/dbraw/zinc/82/68/72/526826872.db2.gz FJRZUMMARGGAME-AWEZNQCLSA-N 1 0 429.278 2.269 40 0 IEABRO C[N@@H+]1[C@@H]2CCN(Cc3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1 ZINC000022922590 556341271 /nfs/dbraw/zinc/34/12/71/556341271.db2.gz PMFDYQUBFBOXRP-DWLFOUALSA-N 1 0 444.963 2.403 40 0 biogenic,in-vitro IEABRO COc1ccc(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000013673277 556553444 /nfs/dbraw/zinc/55/34/44/556553444.db2.gz HDFDGKWDZFKENX-UHFFFAOYSA-N 1 0 425.938 2.222 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCCCC3)CC2)cc1 ZINC000016259153 556594921 /nfs/dbraw/zinc/59/49/21/556594921.db2.gz KSEJJUCWJCQQIP-UHFFFAOYSA-N 1 0 437.606 2.478 40 0 IEABRO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(C[NH+](C4CCC(F)(F)CC4)C3)C2)c1 ZINC000514289269 556625523 /nfs/dbraw/zinc/62/55/23/556625523.db2.gz KOUMWNSFRSGPLF-LEWJYISDSA-N 1 0 449.542 2.356 40 0 biogenic,in-vitro IEABRO C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1)N1CCCC1=O ZINC000019077707 556694837 /nfs/dbraw/zinc/69/48/37/556694837.db2.gz HIZNKYMNVCHKJN-IAGOWNOFSA-N 1 0 441.576 2.200 40 0 IEABRO Cc1nc(C)n(CC(=O)N2CCCC[C@H]3CN(C(=O)c4ccc(C[NH+](C)C)cc4)C[C@H]32)n1 ZINC000019285740 556727496 /nfs/dbraw/zinc/72/74/96/556727496.db2.gz OXVYQUXTLBTVBZ-FCHUYYIVSA-N 1 0 438.576 2.110 40 0 IEABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CC[N@H+](Cc4cccnc4)C3)nc2C1 ZINC000019347695 556743573 /nfs/dbraw/zinc/74/35/73/556743573.db2.gz KXGSNQFBLMTAOF-QGZVFWFLSA-N 1 0 433.487 2.492 40 0 IEABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2cccc(F)c2F)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450170 556761264 /nfs/dbraw/zinc/76/12/64/556761264.db2.gz ZVMBEDLESJLKKS-ROUUACIJSA-N 1 0 445.514 2.332 40 0 IEABRO CC(C)S(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019451038 556761886 /nfs/dbraw/zinc/76/18/86/556761886.db2.gz HYGXQTNMJCHLLJ-HNNXBMFYSA-N 1 0 436.603 2.307 40 0 IEABRO CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)c(C)n1 ZINC000019524654 556782052 /nfs/dbraw/zinc/78/20/52/556782052.db2.gz QCCOMOZITXCXCM-SFHVURJKSA-N 1 0 448.593 2.389 40 0 IEABRO CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(C(=O)C3CCC3)C[C@H]2C1=O ZINC000019526390 556784511 /nfs/dbraw/zinc/78/45/11/556784511.db2.gz OWDRKLVOMKVBCU-CYFREDJKSA-N 1 0 426.561 2.122 40 0 IEABRO COc1cc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)cc(OC)c1OC ZINC000019549805 556795030 /nfs/dbraw/zinc/79/50/30/556795030.db2.gz AAJHRUMUZORVFH-OAHLLOKOSA-N 1 0 425.493 2.068 40 0 IEABRO Cc1sc2c(C3CCN(C(=O)[C@@H](C)[NH2+][C@@H]4CCS(=O)(=O)C4)CC3)nc(C)n2c1C ZINC000019561754 556803109 /nfs/dbraw/zinc/80/31/09/556803109.db2.gz RVSXYXFSNVPFIZ-SJKOYZFVSA-N 1 0 438.619 2.192 40 0 IEABRO CN(C[C@@H](O)c1ccccc1)C(=O)C[NH+]1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 ZINC000019585961 556822826 /nfs/dbraw/zinc/82/28/26/556822826.db2.gz OEJWNQLSOYRQPE-JOCHJYFZSA-N 1 0 438.572 2.341 40 0 IEABRO COc1ccc(C[NH+]2CCC(N3C(=O)NC4(CCN(C(=O)C(C)C)CC4)C3=O)CC2)cc1 ZINC000019699432 556858919 /nfs/dbraw/zinc/85/89/19/556858919.db2.gz OOHPAONFOIVQSQ-UHFFFAOYSA-N 1 0 442.560 2.229 40 0 IEABRO COc1ccc(C)cc1S(=O)(=O)N(C)Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)C)n1 ZINC000019710025 556871832 /nfs/dbraw/zinc/87/18/32/556871832.db2.gz GOQBUHOAOGGDES-MRXNPFEDSA-N 1 0 433.578 2.147 40 0 IEABRO CC[NH+]1CCC(CC(=O)N2CCC(c3nc4c(c(NC)n3)CCN(C(C)=O)C4)CC2)CC1 ZINC000019710899 556874817 /nfs/dbraw/zinc/87/48/17/556874817.db2.gz FXCQWCVMDGBIAC-UHFFFAOYSA-N 1 0 442.608 2.251 40 0 IEABRO CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)CC[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000019711394 556875863 /nfs/dbraw/zinc/87/58/63/556875863.db2.gz URTQXYIAOGLCNC-QGZVFWFLSA-N 1 0 442.608 2.251 40 0 IEABRO COc1ccccc1CN1C(=O)CCc2c(C)nc([C@H]3CCCN3C(=O)C[NH+](C)C)nc21 ZINC000019741895 556885174 /nfs/dbraw/zinc/88/51/74/556885174.db2.gz ZARBGBNNYAMGLU-LJQANCHMSA-N 1 0 437.544 2.498 40 0 IEABRO COCCn1c2nc([C@@H]3CCC[N@H+](Cc4ccc(OC)cc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743588 556888159 /nfs/dbraw/zinc/88/81/59/556888159.db2.gz JHWKDWBWYDICTA-GOSISDBHSA-N 1 0 438.528 2.130 40 0 IEABRO O=C(Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)N1CC[NH+](C2CCCC2)CC1 ZINC000019750301 556894397 /nfs/dbraw/zinc/89/43/97/556894397.db2.gz OOFWIVYFQFUVDY-UHFFFAOYSA-N 1 0 426.492 2.327 40 0 IEABRO Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000019756469 556900163 /nfs/dbraw/zinc/90/01/63/556900163.db2.gz AQYNVFUIKCSXPA-UHFFFAOYSA-N 1 0 441.551 2.366 40 0 IEABRO CCOC(=O)[C@@H]1CN(Cc2ccc(C[NH+](C)C)cc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334317 556906852 /nfs/dbraw/zinc/90/68/52/556906852.db2.gz FBVMZNZUCCVKCV-OFVILXPXSA-N 1 0 437.540 2.304 40 0 IEABRO COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)N[C@@H]1C[NH+]3CCC1CC3)NC2=O ZINC000072339231 556911747 /nfs/dbraw/zinc/91/17/47/556911747.db2.gz JZPKEUKJIURZGC-ILBQBJFFSA-N 1 0 425.529 2.160 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(OC)c(OC)c1 ZINC000019818072 556920770 /nfs/dbraw/zinc/92/07/70/556920770.db2.gz GSEOROMSUQVCRU-RTWAWAEBSA-N 1 0 437.496 2.468 40 0 IEABRO CNc1cc([C@H]2CCC[NH2+]C2)nc(CN(C)C(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)n1 ZINC000072370170 556933908 /nfs/dbraw/zinc/93/39/08/556933908.db2.gz LCJUBXNIGBQUNP-HNNXBMFYSA-N 1 0 438.532 2.367 40 0 IEABRO CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000072372420 556942803 /nfs/dbraw/zinc/94/28/03/556942803.db2.gz LJXULDCESJQIQN-QFIPXVFZSA-N 1 0 437.588 2.456 40 0 IEABRO COc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)ccc1OCC(N)=O ZINC000072393138 556964214 /nfs/dbraw/zinc/96/42/14/556964214.db2.gz AGXUJLJYYUXGNZ-SFHVURJKSA-N 1 0 449.511 2.084 40 0 IEABRO O=C(C[C@H]1C=CCC1)N1CCc2nc(C3CC[NH+](C4CCOCC4)CC3)[nH]c(=O)c2C1 ZINC000072398892 556971257 /nfs/dbraw/zinc/97/12/57/556971257.db2.gz KLGVZCLRDHWJCB-KRWDZBQOSA-N 1 0 426.561 2.369 40 0 IEABRO O=C(c1cnccn1)N1CCc2nc(C3CC[NH+](Cc4cccc(F)c4)CC3)[nH]c(=O)c2C1 ZINC000072399016 556971457 /nfs/dbraw/zinc/97/14/57/556971457.db2.gz QMOQCXNEPPNYLM-UHFFFAOYSA-N 1 0 448.502 2.277 40 0 IEABRO CS(=O)(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CC[NH+](Cc4ccsc4)CC3)n2)C1 ZINC000072399204 556971815 /nfs/dbraw/zinc/97/18/15/556971815.db2.gz NPDYXIIBLQUPKH-QGZVFWFLSA-N 1 0 436.603 2.350 40 0 IEABRO O=C1C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000015080790 556977771 /nfs/dbraw/zinc/97/77/71/556977771.db2.gz QXPAJEDHDJWFNJ-LJQANCHMSA-N 1 0 447.944 2.415 40 0 IEABRO Cc1cc(C)cc(C(=O)N2CC[C@]3(C2)CCc2nnc(C(=O)NCC[NH+](C)C)n2CC3)c1 ZINC000585106806 557041123 /nfs/dbraw/zinc/04/11/23/557041123.db2.gz SKLFOKDKRDSPPO-XMMPIXPASA-N 1 0 438.576 2.055 40 0 IEABRO Cc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000022934951 557052133 /nfs/dbraw/zinc/05/21/33/557052133.db2.gz DLRKNJHZSBRTJS-UHFFFAOYSA-N 1 0 430.574 2.163 40 0 IEABRO Cn1cc(CN2C[C@@H]3C[N@H+](Cc4ccsc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056188 557167518 /nfs/dbraw/zinc/16/75/18/557167518.db2.gz WOZKRPOHRZQUOJ-GMAHTHKFSA-N 1 0 443.617 2.055 40 0 IEABRO CCN1C(=O)[C@H]2C[N@H+](CC(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1F)CC2 ZINC000096143603 557170472 /nfs/dbraw/zinc/17/04/72/557170472.db2.gz KUSXZNJVUNIDQM-ZWKOTPCHSA-N 1 0 437.581 2.415 40 0 IEABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N(C)C)C1)CCN(S(=O)(=O)c1cccc(OC)c1)CC3 ZINC000096143883 557171343 /nfs/dbraw/zinc/17/13/43/557171343.db2.gz BBJQJFZZVJIMMR-NZQKXSOJSA-N 1 0 449.617 2.286 40 0 IEABRO CN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)NC2CCCC2)CC3)C1=O ZINC000096144289 557172081 /nfs/dbraw/zinc/17/20/81/557172081.db2.gz OBUWWVRZURIYJF-DEOSSOPVSA-N 1 0 425.577 2.480 40 0 IEABRO CC(C)CCN1Cc2c(C(=O)N(C)CC[NH+](C)C)ncn2-c2ccccc2S1(=O)=O ZINC000096147519 557177333 /nfs/dbraw/zinc/17/73/33/557177333.db2.gz NQTUDNCLBMVGHI-UHFFFAOYSA-N 1 0 433.578 2.056 40 0 IEABRO CCc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NC[C@@H]2CCCO2)Cn2ccnc23)o1 ZINC000096243757 557187655 /nfs/dbraw/zinc/18/76/55/557187655.db2.gz ZZQAFMSPQOYOTQ-AZUAARDMSA-N 1 0 428.533 2.224 40 0 IEABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)O[C@H](C(=O)NCc1ccccn1)Cn1ccnc12 ZINC000096243854 557187852 /nfs/dbraw/zinc/18/78/52/557187852.db2.gz DUSDKCNFPKPJOV-FQEVSTJZSA-N 1 0 436.516 2.089 40 0 IEABRO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(S(=O)(=O)CC(C)C)CC3)C1=O ZINC000096262672 557190029 /nfs/dbraw/zinc/19/00/29/557190029.db2.gz LSVYNPUKEJFRRD-QHCPKHFHSA-N 1 0 448.633 2.204 40 0 IEABRO O=C(c1ccccc1Cn1cccn1)N1CC[C@](O)(C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000585262136 557200950 /nfs/dbraw/zinc/20/09/50/557200950.db2.gz CFRYWLUROPYLRP-SANMLTNESA-N 1 0 445.567 2.331 40 0 IEABRO O[C@H]1CC[N@H+](Cc2cccc(OCCn3ccnc3)c2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585281203 557220850 /nfs/dbraw/zinc/22/08/50/557220850.db2.gz GOEKMEUVFLNSTI-ZEQRLZLVSA-N 1 0 441.503 2.478 40 0 IEABRO O[C@H]1CC[N@H+](Cc2cccc(OCCn3cccn3)c2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585282111 557221117 /nfs/dbraw/zinc/22/11/17/557221117.db2.gz XUVNDMFCXGRBCP-ZEQRLZLVSA-N 1 0 441.503 2.478 40 0 IEABRO CCOC(=O)N1CCC([N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)CC1 ZINC000585283092 557222381 /nfs/dbraw/zinc/22/23/81/557222381.db2.gz PRAQZNTWYHGSQM-DEOSSOPVSA-N 1 0 447.576 2.198 40 0 IEABRO COCC(=O)N1CC[N@H+](CC2(O)CCCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585283094 557222443 /nfs/dbraw/zinc/22/24/43/557222443.db2.gz PSIGUOJXPVXYEO-RUZDIDTESA-N 1 0 448.604 2.289 40 0 IEABRO COc1ccccc1N(CCCC(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000222559635 557351959 /nfs/dbraw/zinc/35/19/59/557351959.db2.gz ADYATBXKUBJYLC-UHFFFAOYSA-N 1 0 425.595 2.480 40 0 IEABRO COc1cccc(N(CCCC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)S(C)(=O)=O)c1 ZINC000223189832 557443396 /nfs/dbraw/zinc/44/33/96/557443396.db2.gz PDJFFFJTXUIRJI-GOSISDBHSA-N 1 0 425.595 2.480 40 0 IEABRO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000223712295 557505133 /nfs/dbraw/zinc/50/51/33/557505133.db2.gz GCOZIDQKMAVFQX-UHFFFAOYSA-N 1 0 425.595 2.116 40 0 IEABRO Cc1ccc2c(c1)O[C@@H](C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CN2S(C)(=O)=O ZINC000224505557 557614033 /nfs/dbraw/zinc/61/40/33/557614033.db2.gz UXHBCUJMDZLFSQ-JOCHJYFZSA-N 1 0 443.569 2.434 40 0 IEABRO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)OCO2 ZINC000224606165 557630149 /nfs/dbraw/zinc/63/01/49/557630149.db2.gz CPCZYEDCOGXHSV-UHFFFAOYSA-N 1 0 445.541 2.094 40 0 IEABRO COc1cccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000224765184 557649240 /nfs/dbraw/zinc/64/92/40/557649240.db2.gz OTXNEUDBMSDVNV-UHFFFAOYSA-N 1 0 431.558 2.373 40 0 IEABRO Cc1ccc2c(c1)O[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)CN2S(C)(=O)=O ZINC000224788805 557651468 /nfs/dbraw/zinc/65/14/68/557651468.db2.gz ZUZPXSDWQNOYMB-JOCHJYFZSA-N 1 0 443.569 2.434 40 0 IEABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCN(Cc3ccc(OCc4ccccn4)cc3)C2)CC1 ZINC000585270560 568617147 /nfs/dbraw/zinc/61/71/47/568617147.db2.gz ZRGGBZHMPVVRLB-RUZDIDTESA-N 1 0 438.572 2.198 40 0 IEABRO O[C@]1(C[NH+]2CCC(F)(F)CC2)CCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000585274737 568618430 /nfs/dbraw/zinc/61/84/30/568618430.db2.gz ZUKKDSNWLJLQMC-QFIPXVFZSA-N 1 0 439.547 2.066 40 0 IEABRO OC1(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287782 568619303 /nfs/dbraw/zinc/61/93/03/568619303.db2.gz RMXNEBCVJRXQRO-DEOSSOPVSA-N 1 0 448.510 2.438 40 0 IEABRO [NH3+]CCCCC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257229903 568678717 /nfs/dbraw/zinc/67/87/17/568678717.db2.gz FZYDZVXZCMDGAQ-PXNSSMCTSA-N 1 0 437.968 2.314 40 0 IEABRO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@](O)(Cn3cccn3)C2)cc1NCc1ccccn1 ZINC000257246612 568686822 /nfs/dbraw/zinc/68/68/22/568686822.db2.gz IUWLNWYHKVZNCC-DEOSSOPVSA-N 1 0 434.544 2.018 40 0 IEABRO Cc1cc(N2CC[C@](O)(CN(C)C(=O)C3(Cc4ccccc4)CC[NH+](C)CC3)C2)ncn1 ZINC000257259948 568693011 /nfs/dbraw/zinc/69/30/11/568693011.db2.gz LASVFMMEXBQITR-VWLOTQADSA-N 1 0 437.588 2.139 40 0 IEABRO CC1CC[NH+](CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)CC1 ZINC000257266538 568696201 /nfs/dbraw/zinc/69/62/01/568696201.db2.gz MDKNOOATFBYZCD-GMAHTHKFSA-N 1 0 443.588 2.263 40 0 IEABRO C[NH+](C)CCOc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)cc1 ZINC000257285900 568704791 /nfs/dbraw/zinc/70/47/91/568704791.db2.gz PJJJYWDXAADXJX-JOCHJYFZSA-N 1 0 448.527 2.275 40 0 IEABRO CCc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)no1 ZINC000257305177 568713600 /nfs/dbraw/zinc/71/36/00/568713600.db2.gz SOSQACBHFLKKFR-LSQMVHIFSA-N 1 0 440.588 2.456 40 0 IEABRO Cc1ccc(C[N@@H+]2CC[C@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)s1 ZINC000306127102 568764379 /nfs/dbraw/zinc/76/43/79/568764379.db2.gz FOKLNWZOKSAIPA-FQEVSTJZSA-N 1 0 429.571 2.136 40 0 IEABRO CCc1ccc(C[N@@H+]2CC[C@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)cc1 ZINC000306127211 568764658 /nfs/dbraw/zinc/76/46/58/568764658.db2.gz FRTTXFMGIRFPOR-QHCPKHFHSA-N 1 0 437.569 2.328 40 0 IEABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306141623 568772153 /nfs/dbraw/zinc/77/21/53/568772153.db2.gz WCEGGZIDLLWJSN-RBUKOAKNSA-N 1 0 431.496 2.241 40 0 IEABRO COC(=O)c1ccc(Nc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)cc1OC ZINC000329057784 568810600 /nfs/dbraw/zinc/81/06/00/568810600.db2.gz VYZKVUCDRHDIBQ-UHFFFAOYSA-N 1 0 436.516 2.285 40 0 IEABRO COC(=O)c1ccc(OC)c(Nc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)c1 ZINC000329056790 568810601 /nfs/dbraw/zinc/81/06/01/568810601.db2.gz VUXRQFOMPXSZQQ-UHFFFAOYSA-N 1 0 436.516 2.285 40 0 IEABRO COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000252527507 569208251 /nfs/dbraw/zinc/20/82/51/569208251.db2.gz CSOJIBDUSPFKHQ-YZGWKJHDSA-N 1 0 428.533 2.091 40 0 IEABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCN(C(=O)CC[NH+]3CCCC3)C2)n1 ZINC000019694761 569229228 /nfs/dbraw/zinc/22/92/28/569229228.db2.gz ZSRSJFQPGAOIQK-IBGZPJMESA-N 1 0 436.560 2.110 40 0 IEABRO CCn1cc(CN(C)C(=O)[C@H]2CN(C(C)=O)C[C@@H]2c2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000019699196 569230287 /nfs/dbraw/zinc/23/02/87/569230287.db2.gz NLQWXRQUPXUHMT-PKTZIBPZSA-N 1 0 425.577 2.494 40 0 IEABRO O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2c[nH]cn2)CC1 ZINC000019699325 569230433 /nfs/dbraw/zinc/23/04/33/569230433.db2.gz ZREUWDKKTPLMLO-UHFFFAOYSA-N 1 0 436.560 2.003 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccc(OC)cc3)CC1)C2=O ZINC000019699356 569230483 /nfs/dbraw/zinc/23/04/83/569230483.db2.gz VTMXBEFSJIQLDF-UHFFFAOYSA-N 1 0 442.560 2.025 40 0 IEABRO CC(C)C(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699960 569231033 /nfs/dbraw/zinc/23/10/33/569231033.db2.gz KDJILJSFNBEMRI-HXUWFJFHSA-N 1 0 426.561 2.263 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3cccc(OC)c3)C1)C2=O ZINC000019700029 569231036 /nfs/dbraw/zinc/23/10/36/569231036.db2.gz GXUMWRLMQVWHDS-LJQANCHMSA-N 1 0 442.560 2.025 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCc3ccccc3)C1)C2=O ZINC000019700034 569231054 /nfs/dbraw/zinc/23/10/54/569231054.db2.gz DMUPZVTTZRLUJW-FQEVSTJZSA-N 1 0 426.561 2.407 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cc(C4CC4)on3)CC1)C2=O ZINC000019700684 569231298 /nfs/dbraw/zinc/23/12/98/569231298.db2.gz YPOQHRXFJVMRKU-UHFFFAOYSA-N 1 0 443.548 2.201 40 0 IEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3F)CC1)C2=O ZINC000019701360 569231349 /nfs/dbraw/zinc/23/13/49/569231349.db2.gz LSEJIRWEYZDLEK-UHFFFAOYSA-N 1 0 444.551 2.402 40 0 IEABRO CC[NH+](CC)CC(=O)N1CC[C@@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703956 569233167 /nfs/dbraw/zinc/23/31/67/569233167.db2.gz XFPDDVZEZMOZTC-MRXNPFEDSA-N 1 0 430.574 2.426 40 0 IEABRO CC1CC[NH+](CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](NC(=O)C2CCCC2)C3)CC1 ZINC000019749581 569236769 /nfs/dbraw/zinc/23/67/69/569236769.db2.gz FMDYYDKGFYDHCS-NRFANRHFSA-N 1 0 433.618 2.470 40 0 IEABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C2)ncc1C(N)=O ZINC000019763693 569238078 /nfs/dbraw/zinc/23/80/78/569238078.db2.gz MJRAIGICJVGDGA-IBGZPJMESA-N 1 0 437.544 2.265 40 0 IEABRO C[NH+](C)CCNc1nc(-c2cccnc2)cc(=NNc2ccc(N[SH](=O)=O)cc2)[nH]1 ZINC000329045952 569582853 /nfs/dbraw/zinc/58/28/53/569582853.db2.gz TYFJPRMMEYTLCM-UHFFFAOYSA-N 1 0 428.522 2.720 40 0 IEABRO CC(=O)N1CCC([NH2+]C[C@H]2O[C@H](Cc3cc(COc4ccccc4)on3)CC[C@@H]2O)CC1 ZINC000077262979 291330623 /nfs/dbraw/zinc/33/06/23/291330623.db2.gz OFQZISBORONQTO-OEMFJLHTSA-N 1 0 443.544 2.305 40 0 biogenic,in-vitro IEABRO O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(c2ncccn2)CC1)Nc1ccccc1 ZINC000067870877 291338001 /nfs/dbraw/zinc/33/80/01/291338001.db2.gz FEFYAJMDOKWGIX-JAXLGGSGSA-N 1 0 435.576 2.131 40 0 biogenic,in-vitro IEABRO O=c1c(NS(=O)(=O)Cc2ccccc2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](C2CCOCC2)C1 ZINC000003841435 291339220 /nfs/dbraw/zinc/33/92/20/291339220.db2.gz MPOHAHQEEMULQX-RBUKOAKNSA-N 1 0 443.569 2.388 40 0 biogenic,in-vitro IEABRO C[NH+]1CCN(c2ccc3c(c2)onc3-c2ncc(C(=O)NCC(C)(C)CO)s2)CC1 ZINC000096266616 193948384 /nfs/dbraw/zinc/94/83/84/193948384.db2.gz FJGQZUNBTCCEJS-UHFFFAOYSA-N 1 0 429.546 2.451 40 0 IEABRO COc1cc([C@H]2c3cc4c(cc3[C@H](OCC[NH3+])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000016957928 522970637 /nfs/dbraw/zinc/97/06/37/522970637.db2.gz AVQJGWBIRNZWFE-YXXMBDFVSA-N 1 0 443.452 2.089 40 0 IEABRO [NH2+]=C(NC1=N[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1)Nc1ccccc1 ZINC000020635233 526826724 /nfs/dbraw/zinc/82/67/24/526826724.db2.gz FJRZUMMARGGAME-CQSZACIVSA-N 1 0 429.278 2.269 40 0 IEABRO OCCCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329066064 527541866 /nfs/dbraw/zinc/54/18/66/527541866.db2.gz XWNKNYLEFIVDHH-UHFFFAOYSA-N 1 0 439.482 2.482 40 0 IEABRO CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)OC(C)(C)C ZINC000005519452 556057851 /nfs/dbraw/zinc/05/78/51/556057851.db2.gz PPOBHQUEJKYAOG-SLFFLAALSA-N 1 0 431.577 2.339 40 0 IEABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(OC)c1 ZINC000408710033 556116589 /nfs/dbraw/zinc/11/65/89/556116589.db2.gz MCVQXXAQTQDOPF-SFHVURJKSA-N 1 0 438.528 2.164 40 0 IEABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(OC)cc1 ZINC000408710176 556116918 /nfs/dbraw/zinc/11/69/18/556116918.db2.gz RETMVCWBACIVRM-SFHVURJKSA-N 1 0 438.528 2.164 40 0 IEABRO COc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2cccc(Cl)c2)cc1 ZINC000010111607 556325963 /nfs/dbraw/zinc/32/59/63/556325963.db2.gz IBXIULNLUHTFQI-UHFFFAOYSA-N 1 0 425.938 2.222 40 0 IEABRO O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000029601501 556478646 /nfs/dbraw/zinc/47/86/46/556478646.db2.gz HGFZCGFDRPMAFE-UHFFFAOYSA-N 1 0 427.526 2.133 40 0 IEABRO CC1CC[NH+](CCCNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)CC1 ZINC000013670202 556550999 /nfs/dbraw/zinc/55/09/99/556550999.db2.gz FYYVKBLQXKTZHW-UHFFFAOYSA-N 1 0 446.411 2.453 40 0 IEABRO COc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000013672521 556552997 /nfs/dbraw/zinc/55/29/97/556552997.db2.gz TYZFDGDGCVGCOH-UHFFFAOYSA-N 1 0 449.573 2.275 40 0 IEABRO COc1ccc(N([C@@H](C)C(=O)NCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1Cl ZINC000013680788 556556306 /nfs/dbraw/zinc/55/63/06/556556306.db2.gz GNIUZCHEANDQSR-HNNXBMFYSA-N 1 0 431.986 2.495 40 0 IEABRO Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)O2 ZINC000038831838 556622126 /nfs/dbraw/zinc/62/21/26/556622126.db2.gz CCNLYGLPWGQTJQ-QFIPXVFZSA-N 1 0 443.569 2.434 40 0 IEABRO C[NH+]1CCN(CCCn2ccc3nc4ncnn4c(-c4ccccc4Cl)c3c2=O)CC1 ZINC000040398103 556639969 /nfs/dbraw/zinc/63/99/69/556639969.db2.gz GGZCMHNPJRHVOI-UHFFFAOYSA-N 1 0 437.935 2.397 40 0 IEABRO CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044872302 556673394 /nfs/dbraw/zinc/67/33/94/556673394.db2.gz HMYKLFUJUMRVKK-UHFFFAOYSA-N 1 0 430.574 2.455 40 0 IEABRO CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)CC1 ZINC000019017824 556692788 /nfs/dbraw/zinc/69/27/88/556692788.db2.gz KNJGTYWTWMEUDV-DHIUTWEWSA-N 1 0 437.515 2.447 40 0 IEABRO O=C(CC1CCOCC1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257217310 556703105 /nfs/dbraw/zinc/70/31/05/556703105.db2.gz CYLGNCBWQJQTNY-VDKIKQQVSA-N 1 0 430.589 2.493 40 0 IEABRO OCCCOc1ccc(C[N@@H+]2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257335326 556706315 /nfs/dbraw/zinc/70/63/15/556706315.db2.gz YJRXSLUCVRRULX-VWLOTQADSA-N 1 0 425.573 2.207 40 0 IEABRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c(C)c1 ZINC000257234832 556709655 /nfs/dbraw/zinc/70/96/55/556709655.db2.gz GVGUOVDVZJVZMF-QFIPXVFZSA-N 1 0 442.556 2.413 40 0 IEABRO Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@@]3(O)CCCN(c4cnccn4)C3)cc2)n1 ZINC000257238707 556710071 /nfs/dbraw/zinc/71/00/71/556710071.db2.gz HMDWFPINJINIPB-DEOSSOPVSA-N 1 0 436.560 2.490 40 0 IEABRO Cc1ncc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)cn1 ZINC000257276952 556714621 /nfs/dbraw/zinc/71/46/21/556714621.db2.gz NVWIUEQTMRVUED-LSQMVHIFSA-N 1 0 437.588 2.004 40 0 IEABRO Cc1cc(N2CCC[C@](O)(CNC(=O)c3cccc(OCC[NH+]4CCCC4)c3)C2)ncn1 ZINC000257286206 556715675 /nfs/dbraw/zinc/71/56/75/556715675.db2.gz PKSLPRLYSSNKDT-DEOSSOPVSA-N 1 0 439.560 2.021 40 0 IEABRO CCn1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)cn1 ZINC000257297464 556717025 /nfs/dbraw/zinc/71/70/25/556717025.db2.gz RHIDCCGBIJPGRF-WPFOTENUSA-N 1 0 426.561 2.207 40 0 IEABRO CCn1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H]([NH+]3CCOCC3)CC2)cn1 ZINC000257297463 556717076 /nfs/dbraw/zinc/71/70/76/556717076.db2.gz RHIDCCGBIJPGRF-CQOQZXRMSA-N 1 0 426.561 2.207 40 0 IEABRO Cc1nc(C[C@H]([NH2+]Cc2cnc(N3CCOCC3)nc2)c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000019285360 556727223 /nfs/dbraw/zinc/72/72/23/556727223.db2.gz JDYRQWZFLYOESU-FQEVSTJZSA-N 1 0 440.935 2.432 40 0 IEABRO Cn1cc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](Cc3cccs3)CC4)C2)cn1 ZINC000019290556 556730863 /nfs/dbraw/zinc/73/08/63/556730863.db2.gz CDOZCUZXZYEDDO-HNNXBMFYSA-N 1 0 438.557 2.143 40 0 IEABRO O=C(CN1CCC([NH+]2CCCCC2)CC1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292005 556731802 /nfs/dbraw/zinc/73/18/02/556731802.db2.gz MNFMIBXRPRYBPM-FQEVSTJZSA-N 1 0 441.620 2.236 40 0 IEABRO O=C(c1cccc(F)c1)N1CCc2nc(C3CC[NH+](C4CCOCC4)CC3)[nH]c(=O)c2C1 ZINC000019293589 556733106 /nfs/dbraw/zinc/73/31/06/556733106.db2.gz WQYVGWCZEZSOSA-UHFFFAOYSA-N 1 0 440.519 2.466 40 0 IEABRO O=C(CCCN1C(=O)CNC1=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000019332747 556737548 /nfs/dbraw/zinc/73/75/48/556737548.db2.gz ZAPMSXDWJWTBKY-UHFFFAOYSA-N 1 0 432.952 2.284 40 0 IEABRO O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019333289 556737856 /nfs/dbraw/zinc/73/78/56/556737856.db2.gz NSZQWTOTGHZPIB-NRFANRHFSA-N 1 0 440.519 2.352 40 0 IEABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CC[N@H+](CC4=CCCOC4)C3)nc2C1 ZINC000019347680 556743537 /nfs/dbraw/zinc/74/35/37/556743537.db2.gz XYKWUNJHFCVJNO-QGZVFWFLSA-N 1 0 438.503 2.244 40 0 IEABRO O=C(NCCN1CCCC1=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372560 556749110 /nfs/dbraw/zinc/74/91/10/556749110.db2.gz XRKXHHVLBGZUAD-FGZHOGPDSA-N 1 0 437.515 2.495 40 0 IEABRO COc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)cc1OC(C)C ZINC000019450497 556761435 /nfs/dbraw/zinc/76/14/35/556761435.db2.gz SIJJJVNXCPINPE-UHFFFAOYSA-N 1 0 428.533 2.415 40 0 IEABRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 ZINC000019456314 556765923 /nfs/dbraw/zinc/76/59/23/556765923.db2.gz TUZGCIFEZJPUCT-MRXNPFEDSA-N 1 0 426.546 2.153 40 0 IEABRO CC1CCC([N@@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(S(=O)(=O)N(C)C)CC4)C2)CC1 ZINC000019495948 556768426 /nfs/dbraw/zinc/76/84/26/556768426.db2.gz QDZJYYKEFVCNAI-AQFXKWCLSA-N 1 0 437.610 2.105 40 0 IEABRO C[C@H]1Cc2cc([C@H](O)C[NH+]3CCC(NC(=O)C4CCCC4)CC3)ccc2N1S(C)(=O)=O ZINC000019497862 556770329 /nfs/dbraw/zinc/77/03/29/556770329.db2.gz HLSNKMNTXWKVML-KSFYIVLOSA-N 1 0 449.617 2.201 40 0 IEABRO CC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)CC1 ZINC000019499915 556771770 /nfs/dbraw/zinc/77/17/70/556771770.db2.gz PUJXXFUBRSZFKN-HTAPYJJXSA-N 1 0 436.560 2.315 40 0 IEABRO CCS(=O)(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000019520325 556776453 /nfs/dbraw/zinc/77/64/53/556776453.db2.gz XMHLNJDISGDNPT-LJQANCHMSA-N 1 0 432.546 2.236 40 0 IEABRO CCOc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)ccc1OCC(N)=O ZINC000019532219 556792622 /nfs/dbraw/zinc/79/26/22/556792622.db2.gz HOONNJBKEWILRF-VGSWGCGISA-N 1 0 433.455 2.337 40 0 IEABRO COc1ccc(C[N@@H+]2C[C@@H](c3c(F)cccc3F)[C@]3(C2)COCCC(=O)N3)cc1CO ZINC000019559379 556801202 /nfs/dbraw/zinc/80/12/02/556801202.db2.gz HGXSWPJZFBNKJZ-SBUREZEXSA-N 1 0 432.467 2.340 40 0 IEABRO COc1cccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1 ZINC000019565848 556806468 /nfs/dbraw/zinc/80/64/68/556806468.db2.gz JVQFICZIFGLIRQ-HSZRJFAPSA-N 1 0 445.585 2.263 40 0 IEABRO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)c4cnccn4)C3)[nH]c(=O)c2C1 ZINC000019570621 556810646 /nfs/dbraw/zinc/81/06/46/556810646.db2.gz FLSNWPOTSBHWSV-QGZVFWFLSA-N 1 0 446.511 2.169 40 0 IEABRO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccc(F)cc4)CC3)ccc21 ZINC000019572479 556812773 /nfs/dbraw/zinc/81/27/73/556812773.db2.gz MIVGALWOKYZOBV-QFIPXVFZSA-N 1 0 433.549 2.394 40 0 IEABRO COc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@]3(C2)CCc2ccccc2C(=O)N3)cc1OC ZINC000019583346 556820697 /nfs/dbraw/zinc/82/06/97/556820697.db2.gz DXINMXSOXPKSLD-KBMIEXCESA-N 1 0 437.540 2.452 40 0 IEABRO CN(C[C@H](O)c1ccccc1)C(=O)C[NH+]1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 ZINC000019585964 556822795 /nfs/dbraw/zinc/82/27/95/556822795.db2.gz OEJWNQLSOYRQPE-QFIPXVFZSA-N 1 0 438.572 2.341 40 0 IEABRO CN(Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)o1)S(C)(=O)=O ZINC000019586441 556823071 /nfs/dbraw/zinc/82/30/71/556823071.db2.gz RRTYSNNWRKHEOM-MJGOQNOKSA-N 1 0 427.473 2.059 40 0 IEABRO CN1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](CC2CCCCC2)C3)CC1=O ZINC000019587271 556823577 /nfs/dbraw/zinc/82/35/77/556823577.db2.gz WOVMGSVSPMTJJD-FXAWDEMLSA-N 1 0 441.576 2.262 40 0 IEABRO COCCOc1cc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)ccc1OC ZINC000019593625 556829733 /nfs/dbraw/zinc/82/97/33/556829733.db2.gz XYOWDHNOCMIRDM-UHFFFAOYSA-N 1 0 428.533 2.005 40 0 IEABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 ZINC000019694670 556850723 /nfs/dbraw/zinc/85/07/23/556850723.db2.gz YRTULNVDJDSGKZ-IBGZPJMESA-N 1 0 438.576 2.356 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cc3csc(C)n3)CC1)C2=O ZINC000019700694 556860187 /nfs/dbraw/zinc/86/01/87/556860187.db2.gz AMZZEMSNOGJBJM-UHFFFAOYSA-N 1 0 447.605 2.029 40 0 IEABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(C(=O)CCCS(=O)(=O)c1ccccc1)C2 ZINC000019707480 556867501 /nfs/dbraw/zinc/86/75/01/556867501.db2.gz MBYQCXCZDLYZTD-GOSISDBHSA-N 1 0 443.573 2.082 40 0 IEABRO CNc1nc([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019708494 556869331 /nfs/dbraw/zinc/86/93/31/556869331.db2.gz LZAAHOHHXOLDIC-HXUWFJFHSA-N 1 0 428.581 2.208 40 0 IEABRO CC[NH+]1CCC(CC(=O)N2CCC[C@@H](c3nc4c(c(NC)n3)CN(C(C)=O)CC4)C2)CC1 ZINC000019710518 556873747 /nfs/dbraw/zinc/87/37/47/556873747.db2.gz WNQLLABODDRYCA-LJQANCHMSA-N 1 0 442.608 2.251 40 0 IEABRO CC[C@@H](C(=O)N1CCC(c2nc3c(c(NC)n2)CCN(C(C)=O)C3)CC1)[NH+]1CCCC1 ZINC000019710958 556875090 /nfs/dbraw/zinc/87/50/90/556875090.db2.gz LEUAEDMUZSMBGD-FQEVSTJZSA-N 1 0 428.581 2.003 40 0 IEABRO Cc1nn(C)c2nc(C3CCN(C(=O)C[C@H]4C(=O)NCC[N@@H+]4C4CCCC4)CC3)ccc12 ZINC000019744622 556891059 /nfs/dbraw/zinc/89/10/59/556891059.db2.gz XSIOMPKXQLFPAJ-NRFANRHFSA-N 1 0 438.576 2.116 40 0 IEABRO O=C(Cn1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)ccc1=O)NCc1ccc(F)cc1 ZINC000019750806 556894790 /nfs/dbraw/zinc/89/47/90/556894790.db2.gz FPZXAYGYHVCASI-UHFFFAOYSA-N 1 0 440.519 2.004 40 0 IEABRO COc1cccc(CNC(=O)c2cnc([C@H]3CCCCN3C(=O)C[NH+](C)C)nc2C)c1 ZINC000019753998 556897476 /nfs/dbraw/zinc/89/74/76/556897476.db2.gz KQUNSUFJZRPLSD-HXUWFJFHSA-N 1 0 425.533 2.339 40 0 IEABRO COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000019757125 556901367 /nfs/dbraw/zinc/90/13/67/556901367.db2.gz BSVKLXRLLBZTLE-UHFFFAOYSA-N 1 0 425.533 2.389 40 0 IEABRO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@]3(CC(=O)c4ccccc4O3)CCC2=O)CC1 ZINC000072327561 556904257 /nfs/dbraw/zinc/90/42/57/556904257.db2.gz OFCXHOIIUXLJJG-XMMPIXPASA-N 1 0 427.545 2.392 40 0 IEABRO O=C(NCCO)c1cc([C@H]2CC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)nc2ccccc21 ZINC000019762705 556907463 /nfs/dbraw/zinc/90/74/63/556907463.db2.gz BABCVWUOFOBKJX-SFHVURJKSA-N 1 0 446.555 2.337 40 0 IEABRO CCCNC(=O)CN1c2ccccc2C(=O)N[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000072341884 556914339 /nfs/dbraw/zinc/91/43/39/556914339.db2.gz WRDMBXWXWAUMCI-CPJSRVTESA-N 1 0 434.540 2.180 40 0 IEABRO CN(C)c1ncccc1C[NH+]1CCC(c2nnc([C@H]3CCCCN3S(C)(=O)=O)o2)CC1 ZINC000072344926 556916116 /nfs/dbraw/zinc/91/61/16/556916116.db2.gz GHHQLNWQIZVINH-GOSISDBHSA-N 1 0 448.593 2.397 40 0 IEABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)c1 ZINC000072346137 556917466 /nfs/dbraw/zinc/91/74/66/556917466.db2.gz MJTZVCWNDQYDDH-IBGZPJMESA-N 1 0 436.560 2.407 40 0 IEABRO COC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000019818041 556920484 /nfs/dbraw/zinc/92/04/84/556920484.db2.gz LNZNCYCIMHBZSR-RBUKOAKNSA-N 1 0 426.904 2.478 40 0 IEABRO Cc1cccnc1Nc1cccc([C@H]2CCC[N@H+](CC(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000072376022 556953856 /nfs/dbraw/zinc/95/38/56/556953856.db2.gz OBMDANWUYMDBES-IBGZPJMESA-N 1 0 436.560 2.432 40 0 IEABRO C[C@H](NC(=O)COc1ccccc1F)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000072394920 556966215 /nfs/dbraw/zinc/96/62/15/556966215.db2.gz XVGAMVDAZYBJSP-WMZOPIPTSA-N 1 0 429.492 2.061 40 0 IEABRO Cc1cccnc1C[NH+]1CCC(c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccnc2)CC3)CC1 ZINC000072399012 556971222 /nfs/dbraw/zinc/97/12/22/556971222.db2.gz ORRLVFLZWGQAHW-UHFFFAOYSA-N 1 0 444.539 2.446 40 0 IEABRO Cc1ccc(C)c(N(CC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)S(=O)(=O)N(C)C)c1 ZINC000020244339 557002322 /nfs/dbraw/zinc/00/23/22/557002322.db2.gz BJRKTSNAYRVUKC-KDURUIRLSA-N 1 0 438.638 2.400 40 0 IEABRO C[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)Cc2ccc(N(C)C)cc2)CC3)C[C@H]1O ZINC000585102996 557036790 /nfs/dbraw/zinc/03/67/90/557036790.db2.gz AXNUXDVZSSKJNJ-UEVCKROQSA-N 1 0 429.605 2.396 40 0 IEABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103138 557037072 /nfs/dbraw/zinc/03/70/72/557037072.db2.gz DNERTBHOYFIEJY-VOQZNFBZSA-N 1 0 432.561 2.418 40 0 IEABRO O=C(c1ccc2c(c1)CCO2)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000585106276 557039473 /nfs/dbraw/zinc/03/94/73/557039473.db2.gz LSTXDDAMUPCJJE-YADHBBJMSA-N 1 0 431.536 2.474 40 0 IEABRO C[NH+](C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O ZINC000585107021 557041377 /nfs/dbraw/zinc/04/13/77/557041377.db2.gz OJZIKLNMDMVCCO-RDGATRHJSA-N 1 0 439.531 2.153 40 0 IEABRO COc1ccc2cc(CN(CCC[NH+](C)C)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 ZINC000006198480 557150023 /nfs/dbraw/zinc/15/00/23/557150023.db2.gz PHJAHXNKAQJHDM-LJQANCHMSA-N 1 0 432.590 2.344 40 0 IEABRO CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](Cc2ccc(C)s2)CC3)C1=O ZINC000096036537 557163377 /nfs/dbraw/zinc/16/33/77/557163377.db2.gz ZJXYCEPOCFJPOP-HXUWFJFHSA-N 1 0 425.620 2.153 40 0 IEABRO COCCN1CC2(CC[NH+](Cc3ccncc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037179 557164461 /nfs/dbraw/zinc/16/44/61/557164461.db2.gz RIMUSIOEUHLKOB-UHFFFAOYSA-N 1 0 431.558 2.394 40 0 IEABRO CN(C)C(=O)[C@@]12C[N@H+](Cc3cnn(C)c3)C[C@@H]1CN(C(=O)c1ccccc1F)CCC2 ZINC000096083066 557168503 /nfs/dbraw/zinc/16/85/03/557168503.db2.gz TYVLEAWEROVGPB-JPYJTQIMSA-N 1 0 427.524 2.002 40 0 IEABRO COc1cccc(CC(=O)N2CCC3(CC2)[C@@H]2C[N@H+](Cc4cccnc4)C[C@@H]2C(=O)N3C)c1 ZINC000096143577 557170482 /nfs/dbraw/zinc/17/04/82/557170482.db2.gz HTFOQYKQVUERPM-XZOQPEGZSA-N 1 0 448.567 2.214 40 0 IEABRO C[NH+](C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4cccs4)cn32)CC1 ZINC000096156010 557180799 /nfs/dbraw/zinc/18/07/99/557180799.db2.gz XQUWPYSLZWWGJK-UHFFFAOYSA-N 1 0 439.585 2.184 40 0 IEABRO COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCC(OC)CC2)c1 ZINC000585262406 557201856 /nfs/dbraw/zinc/20/18/56/557201856.db2.gz PTIDFOJRNFBMND-LWSSLDFYSA-N 1 0 440.540 2.485 40 0 IEABRO COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCC(OC)CC2)cc1 ZINC000585262377 557201879 /nfs/dbraw/zinc/20/18/79/557201879.db2.gz CLBYKPLDQWCKED-LWSSLDFYSA-N 1 0 440.540 2.485 40 0 IEABRO O=C(COc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1)N1CCOCC1 ZINC000585270458 557214201 /nfs/dbraw/zinc/21/42/01/557214201.db2.gz KOCAAVLNODWLTI-VWLOTQADSA-N 1 0 440.540 2.330 40 0 IEABRO CC(=O)NCCCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(C)c3)C2)cc1 ZINC000585281791 557220172 /nfs/dbraw/zinc/22/01/72/557220172.db2.gz RPAWLPBXYYXOES-DQEYMECFSA-N 1 0 442.556 2.277 40 0 IEABRO CC1CC[NH+](CCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 ZINC000010540975 557222515 /nfs/dbraw/zinc/22/25/15/557222515.db2.gz DVDRKKQMLLOVPM-UHFFFAOYSA-N 1 0 443.997 2.213 40 0 IEABRO OC1(C[N@@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)CCN(c2ccc(F)cc2)CC1 ZINC000585283579 557223175 /nfs/dbraw/zinc/22/31/75/557223175.db2.gz RZUPDAGUYMURHM-DEOSSOPVSA-N 1 0 448.510 2.438 40 0 IEABRO COc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)c(OC)c1 ZINC000585284475 557224200 /nfs/dbraw/zinc/22/42/00/557224200.db2.gz LGTQBBUXRLJAGR-UNMCSNQZSA-N 1 0 434.920 2.085 40 0 IEABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)C1 ZINC000585290996 557228326 /nfs/dbraw/zinc/22/83/26/557228326.db2.gz YUSNFWWWZCTJBN-GGAORHGYSA-N 1 0 448.560 2.024 40 0 IEABRO Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000022822214 557271113 /nfs/dbraw/zinc/27/11/13/557271113.db2.gz OXUMXEKHHGLALM-UHFFFAOYSA-N 1 0 430.574 2.163 40 0 IEABRO COc1ccc(N2C(=O)C[C@@H](N3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)C2=O)cc1 ZINC000102405573 557301554 /nfs/dbraw/zinc/30/15/54/557301554.db2.gz WTNIDTAHQKVOAE-LJQANCHMSA-N 1 0 432.484 2.387 40 0 IEABRO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000013563294 557353380 /nfs/dbraw/zinc/35/33/80/557353380.db2.gz WNOASQIZPBKPTP-UHFFFAOYSA-N 1 0 446.013 2.453 40 0 IEABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc3ccc(OC)cc3[nH]c2=O)CC1 ZINC000019499625 557499700 /nfs/dbraw/zinc/49/97/00/557499700.db2.gz OVNQNZGFCXBLLE-FQEVSTJZSA-N 1 0 439.564 2.395 40 0 IEABRO COc1cccc(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)c1 ZINC000224599079 557629563 /nfs/dbraw/zinc/62/95/63/557629563.db2.gz XLHRRPNQMXSZFD-UHFFFAOYSA-N 1 0 431.558 2.373 40 0 IEABRO COc1ccc(N(CCCC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)S(C)(=O)=O)cc1 ZINC000224656737 557636887 /nfs/dbraw/zinc/63/68/87/557636887.db2.gz FASCYRPZFCBSLL-GOSISDBHSA-N 1 0 425.595 2.480 40 0 IEABRO COc1cccc(N(CCCC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)c1 ZINC000225764781 557774292 /nfs/dbraw/zinc/77/42/92/557774292.db2.gz ZAXBGUGJOSMRED-UHFFFAOYSA-N 1 0 425.595 2.480 40 0 IEABRO O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccco1 ZINC000012602564 560091154 /nfs/dbraw/zinc/09/11/54/560091154.db2.gz USGVVKAVNFJEGK-JRSUCEMESA-N 1 0 436.556 2.001 40 0 biogenic,in-vitro IEABRO CN1C(=O)CCC[C@]12C[N@H+](Cc1ccnc(N3CCOCC3)n1)C[C@H]2c1ccc(F)cc1 ZINC000257203377 568666762 /nfs/dbraw/zinc/66/67/62/568666762.db2.gz APSUBVMXBHVWLG-XUZZJYLKSA-N 1 0 439.535 2.433 40 0 IEABRO Cc1cccc(NC(=O)CCCC(=O)N2[C@H](C(N)=O)C[C@@H]([NH+](C)C)[C@@H]2c2ccccc2)n1 ZINC000257217444 568673221 /nfs/dbraw/zinc/67/32/21/568673221.db2.gz CYYVJIHCUTWDSR-MSYCTHLASA-N 1 0 437.544 2.257 40 0 IEABRO Cc1nc(N)cc(C2(C)CCN(C(=O)[C@]3(Cc4ccc(F)cc4)CN(C)CCO3)CC2)n1 ZINC000257222028 568675160 /nfs/dbraw/zinc/67/51/60/568675160.db2.gz DRPGVSUPYKWNSX-DEOSSOPVSA-N 1 0 441.551 2.330 40 0 IEABRO Cc1nc(N)cc(C2(C)CCN(C(=O)[C@@]3(Cc4ccc(F)cc4)CN(C)CCO3)CC2)n1 ZINC000257222029 568675192 /nfs/dbraw/zinc/67/51/92/568675192.db2.gz DRPGVSUPYKWNSX-XMMPIXPASA-N 1 0 441.551 2.330 40 0 IEABRO COC1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2cccnc2C)CC1 ZINC000257223343 568675572 /nfs/dbraw/zinc/67/55/72/568675572.db2.gz DWXQZFBDGRHREU-LUKWVAJMSA-N 1 0 425.529 2.180 40 0 IEABRO CN(CC1CC[NH+](C)CC1)C(=O)c1c(O)ccc2c1O[C@@H]1C[C@H]3C[C@H](C3(C)C)[C@]1(O)[C@H]2O ZINC000257231586 568679774 /nfs/dbraw/zinc/67/97/74/568679774.db2.gz GHJJUNOUMIRJLJ-UQJUYAFZSA-N 1 0 444.572 2.398 40 0 IEABRO CN(C[C@@]1(O)CCN(c2ccnc3cccnc32)C1)C(=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000257256579 568691598 /nfs/dbraw/zinc/69/15/98/568691598.db2.gz KMBHBHFUSGDMON-VWLOTQADSA-N 1 0 449.555 2.284 40 0 IEABRO COCC(=O)N1CCC(C)(C(=O)N2C[C@H](c3ccc(F)cc3F)[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC000257264704 568695297 /nfs/dbraw/zinc/69/52/97/568695297.db2.gz LVSLREREANKFNV-QWFCFKBJSA-N 1 0 435.515 2.144 40 0 IEABRO C[NH+](C)CCOc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)cc1 ZINC000257285901 568704735 /nfs/dbraw/zinc/70/47/35/568704735.db2.gz PJJJYWDXAADXJX-QFIPXVFZSA-N 1 0 448.527 2.275 40 0 IEABRO CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc(O)c2C(=O)NCCNc2ccccn2)[C@@H]1O ZINC000257287396 568705645 /nfs/dbraw/zinc/70/56/45/568705645.db2.gz PPUGYKOSLMNNME-IKEZHLFISA-N 1 0 439.512 2.221 40 0 IEABRO C[NH2+]CCOc1cccc(C(=O)N(C)C[C@]2(O)CCN(c3ccnc4ccc(C)nc43)C2)c1 ZINC000257288660 568706367 /nfs/dbraw/zinc/70/63/67/568706367.db2.gz PVCIONMFFRHCFO-RUZDIDTESA-N 1 0 449.555 2.250 40 0 IEABRO O=C1CCCC[C@]2(C[N@@H+](Cc3ccnc(N4CCOCC4)n3)C[C@H]2c2ccc(F)cc2)N1 ZINC000257290776 568706928 /nfs/dbraw/zinc/70/69/28/568706928.db2.gz QEHINFHVOXHQCU-XUZZJYLKSA-N 1 0 439.535 2.481 40 0 IEABRO O=C1CCCC[C@]2(C[N@@H+](Cc3ccnc(N4CCOCC4)n3)C[C@H]2c2cccc(F)c2)N1 ZINC000257303137 568712819 /nfs/dbraw/zinc/71/28/19/568712819.db2.gz SFYDIQDSDYSUSH-XUZZJYLKSA-N 1 0 439.535 2.481 40 0 IEABRO Cc1cnc(C[N@@H+]2CCC[C@@]3(C2)C/C=C/COc2ccccc2C(=O)NCCNC3=O)cn1 ZINC000257311240 568715927 /nfs/dbraw/zinc/71/59/27/568715927.db2.gz UIQBNZNIXBZDAD-YQRKEEQESA-N 1 0 449.555 2.252 40 0 IEABRO Cc1cc(N2CC[C@](O)(CNC(=O)c3ccc(OCC[NH+]4CCCCC4)cc3)C2)ncn1 ZINC000257312773 568716870 /nfs/dbraw/zinc/71/68/70/568716870.db2.gz UPLKKOJBLMUNJP-DEOSSOPVSA-N 1 0 439.560 2.021 40 0 IEABRO CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000257327522 568723473 /nfs/dbraw/zinc/72/34/73/568723473.db2.gz XBRCTRNEFKOPDL-XMMPIXPASA-N 1 0 439.560 2.055 40 0 IEABRO Cc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(OCC[NH3+])cc3)C2)c2cnccc2n1 ZINC000257335131 568726516 /nfs/dbraw/zinc/72/65/16/568726516.db2.gz YIUMZZMNTAMVQY-XMMPIXPASA-N 1 0 435.528 2.037 40 0 IEABRO CN(C[C@@]1(O)CCCN(c2ccnc3cccnc32)C1)C(=O)c1ccc(OCCC[NH3+])cc1 ZINC000257340271 568728783 /nfs/dbraw/zinc/72/87/83/568728783.db2.gz ZFHDRMZXVKZHTA-VWLOTQADSA-N 1 0 449.555 2.461 40 0 IEABRO O=c1c2c(nc3n1CC1(C3)CC[NH+](Cc3ccsc3)CC1)CCN(c1ncccn1)C2 ZINC000306124346 568763185 /nfs/dbraw/zinc/76/31/85/568763185.db2.gz BNFNWBJVVIYDTO-UHFFFAOYSA-N 1 0 434.569 2.496 40 0 IEABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccnc3OC)CC1)COC2 ZINC000306125485 568763663 /nfs/dbraw/zinc/76/36/63/568763663.db2.gz CSGUCSLYQBCWMX-INIZCTEOSA-N 1 0 428.537 2.023 40 0 IEABRO CC(C)N1CC[N@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCC3CCOCC3)cn21 ZINC000306129042 568765371 /nfs/dbraw/zinc/76/53/71/568765371.db2.gz HSHDQEPGSKUZHL-NRFANRHFSA-N 1 0 440.592 2.363 40 0 IEABRO COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)NC4CC4)CC[C@H]3[N@@H+]2CC2CC2)cc1 ZINC000306128997 568765487 /nfs/dbraw/zinc/76/54/87/568765487.db2.gz HQWJXWTVGAQMKF-BWAGFHJFSA-N 1 0 426.561 2.358 40 0 IEABRO CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)C[N@H+](Cc3cccs3)CC2)C1 ZINC000306132124 568767036 /nfs/dbraw/zinc/76/70/36/568767036.db2.gz KZJVKKJMXIGRBH-QFIPXVFZSA-N 1 0 427.574 2.328 40 0 IEABRO CC(C)N1CC[N@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NC[C@H]3CCCO3)cn21 ZINC000306134622 568768500 /nfs/dbraw/zinc/76/85/00/568768500.db2.gz NTSGFGPJYWKMJG-UXHICEINSA-N 1 0 426.565 2.115 40 0 IEABRO Cc1ncsc1C[N@@H+]1CC[C@@H]2C(N3CCN(C(=O)c4ccccc4)CC3)=NO[C@@H]2C1 ZINC000306140441 568771629 /nfs/dbraw/zinc/77/16/29/568771629.db2.gz UTUGCDBRRGZVBK-RBUKOAKNSA-N 1 0 425.558 2.444 40 0 IEABRO Cc1ncsc1C[N@@H+]1CC[C@@H]2C(N3CCN(C(=O)c4ccccc4)CC3)=NO[C@H]2C1 ZINC000306140440 568771816 /nfs/dbraw/zinc/77/18/16/568771816.db2.gz UTUGCDBRRGZVBK-OALUTQOASA-N 1 0 425.558 2.444 40 0 IEABRO O=c1c2c(nc3n1CC1(C3)CC[NH+](Cc3cccnc3)CC1)CCN(Cc1cccnc1)C2 ZINC000306140842 568772024 /nfs/dbraw/zinc/77/20/24/568772024.db2.gz VFDYXTLBSKYBAL-UHFFFAOYSA-N 1 0 442.567 2.430 40 0 IEABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306141622 568772103 /nfs/dbraw/zinc/77/21/03/568772103.db2.gz WCEGGZIDLLWJSN-OALUTQOASA-N 1 0 431.496 2.241 40 0 IEABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306141621 568772231 /nfs/dbraw/zinc/77/22/31/568772231.db2.gz WCEGGZIDLLWJSN-MOPGFXCFSA-N 1 0 431.496 2.241 40 0 IEABRO C[NH+](C)CCNc1nc(NC[C@@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329010733 568809320 /nfs/dbraw/zinc/80/93/20/568809320.db2.gz MAVJADRHLFHDDL-INIZCTEOSA-N 1 0 425.455 2.450 40 0 IEABRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000101509270 568844829 /nfs/dbraw/zinc/84/48/29/568844829.db2.gz NSJGEXWTVXFQHP-OTWHNJEPSA-N 1 0 437.606 2.380 40 0 IEABRO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224322054 568918508 /nfs/dbraw/zinc/91/85/08/568918508.db2.gz MVDXXCBNQGYGRO-UHFFFAOYSA-N 1 0 432.912 2.329 40 0 IEABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)n1 ZINC000019694740 569229242 /nfs/dbraw/zinc/22/92/42/569229242.db2.gz MQKKTYYZNJEHRD-IBGZPJMESA-N 1 0 436.560 2.110 40 0 IEABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)n1 ZINC000019694739 569229315 /nfs/dbraw/zinc/22/93/15/569229315.db2.gz MQKKTYYZNJEHRD-LJQANCHMSA-N 1 0 436.560 2.110 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3C)CC1)C2=O ZINC000019699302 569230372 /nfs/dbraw/zinc/23/03/72/569230372.db2.gz OTLLDADRGJLETH-UHFFFAOYSA-N 1 0 426.561 2.325 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CCc3ccccc3)CC1)C2=O ZINC000019699345 569230425 /nfs/dbraw/zinc/23/04/25/569230425.db2.gz PKHGBWCWJNROHA-UHFFFAOYSA-N 1 0 426.561 2.407 40 0 IEABRO C[C@@H]1C[C@H]1C(=O)N1CCC(N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699330 569230460 /nfs/dbraw/zinc/23/04/60/569230460.db2.gz ZTPILHZUZBFEJL-WIYYLYMNSA-N 1 0 438.572 2.263 40 0 IEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O ZINC000019699782 569230705 /nfs/dbraw/zinc/23/07/05/569230705.db2.gz BSQFOGHCGQUGLE-HXUWFJFHSA-N 1 0 426.561 2.263 40 0 IEABRO COc1cccc(C(=O)N2CCC[C@@H](N3C(=O)NC4(CC[NH+](CC(C)C)CC4)C3=O)C2)c1 ZINC000019699766 569230734 /nfs/dbraw/zinc/23/07/34/569230734.db2.gz MKRHQJMWBCGRCT-LJQANCHMSA-N 1 0 442.560 2.342 40 0 IEABRO CC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCc3ccccc3F)C1)C2=O ZINC000019699826 569230898 /nfs/dbraw/zinc/23/08/98/569230898.db2.gz YLEZBLUNJWFVPA-GOSISDBHSA-N 1 0 430.524 2.156 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCc3ccccc3)C1)C2=O ZINC000019700033 569231028 /nfs/dbraw/zinc/23/10/28/569231028.db2.gz DMUPZVTTZRLUJW-HXUWFJFHSA-N 1 0 426.561 2.407 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3ccccc3OC)CC1)C2=O ZINC000019700714 569231276 /nfs/dbraw/zinc/23/12/76/569231276.db2.gz SGUFGYUNGOYEGW-UHFFFAOYSA-N 1 0 442.560 2.344 40 0 IEABRO Nc1ncnc2nc([C@H]3CN(C(=O)C[NH+]4CCC(c5ccccc5)CC4)CCO3)ccc12 ZINC000019704818 569233572 /nfs/dbraw/zinc/23/35/72/569233572.db2.gz MPTQRVKTXBSDAD-OAQYLSRUSA-N 1 0 432.528 2.387 40 0 IEABRO CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000019709939 569234925 /nfs/dbraw/zinc/23/49/25/569234925.db2.gz MNBMOKPLXYSCAQ-SFHVURJKSA-N 1 0 444.561 2.038 40 0 IEABRO CS(=O)(=O)N1C[C@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)Oc2ccccc21 ZINC000038831817 569248889 /nfs/dbraw/zinc/24/88/89/569248889.db2.gz IQMSCCMCIKMKMK-OAQYLSRUSA-N 1 0 429.542 2.126 40 0 IEABRO C[N@H+](CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccs1 ZINC000067870725 291332768 /nfs/dbraw/zinc/33/27/68/291332768.db2.gz MOPCRIUPXFIAMN-CMKODMSKSA-N 1 0 434.631 2.306 40 0 biogenic,in-vitro IEABRO COc1ccccc1CNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008299846 291336468 /nfs/dbraw/zinc/33/64/68/291336468.db2.gz BRWNLAZCMASSRZ-SXLOBPIMSA-N 1 0 439.560 2.075 40 0 biogenic,in-vitro IEABRO Cn1nc(-c2ccc(F)cc2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)N1CCOCC1 ZINC000012602094 291337319 /nfs/dbraw/zinc/33/73/19/291337319.db2.gz RYNAMFLNIVKKOC-SXLOBPIMSA-N 1 0 427.524 2.446 40 0 biogenic,in-vitro IEABRO OCC1CCC([NH2+]C2(Cc3cc(CN4CCN(c5ccccc5)CC4)on3)COC2)CC1 ZINC000067898461 291339411 /nfs/dbraw/zinc/33/94/11/291339411.db2.gz QJPDJZLYYUVIMK-UHFFFAOYSA-N 1 0 440.588 2.449 40 0 biogenic,in-vitro IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020674818 521093224 /nfs/dbraw/zinc/09/32/24/521093224.db2.gz YCFYSUODLCAMTQ-VQTJNVASSA-N 1 0 442.466 2.493 40 0 IEABRO CC[NH+]1CCN(c2ncc(-c3ccnc(N4CCOCC4)n3)c(-c3ccoc3C)n2)CC1 ZINC000012275122 521702024 /nfs/dbraw/zinc/70/20/24/521702024.db2.gz AYYRKHQLDHCAMG-UHFFFAOYSA-N 1 0 435.532 2.481 40 0 IEABRO C[N@H+](CCc1ccccc1)[C@H]1[C@@H](CNC(=O)Nc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465808 522955402 /nfs/dbraw/zinc/95/54/02/522955402.db2.gz SVIIZVGSJPNSBN-IVAOSVALSA-N 1 0 433.936 2.125 40 0 biogenic,in-vitro IEABRO Cc1ccc(OCCC[N@H+]2C[C@H](C(=O)N(C)C)[C@@]3(C2)COc2ccccc2C(=O)N3)cc1 ZINC000012124394 525411378 /nfs/dbraw/zinc/41/13/78/525411378.db2.gz UORPZFVNZGSGRK-PXDATVDWSA-N 1 0 437.540 2.345 40 0 IEABRO COc1ccc2c(c1)C(=O)N[C@]1(C[N@H+](Cc3ccccc3OC)C[C@@H]1C(=O)N(C)C)CC2 ZINC000012124679 525508913 /nfs/dbraw/zinc/50/89/13/525508913.db2.gz VWNXDDHYGDHXMX-BWKNWUBXSA-N 1 0 437.540 2.339 40 0 IEABRO O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCSCC1)c1ccc(Cl)cc1 ZINC000020503871 527228408 /nfs/dbraw/zinc/22/84/08/527228408.db2.gz XUUZXHCGSVBPGE-XYJFISCASA-N 1 0 430.039 2.378 40 0 biogenic,in-vitro IEABRO O=C(NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000022518991 527661039 /nfs/dbraw/zinc/66/10/39/527661039.db2.gz PWMQSOUNDIDWIW-UHFFFAOYSA-N 1 0 427.998 2.484 40 0 IEABRO CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)OC(C)(C)C ZINC000005519450 556057875 /nfs/dbraw/zinc/05/78/75/556057875.db2.gz PPOBHQUEJKYAOG-UFYCRDLUSA-N 1 0 431.577 2.339 40 0 IEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)c1ccccc1Br ZINC000010278102 556329042 /nfs/dbraw/zinc/32/90/42/556329042.db2.gz QFOMBMSHIRDFCB-UHFFFAOYSA-N 1 0 432.384 2.207 40 0 IEABRO Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)on1 ZINC000012184485 556402778 /nfs/dbraw/zinc/40/27/78/556402778.db2.gz OXPJPMSMERSAOG-KRWDZBQOSA-N 1 0 449.563 2.256 40 0 IEABRO C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000015276040 556514261 /nfs/dbraw/zinc/51/42/61/556514261.db2.gz MECHLOOAVALOHP-DEBBHNNCSA-N 1 0 440.297 2.390 40 0 IEABRO CC1CC[NH+](CCCNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)CC1 ZINC000013671024 556552108 /nfs/dbraw/zinc/55/21/08/556552108.db2.gz BUAHWQUZWRQPRG-UHFFFAOYSA-N 1 0 446.411 2.453 40 0 IEABRO CCOc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1 ZINC000013671909 556552591 /nfs/dbraw/zinc/55/25/91/556552591.db2.gz YKMJYWQRDFTHST-GOSISDBHSA-N 1 0 425.595 2.478 40 0 IEABRO Cc1cc(-c2cnc(N3CCOCC3)nc2C2CC[NH+](CC3=COCCO3)CC2)on1 ZINC000019123190 556702109 /nfs/dbraw/zinc/70/21/09/556702109.db2.gz ZGVMVTHJFFKTHZ-UHFFFAOYSA-N 1 0 427.505 2.344 40 0 IEABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C1)N2 ZINC000019127244 556703544 /nfs/dbraw/zinc/70/35/44/556703544.db2.gz YTRXWUABUZDPQG-LAVFITLUSA-N 1 0 425.524 2.389 40 0 IEABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccccc2CN2CCOCC2)C1 ZINC000257232257 556709323 /nfs/dbraw/zinc/70/93/23/556709323.db2.gz GJZUULNNCLKBDR-VWLOTQADSA-N 1 0 441.547 2.367 40 0 IEABRO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c(C)c1 ZINC000257234831 556709616 /nfs/dbraw/zinc/70/96/16/556709616.db2.gz GVGUOVDVZJVZMF-JOCHJYFZSA-N 1 0 442.556 2.413 40 0 IEABRO CCc1nnsc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257244634 556710625 /nfs/dbraw/zinc/71/06/25/556710625.db2.gz IMECNQKMODEDCA-TXTKFYIRSA-N 1 0 444.601 2.404 40 0 IEABRO Cc1cc(N2CCC[C@@](O)(CNC(=O)c3cccc(OCC[NH+]4CCCC4)c3)C2)ncn1 ZINC000257286207 556715724 /nfs/dbraw/zinc/71/57/24/556715724.db2.gz PKSLPRLYSSNKDT-XMMPIXPASA-N 1 0 439.560 2.021 40 0 IEABRO Cc1ccn(CCC(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCCC3)C4)C2)n1 ZINC000019238042 556722927 /nfs/dbraw/zinc/72/29/27/556722927.db2.gz KHFRDCFXHZGICY-GOSISDBHSA-N 1 0 438.576 2.372 40 0 IEABRO Cn1nccc1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019289131 556729164 /nfs/dbraw/zinc/72/91/64/556729164.db2.gz KWBHSKBTHUUFKK-OAHLLOKOSA-N 1 0 438.557 2.143 40 0 IEABRO O=C(c1ccc(F)cc1)N1CCc2nc(C3CC[NH+](C4CCOCC4)CC3)[nH]c(=O)c2C1 ZINC000019332112 556737261 /nfs/dbraw/zinc/73/72/61/556737261.db2.gz MNXUZKXWBKVAIO-UHFFFAOYSA-N 1 0 440.519 2.466 40 0 IEABRO O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019333292 556737777 /nfs/dbraw/zinc/73/77/77/556737777.db2.gz NSZQWTOTGHZPIB-OAQYLSRUSA-N 1 0 440.519 2.352 40 0 IEABRO O=C(c1cnccn1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343648 556741538 /nfs/dbraw/zinc/74/15/38/556741538.db2.gz OSQVHMQBJKBZCV-HNNXBMFYSA-N 1 0 436.541 2.200 40 0 IEABRO CCN1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)CC1 ZINC000019527876 556787676 /nfs/dbraw/zinc/78/76/76/556787676.db2.gz HDNJHKKQGGXZGG-GOTSBHOMSA-N 1 0 448.615 2.457 40 0 IEABRO COc1cc(C[NH+]2CCC(c3n[nH]cc3C(=O)N3CCOCC3)CC2)cc2c1OCCO2 ZINC000019549944 556795055 /nfs/dbraw/zinc/79/50/55/556795055.db2.gz KQUPYZVMXQPAMH-UHFFFAOYSA-N 1 0 442.516 2.042 40 0 IEABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCN(C(=O)c5cnccn5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555567 556798607 /nfs/dbraw/zinc/79/86/07/556798607.db2.gz UIWVAHNIABLBHD-QGZVFWFLSA-N 1 0 446.511 2.169 40 0 IEABRO Cc1sc2c(C3CCN(C(=O)[C@H](C)[NH2+][C@@H]4CCS(=O)(=O)C4)CC3)nc(C)n2c1C ZINC000019561757 556803011 /nfs/dbraw/zinc/80/30/11/556803011.db2.gz RVSXYXFSNVPFIZ-YVEFUNNKSA-N 1 0 438.619 2.192 40 0 IEABRO CN1C[C@@H](C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](CC2CCCCC2)C3)CC1=O ZINC000019587275 556823755 /nfs/dbraw/zinc/82/37/55/556823755.db2.gz WOVMGSVSPMTJJD-PXNSSMCTSA-N 1 0 441.576 2.262 40 0 IEABRO COc1ccc2c(c1)C=C(C(=O)N1CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C1)CO2 ZINC000019590213 556825250 /nfs/dbraw/zinc/82/52/50/556825250.db2.gz VLERZGFULWJPFQ-OAHLLOKOSA-N 1 0 436.512 2.361 40 0 IEABRO CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)C[NH+]3CCCCCC3)n2)CC1=O ZINC000019697410 556854524 /nfs/dbraw/zinc/85/45/24/556854524.db2.gz WPQJRPUFUKHVSD-GOSISDBHSA-N 1 0 430.597 2.101 40 0 IEABRO COc1cc(C)ccc1C[NH2+]CCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 ZINC000019697813 556855780 /nfs/dbraw/zinc/85/57/80/556855780.db2.gz QAAPAAMKCRRSOG-UHFFFAOYSA-N 1 0 439.560 2.199 40 0 IEABRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 ZINC000019701059 556860905 /nfs/dbraw/zinc/86/09/05/556860905.db2.gz DMDNNLHHQRCVAP-LJQANCHMSA-N 1 0 436.560 2.138 40 0 IEABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(S(=O)(=O)c1cc(C)c(OC)cc1C)C2 ZINC000019707110 556866301 /nfs/dbraw/zinc/86/63/01/556866301.db2.gz URFJYWJVSSQVHX-MRXNPFEDSA-N 1 0 431.562 2.315 40 0 IEABRO CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C[NH+]3CCC(C)CC3)nc(N(C)C)c2C1 ZINC000019710259 556872177 /nfs/dbraw/zinc/87/21/77/556872177.db2.gz ZOWCRVCOIDXCMA-NRFANRHFSA-N 1 0 442.608 2.233 40 0 IEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CN(S(=O)(=O)c1ccc(OC)c(C)c1)CC2 ZINC000019711372 556875871 /nfs/dbraw/zinc/87/58/71/556875871.db2.gz GMPGAUJHDVKLPC-UHFFFAOYSA-N 1 0 445.589 2.392 40 0 IEABRO COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)N[C@@H]1C[NH+]3CCC1CC3)NC2=O ZINC000072339233 556911667 /nfs/dbraw/zinc/91/16/67/556911667.db2.gz JZPKEUKJIURZGC-VEEBSXHGSA-N 1 0 425.529 2.160 40 0 IEABRO COc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OCC(N)=O ZINC000072392982 556964189 /nfs/dbraw/zinc/96/41/89/556964189.db2.gz LMSRNCGXBVDDCT-SFHVURJKSA-N 1 0 449.511 2.084 40 0 IEABRO COCc1ccc(OC)c(C[N@H+]2C[C@H]3[C@H](CC[C@]3(O)c3cnc(OC)nc3OC)C2)c1 ZINC000072395416 556967214 /nfs/dbraw/zinc/96/72/14/556967214.db2.gz NOBOGHSPGXJJRW-ICPLQIHGSA-N 1 0 429.517 2.378 40 0 IEABRO O=C(c1cnccn1)N1CCc2nc(C3CC[NH+](Cc4ccccc4F)CC3)[nH]c(=O)c2C1 ZINC000072399015 556971452 /nfs/dbraw/zinc/97/14/52/556971452.db2.gz OTVLXPRTVXMVJG-UHFFFAOYSA-N 1 0 448.502 2.277 40 0 IEABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000585106079 557039455 /nfs/dbraw/zinc/03/94/55/557039455.db2.gz JINFJYXAKGFHCI-HBGVWJBISA-N 1 0 429.561 2.403 40 0 IEABRO C[NH+](C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O ZINC000585106599 557040570 /nfs/dbraw/zinc/04/05/70/557040570.db2.gz CPZWSCXEGGLCMU-QPPBQGQZSA-N 1 0 425.504 2.225 40 0 IEABRO Cc1ccc(CC(=O)N2CCO[C@]3(C2)C(=O)N(CC[NH+](C)C)C[C@H]3c2ccccc2)cc1 ZINC000585106741 557040830 /nfs/dbraw/zinc/04/08/30/557040830.db2.gz HAJDXASMFRHZFM-OZXSUGGESA-N 1 0 435.568 2.323 40 0 IEABRO Cc1ccc2nc(CN3C(=O)C[C@H]4[C@@H]3CC[N@@H+]4Cc3ccnc(N4CCOCC4)c3)cn2c1 ZINC000585109014 557044416 /nfs/dbraw/zinc/04/44/16/557044416.db2.gz NXCDCPAVZGWGMF-VXKWHMMOSA-N 1 0 446.555 2.250 40 0 IEABRO O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115671 557137750 /nfs/dbraw/zinc/13/77/50/557137750.db2.gz IXZJIHWDOLTBNB-UHFFFAOYSA-N 1 0 427.526 2.133 40 0 IEABRO COc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000006198520 557150051 /nfs/dbraw/zinc/15/00/51/557150051.db2.gz FZPAYRBKMCICTE-IBGZPJMESA-N 1 0 432.590 2.344 40 0 IEABRO COCCN1CC2(CC[NH+](Cc3ccccn3)CC2)COc2ccccc2S1(=O)=O ZINC000096037177 557164472 /nfs/dbraw/zinc/16/44/72/557164472.db2.gz MQYPFVLKYLIZJT-UHFFFAOYSA-N 1 0 431.558 2.394 40 0 IEABRO O=C(NCCc1cccnc1)c1ccc2nnc([C@H]3CC[N@H+](Cc4cccnc4)C3)n2c1 ZINC000096156186 557180836 /nfs/dbraw/zinc/18/08/36/557180836.db2.gz SSGNPLWEFMRIDL-FQEVSTJZSA-N 1 0 427.512 2.481 40 0 IEABRO CCc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NC[C@H]2CCCO2)Cn2ccnc23)o1 ZINC000096243759 557187582 /nfs/dbraw/zinc/18/75/82/557187582.db2.gz ZZQAFMSPQOYOTQ-UYAOXDASSA-N 1 0 428.533 2.224 40 0 IEABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2ccc(OC)cc2)CC3)C1=O ZINC000096262802 557190308 /nfs/dbraw/zinc/19/03/08/557190308.db2.gz NZLMBFSPXZTDEW-DEOSSOPVSA-N 1 0 429.561 2.118 40 0 IEABRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000585272097 557216688 /nfs/dbraw/zinc/21/66/88/557216688.db2.gz IYDUAOBLZFXYCX-NRFANRHFSA-N 1 0 430.545 2.278 40 0 IEABRO CCOCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585272036 557216833 /nfs/dbraw/zinc/21/68/33/557216833.db2.gz IPSYWCPJRJOSPA-DQEYMECFSA-N 1 0 425.573 2.469 40 0 IEABRO COc1cc(C[N@H+](C)C[C@H](O)COc2ccccc2)ccc1OCCN1CCOCC1 ZINC000585272686 557217206 /nfs/dbraw/zinc/21/72/06/557217206.db2.gz LWXALSSGOLFYRW-NRFANRHFSA-N 1 0 430.545 2.278 40 0 IEABRO CC(=O)NCCCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)cc1 ZINC000585282201 557221752 /nfs/dbraw/zinc/22/17/52/557221752.db2.gz ZJTXASZACGHIDP-ZEQRLZLVSA-N 1 0 446.519 2.107 40 0 IEABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(C[NH+]2CCC(C(F)(F)F)CC2)[C@@H](O)C1 ZINC000585283582 557223109 /nfs/dbraw/zinc/22/31/09/557223109.db2.gz FEPCDNXJHPQFSM-HKUYNNGSSA-N 1 0 434.886 2.481 40 0 IEABRO COc1ccc(C[NH2+]C[C@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@H]2O)cc1OC ZINC000585284019 557223480 /nfs/dbraw/zinc/22/34/80/557223480.db2.gz DXZXFSADYBBHQV-IRLDBZIGSA-N 1 0 434.920 2.085 40 0 IEABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000585291994 557229859 /nfs/dbraw/zinc/22/98/59/557229859.db2.gz WLHFLNKFOMHOLZ-GGAORHGYSA-N 1 0 427.932 2.130 40 0 IEABRO C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 ZINC000219271897 557235078 /nfs/dbraw/zinc/23/50/78/557235078.db2.gz VDMHDEPLXOXIGD-OAQYLSRUSA-N 1 0 445.541 2.325 40 0 IEABRO COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH2+]Cc4ccccc4C)[C@@H](O)[C@H]3O2)cc1 ZINC000604381188 557236138 /nfs/dbraw/zinc/23/61/38/557236138.db2.gz FKNYXBJJWNIHCD-YQSOIZMPSA-N 1 0 440.540 2.086 40 0 biogenic,in-vitro IEABRO CN(CCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000219730082 557265974 /nfs/dbraw/zinc/26/59/74/557265974.db2.gz RQPKANJBABXBNX-UHFFFAOYSA-N 1 0 430.574 2.478 40 0 IEABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CC[NH+](C)CC3)ccc2C)cc1 ZINC000022822136 557271223 /nfs/dbraw/zinc/27/12/23/557271223.db2.gz YBFHWGYVSFEHJY-UHFFFAOYSA-N 1 0 444.601 2.472 40 0 IEABRO C[NH+]1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 ZINC000108204973 557338394 /nfs/dbraw/zinc/33/83/94/557338394.db2.gz IZHWGEWXDGHMMI-AWEZNQCLSA-N 1 0 444.395 2.060 40 0 IEABRO Cc1ccc(N(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1C ZINC000113934609 557379095 /nfs/dbraw/zinc/37/90/95/557379095.db2.gz DSFHZWBHAPRBKS-UHFFFAOYSA-N 1 0 430.574 2.460 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000013640120 557385002 /nfs/dbraw/zinc/38/50/02/557385002.db2.gz KOXGTAGMXWZOKV-RTBURBONSA-N 1 0 441.919 2.263 40 0 IEABRO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000223222956 557447682 /nfs/dbraw/zinc/44/76/82/557447682.db2.gz OVQGIAGMOYQGLH-YLJYHZDGSA-N 1 0 425.595 2.478 40 0 IEABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1CCC[NH+]1CCOCC1 ZINC000223572613 557487717 /nfs/dbraw/zinc/48/77/17/557487717.db2.gz PUBAGUDYUQACDJ-VXKWHMMOSA-N 1 0 443.617 2.187 40 0 IEABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1CCC[NH+]1CCOCC1 ZINC000223572488 557487732 /nfs/dbraw/zinc/48/77/32/557487732.db2.gz PUBAGUDYUQACDJ-YADHBBJMSA-N 1 0 443.617 2.187 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3OC)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000017100280 557488748 /nfs/dbraw/zinc/48/87/48/557488748.db2.gz JDOHYXNJOJZTRX-LEWJYISDSA-N 1 0 436.512 2.224 40 0 IEABRO CN(c1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1)S(C)(=O)=O ZINC000224517300 557615353 /nfs/dbraw/zinc/61/53/53/557615353.db2.gz GFWVNEBVWHEXIJ-UHFFFAOYSA-N 1 0 431.558 2.373 40 0 IEABRO CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224616024 557631409 /nfs/dbraw/zinc/63/14/09/557631409.db2.gz VYEBCQDYUNCFKS-UHFFFAOYSA-N 1 0 430.574 2.455 40 0 IEABRO O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225091273 557686684 /nfs/dbraw/zinc/68/66/84/557686684.db2.gz UZIBXTRKIQMXMM-UHFFFAOYSA-N 1 0 427.526 2.067 40 0 IEABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000225212138 557700844 /nfs/dbraw/zinc/70/08/44/557700844.db2.gz BYPMINHKVLJGJV-INIZCTEOSA-N 1 0 437.562 2.282 40 0 IEABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCN(Cc3ccc(OCc4ccccn4)cc3)C2)CC1 ZINC000585270562 568617326 /nfs/dbraw/zinc/61/73/26/568617326.db2.gz ZRGGBZHMPVVRLB-VWLOTQADSA-N 1 0 438.572 2.198 40 0 IEABRO O=C1CCCN1CCCOc1ccc(C[NH2+]C[C@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000585271217 568617726 /nfs/dbraw/zinc/61/77/26/568617726.db2.gz UONFVRMLUGWTAT-XMMPIXPASA-N 1 0 442.535 2.343 40 0 IEABRO O=C1CCCN1CCCOc1ccc(C[NH2+]C[C@@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000585271212 568617778 /nfs/dbraw/zinc/61/77/78/568617778.db2.gz UONFVRMLUGWTAT-DEOSSOPVSA-N 1 0 442.535 2.343 40 0 IEABRO Cc1cccc(N2CCC(O)(C[N@@H+]3CCOC[C@@](O)(COc4ccccc4)C3)CC2)c1 ZINC000585287773 568619528 /nfs/dbraw/zinc/61/95/28/568619528.db2.gz RAIVCLYPSMPJEP-RUZDIDTESA-N 1 0 426.557 2.469 40 0 IEABRO CS(=O)(=O)N1C[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)Oc2ccccc21 ZINC000260892729 568628069 /nfs/dbraw/zinc/62/80/69/568628069.db2.gz FEWJHHNDIQGGSN-OAQYLSRUSA-N 1 0 429.542 2.126 40 0 IEABRO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CN(C(=O)CCN4CCOCC4)CCO3)c2)n1 ZINC000257202822 568666418 /nfs/dbraw/zinc/66/64/18/568666418.db2.gz ANOPDCSWXGAIIR-OAQYLSRUSA-N 1 0 440.548 2.163 40 0 IEABRO COC1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2ccc(C)cn2)CC1 ZINC000257205083 568667455 /nfs/dbraw/zinc/66/74/55/568667455.db2.gz AXOHBEATBDELNA-LUKWVAJMSA-N 1 0 425.529 2.180 40 0 IEABRO Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)c4ccc(OCCC[NH3+])cc4)C3)c2n1 ZINC000257207856 568668683 /nfs/dbraw/zinc/66/86/83/568668683.db2.gz BJPQBAOBMBYCPS-VWLOTQADSA-N 1 0 449.555 2.379 40 0 IEABRO COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCCN(CC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)[C@@H]32)cc1 ZINC000257223837 568675972 /nfs/dbraw/zinc/67/59/72/568675972.db2.gz DZCRQMGJWHUXAS-JMUQELJHSA-N 1 0 435.528 2.366 40 0 IEABRO CNc1nc([C@H]2CCN(C(=O)C3(c4ccccc4F)CCOCC3)C2)nc2c1CC[NH2+]C2 ZINC000257232441 568680047 /nfs/dbraw/zinc/68/00/47/568680047.db2.gz GKVSAMUEUDPRGN-INIZCTEOSA-N 1 0 439.535 2.367 40 0 IEABRO CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccc(Nc2ncccn2)c1 ZINC000257238005 568682673 /nfs/dbraw/zinc/68/26/73/568682673.db2.gz HJEFNSKBIPBLPR-NRFANRHFSA-N 1 0 430.512 2.293 40 0 IEABRO CN(CC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)c1ccc(OCCC[NH3+])cc1 ZINC000257260163 568693223 /nfs/dbraw/zinc/69/32/23/568693223.db2.gz LBOQSZPLFQTHKI-UHFFFAOYSA-N 1 0 449.555 2.461 40 0 IEABRO Cc1cc(N2CCC(O)(CN(C)C(=O)c3cccc(OCC[NH3+])c3)CC2)c2cnccc2n1 ZINC000257267941 568696575 /nfs/dbraw/zinc/69/65/75/568696575.db2.gz MJNJWLWNOHUHIQ-UHFFFAOYSA-N 1 0 449.555 2.379 40 0 IEABRO CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1cccc(OCCC[NH3+])c1 ZINC000257303203 568712754 /nfs/dbraw/zinc/71/27/54/568712754.db2.gz SGEQCSVZXHGYFP-VWLOTQADSA-N 1 0 449.555 2.461 40 0 IEABRO C[N@@H+]1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257319928 568719885 /nfs/dbraw/zinc/71/98/85/568719885.db2.gz VUQIOLXKDGNLEP-OAQYLSRUSA-N 1 0 432.572 2.468 40 0 IEABRO Cc1ocnc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257331305 568724997 /nfs/dbraw/zinc/72/49/97/568724997.db2.gz XSHDANGQQFZHNN-HFMPRLQTSA-N 1 0 426.561 2.202 40 0 IEABRO O=C(Cn1cc(Cl)cn1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257341495 568729194 /nfs/dbraw/zinc/72/91/94/568729194.db2.gz ZKOOOTHFUBXFQL-MQSCRBSSSA-N 1 0 446.979 2.226 40 0 IEABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@H+](Cc3cc(C)cc(C)c3)C2)cs1 ZINC000306123150 568762493 /nfs/dbraw/zinc/76/24/93/568762493.db2.gz AFRSHESPNLVJRM-HSZRJFAPSA-N 1 0 437.569 2.382 40 0 IEABRO CN1CCn2c(C(=O)N3CCCCC3)nnc2C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000306127729 568764875 /nfs/dbraw/zinc/76/48/75/568764875.db2.gz GFSJHIVPMACOIS-UHFFFAOYSA-N 1 0 426.540 2.480 40 0 IEABRO CCCCNC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@]2(CC(C(=O)N3CCCC3)=NO2)C1 ZINC000306133657 568767894 /nfs/dbraw/zinc/76/78/94/568767894.db2.gz MSJLLACBIZQHRB-XUZZJYLKSA-N 1 0 441.576 2.498 40 0 IEABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4cccnc4OC)C[C@H]2C3)cc1 ZINC000306135406 568768890 /nfs/dbraw/zinc/76/88/90/568768890.db2.gz OPZZYQAJTFWXKK-IAGOWNOFSA-N 1 0 434.500 2.247 40 0 IEABRO CN1CCn2c(C(=O)NCCc3cccnc3)nnc2C12CC[NH+](Cc1ccccc1)CC2 ZINC000306135507 568768943 /nfs/dbraw/zinc/76/89/43/568768943.db2.gz OTKFPNUHPXTFRW-UHFFFAOYSA-N 1 0 445.571 2.082 40 0 IEABRO COc1ncccc1C[N@@H+]1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306139314 568771325 /nfs/dbraw/zinc/77/13/25/568771325.db2.gz SUKKVFXLXVYMIQ-RCZVLFRGSA-N 1 0 445.523 2.277 40 0 IEABRO CCn1cc(C[N@@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 ZINC000306140381 568771640 /nfs/dbraw/zinc/77/16/40/568771640.db2.gz URQGBORHBNWFET-ISKFKSNPSA-N 1 0 432.528 2.090 40 0 IEABRO COC(=O)c1ccc(OC)c(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)c1 ZINC000329004780 568809101 /nfs/dbraw/zinc/80/91/01/568809101.db2.gz KTMNTVUOJRTFGR-UHFFFAOYSA-N 1 0 427.427 2.242 40 0 IEABRO COC(=O)c1ccc(Nc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)cc1OC ZINC000329066062 568810953 /nfs/dbraw/zinc/81/09/53/568810953.db2.gz XWNHKLMCSJZIRW-UHFFFAOYSA-N 1 0 436.516 2.285 40 0 IEABRO O=C(N[C@H]1CSC[C@H]1O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372532 569226611 /nfs/dbraw/zinc/22/66/11/569226611.db2.gz QNFKTFHWBYMCQV-MXEMCNAFSA-N 1 0 428.529 2.349 40 0 IEABRO CC[NH+](CC)CC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2ccc(OC)cc2)C1 ZINC000019692637 569228058 /nfs/dbraw/zinc/22/80/58/569228058.db2.gz HHOLGXCMAGCSMF-FQEVSTJZSA-N 1 0 427.549 2.460 40 0 IEABRO CC1CC[NH+](CCC(=O)N2CCO[C@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)CC1 ZINC000019693107 569228540 /nfs/dbraw/zinc/22/85/40/569228540.db2.gz UKYZIHIEFIANMR-FQEVSTJZSA-N 1 0 437.544 2.264 40 0 IEABRO O=C(c1ccncc1)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699444 569230635 /nfs/dbraw/zinc/23/06/35/569230635.db2.gz HNJJYNRQEMWNLI-UHFFFAOYSA-N 1 0 447.539 2.273 40 0 IEABRO O=C(c1cccnc1)N1CCC[C@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699635 569230766 /nfs/dbraw/zinc/23/07/66/569230766.db2.gz JIYALLSYDYCQJM-NRFANRHFSA-N 1 0 447.539 2.273 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccc(OC)cc3)C1)C2=O ZINC000019699923 569230852 /nfs/dbraw/zinc/23/08/52/569230852.db2.gz JSYLCFNSQYWTCH-IBGZPJMESA-N 1 0 442.560 2.025 40 0 IEABRO COc1ccccc1C(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](CC(C)C)CC3)C2=O)C1 ZINC000019699787 569230890 /nfs/dbraw/zinc/23/08/90/569230890.db2.gz FHSVPRIRVDCRJW-SFHVURJKSA-N 1 0 442.560 2.342 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccc(OC)cc3)C1)C2=O ZINC000019699922 569230897 /nfs/dbraw/zinc/23/08/97/569230897.db2.gz JSYLCFNSQYWTCH-LJQANCHMSA-N 1 0 442.560 2.025 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccccc3OCC)C1)C2=O ZINC000019700011 569231044 /nfs/dbraw/zinc/23/10/44/569231044.db2.gz RHPAPGLSRPDYPF-GOSISDBHSA-N 1 0 442.560 2.486 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cc3ccccc3F)CC1)C2=O ZINC000019700723 569231252 /nfs/dbraw/zinc/23/12/52/569231252.db2.gz NWPHTFMWNASDIO-UHFFFAOYSA-N 1 0 444.551 2.403 40 0 IEABRO COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)C[NH+]4CCCC4)C3)nc2C)c1 ZINC000019758263 569237393 /nfs/dbraw/zinc/23/73/93/569237393.db2.gz GGELEBJHTVVBLR-IBGZPJMESA-N 1 0 437.544 2.135 40 0 IEABRO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@@H+]3CC[C@@]4(C(=O)Nc5c4ccc(OC)c5OC)[C@H]3C[C@H]12 ZINC000008951867 569489957 /nfs/dbraw/zinc/48/99/57/569489957.db2.gz TTZWEOINXHJHCY-MDJXFETDSA-N 1 0 428.485 2.080 40 0 biogenic IEABRO C[N@H+](CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1 ZINC000067870727 291332779 /nfs/dbraw/zinc/33/27/79/291332779.db2.gz ZYQITKGERHHTCD-JAXLGGSGSA-N 1 0 428.602 2.245 40 0 biogenic,in-vitro IEABRO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CNC(=O)N3CCOCC3)n(C)n2)cc1 ZINC000008635369 291334890 /nfs/dbraw/zinc/33/48/90/291334890.db2.gz MADYDRQOURSWCF-ZVDOUQERSA-N 1 0 439.560 2.315 40 0 biogenic,in-vitro IEABRO c1cc(Oc2nnnn2[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]CC2CCCCC2)cc2c1OCO2 ZINC000004259818 291339386 /nfs/dbraw/zinc/33/93/86/291339386.db2.gz TVXDIGIUPDIAII-XAMWDVODSA-N 1 0 429.477 2.071 40 0 biogenic,in-vitro IEABRO COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000006198527 193892228 /nfs/dbraw/zinc/89/22/28/193892228.db2.gz AKFLVWQIGYPFFY-IBGZPJMESA-N 1 0 432.590 2.344 40 0 IEABRO CC(=O)N1CCC[C@@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000012162935 519545111 /nfs/dbraw/zinc/54/51/11/519545111.db2.gz RKGBEDJZRZNOIE-GRWTVWFQSA-N 1 0 432.540 2.404 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCN(Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020674673 521092295 /nfs/dbraw/zinc/09/22/95/521092295.db2.gz FXLXXRLTQAYOKT-LEWJYISDSA-N 1 0 438.503 2.350 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCN(Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020674670 521280551 /nfs/dbraw/zinc/28/05/51/521280551.db2.gz FXLXXRLTQAYOKT-NHCUHLMSSA-N 1 0 438.503 2.350 40 0 IEABRO CCN1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000012186904 521670700 /nfs/dbraw/zinc/67/07/00/521670700.db2.gz HSZNHLANGVBZSP-UHFFFAOYSA-N 1 0 445.567 2.233 40 0 IEABRO CN1[C@@H]2CC[N@@H+](C3CCCCC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000035442411 524031048 /nfs/dbraw/zinc/03/10/48/524031048.db2.gz FOFDQSSOGORFOJ-XJUOHMSHSA-N 1 0 430.568 2.428 40 0 biogenic,in-vitro IEABRO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@]32c3ccccc3NC2=O)cc1OC ZINC000100207776 555702916 /nfs/dbraw/zinc/70/29/16/555702916.db2.gz DMYOOPSREMVGOU-AYFLJRIOSA-N 1 0 433.464 2.135 40 0 IEABRO C[N@@H+]1[C@@H]2CCN(Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000022923080 556341373 /nfs/dbraw/zinc/34/13/73/556341373.db2.gz WBCQSNSWTQZSHE-DWLFOUALSA-N 1 0 426.586 2.218 40 0 biogenic,in-vitro IEABRO Cc1nc2cc(-c3nccn3C)nn2c(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1C ZINC000012087637 556400886 /nfs/dbraw/zinc/40/08/86/556400886.db2.gz WFGXRENLENWDCU-UHFFFAOYSA-N 1 0 436.564 2.057 40 0 IEABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1I ZINC000013612656 556535060 /nfs/dbraw/zinc/53/50/60/556535060.db2.gz GAFLYHWVTVDWJN-UHFFFAOYSA-N 1 0 438.331 2.454 40 0 IEABRO C[NH+](C)CCNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000013673946 556553567 /nfs/dbraw/zinc/55/35/67/556553567.db2.gz UZLKNSWXBNNBRB-UHFFFAOYSA-N 1 0 440.363 2.322 40 0 IEABRO CC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000036312410 556596487 /nfs/dbraw/zinc/59/64/87/556596487.db2.gz RNXBAYSQRRPAKN-KRWDZBQOSA-N 1 0 443.635 2.402 40 0 IEABRO O=C(NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000038753351 556616441 /nfs/dbraw/zinc/61/64/41/556616441.db2.gz CGXMHBFGNYCDCW-UHFFFAOYSA-N 1 0 425.570 2.360 40 0 IEABRO CC1CC[NH+](CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 ZINC000044914126 556681238 /nfs/dbraw/zinc/68/12/38/556681238.db2.gz NDXGZESKHFOYQP-GOSISDBHSA-N 1 0 429.970 2.105 40 0 IEABRO O=C(CC1CCOCC1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257217309 556703134 /nfs/dbraw/zinc/70/31/34/556703134.db2.gz CYLGNCBWQJQTNY-SONWIMMPSA-N 1 0 430.589 2.493 40 0 IEABRO Cc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)on1 ZINC000257330949 556705944 /nfs/dbraw/zinc/70/59/44/556705944.db2.gz XQSZATUWWPMBNR-HFMPRLQTSA-N 1 0 426.561 2.202 40 0 IEABRO O=C(Cc1cccnc1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257233672 556709297 /nfs/dbraw/zinc/70/92/97/556709297.db2.gz GQEOAONEFDWVJF-GNKBHMEESA-N 1 0 437.584 2.439 40 0 IEABRO C[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257304004 556717875 /nfs/dbraw/zinc/71/78/75/556717875.db2.gz SJRLFUOQQHALIH-JOCHJYFZSA-N 1 0 437.540 2.372 40 0 IEABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 ZINC000260457998 556720750 /nfs/dbraw/zinc/72/07/50/556720750.db2.gz IGGJIKNLGHVDFF-SPYBWZPUSA-N 1 0 443.997 2.351 40 0 IEABRO Cc1ncc(C[N@@H+]2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)c3ccccc3F)C4)C2)cn1 ZINC000019287201 556728178 /nfs/dbraw/zinc/72/81/78/556728178.db2.gz DUZOQIWFXSPFPH-QGZVFWFLSA-N 1 0 448.502 2.195 40 0 IEABRO Cn1c2ccc(C[NH+]3CCC(c4cc(=O)[nH]c(-c5ccccn5)n4)CC3)cc2n(C)c1=O ZINC000019289794 556729608 /nfs/dbraw/zinc/72/96/08/556729608.db2.gz QNOIMGTZDGNVJA-UHFFFAOYSA-N 1 0 430.512 2.402 40 0 IEABRO CC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)CC1 ZINC000019499914 556771740 /nfs/dbraw/zinc/77/17/40/556771740.db2.gz PUJXXFUBRSZFKN-VGOFRKELSA-N 1 0 436.560 2.315 40 0 IEABRO CCn1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cn1 ZINC000019525063 556782391 /nfs/dbraw/zinc/78/23/91/556782391.db2.gz NKCIAGWCDJYWAF-GOSISDBHSA-N 1 0 434.566 2.081 40 0 IEABRO CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)n1 ZINC000019525800 556783593 /nfs/dbraw/zinc/78/35/93/556783593.db2.gz CPNQZZDQTAVCSG-QGZVFWFLSA-N 1 0 426.565 2.494 40 0 IEABRO CCOC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@H](c3csnn3)C2)CC1 ZINC000019530602 556791278 /nfs/dbraw/zinc/79/12/78/556791278.db2.gz JOVJGYPAMNITTG-RBUKOAKNSA-N 1 0 443.573 2.330 40 0 IEABRO Cc1sc2ncn(CC3(O)CC[NH+](CC(=O)N4C[C@H](C)C[C@@H](C)C4)CC3)c(=O)c2c1C ZINC000019561414 556802860 /nfs/dbraw/zinc/80/28/60/556802860.db2.gz HUWRGZZDAIKLPP-HZPDHXFCSA-N 1 0 446.617 2.406 40 0 IEABRO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)[C@@H]4CCCO4)C3)[nH]c(=O)c2C1 ZINC000019570590 556810661 /nfs/dbraw/zinc/81/06/61/556810661.db2.gz GMGIAKDPRJDNNO-UTKZUKDTSA-N 1 0 438.528 2.244 40 0 IEABRO COc1ccccc1N1CCN(C(=O)C[NH+]2CCC(n3cnc4cccnc43)CC2)CC1 ZINC000019571117 556811357 /nfs/dbraw/zinc/81/13/57/556811357.db2.gz VCNPAYQNAVONKE-UHFFFAOYSA-N 1 0 434.544 2.426 40 0 IEABRO Cc1nn(C)cc1C[N@H+]1C[C@@H](C(=O)NC(C)C)[C@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019583926 556821374 /nfs/dbraw/zinc/82/13/74/556821374.db2.gz FTGNLFVZIXJKOJ-WOJBJXKFSA-N 1 0 425.581 2.249 40 0 IEABRO COCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019593208 556829314 /nfs/dbraw/zinc/82/93/14/556829314.db2.gz YDBUHSQCRPOUTK-KRWDZBQOSA-N 1 0 428.508 2.210 40 0 IEABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CC[NH+](CC(=O)N3CCCC3)CC2)n1 ZINC000019694158 556849475 /nfs/dbraw/zinc/84/94/75/556849475.db2.gz VMVKFQXWINKADT-UHFFFAOYSA-N 1 0 436.560 2.110 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)c3ccccc3OCC)C1)C2=O ZINC000019700771 556860132 /nfs/dbraw/zinc/86/01/32/556860132.db2.gz HAPFAZLLAIMLEM-KRWDZBQOSA-N 1 0 428.533 2.096 40 0 IEABRO COc1ccc(C)cc1S(=O)(=O)N(C)Cc1cc(N(C)C)nc(C2CC[NH2+]CC2)n1 ZINC000019710123 556871965 /nfs/dbraw/zinc/87/19/65/556871965.db2.gz UFOUWGBWSKBQSN-UHFFFAOYSA-N 1 0 433.578 2.147 40 0 IEABRO CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)C[NH+]3CCC(C)CC3)nc(N(C)C)c2C1 ZINC000019710258 556872170 /nfs/dbraw/zinc/87/21/70/556872170.db2.gz ZOWCRVCOIDXCMA-OAQYLSRUSA-N 1 0 442.608 2.233 40 0 IEABRO CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC000019710644 556874031 /nfs/dbraw/zinc/87/40/31/556874031.db2.gz LUIZGHVZKPTETN-UHFFFAOYSA-N 1 0 442.608 2.249 40 0 IEABRO CC[NH+]1CCC(CC(=O)N2CCC[C@H]2c2nc3c(c(NC)n2)CN(C(C)=O)CC3)CC1 ZINC000019710809 556874285 /nfs/dbraw/zinc/87/42/85/556874285.db2.gz SXMIQYYYDPXOGF-FQEVSTJZSA-N 1 0 428.581 2.208 40 0 IEABRO CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)CC[N@@H+]1CCC[C@H](C)C1)C2 ZINC000019710897 556874927 /nfs/dbraw/zinc/87/49/27/556874927.db2.gz QSHDKYIYONKPGY-KRWDZBQOSA-N 1 0 442.608 2.251 40 0 IEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CN(S(=O)(=O)CCc1ccccc1)CC2 ZINC000019711379 556875783 /nfs/dbraw/zinc/87/57/83/556875783.db2.gz WXJUMGPHWWCDHP-UHFFFAOYSA-N 1 0 429.590 2.258 40 0 IEABRO CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)[C@H](C)C[NH+]4CCOCC4)CC3)nc21 ZINC000019739486 556878185 /nfs/dbraw/zinc/87/81/85/556878185.db2.gz LELGFZWMCJTZGK-QGZVFWFLSA-N 1 0 443.592 2.149 40 0 IEABRO Cc1nc([C@@H]2CCCN2CC(=O)NCC2([NH+](C)C)CCCCC2)nc2c1CCC(=O)N2C ZINC000019741931 556885303 /nfs/dbraw/zinc/88/53/03/556885303.db2.gz NLVYZKYVZHIMMG-IBGZPJMESA-N 1 0 442.608 2.212 40 0 IEABRO COCCn1c2nc(C3CC[NH+](Cc4ccc(OC)cc4)CC3)ccc2c(=O)n(C)c1=O ZINC000019743251 556887638 /nfs/dbraw/zinc/88/76/38/556887638.db2.gz GVDLSEDSTVAUHV-UHFFFAOYSA-N 1 0 438.528 2.130 40 0 IEABRO COCCn1c(=O)n(C)c(=O)c2ccc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)nc21 ZINC000019743581 556888253 /nfs/dbraw/zinc/88/82/53/556888253.db2.gz MNONEYYAQDULAD-QGZVFWFLSA-N 1 0 426.492 2.260 40 0 IEABRO Cc1nc([C@H]2CCCN2C(=O)C[NH+](C)C)nc2c1CC(=O)N2CCc1ccccc1F ZINC000019744256 556890196 /nfs/dbraw/zinc/89/01/96/556890196.db2.gz MDMYOHZDBSOSHW-LJQANCHMSA-N 1 0 425.508 2.281 40 0 IEABRO O=C(Cn1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCCC3)C2)c1=O)NCc1ccccc1 ZINC000019749950 556894162 /nfs/dbraw/zinc/89/41/62/556894162.db2.gz DYSSDNGOOXRGRT-NRFANRHFSA-N 1 0 436.556 2.113 40 0 IEABRO O=C(Cn1cccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1=O)Nc1ccc(F)cc1 ZINC000019750117 556894372 /nfs/dbraw/zinc/89/43/72/556894372.db2.gz GSUJTYOFROMCFU-UHFFFAOYSA-N 1 0 426.492 2.327 40 0 IEABRO O=C(Cn1cc(C(=O)NCc2ccccc2)ccc1=O)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000019751311 556895170 /nfs/dbraw/zinc/89/51/70/556895170.db2.gz YKAUIPOPFJACQO-NRFANRHFSA-N 1 0 436.556 2.113 40 0 IEABRO O=C(Cn1cc(C(=O)NCc2ccccc2)ccc1=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000019751321 556895301 /nfs/dbraw/zinc/89/53/01/556895301.db2.gz RPMFMCBKHDKABW-QFIPXVFZSA-N 1 0 436.556 2.255 40 0 IEABRO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334510 556907278 /nfs/dbraw/zinc/90/72/78/556907278.db2.gz DULXDXIVVMHKML-UQBPGWFLSA-N 1 0 435.524 2.487 40 0 IEABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)c1 ZINC000072346136 556917447 /nfs/dbraw/zinc/91/74/47/556917447.db2.gz MJTZVCWNDQYDDH-LJQANCHMSA-N 1 0 436.560 2.407 40 0 IEABRO Cc1cccc(Nc2ccc([C@@H]3CCC[N@H+](CC(=O)N4CCC(C(N)=O)CC4)C3)nc2)n1 ZINC000072353320 556926336 /nfs/dbraw/zinc/92/63/36/556926336.db2.gz SPMBGQFNZCMHOA-LJQANCHMSA-N 1 0 436.560 2.432 40 0 IEABRO COc1ccc(C[N@H+](C)Cc2ccc([C@H]3CN(C(C)=O)C[C@@H]3C(N)=O)cc2)cc1OC ZINC000072370201 556933895 /nfs/dbraw/zinc/93/38/95/556933895.db2.gz VRFWAPDYIBWYGA-RTWAWAEBSA-N 1 0 425.529 2.383 40 0 IEABRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)ccc1OCC(N)=O ZINC000072393253 556964308 /nfs/dbraw/zinc/96/43/08/556964308.db2.gz VTWQZTOXOGJCTA-QGZVFWFLSA-N 1 0 449.511 2.084 40 0 IEABRO Cc1cnccc1C[NH+]1CCC(c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccnc2)CC3)CC1 ZINC000072398755 556970779 /nfs/dbraw/zinc/97/07/79/556970779.db2.gz OGSWPZHRIVGOHZ-UHFFFAOYSA-N 1 0 444.539 2.446 40 0 IEABRO O=C(C[C@@H]1C=CCC1)N1CCc2nc(C3CC[NH+](C4CCOCC4)CC3)[nH]c(=O)c2C1 ZINC000072398891 556971044 /nfs/dbraw/zinc/97/10/44/556971044.db2.gz KLGVZCLRDHWJCB-QGZVFWFLSA-N 1 0 426.561 2.369 40 0 IEABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3nonc3C)[nH]c(=O)c2C1 ZINC000072398804 556971118 /nfs/dbraw/zinc/97/11/18/556971118.db2.gz DVJYBYPHSYSWLM-MRXNPFEDSA-N 1 0 440.529 2.367 40 0 IEABRO CC(C)S(=O)(=O)N1CCC(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)CC1 ZINC000072398978 556971228 /nfs/dbraw/zinc/97/12/28/556971228.db2.gz QBIDWBPPCHNXAC-UHFFFAOYSA-N 1 0 436.603 2.307 40 0 IEABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000585106176 557039492 /nfs/dbraw/zinc/03/94/92/557039492.db2.gz AQAYOMFBRLONJG-AHRSYUTCSA-N 1 0 435.590 2.085 40 0 IEABRO C[NH+](C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O ZINC000585106600 557040467 /nfs/dbraw/zinc/04/04/67/557040467.db2.gz CPZWSCXEGGLCMU-URXFXBBRSA-N 1 0 425.504 2.225 40 0 IEABRO C[NH+](C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O ZINC000585107022 557041387 /nfs/dbraw/zinc/04/13/87/557041387.db2.gz OJZIKLNMDMVCCO-WIOPSUGQSA-N 1 0 439.531 2.153 40 0 IEABRO C[NH+]1CCN(CCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 ZINC000022933941 557051601 /nfs/dbraw/zinc/05/16/01/557051601.db2.gz UUEZSABQAWYFNS-QHCPKHFHSA-N 1 0 442.585 2.421 40 0 IEABRO CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCOC ZINC000006193007 557148109 /nfs/dbraw/zinc/14/81/09/557148109.db2.gz RQNUHYAVSFIHQW-UHFFFAOYSA-N 1 0 448.589 2.312 40 0 IEABRO COc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CC[NH+](Cc4cccnc4)CC3)O2)c1 ZINC000096036645 557163806 /nfs/dbraw/zinc/16/38/06/557163806.db2.gz ULGWLYALDQKDHH-JOCHJYFZSA-N 1 0 447.539 2.493 40 0 IEABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)C1CCOCC1)CCC2 ZINC000096056096 557166895 /nfs/dbraw/zinc/16/68/95/557166895.db2.gz ANIXOSLICPUJMD-YKSBVNFPSA-N 1 0 429.561 2.420 40 0 IEABRO Cc1noc(C)c1CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC[NH+](C)C)[C@H]2CC1 ZINC000096145918 557175981 /nfs/dbraw/zinc/17/59/81/557175981.db2.gz MQOFJWRGFKXZIC-PMACEKPBSA-N 1 0 448.589 2.269 40 0 IEABRO C[NH+]1CCC(Oc2ccc(CNC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000096234481 557185290 /nfs/dbraw/zinc/18/52/90/557185290.db2.gz MSPLIWFHDWCAMF-UHFFFAOYSA-N 1 0 431.558 2.242 40 0 IEABRO Cc1ccoc1C(=O)N1CCC[C@]2(C(=O)NCC3CC3)C[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251458 557188549 /nfs/dbraw/zinc/18/85/49/557188549.db2.gz CTMCHYZGGDBPCM-YKSBVNFPSA-N 1 0 439.560 2.202 40 0 IEABRO CCCCCn1c(N2CC[NH+](CCCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000096306421 557195789 /nfs/dbraw/zinc/19/57/89/557195789.db2.gz QZLKWFPOMPMMDH-UHFFFAOYSA-N 1 0 438.576 2.368 40 0 IEABRO C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000247955995 557198436 /nfs/dbraw/zinc/19/84/36/557198436.db2.gz MECHLOOAVALOHP-GZWQZJJLSA-N 1 0 440.297 2.390 40 0 IEABRO C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)Cn1ccnc1 ZINC000585262439 557201804 /nfs/dbraw/zinc/20/18/04/557201804.db2.gz KGOMDKCJKLTKEC-HTDNTCHWSA-N 1 0 438.503 2.220 40 0 IEABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccc(OCCO)c(OC)c3)C2)cc1 ZINC000585269632 557212218 /nfs/dbraw/zinc/21/22/18/557212218.db2.gz DPGDEQJMBMSFFG-XMMPIXPASA-N 1 0 430.545 2.144 40 0 IEABRO COc1cc(CN2CCC[C@@]2(C)C(=O)NCCO)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585273452 557215959 /nfs/dbraw/zinc/21/59/59/557215959.db2.gz OKWRUBIBRIKSJE-DEOSSOPVSA-N 1 0 433.593 2.269 40 0 IEABRO C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585274214 557218497 /nfs/dbraw/zinc/21/84/97/557218497.db2.gz UQWLBXQOIKGVQV-XMMPIXPASA-N 1 0 444.551 2.005 40 0 IEABRO C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585274211 557218556 /nfs/dbraw/zinc/21/85/56/557218556.db2.gz UQWLBXQOIKGVQV-DEOSSOPVSA-N 1 0 444.551 2.005 40 0 IEABRO O[C@H]1CC[N@H+](CC2(O)CCN(c3ccccc3F)CC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585281858 557220064 /nfs/dbraw/zinc/22/00/64/557220064.db2.gz CVSFTGMGHJVVLK-UPVQGACJSA-N 1 0 448.510 2.173 40 0 IEABRO Cc1ccc(N2CCC(O)(C[N@@H+]3CC[C@H](O)[C@@](O)(COc4ccc(F)cc4)C3)CC2)cc1 ZINC000585284146 557221288 /nfs/dbraw/zinc/22/12/88/557221288.db2.gz VHWHNPPWRLXARL-ZCYQVOJMSA-N 1 0 444.547 2.342 40 0 IEABRO CS(=O)(=O)N1CCCC[C@@H]2[C@H]1CCC[N@@H+]2CC1(O)CCN(c2ccc(F)cc2)CC1 ZINC000585282283 557221695 /nfs/dbraw/zinc/22/16/95/557221695.db2.gz CRDPIYNNYYPUIQ-NHCUHLMSSA-N 1 0 439.597 2.436 40 0 IEABRO COc1ccc(CC[NH2+]C[C@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@H]2O)cc1OC ZINC000585283682 557223092 /nfs/dbraw/zinc/22/30/92/557223092.db2.gz BOHCNCUDKKWCBC-GGAORHGYSA-N 1 0 448.947 2.127 40 0 IEABRO COc1cc(C[NH2+]C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc(OC)c1 ZINC000585286347 557225204 /nfs/dbraw/zinc/22/52/04/557225204.db2.gz ZDSXOFHAURURLE-UNMCSNQZSA-N 1 0 434.920 2.085 40 0 IEABRO C[N@@H+](CC1(c2ccccc2)CCCC1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585290923 557228355 /nfs/dbraw/zinc/22/83/55/557228355.db2.gz HHCGRCLXARPDOZ-VWNXMTODSA-N 1 0 444.597 2.227 40 0 IEABRO COc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C(=O)NC(C)C ZINC000113946179 557380800 /nfs/dbraw/zinc/38/08/00/557380800.db2.gz UZYTXFBSFIOURB-UHFFFAOYSA-N 1 0 446.573 2.386 40 0 IEABRO COc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1N1CCCC1=O ZINC000113949607 557381114 /nfs/dbraw/zinc/38/11/14/557381114.db2.gz WOGVVMZACWUVQQ-UHFFFAOYSA-N 1 0 444.557 2.375 40 0 IEABRO C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000113957743 557381753 /nfs/dbraw/zinc/38/17/53/557381753.db2.gz LXXYHOFWAZRHJC-INIZCTEOSA-N 1 0 434.537 2.371 40 0 IEABRO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000222785210 557386841 /nfs/dbraw/zinc/38/68/41/557386841.db2.gz NFINTGDAUMIQAJ-HXUWFJFHSA-N 1 0 425.595 2.478 40 0 IEABRO COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000223188329 557443146 /nfs/dbraw/zinc/44/31/46/557443146.db2.gz FOWGSXVHEIWWOY-UHFFFAOYSA-N 1 0 447.557 2.427 40 0 IEABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc3ccc(OC)cc3[nH]c2=O)CC1 ZINC000019499624 557499668 /nfs/dbraw/zinc/49/96/68/557499668.db2.gz OVNQNZGFCXBLLE-HXUWFJFHSA-N 1 0 439.564 2.395 40 0 IEABRO Cc1ccc(CN(CC(=O)NCCC[N@@H+]2CCc3ccccc3C2)S(C)(=O)=O)cc1 ZINC000224176835 557571055 /nfs/dbraw/zinc/57/10/55/557571055.db2.gz UCJCUDQDJVCPRM-UHFFFAOYSA-N 1 0 429.586 2.321 40 0 IEABRO CN(C)S(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1F ZINC000224621316 557632018 /nfs/dbraw/zinc/63/20/18/557632018.db2.gz ROAFWQSFKJNTDP-UHFFFAOYSA-N 1 0 448.564 2.351 40 0 IEABRO CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1F ZINC000224785273 557651137 /nfs/dbraw/zinc/65/11/37/557651137.db2.gz YAWFONVJGDGLOA-UHFFFAOYSA-N 1 0 448.564 2.351 40 0 IEABRO C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000225284819 557708878 /nfs/dbraw/zinc/70/88/78/557708878.db2.gz PBEKBQSRAZWHCU-KRWDZBQOSA-N 1 0 446.573 2.240 40 0 IEABRO CC(=O)N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(-c3ccc(F)cc3)on2)CC1 ZINC000015673276 560230645 /nfs/dbraw/zinc/23/06/45/560230645.db2.gz QZBXSRAUGWBSFM-OALUTQOASA-N 1 0 428.508 2.330 40 0 biogenic,in-vitro IEABRO COCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(c3ccc(F)cc3)CC2)no1 ZINC000015673444 560230655 /nfs/dbraw/zinc/23/06/55/560230655.db2.gz BYJFVJDVZCOFIM-ROUUACIJSA-N 1 0 430.524 2.467 40 0 biogenic,in-vitro IEABRO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1)c1cccc(F)c1 ZINC000585262317 568616200 /nfs/dbraw/zinc/61/62/00/568616200.db2.gz WFCHEHAPKLBUNZ-CZYKHXBRSA-N 1 0 432.467 2.101 40 0 IEABRO COc1cc(Cl)cc2cc(C(=O)N3CC[C@H](O)[C@@H](N4CCN(C(C)=O)CC4)CC3)oc21 ZINC000257227330 568677662 /nfs/dbraw/zinc/67/76/62/568677662.db2.gz FOUCSHYFRUXZFK-ROUUACIJSA-N 1 0 449.935 2.224 40 0 IEABRO CN(C[C@@]1(O)CCCN(c2ccnc3cccnc32)C1)C(=O)c1cccc(OCCC[NH3+])c1 ZINC000257244218 568685871 /nfs/dbraw/zinc/68/58/71/568685871.db2.gz IKKCPKJFTMZYBY-VWLOTQADSA-N 1 0 449.555 2.461 40 0 IEABRO CN(CC1(O)CCN(c2cccc3nccn32)CC1)C(=O)c1cccc(OCCC[NH3+])c1 ZINC000257265032 568695672 /nfs/dbraw/zinc/69/56/72/568695672.db2.gz LWZHZOUQGNPYPC-UHFFFAOYSA-N 1 0 437.544 2.165 40 0 IEABRO CN(CC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)c1cccc(OCCC[NH3+])c1 ZINC000257266501 568696238 /nfs/dbraw/zinc/69/62/38/568696238.db2.gz MDGWDKHNCBPGKX-UHFFFAOYSA-N 1 0 449.555 2.461 40 0 IEABRO CNc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)ncn1 ZINC000257282554 568703341 /nfs/dbraw/zinc/70/33/41/568703341.db2.gz OUFLYLBALJIUPJ-XMMPIXPASA-N 1 0 438.576 2.266 40 0 IEABRO NC(=O)c1cnn2c1nccc2[C@H]1CCCN1C(=O)COc1ccc(C[NH+]2CCCC2)cc1 ZINC000257288829 568706155 /nfs/dbraw/zinc/70/61/55/568706155.db2.gz PVWTTWOUVHVZHP-HXUWFJFHSA-N 1 0 448.527 2.167 40 0 IEABRO C[N@@H+]1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257319927 568719870 /nfs/dbraw/zinc/71/98/70/568719870.db2.gz VUQIOLXKDGNLEP-NRFANRHFSA-N 1 0 432.572 2.468 40 0 IEABRO COc1ccc(-c2cc(C(=O)N3CCC4(CC3)C[C@H]([NH+](C)C)[C@@](C)(O)CO4)nn2C)cc1 ZINC000257335140 568726462 /nfs/dbraw/zinc/72/64/62/568726462.db2.gz YIVKTBCYJYVFDN-GMAHTHKFSA-N 1 0 442.560 2.172 40 0 IEABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@H+](Cc3cccc(Cl)c3)C2)cs1 ZINC000306123367 568762808 /nfs/dbraw/zinc/76/28/08/568762808.db2.gz ALFXJEOIJNIDMF-OAQYLSRUSA-N 1 0 443.960 2.419 40 0 IEABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@H+](Cc3ccc(Cl)cc3)C2)cs1 ZINC000306125039 568763680 /nfs/dbraw/zinc/76/36/80/568763680.db2.gz CFJDUXRZTMZBBK-OAQYLSRUSA-N 1 0 443.960 2.419 40 0 IEABRO Cc1ccccc1CC(=O)N1CCC2(CC1)C[N@H+](C)C[C@H](C(=O)NCc1ccco1)O2 ZINC000306128085 568764950 /nfs/dbraw/zinc/76/49/50/568764950.db2.gz GPSZUAIJTNDTQX-OAQYLSRUSA-N 1 0 425.529 2.139 40 0 IEABRO COc1ccc(C[N@@H+]2CC[C@@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)cc1 ZINC000306128973 568765425 /nfs/dbraw/zinc/76/54/25/568765425.db2.gz HPWCNQFQONIFFW-XMMPIXPASA-N 1 0 436.487 2.049 40 0 IEABRO Cc1ccc(C[N@@H+]2CC[C@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)s1 ZINC000306130511 568766058 /nfs/dbraw/zinc/76/60/58/568766058.db2.gz JIRNUIOUBWMRII-QFIPXVFZSA-N 1 0 426.517 2.411 40 0 IEABRO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@@H+](Cc3ccc(F)cc3)C1)C2 ZINC000306131616 568766962 /nfs/dbraw/zinc/76/69/62/568766962.db2.gz KKAUNBLNAGHEKK-HSZRJFAPSA-N 1 0 428.508 2.299 40 0 IEABRO COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000306134816 568768698 /nfs/dbraw/zinc/76/86/98/568768698.db2.gz NYQYYQAAOBXWDQ-UHFFFAOYSA-N 1 0 439.495 2.391 40 0 IEABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4cccnc4OC)C[C@@H]2C3)cc1 ZINC000306135407 568769006 /nfs/dbraw/zinc/76/90/06/568769006.db2.gz OPZZYQAJTFWXKK-IRXDYDNUSA-N 1 0 434.500 2.247 40 0 IEABRO Cc1ncsc1C[N@@H+]1CC[C@H]2C(N3CCN(C(=O)c4ccccc4)CC3)=NO[C@@H]2C1 ZINC000306140442 568771701 /nfs/dbraw/zinc/77/17/01/568771701.db2.gz UTUGCDBRRGZVBK-RTBURBONSA-N 1 0 425.558 2.444 40 0 IEABRO O=C1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100227727 568791542 /nfs/dbraw/zinc/79/15/42/568791542.db2.gz QXPAJEDHDJWFNJ-IBGZPJMESA-N 1 0 447.944 2.415 40 0 IEABRO CC[NH+](CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc21 ZINC000575426096 568865481 /nfs/dbraw/zinc/86/54/81/568865481.db2.gz MMPUDUGMLMZRFZ-GOSISDBHSA-N 1 0 439.603 2.145 40 0 IEABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCN(C(=O)C[NH+]3CCCCC3)C2)n1 ZINC000019694785 569229207 /nfs/dbraw/zinc/22/92/07/569229207.db2.gz FNVPIIJIUFNAPI-IBGZPJMESA-N 1 0 436.560 2.110 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)c3ccccc3OC)CC1)C2=O ZINC000019699364 569230359 /nfs/dbraw/zinc/23/03/59/569230359.db2.gz HUYNTUQCBZXDNK-UHFFFAOYSA-N 1 0 428.533 2.096 40 0 IEABRO O=C(c1ccncc1)N1CCC[C@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699336 569230477 /nfs/dbraw/zinc/23/04/77/569230477.db2.gz SBJSILPBZIUZHO-NRFANRHFSA-N 1 0 447.539 2.273 40 0 IEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3F)C1)C2=O ZINC000019699704 569230704 /nfs/dbraw/zinc/23/07/04/569230704.db2.gz BIQVWUXYCYNZIU-IBGZPJMESA-N 1 0 444.551 2.402 40 0 IEABRO O=C(C1CCC1)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699852 569230884 /nfs/dbraw/zinc/23/08/84/569230884.db2.gz IIYDCDOSWLZRCF-OAQYLSRUSA-N 1 0 438.572 2.407 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccc(C)cc3)C1)C2=O ZINC000019699929 569230891 /nfs/dbraw/zinc/23/08/91/569230891.db2.gz JFJVCVALJXVVGT-FQEVSTJZSA-N 1 0 426.561 2.325 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3OC)C1)C2=O ZINC000019700031 569231049 /nfs/dbraw/zinc/23/10/49/569231049.db2.gz QYGQAKCJLDSAGS-LJQANCHMSA-N 1 0 442.560 2.025 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccccc3OC)C1)C2=O ZINC000019700010 569231050 /nfs/dbraw/zinc/23/10/50/569231050.db2.gz MIEKBBOWXCTGKK-KRWDZBQOSA-N 1 0 428.533 2.096 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3ccc(C)nc3)CC1)C2=O ZINC000019700672 569231257 /nfs/dbraw/zinc/23/12/57/569231257.db2.gz GQDJVNILAALXJR-UHFFFAOYSA-N 1 0 427.549 2.039 40 0 IEABRO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)C[NH+]2CCCCC2)CCO1 ZINC000019702941 569232525 /nfs/dbraw/zinc/23/25/25/569232525.db2.gz QVIFNZABHBOCCZ-KRWDZBQOSA-N 1 0 446.573 2.058 40 0 IEABRO Cc1nn2c(nccc2[C@@H]2CN(C(=O)Cc3ccccc3)CCO2)c1C[NH+]1CCC(O)CC1 ZINC000019707718 569234471 /nfs/dbraw/zinc/23/44/71/569234471.db2.gz LSWITWXBQVGRRA-QHCPKHFHSA-N 1 0 449.555 2.137 40 0 IEABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C2)ncc1C(N)=O ZINC000019763691 569237981 /nfs/dbraw/zinc/23/79/81/569237981.db2.gz MJRAIGICJVGDGA-LJQANCHMSA-N 1 0 437.544 2.265 40 0 IEABRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)c(N)n2)CC1 ZINC000019765913 569239053 /nfs/dbraw/zinc/23/90/53/569239053.db2.gz JQJFOANWNNQDEE-QGZVFWFLSA-N 1 0 443.592 2.011 40 0 IEABRO CN(Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C2CCCCC2)nn1)Cc1ccccc1 ZINC000005399050 291332781 /nfs/dbraw/zinc/33/27/81/291332781.db2.gz TVFIKMCUMFPPTD-MYDTUXCISA-N 1 0 439.560 2.314 40 0 biogenic,in-vitro IEABRO COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH2+]C3CCN(C)CC3)CN(C)C(=O)C2)cc1 ZINC000096113453 291335722 /nfs/dbraw/zinc/33/57/22/291335722.db2.gz XREJMXZXGBRPJD-TZIWHRDSSA-N 1 0 430.593 2.012 40 0 biogenic,in-vitro IEABRO CCOc1cc(C[N@@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCC(N)=O ZINC000012275576 520699708 /nfs/dbraw/zinc/69/97/08/520699708.db2.gz JHLQYFXDYHIAOP-KRWDZBQOSA-N 1 0 438.532 2.262 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCN(Cc3ccccc3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020674676 521279848 /nfs/dbraw/zinc/27/98/48/521279848.db2.gz FXLXXRLTQAYOKT-RTWAWAEBSA-N 1 0 438.503 2.350 40 0 IEABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(S(=O)(=O)CCc1ccccc1)CC2 ZINC000072345730 522687472 /nfs/dbraw/zinc/68/74/72/522687472.db2.gz MGDGSZYBJRPKOW-GOSISDBHSA-N 1 0 429.590 2.258 40 0 IEABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1OC ZINC000408710146 556116932 /nfs/dbraw/zinc/11/69/32/556116932.db2.gz QDMWLJVHTLIBMK-GOSISDBHSA-N 1 0 438.528 2.164 40 0 IEABRO COc1ccc(OC)c(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010111374 556325869 /nfs/dbraw/zinc/32/58/69/556325869.db2.gz DNSJBZCTSMDRJZ-UHFFFAOYSA-N 1 0 449.573 2.275 40 0 IEABRO O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000031524937 556524107 /nfs/dbraw/zinc/52/41/07/556524107.db2.gz XWIAPTYRVFPCQN-UHFFFAOYSA-N 1 0 427.526 2.133 40 0 IEABRO CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000013649078 556545056 /nfs/dbraw/zinc/54/50/56/556545056.db2.gz HPTBDEHJLUPWOK-UHFFFAOYSA-N 1 0 437.537 2.488 40 0 IEABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 ZINC000044907738 556680110 /nfs/dbraw/zinc/68/01/10/556680110.db2.gz IGGJIKNLGHVDFF-KHYOSLBOSA-N 1 0 443.997 2.351 40 0 IEABRO C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)CC1 ZINC000257207395 556702041 /nfs/dbraw/zinc/70/20/41/556702041.db2.gz BHNZCISRLCTLSJ-XMMPIXPASA-N 1 0 441.551 2.018 40 0 IEABRO O=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000257339741 556706971 /nfs/dbraw/zinc/70/69/71/556706971.db2.gz ZCZRBLVCUHNDGZ-XMMPIXPASA-N 1 0 439.560 2.103 40 0 IEABRO Cc1ccn(CCC(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000257251989 556711596 /nfs/dbraw/zinc/71/15/96/556711596.db2.gz JTDQWJRUINNBET-SONWIMMPSA-N 1 0 440.588 2.272 40 0 IEABRO Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@]3(O)CCCN(c4ncccn4)C3)cc2)n1 ZINC000257274109 556714020 /nfs/dbraw/zinc/71/40/20/556714020.db2.gz NJPNKVHXEQJGDC-XMMPIXPASA-N 1 0 436.560 2.490 40 0 IEABRO O=C([C@@H]1CCCO1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343625 556741387 /nfs/dbraw/zinc/74/13/87/556741387.db2.gz ZJIIOYLHBBGZEX-KXBFYZLASA-N 1 0 428.558 2.275 40 0 IEABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@H+](CC4=CCCOC4)C3)nc2C1 ZINC000019347682 556743568 /nfs/dbraw/zinc/74/35/68/556743568.db2.gz XYKWUNJHFCVJNO-KRWDZBQOSA-N 1 0 438.503 2.244 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000019448202 556757394 /nfs/dbraw/zinc/75/73/94/556757394.db2.gz WDSWYAGJROIZHG-FQEVSTJZSA-N 1 0 446.573 2.461 40 0 IEABRO COc1ccc(OCC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000019448236 556757682 /nfs/dbraw/zinc/75/76/82/556757682.db2.gz WKAWHENIQLTWKK-HXUWFJFHSA-N 1 0 426.517 2.288 40 0 IEABRO CC(C)S(=O)(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019451036 556761866 /nfs/dbraw/zinc/76/18/66/556761866.db2.gz HYGXQTNMJCHLLJ-OAHLLOKOSA-N 1 0 436.603 2.307 40 0 IEABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN(S(=O)(=O)N(C)C)C4)[nH]c(=O)c3C2)CC1 ZINC000019495969 556768829 /nfs/dbraw/zinc/76/88/29/556768829.db2.gz HJKOHZLEYWHRHS-AQFXKWCLSA-N 1 0 437.610 2.105 40 0 IEABRO CCc1ccc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019522877 556780209 /nfs/dbraw/zinc/78/02/09/556780209.db2.gz VDXBRRIOVOGLFH-SFHVURJKSA-N 1 0 430.574 2.030 40 0 IEABRO Cc1sc2ncn(CC3(O)CC[NH+](CC(=O)N4CCC(C)CC4)CC3)c(=O)c2c1C ZINC000019561437 556802917 /nfs/dbraw/zinc/80/29/17/556802917.db2.gz VSQJPXCBHIQJIM-UHFFFAOYSA-N 1 0 432.590 2.160 40 0 IEABRO COc1ccccc1C1(O)CC[NH+](Cc2ccc(OCC(=O)N3CCOCC3)cc2)CC1 ZINC000019569262 556809417 /nfs/dbraw/zinc/80/94/17/556809417.db2.gz IYZONFARVDWUQB-UHFFFAOYSA-N 1 0 440.540 2.416 40 0 IEABRO CNC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2OC)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019591947 556827912 /nfs/dbraw/zinc/82/79/12/556827912.db2.gz RULNJEPCXBEDTB-QZTJIDSGSA-N 1 0 425.533 2.056 40 0 IEABRO COCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019593206 556829407 /nfs/dbraw/zinc/82/94/07/556829407.db2.gz HSJIKIQBOOFLHJ-KRWDZBQOSA-N 1 0 428.508 2.210 40 0 IEABRO COCCOc1cc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)ccc1OC ZINC000019593629 556829672 /nfs/dbraw/zinc/82/96/72/556829672.db2.gz WBYDHZBDZLAMJS-UHFFFAOYSA-N 1 0 436.512 2.467 40 0 IEABRO COCCOc1cc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)ccc1OC ZINC000019593621 556829842 /nfs/dbraw/zinc/82/98/42/556829842.db2.gz UVOMCOFYEWXHDU-GOSISDBHSA-N 1 0 439.520 2.076 40 0 IEABRO COCCOc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)cc1OC ZINC000019593761 556830035 /nfs/dbraw/zinc/83/00/35/556830035.db2.gz PYGNJLCBCBEQEY-UHFFFAOYSA-N 1 0 428.533 2.005 40 0 IEABRO CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)C[NH+]3CCCCCC3)n2)CC1=O ZINC000019697409 556854497 /nfs/dbraw/zinc/85/44/97/556854497.db2.gz WPQJRPUFUKHVSD-SFHVURJKSA-N 1 0 430.597 2.101 40 0 IEABRO O=C(c1cnc(N2CCOCC2)nc1CC[NH2+]Cc1ccnc2ccccc12)N1CCCC1 ZINC000019697754 556855541 /nfs/dbraw/zinc/85/55/41/556855541.db2.gz MBXUQGLTENOWIF-UHFFFAOYSA-N 1 0 446.555 2.430 40 0 IEABRO CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3cccc(F)c3)CC1)C2=O ZINC000019699510 556858855 /nfs/dbraw/zinc/85/88/55/556858855.db2.gz YOCODADJIAWCAT-UHFFFAOYSA-N 1 0 432.496 2.333 40 0 IEABRO CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3ccccc3F)CC1)C2=O ZINC000019699431 556858876 /nfs/dbraw/zinc/85/88/76/556858876.db2.gz XMCRAQXPANQOOC-UHFFFAOYSA-N 1 0 430.524 2.359 40 0 IEABRO O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1[C@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000019699647 556859423 /nfs/dbraw/zinc/85/94/23/556859423.db2.gz HHCYRDDPUWHSRI-FQEVSTJZSA-N 1 0 436.560 2.003 40 0 IEABRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 ZINC000019701060 556860947 /nfs/dbraw/zinc/86/09/47/556860947.db2.gz DMDNNLHHQRCVAP-IBGZPJMESA-N 1 0 436.560 2.138 40 0 IEABRO CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC000019710284 556872213 /nfs/dbraw/zinc/87/22/13/556872213.db2.gz MBWBECIQQWRKCO-UHFFFAOYSA-N 1 0 442.608 2.249 40 0 IEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CN(S(=O)(=O)c1ccc(OC)cc1)CC2 ZINC000019710491 556873476 /nfs/dbraw/zinc/87/34/76/556873476.db2.gz KTHQSHFZHMHDEN-UHFFFAOYSA-N 1 0 431.562 2.083 40 0 IEABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)CC1(NC(C)=O)CCCCC1)CC2 ZINC000019710548 556874008 /nfs/dbraw/zinc/87/40/08/556874008.db2.gz RTCYREBKTZNKQN-GOSISDBHSA-N 1 0 442.608 2.441 40 0 IEABRO CC[C@H](C(=O)N1CCC(c2nc3c(c(NC)n2)CCN(C(C)=O)C3)CC1)[NH+]1CCCC1 ZINC000019710957 556875133 /nfs/dbraw/zinc/87/51/33/556875133.db2.gz LEUAEDMUZSMBGD-HXUWFJFHSA-N 1 0 428.581 2.003 40 0 IEABRO COCCn1c2nc([C@H]3CCC[N@H+](Cc4ccc(OC)cc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743589 556888209 /nfs/dbraw/zinc/88/82/09/556888209.db2.gz JHWKDWBWYDICTA-SFHVURJKSA-N 1 0 438.528 2.130 40 0 IEABRO Cc1nc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F ZINC000019743742 556888712 /nfs/dbraw/zinc/88/87/12/556888712.db2.gz FWDTXMNIDMCDDV-GOSISDBHSA-N 1 0 439.535 2.324 40 0 IEABRO O=C(Cn1cccc(C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)c1=O)NCc1ccccc1 ZINC000019745676 556892098 /nfs/dbraw/zinc/89/20/98/556892098.db2.gz IBQNUHNNLDYFCH-NRFANRHFSA-N 1 0 436.556 2.255 40 0 IEABRO O=C(Cn1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCC3)C2)ccc1=O)NCc1ccccc1 ZINC000019751014 556895055 /nfs/dbraw/zinc/89/50/55/556895055.db2.gz SMYLMWRJPDKGHC-NRFANRHFSA-N 1 0 436.556 2.113 40 0 IEABRO COCCNC(=O)c1cc([C@@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)nc2ccccc21 ZINC000019761370 556904840 /nfs/dbraw/zinc/90/48/40/556904840.db2.gz KSBHGMNOWIIFEI-GOSISDBHSA-N 1 0 434.544 2.457 40 0 IEABRO COc1cccc(C[N@@H+]2C[C@H](C(=O)N(C)C)[C@@]3(C2)CCc2ccc(OC)cc2C(=O)N3)c1 ZINC000072334372 556906907 /nfs/dbraw/zinc/90/69/07/556906907.db2.gz KPZSPOLZFQWXKS-RDGATRHJSA-N 1 0 437.540 2.339 40 0 IEABRO Cc1cc2c(cc1C[N@H+]1CCC[C@H](c3ncc(C(=O)N(C)C)c(C)n3)C1)n(C)c(=O)n2C ZINC000019763058 556908029 /nfs/dbraw/zinc/90/80/29/556908029.db2.gz MTCQRYADHFQNLA-KRWDZBQOSA-N 1 0 436.560 2.365 40 0 IEABRO COC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000019818043 556920494 /nfs/dbraw/zinc/92/04/94/556920494.db2.gz LNZNCYCIMHBZSR-OALUTQOASA-N 1 0 426.904 2.478 40 0 IEABRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OCC(N)=O ZINC000072392983 556964434 /nfs/dbraw/zinc/96/44/34/556964434.db2.gz LMSRNCGXBVDDCT-GOSISDBHSA-N 1 0 449.511 2.084 40 0 IEABRO O=C(NC1CC2(C1)CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2)[C@@H]1CCCS1(=O)=O ZINC000585102760 557036882 /nfs/dbraw/zinc/03/68/82/557036882.db2.gz DZFXNSNKKQAPHU-NRFANRHFSA-N 1 0 442.585 2.310 40 0 IEABRO COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCC(C)C)C[C@@H]23)c1 ZINC000585106129 557039507 /nfs/dbraw/zinc/03/95/07/557039507.db2.gz PEILDGSEWJMTSR-RTWAWAEBSA-N 1 0 429.561 2.403 40 0 IEABRO Cn1cnc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2CC[NH+]2CCCC2)n1 ZINC000585106363 557039826 /nfs/dbraw/zinc/03/98/26/557039826.db2.gz CNHUCGNODPEQAH-UHFFFAOYSA-N 1 0 447.543 2.298 40 0 IEABRO C[NH+]1CCN(CCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 ZINC000022933945 557051591 /nfs/dbraw/zinc/05/15/91/557051591.db2.gz UUEZSABQAWYFNS-HSZRJFAPSA-N 1 0 442.585 2.421 40 0 IEABRO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000022933927 557051663 /nfs/dbraw/zinc/05/16/63/557051663.db2.gz BEEZDGFJETZPOE-UHFFFAOYSA-N 1 0 444.601 2.187 40 0 IEABRO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCCN3CC[NH+](C)CC3)ccc2C)cc1 ZINC000022935072 557052428 /nfs/dbraw/zinc/05/24/28/557052428.db2.gz QZLLCPBAAQDVJK-UHFFFAOYSA-N 1 0 444.601 2.472 40 0 IEABRO COCCN1CC2(CC[NH+](Cc3cccnc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037178 557164450 /nfs/dbraw/zinc/16/44/50/557164450.db2.gz CELIXQNIJUOBLC-UHFFFAOYSA-N 1 0 431.558 2.394 40 0 IEABRO Cn1cc(CN2C[C@@H]3C[N@H+](Cc4cccs4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056186 557167234 /nfs/dbraw/zinc/16/72/34/557167234.db2.gz QWHNWAPTHNQHOJ-REWPJTCUSA-N 1 0 443.617 2.055 40 0 IEABRO Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cccs4)CCC[C@]3(C(=O)NCC3CC3)C2)cn1 ZINC000096083086 557168622 /nfs/dbraw/zinc/16/86/22/557168622.db2.gz ICONDUPKPLCORW-XXBNENTESA-N 1 0 441.601 2.362 40 0 IEABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(C(=O)NCc1ccc(OC)cc1)CC3 ZINC000096143872 557171362 /nfs/dbraw/zinc/17/13/62/557171362.db2.gz CSJSMUXFAFVHNA-GBXCKJPGSA-N 1 0 428.577 2.465 40 0 IEABRO CCC(CC)C(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC[NH+](C)C)[C@H]2CC1 ZINC000096145910 557175970 /nfs/dbraw/zinc/17/59/70/557175970.db2.gz NMXWFLPHQSBQER-OALUTQOASA-N 1 0 437.606 2.427 40 0 IEABRO CCc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NC[C@H]2CCCO2)Cn2ccnc23)o1 ZINC000096243760 557187624 /nfs/dbraw/zinc/18/76/24/557187624.db2.gz ZZQAFMSPQOYOTQ-QUCCMNQESA-N 1 0 428.533 2.224 40 0 IEABRO COc1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCCN3CCOCC3)cc2)c1 ZINC000585271417 557214573 /nfs/dbraw/zinc/21/45/73/557214573.db2.gz FQASGTIIDMMYGA-NRFANRHFSA-N 1 0 430.545 2.278 40 0 IEABRO CS(=O)(=O)N1CCCC[C@H]2C[N@H+](CC3(O)CCN(c4ccccc4F)CC3)CC[C@H]21 ZINC000585282500 557221686 /nfs/dbraw/zinc/22/16/86/557221686.db2.gz FDKUCFVEKYZCTI-AZUAARDMSA-N 1 0 439.597 2.293 40 0 IEABRO CC1CC[NH+](CCCNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 ZINC000010540988 557222499 /nfs/dbraw/zinc/22/24/99/557222499.db2.gz JMULHBJOGDGSEJ-UHFFFAOYSA-N 1 0 439.578 2.200 40 0 IEABRO CN(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1N1CC[NH2+]CC1 ZINC000072210870 557341104 /nfs/dbraw/zinc/34/11/04/557341104.db2.gz VYFYCKXSHDIEAJ-UHFFFAOYSA-N 1 0 425.352 2.074 40 0 IEABRO C[NH+]1CCN(c2ccc(NC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)CC1 ZINC000113939062 557379716 /nfs/dbraw/zinc/37/97/16/557379716.db2.gz RUAPSWMGMXDRPI-UHFFFAOYSA-N 1 0 438.500 2.121 40 0 IEABRO CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000224773204 557650166 /nfs/dbraw/zinc/65/01/66/557650166.db2.gz UTRDGLLNJFBFOR-UHFFFAOYSA-N 1 0 430.574 2.212 40 0 IEABRO O=c1sc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc2n1Cc1ccccc1 ZINC000225749629 557772599 /nfs/dbraw/zinc/77/25/99/557772599.db2.gz CAQCDJMFJNMSHS-UHFFFAOYSA-N 1 0 447.582 2.112 40 0 IEABRO CC(=O)N1CCC([NH2+]C[C@H]2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)CC1 ZINC000096269411 560054277 /nfs/dbraw/zinc/05/42/77/560054277.db2.gz KQGYBDARLJNYLG-IBGZPJMESA-N 1 0 426.517 2.211 40 0 biogenic,in-vitro IEABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccc(OCCOCCO)cc3)C2)cc1 ZINC000585269947 568616691 /nfs/dbraw/zinc/61/66/91/568616691.db2.gz QWTWSALFFQAFQO-RUZDIDTESA-N 1 0 444.572 2.152 40 0 IEABRO O=C1NCCN1CCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585270612 568617050 /nfs/dbraw/zinc/61/70/50/568617050.db2.gz ADXMFSWFQQZEFX-DEOSSOPVSA-N 1 0 425.529 2.497 40 0 IEABRO COc1cccc(N2CCC(O)(C[N@@H+]3CCOC[C@](O)(COc4ccccc4)C3)CC2)c1 ZINC000585288272 568619380 /nfs/dbraw/zinc/61/93/80/568619380.db2.gz ZVDYTYYOJXICKA-VWLOTQADSA-N 1 0 442.556 2.169 40 0 IEABRO CC(=O)N[C@]12CN(C(=O)c3ccc(-n4cccn4)nc3)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2 ZINC000257200895 568665410 /nfs/dbraw/zinc/66/54/10/568665410.db2.gz AFHBHDRGMCRUGL-GZGNHOFSSA-N 1 0 444.539 2.291 40 0 IEABRO CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@@H]21 ZINC000257212542 568671114 /nfs/dbraw/zinc/67/11/14/568671114.db2.gz CDXPIWNZGUAZCS-ZSRRYNJHSA-N 1 0 429.561 2.393 40 0 IEABRO C[N@@H+]1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257212837 568671157 /nfs/dbraw/zinc/67/11/57/568671157.db2.gz CFDRDRPGGLOFNO-QGZVFWFLSA-N 1 0 444.539 2.449 40 0 IEABRO C[N@@H+]1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257212836 568671178 /nfs/dbraw/zinc/67/11/78/568671178.db2.gz CFDRDRPGGLOFNO-KRWDZBQOSA-N 1 0 444.539 2.449 40 0 IEABRO O[C@]1(Cn2cccn2)CN(Cc2ccnc(N3CCCC3)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000257225221 568676771 /nfs/dbraw/zinc/67/67/71/568676771.db2.gz FFIVOPGZBCCYHU-VWLOTQADSA-N 1 0 447.587 2.022 40 0 IEABRO CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)ncn1 ZINC000257231911 568679628 /nfs/dbraw/zinc/67/96/28/568679628.db2.gz GIRBXPLNCZYGIN-DEOSSOPVSA-N 1 0 438.576 2.218 40 0 IEABRO CN(C[C@]1(O)CCCN(c2ccnc3cccnc32)C1)C(=O)c1cccc(OCCC[NH3+])c1 ZINC000257244217 568685902 /nfs/dbraw/zinc/68/59/02/568685902.db2.gz IKKCPKJFTMZYBY-RUZDIDTESA-N 1 0 449.555 2.461 40 0 IEABRO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@](O)(Cn3cccn3)C2)cc1NCc1cccnc1 ZINC000257249722 568688429 /nfs/dbraw/zinc/68/84/29/568688429.db2.gz JJMWOZUFSLDVLM-XMMPIXPASA-N 1 0 434.544 2.018 40 0 IEABRO CN(CC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)c1ccc(OCC[NH3+])cc1 ZINC000257261135 568693681 /nfs/dbraw/zinc/69/36/81/568693681.db2.gz LFVUMUOVGAIUQK-UHFFFAOYSA-N 1 0 435.528 2.071 40 0 IEABRO CCN1CCN(CC(=O)Nc2ccn(C)n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257262350 568694211 /nfs/dbraw/zinc/69/42/11/568694211.db2.gz LLBREHHSHIQKBR-OAQYLSRUSA-N 1 0 446.555 2.444 40 0 IEABRO CN(CC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)c1cccc(OCC[NH3+])c1 ZINC000257300875 568711665 /nfs/dbraw/zinc/71/16/65/568711665.db2.gz RWAHRGFMFPRJOW-UHFFFAOYSA-N 1 0 435.528 2.071 40 0 IEABRO Cc1ccc2nccc(N3CCC[C@](O)(CN(C)C(=O)c4ccc(OCC[NH3+])cc4)C3)c2n1 ZINC000257334562 568726205 /nfs/dbraw/zinc/72/62/05/568726205.db2.gz YGLJRCACPFCAPJ-VWLOTQADSA-N 1 0 449.555 2.379 40 0 IEABRO CN1CCn2c(C(=O)NCC(F)(F)F)nnc2C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000306124180 568762983 /nfs/dbraw/zinc/76/29/83/568762983.db2.gz BIJBHKWLNABEEY-UHFFFAOYSA-N 1 0 440.445 2.146 40 0 IEABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@H+](Cc3ccc(Cl)cc3)C2)cs1 ZINC000306125038 568763808 /nfs/dbraw/zinc/76/38/08/568763808.db2.gz CFJDUXRZTMZBBK-NRFANRHFSA-N 1 0 443.960 2.419 40 0 IEABRO O=c1c2c(nc3n1CC1(C3)CC[NH+](Cc3cccs3)CC1)CCN(c1ncccn1)C2 ZINC000306129665 568765970 /nfs/dbraw/zinc/76/59/70/568765970.db2.gz IJEILNGQLOWUEV-UHFFFAOYSA-N 1 0 434.569 2.496 40 0 IEABRO C[NH+](C)CCNc1nc(NC[C@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329010735 568809246 /nfs/dbraw/zinc/80/92/46/568809246.db2.gz MAVJADRHLFHDDL-MRXNPFEDSA-N 1 0 425.455 2.450 40 0 IEABRO CC(C)c1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329057813 568810573 /nfs/dbraw/zinc/81/05/73/568810573.db2.gz VZXXTOHAXWMQCZ-SFHVURJKSA-N 1 0 433.578 2.239 40 0 IEABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022257 568863795 /nfs/dbraw/zinc/86/37/95/568863795.db2.gz AWQDYKVTPRVKJN-HCRVJICOSA-N 1 0 437.471 2.293 40 0 IEABRO CCOCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000057773665 568909192 /nfs/dbraw/zinc/90/91/92/568909192.db2.gz CXNPNFWYIHIFCA-FCHUYYIVSA-N 1 0 439.556 2.102 40 0 IEABRO COc1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)ccc1Cl ZINC000224322364 568918481 /nfs/dbraw/zinc/91/84/81/568918481.db2.gz FQARWEQLHBTTOT-UHFFFAOYSA-N 1 0 432.912 2.329 40 0 IEABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)[C@H]4CCCO4)C3)[nH]c(=O)c2C1 ZINC000248123614 569207205 /nfs/dbraw/zinc/20/72/05/569207205.db2.gz GMGIAKDPRJDNNO-LAUBAEHRSA-N 1 0 438.528 2.244 40 0 IEABRO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](C)C1)N1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000253378296 569208472 /nfs/dbraw/zinc/20/84/72/569208472.db2.gz ZXSIHGQTZVOSAY-NXMSCROESA-N 1 0 427.545 2.202 40 0 IEABRO O=C([C@H]1CCCO1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343630 569226437 /nfs/dbraw/zinc/22/64/37/569226437.db2.gz ZJIIOYLHBBGZEX-HNAYVOBHSA-N 1 0 428.558 2.275 40 0 IEABRO O=C(N[C@@H]1CSC[C@H]1O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372537 569226548 /nfs/dbraw/zinc/22/65/48/569226548.db2.gz QNFKTFHWBYMCQV-XRXFAXGQSA-N 1 0 428.529 2.349 40 0 IEABRO C[C@@H]1Cc2cc([C@@H](O)C[NH+]3CCC(NC(=O)C4CCCC4)CC3)ccc2N1S(C)(=O)=O ZINC000019497859 569226812 /nfs/dbraw/zinc/22/68/12/569226812.db2.gz HLSNKMNTXWKVML-ZHRRBRCNSA-N 1 0 449.617 2.201 40 0 IEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3cccc(F)c3)C1)C2=O ZINC000019699716 569230716 /nfs/dbraw/zinc/23/07/16/569230716.db2.gz JEZPQVMTAZZALF-FQEVSTJZSA-N 1 0 444.551 2.402 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3C)C1)C2=O ZINC000019699936 569230874 /nfs/dbraw/zinc/23/08/74/569230874.db2.gz UAPMLUQGQDWUMV-HXUWFJFHSA-N 1 0 426.561 2.325 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccc(OC)cc3)C1)C2=O ZINC000019699987 569231008 /nfs/dbraw/zinc/23/10/08/569231008.db2.gz PVADPCPXWDTWSZ-SFHVURJKSA-N 1 0 428.533 2.096 40 0 IEABRO CCCC(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699959 569231019 /nfs/dbraw/zinc/23/10/19/569231019.db2.gz ROXLPMNXYWIVKT-FQEVSTJZSA-N 1 0 426.561 2.407 40 0 IEABRO CCCc1cc(C(=O)N2CCC(CN3C(=O)NC4(CC[NH+](CCC)CC4)C3=O)CC2)no1 ZINC000019700685 569231251 /nfs/dbraw/zinc/23/12/51/569231251.db2.gz ADPSYEAXHQJNHQ-UHFFFAOYSA-N 1 0 445.564 2.276 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)COc3ccccc3)CC1)C2=O ZINC000019700698 569231272 /nfs/dbraw/zinc/23/12/72/569231272.db2.gz PCIZPOBWXUKVNB-UHFFFAOYSA-N 1 0 442.560 2.100 40 0 IEABRO Cc1nn2c(nccc2[C@@H]2CCN(C(=O)c3ccccc3)C2)c1C[NH+]1CCC(C(N)=O)CC1 ZINC000019707951 569234675 /nfs/dbraw/zinc/23/46/75/569234675.db2.gz XSFBHICRZCECRO-HXUWFJFHSA-N 1 0 446.555 2.365 40 0 IEABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN(C(=O)CN(C)Cc3ccc(F)cc3)C2)n1 ZINC000019709556 569234720 /nfs/dbraw/zinc/23/47/20/569234720.db2.gz CUBWOWJIKPBQMM-SFHVURJKSA-N 1 0 428.556 2.239 40 0 IEABRO COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCN(C(C)=O)CC3)no2)cc1 ZINC000008623676 291334904 /nfs/dbraw/zinc/33/49/04/291334904.db2.gz LNNRSLVLRBLKGP-PMACEKPBSA-N 1 0 440.544 2.199 40 0 biogenic,in-vitro IEABRO CC[NH+](CC)CCCNC(=S)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000006193068 193889568 /nfs/dbraw/zinc/88/95/68/193889568.db2.gz HXJUIEDDDZTYBJ-UHFFFAOYSA-N 1 0 448.589 2.048 40 0 IEABRO CC(=O)N1CCC[C@@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@H](C)C[NH+](C)C)C1 ZINC000012162941 519546659 /nfs/dbraw/zinc/54/66/59/519546659.db2.gz RKGBEDJZRZNOIE-CGYQNGNCSA-N 1 0 432.540 2.404 40 0 IEABRO CC[NH+]1CCN(CC(=O)N2CCc3c4ccccc4[nH]c3[C@@]23c2ccccc2NC3=O)CC1 ZINC000020636518 521674351 /nfs/dbraw/zinc/67/43/51/521674351.db2.gz XDTIYURVFSMNIQ-AREMUKBSSA-N 1 0 443.551 2.386 40 0 IEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(S(=O)(=O)CCOc1ccccc1)CC2 ZINC000072345733 522689476 /nfs/dbraw/zinc/68/94/76/522689476.db2.gz DTOJFWZUWMIOLL-KRWDZBQOSA-N 1 0 445.589 2.094 40 0 IEABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(OC)c1 ZINC000408710032 556116497 /nfs/dbraw/zinc/11/64/97/556116497.db2.gz MCVQXXAQTQDOPF-GOSISDBHSA-N 1 0 438.528 2.164 40 0 IEABRO CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@]4(c5ccccc5NC4=O)[C@@H]3C2=O)cc1 ZINC000008856519 556227378 /nfs/dbraw/zinc/22/73/78/556227378.db2.gz RDYYNNNAKVQNDY-KCOOYEKVSA-N 1 0 431.448 2.043 40 0 IEABRO CN1CCN(c2nccc(C[N@@H+]3C[C@@H]4CCC[C@](O)(c5ccc(F)cc5)[C@@H]4C3)n2)CC1 ZINC000036719131 556309647 /nfs/dbraw/zinc/30/96/47/556309647.db2.gz UCOUXTFXVNJXJE-ANJVHQHFSA-N 1 0 425.552 2.487 40 0 IEABRO Cc1ccc(N2C(=O)[C@H]3C[NH2+][C@]4(C(=O)Nc5ccc(Br)cc54)[C@@H]3C2=O)cc1 ZINC000010382120 556333828 /nfs/dbraw/zinc/33/38/28/556333828.db2.gz ZWGQGNLBFCJSOG-RISOHXOYSA-N 1 0 426.270 2.314 40 0 IEABRO CS(=O)(=O)N1C[C@@H](C(=O)NCCC[NH+]2CCCCCC2)Oc2ccc(Cl)cc21 ZINC000030872236 556513839 /nfs/dbraw/zinc/51/38/39/556513839.db2.gz DPDAXXYNZCTGHE-SFHVURJKSA-N 1 0 429.970 2.249 40 0 IEABRO C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000072345342 556609693 /nfs/dbraw/zinc/60/96/93/556609693.db2.gz WILDIILMECNOTF-HLAWJBBLSA-N 1 0 438.572 2.263 40 0 IEABRO C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1)N1CCCC1=O ZINC000019077718 556694786 /nfs/dbraw/zinc/69/47/86/556694786.db2.gz HIZNKYMNVCHKJN-IRXDYDNUSA-N 1 0 441.576 2.200 40 0 IEABRO CC(=O)N[C@@H]1CO[C@@H]2CCC[N@@H+](Cc3ccc(OCc4nccn4C)cc3)[C@@H]2C[C@@]1(C)O ZINC000257244251 556710762 /nfs/dbraw/zinc/71/07/62/556710762.db2.gz IKNDHQZXCQCBSB-GBEXAXCTSA-N 1 0 442.560 2.008 40 0 IEABRO Cc1n[nH]c(C)c1CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257246902 556711093 /nfs/dbraw/zinc/71/10/93/556711093.db2.gz IWKCNDSOSGFXLW-SONWIMMPSA-N 1 0 440.588 2.259 40 0 IEABRO C[NH+]1CCC(Cc2ccccc2F)(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)CC1 ZINC000257260279 556712247 /nfs/dbraw/zinc/71/22/47/556712247.db2.gz LCDBAHIJHLDRRA-XMMPIXPASA-N 1 0 441.551 2.018 40 0 IEABRO Cc1cnc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCC(O)CC3)CC2)cn1 ZINC000257307046 556717987 /nfs/dbraw/zinc/71/79/87/556717987.db2.gz SWZOTGGDSLCHNT-LSQMVHIFSA-N 1 0 438.572 2.213 40 0 IEABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 ZINC000260458001 556720707 /nfs/dbraw/zinc/72/07/07/556720707.db2.gz IGGJIKNLGHVDFF-ZRGWGRIASA-N 1 0 443.997 2.351 40 0 IEABRO CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[NH+]3CCCCCC3)[C@]12C ZINC000019450048 556761068 /nfs/dbraw/zinc/76/10/68/556761068.db2.gz VSIUCGUOBGVCMW-DCLXLUIPSA-N 1 0 439.560 2.112 40 0 IEABRO CC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)CC1 ZINC000019499916 556771794 /nfs/dbraw/zinc/77/17/94/556771794.db2.gz PUJXXFUBRSZFKN-VGSWGCGISA-N 1 0 436.560 2.315 40 0 IEABRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)ccc1OC ZINC000019531978 556792340 /nfs/dbraw/zinc/79/23/40/556792340.db2.gz JHXPUTRDRVCNBH-GOSISDBHSA-N 1 0 428.533 2.393 40 0 IEABRO CCOc1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C3)OCO2 ZINC000019532390 556792865 /nfs/dbraw/zinc/79/28/65/556792865.db2.gz RTNUJIFDUQMHNW-NHJWOMDBSA-N 1 0 427.501 2.237 40 0 IEABRO Cc1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)ccc1F ZINC000019570793 556811110 /nfs/dbraw/zinc/81/11/10/556811110.db2.gz JUMFOZNBOXCMJU-IEBWSBKVSA-N 1 0 447.580 2.490 40 0 IEABRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccccc2F)C[C@]12CCc1ccccc1C(=O)N2 ZINC000019583353 556820761 /nfs/dbraw/zinc/82/07/61/556820761.db2.gz RFFLODWUCSXERF-VGOFRKELSA-N 1 0 431.533 2.123 40 0 IEABRO CN(C)c1ncc2c(cc(C3CCN(C(=O)CC[N@H+](C)Cc4cccnc4)CC3)[nH]c2=O)n1 ZINC000019585706 556822940 /nfs/dbraw/zinc/82/29/40/556822940.db2.gz YXZSKIDJXJMHBU-UHFFFAOYSA-N 1 0 449.559 2.420 40 0 IEABRO COc1ccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)cc1OC ZINC000019590250 556825358 /nfs/dbraw/zinc/82/53/58/556825358.db2.gz ZFJJUQXVBOKMNT-INIZCTEOSA-N 1 0 426.517 2.136 40 0 IEABRO COCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2OC)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593508 556829796 /nfs/dbraw/zinc/82/97/96/556829796.db2.gz SJIQEWYQGITAIR-WOJBJXKFSA-N 1 0 439.560 2.064 40 0 IEABRO C=C(C(=O)OCC)C1=C(SCNC(=O)C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)[O-])CCCC1 ZINC000065090370 556832418 /nfs/dbraw/zinc/83/24/18/556832418.db2.gz GCYBDHBZLYISHM-QGZVFWFLSA-N 1 0 441.594 2.125 40 0 IEABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000019694075 556849198 /nfs/dbraw/zinc/84/91/98/556849198.db2.gz XTIDPTFIBZOTAL-LJQANCHMSA-N 1 0 436.560 2.110 40 0 IEABRO CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3ccc(F)cc3)CC1)C2=O ZINC000019699564 556858836 /nfs/dbraw/zinc/85/88/36/556858836.db2.gz MTTQSAALLXMLQA-UHFFFAOYSA-N 1 0 432.496 2.333 40 0 IEABRO CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3ccccc3F)CC1)C2=O ZINC000019699563 556858926 /nfs/dbraw/zinc/85/89/26/556858926.db2.gz XDJTWRUOLDVHEN-UHFFFAOYSA-N 1 0 432.496 2.333 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3scnc3C)CC1)C2=O ZINC000019700682 556860122 /nfs/dbraw/zinc/86/01/22/556860122.db2.gz HMAOAKCDKQQFHL-UHFFFAOYSA-N 1 0 433.578 2.100 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)CCc3ccccc3OC)C1)C2=O ZINC000019700780 556860184 /nfs/dbraw/zinc/86/01/84/556860184.db2.gz TXIPPFIVWGOBIL-LJQANCHMSA-N 1 0 442.560 2.025 40 0 IEABRO C[NH+](C)CCOc1cccc(NC(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)c1 ZINC000019708133 556868133 /nfs/dbraw/zinc/86/81/33/556868133.db2.gz LYVNOIJGRINDBP-UHFFFAOYSA-N 1 0 446.573 2.413 40 0 IEABRO CNc1nc([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019708493 556869307 /nfs/dbraw/zinc/86/93/07/556869307.db2.gz LZAAHOHHXOLDIC-FQEVSTJZSA-N 1 0 428.581 2.208 40 0 IEABRO CNc1nc([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)nc2c1CN(C(C)=O)CC2 ZINC000019710257 556872129 /nfs/dbraw/zinc/87/21/29/556872129.db2.gz FVVAHUQYSUWFAQ-HXUWFJFHSA-N 1 0 428.581 2.208 40 0 IEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(S(=O)(=O)c1ccc(OC)cc1)CC2 ZINC000019710308 556872522 /nfs/dbraw/zinc/87/25/22/556872522.db2.gz KFPSCGLVWANQAX-HNNXBMFYSA-N 1 0 431.562 2.083 40 0 IEABRO CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC000019710377 556872778 /nfs/dbraw/zinc/87/27/78/556872778.db2.gz ZWWOOZXLAIMXFM-FQEVSTJZSA-N 1 0 428.581 2.208 40 0 IEABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(S(=O)(=O)c1cc(C)c(OC)cc1C)C2 ZINC000019710902 556874915 /nfs/dbraw/zinc/87/49/15/556874915.db2.gz NNPMNUXJFSENLM-UHFFFAOYSA-N 1 0 445.589 2.358 40 0 IEABRO CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)CC[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000019711395 556875757 /nfs/dbraw/zinc/87/57/57/556875757.db2.gz URTQXYIAOGLCNC-KRWDZBQOSA-N 1 0 442.608 2.251 40 0 IEABRO O=C(Cn1cccc(C(=O)NCc2ccccc2)c1=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000019750341 556894357 /nfs/dbraw/zinc/89/43/57/556894357.db2.gz YNSVATDDVUFYDS-NRFANRHFSA-N 1 0 436.556 2.255 40 0 IEABRO O=C(Cn1cc(C(=O)NCc2ccccc2)ccc1=O)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000019751314 556895285 /nfs/dbraw/zinc/89/52/85/556895285.db2.gz YKAUIPOPFJACQO-OAQYLSRUSA-N 1 0 436.556 2.113 40 0 IEABRO O=C(C[NH+]1CCCC1)N1CCC(Cc2ncncc2C(=O)NCc2ccccc2F)CC1 ZINC000019752195 556896109 /nfs/dbraw/zinc/89/61/09/556896109.db2.gz FDQVOWPYFHTFGK-UHFFFAOYSA-N 1 0 439.535 2.423 40 0 IEABRO Cn1cc(C(=O)NCc2ccccn2)c(CC2CC[NH+](CC(=O)N3CCCCC3)CC2)n1 ZINC000019756304 556900057 /nfs/dbraw/zinc/90/00/57/556900057.db2.gz LCJBHNVNSRFRAI-UHFFFAOYSA-N 1 0 438.576 2.012 40 0 IEABRO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@]3(CC(=O)c4ccccc4O3)CCC2=O)CC1 ZINC000072327560 556904261 /nfs/dbraw/zinc/90/42/61/556904261.db2.gz OFCXHOIIUXLJJG-DEOSSOPVSA-N 1 0 427.545 2.392 40 0 IEABRO Cc1cc2c(cc1C[N@H+]1CCC[C@@H](c3ncc(C(=O)N(C)C)c(C)n3)C1)n(C)c(=O)n2C ZINC000019763056 556907721 /nfs/dbraw/zinc/90/77/21/556907721.db2.gz MTCQRYADHFQNLA-QGZVFWFLSA-N 1 0 436.560 2.365 40 0 IEABRO COc1ccc(NC(=O)c2cn(C)nc2CC2CC[NH+](CC(=O)N3CCC3)CC2)cc1 ZINC000072352133 556922987 /nfs/dbraw/zinc/92/29/87/556922987.db2.gz OPKRFBCKJQQPAE-UHFFFAOYSA-N 1 0 425.533 2.168 40 0 IEABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)[nH+]1 ZINC000072374993 556949705 /nfs/dbraw/zinc/94/97/05/556949705.db2.gz XXAWGHCYFUVJJT-GOSISDBHSA-N 1 0 438.532 2.269 40 0 IEABRO C[C@@H](NC(=O)COc1ccccc1F)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000072394921 556966175 /nfs/dbraw/zinc/96/61/75/556966175.db2.gz XVGAMVDAZYBJSP-AEFFLSMTSA-N 1 0 429.492 2.061 40 0 IEABRO Cc1ccc(CC(=O)N2CCO[C@]3(C2)C(=O)N(CC[NH+](C)C)C[C@@H]3c2ccccc2)cc1 ZINC000585106739 557040797 /nfs/dbraw/zinc/04/07/97/557040797.db2.gz HAJDXASMFRHZFM-BVAGGSTKSA-N 1 0 435.568 2.323 40 0 IEABRO Cc1cc(C)cc(C(=O)N2CC[C@@]3(C2)CCc2nnc(C(=O)NCC[NH+](C)C)n2CC3)c1 ZINC000585106804 557041048 /nfs/dbraw/zinc/04/10/48/557041048.db2.gz SKLFOKDKRDSPPO-DEOSSOPVSA-N 1 0 438.576 2.055 40 0 IEABRO O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000585112121 557044553 /nfs/dbraw/zinc/04/45/53/557044553.db2.gz LROJDCNSRLBHHM-QFIPXVFZSA-N 1 0 432.528 2.472 40 0 IEABRO COCCn1nnnc1[C@H](c1ccc(OC)cc1OC)N1CC[NH+](C2CCCCC2)CC1 ZINC000022928881 557049350 /nfs/dbraw/zinc/04/93/50/557049350.db2.gz IRAKABVEIGFNHF-QFIPXVFZSA-N 1 0 444.580 2.376 40 0 IEABRO C[NH+]1CCN(CCCNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000022934826 557052064 /nfs/dbraw/zinc/05/20/64/557052064.db2.gz DYLLMGYWVKKITB-UHFFFAOYSA-N 1 0 444.601 2.020 40 0 IEABRO C[NH+]1CCN(CCCNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000022935101 557052465 /nfs/dbraw/zinc/05/24/65/557052465.db2.gz XLHXZBVRRBXZRA-UHFFFAOYSA-N 1 0 444.601 2.020 40 0 IEABRO C[NH+](C)CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000216337046 557143414 /nfs/dbraw/zinc/14/34/14/557143414.db2.gz QFTGILNUKPIBEO-UHFFFAOYSA-N 1 0 446.411 2.059 40 0 IEABRO CC[NH+](CC)CCCNC(=S)N(CCCO)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000006193069 557148193 /nfs/dbraw/zinc/14/81/93/557148193.db2.gz RYENNUQNAARUBH-UHFFFAOYSA-N 1 0 434.606 2.328 40 0 IEABRO CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCCOC ZINC000006193396 557148493 /nfs/dbraw/zinc/14/84/93/557148493.db2.gz OQYRUCZDUHKNGV-UHFFFAOYSA-N 1 0 448.589 2.312 40 0 IEABRO C[NH+](C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NC[C@@H]1CCCO1 ZINC000006198468 557150065 /nfs/dbraw/zinc/15/00/65/557150065.db2.gz MEDWKEKITUFCQC-KRWDZBQOSA-N 1 0 446.573 2.064 40 0 IEABRO C[NH+](C)CCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000006198526 557150078 /nfs/dbraw/zinc/15/00/78/557150078.db2.gz IROZLULHMBGFRW-QGZVFWFLSA-N 1 0 446.573 2.064 40 0 IEABRO Cc1cc(C)cc(C(=O)N2CCC[C@]3(C(=O)N(C)C)C[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC000096090879 557168840 /nfs/dbraw/zinc/16/88/40/557168840.db2.gz UFKQIDZZLYSFHN-RDGATRHJSA-N 1 0 437.588 2.480 40 0 IEABRO C[NH+](C)CCN1[C@H]2CCN(Cc3ccccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145914 557176068 /nfs/dbraw/zinc/17/60/68/557176068.db2.gz LHVMEBFPOQTUHG-PMACEKPBSA-N 1 0 430.574 2.060 40 0 IEABRO C[N@@H+]1CCCN(C(=O)c2ncn3c2nccc3C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000096155710 557180350 /nfs/dbraw/zinc/18/03/50/557180350.db2.gz REGJKJKJVKOPGR-UHFFFAOYSA-N 1 0 436.516 2.120 40 0 IEABRO CC(C)N1CC[N@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NC[C@@H]3CCCO3)cn21 ZINC000096156794 557182260 /nfs/dbraw/zinc/18/22/60/557182260.db2.gz NTSGFGPJYWKMJG-VQTJNVASSA-N 1 0 426.565 2.115 40 0 IEABRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 ZINC000096242223 557185921 /nfs/dbraw/zinc/18/59/21/557185921.db2.gz SEDMIRPKHUZIKS-LJQANCHMSA-N 1 0 428.577 2.028 40 0 IEABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)O[C@@H](C(=O)NCc1ccccn1)Cn1ccnc12 ZINC000096243853 557187798 /nfs/dbraw/zinc/18/77/98/557187798.db2.gz DUSDKCNFPKPJOV-HXUWFJFHSA-N 1 0 436.516 2.089 40 0 IEABRO Cc1occc1C(=O)N1CCC[C@]2(C(=O)NCC3CC3)C[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251457 557188586 /nfs/dbraw/zinc/18/85/86/557188586.db2.gz XSPVKBVEVGGETL-YKSBVNFPSA-N 1 0 439.560 2.202 40 0 IEABRO CC(C)(NC(=O)c1ccccc1F)C(=O)N1CC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000585261760 557196674 /nfs/dbraw/zinc/19/66/74/557196674.db2.gz HWDPIFAVOSCZQB-RUZDIDTESA-N 1 0 439.531 2.356 40 0 IEABRO C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccncn1 ZINC000585262437 557201965 /nfs/dbraw/zinc/20/19/65/557201965.db2.gz IUBLUURDZTZION-LUKWVAJMSA-N 1 0 436.487 2.427 40 0 IEABRO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000585272100 557216738 /nfs/dbraw/zinc/21/67/38/557216738.db2.gz IYDUAOBLZFXYCX-OAQYLSRUSA-N 1 0 430.545 2.278 40 0 IEABRO Cc1cccc(N2CCC(O)(C[N@@H+]3CC[C@@H]4[C@H](C3)CCCCN4S(C)(=O)=O)CC2)c1 ZINC000585282941 557222058 /nfs/dbraw/zinc/22/20/58/557222058.db2.gz JYIUFCXQSHENOK-RBBKRZOGSA-N 1 0 435.634 2.462 40 0 IEABRO CCOC(=O)N1CCC([N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)CC1 ZINC000585283093 557222359 /nfs/dbraw/zinc/22/23/59/557222359.db2.gz PRAQZNTWYHGSQM-XMMPIXPASA-N 1 0 447.576 2.198 40 0 IEABRO OC1(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCN(c2ccccc2F)CC1 ZINC000585286894 557225574 /nfs/dbraw/zinc/22/55/74/557225574.db2.gz JWQGOHJVPOCUCJ-XMMPIXPASA-N 1 0 448.510 2.438 40 0 IEABRO CCOC(=O)N1CCC([N@@H+]2CCN(C(C)=O)C[C@](O)(COc3cc(C)cc(C)c3)C2)CC1 ZINC000585287195 557225905 /nfs/dbraw/zinc/22/59/05/557225905.db2.gz KSDNIHKBJKLKOC-XMMPIXPASA-N 1 0 447.576 2.198 40 0 IEABRO OC1(C[N@@H+]2CCOC[C@](O)(COc3ccccc3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287197 557225954 /nfs/dbraw/zinc/22/59/54/557225954.db2.gz KWULLHISOFUOMA-DEOSSOPVSA-N 1 0 430.520 2.299 40 0 IEABRO COc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc1OC ZINC000585289109 557226553 /nfs/dbraw/zinc/22/65/53/557226553.db2.gz DVSPSFMDZYHEIW-UNMCSNQZSA-N 1 0 434.920 2.085 40 0 IEABRO COc1cccc(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)c1OC(F)F ZINC000057774549 557264484 /nfs/dbraw/zinc/26/44/84/557264484.db2.gz FDSOSMRVAAJORU-UHFFFAOYSA-N 1 0 429.427 2.438 40 0 IEABRO CCc1ccc(N2C(=O)C[C@@H](N3CCC4(CC3)C(=O)NCN4c3ccccc3)C2=O)cc1 ZINC000102405812 557301522 /nfs/dbraw/zinc/30/15/22/557301522.db2.gz VHAILZDBKMICPK-OAQYLSRUSA-N 1 0 432.524 2.309 40 0 IEABRO Cc1ccc(CN(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000222702525 557376289 /nfs/dbraw/zinc/37/62/89/557376289.db2.gz JTQZSMTYNVVWQK-UHFFFAOYSA-N 1 0 430.574 2.147 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCC[NH+]1CCCC1 ZINC000222728380 557380102 /nfs/dbraw/zinc/38/01/02/557380102.db2.gz QMMZKVDYLCVPCS-UHFFFAOYSA-N 1 0 437.606 2.405 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000013640126 557384986 /nfs/dbraw/zinc/38/49/86/557384986.db2.gz KOXGTAGMXWZOKV-MOPGFXCFSA-N 1 0 441.919 2.263 40 0 IEABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1CCC[NH+]1CCOCC1 ZINC000223572424 557487705 /nfs/dbraw/zinc/48/77/05/557487705.db2.gz PUBAGUDYUQACDJ-FGZHOGPDSA-N 1 0 443.617 2.187 40 0 IEABRO CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000224226801 557577865 /nfs/dbraw/zinc/57/78/65/557577865.db2.gz APJBYZULMOATGQ-UHFFFAOYSA-N 1 0 431.558 2.342 40 0 IEABRO CCN(Cc1ccc(C(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224466107 557609245 /nfs/dbraw/zinc/60/92/45/557609245.db2.gz WPGJNLYOLOBNTR-UHFFFAOYSA-N 1 0 431.558 2.294 40 0 IEABRO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)Cc1ccccc1F ZINC000224803247 557653080 /nfs/dbraw/zinc/65/30/80/557653080.db2.gz RQVRAQLFCPCZOR-UHFFFAOYSA-N 1 0 433.549 2.500 40 0 IEABRO [NH3+]CCSc1n[nH]c(C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 ZINC000224979348 557674157 /nfs/dbraw/zinc/67/41/57/557674157.db2.gz YNQMZAZTSSGIEZ-UHFFFAOYSA-N 1 0 446.396 2.186 40 0 IEABRO COc1ccc(N(CCCC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1 ZINC000225247804 557704790 /nfs/dbraw/zinc/70/47/90/557704790.db2.gz UZQFUURKOYCZRN-UHFFFAOYSA-N 1 0 425.595 2.480 40 0 IEABRO C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000225284784 557708893 /nfs/dbraw/zinc/70/88/93/557708893.db2.gz PBEKBQSRAZWHCU-QGZVFWFLSA-N 1 0 446.573 2.240 40 0 IEABRO CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000225301407 557710110 /nfs/dbraw/zinc/71/01/10/557710110.db2.gz ZBQZIWYNYVQKCS-UHFFFAOYSA-N 1 0 448.614 2.420 40 0 IEABRO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000260813043 557857276 /nfs/dbraw/zinc/85/72/76/557857276.db2.gz OVQGIAGMOYQGLH-XLIONFOSSA-N 1 0 425.595 2.478 40 0 IEABRO CC(=O)N1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@](O)(COc2ccccc2)C1 ZINC000585270823 568617242 /nfs/dbraw/zinc/61/72/42/568617242.db2.gz DFICNJNXGARAMF-VWLOTQADSA-N 1 0 441.572 2.101 40 0 IEABRO O=C(C[C@@]1(COc2ccc(F)cc2)CN(Cc2ccc(O)cc2)CCO1)N1CCOCC1 ZINC000585272928 568617999 /nfs/dbraw/zinc/61/79/99/568617999.db2.gz KVRLGQJIBAVDDL-DEOSSOPVSA-N 1 0 444.503 2.430 40 0 IEABRO Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)O2 ZINC000260897254 568628367 /nfs/dbraw/zinc/62/83/67/568628367.db2.gz KEGAMHGQJNDFTM-JOCHJYFZSA-N 1 0 443.569 2.434 40 0 IEABRO NC(=O)c1ccc2c(ccn2[C@@H]2CN(C(=O)CCC[NH+]3Cc4ccccc4C3)C[C@H]2O)c1 ZINC000257204579 568667220 /nfs/dbraw/zinc/66/72/20/568667220.db2.gz AVHFRNDGLRMGQD-DHIUTWEWSA-N 1 0 432.524 2.280 40 0 IEABRO Nc1ncnc2c1ncn2[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[C@@H]1O ZINC000257206150 568667904 /nfs/dbraw/zinc/66/79/04/568667904.db2.gz BCBQZZMICKIWRZ-PMACEKPBSA-N 1 0 449.559 2.233 40 0 IEABRO C[C@H]([NH3+])C(=O)N1CCC2(CC1)CO[C@@]1(C)CC[C@H]3OC(C)(C)[C@H](O)CC[C@]3(C)O[C@@H]1C2 ZINC000257214181 568671717 /nfs/dbraw/zinc/67/17/17/568671717.db2.gz CKXMBUNYPVMHLI-FPZPBXSISA-N 1 0 438.609 2.378 40 0 IEABRO CCOc1ccc2[nH]c(C(=O)N[C@@H]3CCC[C@@H](N4CCN(C(C)=O)CC4)[C@@H]3O)c(C)c2c1 ZINC000257221907 568675283 /nfs/dbraw/zinc/67/52/83/568675283.db2.gz DRBIXNRVCMYIFS-MQSCRBSSSA-N 1 0 442.560 2.051 40 0 IEABRO C[N@@H+]1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257234724 568681374 /nfs/dbraw/zinc/68/13/74/568681374.db2.gz GUVZOFHXVQGHHK-HXUWFJFHSA-N 1 0 432.572 2.468 40 0 IEABRO CN(C[C@]1(O)CCN(c2ccnc3cccnc32)C1)C(=O)c1cccc(OCC[NH+](C)C)c1 ZINC000257247092 568687063 /nfs/dbraw/zinc/68/70/63/568687063.db2.gz IXJWAUWMSOKNJX-RUZDIDTESA-N 1 0 449.555 2.284 40 0 IEABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)CN1CCCCS1(=O)=O)[C@@H]3Cc1ccccc1 ZINC000257251077 568689208 /nfs/dbraw/zinc/68/92/08/568689208.db2.gz JPHUWBKXRVQELX-FPQOSCNCSA-N 1 0 431.602 2.155 40 0 IEABRO CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1ccc(OCCC[NH3+])cc1 ZINC000257261270 568693915 /nfs/dbraw/zinc/69/39/15/568693915.db2.gz LGMUTRXBZSBGHH-RUZDIDTESA-N 1 0 449.555 2.461 40 0 IEABRO CCN1CCN(CC(=O)Nc2ccn(C)n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257262349 568694064 /nfs/dbraw/zinc/69/40/64/568694064.db2.gz LLBREHHSHIQKBR-NRFANRHFSA-N 1 0 446.555 2.444 40 0 IEABRO CC(=O)Nc1ccc(NC(=O)CN2CCC3(CN(S(C)(=O)=O)C(C)(C)C3)CC2)cc1 ZINC000257278401 568701475 /nfs/dbraw/zinc/70/14/75/568701475.db2.gz OCCLKHYVQDUETA-UHFFFAOYSA-N 1 0 436.578 2.110 40 0 IEABRO Cc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)no1 ZINC000257290271 568706725 /nfs/dbraw/zinc/70/67/25/568706725.db2.gz QCFRKCXWJBFSBS-FIXSFTCYSA-N 1 0 426.561 2.202 40 0 IEABRO CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1cccc(OCCC[NH3+])c1 ZINC000257303202 568712721 /nfs/dbraw/zinc/71/27/21/568712721.db2.gz SGEQCSVZXHGYFP-RUZDIDTESA-N 1 0 449.555 2.461 40 0 IEABRO CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000257320211 568720010 /nfs/dbraw/zinc/72/00/10/568720010.db2.gz VVUAYNORCODSMQ-XMMPIXPASA-N 1 0 439.560 2.055 40 0 IEABRO CCc1nccn1CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257339163 568728221 /nfs/dbraw/zinc/72/82/21/568728221.db2.gz ZALBTNMKLZEQLF-WRALFONMSA-N 1 0 440.588 2.135 40 0 IEABRO CN(C[C@]1(O)CCCN(c2ccnc3cccnc32)C1)C(=O)c1ccc(OCCC[NH3+])cc1 ZINC000257340270 568728721 /nfs/dbraw/zinc/72/87/21/568728721.db2.gz ZFHDRMZXVKZHTA-RUZDIDTESA-N 1 0 449.555 2.461 40 0 IEABRO CC[C@H]1[NH2+][C@@]2(c3ccccc3N(C)C2=O)[C@@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@@H]12 ZINC000015305398 568754976 /nfs/dbraw/zinc/75/49/76/568754976.db2.gz VHFZKDXVPXFEJP-QHYAIYAISA-N 1 0 432.480 2.004 40 0 IEABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@H+](Cc3cc(C)cc(C)c3)C2)cs1 ZINC000306123151 568762475 /nfs/dbraw/zinc/76/24/75/568762475.db2.gz AFRSHESPNLVJRM-QHCPKHFHSA-N 1 0 437.569 2.382 40 0 IEABRO CN1Cc2nnc(C(=O)NCc3ccccc3)n2C[C@]12CC[N@H+](Cc1cccc(F)c1)C2 ZINC000306124275 568763279 /nfs/dbraw/zinc/76/32/79/568763279.db2.gz BLJVFXKKMCDIJH-XMMPIXPASA-N 1 0 434.519 2.437 40 0 IEABRO COc1ccc(CN2CCO[C@@]3(C[N@H+](Cc4cnn(C)c4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306125496 568763771 /nfs/dbraw/zinc/76/37/71/568763771.db2.gz CSOACUNZUPNPRK-ILBGXUMGSA-N 1 0 447.539 2.221 40 0 IEABRO COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)NC4CC4)CC[C@@H]3[N@@H+]2CC2CC2)cc1 ZINC000306128998 568765511 /nfs/dbraw/zinc/76/55/11/568765511.db2.gz HQWJXWTVGAQMKF-COPCDDAFSA-N 1 0 426.561 2.358 40 0 IEABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@H+](Cc3ccccc3Cl)C2)cs1 ZINC000306129678 568765828 /nfs/dbraw/zinc/76/58/28/568765828.db2.gz IJHDCWPQRLDMRN-OAQYLSRUSA-N 1 0 443.960 2.419 40 0 IEABRO Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@H+](Cc4cc(C)cc(C)c4)C2)C3)cs1 ZINC000306132589 568767415 /nfs/dbraw/zinc/76/74/15/568767415.db2.gz LMZYMXAYPAPSCO-QHCPKHFHSA-N 1 0 437.569 2.283 40 0 IEABRO CC(C)N1CC[N@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NC[C@@H]3CCCO3)cn21 ZINC000306134621 568768494 /nfs/dbraw/zinc/76/84/94/568768494.db2.gz NTSGFGPJYWKMJG-PMACEKPBSA-N 1 0 426.565 2.115 40 0 IEABRO Cc1nc(C(=O)N2CCC3(CC2)C[N@H+](C)C[C@H](C(=O)NCc2ccc(F)cc2)O3)cs1 ZINC000306135666 568769233 /nfs/dbraw/zinc/76/92/33/568769233.db2.gz OXIJNNAMOLMGPC-LJQANCHMSA-N 1 0 446.548 2.212 40 0 IEABRO CCn1cc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 ZINC000306140384 568771622 /nfs/dbraw/zinc/77/16/22/568771622.db2.gz URQGBORHBNWFET-VWNXMTODSA-N 1 0 432.528 2.090 40 0 IEABRO COc1cccc(C[N@@H+]2CC[C@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)c1 ZINC000306143613 568773424 /nfs/dbraw/zinc/77/34/24/568773424.db2.gz YGVSCSRHFOSJLV-DEOSSOPVSA-N 1 0 440.544 2.169 40 0 IEABRO CC[C@H]1[NH2+][C@@]2(c3ccccc3N(C)C2=O)[C@@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]12 ZINC000100145325 568841678 /nfs/dbraw/zinc/84/16/78/568841678.db2.gz VHFZKDXVPXFEJP-HMSHQKHKSA-N 1 0 432.480 2.004 40 0 IEABRO CC[NH+](CC)CCCN(CC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000575424503 568864379 /nfs/dbraw/zinc/86/43/79/568864379.db2.gz TUWJNIOUTFUCKE-GOSISDBHSA-N 1 0 426.579 2.108 40 0 IEABRO CN1CCN(c2nccc(C[N@@H+]3C[C@@H]4CCC[C@](O)(c5ccc(F)cc5)[C@H]4C3)n2)CC1 ZINC000248150811 569207277 /nfs/dbraw/zinc/20/72/77/569207277.db2.gz UCOUXTFXVNJXJE-OEOAZWSVSA-N 1 0 425.552 2.487 40 0 IEABRO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)C1)N1CC[C@@]2(CC(=O)c3ccccc3O2)CCC1=O ZINC000019077397 569226093 /nfs/dbraw/zinc/22/60/93/569226093.db2.gz ZXSIHGQTZVOSAY-QZTZHPFYSA-N 1 0 427.545 2.202 40 0 IEABRO CC(C)[NH+]1CCC(C(=O)N2CCO[C@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)CC1 ZINC000019693469 569228853 /nfs/dbraw/zinc/22/88/53/569228853.db2.gz XROIFXSHPPJMCV-FQEVSTJZSA-N 1 0 437.544 2.263 40 0 IEABRO NC(=O)C1CC[NH+](CCC(=O)N2CCO[C@H](c3ccc(-c4ccccc4F)cn3)C2)CC1 ZINC000019693563 569228988 /nfs/dbraw/zinc/22/89/88/569228988.db2.gz DVVVJOBDPXTHQK-QFIPXVFZSA-N 1 0 440.519 2.375 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccc(F)cc3)CC1)C2=O ZINC000019699358 569230493 /nfs/dbraw/zinc/23/04/93/569230493.db2.gz CZZAWLJUAHPHSA-UHFFFAOYSA-N 1 0 430.524 2.156 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3cccc(F)c3)C1)C2=O ZINC000019699934 569230921 /nfs/dbraw/zinc/23/09/21/569230921.db2.gz LAODDKUULTXRKI-LJQANCHMSA-N 1 0 430.524 2.156 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3OC)C1)C2=O ZINC000019700032 569231047 /nfs/dbraw/zinc/23/10/47/569231047.db2.gz QYGQAKCJLDSAGS-IBGZPJMESA-N 1 0 442.560 2.025 40 0 IEABRO Cc1nnsc1C(=O)N1CC[C@H](c2c3cccnc3sc2C(=O)NCC[NH+](C)C)C1 ZINC000019702237 569231772 /nfs/dbraw/zinc/23/17/72/569231772.db2.gz BIWVRFRJEBUQHG-ZDUSSCGKSA-N 1 0 444.586 2.377 40 0 IEABRO Cc1nnsc1C(=O)N1CC[C@@H](c2c3cccnc3sc2C(=O)NCC[NH+](C)C)C1 ZINC000019702236 569231805 /nfs/dbraw/zinc/23/18/05/569231805.db2.gz BIWVRFRJEBUQHG-CYBMUJFWSA-N 1 0 444.586 2.377 40 0 IEABRO Cc1nn2c(nccc2[C@H]2CCN(C(=O)C3CCCC3)C2)c1C[NH+]1CCC(C(N)=O)CC1 ZINC000019707667 569234484 /nfs/dbraw/zinc/23/44/84/569234484.db2.gz BFOFUXQVBIWESY-IBGZPJMESA-N 1 0 438.576 2.241 40 0 IEABRO CNc1cc(C[NH+](C)C)nc([C@H]2CCCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000019709762 569234791 /nfs/dbraw/zinc/23/47/91/569234791.db2.gz VJKPEHKEIXUMRD-QGZVFWFLSA-N 1 0 447.561 2.267 40 0 IEABRO O=C(CS(=O)(=O)Cc1ccco1)NC/C=C\COc1cc(C[NH+]2CCCCC2)ccn1 ZINC000077301715 569293403 /nfs/dbraw/zinc/29/34/03/569293403.db2.gz XJYKZWIKCBSALL-DJWKRKHSSA-N 1 0 447.557 2.327 40 0 in-vitro IEABRO C[NH+](C)[C@@H]1C[C@@H](C(N)=O)N(C(=O)CCCNc2ncnc3ccccc32)[C@H]1c1ccccc1 ZINC000585262201 569582942 /nfs/dbraw/zinc/58/29/42/569582942.db2.gz LNTQMTVJXCQDLM-GIWBLDEGSA-N 1 0 446.555 2.580 40 0 IEABRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H](C(=O)NCc3cc(F)cc(F)c3)CC(=O)N(C)C2)cn1 ZINC000096113514 291333098 /nfs/dbraw/zinc/33/30/98/291333098.db2.gz HGOKVEHXQISPML-YLJYHZDGSA-N 1 0 433.503 2.122 40 0 biogenic,in-vitro IEABRO C[NH+](C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NC[C@H]1CCCO1 ZINC000006198469 193891716 /nfs/dbraw/zinc/89/17/16/193891716.db2.gz MEDWKEKITUFCQC-QGZVFWFLSA-N 1 0 446.573 2.064 40 0 IEABRO C[NH+](C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCc1ccco1 ZINC000006198579 193892165 /nfs/dbraw/zinc/89/21/65/193892165.db2.gz TZOFBSUZUPJEAN-UHFFFAOYSA-N 1 0 428.514 2.288 40 0 IEABRO C[NH+](C)CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013677787 132353103 /nfs/dbraw/zinc/35/31/03/132353103.db2.gz KMMIKDQTVTUNFL-LJQANCHMSA-N 1 0 437.949 2.364 40 0 IEABRO CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)CC1 ZINC000035425257 519511330 /nfs/dbraw/zinc/51/13/30/519511330.db2.gz LVAAVEUHKROKKP-IBGZPJMESA-N 1 0 426.521 2.116 40 0 biogenic,in-vitro IEABRO CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(C)CC2)no1)c1ccccc1 ZINC000012482699 523172906 /nfs/dbraw/zinc/17/29/06/523172906.db2.gz RKTIGEBUBGFFPX-PMACEKPBSA-N 1 0 425.577 2.243 40 0 biogenic,in-vitro IEABRO COc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000013674771 524359116 /nfs/dbraw/zinc/35/91/16/524359116.db2.gz CXZUSJFKVMAZGH-UHFFFAOYSA-N 1 0 449.573 2.275 40 0 IEABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCN(c3ccccc3)CC2)on1)NC1CC1 ZINC000012482927 527125298 /nfs/dbraw/zinc/12/52/98/527125298.db2.gz WEFCGEPHYNWAMD-PMACEKPBSA-N 1 0 437.588 2.434 40 0 biogenic,in-vitro IEABRO O=S(=O)(c1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cc1)N1CCCC1 ZINC000035311614 527279338 /nfs/dbraw/zinc/27/93/38/527279338.db2.gz XPDWBFNIHZRZCW-UHFFFAOYSA-N 1 0 441.619 2.110 40 0 IEABRO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccccc4NC2=O)[N@H+]2CCC[C@@H]32)cc1 ZINC000008743391 556208102 /nfs/dbraw/zinc/20/81/02/556208102.db2.gz RDYYNNNAKVQNDY-AZXNSQLWSA-N 1 0 431.448 2.043 40 0 IEABRO Cc1ccc(N2C(=O)[C@H]3C[NH2+][C@@]4(C(=O)Nc5ccc(Br)cc54)[C@@H]3C2=O)cc1 ZINC000010382117 556333965 /nfs/dbraw/zinc/33/39/65/556333965.db2.gz ZWGQGNLBFCJSOG-ZSOFBXJNSA-N 1 0 426.270 2.314 40 0 IEABRO CS(=O)(=O)N1C[C@H](C(=O)NCCC[NH+]2CCCCCC2)Oc2ccc(Cl)cc21 ZINC000030872243 556513824 /nfs/dbraw/zinc/51/38/24/556513824.db2.gz DPDAXXYNZCTGHE-GOSISDBHSA-N 1 0 429.970 2.249 40 0 IEABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000032462158 556537793 /nfs/dbraw/zinc/53/77/93/556537793.db2.gz YVJVODZEXYLKOR-UHFFFAOYSA-N 1 0 443.569 2.233 40 0 IEABRO COc1cccc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000013673924 556553563 /nfs/dbraw/zinc/55/35/63/556553563.db2.gz JFVZNMAZHAAIJV-UHFFFAOYSA-N 1 0 431.558 2.493 40 0 IEABRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)CC1 ZINC000033158307 556556492 /nfs/dbraw/zinc/55/64/92/556556492.db2.gz FVNQWLVOSLSWJX-LJQANCHMSA-N 1 0 442.585 2.478 40 0 IEABRO COc1ccc(N([C@H](C)C(=O)NCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1Cl ZINC000013680791 556556762 /nfs/dbraw/zinc/55/67/62/556556762.db2.gz GNIUZCHEANDQSR-OAHLLOKOSA-N 1 0 431.986 2.495 40 0 IEABRO CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)Oc2ccccc21 ZINC000038831802 556622091 /nfs/dbraw/zinc/62/20/91/556622091.db2.gz IGUMONDJLSPXNH-NRFANRHFSA-N 1 0 429.542 2.126 40 0 IEABRO O[C@H]1[C@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)OC[C@@H]1[NH2+]Cc1ccccn1 ZINC000514289058 556625520 /nfs/dbraw/zinc/62/55/20/556625520.db2.gz PLKLJDNAOXENBO-PCCBWWKXSA-N 1 0 436.478 2.141 40 0 biogenic,in-vitro IEABRO CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000044871695 556673320 /nfs/dbraw/zinc/67/33/20/556673320.db2.gz MHAKZYTZCIAICM-UHFFFAOYSA-N 1 0 430.574 2.212 40 0 IEABRO O=C1CCCN1CCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 ZINC000257219031 556700686 /nfs/dbraw/zinc/70/06/86/556700686.db2.gz DFIOAEKPNJPKEX-SFTDATJTSA-N 1 0 437.531 2.354 40 0 IEABRO COCCOc1cc(CN2C[C@@H](O)[C@H]([N@H+](C)Cc3ccc(OC)cc3)C2)ccc1OC ZINC000257213474 556702716 /nfs/dbraw/zinc/70/27/16/556702716.db2.gz CHSMXPKHMBZUJB-FGZHOGPDSA-N 1 0 430.545 2.406 40 0 IEABRO COc1ccc(C[N@H+](C)[C@H]2CN(Cc3cccc(CN4CCOCC4)c3)C[C@@H]2O)cc1 ZINC000257336322 556706294 /nfs/dbraw/zinc/70/62/94/556706294.db2.gz YNXSGRVSOYZWSO-DQEYMECFSA-N 1 0 425.573 2.205 40 0 IEABRO O=C(NC[C@@]1(O)CCCN(c2cnccn2)C1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000257339740 556707011 /nfs/dbraw/zinc/70/70/11/556707011.db2.gz ZCZRBLVCUHNDGZ-DEOSSOPVSA-N 1 0 439.560 2.103 40 0 IEABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)[C@H]3CCCOC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257232604 556709428 /nfs/dbraw/zinc/70/94/28/556709428.db2.gz GLPLWFNQUTZSIN-IVIIFCHOSA-N 1 0 429.605 2.018 40 0 IEABRO Cc1cnc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)cn1 ZINC000257239415 556710376 /nfs/dbraw/zinc/71/03/76/556710376.db2.gz HPDNMDWZKXDWBP-LSQMVHIFSA-N 1 0 437.588 2.004 40 0 IEABRO COc1ncccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257246909 556711099 /nfs/dbraw/zinc/71/10/99/556711099.db2.gz IWLNKWRURLWDJL-TZBSWOFLSA-N 1 0 439.556 2.394 40 0 IEABRO Cc1ncncc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257306134 556717778 /nfs/dbraw/zinc/71/77/78/556717778.db2.gz STBLOFJXGCDZOJ-LSQMVHIFSA-N 1 0 438.572 2.213 40 0 IEABRO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+](CC3=CCCOC3)C2)n1 ZINC000019404123 556754248 /nfs/dbraw/zinc/75/42/48/556754248.db2.gz IWUNBMUDSHSYRP-HXUWFJFHSA-N 1 0 438.576 2.459 40 0 IEABRO COc1cccc([C@@H]2CN(C(=O)CN3CC[NH+](C(C)C)CC3)C[C@H]2c2csnn2)c1 ZINC000019447993 556757094 /nfs/dbraw/zinc/75/70/94/556757094.db2.gz FNEXIKLMOPEIFD-VQTJNVASSA-N 1 0 429.590 2.282 40 0 IEABRO COc1ccc(OCC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000019448238 556757471 /nfs/dbraw/zinc/75/74/71/556757471.db2.gz WKAWHENIQLTWKK-FQEVSTJZSA-N 1 0 426.517 2.288 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019448429 556757937 /nfs/dbraw/zinc/75/79/37/556757937.db2.gz XBNRFFQUUJGMLB-LJQANCHMSA-N 1 0 432.546 2.071 40 0 IEABRO COc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@@H](C(=O)NC(C)C)C[N@@H+]3C)CC2)cc1F ZINC000019449758 556760824 /nfs/dbraw/zinc/76/08/24/556760824.db2.gz LCVYUFBTBAOGQV-APWZRJJASA-N 1 0 441.569 2.080 40 0 IEABRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019456224 556765495 /nfs/dbraw/zinc/76/54/95/556765495.db2.gz NGESXXMWTNVSRW-INIZCTEOSA-N 1 0 430.574 2.248 40 0 IEABRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019456226 556765582 /nfs/dbraw/zinc/76/55/82/556765582.db2.gz NGESXXMWTNVSRW-MRXNPFEDSA-N 1 0 430.574 2.248 40 0 IEABRO CC1(C)NC(=O)N(CC(=O)NC2CC[NH+](CC3(c4ccccc4)CCCC3)CC2)C1=O ZINC000019460048 556767404 /nfs/dbraw/zinc/76/74/04/556767404.db2.gz JEFOOWBNUWIUBR-UHFFFAOYSA-N 1 0 426.561 2.409 40 0 IEABRO CCS(=O)(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000019520326 556776323 /nfs/dbraw/zinc/77/63/23/556776323.db2.gz XMHLNJDISGDNPT-IBGZPJMESA-N 1 0 432.546 2.236 40 0 IEABRO CCn1cc(C[N@@H+]2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)cn1 ZINC000019524998 556782416 /nfs/dbraw/zinc/78/24/16/556782416.db2.gz UXLCBJMNXRMNRI-WOJBJXKFSA-N 1 0 425.581 2.424 40 0 IEABRO CN1CCN(c2nccc(CN3CCC4(CC3)Nc3ccccc3C3=[NH+]CCCN34)n2)CC1 ZINC000019590150 556824834 /nfs/dbraw/zinc/82/48/34/556824834.db2.gz QLJHUWDPZUPKFC-UHFFFAOYSA-N 1 0 446.603 2.099 40 0 IEABRO COCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019593205 556829481 /nfs/dbraw/zinc/82/94/81/556829481.db2.gz HSJIKIQBOOFLHJ-QGZVFWFLSA-N 1 0 428.508 2.210 40 0 IEABRO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3ccncc3)CC1)C2=O ZINC000019699412 556858774 /nfs/dbraw/zinc/85/87/74/556858774.db2.gz GBMVBWCARVEYLN-UHFFFAOYSA-N 1 0 447.539 2.273 40 0 IEABRO COc1ccc(C(=O)N2CCC[C@H](N3C(=O)NC4(CC[NH+](C(C)C)CC4)C3=O)C2)cc1 ZINC000019699835 556859592 /nfs/dbraw/zinc/85/95/92/556859592.db2.gz OEVHMCBWAHGUPR-SFHVURJKSA-N 1 0 428.533 2.095 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3ccnn3C(C)C)CC1)C2=O ZINC000019700689 556860246 /nfs/dbraw/zinc/86/02/46/556860246.db2.gz LPVNHFXYHVEJJR-UHFFFAOYSA-N 1 0 444.580 2.113 40 0 IEABRO CNc1nc([C@@H]2CCC[NH2+]C2)nc2c1CCN(C(=O)CN(C)Cc1ccc(OC)cc1)C2 ZINC000019708824 556870492 /nfs/dbraw/zinc/87/04/92/556870492.db2.gz OHMAHUGJCLEESG-GOSISDBHSA-N 1 0 438.576 2.011 40 0 IEABRO CNc1nc([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710588 556874026 /nfs/dbraw/zinc/87/40/26/556874026.db2.gz HQVLPIBMRJZFSB-LJQANCHMSA-N 1 0 442.608 2.249 40 0 IEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)CC1(NC(C)=O)CCCCC1)CC2 ZINC000019710549 556874050 /nfs/dbraw/zinc/87/40/50/556874050.db2.gz RTCYREBKTZNKQN-SFHVURJKSA-N 1 0 442.608 2.441 40 0 IEABRO Cc1nc([C@@H]2CCCN(C(=O)CC[N@H+](C)Cc3ccccn3)C2)nc2c1CCC(=O)N2C ZINC000019741574 556884127 /nfs/dbraw/zinc/88/41/27/556884127.db2.gz ATPMJBGNHDLXJF-GOSISDBHSA-N 1 0 436.560 2.317 40 0 IEABRO O=C(Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O)N1CC[NH+](C2CCCC2)CC1 ZINC000019751394 556895447 /nfs/dbraw/zinc/89/54/47/556895447.db2.gz LHAMGNHNMWUZJF-UHFFFAOYSA-N 1 0 440.519 2.004 40 0 IEABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CCCCN3C(=O)C[NH+](C)C)nc2C)c1 ZINC000019753996 556897442 /nfs/dbraw/zinc/89/74/42/556897442.db2.gz KQUNSUFJZRPLSD-FQEVSTJZSA-N 1 0 425.533 2.339 40 0 IEABRO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)C[N@H+](CC(C)(C)CN2CCOCC2)CC4)no1 ZINC000072337118 556909818 /nfs/dbraw/zinc/90/98/18/556909818.db2.gz BKCUHSWIVXDCLL-UHFFFAOYSA-N 1 0 426.521 2.115 40 0 IEABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cnc(N5CCCCC5)nc4)C[C@H]32)c(OC)n1 ZINC000072392617 556963944 /nfs/dbraw/zinc/96/39/44/556963944.db2.gz JNUOTOBZDFZBSN-GEQKSPFYSA-N 1 0 440.548 2.004 40 0 IEABRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)ccc1OCC(N)=O ZINC000072393139 556964272 /nfs/dbraw/zinc/96/42/72/556964272.db2.gz AGXUJLJYYUXGNZ-GOSISDBHSA-N 1 0 449.511 2.084 40 0 IEABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3nonc3C)[nH]c(=O)c2C1 ZINC000072398803 556971181 /nfs/dbraw/zinc/97/11/81/556971181.db2.gz DVJYBYPHSYSWLM-INIZCTEOSA-N 1 0 440.529 2.367 40 0 IEABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000585106180 557039516 /nfs/dbraw/zinc/03/95/16/557039516.db2.gz AQAYOMFBRLONJG-DBVUQKKJSA-N 1 0 435.590 2.085 40 0 IEABRO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C[NH2+][C@@]34C(=O)Nc3ccc(Br)cc34)C2=O)cc1 ZINC000023109616 557063879 /nfs/dbraw/zinc/06/38/79/557063879.db2.gz ZWGQGNLBFCJSOG-JOTOCRJQSA-N 1 0 426.270 2.314 40 0 IEABRO CCOCCCNC(=S)N(CCC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000006195245 557148669 /nfs/dbraw/zinc/14/86/69/557148669.db2.gz BDDYKDATBOYHEQ-UHFFFAOYSA-N 1 0 448.589 2.312 40 0 IEABRO COc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000006198521 557150007 /nfs/dbraw/zinc/15/00/07/557150007.db2.gz FZPAYRBKMCICTE-LJQANCHMSA-N 1 0 432.590 2.344 40 0 IEABRO COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CC[NH+](Cc4ccncc4)CC3)O2)cc1 ZINC000096036702 557163746 /nfs/dbraw/zinc/16/37/46/557163746.db2.gz VZDZKIJZFUHZLB-JOCHJYFZSA-N 1 0 447.539 2.493 40 0 IEABRO CNC(=O)CN1CC2(CC[NH+](Cc3cccs3)CC2)COc2ccccc2S1(=O)=O ZINC000096037191 557164429 /nfs/dbraw/zinc/16/44/29/557164429.db2.gz JMMTUEHAEZVTOC-UHFFFAOYSA-N 1 0 449.598 2.160 40 0 IEABRO CN1C(=O)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)NCCc1ccccc1)CC2 ZINC000096143578 557170492 /nfs/dbraw/zinc/17/04/92/557170492.db2.gz BSDMCARPEBZXEI-XZOQPEGZSA-N 1 0 447.583 2.389 40 0 IEABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N(C)C)C1)CCN(S(=O)(=O)c1ccc(OC)cc1)CC3 ZINC000096143884 557171320 /nfs/dbraw/zinc/17/13/20/557171320.db2.gz JGHCYRJHELZHRI-NZQKXSOJSA-N 1 0 449.617 2.286 40 0 IEABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(C(=O)NCc1cccc(OC)c1)CC3 ZINC000096143871 557171425 /nfs/dbraw/zinc/17/14/25/557171425.db2.gz QEDMUGNOPMFVOH-GBXCKJPGSA-N 1 0 428.577 2.465 40 0 IEABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2cc(F)cc(F)c2)CC3)C1=O ZINC000096144361 557172443 /nfs/dbraw/zinc/17/24/43/557172443.db2.gz OPMXPMFQLFIUNF-QHCPKHFHSA-N 1 0 435.515 2.388 40 0 IEABRO CC(C)CCN1Cc2c(C(=O)N3CC[C@@H]([NH+](C)C)C3)ncn2-c2ccccc2S1(=O)=O ZINC000096147518 557177321 /nfs/dbraw/zinc/17/73/21/557177321.db2.gz XIZGTPKCINPFMJ-QGZVFWFLSA-N 1 0 445.589 2.199 40 0 IEABRO Cc1ccsc1C(=O)N1CCC[C@]2(C(=O)N(C)C)C[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251310 557188219 /nfs/dbraw/zinc/18/82/19/557188219.db2.gz NQPXUFRPPLOYHY-GCJKJVERSA-N 1 0 429.590 2.233 40 0 IEABRO CNC(=O)[C@@]12CCC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096262411 557189952 /nfs/dbraw/zinc/18/99/52/557189952.db2.gz OPGPWXWRVIHABY-FXAWDEMLSA-N 1 0 425.982 2.199 40 0 IEABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(C(=O)Cc2cccc(F)c2)CC3)C1=O ZINC000096262796 557190450 /nfs/dbraw/zinc/19/04/50/557190450.db2.gz GBDFFXIMPPQMMQ-DEOSSOPVSA-N 1 0 431.552 2.178 40 0 IEABRO CC(C)(NC(=O)c1ccccc1F)C(=O)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000585261762 557196647 /nfs/dbraw/zinc/19/66/47/557196647.db2.gz HWDPIFAVOSCZQB-VWLOTQADSA-N 1 0 439.531 2.356 40 0 IEABRO O=C(c1ccccc1Cn1cccn1)N1CC[C@@](O)(C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000585262135 557200913 /nfs/dbraw/zinc/20/09/13/557200913.db2.gz CFRYWLUROPYLRP-AREMUKBSSA-N 1 0 445.567 2.331 40 0 IEABRO C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cccnn1 ZINC000585262424 557201862 /nfs/dbraw/zinc/20/18/62/557201862.db2.gz AHCSPJQBRNADAA-LUKWVAJMSA-N 1 0 436.487 2.427 40 0 IEABRO COc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1Cl ZINC000010111175 557204136 /nfs/dbraw/zinc/20/41/36/557204136.db2.gz FDHCELIMBUYUSW-UHFFFAOYSA-N 1 0 431.986 2.497 40 0 IEABRO COc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1Cl ZINC000010540596 557222223 /nfs/dbraw/zinc/22/22/23/557222223.db2.gz BXFTZNNHEUAIDQ-UHFFFAOYSA-N 1 0 431.986 2.353 40 0 IEABRO Cc1ccc(N2CCC(O)(C[N@@H+]3CC[C@@H]4[C@H](C3)CCCCN4S(C)(=O)=O)CC2)cc1 ZINC000585284476 557224194 /nfs/dbraw/zinc/22/41/94/557224194.db2.gz SNZRZTHAHUZHBU-RBBKRZOGSA-N 1 0 435.634 2.462 40 0 IEABRO Cc1ccc(N2CCC(O)(C[N@@H+]3CCOC[C@@](O)(COc4ccccc4)C3)CC2)cc1 ZINC000585287179 557225915 /nfs/dbraw/zinc/22/59/15/557225915.db2.gz KFXIGUHYOXEZRL-RUZDIDTESA-N 1 0 426.557 2.469 40 0 IEABRO CCOC(=O)N1CCC([N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3cc(C)cc(C)c3)C2)CC1 ZINC000585287193 557225944 /nfs/dbraw/zinc/22/59/44/557225944.db2.gz KSDNIHKBJKLKOC-DEOSSOPVSA-N 1 0 447.576 2.198 40 0 IEABRO COc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccccc2)cc1C ZINC000219141626 557227566 /nfs/dbraw/zinc/22/75/66/557227566.db2.gz OFDCYCKZKCFBEO-UHFFFAOYSA-N 1 0 431.558 2.409 40 0 IEABRO OC1(C[N@@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)CCN(c2ccccc2F)CC1 ZINC000585287516 557227697 /nfs/dbraw/zinc/22/76/97/557227697.db2.gz NOCZGYIWIGQHPO-DEOSSOPVSA-N 1 0 448.510 2.438 40 0 IEABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)C1 ZINC000585291470 557228967 /nfs/dbraw/zinc/22/89/67/557228967.db2.gz QFLHBVBBUWEHRO-CTNGQTDRSA-N 1 0 436.961 2.105 40 0 IEABRO CC(C)(C)N1C(=O)[C@H]2[C@@H](Cc3ccc(O)cc3)[NH2+][C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O ZINC000103517926 557315957 /nfs/dbraw/zinc/31/59/57/557315957.db2.gz WDDYSDDYCOLBBE-XMODTWTHSA-N 1 0 437.471 2.293 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000013640128 557384848 /nfs/dbraw/zinc/38/48/48/557384848.db2.gz KOXGTAGMXWZOKV-OALUTQOASA-N 1 0 441.919 2.263 40 0 IEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000013640123 557384867 /nfs/dbraw/zinc/38/48/67/557384867.db2.gz KOXGTAGMXWZOKV-RBUKOAKNSA-N 1 0 441.919 2.263 40 0 IEABRO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCC[NH+]1CCCCCC1 ZINC000223179617 557442207 /nfs/dbraw/zinc/44/22/07/557442207.db2.gz PUVMJQKMUZWNCY-UHFFFAOYSA-N 1 0 425.595 2.260 40 0 IEABRO COCCn1nnnc1[C@@H](c1cccc(OC)c1OC)N1CC[NH+](C2CCCCC2)CC1 ZINC000019594038 557506327 /nfs/dbraw/zinc/50/63/27/557506327.db2.gz HYGFDBAFMHUPCE-OAQYLSRUSA-N 1 0 444.580 2.376 40 0 IEABRO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1F ZINC000224518448 557615495 /nfs/dbraw/zinc/61/54/95/557615495.db2.gz LCIZDINZNXSZCI-UHFFFAOYSA-N 1 0 433.549 2.500 40 0 IEABRO COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224640233 557634777 /nfs/dbraw/zinc/63/47/77/557634777.db2.gz XDPHHFVUIGFYPA-UHFFFAOYSA-N 1 0 431.558 2.228 40 0 IEABRO Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)O2 ZINC000224788728 557651359 /nfs/dbraw/zinc/65/13/59/557651359.db2.gz KEGAMHGQJNDFTM-QFIPXVFZSA-N 1 0 443.569 2.434 40 0 IEABRO COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224804318 557653066 /nfs/dbraw/zinc/65/30/66/557653066.db2.gz RTPQUSZZBILWAI-UHFFFAOYSA-N 1 0 431.558 2.228 40 0 IEABRO COc1ccccc1N(CCCC(=O)NCCC[N@@H+]1CCC[C@H](C)C1)S(C)(=O)=O ZINC000260764737 557854010 /nfs/dbraw/zinc/85/40/10/557854010.db2.gz LRRUEGOWFSMPLZ-SFHVURJKSA-N 1 0 425.595 2.480 40 0 IEABRO O=C1NCCN1CCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585270614 568617199 /nfs/dbraw/zinc/61/71/99/568617199.db2.gz ADXMFSWFQQZEFX-XMMPIXPASA-N 1 0 425.529 2.497 40 0 IEABRO O[C@@]1(C[NH+]2CCC(F)(F)CC2)CCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000585274733 568618455 /nfs/dbraw/zinc/61/84/55/568618455.db2.gz ZUKKDSNWLJLQMC-JOCHJYFZSA-N 1 0 439.547 2.066 40 0 IEABRO OC1(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCN(c2cccc(F)c2)CC1 ZINC000585287783 568619434 /nfs/dbraw/zinc/61/94/34/568619434.db2.gz RMXNEBCVJRXQRO-XMMPIXPASA-N 1 0 448.510 2.438 40 0 IEABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)C2(C)CCN(c3ncccn3)CC2)C1 ZINC000257202689 568666413 /nfs/dbraw/zinc/66/64/13/568666413.db2.gz AMWNPZJKXPSSET-XMMPIXPASA-N 1 0 441.551 2.318 40 0 IEABRO CN(CC1(O)CCN(c2ccnc3cccnc32)CC1)C(=O)c1cccc(OCC[NH3+])c1 ZINC000257224336 568676415 /nfs/dbraw/zinc/67/64/15/568676415.db2.gz FBJNIRKQHGSTOG-UHFFFAOYSA-N 1 0 435.528 2.071 40 0 IEABRO O[C@@]1(Cn2cccn2)CN(Cc2ccnc(N3CCCC3)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000257225220 568676819 /nfs/dbraw/zinc/67/68/19/568676819.db2.gz FFIVOPGZBCCYHU-RUZDIDTESA-N 1 0 447.587 2.022 40 0 IEABRO Cc1ccnn1CCC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257237365 568682494 /nfs/dbraw/zinc/68/24/94/568682494.db2.gz HGCXNHKASVBWKM-VDKIKQQVSA-N 1 0 440.588 2.272 40 0 IEABRO Cn1ccnc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+](C)Cc1ccccc1 ZINC000257244949 568686103 /nfs/dbraw/zinc/68/61/03/568686103.db2.gz INLGLYJGTKAVRJ-CZYKHXBRSA-N 1 0 438.503 2.370 40 0 IEABRO C[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@@H]3c3cncc(-n4ccnc4)n3)cc2)CC1 ZINC000257285449 568704720 /nfs/dbraw/zinc/70/47/20/568704720.db2.gz PHCSBGTVCDPUAE-JOCHJYFZSA-N 1 0 446.559 2.190 40 0 IEABRO O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1)c1n[nH]c2c1CCC2 ZINC000257312112 568716204 /nfs/dbraw/zinc/71/62/04/568716204.db2.gz UMONYMPTWBIOJQ-WRALFONMSA-N 1 0 438.572 2.202 40 0 IEABRO Cc1nccn1C[C@@]1(O)CN(C(=O)c2ccnc(Oc3cccc(F)c3)c2)CC[N@@H+](C)C1 ZINC000257320406 568720105 /nfs/dbraw/zinc/72/01/05/568720105.db2.gz VWQSUMNBQHMARK-HSZRJFAPSA-N 1 0 439.491 2.337 40 0 IEABRO CN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H](O)[C@](O)(C[NH+]2CCC(c3ccccc3)CC2)[C@@H](O)C1 ZINC000257334414 568726176 /nfs/dbraw/zinc/72/61/76/568726176.db2.gz YFTSLZBFPNGHBX-ZSALWYTGSA-N 1 0 434.577 2.348 40 0 IEABRO COc1ccc(C[N@@H+]2CC[C@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)cc1 ZINC000306128972 568765464 /nfs/dbraw/zinc/76/54/64/568765464.db2.gz HPWCNQFQONIFFW-DEOSSOPVSA-N 1 0 436.487 2.049 40 0 IEABRO O=C(NC[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccccc3-n3cccn3)C2)O1)c1cccnc1 ZINC000306129954 568765994 /nfs/dbraw/zinc/76/59/94/568765994.db2.gz ISGBEDFNZSJXKA-RCZVLFRGSA-N 1 0 447.539 2.447 40 0 IEABRO CCCCNC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@]2(CC(C(=O)N3CCCC3)=NO2)C1 ZINC000306133656 568767993 /nfs/dbraw/zinc/76/79/93/568767993.db2.gz MSJLLACBIZQHRB-URXFXBBRSA-N 1 0 441.576 2.498 40 0 IEABRO CC(C)N1CC[N@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NC[C@H]3CCCO3)cn21 ZINC000306134623 568768353 /nfs/dbraw/zinc/76/83/53/568768353.db2.gz NTSGFGPJYWKMJG-WOJBJXKFSA-N 1 0 426.565 2.115 40 0 IEABRO CS(=O)(=O)N[C@@H]1CCN(C(=O)NC2CCCC2)C[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000306134573 568768429 /nfs/dbraw/zinc/76/84/29/568768429.db2.gz NSJIFSWPFGDBFM-QUCCMNQESA-N 1 0 440.635 2.216 40 0 IEABRO CS(=O)(=O)N[C@H]1CCN(C(=O)NC2CCCC2)C[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000306134572 568768486 /nfs/dbraw/zinc/76/84/86/568768486.db2.gz NSJIFSWPFGDBFM-ICSRJNTNSA-N 1 0 440.635 2.216 40 0 IEABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306141624 568772159 /nfs/dbraw/zinc/77/21/59/568772159.db2.gz WCEGGZIDLLWJSN-RTBURBONSA-N 1 0 431.496 2.241 40 0 IEABRO C[C@@H](CO)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328966296 568807936 /nfs/dbraw/zinc/80/79/36/568807936.db2.gz CKZQVRCUDLDYGX-AWEZNQCLSA-N 1 0 439.482 2.480 40 0 IEABRO CC[NH+](CC)CCCN(CC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000575424514 568864465 /nfs/dbraw/zinc/86/44/65/568864465.db2.gz TUWJNIOUTFUCKE-SFHVURJKSA-N 1 0 426.579 2.108 40 0 IEABRO CCCCOc1ccc(C(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)cc1 ZINC000224329262 568918560 /nfs/dbraw/zinc/91/85/60/568918560.db2.gz HVKSLTHFTAANMT-UHFFFAOYSA-N 1 0 425.533 2.455 40 0 IEABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)[C@H]4CCOC4)[nH]c(=O)c3C2)cc1 ZINC000247891991 569206361 /nfs/dbraw/zinc/20/63/61/569206361.db2.gz MXFAMQBQRSOSMT-UWJYYQICSA-N 1 0 438.528 2.449 40 0 IEABRO CC1CC[NH+](CCC(=O)N2CCO[C@@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)CC1 ZINC000019693106 569228583 /nfs/dbraw/zinc/22/85/83/569228583.db2.gz UKYZIHIEFIANMR-HXUWFJFHSA-N 1 0 437.544 2.264 40 0 IEABRO O=C(C1CCC1)N1CCC(N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699321 569230401 /nfs/dbraw/zinc/23/04/01/569230401.db2.gz ZJQJUOWHHWHHRO-UHFFFAOYSA-N 1 0 438.572 2.407 40 0 IEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccc(F)cc3)C1)C2=O ZINC000019699705 569230710 /nfs/dbraw/zinc/23/07/10/569230710.db2.gz ZDDHUJDWCLREPW-HXUWFJFHSA-N 1 0 444.551 2.402 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccc(F)cc3)C1)C2=O ZINC000019699926 569230868 /nfs/dbraw/zinc/23/08/68/569230868.db2.gz NQSTWVMKNGPMML-LJQANCHMSA-N 1 0 430.524 2.156 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3cccc(C)c3)C1)C2=O ZINC000019699931 569230873 /nfs/dbraw/zinc/23/08/73/569230873.db2.gz AUVJTUFIAQRDGC-FQEVSTJZSA-N 1 0 426.561 2.325 40 0 IEABRO CCCC(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699958 569231006 /nfs/dbraw/zinc/23/10/06/569231006.db2.gz ROXLPMNXYWIVKT-HXUWFJFHSA-N 1 0 426.561 2.407 40 0 IEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccccc3OCC)C1)C2=O ZINC000019700012 569231060 /nfs/dbraw/zinc/23/10/60/569231060.db2.gz RHPAPGLSRPDYPF-SFHVURJKSA-N 1 0 442.560 2.486 40 0 IEABRO CC[NH+](CC)CC(=O)N1CCO[C@@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703121 569232759 /nfs/dbraw/zinc/23/27/59/569232759.db2.gz VNKRFQUKRHLDQC-QGZVFWFLSA-N 1 0 446.573 2.010 40 0 IEABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN(C(=O)CN(C)Cc3ccc(F)cc3)C2)n1 ZINC000019709555 569234752 /nfs/dbraw/zinc/23/47/52/569234752.db2.gz CUBWOWJIKPBQMM-GOSISDBHSA-N 1 0 428.556 2.239 40 0 IEABRO CC1CC[NH+](CCNS(=O)(=O)c2ccc3c(c2)C[C@H](NC(=O)C2CCCC2)C3)CC1 ZINC000019749580 569236715 /nfs/dbraw/zinc/23/67/15/569236715.db2.gz FMDYYDKGFYDHCS-OAQYLSRUSA-N 1 0 433.618 2.470 40 0 IEABRO O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CC[N@H+](CC4CC4)C[C@@H]13)O2 ZINC000253403363 569265052 /nfs/dbraw/zinc/26/50/52/569265052.db2.gz PSTFUYYBVXBMHP-ZJOUEHCJSA-N 1 0 427.545 2.059 40 0 IEABRO C[NH+](C)CCNc1nc(-c2ccccn2)cc(=NNc2ccc(N[SH](=O)=O)cc2)[nH]1 ZINC000329012605 569582814 /nfs/dbraw/zinc/58/28/14/569582814.db2.gz MLAQUKJRCREJFH-UHFFFAOYSA-N 1 0 428.522 2.720 40 0 IEABRO