smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)CC1 ZINC000049155471 291231804 /nfs/dbraw/zinc/23/18/04/291231804.db2.gz SGXDSVWJUWADPH-NRFANRHFSA-N 1 0 418.501 3.341 40 0 biogenic,in-vitro HGABRO CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH+]3CCN(CCO)CC3)C=C2C)o1 ZINC000035442699 291234028 /nfs/dbraw/zinc/23/40/28/291234028.db2.gz SEUULPMQXPZIMG-ACRUOGEOSA-N 1 0 404.599 3.029 40 0 biogenic,in-vitro HGABRO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH2+]CCO)C[C@@H](c3ccccc3)N21 ZINC000012603084 291236123 /nfs/dbraw/zinc/23/61/23/291236123.db2.gz MKISYXAMDJIFRC-QMZRJTEUSA-N 1 0 419.525 3.094 40 0 biogenic,in-vitro HGABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(F)cc4)CCN3C(C)(C)C2)cc1 ZINC000253405363 291240193 /nfs/dbraw/zinc/24/01/93/291240193.db2.gz SEMKPEXIAGRAKY-OAQYLSRUSA-N 1 0 411.521 3.255 40 0 biogenic,in-vitro HGABRO O[C@@H]1C[C@H](c2ccc(C(F)(F)F)nc2)[C@@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H]1O ZINC000077261958 291246187 /nfs/dbraw/zinc/24/61/87/291246187.db2.gz YIPRAAGBKGHVIA-RARDXLECSA-N 1 0 403.404 3.016 40 0 biogenic,in-vitro HGABRO Cn1ccnc1[C@H](O)c1cccc(F)c1N1CC[NH+](CCCc2ccccc2)CC1 ZINC000012143388 132354935 /nfs/dbraw/zinc/35/49/35/132354935.db2.gz PNYCRMJRMLGCGU-HSZRJFAPSA-N 1 0 408.521 3.396 40 0 HGABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857113 524912381 /nfs/dbraw/zinc/91/23/81/524912381.db2.gz QQVWSEQSLUQBCX-KRWDZBQOSA-N 1 0 400.544 3.180 40 0 HGABRO Cc1c(C[NH+]2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccc2n1C ZINC000072338964 525703984 /nfs/dbraw/zinc/70/39/84/525703984.db2.gz UCDPEJKCAMFMOJ-HSZRJFAPSA-N 1 0 424.570 3.429 40 0 HGABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(C)c3OC)cc2)CC1 ZINC000006517679 557706111 /nfs/dbraw/zinc/70/61/11/557706111.db2.gz ZGLBCOJVGAWSPM-UHFFFAOYSA-N 1 0 412.559 3.272 40 0 HGABRO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000009012096 557819110 /nfs/dbraw/zinc/81/91/10/557819110.db2.gz MKPIBSLBSTYPPT-OYSWMMLKSA-N 1 0 423.472 3.271 40 0 HGABRO Cc1ncc(C(=O)N2CCCC2)c(CC2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)n1 ZINC000019757189 558274857 /nfs/dbraw/zinc/27/48/57/558274857.db2.gz SNPYQACNATYCHB-UHFFFAOYSA-N 1 0 424.593 3.496 40 0 HGABRO CCC(=O)N1CCc2cc([C@H](O)C[NH+]3CCC(O)(c4ccc(C)cc4)CC3)ccc21 ZINC000012181116 558342681 /nfs/dbraw/zinc/34/26/81/558342681.db2.gz LYYNOWRTTGYYLJ-HSZRJFAPSA-N 1 0 408.542 3.311 40 0 HGABRO CC(C)NC(=O)Cn1cc(C[N@@H+]2CCC[C@H](CN3CCCC3=O)C2)c2ccccc21 ZINC000012220232 558355266 /nfs/dbraw/zinc/35/52/66/558355266.db2.gz CRTANKIWCGUTCS-IBGZPJMESA-N 1 0 410.562 3.000 40 0 HGABRO C[NH+](C)Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[nH]3)CC2)cc1 ZINC000012325652 558383151 /nfs/dbraw/zinc/38/31/51/558383151.db2.gz SMIJDWDKYKWOCK-UHFFFAOYSA-N 1 0 417.513 3.326 40 0 HGABRO COC(=O)c1ccc(C[N@@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cc1 ZINC000012667142 558445396 /nfs/dbraw/zinc/44/53/96/558445396.db2.gz BCAZQRBILROASC-UHFFFAOYSA-N 1 0 418.453 3.348 40 0 HGABRO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)C[N@H+](Cc1ccc2c(c1)CCO2)CC3 ZINC000012667245 558445424 /nfs/dbraw/zinc/44/54/24/558445424.db2.gz RBCGEOFCWNQKJD-UHFFFAOYSA-N 1 0 402.454 3.497 40 0 HGABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000013669208 558560923 /nfs/dbraw/zinc/56/09/23/558560923.db2.gz TWTZIIHYKCDHPV-UHFFFAOYSA-N 1 0 401.532 3.093 40 0 HGABRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000034257318 558773531 /nfs/dbraw/zinc/77/35/31/558773531.db2.gz RJIRXXZCCHBEJI-LZWOXQAQSA-N 1 0 409.313 3.014 40 0 HGABRO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(CCc2cccs2)CC1 ZINC000036553510 558799960 /nfs/dbraw/zinc/79/99/60/558799960.db2.gz UWGUKKXCPRZCBJ-UHFFFAOYSA-N 1 0 420.478 3.196 40 0 HGABRO Cc1nc(N2CCOCC2)sc1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000036752358 558802857 /nfs/dbraw/zinc/80/28/57/558802857.db2.gz VOFVVCARZWNFCJ-IBGZPJMESA-N 1 0 414.575 3.245 40 0 HGABRO O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000038831638 558816892 /nfs/dbraw/zinc/81/68/92/558816892.db2.gz AZRCGSAIKQFNSE-UHFFFAOYSA-N 1 0 407.558 3.435 40 0 HGABRO Cc1cc2c(cc1C[NH+]1CCC([C@@H](NC(=O)C(F)F)c3ccccn3)CC1)OCO2 ZINC000019125521 558844588 /nfs/dbraw/zinc/84/45/88/558844588.db2.gz IZBXWIVYGCNIOY-HXUWFJFHSA-N 1 0 417.456 3.453 40 0 HGABRO COc1cc(C[N@H+](CCCN2CCOCC2)Cc2ccc(C)o2)cc2c1OCO2 ZINC000019216429 558850381 /nfs/dbraw/zinc/85/03/81/558850381.db2.gz FZVPYOQGSFNYRY-UHFFFAOYSA-N 1 0 402.491 3.050 40 0 HGABRO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)no1)N1CCC(O)CC1 ZINC000019349011 558874870 /nfs/dbraw/zinc/87/48/70/558874870.db2.gz VINWMFBXDFEUCH-INIZCTEOSA-N 1 0 403.910 3.305 40 0 HGABRO O=C(c1ccccn1)N1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019375584 558881660 /nfs/dbraw/zinc/88/16/60/558881660.db2.gz PJZAHWUQUSRJTI-UHFFFAOYSA-N 1 0 407.514 3.130 40 0 HGABRO c1ccc(C[N@@H+]2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)nc1 ZINC000019401622 558883623 /nfs/dbraw/zinc/88/36/23/558883623.db2.gz SFISTZLIZUFIFQ-HXUWFJFHSA-N 1 0 416.529 3.150 40 0 HGABRO COc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)c1 ZINC000019448345 558887404 /nfs/dbraw/zinc/88/74/04/558887404.db2.gz RJQRWQPPNFNZQI-OAQYLSRUSA-N 1 0 424.545 3.254 40 0 HGABRO CC(C)OC[C@@H](O)C[NH+]1CCN(Cc2c3cccnc3[nH]c2-c2cccs2)CC1 ZINC000019450398 558888905 /nfs/dbraw/zinc/88/89/05/558888905.db2.gz UJEHQMZRGYUMAO-KRWDZBQOSA-N 1 0 414.575 3.195 40 0 HGABRO C[C@H]1CN(C(=O)c2c[nH]nc2C2CC[NH+](Cc3ccccc3F)CC2)C[C@H](C)O1 ZINC000019497345 558896407 /nfs/dbraw/zinc/89/64/07/558896407.db2.gz GELQOBTXWFMBTM-HOTGVXAUSA-N 1 0 400.498 3.178 40 0 HGABRO CCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019501318 558899257 /nfs/dbraw/zinc/89/92/57/558899257.db2.gz BURUEWBWZCTNMV-OAHLLOKOSA-N 1 0 400.548 3.308 40 0 HGABRO CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)c2N1 ZINC000019520884 558902289 /nfs/dbraw/zinc/90/22/89/558902289.db2.gz WCGCQEJTTKUFCJ-YCPHGPKFSA-N 1 0 401.477 3.431 40 0 HGABRO CCN1CC[N@H+](CC2=CCCOC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527441 558908594 /nfs/dbraw/zinc/90/85/94/558908594.db2.gz ABEDEFHDBNTABR-DEOSSOPVSA-N 1 0 405.542 3.418 40 0 HGABRO COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[nH]c(NCCCc3ccccn3)n2)c1 ZINC000019566202 558925826 /nfs/dbraw/zinc/92/58/26/558925826.db2.gz NMXYYYXPVOYCSH-VQTJNVASSA-N 1 0 405.502 3.101 40 0 HGABRO COc1cc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc(OC)c1OC ZINC000072327092 558933854 /nfs/dbraw/zinc/93/38/54/558933854.db2.gz PAQJYZAUPJSJMN-UHFFFAOYSA-N 1 0 422.529 3.192 40 0 HGABRO CCn1cncc1C[NH+]1CCC(O)(Cn2c(C(F)(F)F)cc3cccnc32)CC1 ZINC000019578589 558934214 /nfs/dbraw/zinc/93/42/14/558934214.db2.gz YJWDAFNCOMLECW-UHFFFAOYSA-N 1 0 407.440 3.299 40 0 HGABRO Cc1c([C@H](O)C[NH+]2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc2n1C ZINC000019581797 558937079 /nfs/dbraw/zinc/93/70/79/558937079.db2.gz VIKLMTOUBDCLTD-HSZRJFAPSA-N 1 0 418.541 3.397 40 0 HGABRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(Cl)cc1)Cc1ccccc1O2 ZINC000019588439 558940078 /nfs/dbraw/zinc/94/00/78/558940078.db2.gz BTMYPHQWFPOHSD-UHFFFAOYSA-N 1 0 406.935 3.388 40 0 HGABRO CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](Cc3cccs3)CC2)o1 ZINC000072344894 558941335 /nfs/dbraw/zinc/94/13/35/558941335.db2.gz BHCQGSOXEBPDOD-KRWDZBQOSA-N 1 0 424.592 3.387 40 0 HGABRO COCc1ccc(OC)c(C[N@@H+]2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)c1 ZINC000019594350 558945290 /nfs/dbraw/zinc/94/52/90/558945290.db2.gz ZFIMJSNASFBZKU-KRWDZBQOSA-N 1 0 413.547 3.469 40 0 HGABRO O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000019661358 558952394 /nfs/dbraw/zinc/95/23/94/558952394.db2.gz WFRKYVNOVIGMFL-UHFFFAOYSA-N 1 0 410.484 3.404 40 0 HGABRO O=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000019697817 558965451 /nfs/dbraw/zinc/96/54/51/558965451.db2.gz YRHUNWXQQCNTLH-LJQANCHMSA-N 1 0 421.545 3.054 40 0 HGABRO CC[NH+]1CCC(CC(=O)N2CCC(c3ccc(C(=O)NCC4CC4)cn3)CC2)CC1 ZINC000019708378 558970543 /nfs/dbraw/zinc/97/05/43/558970543.db2.gz ZCUIZGINBBSQDM-UHFFFAOYSA-N 1 0 412.578 3.049 40 0 HGABRO Cc1ccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)cc1 ZINC000072394955 558973751 /nfs/dbraw/zinc/97/37/51/558973751.db2.gz KENWIABETVAWCT-RPWUZVMVSA-N 1 0 421.585 3.353 40 0 HGABRO C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)C[N@H+](CC2CCCCC2)CC3)CC1 ZINC000072398735 558976368 /nfs/dbraw/zinc/97/63/68/558976368.db2.gz DJNQQKJQDPXHIO-LPHOPBHVSA-N 1 0 412.578 3.070 40 0 HGABRO Cc1c(C(=O)Nc2cc(C)ccc2OCC[NH+](C)C)sc2[nH]c(C)nc(=O)c12 ZINC000019718994 558982555 /nfs/dbraw/zinc/98/25/55/558982555.db2.gz VSYHNWGHDZTPNW-UHFFFAOYSA-N 1 0 400.504 3.103 40 0 HGABRO Cc1cc(C)n2nc(CC(=O)Nc3ccc(CC[C@H]4CC[N@@H+](C)C[C@H]4C)cc3)nc2n1 ZINC000257207090 558988929 /nfs/dbraw/zinc/98/89/29/558988929.db2.gz BGGZICMIEFPWTK-UZLBHIALSA-N 1 0 420.561 3.443 40 0 HGABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)C2(c3ccc(C)cc3)CC2)CC1 ZINC000585106196 559028503 /nfs/dbraw/zinc/02/85/03/559028503.db2.gz BNAUKOGZFBJDKF-FCEUIQTBSA-N 1 0 423.601 3.254 40 0 HGABRO C[C@H](C[N@@H+]1C[C@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@H]21)c1ccccc1 ZINC000585108037 559029826 /nfs/dbraw/zinc/02/98/26/559029826.db2.gz XKSOIVWCAUSGSI-LDBYXDLTSA-N 1 0 406.498 3.463 40 0 HGABRO CCCN1CCN(C(=O)CC[NH3+])C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O ZINC000585183553 559070304 /nfs/dbraw/zinc/07/03/04/559070304.db2.gz ADBNMFYTKSBMOE-FQEVSTJZSA-N 1 0 411.521 3.081 40 0 HGABRO O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000585183670 559070470 /nfs/dbraw/zinc/07/04/70/559070470.db2.gz ZCSWSOBMHIZHLA-FQEVSTJZSA-N 1 0 409.452 3.395 40 0 HGABRO Cc1occc1C(=O)N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC000096052886 559092604 /nfs/dbraw/zinc/09/26/04/559092604.db2.gz CCMDCFFJJVMETI-LJQANCHMSA-N 1 0 423.557 3.317 40 0 HGABRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21 ZINC000096052883 559092655 /nfs/dbraw/zinc/09/26/55/559092655.db2.gz LAWFNRMFYPRDNT-LJQANCHMSA-N 1 0 409.530 3.009 40 0 HGABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)CCc3ccccc3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144199 559096510 /nfs/dbraw/zinc/09/65/10/559096510.db2.gz BUYXUYVZOBKWHA-RUZDIDTESA-N 1 0 411.590 3.048 40 0 HGABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)CCc3ccccc3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144200 559096524 /nfs/dbraw/zinc/09/65/24/559096524.db2.gz BUYXUYVZOBKWHA-VWLOTQADSA-N 1 0 411.590 3.048 40 0 HGABRO CCN1CC[C@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2cccc(C)c2)CC3)C1=O ZINC000096144323 559096628 /nfs/dbraw/zinc/09/66/28/559096628.db2.gz GNBZIARQVCCLHJ-VWLOTQADSA-N 1 0 411.590 3.428 40 0 HGABRO CCN1[C@H]2CC[N@H+](Cc3cccc(OC)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145740 559097531 /nfs/dbraw/zinc/09/75/31/559097531.db2.gz HQOHCCDFTDTPDM-PMACEKPBSA-N 1 0 416.543 3.131 40 0 HGABRO CN(C)C(=O)n1c(C(=O)N2CC[C@H]([NH+](C)C)C2)cc2c1c1ccccc1n2CC1CC1 ZINC000096146527 559097908 /nfs/dbraw/zinc/09/79/08/559097908.db2.gz JGLQEDCWUDSRAS-KRWDZBQOSA-N 1 0 421.545 3.312 40 0 HGABRO CCC(CC)NC(=O)c1ccc2nnc([C@H]3C[N@H+](CC4CC4)CCN3C(C)C)n2c1 ZINC000096156822 559100714 /nfs/dbraw/zinc/10/07/14/559100714.db2.gz DPONANJIXYGCGG-HXUWFJFHSA-N 1 0 412.582 3.125 40 0 HGABRO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)n1 ZINC000096216182 559101928 /nfs/dbraw/zinc/10/19/28/559101928.db2.gz MQBLCJHMPYUPMS-NRFANRHFSA-N 1 0 403.523 3.206 40 0 HGABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CCCC2)Cn2ccnc23)cc1C ZINC000096243698 559104804 /nfs/dbraw/zinc/10/48/04/559104804.db2.gz SHGDJBWWWZPDFK-NRFANRHFSA-N 1 0 408.546 3.012 40 0 HGABRO Cn1ccnc1COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585270784 559116391 /nfs/dbraw/zinc/11/63/91/559116391.db2.gz QMYIWFHHKVLDBQ-DEOSSOPVSA-N 1 0 407.514 3.405 40 0 HGABRO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)C[NH2+]CCO2)ccc1Cl ZINC000585271323 559116645 /nfs/dbraw/zinc/11/66/45/559116645.db2.gz FCHHHDQBYKAWPO-JOCHJYFZSA-N 1 0 402.922 3.435 40 0 HGABRO CO[C@@]1(COc2ccccc2F)CCC[N@H+](CC(=O)NCc2ccccc2)CC1 ZINC000585272067 559117917 /nfs/dbraw/zinc/11/79/17/559117917.db2.gz FJUGKHQNJMPUAO-QHCPKHFHSA-N 1 0 400.494 3.392 40 0 HGABRO Cc1cccc(OC[C@@]2(O)C[N@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 ZINC000585287200 559122173 /nfs/dbraw/zinc/12/21/73/559122173.db2.gz KXVLGQITDZTHHE-SJROBZAFSA-N 1 0 405.579 3.139 40 0 HGABRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000072216621 559169517 /nfs/dbraw/zinc/16/95/17/559169517.db2.gz IUSHXNZPWILVGY-NRFANRHFSA-N 1 0 414.575 3.058 40 0 HGABRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000072216561 559169579 /nfs/dbraw/zinc/16/95/79/559169579.db2.gz KUYALWMIGPRJGL-NRFANRHFSA-N 1 0 414.575 3.058 40 0 HGABRO COc1ccc2c3c1O[C@@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@](C)(C(C)(C)O)C2 ZINC000253503888 560038546 /nfs/dbraw/zinc/03/85/46/560038546.db2.gz AKBVQTSSRCUQMV-RYRWCEQPSA-N 1 0 411.542 3.077 40 0 biogenic,in-vitro HGABRO Cc1cccc2cc(CN(CC[NH+](C)C)C(=S)NCCc3ccccc3)c(=O)[nH]c12 ZINC000004133476 560600472 /nfs/dbraw/zinc/60/04/72/560600472.db2.gz IKTOYUWMRWLDCO-UHFFFAOYSA-N 1 0 422.598 3.317 40 0 HGABRO Cc1cc2cc(CN(CC[NH+](C)C)C(=S)NCc3ccco3)c(=O)[nH]c2cc1C ZINC000004133565 560600653 /nfs/dbraw/zinc/60/06/53/560600653.db2.gz ZFRZFSNWWRAZBB-UHFFFAOYSA-N 1 0 412.559 3.176 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000409052730 560669525 /nfs/dbraw/zinc/66/95/25/560669525.db2.gz HXWOXDUAHMBITL-LADMSCKDSA-O 1 0 404.877 3.356 40 0 HGABRO Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccccc2)c1 ZINC000409056449 560670381 /nfs/dbraw/zinc/67/03/81/560670381.db2.gz GOKDFCIEXDHKQE-WXUIRWOTSA-O 1 0 402.449 3.150 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@@H]1c1ccccc1)c1ccccc1 ZINC000409060045 560671102 /nfs/dbraw/zinc/67/11/02/560671102.db2.gz VAKLZXHPWMTFTJ-MKTJXXHISA-O 1 0 404.877 3.356 40 0 HGABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)c1 ZINC000409060732 560671189 /nfs/dbraw/zinc/67/11/89/560671189.db2.gz UNYMVJHZNZAQAA-WFZBXURCSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2cccc(C)c2)[C@H]1c1ccccc1 ZINC000409055525 560671572 /nfs/dbraw/zinc/67/15/72/560671572.db2.gz CIUAMOWWHMPKBR-WFZBXURCSA-O 1 0 414.485 3.020 40 0 HGABRO COc1c(Br)cc(Br)cc1C[NH2+]CCCN1CCOCC1 ZINC000008469486 560755256 /nfs/dbraw/zinc/75/52/56/560755256.db2.gz BNFSGHWGMVRWLP-UHFFFAOYSA-N 1 0 422.161 3.032 40 0 HGABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(OC)cc3)cc2)CC1 ZINC000017094084 560868601 /nfs/dbraw/zinc/86/86/01/560868601.db2.gz QBJDPOZXKVQPFT-AWNIVKPZSA-N 1 0 424.570 3.364 40 0 HGABRO Cc1ccc([C@@H](CNC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)[NH+](C)C)cc1 ZINC000019136431 560871977 /nfs/dbraw/zinc/87/19/77/560871977.db2.gz WWSHJNGYLJNVMF-YOTRHBAISA-N 1 0 407.562 3.301 40 0 HGABRO C[NH+]1CCC(Oc2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)CC1 ZINC000219141206 568487196 /nfs/dbraw/zinc/48/71/96/568487196.db2.gz SPDGBKGYULSKJP-UHFFFAOYSA-N 1 0 421.497 3.175 40 0 HGABRO CCCCCC[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382227 568489413 /nfs/dbraw/zinc/48/94/13/568489413.db2.gz LPWDEWKTJGCAIM-SSGKUCQKSA-N 1 0 413.562 3.126 40 0 biogenic,in-vitro HGABRO CC[C@@H](OC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000022870651 568500324 /nfs/dbraw/zinc/50/03/24/568500324.db2.gz BURKISBUYAVOCA-FGZHOGPDSA-N 1 0 412.530 3.062 40 0 HGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000223521801 568550899 /nfs/dbraw/zinc/55/08/99/568550899.db2.gz ZBXLDAAZLFNNNX-INIZCTEOSA-N 1 0 413.609 3.300 40 0 HGABRO COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223714474 568557048 /nfs/dbraw/zinc/55/70/48/568557048.db2.gz QJFGOURJGYBVGF-SFTDATJTSA-N 1 0 421.526 3.193 40 0 HGABRO COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223714525 568557098 /nfs/dbraw/zinc/55/70/98/568557098.db2.gz QJFGOURJGYBVGF-RTWAWAEBSA-N 1 0 421.526 3.193 40 0 HGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000224008629 568566093 /nfs/dbraw/zinc/56/60/93/568566093.db2.gz HXDRUJXVXBWPMZ-AWEZNQCLSA-N 1 0 402.944 3.060 40 0 HGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000242473239 568599086 /nfs/dbraw/zinc/59/90/86/568599086.db2.gz FDKSSCHDQAEKOZ-JQVVWYNYSA-N 1 0 416.543 3.157 40 0 HGABRO COC(=O)CSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000260813220 568740113 /nfs/dbraw/zinc/74/01/13/568740113.db2.gz QYVSQYKYUGOYIW-ZDUSSCGKSA-N 1 0 420.560 3.287 40 0 HGABRO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000257262253 568793488 /nfs/dbraw/zinc/79/34/88/568793488.db2.gz LKSNRYRHGLQCIV-VWLOTQADSA-N 1 0 416.525 3.335 40 0 HGABRO O=C(CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1)Nc1ccc(Cl)cc1 ZINC000257282605 568799187 /nfs/dbraw/zinc/79/91/87/568799187.db2.gz OULTUAHOYXTCFA-GMAHTHKFSA-N 1 0 413.949 3.380 40 0 HGABRO CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)C[NH+]1CCCCC1 ZINC000257291522 568802065 /nfs/dbraw/zinc/80/20/65/568802065.db2.gz QHJDSJHJRLSGHB-CAIUVPPLSA-N 1 0 423.601 3.474 40 0 HGABRO C[NH+]1CCC(C(=O)NC[C@@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)CC1 ZINC000257321214 568810815 /nfs/dbraw/zinc/81/08/15/568810815.db2.gz WAPNUCVFLBBNPS-YNFQPMOCSA-N 1 0 414.590 3.327 40 0 HGABRO Cc1cccnc1Nc1cccc(C2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)n1 ZINC000257332424 568813769 /nfs/dbraw/zinc/81/37/69/568813769.db2.gz XXGWFLICHIXMKD-LJQANCHMSA-N 1 0 423.561 3.203 40 0 HGABRO Cc1nc2ccccn2c1-c1nnc2sc(CC[N@@H+](C)Cc3ccccc3)nn21 ZINC000227144056 568827985 /nfs/dbraw/zinc/82/79/85/568827985.db2.gz BKVYAYBBRGADJW-UHFFFAOYSA-N 1 0 403.515 3.483 40 0 HGABRO COCCN1CC[C@@]2(C[N@H+](Cc3ccccc3F)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125425 568888165 /nfs/dbraw/zinc/88/81/65/568888165.db2.gz CQOCNVNBAKUORS-CVDCTZTESA-N 1 0 414.525 3.068 40 0 HGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23OCCN(CC2CCC2)C3=O)c1 ZINC000306126032 568888612 /nfs/dbraw/zinc/88/86/12/568888612.db2.gz DKBHTDLNPCYXGE-WIOPSUGQSA-N 1 0 422.573 3.461 40 0 HGABRO COCCN1CC[C@@]2(C[N@H+](Cc3cccc(C)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306134936 568896910 /nfs/dbraw/zinc/89/69/10/568896910.db2.gz OBXYVHMFRUGUEZ-QPPBQGQZSA-N 1 0 410.562 3.237 40 0 HGABRO Cn1cc(C[NH2+]C[C@H]2CC[C@H]3CN(C(=O)c4ccccc4)c4ccccc4CN23)cn1 ZINC000306135231 568897182 /nfs/dbraw/zinc/89/71/82/568897182.db2.gz OLJKWZVTIQXYAM-PKTZIBPZSA-N 1 0 415.541 3.203 40 0 HGABRO Cc1cnc(N2CC[C@@H](NC(=O)C(C)C)[C@]3(CC[N@H+](Cc4cccs4)C3)C2)nc1 ZINC000306136050 568898026 /nfs/dbraw/zinc/89/80/26/568898026.db2.gz PHNIALQQRMGAAE-KNQAVFIVSA-N 1 0 413.591 3.090 40 0 HGABRO Cc1cccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)n1 ZINC000306136944 568898844 /nfs/dbraw/zinc/89/88/44/568898844.db2.gz QHECZGXJEKIDMM-URXFXBBRSA-N 1 0 407.562 3.396 40 0 HGABRO Cn1c(C(=O)NC[C@@H]2CC3(CC[NH+](Cc4ccncc4)CC3)O2)cc2ccccc21 ZINC000306137497 568899348 /nfs/dbraw/zinc/89/93/48/568899348.db2.gz QXTYIOCBDKXXJR-FQEVSTJZSA-N 1 0 404.514 3.127 40 0 HGABRO Cc1cccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)c1 ZINC000306137981 568899953 /nfs/dbraw/zinc/89/99/53/568899953.db2.gz RLSKDMIMTGFOEC-QZTJIDSGSA-N 1 0 405.477 3.282 40 0 HGABRO Cc1nc2cc(Nc3cc(-c4ccccn4)nc(NCCC[NH+](C)C)n3)ccc2s1 ZINC000328969909 568970549 /nfs/dbraw/zinc/97/05/49/568970549.db2.gz DFVCFVVNJWOLCU-UHFFFAOYSA-N 1 0 419.558 3.408 40 0 HGABRO COc1ccc(Nc2cc(C3CC3)nc(NCCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000328974372 568970614 /nfs/dbraw/zinc/97/06/14/568970614.db2.gz FGCGHZIJSFAVPU-UHFFFAOYSA-N 1 0 409.456 3.332 40 0 HGABRO Cc1nc2cc(Nc3cc(-c4cccnc4)nc(NCCC[NH+](C)C)n3)ccc2s1 ZINC000329063328 568975133 /nfs/dbraw/zinc/97/51/33/568975133.db2.gz XCRBHSRSJRVILI-UHFFFAOYSA-N 1 0 419.558 3.408 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccn2)n1 ZINC000329066572 568975458 /nfs/dbraw/zinc/97/54/58/568975458.db2.gz YBCVTUASANKMID-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000225418649 569284859 /nfs/dbraw/zinc/28/48/59/569284859.db2.gz HRXDSFDFJZJLED-ZRGWGRIASA-N 1 0 407.917 3.213 40 0 HGABRO CC(=O)N[C@@H]1c2ccccc2CC[C@]12C[N@@H+](Cc1ccccc1)C[C@@H]2C(=O)NC(C)C ZINC000247960591 569315937 /nfs/dbraw/zinc/31/59/37/569315937.db2.gz VJMXMHSFPSMDPT-DGWZTRNLSA-N 1 0 419.569 3.453 40 0 HGABRO Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000010279615 569343187 /nfs/dbraw/zinc/34/31/87/569343187.db2.gz PUBPRFFKZFRCQI-UHFFFAOYSA-N 1 0 421.607 3.166 40 0 HGABRO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 ZINC000019455875 569345468 /nfs/dbraw/zinc/34/54/68/569345468.db2.gz CYTBWQLIRQCWPO-PZJWPPBQSA-N 1 0 422.573 3.021 40 0 HGABRO COc1ccc(-c2nccnc2[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CCO2)cc1 ZINC000019693442 569346452 /nfs/dbraw/zinc/34/64/52/569346452.db2.gz NECRYJMMKFJNIR-NRFANRHFSA-N 1 0 424.545 3.173 40 0 HGABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000019694750 569346652 /nfs/dbraw/zinc/34/66/52/569346652.db2.gz AXTSFFDXFWFSEV-IBGZPJMESA-N 1 0 419.504 3.437 40 0 HGABRO CCn1cc(C[N@@H+]2CC[C@H](c3nc(N(C)C)ncc3-c3cccc(OC)c3)C2)cn1 ZINC000019694995 569346687 /nfs/dbraw/zinc/34/66/87/569346687.db2.gz ZWIWUZRRMGVFGO-IBGZPJMESA-N 1 0 406.534 3.424 40 0 HGABRO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000009332820 569392441 /nfs/dbraw/zinc/39/24/41/569392441.db2.gz VLLJMMUWEYSLRX-ZQAYVECASA-N 1 0 421.884 3.080 40 0 HGABRO CC(C)c1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(N[C@H](C)CO)[nH+]1 ZINC000328964303 571306350 /nfs/dbraw/zinc/30/63/50/571306350.db2.gz BUQAZHHCGDLIBI-CYBMUJFWSA-N 1 0 410.440 3.854 40 0 HGABRO CCc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329008531 571309747 /nfs/dbraw/zinc/30/97/47/571309747.db2.gz LSNWJHZEKGHLKS-UHFFFAOYSA-N 1 0 402.498 4.000 40 0 HGABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccccc4OC)CCN3C(C)(C)C2)cc1 ZINC000253404655 291240203 /nfs/dbraw/zinc/24/02/03/291240203.db2.gz RHJKZMMUXJNWGV-HXUWFJFHSA-N 1 0 423.557 3.125 40 0 biogenic,in-vitro HGABRO CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044872778 525220163 /nfs/dbraw/zinc/22/01/63/525220163.db2.gz GXESVJGWGUSLAI-UHFFFAOYSA-N 1 0 421.950 3.237 40 0 HGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccccc2I)C1 ZINC000010542907 558258973 /nfs/dbraw/zinc/25/89/73/558258973.db2.gz MQOZGZAUGIFGSV-OKILXGFUSA-N 1 0 400.304 3.389 40 0 HGABRO Cc1nn(C)cc1C[NH+]1CCC(c2nc(C)c3c(n2)N(C2CCCC2)C(=O)CC3)CC1 ZINC000019739475 558260554 /nfs/dbraw/zinc/26/05/54/558260554.db2.gz PHJBSSHBXUKXEL-UHFFFAOYSA-N 1 0 422.577 3.428 40 0 HGABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](c2nc(C)c3c(n2)N(C)C(=O)CC3)C1 ZINC000019741500 558261982 /nfs/dbraw/zinc/26/19/82/558261982.db2.gz XQRPEWRPAIVHGZ-GOSISDBHSA-N 1 0 410.566 3.468 40 0 HGABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@H+](Cc3ncccc3C)C1)O2 ZINC000012135359 558333833 /nfs/dbraw/zinc/33/38/33/558333833.db2.gz MPNYCVGVKOFFCV-DVECYGJZSA-N 1 0 409.530 3.420 40 0 HGABRO CCC(=O)N1CCc2cc([C@H](O)C[NH+]3CCC(O)(c4ccccc4C)CC3)ccc21 ZINC000012181130 558342742 /nfs/dbraw/zinc/34/27/42/558342742.db2.gz LCJGAECNSALFPE-HSZRJFAPSA-N 1 0 408.542 3.311 40 0 HGABRO COc1ccc(C[NH2+]Cc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1OC ZINC000012186421 558345519 /nfs/dbraw/zinc/34/55/19/558345519.db2.gz LJTOAYPNUTVANK-UHFFFAOYSA-N 1 0 404.470 3.329 40 0 HGABRO CC(C)NC(=O)Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c2ccccc21 ZINC000012241450 558360298 /nfs/dbraw/zinc/36/02/98/558360298.db2.gz FJFFUEJYOPOVOI-LJQANCHMSA-N 1 0 410.562 3.000 40 0 HGABRO COC(=O)Cn1cc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 ZINC000012292772 558365712 /nfs/dbraw/zinc/36/57/12/558365712.db2.gz COMGQHQPWZVNEE-UHFFFAOYSA-N 1 0 408.498 3.307 40 0 HGABRO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCC[NH+](C)C)c2)cc1 ZINC000030858129 558741209 /nfs/dbraw/zinc/74/12/09/558741209.db2.gz NGBADNJEWPUZSW-UHFFFAOYSA-N 1 0 409.939 3.131 40 0 HGABRO COc1ccc2cc(-c3ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)cc3)n(C)c(=O)c2c1 ZINC000034167971 558773242 /nfs/dbraw/zinc/77/32/42/558773242.db2.gz MZELTXWHFDTAOO-SFHVURJKSA-N 1 0 410.514 3.342 40 0 in-man HGABRO CCC(=O)N1CCc2cc([C@@H](O)C[N@@H+]3CCC[C@](O)(c4ccccc4OC)C3)ccc21 ZINC000036740059 558801467 /nfs/dbraw/zinc/80/14/67/558801467.db2.gz BYBQVVZADSKVRJ-WIOPSUGQSA-N 1 0 424.541 3.011 40 0 HGABRO COCCOc1cc(C[N@@H+]2C[C@@H]3CC[C@](O)(c4ncccc4C)[C@H]3C2)ccc1OC ZINC000072389834 558808974 /nfs/dbraw/zinc/80/89/74/558808974.db2.gz DZLJSQKFHYZXBA-MZLICYQSSA-N 1 0 412.530 3.153 40 0 HGABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000038831203 558816709 /nfs/dbraw/zinc/81/67/09/558816709.db2.gz DVHWBNLUGGFTOI-UHFFFAOYSA-N 1 0 421.585 3.356 40 0 HGABRO Cc1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCC[N@H+](Cc3ccccn3)C2)on1 ZINC000019122230 558843530 /nfs/dbraw/zinc/84/35/30/558843530.db2.gz YZQSCSJPLDNZMX-SFHVURJKSA-N 1 0 420.517 3.051 40 0 HGABRO Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCC[N@@H+](Cc3cn(C)nc3C)C2)on1 ZINC000019122256 558843719 /nfs/dbraw/zinc/84/37/19/558843719.db2.gz HOPWLTUAXMUYAA-SFHVURJKSA-N 1 0 421.549 3.462 40 0 HGABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)c4[nH]ncc4Br)CC3)CC2)cc1 ZINC000019208389 558847543 /nfs/dbraw/zinc/84/75/43/558847543.db2.gz ZAQNPAKRHZBOFU-UHFFFAOYSA-N 1 0 417.351 3.407 40 0 HGABRO COc1ccc(CC[NH2+]Cc2cc(-c3cccc(C)c3)cn3nnnc23)cc1OC ZINC000019235290 558854355 /nfs/dbraw/zinc/85/43/55/558854355.db2.gz LRKMTEVVSWNHIK-UHFFFAOYSA-N 1 0 403.486 3.449 40 0 HGABRO Cc1nc2cc(C)ccn2c1C[N@@H+]1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019238150 558857122 /nfs/dbraw/zinc/85/71/22/558857122.db2.gz RABXMAAHROWOHC-YADARESESA-N 1 0 403.530 3.375 40 0 HGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)C3CCC3)[nH]c(=O)c2C1 ZINC000019238663 558857480 /nfs/dbraw/zinc/85/74/80/558857480.db2.gz MZERMQURYIAMIX-GOSISDBHSA-N 1 0 412.559 3.162 40 0 HGABRO Cc1ncc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019287206 558860832 /nfs/dbraw/zinc/86/08/32/558860832.db2.gz SSIKNOMZEAAOPT-DENIHFKCSA-N 1 0 411.525 3.095 40 0 HGABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc(Oc3ncccn3)cc1)C2 ZINC000019291390 558863885 /nfs/dbraw/zinc/86/38/85/558863885.db2.gz BIBAFRWLWXEYPB-LIMIJEPZSA-N 1 0 405.502 3.122 40 0 HGABRO O=C(NC[C@@H]1CCCO1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372542 558879955 /nfs/dbraw/zinc/87/99/55/558879955.db2.gz PLUMZEBNFWECHX-BHDDXSALSA-N 1 0 410.489 3.052 40 0 HGABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccnc(N2CCCCC2)n1 ZINC000019449996 558888481 /nfs/dbraw/zinc/88/84/81/558888481.db2.gz JEAXFMWDJGHIGR-NHCUHLMSSA-N 1 0 407.562 3.207 40 0 HGABRO C[C@H]1CC(=O)N(c2cccc(C(=O)N3CCCC[C@H]3C[NH+]3CCCCCC3)c2)C1=O ZINC000019462366 558893879 /nfs/dbraw/zinc/89/38/79/558893879.db2.gz JAHWVVIIDSJTOM-RXVVDRJESA-N 1 0 411.546 3.457 40 0 HGABRO COc1ccc(C[NH+]2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019497329 558896192 /nfs/dbraw/zinc/89/61/92/558896192.db2.gz XNPVNHNHCLHSGT-IRXDYDNUSA-N 1 0 412.534 3.047 40 0 HGABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(Cl)cc1 ZINC000019500311 558898524 /nfs/dbraw/zinc/89/85/24/558898524.db2.gz OKUPMROKRLFUII-GOSISDBHSA-N 1 0 421.010 3.457 40 0 HGABRO COc1ccc(C[NH+]2CCC([C@H](NC(=O)C(F)F)c3ccccn3)CC2)cc1OC ZINC000019560853 558921665 /nfs/dbraw/zinc/92/16/65/558921665.db2.gz XOHMTOZPPJPEEA-FQEVSTJZSA-N 1 0 419.472 3.433 40 0 HGABRO CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](CC2=CCCOC2)C1 ZINC000019580274 558935884 /nfs/dbraw/zinc/93/58/84/558935884.db2.gz CGQWOMVSPJXHCR-VWLOTQADSA-N 1 0 405.542 3.418 40 0 HGABRO CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](CC2=CCCOC2)C1 ZINC000019580270 558935892 /nfs/dbraw/zinc/93/58/92/558935892.db2.gz CGQWOMVSPJXHCR-RUZDIDTESA-N 1 0 405.542 3.418 40 0 HGABRO O[C@H](C[N@H+]1CC=C(c2nc3c(c(N4CCOCC4)n2)CCCC3)CC1)c1ccccc1 ZINC000072339504 558938725 /nfs/dbraw/zinc/93/87/25/558938725.db2.gz WJAVWVKEQMNFDM-HSZRJFAPSA-N 1 0 420.557 3.015 40 0 HGABRO COC(=O)[C@]1(Cc2ccc(OC)cc2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072340205 558939115 /nfs/dbraw/zinc/93/91/15/558939115.db2.gz XAAJGQSXNFAOIO-WPWBMXPQSA-N 1 0 423.509 3.412 40 0 HGABRO C[NH+](C)CCNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000072341933 558940080 /nfs/dbraw/zinc/94/00/80/558940080.db2.gz AARSWIXOXXBBSZ-UHFFFAOYSA-N 1 0 406.509 3.210 40 0 HGABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000072345900 558942489 /nfs/dbraw/zinc/94/24/89/558942489.db2.gz CQLGSAYMSPGHGD-SFHVURJKSA-N 1 0 405.477 3.343 40 0 HGABRO COc1ccccc1C[NH+]1CCC(C(=O)Nc2nc(-c3cnn(C)c3)cs2)CC1 ZINC000019661218 558952345 /nfs/dbraw/zinc/95/23/45/558952345.db2.gz SKTLMFWAMMWMGY-UHFFFAOYSA-N 1 0 411.531 3.403 40 0 HGABRO C[C@H](Nc1ncc(C(=O)N2CCCC2)c(CC[NH2+]C2CCOCC2)n1)c1ccccc1 ZINC000019697261 558964883 /nfs/dbraw/zinc/96/48/83/558964883.db2.gz XVFNOMDTVPAMFV-SFHVURJKSA-N 1 0 423.561 3.197 40 0 HGABRO CCc1nnc(Nc2cccc(C3CC[NH+](CC(=O)N4CCCC4)CC3)n2)s1 ZINC000072376133 558965282 /nfs/dbraw/zinc/96/52/82/558965282.db2.gz KAELLHRFQKWPML-UHFFFAOYSA-N 1 0 400.552 3.041 40 0 HGABRO Cc1nc(C2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCCC3)CC2)nc2c1CCCN2C ZINC000019706684 558968978 /nfs/dbraw/zinc/96/89/78/558968978.db2.gz VLKZHFSOKSILDI-NRFANRHFSA-N 1 0 411.594 3.280 40 0 HGABRO CNc1nc([C@H]2CCC[N@H+](CCCc3ccccc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019707183 558969467 /nfs/dbraw/zinc/96/94/67/558969467.db2.gz ZBXKMAJMQRGHNX-FQEVSTJZSA-N 1 0 407.562 3.235 40 0 HGABRO CCOc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccccc4F)C[C@H]32)c(OCC)n1 ZINC000072392641 558972379 /nfs/dbraw/zinc/97/23/79/558972379.db2.gz UKMMTCYXDJMTON-QXATTWAWSA-N 1 0 401.482 3.143 40 0 HGABRO CN(CCc1ccccn1)c1nc(C2CC[NH+](Cc3cccnc3)CC2)cc(=O)[nH]1 ZINC000019717547 558980383 /nfs/dbraw/zinc/98/03/83/558980383.db2.gz IOXFDCGXKQFPNM-UHFFFAOYSA-N 1 0 404.518 3.031 40 0 HGABRO COCC[N@@H+]1CCC[C@]12CCCN(C(=O)CCc1ccc(OC)cc1OC)CC2 ZINC000585100621 559024162 /nfs/dbraw/zinc/02/41/62/559024162.db2.gz QHDQMAKRKQTQSH-QHCPKHFHSA-N 1 0 404.551 3.130 40 0 HGABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@H+]3CCC[C@H](C)C3)C2)CC1 ZINC000585103135 559026384 /nfs/dbraw/zinc/02/63/84/559026384.db2.gz DNEQXRQMXJZJHX-ICSRJNTNSA-N 1 0 406.592 3.287 40 0 HGABRO COCC[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)COc1ccc(C)cc1)CC2)C(C)C ZINC000585104573 559027189 /nfs/dbraw/zinc/02/71/89/559027189.db2.gz QLTNZZADTSCXBC-QFIPXVFZSA-N 1 0 418.578 3.128 40 0 HGABRO Cc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)[C@@H]3C[N@@H+](CCC(C)C)C[C@@H]34)CC2)cc1 ZINC000585106006 559028252 /nfs/dbraw/zinc/02/82/52/559028252.db2.gz CQLVAANFDLOZMJ-YADHBBJMSA-N 1 0 423.601 3.112 40 0 HGABRO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C(=O)NCC(F)(F)F)C[C@H]2OCC[C@H]21 ZINC000585108705 559030198 /nfs/dbraw/zinc/03/01/98/559030198.db2.gz DKLSFWFNOLLALX-LZLYRXPVSA-N 1 0 400.441 3.132 40 0 HGABRO CCCN1CCN(C(=O)CC[NH3+])C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183570 559070480 /nfs/dbraw/zinc/07/04/80/559070480.db2.gz BSDUFNBXPYCDSL-QFIPXVFZSA-N 1 0 407.558 3.250 40 0 HGABRO COc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)CC1 ZINC000095532943 559087203 /nfs/dbraw/zinc/08/72/03/559087203.db2.gz LBAQYJOJTNEFOU-FSNSLZAISA-N 1 0 402.579 3.410 40 0 HGABRO CCN1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096037019 559090792 /nfs/dbraw/zinc/09/07/92/559090792.db2.gz WZXOBMCSDHBDCO-UHFFFAOYSA-N 1 0 408.525 3.250 40 0 HGABRO CCN1CC2(CC[NH+](Cc3ccsc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037142 559090957 /nfs/dbraw/zinc/09/09/57/559090957.db2.gz ZYYJIURVDSCLTM-UHFFFAOYSA-N 1 0 406.573 3.434 40 0 HGABRO CC(C)n1cnc2c1[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)N(Cc1ccccc1)CC2 ZINC000096037547 559091354 /nfs/dbraw/zinc/09/13/54/559091354.db2.gz XJTZJYYFGGDVBM-QHCPKHFHSA-N 1 0 409.578 3.116 40 0 HGABRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)n1 ZINC000096216184 559101809 /nfs/dbraw/zinc/10/18/09/559101809.db2.gz MQBLCJHMPYUPMS-OAQYLSRUSA-N 1 0 403.523 3.206 40 0 HGABRO Cc1ccc(N2CCN(CC(C)C)C3(CC[NH+](Cc4ccccn4)CC3)C2=O)cn1 ZINC000096230373 559102998 /nfs/dbraw/zinc/10/29/98/559102998.db2.gz YAZWNIQTEVZEKR-UHFFFAOYSA-N 1 0 407.562 3.124 40 0 HGABRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21 ZINC000096242211 559103856 /nfs/dbraw/zinc/10/38/56/559103856.db2.gz UNTNMVDYWZVLHU-GOSISDBHSA-N 1 0 409.530 3.009 40 0 HGABRO CCN1CC[C@@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2ccc(F)cc2)CC3)C1=O ZINC000096262769 559106722 /nfs/dbraw/zinc/10/67/22/559106722.db2.gz HKNATMNYZVSHRG-XMMPIXPASA-N 1 0 415.553 3.258 40 0 HGABRO O[C@@]1(C[N@@H+]2CCOC[C@](O)(COc3ccccc3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585288058 559123197 /nfs/dbraw/zinc/12/31/97/559123197.db2.gz VGERBERSWOBOID-CAOCKLPOSA-N 1 0 411.542 3.218 40 0 HGABRO CNc1nc([C@@H]2CCCN2C(=O)C2(c3cccc(F)c3)CCCC2)nc2c1C[NH2+]CC2 ZINC000072372366 559181626 /nfs/dbraw/zinc/18/16/26/559181626.db2.gz QPBCFJVEHXUSGI-FQEVSTJZSA-N 1 0 423.536 3.479 40 0 HGABRO COc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3ccccc3)cc2c1 ZINC000000880677 560539690 /nfs/dbraw/zinc/53/96/90/560539690.db2.gz HTVYVCIGXBXPOF-UHFFFAOYSA-N 1 0 410.543 3.297 40 0 HGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000004062994 560598274 /nfs/dbraw/zinc/59/82/74/560598274.db2.gz GQWCDWWREXSFDW-DBPOXSKKSA-N 1 0 416.606 3.222 40 0 HGABRO Cc1ccc2cc(CN(Cc3cccnc3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000004127134 560599050 /nfs/dbraw/zinc/59/90/50/560599050.db2.gz NIMRKJSEOWIUIY-UHFFFAOYSA-N 1 0 423.586 3.060 40 0 HGABRO C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccncc2)n1CCC[NH+](C)C ZINC000004130376 560599621 /nfs/dbraw/zinc/59/96/21/560599621.db2.gz RBTROSDHSMXYNG-FUHWJXTLSA-N 1 0 416.595 3.079 40 0 HGABRO CCCNC(=S)N(CC[NH+]1CCCC1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000004162129 560602151 /nfs/dbraw/zinc/60/21/51/560602151.db2.gz CANLPHYTQWTSRJ-UHFFFAOYSA-N 1 0 416.591 3.109 40 0 HGABRO CCOCC[NH+]1CCN(c2c3c(nc4cc(-c5cccc(C)c5)nn42)CCC3)CC1 ZINC000004966858 560621815 /nfs/dbraw/zinc/62/18/15/560621815.db2.gz QMBDMXQXBLKOIU-UHFFFAOYSA-N 1 0 405.546 3.352 40 0 HGABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)c1 ZINC000409060729 560671188 /nfs/dbraw/zinc/67/11/88/560671188.db2.gz UNYMVJHZNZAQAA-AYHYUOJHSA-O 1 0 414.485 3.020 40 0 HGABRO Cc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409055247 560671569 /nfs/dbraw/zinc/67/15/69/560671569.db2.gz KPGPSFBRTPMUJR-NXTBZVMJSA-O 1 0 402.449 3.150 40 0 HGABRO CN(c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000010278270 560766485 /nfs/dbraw/zinc/76/64/85/560766485.db2.gz WALMRUXSFZLMOO-UHFFFAOYSA-N 1 0 415.559 3.118 40 0 HGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(I)cc2)C1 ZINC000010542903 560770237 /nfs/dbraw/zinc/77/02/37/560770237.db2.gz OUVBVXAIUWEIHD-ZIAGYGMSSA-N 1 0 400.304 3.389 40 0 HGABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000012709716 560786296 /nfs/dbraw/zinc/78/62/96/560786296.db2.gz GQLQRZXRLGDXQY-UHFFFAOYSA-N 1 0 400.592 3.407 40 0 HGABRO CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000019499688 560873427 /nfs/dbraw/zinc/87/34/27/560873427.db2.gz YRTKSNLGIYOOAR-NRFANRHFSA-N 1 0 412.582 3.476 40 0 HGABRO C[C@@H](O)C[NH2+]CCNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000022075540 568473981 /nfs/dbraw/zinc/47/39/81/568473981.db2.gz UADPVLAYQKZEAF-CQSZACIVSA-N 1 0 411.315 3.227 40 0 HGABRO CCCCCC[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382121 568489424 /nfs/dbraw/zinc/48/94/24/568489424.db2.gz FVTWZUBKQZTLDL-UGESXGAOSA-N 1 0 401.526 3.353 40 0 biogenic,in-vitro HGABRO CC[NH+](CC)CCNC(=O)Cn1ccc2ccnc(-c3ccc(OC)c(OC)c3)c21 ZINC000057774240 568497326 /nfs/dbraw/zinc/49/73/26/568497326.db2.gz SVOFULVDOJVRRG-UHFFFAOYSA-N 1 0 410.518 3.179 40 0 HGABRO COc1ccc(-c2noc(CNC(=O)[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222599971 568519992 /nfs/dbraw/zinc/51/99/92/568519992.db2.gz SQFSTPULXBZMAZ-GOSISDBHSA-N 1 0 424.476 3.413 40 0 HGABRO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)n1-c1cccnc1 ZINC000223219170 568541391 /nfs/dbraw/zinc/54/13/91/568541391.db2.gz JMSZAGRNERAHIX-FGZHOGPDSA-N 1 0 420.586 3.500 40 0 HGABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 ZINC000223254081 568542727 /nfs/dbraw/zinc/54/27/27/568542727.db2.gz VCMLZQUYVZIYFS-HUUCEWRRSA-N 1 0 411.394 3.440 40 0 HGABRO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1C[C@@H]1CCCO1 ZINC000223299306 568544521 /nfs/dbraw/zinc/54/45/21/568544521.db2.gz VAWSLDHIIGMQII-DZFGPLHGSA-N 1 0 405.527 3.419 40 0 HGABRO COc1ccc(CC[NH2+]Cc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1OC ZINC000026440775 568547159 /nfs/dbraw/zinc/54/71/59/568547159.db2.gz DNSLIJHRXLFQHG-UHFFFAOYSA-N 1 0 418.497 3.372 40 0 HGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000223521745 568550896 /nfs/dbraw/zinc/55/08/96/568550896.db2.gz ZBXLDAAZLFNNNX-MRXNPFEDSA-N 1 0 413.609 3.300 40 0 HGABRO Cc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1N1CCCCS1(=O)=O ZINC000224400370 568580346 /nfs/dbraw/zinc/58/03/46/568580346.db2.gz BUUPZTQAUZDDOH-HDICACEKSA-N 1 0 421.607 3.023 40 0 HGABRO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225902078 568684746 /nfs/dbraw/zinc/68/47/46/568684746.db2.gz JOYKHAQFMSMNLT-IBGZPJMESA-N 1 0 415.559 3.096 40 0 HGABRO CN(C)c1ncc2c(n1)[C@@]1(CC[N@H+](Cc3cccc(-c4ccc(F)cc4)n3)C1)COC2 ZINC000248088111 568747475 /nfs/dbraw/zinc/74/74/75/568747475.db2.gz DWDGASWCAMRNEP-XMMPIXPASA-N 1 0 419.504 3.418 40 0 HGABRO COCCN1C(=O)Cc2c1nc([C@]1(C)CCC[N@H+](Cc3sccc3C)C1)nc2C ZINC000257211789 568779523 /nfs/dbraw/zinc/77/95/23/568779523.db2.gz CAKPGWUQPMZCMX-JOCHJYFZSA-N 1 0 414.575 3.244 40 0 HGABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000257214547 568780328 /nfs/dbraw/zinc/78/03/28/568780328.db2.gz CMJZQTOQNXSDDO-QHCPKHFHSA-N 1 0 410.493 3.191 40 0 HGABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccnc(N4CCCC4)n3)C[C@H]2c2ccccc2)N1 ZINC000257221439 568782529 /nfs/dbraw/zinc/78/25/29/568782529.db2.gz DPABUYQQPVPHCJ-XUZZJYLKSA-N 1 0 405.546 3.105 40 0 HGABRO Cc1c(NC(=O)CN2CCCCC[C@@H]3[NH2+][C@H](Cc4ccccc4)C[C@@]32C)cnn1C ZINC000257253897 568791314 /nfs/dbraw/zinc/79/13/14/568791314.db2.gz KASVZPFDCUFXOW-SFLYRZDNSA-N 1 0 409.578 3.275 40 0 HGABRO Cc1cc(OC[C@@H](O)C[NH2+]C[C@H](O)COc2ccc(Cl)c(C)c2)ccc1Cl ZINC000002685832 568800960 /nfs/dbraw/zinc/80/09/60/568800960.db2.gz BTNURVOOMFXKRL-HOTGVXAUSA-N 1 0 414.329 3.379 40 0 HGABRO CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CCO2)n1 ZINC000257298774 568803980 /nfs/dbraw/zinc/80/39/80/568803980.db2.gz RNGIPCPMYWGLIF-NRFANRHFSA-N 1 0 412.534 3.239 40 0 HGABRO CSCC[C@@H]([NH3+])C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257300751 568804656 /nfs/dbraw/zinc/80/46/56/568804656.db2.gz RVOQANXPSPPFAD-FXTJJVCJSA-N 1 0 404.576 3.233 40 0 HGABRO CS(=O)(=O)N1CCC([N@@H+]2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257303254 568805462 /nfs/dbraw/zinc/80/54/62/568805462.db2.gz SGJZJLPYZCZOOF-KRWDZBQOSA-N 1 0 421.538 3.008 40 0 HGABRO CNc1ncc(CN2CC3(C2)CO[C@@H]2c4cccc(OC)c4OC(C)(C)[C@H]2C3)cn1 ZINC000257312251 568807884 /nfs/dbraw/zinc/80/78/84/568807884.db2.gz UNAOEAIHRWYKRE-PKOBYXMFSA-N 1 0 410.518 3.278 40 0 HGABRO CCCn1cnc2sc(C(=O)N3CCC[C@]4(C)[NH2+]CCCC[C@H]34)c(C)c2c1=O ZINC000257327169 568812448 /nfs/dbraw/zinc/81/24/48/568812448.db2.gz XAHADLOMAPWRMS-BTYIYWSLSA-N 1 0 402.564 3.313 40 0 HGABRO COCCN1CC=CCC2(CC[NH+](Cc3cc4ccccc4nc3N(C)C)CC2)C1=O ZINC000257344317 568817437 /nfs/dbraw/zinc/81/74/37/568817437.db2.gz ZWPWRPXHGRIZBI-UHFFFAOYSA-N 1 0 422.573 3.318 40 0 HGABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217572 568836396 /nfs/dbraw/zinc/83/63/96/568836396.db2.gz OTWBSRSMBMOJHH-FHWLQOOXSA-N 1 0 424.360 3.370 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218639163 568885766 /nfs/dbraw/zinc/88/57/66/568885766.db2.gz DJLLEEVARYHFGM-DYXWJJEUSA-N 1 0 421.946 3.350 40 0 HGABRO CCc1nc(C)c(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(NCc4ccccc4)nc23)[nH]1 ZINC000306123699 568886785 /nfs/dbraw/zinc/88/67/85/568886785.db2.gz AUBDOVJQCOONKV-XMMPIXPASA-N 1 0 418.545 3.357 40 0 HGABRO CCc1nc(C)c(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCc4ccccc4)nc23)[nH]1 ZINC000306123698 568886822 /nfs/dbraw/zinc/88/68/22/568886822.db2.gz AUBDOVJQCOONKV-DEOSSOPVSA-N 1 0 418.545 3.357 40 0 HGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccco3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306125590 568888424 /nfs/dbraw/zinc/88/84/24/568888424.db2.gz CVBLCHSCFSZWEY-ZJSXRUAMSA-N 1 0 419.529 3.470 40 0 HGABRO c1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc2c1OCO2 ZINC000306127947 568890684 /nfs/dbraw/zinc/89/06/84/568890684.db2.gz GLKKWTBSKHUKNH-SFHVURJKSA-N 1 0 405.502 3.438 40 0 HGABRO COCCN1CC[C@@]2(C[N@H+](Cc3ccc(C)s3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128041 568890790 /nfs/dbraw/zinc/89/07/90/568890790.db2.gz GOMYVPNLMNMZHY-UGKGYDQZSA-N 1 0 416.591 3.298 40 0 HGABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306132052 568894489 /nfs/dbraw/zinc/89/44/89/568894489.db2.gz KWOZQSAPOSINPM-RBUKOAKNSA-N 1 0 421.932 3.166 40 0 HGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccco3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306133217 568895371 /nfs/dbraw/zinc/89/53/71/568895371.db2.gz MFKDTSHKJNOXDP-XUZZJYLKSA-N 1 0 419.529 3.470 40 0 HGABRO Cn1nccc1[C@@H]1C[N@H+](Cc2cccnc2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306134276 568896418 /nfs/dbraw/zinc/89/64/18/568896418.db2.gz NHMYLKUSECKNAI-WIOPSUGQSA-N 1 0 415.541 3.224 40 0 HGABRO COCCN1CC[C@@]2(C[N@H+](Cc3cccc(C)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306134937 568897054 /nfs/dbraw/zinc/89/70/54/568897054.db2.gz OBXYVHMFRUGUEZ-URXFXBBRSA-N 1 0 410.562 3.237 40 0 HGABRO Cn1cc(C[NH2+]C[C@H]2CC[C@@H]3CN(C(=O)c4ccccc4)c4ccccc4CN23)cn1 ZINC000306135229 568897313 /nfs/dbraw/zinc/89/73/13/568897313.db2.gz OLJKWZVTIQXYAM-DHIUTWEWSA-N 1 0 415.541 3.203 40 0 HGABRO COc1cccc(C[N@@H+]2CCN(C)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)c1 ZINC000306137561 568899342 /nfs/dbraw/zinc/89/93/42/568899342.db2.gz QZXGLYSXACKIHK-JOCHJYFZSA-N 1 0 405.546 3.432 40 0 HGABRO CCc1ccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306144297 568905579 /nfs/dbraw/zinc/90/55/79/568905579.db2.gz ZBTPUXQYSXDDDA-UXHICEINSA-N 1 0 401.514 3.397 40 0 HGABRO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101343779 568916963 /nfs/dbraw/zinc/91/69/63/568916963.db2.gz VLLJMMUWEYSLRX-FZONSQQESA-N 1 0 421.884 3.080 40 0 HGABRO Cc1c(Nc2cc(-c3ccccn3)nc(NCC[NH+](C)C)n2)cccc1C(F)(F)F ZINC000328989054 568971520 /nfs/dbraw/zinc/97/15/20/568971520.db2.gz IIJRCNLBHVCTHE-UHFFFAOYSA-N 1 0 416.451 3.427 40 0 HGABRO COc1ccc(Cl)cc1Nc1cc(-c2ccncc2)nc(NCCC[NH+](C)C)n1 ZINC000329039649 568974142 /nfs/dbraw/zinc/97/41/42/568974142.db2.gz RYFZVMWEBJZRJO-UHFFFAOYSA-N 1 0 412.925 3.152 40 0 HGABRO Cc1c(Nc2cc(-c3cccnc3)nc(NCC[NH+](C)C)n2)cccc1C(F)(F)F ZINC000329072550 568976032 /nfs/dbraw/zinc/97/60/32/568976032.db2.gz ZZMPNBWYCAITRB-UHFFFAOYSA-N 1 0 416.451 3.427 40 0 HGABRO CCOC(=O)C1(c2ccccc2)CC[NH+](C[C@H](O)c2ccc(NC(C)=O)cc2)CC1 ZINC000004429976 569255380 /nfs/dbraw/zinc/25/53/80/569255380.db2.gz BGWZZQHBKDDJJE-QFIPXVFZSA-N 1 0 410.514 3.275 40 0 HGABRO CCOC(=O)C1(c2ccccc2)CC[NH+](C[C@@H](O)c2ccc(NC(C)=O)cc2)CC1 ZINC000004429977 569255420 /nfs/dbraw/zinc/25/54/20/569255420.db2.gz BGWZZQHBKDDJJE-JOCHJYFZSA-N 1 0 410.514 3.275 40 0 HGABRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2N)CC1 ZINC000226263401 569278899 /nfs/dbraw/zinc/27/88/99/569278899.db2.gz ATAUCOKUPOKPIK-UHFFFAOYSA-N 1 0 403.324 3.426 40 0 HGABRO CCC[C@]1(C(=O)OCC)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245230595 569313867 /nfs/dbraw/zinc/31/38/67/569313867.db2.gz VBMTZEQWPXOMBR-FOUBCARRSA-N 1 0 412.511 3.300 40 0 HGABRO C[N@@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC000248113163 569316265 /nfs/dbraw/zinc/31/62/65/569316265.db2.gz IBLPGNRRSLZDQO-RXVVDRJESA-N 1 0 410.493 3.032 40 0 HGABRO C[N@@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(C(=O)c2ccncc2)CC1 ZINC000248145500 569316566 /nfs/dbraw/zinc/31/65/66/569316566.db2.gz RRGQNNGSPXJTOA-NQIIRXRSSA-N 1 0 410.493 3.032 40 0 HGABRO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000248341471 569316764 /nfs/dbraw/zinc/31/67/64/569316764.db2.gz ZFGKKZFWXMIMPI-MONBJTKQSA-N 1 0 418.509 3.391 40 0 HGABRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cn1 ZINC000019290669 569345457 /nfs/dbraw/zinc/34/54/57/569345457.db2.gz PKBWIODTSVJKRX-ZJSXRUAMSA-N 1 0 403.530 3.127 40 0 HGABRO Cc1cc(C)cc(C2(C(=O)N3C[C@H](C(N)=O)[C@@H](c4ccc(C[NH3+])cc4)C3)CCCC2)c1 ZINC000019698694 569346885 /nfs/dbraw/zinc/34/68/85/569346885.db2.gz LUOIYZTXBGZBRY-PKTZIBPZSA-N 1 0 419.569 3.301 40 0 HGABRO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC000019702526 569347410 /nfs/dbraw/zinc/34/74/10/569347410.db2.gz MQLJHUFSQSZEJQ-CQSZACIVSA-N 1 0 416.572 3.427 40 0 HGABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 ZINC000019760824 569348926 /nfs/dbraw/zinc/34/89/26/569348926.db2.gz BYBOFPGKKYAUDY-FQEVSTJZSA-N 1 0 406.534 3.040 40 0 HGABRO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4COC(=O)NC(C)C)n(C)n2)cc1 ZINC000008635298 571097194 /nfs/dbraw/zinc/09/71/94/571097194.db2.gz DRIUXMMNTGRODY-NSHGMRRFSA-N 1 0 412.534 3.408 40 0 biogenic,in-vitro HGABRO CC(C)([NH3+])C(=O)N1CCC(c2cncc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585262988 571305175 /nfs/dbraw/zinc/30/51/75/571305175.db2.gz GYRLGYUAPSHRGX-UHFFFAOYSA-N 1 0 422.558 3.787 40 0 HGABRO C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CC[NH2+]1 ZINC000034850365 571313720 /nfs/dbraw/zinc/31/37/20/571313720.db2.gz RZKDEGZIFSJVNA-IBGZPJMESA-N 1 0 424.564 3.265 40 0 investigational HGABRO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4C4CCCCC4)n3)ccn2)CC1 ZINC000049154939 291232059 /nfs/dbraw/zinc/23/20/59/291232059.db2.gz BUUNZKOVNQIBJA-FQEVSTJZSA-N 1 0 424.549 3.270 40 0 biogenic,in-vitro HGABRO C[NH+](C)CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccc4ccccc4c3)c12 ZINC000005415077 291235109 /nfs/dbraw/zinc/23/51/09/291235109.db2.gz OKTVXZSZAOVVET-LAUBAEHRSA-N 1 0 401.510 3.176 40 0 biogenic,in-vitro HGABRO COc1ccccc1N1CCN(CC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000004093418 132271028 /nfs/dbraw/zinc/27/10/28/132271028.db2.gz YKNOGUMFLSMCFE-UHFFFAOYSA-N 1 0 422.573 3.442 40 0 HGABRO COC(=O)c1ccc(CS(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044875155 522049062 /nfs/dbraw/zinc/04/90/62/522049062.db2.gz DWWYBZKHJGKPDL-UHFFFAOYSA-N 1 0 416.543 3.079 40 0 HGABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857106 525267639 /nfs/dbraw/zinc/26/76/39/525267639.db2.gz BXLUAGFQRDOCEO-VQIMIIECSA-N 1 0 418.534 3.319 40 0 HGABRO Cc1ccc(N(C[C@H](O)C[NH+]2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000000787213 557080732 /nfs/dbraw/zinc/08/07/32/557080732.db2.gz VMXFBFCOTLUTJQ-OAQYLSRUSA-N 1 0 402.560 3.283 40 0 HGABRO NC(=[NH2+])NCCC[C@@H]([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000004794480 557598343 /nfs/dbraw/zinc/59/83/43/557598343.db2.gz XOPFDFWTKCSBGX-JOCHJYFZSA-N 1 0 416.525 3.285 40 0 HGABRO Cc1ccc(S(=O)(=O)N(CCCc2c(C)[nH+]c(N)nc2N)c2ccccc2)cc1 ZINC000006009370 557684223 /nfs/dbraw/zinc/68/42/23/557684223.db2.gz XYRUYFPPRLOTIN-UHFFFAOYSA-N 1 0 411.531 3.086 40 0 HGABRO C[C@]1(C(=O)Nc2ccccc2OCC[NH+]2CCCCCC2)CC(=O)N2C=CC=CC2=N1 ZINC000035316642 557691438 /nfs/dbraw/zinc/69/14/38/557691438.db2.gz UVDQMMYXCKWWSG-XMMPIXPASA-N 1 0 422.529 3.353 40 0 HGABRO CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000006517671 557706234 /nfs/dbraw/zinc/70/62/34/557706234.db2.gz LXPGXFWRGKOSJW-UHFFFAOYSA-N 1 0 412.559 3.354 40 0 HGABRO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC[NH+]3CCCC3)c2)cc1 ZINC000007071524 557734535 /nfs/dbraw/zinc/73/45/35/557734535.db2.gz KQVNUBNAPQMLCK-UHFFFAOYSA-N 1 0 415.559 3.036 40 0 HGABRO CC1(C)CC(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000408708412 557735834 /nfs/dbraw/zinc/73/58/34/557735834.db2.gz ZKJRIOQMRJEXTD-UHFFFAOYSA-N 1 0 407.558 3.360 40 0 HGABRO Cc1ccc2c(cc(C(=O)N3CCC([C@@H]4CCCC[N@H+]4CC(=O)N(C)C)CC3)n2C)c1 ZINC000019746370 558266510 /nfs/dbraw/zinc/26/65/10/558266510.db2.gz NBUZXVZQBOOZRM-QFIPXVFZSA-N 1 0 424.589 3.282 40 0 HGABRO O=C(CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000019748184 558267488 /nfs/dbraw/zinc/26/74/88/558267488.db2.gz LIRXCXQHFVVVIR-QHCPKHFHSA-N 1 0 423.601 3.434 40 0 HGABRO Cc1ncc(C[N@@H+]2CC[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)s1 ZINC000019761116 558276469 /nfs/dbraw/zinc/27/64/69/558276469.db2.gz IOTUUPVVYCOUEF-QGZVFWFLSA-N 1 0 422.554 3.462 40 0 HGABRO CC(=O)N1c2ccc([C@@H](O)C[NH+]3CCC(O)(c4ccccc4F)CC3)cc2C[C@@H]1C ZINC000012146828 558338096 /nfs/dbraw/zinc/33/80/96/558338096.db2.gz ZGOICTZVXJJBKG-HJPURHCSSA-N 1 0 412.505 3.140 40 0 HGABRO CC(=O)N1c2ccc([C@@H](O)C[NH+]3CCC(O)(c4ccccc4C)CC3)cc2C[C@H]1C ZINC000012146837 558338110 /nfs/dbraw/zinc/33/81/10/558338110.db2.gz KLVMYAZBIBJBJQ-KOSHJBKYSA-N 1 0 408.542 3.310 40 0 HGABRO CCOc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(OC)ccc2O3)cc1 ZINC000012293671 558367018 /nfs/dbraw/zinc/36/70/18/558367018.db2.gz GFTZFYRDDBMVNZ-FCHUYYIVSA-N 1 0 413.514 3.478 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(SC)cc1 ZINC000020636831 558396097 /nfs/dbraw/zinc/39/60/97/558396097.db2.gz XFHNJKGNKCLCNB-WOJBJXKFSA-N 1 0 423.538 3.173 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000020637005 558396515 /nfs/dbraw/zinc/39/65/15/558396515.db2.gz XSFXNOYACYLDOM-RBUKOAKNSA-N 1 0 411.889 3.105 40 0 HGABRO CCOc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1ccccc1 ZINC000022075445 558462381 /nfs/dbraw/zinc/46/23/81/558462381.db2.gz HCOWOMROHMUBQX-UHFFFAOYSA-N 1 0 423.351 3.098 40 0 HGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000013670840 558562140 /nfs/dbraw/zinc/56/21/40/558562140.db2.gz NXAMPIZTOZBHMO-GASCZTMLSA-N 1 0 403.386 3.237 40 0 HGABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc(C(=O)OC)c1 ZINC000039754566 558687564 /nfs/dbraw/zinc/68/75/64/558687564.db2.gz CJIYFNRULWWWDE-UHFFFAOYSA-N 1 0 410.470 3.111 40 0 HGABRO CCOc1ccccc1N1CC[NH+](C[C@H](O)c2ccc3c(c2)CCCN3C(C)=O)CC1 ZINC000036741205 558802069 /nfs/dbraw/zinc/80/20/69/558802069.db2.gz MZZZGUYQWVULCU-DEOSSOPVSA-N 1 0 423.557 3.240 40 0 HGABRO Cc1nc(N2CCOCC2)sc1C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000036752362 558802851 /nfs/dbraw/zinc/80/28/51/558802851.db2.gz VOFVVCARZWNFCJ-LJQANCHMSA-N 1 0 414.575 3.245 40 0 HGABRO CC(=O)Nc1ccc(C[NH+]2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1 ZINC000019022448 558838062 /nfs/dbraw/zinc/83/80/62/558838062.db2.gz BNBMBUPYYJTNJN-UHFFFAOYSA-N 1 0 409.515 3.231 40 0 HGABRO O=c1cc([C@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)nc(N2CCOCC2)[nH]1 ZINC000019293308 558864887 /nfs/dbraw/zinc/86/48/87/558864887.db2.gz VZJWIMBQOFLRRV-INIZCTEOSA-N 1 0 422.451 3.005 40 0 HGABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccccc3-n3cccn3)C[C@H]2c2ccccn2)N1 ZINC000019349457 558875150 /nfs/dbraw/zinc/87/51/50/558875150.db2.gz VFJDERJAFHWVGK-GBXCKJPGSA-N 1 0 401.514 3.296 40 0 HGABRO CCOC(=O)C1C(C[NH+]2C[C@@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055220601 558876487 /nfs/dbraw/zinc/87/64/87/558876487.db2.gz GNKWWMYSQVHRQX-CKFHNAJUSA-N 1 0 405.926 3.489 40 0 HGABRO O=C1CCCN1c1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000019374908 558881460 /nfs/dbraw/zinc/88/14/60/558881460.db2.gz USBVQOHNEULINU-YADHBBJMSA-N 1 0 422.525 3.198 40 0 HGABRO CC(C)c1cc(C(=O)NC2CC[NH+](Cc3cc(-c4ccccc4F)nn3C)CC2)[nH]n1 ZINC000019451951 558889909 /nfs/dbraw/zinc/88/99/09/558889909.db2.gz QQLOUKLRXVKIRK-UHFFFAOYSA-N 1 0 424.524 3.467 40 0 HGABRO Cc1cc(=O)n(-c2cccc(NC(=O)C3CC[NH+](CCc4ccccn4)CC3)c2)[nH]1 ZINC000019461971 558893719 /nfs/dbraw/zinc/89/37/19/558893719.db2.gz BLEGJJSVTBHVES-UHFFFAOYSA-N 1 0 405.502 3.087 40 0 HGABRO COc1ccccc1C[NH+]1CCC(c2n[nH]cc2C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000019497348 558896489 /nfs/dbraw/zinc/89/64/89/558896489.db2.gz DBYOCWTVEMLRTR-IAGOWNOFSA-N 1 0 412.534 3.047 40 0 HGABRO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4ccc(CC)cc4)C3)[nH]c(=O)c2C1 ZINC000019501586 558899639 /nfs/dbraw/zinc/89/96/39/558899639.db2.gz IIYNSSCRFDIYBE-HXUWFJFHSA-N 1 0 422.573 3.397 40 0 HGABRO CCc1ncc(C[N@@H+]2CCC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)cn1 ZINC000019523368 558904678 /nfs/dbraw/zinc/90/46/78/558904678.db2.gz RPHQQOASVSFMKS-RUZDIDTESA-N 1 0 415.541 3.411 40 0 HGABRO CCN1CC[N@H+](CC2=CCCOC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527440 558908571 /nfs/dbraw/zinc/90/85/71/558908571.db2.gz ABEDEFHDBNTABR-XMMPIXPASA-N 1 0 405.542 3.418 40 0 HGABRO CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC(c3cc(N)n4nc(C)cc4n3)CC2)c1C ZINC000019530671 558911478 /nfs/dbraw/zinc/91/14/78/558911478.db2.gz FITFNWGITNKLEK-UHFFFAOYSA-N 1 0 410.522 3.121 40 0 HGABRO CCOc1ccc([C@@H](CNC(=O)c2cc(C(F)(F)F)nn2C)[NH+]2CCCC2)cc1 ZINC000019532703 558912687 /nfs/dbraw/zinc/91/26/87/558912687.db2.gz NJBYAMPCROBVLO-QGZVFWFLSA-N 1 0 410.440 3.405 40 0 HGABRO CCOc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1OC ZINC000019533735 558913301 /nfs/dbraw/zinc/91/33/01/558913301.db2.gz AKRMOPBYDQUOBY-SFHVURJKSA-N 1 0 406.486 3.229 40 0 HGABRO COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc(OC)c1OC ZINC000019549924 558914590 /nfs/dbraw/zinc/91/45/90/558914590.db2.gz CFMFJCONSDPKMC-UZLBHIALSA-N 1 0 406.429 3.100 40 0 HGABRO COc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)no2)cc1 ZINC000019555863 558918497 /nfs/dbraw/zinc/91/84/97/558918497.db2.gz FHKBBSTYQSTPEC-LJQANCHMSA-N 1 0 406.486 3.388 40 0 HGABRO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+](Cc4cccnc4)C3)no2)cc1 ZINC000019555860 558918569 /nfs/dbraw/zinc/91/85/69/558918569.db2.gz RDXIYCLXKYEEDO-IBGZPJMESA-N 1 0 406.486 3.388 40 0 HGABRO COc1ccc(-c2ncc(C[N@@H+]3C[C@@H]4CC[C@@](O)(c5ccccn5)[C@@H]4C3)cn2)cc1 ZINC000019558593 558920374 /nfs/dbraw/zinc/92/03/74/558920374.db2.gz JCZAJFYRKHXDKR-LEEZEASISA-N 1 0 402.498 3.277 40 0 HGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC1)C[C@@H]2O ZINC000019563023 558923501 /nfs/dbraw/zinc/92/35/01/558923501.db2.gz BAGWHZIHWFDRKW-PMACEKPBSA-N 1 0 405.441 3.358 40 0 HGABRO Oc1ccc(-c2n[nH]cc2C[NH+]2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1 ZINC000072327158 558933794 /nfs/dbraw/zinc/93/37/94/558933794.db2.gz KOZBQRYVCSQUFM-UHFFFAOYSA-N 1 0 414.513 3.262 40 0 HGABRO C[N@@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC000019587603 558939822 /nfs/dbraw/zinc/93/98/22/558939822.db2.gz MZZPVTJYLKEASI-LAUBAEHRSA-N 1 0 410.493 3.032 40 0 HGABRO C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC000019587605 558939866 /nfs/dbraw/zinc/93/98/66/558939866.db2.gz MZZPVTJYLKEASI-DYESRHJHSA-N 1 0 410.493 3.032 40 0 HGABRO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019593231 558944299 /nfs/dbraw/zinc/94/42/99/558944299.db2.gz XPHCJWWZTDRUJM-VGSWGCGISA-N 1 0 403.473 3.466 40 0 HGABRO O=c1c(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(N2CCCC2)nc2ccccn21 ZINC000019659047 558950717 /nfs/dbraw/zinc/95/07/17/558950717.db2.gz LVSCYXGMKQVYGZ-UHFFFAOYSA-N 1 0 422.504 3.477 40 0 HGABRO CCn1cnc2sc(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+](C)C)c(C)c2c1=O ZINC000019660307 558951605 /nfs/dbraw/zinc/95/16/05/558951605.db2.gz ZNNVSZYHKLEFAS-HNNXBMFYSA-N 1 0 418.950 3.472 40 0 HGABRO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000072359211 558954992 /nfs/dbraw/zinc/95/49/92/558954992.db2.gz FWVRJNWWLNYOLN-HXUWFJFHSA-N 1 0 421.545 3.150 40 0 HGABRO CNc1cc([C@H]2CCC[N@H+](Cc3cccc(C)c3OC)C2)nc(CN(C)C(C)=O)n1 ZINC000072370151 558956314 /nfs/dbraw/zinc/95/63/14/558956314.db2.gz DJFPTVFICHQILE-SFHVURJKSA-N 1 0 411.550 3.193 40 0 HGABRO CC(C)CC(=O)N1CCO[C@@H](c2c3ccccc3sc2C(=O)NCC[NH+](C)C)C1 ZINC000019697915 558965482 /nfs/dbraw/zinc/96/54/82/558965482.db2.gz FIEIGYOKHLAIRM-QGZVFWFLSA-N 1 0 417.575 3.139 40 0 HGABRO CN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]12 ZINC000072395832 558974787 /nfs/dbraw/zinc/97/47/87/558974787.db2.gz VXRMPYYODADQQD-YKSBVNFPSA-N 1 0 400.482 3.236 40 0 HGABRO C[C@@H]1C[C@H]1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)C[N@H+](CC2CCCCC2)CC3)CC1 ZINC000072398736 558976272 /nfs/dbraw/zinc/97/62/72/558976272.db2.gz DJNQQKJQDPXHIO-VQIMIIECSA-N 1 0 412.578 3.070 40 0 HGABRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cnn2c1nccc2-c1ccccc1 ZINC000019716838 558979060 /nfs/dbraw/zinc/97/90/60/558979060.db2.gz JWGYLWVHAJODEM-UHFFFAOYSA-N 1 0 412.497 3.186 40 0 HGABRO Cc1c(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)sc2[nH]cnc(=O)c12 ZINC000019717833 558980936 /nfs/dbraw/zinc/98/09/36/558980936.db2.gz QEYKNLXJWHLDSU-UHFFFAOYSA-N 1 0 412.515 3.410 40 0 HGABRO COCC[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1cc(C)ccc1O)CC2)C(C)C ZINC000585103756 559025817 /nfs/dbraw/zinc/02/58/17/559025817.db2.gz IXODWEODOPNORX-IBGZPJMESA-N 1 0 404.551 3.069 40 0 HGABRO Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)s1 ZINC000585104909 559027494 /nfs/dbraw/zinc/02/74/94/559027494.db2.gz WUWSMLXERDFQDL-GUDVDZBRSA-N 1 0 421.607 3.007 40 0 HGABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)C2(c3ccc(C)cc3)CC2)CC1 ZINC000585106077 559028427 /nfs/dbraw/zinc/02/84/27/559028427.db2.gz JFTCOAYOUIRCBQ-QIJUGHKUSA-N 1 0 423.601 3.112 40 0 HGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](C5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369858 559030993 /nfs/dbraw/zinc/03/09/93/559030993.db2.gz FXYPTAKKGKQTFF-GJLHXFCQSA-N 1 0 416.606 3.222 40 0 HGABRO CN(C)c1ccc(C(=O)N2CCc3ncc(-c4cccc5c4C[N@H+](C)C5)n3CC2)cc1 ZINC000585111114 559031683 /nfs/dbraw/zinc/03/16/83/559031683.db2.gz DZRIQFVXZSNYDR-UHFFFAOYSA-N 1 0 415.541 3.260 40 0 HGABRO CCCN1CC[N@H+](CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585172750 559068818 /nfs/dbraw/zinc/06/88/18/559068818.db2.gz DZBPCVWVGVFZCL-JOCHJYFZSA-N 1 0 407.558 3.250 40 0 HGABRO COc1ccc([C@@H]2C[N@H+](CC3(O)CCN(c4cccc(F)c4)CC3)CCN2C)cc1 ZINC000585183495 559070290 /nfs/dbraw/zinc/07/02/90/559070290.db2.gz GXNUALNKFVYZAO-QHCPKHFHSA-N 1 0 413.537 3.154 40 0 HGABRO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1cccs1)C2 ZINC000096036251 559089873 /nfs/dbraw/zinc/08/98/73/559089873.db2.gz YPAYTBREPRNEJW-JOCHJYFZSA-N 1 0 412.559 3.336 40 0 HGABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052817 559092539 /nfs/dbraw/zinc/09/25/39/559092539.db2.gz AVVVUDJGWCYVSE-OAQYLSRUSA-N 1 0 405.542 3.352 40 0 HGABRO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1ccc(OC)cc1)CCC2 ZINC000096056046 559093729 /nfs/dbraw/zinc/09/37/29/559093729.db2.gz UKYCXAGOBVGMTD-RDPSFJRHSA-N 1 0 409.530 3.372 40 0 HGABRO COc1ccc(CN(C)c2ccc3ccc(C(=O)N4CC[C@@H]([NH+](C)C)C4)cn32)cc1 ZINC000096146170 559097757 /nfs/dbraw/zinc/09/77/57/559097757.db2.gz PCTPUQRVULCSEL-OAQYLSRUSA-N 1 0 406.530 3.360 40 0 HGABRO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3ccccc3)C2)C1 ZINC000096216013 559101869 /nfs/dbraw/zinc/10/18/69/559101869.db2.gz DRSRSVPPOAKGDD-NRFANRHFSA-N 1 0 403.548 3.109 40 0 HGABRO COCC[N@H+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)c1ccc(-n3cccc3)cc1)C2 ZINC000096228485 559102707 /nfs/dbraw/zinc/10/27/07/559102707.db2.gz MMBOYRGCCJLLQY-HYBUGGRVSA-N 1 0 411.546 3.067 40 0 HGABRO CCC(CC)C[NH+]1CCC2(CC1)O[C@@H](C(=O)Nc1cccnc1C)Cn1ccnc12 ZINC000096243897 559105026 /nfs/dbraw/zinc/10/50/26/559105026.db2.gz UPHWPBGCJOSBOL-HXUWFJFHSA-N 1 0 411.550 3.351 40 0 HGABRO CCN1CC[C@@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2occc2C)CC3)C1=O ZINC000096262757 559106768 /nfs/dbraw/zinc/10/67/68/559106768.db2.gz XFSVCMDVYPTRAF-HSZRJFAPSA-N 1 0 401.551 3.021 40 0 HGABRO CN(C(=O)c1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585261654 559108938 /nfs/dbraw/zinc/10/89/38/559108938.db2.gz CUUQZAHYWPOZNQ-WXFUMESZSA-N 1 0 424.541 3.204 40 0 HGABRO Cc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@H]([NH3+])CC(C)C)CC3)n2)s1 ZINC000585263357 559111988 /nfs/dbraw/zinc/11/19/88/559111988.db2.gz DQUQJONEJMGLLD-MRXNPFEDSA-N 1 0 402.568 3.373 40 0 HGABRO COCCOc1cc(C[NH+]2CCC(O)(COc3ccc(C)cc3)CC2)ccc1OC ZINC000585271179 559116672 /nfs/dbraw/zinc/11/66/72/559116672.db2.gz SVGNBDXJEKLIDE-UHFFFAOYSA-N 1 0 415.530 3.435 40 0 HGABRO CC(=O)N1CC[N@@H+](C2CCC(C)(C)CC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284176 559120552 /nfs/dbraw/zinc/12/05/52/559120552.db2.gz VNGMOGLZANFNRA-HSZRJFAPSA-N 1 0 406.542 3.377 40 0 HGABRO CS(=O)(=O)N1CCCC[C@@H]2[C@H]1CCC[N@@H+]2C[C@@]1(O)CC[C@H](c2ccccc2)CC1 ZINC000585284014 559120873 /nfs/dbraw/zinc/12/08/73/559120873.db2.gz QPIKVKRTIJWCDB-ODAXIHTASA-N 1 0 420.619 3.354 40 0 HGABRO Cn1ccnc1COc1ccc(C[N@H+](C)C[C@H](O)Cn2ccc3ccccc32)cc1 ZINC000257233508 559283965 /nfs/dbraw/zinc/28/39/65/559283965.db2.gz GPOZASHGLJDGQA-NRFANRHFSA-N 1 0 404.514 3.447 40 0 HGABRO Cc1cccc2cc(CN(Cc3ccco3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c12 ZINC000004131748 560599735 /nfs/dbraw/zinc/59/97/35/560599735.db2.gz QYIPCGOFADDUJB-UHFFFAOYSA-N 1 0 412.559 3.258 40 0 HGABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 ZINC000004133449 560600531 /nfs/dbraw/zinc/60/05/31/560600531.db2.gz GVZATSGQVJPAJR-UHFFFAOYSA-N 1 0 422.598 3.317 40 0 HGABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)c1 ZINC000409056016 560670293 /nfs/dbraw/zinc/67/02/93/560670293.db2.gz DOWRTWURRWOJRY-AYHYUOJHSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000409057897 560670691 /nfs/dbraw/zinc/67/06/91/560670691.db2.gz MTRKSCGQRZOFPK-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000409073966 560673709 /nfs/dbraw/zinc/67/37/09/560673709.db2.gz UZWYXSNHSFOKSA-WFZBXURCSA-O 1 0 414.485 3.020 40 0 HGABRO O=C(COc1ccc2c(c1)OCO2)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409415145 560723439 /nfs/dbraw/zinc/72/34/39/560723439.db2.gz VBSIUGOTPKTTKF-DSPLJNTKSA-N 1 0 410.514 3.216 40 0 HGABRO C[NH+](C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccccc1 ZINC000006135739 560739639 /nfs/dbraw/zinc/73/96/39/560739639.db2.gz BIVLJPBCLNYIKB-UHFFFAOYSA-N 1 0 424.526 3.017 40 0 HGABRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2C)cc1 ZINC000010112496 560764205 /nfs/dbraw/zinc/76/42/05/560764205.db2.gz ISGPTMDXVBRECC-UHFFFAOYSA-N 1 0 415.559 3.320 40 0 HGABRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[NH+](C)C)cc2Cl)cc1 ZINC000216437736 568465275 /nfs/dbraw/zinc/46/52/75/568465275.db2.gz LXTDIWKQQHVJGE-UHFFFAOYSA-N 1 0 409.939 3.131 40 0 HGABRO CCOc1ccc(C[NH+]2CCC(O)(c3cnc(OCC)nc3OCC)CC2)cc1 ZINC000057743814 568495705 /nfs/dbraw/zinc/49/57/05/568495705.db2.gz VMDREJQVCOPLIQ-UHFFFAOYSA-N 1 0 401.507 3.156 40 0 HGABRO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)n1-c1cccnc1 ZINC000223219227 568541379 /nfs/dbraw/zinc/54/13/79/568541379.db2.gz JMSZAGRNERAHIX-YADHBBJMSA-N 1 0 420.586 3.500 40 0 HGABRO Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)nc1 ZINC000223257374 568542874 /nfs/dbraw/zinc/54/28/74/568542874.db2.gz VSOVMBPFTUPYMW-SFTDATJTSA-N 1 0 406.559 3.110 40 0 HGABRO COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223259552 568543043 /nfs/dbraw/zinc/54/30/43/568543043.db2.gz OWLCDXYZENVUOK-FCHUYYIVSA-N 1 0 421.570 3.415 40 0 HGABRO COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1 ZINC000223279357 568543887 /nfs/dbraw/zinc/54/38/87/568543887.db2.gz JDWPKDMXEUHNTN-FCHUYYIVSA-N 1 0 421.570 3.415 40 0 HGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000224390224 568580052 /nfs/dbraw/zinc/58/00/52/568580052.db2.gz BJPFERNUBDOHBV-LJQANCHMSA-N 1 0 407.580 3.001 40 0 HGABRO CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000224786520 568596848 /nfs/dbraw/zinc/59/68/48/568596848.db2.gz RBYBEMFSVGPMAQ-UHFFFAOYSA-N 1 0 421.950 3.237 40 0 HGABRO Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)c(I)c1 ZINC000225027299 568609905 /nfs/dbraw/zinc/60/99/05/568609905.db2.gz KHNLNFFGOAKSJN-UHFFFAOYSA-N 1 0 400.304 3.451 40 0 HGABRO Cc1cc(C)cc(N(CCCC(=O)NCCC[N@H+]2CCC[C@H](C)C2)S(C)(=O)=O)c1 ZINC000260772830 568738611 /nfs/dbraw/zinc/73/86/11/568738611.db2.gz WVSMOCUNTQZXTM-SFHVURJKSA-N 1 0 423.623 3.088 40 0 HGABRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@]3(C)NC(=O)CCC[C@H]23)c(OCC(N)=O)c1 ZINC000257208489 568778490 /nfs/dbraw/zinc/77/84/90/568778490.db2.gz BMJSPTQOZCFZDQ-RDPSFJRHSA-N 1 0 415.578 3.262 40 0 HGABRO COc1cc2c(cc1CN1CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C1)CCC2 ZINC000257241744 568787905 /nfs/dbraw/zinc/78/79/05/568787905.db2.gz HZLLFWIVZRIXKZ-HSZRJFAPSA-N 1 0 417.513 3.192 40 0 HGABRO O=C(CCCn1ccnc1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257243239 568788240 /nfs/dbraw/zinc/78/82/40/568788240.db2.gz IFZZQLDTMZHMKK-LSQMVHIFSA-N 1 0 424.589 3.117 40 0 HGABRO O=C(N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000257247275 568789417 /nfs/dbraw/zinc/78/94/17/568789417.db2.gz IYGHDCAUJYLGHD-WXFUMESZSA-N 1 0 424.541 3.252 40 0 HGABRO O=C(NCCn1nc([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c2cccnc21)C1CC1 ZINC000257296282 568803323 /nfs/dbraw/zinc/80/33/23/568803323.db2.gz RCBGQMXKHKOPFI-IBGZPJMESA-N 1 0 421.520 3.476 40 0 HGABRO CCOC[C@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217481 568836360 /nfs/dbraw/zinc/83/63/60/568836360.db2.gz OTWBSRSMBMOJHH-CEXWTWQISA-N 1 0 424.360 3.370 40 0 HGABRO COc1cccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)c1 ZINC000306126194 568888873 /nfs/dbraw/zinc/88/88/73/568888873.db2.gz DPESYCFYQLYJHI-NHCUHLMSSA-N 1 0 408.527 3.343 40 0 HGABRO COc1ccc(C(C)C)cc1CN1CCO[C@@]2(CCCC[C@@H]2[NH2+]CC(=O)N(C)C)C1 ZINC000306127000 568889708 /nfs/dbraw/zinc/88/97/08/568889708.db2.gz FLGPNJHDHGKYNY-UPVQGACJSA-N 1 0 417.594 3.010 40 0 HGABRO O=C(c1ccc2c(c1)OCCCO2)N1CCO[C@]2(CCCC[C@@H]2[NH+]2CCCC2)C1 ZINC000306127739 568890536 /nfs/dbraw/zinc/89/05/36/568890536.db2.gz GFXDHOOYKCPMKA-JTHBVZDNSA-N 1 0 400.519 3.098 40 0 HGABRO Cc1ccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)s1 ZINC000306131012 568893473 /nfs/dbraw/zinc/89/34/73/568893473.db2.gz JUUVTNYBSFMMCM-CABCVRRESA-N 1 0 411.506 3.344 40 0 HGABRO Cn1nccc1[C@@H]1C[N@H+](Cc2ccncc2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306133429 568895299 /nfs/dbraw/zinc/89/52/99/568895299.db2.gz MLAUJOGDVSJVBV-WIOPSUGQSA-N 1 0 415.541 3.224 40 0 HGABRO COCCN1CC[C@]2(C[N@H+](Cc3sccc3C)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306136875 568898686 /nfs/dbraw/zinc/89/86/86/568898686.db2.gz QFJZHKJMBUTWRL-XMSQKQJNSA-N 1 0 416.591 3.298 40 0 HGABRO Cc1cccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)c1 ZINC000306137980 568899828 /nfs/dbraw/zinc/89/98/28/568899828.db2.gz RLSKDMIMTGFOEC-MSOLQXFVSA-N 1 0 405.477 3.282 40 0 HGABRO Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCC[N@H+](C[C@H]4C[C@@H]5C=C[C@H]4C5)C3)O2)cc1 ZINC000306139307 568901059 /nfs/dbraw/zinc/90/10/59/568901059.db2.gz SUHXXBVZYCZOEE-JIOWWTJOSA-N 1 0 410.558 3.187 40 0 HGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccoc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306139498 568901353 /nfs/dbraw/zinc/90/13/53/568901353.db2.gz SYUOOOSTIYWNKI-URXFXBBRSA-N 1 0 419.529 3.470 40 0 HGABRO COCCn1cnc2c1C1(CC[NH+](Cc3cccnc3OC)CC1)Oc1ccccc1-2 ZINC000306141944 568903476 /nfs/dbraw/zinc/90/34/76/568903476.db2.gz WKZZBQMKKLZXON-UHFFFAOYSA-N 1 0 420.513 3.484 40 0 HGABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4ccc(C)s4)C[C@H]2C3)cc1 ZINC000306142678 568904296 /nfs/dbraw/zinc/90/42/96/568904296.db2.gz XGGQXCZGKZNZGJ-CVEARBPZSA-N 1 0 423.542 3.213 40 0 HGABRO CCOC[C@]1(C[NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218121692 568926054 /nfs/dbraw/zinc/92/60/54/568926054.db2.gz ZJNJMNNUEPNQEG-HSALFYBXSA-N 1 0 409.935 3.270 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccncc2)n1 ZINC000328971697 568970690 /nfs/dbraw/zinc/97/06/90/568970690.db2.gz DSTFKFRNARLONH-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000328979588 568971101 /nfs/dbraw/zinc/97/11/01/568971101.db2.gz GGVGYNPCJOQOHW-UHFFFAOYSA-N 1 0 402.424 3.118 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C2CC2)n1 ZINC000329036417 568973839 /nfs/dbraw/zinc/97/38/39/568973839.db2.gz RIQIQXPOKXNKLX-UHFFFAOYSA-N 1 0 415.847 3.467 40 0 HGABRO Cc1c(Br)cccc1Nc1cc(C2CC2)nc(NCCC[NH+](C)C)n1 ZINC000329058990 568974899 /nfs/dbraw/zinc/97/48/99/568974899.db2.gz WESSEZCUBZGZOI-UHFFFAOYSA-N 1 0 404.356 3.376 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccccn2)n1 ZINC000329055586 568974902 /nfs/dbraw/zinc/97/49/02/568974902.db2.gz VPIZXKXYIJVMIQ-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO Cc1ccc(Nc2cc(-c3ccncc3)nc(NCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329069022 568975658 /nfs/dbraw/zinc/97/56/58/568975658.db2.gz YUEDHLQKGXWSMC-UHFFFAOYSA-N 1 0 416.451 3.427 40 0 HGABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)CC1 ZINC000009062928 569342255 /nfs/dbraw/zinc/34/22/55/569342255.db2.gz IOKIIKNZWLADOE-UHFFFAOYSA-N 1 0 415.559 3.242 40 0 HGABRO O[C@H](C[N@@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000019332958 569345454 /nfs/dbraw/zinc/34/54/54/569345454.db2.gz FXGUBIVSHDAYFI-OFNKIYASSA-N 1 0 401.478 3.394 40 0 HGABRO [NH3+][C@@H](C(=O)NCC1CCC(c2ccnc(Nc3cncnc3)n2)CC1)c1ccccc1 ZINC000072379937 569352494 /nfs/dbraw/zinc/35/24/94/569352494.db2.gz DDQOCAOLNDFPTE-MYKUNDNFSA-N 1 0 417.517 3.100 40 0 HGABRO CNc1cc([C@H]2CCC[NH2+]C2)nc(CN(C)C(=O)CCCc2ccc(F)c(C)c2)n1 ZINC000019709958 569428927 /nfs/dbraw/zinc/42/89/27/569428927.db2.gz BHMWFKXUQKLRDL-SFHVURJKSA-N 1 0 413.541 3.414 40 0 HGABRO Cn1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3cncnc3)c4=O)C2)c2ccccc21 ZINC000003841853 291242353 /nfs/dbraw/zinc/24/23/53/291242353.db2.gz YXOOINIQKSZEBC-ZWKOTPCHSA-N 1 0 411.509 3.416 40 0 biogenic,in-vitro HGABRO CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(O)(c4cccc(C)c4)CC3)ccc21 ZINC000012326561 132358777 /nfs/dbraw/zinc/35/87/77/132358777.db2.gz UVRLYJQWDCYCBN-XMMPIXPASA-N 1 0 408.542 3.311 40 0 HGABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857105 525137357 /nfs/dbraw/zinc/13/73/57/525137357.db2.gz BXLUAGFQRDOCEO-QFBILLFUSA-N 1 0 418.534 3.319 40 0 HGABRO COc1ccc2nc(C[N@@H+]3CCc4nc(N5CCC(C)CC5)[nH]c(=O)c4C3)ccc2c1 ZINC000012117871 537052920 /nfs/dbraw/zinc/05/29/20/537052920.db2.gz CCTGVTPWISABKT-UHFFFAOYSA-N 1 0 419.529 3.121 40 0 HGABRO COc1ccccc1OCC[NH2+]C[C@@H](O)COc1c2c(ccc1O)[nH]c1ccccc12 ZINC000006019308 557684294 /nfs/dbraw/zinc/68/42/94/557684294.db2.gz RWDSIYCVHJZURY-MRXNPFEDSA-N 1 0 422.481 3.444 40 0 in-vitro HGABRO COc1ccc(-c2ccnc3cc(C(=O)NC(C)(C)C[NH+]4CCCCC4)nn32)cc1 ZINC000035316663 557691440 /nfs/dbraw/zinc/69/14/40/557691440.db2.gz OQHSLQRJRLYRPT-UHFFFAOYSA-N 1 0 407.518 3.399 40 0 HGABRO Cc1nc([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765849 558278105 /nfs/dbraw/zinc/27/81/05/558278105.db2.gz FKZQXFWOFDYPDD-LJQANCHMSA-N 1 0 421.545 3.085 40 0 HGABRO COCc1cc(N2CCCC2)nc(C2=CC[N@H+](C[C@H](O)c3ccc(OC)cc3)CC2)n1 ZINC000012185802 558345176 /nfs/dbraw/zinc/34/51/76/558345176.db2.gz DZZHDKNEUOPBRE-QFIPXVFZSA-N 1 0 424.545 3.055 40 0 HGABRO CC(C)NC(=O)Cn1cc(C[N@@H+]2CCC[C@@H](CN3CCCC3=O)C2)c2ccccc21 ZINC000012220231 558355274 /nfs/dbraw/zinc/35/52/74/558355274.db2.gz CRTANKIWCGUTCS-LJQANCHMSA-N 1 0 410.562 3.000 40 0 HGABRO Cc1cc(-c2cnc(N3CCOCC3)nc2C2CC[NH+](Cc3cccnc3)CC2)on1 ZINC000012232390 558358311 /nfs/dbraw/zinc/35/83/11/558358311.db2.gz DNXMRVLCFKOXGB-UHFFFAOYSA-N 1 0 420.517 3.051 40 0 HGABRO CC(C)n1c2ccc(S(=O)(=O)NC3(C[NH+]4CCCC4)CCCCC3)cc2oc1=O ZINC000012239268 558359848 /nfs/dbraw/zinc/35/98/48/558359848.db2.gz OTLHWXOQYZNEFL-UHFFFAOYSA-N 1 0 421.563 3.252 40 0 HGABRO CC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293416 558366482 /nfs/dbraw/zinc/36/64/82/558366482.db2.gz BLNYQDPZICOFAH-FCHUYYIVSA-N 1 0 410.514 3.338 40 0 HGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000020460735 558372927 /nfs/dbraw/zinc/37/29/27/558372927.db2.gz NDUVQOXDRNPWJT-HNNXBMFYSA-N 1 0 401.960 3.096 40 0 HGABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329347 558384042 /nfs/dbraw/zinc/38/40/42/558384042.db2.gz ZUOGIJIWJSTVCM-PMACEKPBSA-N 1 0 411.498 3.150 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(SC)cc1 ZINC000020636837 558396221 /nfs/dbraw/zinc/39/62/21/558396221.db2.gz XFHNJKGNKCLCNB-UXHICEINSA-N 1 0 423.538 3.173 40 0 HGABRO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000022075874 558462766 /nfs/dbraw/zinc/46/27/66/558462766.db2.gz YRCQFIOBBCHSLW-IBGZPJMESA-N 1 0 400.519 3.202 40 0 HGABRO Cc1ccc(N(CCCC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1C ZINC000013649310 558557899 /nfs/dbraw/zinc/55/78/99/558557899.db2.gz MPHHWNGKOGSTGK-UHFFFAOYSA-N 1 0 423.623 3.232 40 0 HGABRO C[C@@H](C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)[NH+]1CCCC1 ZINC000019080262 558839080 /nfs/dbraw/zinc/83/90/80/558839080.db2.gz FMQQTYHXIOTQTN-KRWDZBQOSA-N 1 0 407.493 3.352 40 0 HGABRO CC(C)(C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019081282 558839380 /nfs/dbraw/zinc/83/93/80/558839380.db2.gz SADJVYKGDFLATH-OAHLLOKOSA-N 1 0 414.575 3.142 40 0 HGABRO O=c1cc(C2CC[NH+](Cc3c[nH]cc4c(Cl)nnc3-4)CC2)nc(-c2cccnc2)[nH]1 ZINC000019340899 558871634 /nfs/dbraw/zinc/87/16/34/558871634.db2.gz MDYHTQSKKUYEGA-UHFFFAOYSA-N 1 0 421.892 3.136 40 0 HGABRO O[C@@H]1C[C@H]2CN(Cc3ccc(Br)s3)[C@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000019372767 558880015 /nfs/dbraw/zinc/88/00/15/558880015.db2.gz JVHXGXPPTNWALC-IXDOHACOSA-N 1 0 407.377 3.373 40 0 HGABRO COc1cccc([C@@H]2CN(C(=O)C[N@@H+]3CCCC[C@@H]3C)C[C@H]2c2csnn2)c1 ZINC000019496347 558895210 /nfs/dbraw/zinc/89/52/10/558895210.db2.gz YIKNDKBGGIAACV-ZYSHUDEJSA-N 1 0 400.548 3.131 40 0 HGABRO C[C@H](CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2)[NH+]1CCC(C)CC1 ZINC000019496791 558895603 /nfs/dbraw/zinc/89/56/03/558895603.db2.gz GXFQDXKEFDSJDL-UKPHBRMFSA-N 1 0 413.488 3.431 40 0 HGABRO C[C@@H](CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2)[NH+]1CCC(C)CC1 ZINC000019496790 558895611 /nfs/dbraw/zinc/89/56/11/558895611.db2.gz GXFQDXKEFDSJDL-JLJPHGGASA-N 1 0 413.488 3.431 40 0 HGABRO CC[C@@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2OC)CC3)C1 ZINC000019499784 558897757 /nfs/dbraw/zinc/89/77/57/558897757.db2.gz OQATWKUFUVPNCU-AEFFLSMTSA-N 1 0 424.545 3.111 40 0 HGABRO CC[C@H](C)C(=O)N1CCc2cc([C@@H](O)C[N@@H+]3CCCN(c4ccccn4)CC3)ccc21 ZINC000019499895 558898025 /nfs/dbraw/zinc/89/80/25/558898025.db2.gz ZJHLLYIYFSJPRX-CVDCTZTESA-N 1 0 422.573 3.263 40 0 HGABRO COc1cc(C[NH+]2CCC([C@@H]3CNC(=O)c4ccccc43)CC2)cc(OC)c1OC ZINC000019549690 558914400 /nfs/dbraw/zinc/91/44/00/558914400.db2.gz JJHXRAYUPDDPPC-FQEVSTJZSA-N 1 0 410.514 3.452 40 0 HGABRO COc1ccccc1C[N@@H+]1CCC[C@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1 ZINC000019570203 558929125 /nfs/dbraw/zinc/92/91/25/558929125.db2.gz CPIROQMMDIVEPV-RUZDIDTESA-N 1 0 416.525 3.462 40 0 HGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)c(C)c1C ZINC000019577365 558933077 /nfs/dbraw/zinc/93/30/77/558933077.db2.gz ZXEZXIJEEGIYCL-GOSISDBHSA-N 1 0 405.502 3.232 40 0 HGABRO COc1ccccc1[C@H](C[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12)N(C)C ZINC000019581509 558936937 /nfs/dbraw/zinc/93/69/37/558936937.db2.gz SXAIIJMYPLEQOL-NRFANRHFSA-N 1 0 402.502 3.192 40 0 HGABRO C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000019588129 558940111 /nfs/dbraw/zinc/94/01/11/558940111.db2.gz QJQUGCKKZHBAPJ-UHFFFAOYSA-N 1 0 403.530 3.106 40 0 HGABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)CC1 ZINC000072346257 558943070 /nfs/dbraw/zinc/94/30/70/558943070.db2.gz QGIRHCUPKPDXSA-QGZVFWFLSA-N 1 0 413.953 3.427 40 0 HGABRO COCc1ccc(OC)c(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c1 ZINC000072352944 558949353 /nfs/dbraw/zinc/94/93/53/558949353.db2.gz RSPVRODVYWDRDD-LJQANCHMSA-N 1 0 420.513 3.367 40 0 HGABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000072370361 558956771 /nfs/dbraw/zinc/95/67/71/558956771.db2.gz LTRXPEDZFLBFLH-INIZCTEOSA-N 1 0 409.559 3.324 40 0 HGABRO O=C(NC[C@@H]1CCCOC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373037 558960875 /nfs/dbraw/zinc/96/08/75/558960875.db2.gz MIWZJOWBCINJRO-PMVMPFDFSA-N 1 0 406.526 3.160 40 0 HGABRO Cc1cnc(-c2nc(C[N@H+](C)CC3CC3)ncc2C(=O)NCc2ccccc2)cn1 ZINC000019696903 558964757 /nfs/dbraw/zinc/96/47/57/558964757.db2.gz ICHIHZYWHMDOIS-UHFFFAOYSA-N 1 0 402.502 3.014 40 0 HGABRO CCc1nnc(Nc2cccc(C3CC[NH+](C4CCN(C(C)=O)CC4)CC3)n2)s1 ZINC000072376174 558965318 /nfs/dbraw/zinc/96/53/18/558965318.db2.gz CWUYNBRTNUFJSU-UHFFFAOYSA-N 1 0 414.579 3.429 40 0 HGABRO CNc1nc([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019707181 558969436 /nfs/dbraw/zinc/96/94/36/558969436.db2.gz ZBXKMAJMQRGHNX-HXUWFJFHSA-N 1 0 407.562 3.235 40 0 HGABRO CCC(C)(C)NC(=O)c1ccc2c(c1)nc1n(c2=O)CC[N@H+](Cc2ccccc2)CC1 ZINC000072389658 558970278 /nfs/dbraw/zinc/97/02/78/558970278.db2.gz YBAFBWUCGAOREB-UHFFFAOYSA-N 1 0 418.541 3.373 40 0 HGABRO CCOc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccccc4OC)C[C@H]32)c(OCC)n1 ZINC000072392642 558972438 /nfs/dbraw/zinc/97/24/38/558972438.db2.gz LDLCERNOZUKVCH-XKDCRVNJSA-N 1 0 413.518 3.012 40 0 HGABRO CCS(=O)(=O)NC1CC2(C1)CC[NH+](Cc1ccc(OCC(F)F)cc1)CC2 ZINC000585103192 559026562 /nfs/dbraw/zinc/02/65/62/559026562.db2.gz MPEDCMPNPLNTLD-UHFFFAOYSA-N 1 0 402.507 3.014 40 0 HGABRO C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCN(S(=O)(=O)Cc2ccccc2)CC3)C1 ZINC000585104246 559026878 /nfs/dbraw/zinc/02/68/78/559026878.db2.gz OSIPRLPMLDMORB-CTNGQTDRSA-N 1 0 406.592 3.119 40 0 HGABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)C2(c3ccc(C)cc3)CC2)CC1 ZINC000585106076 559028301 /nfs/dbraw/zinc/02/83/01/559028301.db2.gz JFTCOAYOUIRCBQ-BWAGFHJFSA-N 1 0 423.601 3.112 40 0 HGABRO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@@H]21 ZINC000585109579 559029355 /nfs/dbraw/zinc/02/93/55/559029355.db2.gz BVQYSMZDCYZJRA-SXWKCWPCSA-N 1 0 416.468 3.014 40 0 HGABRO COCc1ccc(C(=O)N2CCc3ncc(-c4cccc5c4C[N@H+](C)C5)n3CC2)cc1 ZINC000585111673 559030764 /nfs/dbraw/zinc/03/07/64/559030764.db2.gz ZTDZGRQZIUNDSX-UHFFFAOYSA-N 1 0 416.525 3.340 40 0 HGABRO Cc1cc(C)nc(C(=O)N2CCc3[nH]nc(-c4cccc5c4C[N@H+](C)C5)c3CC2)c1 ZINC000585110469 559031350 /nfs/dbraw/zinc/03/13/50/559031350.db2.gz ZTBJKKZMNBKJLV-UHFFFAOYSA-N 1 0 401.514 3.275 40 0 HGABRO Cc1nc(C)c(C(=O)N2CCc3ncc(-c4cccc5c4C[N@H+](C)C5)n3CC2)s1 ZINC000585111285 559031830 /nfs/dbraw/zinc/03/18/30/559031830.db2.gz MRSVBCWFYPUKQL-UHFFFAOYSA-N 1 0 407.543 3.267 40 0 HGABRO COc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1 ZINC000095532944 559087186 /nfs/dbraw/zinc/08/71/86/559087186.db2.gz LBAQYJOJTNEFOU-JDKSZYQJSA-N 1 0 402.579 3.410 40 0 HGABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1cccs1)CC3 ZINC000096036329 559089924 /nfs/dbraw/zinc/08/99/24/559089924.db2.gz AYNMIBHOZIQZST-WMZHIEFXSA-N 1 0 415.603 3.325 40 0 HGABRO CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096036938 559090813 /nfs/dbraw/zinc/09/08/13/559090813.db2.gz PJTQMGYTAUUZAI-UHFFFAOYSA-N 1 0 424.574 3.007 40 0 HGABRO CCN1[C@H]2CC[N@H+](Cc3ccc(OC)cc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145741 559097537 /nfs/dbraw/zinc/09/75/37/559097537.db2.gz QMTWWYHGYZVFOZ-PMACEKPBSA-N 1 0 416.543 3.131 40 0 HGABRO C[NH+](C)[C@H]1CCN(C(=O)c2cnc(-c3noc4cc(N5CCCC5)ccc43)s2)C1 ZINC000096154562 559098968 /nfs/dbraw/zinc/09/89/68/559098968.db2.gz LLPKYXBEAOCCON-HNNXBMFYSA-N 1 0 411.531 3.328 40 0 HGABRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(S(=O)(=O)c4cccs4)C3)C2)c1 ZINC000096215601 559101715 /nfs/dbraw/zinc/10/17/15/559101715.db2.gz WKYJZKUXLHSYLW-FQEVSTJZSA-N 1 0 406.573 3.434 40 0 HGABRO O=S(=O)(c1ccccc1)N1C[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000096245397 559105035 /nfs/dbraw/zinc/10/50/35/559105035.db2.gz AMROHVSSEUFAAR-IAGOWNOFSA-N 1 0 410.461 3.458 40 0 HGABRO C[NH+](C)C1CCN(C(=O)c2cc3c(s2)CCN3C(=O)c2ccc(F)cc2)CC1 ZINC000096264552 559107541 /nfs/dbraw/zinc/10/75/41/559107541.db2.gz OEZRSKJJSDBABF-UHFFFAOYSA-N 1 0 401.507 3.256 40 0 HGABRO CN1C(=O)C2(C[C@H]1Cc1cccc(-c3cnc4ccc(Cl)cn43)n1)CC[NH2+]CC2 ZINC000585263419 559111710 /nfs/dbraw/zinc/11/17/10/559111710.db2.gz YTFQWJLNJAETKF-QGZVFWFLSA-N 1 0 409.921 3.193 40 0 HGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282234 559119886 /nfs/dbraw/zinc/11/98/86/559119886.db2.gz CCJFJGCNWQSEGF-YFXJRYMSSA-N 1 0 409.542 3.235 40 0 HGABRO Cc1cc(OC[C@@]2(O)C[N@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)ccc1F ZINC000585285240 559121514 /nfs/dbraw/zinc/12/15/14/559121514.db2.gz DDPVFAHGCOMUKZ-CJOZULMCSA-N 1 0 423.569 3.278 40 0 HGABRO COc1cc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc(OC)c1OC ZINC000585290625 559123251 /nfs/dbraw/zinc/12/32/51/559123251.db2.gz YSMFJHXEIWSPFZ-WAOWUJCRSA-N 1 0 405.466 3.302 40 0 HGABRO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH+]3CCN(c4ncccn4)CC3)C=C2C)o1 ZINC000035442631 560079865 /nfs/dbraw/zinc/07/98/65/560079865.db2.gz CDOKAGJGWGLMRW-ACRUOGEOSA-N 1 0 410.566 3.387 40 0 biogenic,in-vitro HGABRO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)cc2c1 ZINC000000907660 560545764 /nfs/dbraw/zinc/54/57/64/560545764.db2.gz QCYONIKXGLCGJD-NRFANRHFSA-N 1 0 418.476 3.196 40 0 HGABRO Cc1ccc2cc(CN(C(=S)NCCC[NH+](C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000004131715 560599738 /nfs/dbraw/zinc/59/97/38/560599738.db2.gz UNWGOOULRGOTOH-UHFFFAOYSA-N 1 0 400.592 3.407 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000409053637 560671165 /nfs/dbraw/zinc/67/11/65/560671165.db2.gz GPLCAAAEVGAVON-MAEDJNRBSA-O 1 0 422.867 3.495 40 0 HGABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)c1 ZINC000409060730 560671179 /nfs/dbraw/zinc/67/11/79/560671179.db2.gz UNYMVJHZNZAQAA-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 ZINC000409063607 560671993 /nfs/dbraw/zinc/67/19/93/560671993.db2.gz AFOXKHJZUWXECS-WXUIRWOTSA-O 1 0 402.449 3.150 40 0 HGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409072755 560673444 /nfs/dbraw/zinc/67/34/44/560673444.db2.gz SHFZIPDYQJCLRN-WFZBXURCSA-O 1 0 414.485 3.020 40 0 HGABRO O=C(CN1Cc2ccccc2C1=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000409415253 560723586 /nfs/dbraw/zinc/72/35/86/560723586.db2.gz YANKGUFDQNGLKJ-RDCABSMISA-N 1 0 405.542 3.064 40 0 HGABRO CC(C)(C)n1ccc(C[NH+]2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1 ZINC000014001566 560837301 /nfs/dbraw/zinc/83/73/01/560837301.db2.gz ZJNIBPVYAXILPN-FQEVSTJZSA-N 1 0 402.564 3.185 40 0 HGABRO COc1cc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000017082263 560862072 /nfs/dbraw/zinc/86/20/72/560862072.db2.gz CVCAFUZWDCVAOY-UHFFFAOYSA-N 1 0 401.532 3.227 40 0 HGABRO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3C)cc2)CC1 ZINC000017089351 560864108 /nfs/dbraw/zinc/86/41/08/560864108.db2.gz GJHOJRLAHOCNSD-UHFFFAOYSA-N 1 0 412.559 3.029 40 0 HGABRO COc1ccc(Cn2nnnc2[C@H](CC(C)C)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020141394 560881583 /nfs/dbraw/zinc/88/15/83/560881583.db2.gz XPBHBAUGUJNIHZ-QFIPXVFZSA-N 1 0 412.582 3.377 40 0 HGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]CC2CC2)[C@@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000604382175 568489412 /nfs/dbraw/zinc/48/94/12/568489412.db2.gz IZYMJVRPWDXBFG-UAFMIMERSA-N 1 0 421.463 3.062 40 0 biogenic,in-vitro HGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382404 568489537 /nfs/dbraw/zinc/48/95/37/568489537.db2.gz QVUGZKMPTPQQTD-SSGKUCQKSA-N 1 0 423.944 3.487 40 0 biogenic,in-vitro HGABRO CC(C)[C@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000057671558 568495239 /nfs/dbraw/zinc/49/52/39/568495239.db2.gz SCYSTUUKYYYKMI-LJQANCHMSA-N 1 0 400.527 3.441 40 0 HGABRO COc1ccc(-c2noc(CNC(=O)[C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222600037 568519999 /nfs/dbraw/zinc/51/99/99/568519999.db2.gz SQFSTPULXBZMAZ-SFHVURJKSA-N 1 0 424.476 3.413 40 0 HGABRO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)n1-c1cccnc1 ZINC000223219286 568541345 /nfs/dbraw/zinc/54/13/45/568541345.db2.gz JMSZAGRNERAHIX-FCHUYYIVSA-N 1 0 420.586 3.500 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 ZINC000223220089 568541410 /nfs/dbraw/zinc/54/14/10/568541410.db2.gz NZQPCMQPODGIQO-NHCUHLMSSA-N 1 0 409.559 3.449 40 0 HGABRO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)n1-c1cccnc1 ZINC000223261257 568543178 /nfs/dbraw/zinc/54/31/78/568543178.db2.gz HXLZQIONRSLRHY-RTWAWAEBSA-N 1 0 406.559 3.110 40 0 HGABRO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+](C)C)c(Cl)c2)cc1 ZINC000224242261 568574986 /nfs/dbraw/zinc/57/49/86/568574986.db2.gz JISAIVNULKBCKH-UHFFFAOYSA-N 1 0 423.966 3.155 40 0 HGABRO COC(=O)c1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)ccc1C ZINC000224697912 568592640 /nfs/dbraw/zinc/59/26/40/568592640.db2.gz RUFCNHKRYXNKSM-UHFFFAOYSA-N 1 0 416.543 3.246 40 0 HGABRO O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257262279 568793527 /nfs/dbraw/zinc/79/35/27/568793527.db2.gz LKUNWAMUQXQQDK-OAQYLSRUSA-N 1 0 418.488 3.165 40 0 HGABRO CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CC[NH+]3CCCCC3)CCO2)n1 ZINC000257263694 568793810 /nfs/dbraw/zinc/79/38/10/568793810.db2.gz LRBGPCZLPYEOKV-OAQYLSRUSA-N 1 0 412.534 3.383 40 0 HGABRO Cc1nccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1O ZINC000257277101 568797461 /nfs/dbraw/zinc/79/74/61/568797461.db2.gz NWJRBKGUWDSKCA-DNVJHFABSA-N 1 0 410.562 3.404 40 0 HGABRO O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257280676 568798724 /nfs/dbraw/zinc/79/87/24/568798724.db2.gz OLWBCKRDBQHMCW-HXUWFJFHSA-N 1 0 409.452 3.395 40 0 HGABRO c1cn2cc(C[C@@H]3COCC[N@H+](Cc4cccc(Oc5ncccn5)c4)C3)ncc2n1 ZINC000257317193 568809341 /nfs/dbraw/zinc/80/93/41/568809341.db2.gz VISSXHDNKPTHGB-IBGZPJMESA-N 1 0 416.485 3.003 40 0 HGABRO O=C(C[NH+]1CCCCC1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)c(Cl)c3)CO2)C1 ZINC000257337610 568815402 /nfs/dbraw/zinc/81/54/02/568815402.db2.gz YTNVHXRDVSUHSA-UTKZUKDTSA-N 1 0 410.917 3.494 40 0 HGABRO COc1ccc(C(C)C)cc1CN1CCO[C@]2(CCCC[C@@H]2[NH2+]CC(=O)N(C)C)C1 ZINC000306126999 568889751 /nfs/dbraw/zinc/88/97/51/568889751.db2.gz FLGPNJHDHGKYNY-LADGPHEKSA-N 1 0 417.594 3.010 40 0 HGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(N4CCC(F)(F)CC4)nc23)cn1 ZINC000306134648 568896500 /nfs/dbraw/zinc/89/65/00/568896500.db2.gz NUJMLHJYXMMRCU-NRFANRHFSA-N 1 0 415.488 3.089 40 0 HGABRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](CNC(=O)c4ccc(C)cc4)O3)C2)cc1 ZINC000306135787 568897778 /nfs/dbraw/zinc/89/77/78/568897778.db2.gz PAXKMWPDJXWEKB-ILBGXUMGSA-N 1 0 408.542 3.483 40 0 HGABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306136573 568898517 /nfs/dbraw/zinc/89/85/17/568898517.db2.gz PXHLWRKVAIHQRS-IRXDYDNUSA-N 1 0 407.905 3.488 40 0 HGABRO Cc1ccc(C(=O)NC[C@@H]2CC[C@@]3(COCC[N@H+](Cc4cccs4)C3)O2)cc1 ZINC000306137489 568899308 /nfs/dbraw/zinc/89/93/08/568899308.db2.gz QXRIRPBAVVWQMS-SIKLNZKXSA-N 1 0 400.544 3.237 40 0 HGABRO Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCC[N@H+](Cc4cccs4)C3)O2)cc1 ZINC000306137488 568899359 /nfs/dbraw/zinc/89/93/59/568899359.db2.gz QXRIRPBAVVWQMS-KNQAVFIVSA-N 1 0 400.544 3.237 40 0 HGABRO Cn1nccc1[C@@H]1C[N@H+](Cc2ccccn2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306137812 568899667 /nfs/dbraw/zinc/89/96/67/568899667.db2.gz RHFIACZMQGDQNT-WIOPSUGQSA-N 1 0 415.541 3.224 40 0 HGABRO COc1ccc(-c2ccc3c(c2)S(=O)(=O)N(C)CC2(CC[NH+](C)CC2)CO3)cc1 ZINC000306138153 568900243 /nfs/dbraw/zinc/90/02/43/568900243.db2.gz RQTXNYOWWGJBDH-UHFFFAOYSA-N 1 0 416.543 3.087 40 0 HGABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4scnc4C)C[C@H]32)cc1 ZINC000306144655 568906095 /nfs/dbraw/zinc/90/60/95/568906095.db2.gz ZKZCNVVPSJHILW-WOJBJXKFSA-N 1 0 408.527 3.343 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccn2)n1 ZINC000329019430 568973017 /nfs/dbraw/zinc/97/30/17/568973017.db2.gz NWWIIUSYXKKNBC-UHFFFAOYSA-N 1 0 400.889 3.282 40 0 HGABRO Cc1cc(Br)cc(C)c1Nc1cc(C2CC2)nc(NCC[NH+](C)C)n1 ZINC000329036434 568973846 /nfs/dbraw/zinc/97/38/46/568973846.db2.gz RISJHTGNLFEJEG-UHFFFAOYSA-N 1 0 404.356 3.294 40 0 HGABRO O=C(COc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199157 569059016 /nfs/dbraw/zinc/05/90/16/569059016.db2.gz VBSIUGOTPKTTKF-KBVWPGPTSA-N 1 0 410.514 3.216 40 0 HGABRO C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCC(C)CC2)CC3)C1 ZINC000248106450 569316197 /nfs/dbraw/zinc/31/61/97/569316197.db2.gz LRJJRJGCDCTXNE-ZKJCDFIUSA-N 1 0 412.578 3.481 40 0 HGABRO C[C@@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 ZINC000248150545 569316556 /nfs/dbraw/zinc/31/65/56/569316556.db2.gz TWMURSCRWCSUNG-WIYYLYMNSA-N 1 0 418.545 3.364 40 0 HGABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000010112035 569342890 /nfs/dbraw/zinc/34/28/90/569342890.db2.gz PWGXYNLGVAZGQJ-UHFFFAOYSA-N 1 0 415.559 3.402 40 0 HGABRO CN(CCO)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000019702031 569347314 /nfs/dbraw/zinc/34/73/14/569347314.db2.gz WIMPBWHDIIFIFR-GOSISDBHSA-N 1 0 409.555 3.393 40 0 HGABRO O=C(C[NH+]1CCCC1)N1CC[C@@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 ZINC000019704984 569347839 /nfs/dbraw/zinc/34/78/39/569347839.db2.gz ZHMPCMUBQOVVKS-QGZVFWFLSA-N 1 0 422.508 3.121 40 0 HGABRO COc1ccccc1CNC(=O)c1cc([C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)n[nH]1 ZINC000019707788 569347983 /nfs/dbraw/zinc/34/79/83/569347983.db2.gz KRMFZNQKCMIXNR-GOSISDBHSA-N 1 0 408.477 3.477 40 0 HGABRO CC(C)[N@@H+]1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000015672026 291233067 /nfs/dbraw/zinc/23/30/67/291233067.db2.gz HIQGFUGTFBNEBR-FGZHOGPDSA-N 1 0 400.494 3.368 40 0 biogenic,in-vitro HGABRO COCCNC(=O)[C@@H]1Cc2cn(Cc3cc(C)on3)c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171916 291236833 /nfs/dbraw/zinc/23/68/33/291236833.db2.gz YBBGOAAXYAPTBI-SFTDATJTSA-N 1 0 424.545 3.350 40 0 biogenic,in-vitro HGABRO COC(=O)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2cnc3ccccc3c2)COC1 ZINC000096112741 291236304 /nfs/dbraw/zinc/23/63/04/291236304.db2.gz NEXUBVXUBWPOBQ-SFHVURJKSA-N 1 0 402.454 3.232 40 0 biogenic,in-vitro HGABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccc(C)cc4)CCN3C(C)(C)C2)cc1 ZINC000253401301 291240209 /nfs/dbraw/zinc/24/02/09/291240209.db2.gz MSLQUXBDKXZFBN-JOCHJYFZSA-N 1 0 407.558 3.424 40 0 biogenic,in-vitro HGABRO COc1ccc2c3c1O[C@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@](C)(C(C)(C)O)C2 ZINC000096316433 291240794 /nfs/dbraw/zinc/24/07/94/291240794.db2.gz AKBVQTSSRCUQMV-KYAHOTTCSA-N 1 0 411.542 3.077 40 0 biogenic,in-vitro HGABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(COc2ccccc2)on1)NCc1cccnc1 ZINC000015673605 291242988 /nfs/dbraw/zinc/24/29/88/291242988.db2.gz GUASAMPWIAKIBX-PMACEKPBSA-N 1 0 420.513 3.123 40 0 biogenic,in-vitro HGABRO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](CC2CCCCC2)C1)c1ccncc1 ZINC000004236227 291244647 /nfs/dbraw/zinc/24/46/47/291244647.db2.gz LPZGYHUFCMDGHM-AZUAARDMSA-N 1 0 406.530 3.495 40 0 biogenic,in-vitro HGABRO O[C@@H]1C[C@H](c2ccc(C(F)(F)F)nc2)[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000077261965 291245949 /nfs/dbraw/zinc/24/59/49/291245949.db2.gz PZTWUMGAGKLEAE-MUIFIZLQSA-N 1 0 420.353 3.487 40 0 biogenic,in-vitro HGABRO CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000012291199 132357965 /nfs/dbraw/zinc/35/79/65/132357965.db2.gz FHVGMZKYAJZXLQ-QHCPKHFHSA-N 1 0 412.505 3.142 40 0 HGABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COCCOc2ccc(F)cc2)CC1 ZINC000041690279 524734722 /nfs/dbraw/zinc/73/47/22/524734722.db2.gz JQLWPUMENJNDCR-HXUWFJFHSA-N 1 0 422.928 3.366 40 0 HGABRO COc1cc(C(=O)N2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000408613126 557531260 /nfs/dbraw/zinc/53/12/60/557531260.db2.gz XNLLIYMBBDXPEM-FQEVSTJZSA-N 1 0 410.514 3.375 40 0 HGABRO Cn1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCCN1C(=O)NC1CCCCC1 ZINC000005001591 557623868 /nfs/dbraw/zinc/62/38/68/557623868.db2.gz URMJFPBBJRRFSF-KRWDZBQOSA-N 1 0 406.600 3.182 40 0 HGABRO COc1ccc(NC(=O)c2cnc([C@@H]3CC[N@H+](Cc4cccnc4)C3)nc2C)cc1 ZINC000019759158 558275531 /nfs/dbraw/zinc/27/55/31/558275531.db2.gz DJZIYKYZVHFVCX-GOSISDBHSA-N 1 0 403.486 3.430 40 0 HGABRO Cc1ccc(NC(=O)CN2CC3(CC[NH+](C)CC3)Oc3ccccc3C2=O)cc1F ZINC000012142619 558334952 /nfs/dbraw/zinc/33/49/52/558334952.db2.gz JAMIRYSQCBAFHO-UHFFFAOYSA-N 1 0 411.477 3.072 40 0 HGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCO4)CC1)C[C@@H]2O ZINC000012329298 558383972 /nfs/dbraw/zinc/38/39/72/558383972.db2.gz YUPQQSBWLXTTIU-LEWJYISDSA-N 1 0 411.498 3.014 40 0 HGABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329335 558383999 /nfs/dbraw/zinc/38/39/99/558383999.db2.gz ZUOGIJIWJSTVCM-UXHICEINSA-N 1 0 411.498 3.150 40 0 HGABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000012329588 558384281 /nfs/dbraw/zinc/38/42/81/558384281.db2.gz YGGHHNMUCCCVAX-UXHICEINSA-N 1 0 405.441 3.358 40 0 HGABRO Cc1c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc2n1CC(N)=O ZINC000012364430 558387595 /nfs/dbraw/zinc/38/75/95/558387595.db2.gz LWTFBSFAFHDGCY-UHFFFAOYSA-N 1 0 410.562 3.050 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000020636719 558396133 /nfs/dbraw/zinc/39/61/33/558396133.db2.gz BTTVJVNEYUYKJL-RBUKOAKNSA-N 1 0 411.889 3.105 40 0 HGABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000013648005 558557383 /nfs/dbraw/zinc/55/73/83/558557383.db2.gz MAYUHDAQOCAUSB-UHFFFAOYSA-N 1 0 415.559 3.402 40 0 HGABRO OCC[NH+]1CCC(CO)(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000143115776 558673726 /nfs/dbraw/zinc/67/37/26/558673726.db2.gz JVDHJXANUQUVPF-UHFFFAOYSA-N 1 0 410.543 3.267 40 0 HGABRO COc1ccc(OC)c(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000015357213 558735597 /nfs/dbraw/zinc/73/55/97/558735597.db2.gz FDBCRBAZGDZUFN-UHFFFAOYSA-N 1 0 404.532 3.168 40 0 HGABRO CCOC(=O)c1sc(N2CC[NH2+]CC2)nc1-c1ccc(OC(F)(F)F)cc1 ZINC000016158352 558774074 /nfs/dbraw/zinc/77/40/74/558774074.db2.gz OXVDCXRGKWYZAL-UHFFFAOYSA-N 1 0 401.410 3.295 40 0 HGABRO C[C@H]1CCC[C@@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@@H]3C=C12 ZINC000036507693 558799993 /nfs/dbraw/zinc/79/99/93/558799993.db2.gz MQSZZIBOTGMDJA-XSNMQSCQSA-N 1 0 412.530 3.352 40 0 HGABRO Cc1nc2n(c(=O)c1C)CN(CCC[NH+](C)C)CN2c1cc(Cl)cc(Cl)c1 ZINC000038830204 558816540 /nfs/dbraw/zinc/81/65/40/558816540.db2.gz JCSPTZOGDOLTLP-UHFFFAOYSA-N 1 0 410.349 3.487 40 0 HGABRO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)cc1 ZINC000038831243 558816702 /nfs/dbraw/zinc/81/67/02/558816702.db2.gz XHEQFPXMCCOWJJ-UHFFFAOYSA-N 1 0 421.585 3.356 40 0 HGABRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1OC ZINC000019129189 558845191 /nfs/dbraw/zinc/84/51/91/558845191.db2.gz HEILMMFOMQKOKW-MRXNPFEDSA-N 1 0 411.506 3.025 40 0 HGABRO Cc1ccccc1-c1ncc(C[NH+]2CC3CCCC(C2)C3(O)c2nccn2C)cn1 ZINC000019237539 558856795 /nfs/dbraw/zinc/85/67/95/558856795.db2.gz JLFVCAHAMYSPCK-VXMMSVGHSA-N 1 0 403.530 3.305 40 0 HGABRO Cc1ccsc1C[NH+]1CCC(O)(Cn2cnc3sc(C)c(C)c3c2=O)CC1 ZINC000019238612 558857474 /nfs/dbraw/zinc/85/74/74/558857474.db2.gz SUHQJHGBBWZXFB-UHFFFAOYSA-N 1 0 403.573 3.472 40 0 HGABRO Cn1cc(C[NH+]2CCC([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)cn1 ZINC000019290645 558863077 /nfs/dbraw/zinc/86/30/77/558863077.db2.gz HCRBDQOGQAKXDQ-XMMPIXPASA-N 1 0 403.530 3.127 40 0 HGABRO FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)c1 ZINC000019293311 558865092 /nfs/dbraw/zinc/86/50/92/558865092.db2.gz AEMMKQMNTVMEPL-OAHLLOKOSA-N 1 0 403.412 3.061 40 0 HGABRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000019401464 558883603 /nfs/dbraw/zinc/88/36/03/558883603.db2.gz VKTVUTKMMNXJBY-QFIPXVFZSA-N 1 0 420.557 3.123 40 0 HGABRO COc1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)ccc1OC(C)C ZINC000019450780 558889064 /nfs/dbraw/zinc/88/90/64/558889064.db2.gz BWNXHDWLQWTTNZ-RJGXRXQPSA-N 1 0 410.558 3.345 40 0 HGABRO C[C@H](CC(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1)n1cccn1 ZINC000019455458 558891749 /nfs/dbraw/zinc/89/17/49/558891749.db2.gz HWCARXAILVJCAH-QGZVFWFLSA-N 1 0 424.524 3.155 40 0 HGABRO COc1ccc2c(c1)C(=O)N[C@@]1(CC[N@@H+]([C@@H](C)Cc3ccc(OC)c(OC)c3)C1)CC2 ZINC000019456765 558892130 /nfs/dbraw/zinc/89/21/30/558892130.db2.gz QTGUMDXHONAXJW-SSOJOUAXSA-N 1 0 424.541 3.464 40 0 HGABRO COc1ccc(NC(=O)c2cc(C3CC[NH+](C4CCOCC4)CC3)no2)c(OC)c1 ZINC000019552574 558916036 /nfs/dbraw/zinc/91/60/36/558916036.db2.gz OUQHXLGOECVFND-UHFFFAOYSA-N 1 0 415.490 3.303 40 0 HGABRO C[N@@H+]1CCCN(C(=O)c2cccc(-c3ccc(C[C@@H]4CCCNC4=O)cc3)c2)CC1 ZINC000072356304 558953023 /nfs/dbraw/zinc/95/30/23/558953023.db2.gz XGHHOZWNEQLDDY-QFIPXVFZSA-N 1 0 405.542 3.200 40 0 HGABRO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000019687482 558957375 /nfs/dbraw/zinc/95/73/75/558957375.db2.gz CITUYJCQHMNXLW-GOSISDBHSA-N 1 0 411.525 3.151 40 0 HGABRO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@@H+]3Cc3cn(C)nc3C)c2)cn1 ZINC000019691059 558960469 /nfs/dbraw/zinc/96/04/69/558960469.db2.gz SYMBLVZXJXJCIS-JOCHJYFZSA-N 1 0 404.518 3.191 40 0 HGABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)CCCc1ccccc1)C2 ZINC000019707910 558969923 /nfs/dbraw/zinc/96/99/23/558969923.db2.gz AXIDJEVTPLQJAN-LJQANCHMSA-N 1 0 407.562 3.235 40 0 HGABRO Cc1nc([C@@H]2CCCN2C(=O)C[NH+]2CCCC2)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019709341 558971471 /nfs/dbraw/zinc/97/14/71/558971471.db2.gz RTENBSYVXHYSOW-QFIPXVFZSA-N 1 0 424.520 3.218 40 0 HGABRO CCc1cc2c(ncn(CC(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)c2=O)s1 ZINC000019714821 558975161 /nfs/dbraw/zinc/97/51/61/558975161.db2.gz SIWFNEHDZOMPOW-UHFFFAOYSA-N 1 0 424.570 3.143 40 0 HGABRO COc1cccc(C[NH+]2CCC(O)(Cn3ncc4ccc(NC(C)=O)cc43)CC2)c1 ZINC000072397194 558975676 /nfs/dbraw/zinc/97/56/76/558975676.db2.gz QQPZOKIYRNFQMA-UHFFFAOYSA-N 1 0 408.502 3.030 40 0 HGABRO Cc1cc(C[N@@H+]2CCC[C@]3(CCCN3C(=O)COc3ccccc3C)CC2)n(C)n1 ZINC000585100112 559023779 /nfs/dbraw/zinc/02/37/79/559023779.db2.gz FVJDDEWACKOBFN-DEOSSOPVSA-N 1 0 410.562 3.463 40 0 HGABRO COCC[N@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1sc(C)nc1C)CC2)C(C)C ZINC000585105123 559027608 /nfs/dbraw/zinc/02/76/08/559027608.db2.gz YSDZMDFVZBNLRH-GOSISDBHSA-N 1 0 409.596 3.128 40 0 HGABRO O=C(Cc1ccccn1)N1CCC2(C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000585113451 559031202 /nfs/dbraw/zinc/03/12/02/559031202.db2.gz IZIJXUGNGWMVOB-RUZDIDTESA-N 1 0 405.542 3.155 40 0 HGABRO CCCN1CCN(C(=O)CC[NH3+])C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O ZINC000585183557 559070271 /nfs/dbraw/zinc/07/02/71/559070271.db2.gz ADBNMFYTKSBMOE-HXUWFJFHSA-N 1 0 411.521 3.081 40 0 HGABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052815 559092509 /nfs/dbraw/zinc/09/25/09/559092509.db2.gz QTVFLOQYCBZKDN-HXUWFJFHSA-N 1 0 405.542 3.352 40 0 HGABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccncc1)CCC2 ZINC000096056085 559093966 /nfs/dbraw/zinc/09/39/66/559093966.db2.gz XHDYNLUDZZQYED-URXFXBBRSA-N 1 0 408.546 3.062 40 0 HGABRO CCN1CC[C@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2ccc(C)cc2)CC3)C1=O ZINC000096144325 559096636 /nfs/dbraw/zinc/09/66/36/559096636.db2.gz FEXZXRCDCKTUAE-VWLOTQADSA-N 1 0 411.590 3.428 40 0 HGABRO O=C(NCc1cccnc1)c1ccc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000096156152 559100273 /nfs/dbraw/zinc/10/02/73/559100273.db2.gz YYGFYJWSTMDCIC-FQEVSTJZSA-N 1 0 412.497 3.044 40 0 HGABRO CCC(CC)NC(=O)c1ccc2nnc([C@@H]3C[N@H+](CC4CC4)CCN3C(C)C)n2c1 ZINC000096156821 559100700 /nfs/dbraw/zinc/10/07/00/559100700.db2.gz DPONANJIXYGCGG-FQEVSTJZSA-N 1 0 412.582 3.125 40 0 HGABRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21 ZINC000096242219 559103865 /nfs/dbraw/zinc/10/38/65/559103865.db2.gz XCWJLXFWFRORNS-OAQYLSRUSA-N 1 0 419.569 3.416 40 0 HGABRO CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)Nc4ccc(Cl)cc4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096262425 559106539 /nfs/dbraw/zinc/10/65/39/559106539.db2.gz IZQAKPQCVHMBNW-PGRDOPGGSA-N 1 0 418.969 3.384 40 0 HGABRO COc1ccc(CCN2C[C@H]3CC[N@H+](Cc4ccccc4)CC[C@H]3S2(=O)=O)cc1 ZINC000096263739 559107305 /nfs/dbraw/zinc/10/73/05/559107305.db2.gz WGTMTXCCWKZFPQ-FYYLOGMGSA-N 1 0 414.571 3.164 40 0 HGABRO C[C@]1(O)CN(C(=O)c2cccc(OCC[NH+]3CCCC3)c2)CC[C@@H]1Oc1ccccc1 ZINC000585262221 559110555 /nfs/dbraw/zinc/11/05/55/559110555.db2.gz GRKWYZOVVXNKTJ-ZCYQVOJMSA-N 1 0 424.541 3.206 40 0 HGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287807 559123112 /nfs/dbraw/zinc/12/31/12/559123112.db2.gz SEVNESIAQBTRKE-YFXJRYMSSA-N 1 0 409.542 3.235 40 0 HGABRO CC[NH+](CC)CCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NCC(C)C ZINC000004134176 560600823 /nfs/dbraw/zinc/60/08/23/560600823.db2.gz GXVYBAXZLYOHND-UHFFFAOYSA-N 1 0 418.607 3.211 40 0 HGABRO O=C(C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)NCc1ccccc1 ZINC000004895223 560611101 /nfs/dbraw/zinc/61/11/01/560611101.db2.gz YNANTCAXVDJYQY-UHFFFAOYSA-N 1 0 417.435 3.403 40 0 HGABRO O=C(NCc1ccncc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408879312 560649226 /nfs/dbraw/zinc/64/92/26/560649226.db2.gz DBBQNNGBJUAVMA-UHFFFAOYSA-N 1 0 400.526 3.329 40 0 HGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409058593 560670805 /nfs/dbraw/zinc/67/08/05/560670805.db2.gz TTZURWNJSDDGEE-WFZBXURCSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409060442 560671088 /nfs/dbraw/zinc/67/10/88/560671088.db2.gz VEUWPXRMHZBIRG-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409415189 560723475 /nfs/dbraw/zinc/72/34/75/560723475.db2.gz WJXXWLHUWHORMV-BUIJDSLFSA-N 1 0 423.557 3.050 40 0 HGABRO Cc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020140657 560881408 /nfs/dbraw/zinc/88/14/08/560881408.db2.gz DRYWWSNSECVKDS-PKTZIBPZSA-N 1 0 424.593 3.200 40 0 HGABRO CC(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3ccccc3C(F)(F)F)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382115 568489425 /nfs/dbraw/zinc/48/94/25/568489425.db2.gz FGOSTAYPSCONIB-HNBVOPMISA-N 1 0 423.479 3.309 40 0 biogenic,in-vitro HGABRO Cc1cc(C)cc(N(CCCC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)c1 ZINC000222874723 568529246 /nfs/dbraw/zinc/52/92/46/568529246.db2.gz AYHZYZPUBDQARQ-UHFFFAOYSA-N 1 0 423.623 3.232 40 0 HGABRO COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1C ZINC000223222716 568541527 /nfs/dbraw/zinc/54/15/27/568541527.db2.gz CWQPCVQWJQXCKH-NHCUHLMSSA-N 1 0 415.607 3.071 40 0 HGABRO COc1cc2c(cc1S(=O)(=O)Nc1ccc(N3CC[NH+](C)CC3)cc1)CCCC2 ZINC000223330546 568545488 /nfs/dbraw/zinc/54/54/88/568545488.db2.gz BVFPHJXNUVRYHK-UHFFFAOYSA-N 1 0 415.559 3.127 40 0 HGABRO CN(c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1)S(=O)(=O)c1cccs1 ZINC000224184472 568572904 /nfs/dbraw/zinc/57/29/04/568572904.db2.gz ACVJCCSHHZNKFD-UHFFFAOYSA-N 1 0 421.588 3.179 40 0 HGABRO CN(c1cccc(C(=O)NCCC[NH+]2CCCCC2)c1)S(=O)(=O)c1ccccc1 ZINC000224254420 568575478 /nfs/dbraw/zinc/57/54/78/568575478.db2.gz YVQZLCWMPLKFKD-UHFFFAOYSA-N 1 0 415.559 3.118 40 0 HGABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCc4ccccc4)nc23)cn1 ZINC000247868307 568745866 /nfs/dbraw/zinc/74/58/66/568745866.db2.gz BZOQCHSYIMOUAP-DEOSSOPVSA-N 1 0 417.513 3.166 40 0 HGABRO CCN(CC)S(=O)(=O)N1CCC(c2cc(Nc3ccccn3)cc(C)[nH+]2)CC1 ZINC000257214549 568780460 /nfs/dbraw/zinc/78/04/60/568780460.db2.gz CMKDGRIKPIKUBM-UHFFFAOYSA-N 1 0 403.552 3.295 40 0 HGABRO CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)C[NH+]1CCCC1 ZINC000257285370 568799955 /nfs/dbraw/zinc/79/99/55/568799955.db2.gz PGTJXFHSXLDYMB-ACUMWEPGSA-N 1 0 409.574 3.084 40 0 HGABRO CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC[NH2+]2)nc(C2CC2)n1 ZINC000257343039 568816969 /nfs/dbraw/zinc/81/69/69/568816969.db2.gz ZRFGVPVQNXNKHL-RBUKOAKNSA-N 1 0 404.518 3.029 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218565334 568881901 /nfs/dbraw/zinc/88/19/01/568881901.db2.gz FCGSADDHOIRCQG-RZUBCFFCSA-N 1 0 401.528 3.005 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218587479 568882633 /nfs/dbraw/zinc/88/26/33/568882633.db2.gz OMBKGVQRHQKMII-HBFSDRIKSA-N 1 0 407.919 3.096 40 0 HGABRO COc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccnc4OC)C2)OC3)cc1 ZINC000306123076 568886419 /nfs/dbraw/zinc/88/64/19/568886419.db2.gz ADZJUISSVYPBIX-HSZRJFAPSA-N 1 0 406.486 3.137 40 0 HGABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4cccc(C)c4)C[C@@H]2C3)cc1 ZINC000306128029 568890673 /nfs/dbraw/zinc/89/06/73/568890673.db2.gz GOFMJAADXKARMN-RBUKOAKNSA-N 1 0 417.513 3.152 40 0 HGABRO CN(C)c1cccc(C(=O)N2CCO[C@@]3(CCCC[C@H]3[NH2+]Cc3cccnc3)C2)c1 ZINC000306128750 568891470 /nfs/dbraw/zinc/89/14/70/568891470.db2.gz HJMUWFBUXRTCGW-VWNXMTODSA-N 1 0 408.546 3.091 40 0 HGABRO Cc1ncsc1C[NH+]1CCC2(CC1)CN(C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306133601 568895672 /nfs/dbraw/zinc/89/56/72/568895672.db2.gz MQOVKYVZBWQWTI-UHFFFAOYSA-N 1 0 412.538 3.286 40 0 HGABRO O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000306136147 568897970 /nfs/dbraw/zinc/89/79/70/568897970.db2.gz PKVKRGJXFZJDCE-UHFFFAOYSA-N 1 0 411.525 3.318 40 0 HGABRO Cc1cccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)n1 ZINC000306136945 568899013 /nfs/dbraw/zinc/89/90/13/568899013.db2.gz QHECZGXJEKIDMM-XUZZJYLKSA-N 1 0 407.562 3.396 40 0 HGABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccc(F)c3)C[C@H]1C2 ZINC000306141263 568902813 /nfs/dbraw/zinc/90/28/13/568902813.db2.gz VQFYQXBJXIYXFF-CVEARBPZSA-N 1 0 409.440 3.113 40 0 HGABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4ccc(C)s4)C[C@@H]2C3)cc1 ZINC000306142679 568904229 /nfs/dbraw/zinc/90/42/29/568904229.db2.gz XGGQXCZGKZNZGJ-HOTGVXAUSA-N 1 0 423.542 3.213 40 0 HGABRO CC(C)(C)OC(=O)N1CC[NH2+][C@]2(C1)CCCN(C(=O)OCc1ccccc1)CC2 ZINC000306145613 568906544 /nfs/dbraw/zinc/90/65/44/568906544.db2.gz KMSUUURLBMUGNO-JOCHJYFZSA-N 1 0 403.523 3.388 40 0 HGABRO Cc1ccc(Nc2cc(C3CC3)nc(NCCC[NH+](C)C)n2)c(Br)c1 ZINC000329068742 568975663 /nfs/dbraw/zinc/97/56/63/568975663.db2.gz YSKRWDLXCLNUIV-UHFFFAOYSA-N 1 0 404.356 3.376 40 0 HGABRO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCC(C)CC2)CC3)C1 ZINC000248106447 569316180 /nfs/dbraw/zinc/31/61/80/569316180.db2.gz LRJJRJGCDCTXNE-OXQNKTCESA-N 1 0 412.578 3.481 40 0 HGABRO C[N@@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC000248090256 569316218 /nfs/dbraw/zinc/31/62/18/569316218.db2.gz CAJYOPVPQBDRQG-RXVVDRJESA-N 1 0 410.493 3.032 40 0 HGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3C[C@H]3C)[nH]c(=O)c2C1 ZINC000253599079 569318448 /nfs/dbraw/zinc/31/84/48/569318448.db2.gz KPUFZVQSVZKBBN-VKJFTORMSA-N 1 0 412.559 3.430 40 0 HGABRO CN(c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1)S(C)(=O)=O ZINC000009063507 569342482 /nfs/dbraw/zinc/34/24/82/569342482.db2.gz PURRERZHSHFOEF-UHFFFAOYSA-N 1 0 419.522 3.072 40 0 HGABRO Cc1ccc([C@H](C)C(=O)N2CCC(c3nc(C[NH+](C)C)cc(N(C)C)n3)CC2)cc1 ZINC000019710164 569348154 /nfs/dbraw/zinc/34/81/54/569348154.db2.gz WHDJTXSAUKEYEP-SFHVURJKSA-N 1 0 409.578 3.422 40 0 HGABRO [NH3+][C@H](C(=O)NCC1CCC(c2ccnc(Nc3cncnc3)n2)CC1)c1ccccc1 ZINC000072379938 569352506 /nfs/dbraw/zinc/35/25/06/569352506.db2.gz DDQOCAOLNDFPTE-BPZDKFOGSA-N 1 0 417.517 3.100 40 0 HGABRO O=C(Nc1ccccc1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000008298311 571037466 /nfs/dbraw/zinc/03/74/66/571037466.db2.gz PNVBBIITXLYMQC-AAIMPIBUSA-N 1 0 417.513 3.206 40 0 biogenic,in-vitro HGABRO CC(C)c1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@H](C)CO)[nH+]1 ZINC000329026211 571306434 /nfs/dbraw/zinc/30/64/34/571306434.db2.gz PKRIFHRLLMLSCW-CYBMUJFWSA-N 1 0 410.440 3.854 40 0 HGABRO COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)NCc3cccnc3)no2)cc1 ZINC000008623728 291239028 /nfs/dbraw/zinc/23/90/28/291239028.db2.gz NISIZRFSDRQIPP-PMACEKPBSA-N 1 0 420.513 3.220 40 0 biogenic,in-vitro HGABRO Cc1nc(-c2ccccc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3C[NH2+]C2CCN(C)CC2)n1 ZINC000022936328 291242357 /nfs/dbraw/zinc/24/23/57/291242357.db2.gz MUJQNNQSCZBRDF-WWNPGLIZSA-N 1 0 405.590 3.314 40 0 biogenic,in-vitro HGABRO COc1ccccc1CN(C(=O)c1ccc(N2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC000019660228 132468566 /nfs/dbraw/zinc/46/85/66/132468566.db2.gz NMUXYCLZJYNTQO-UHFFFAOYSA-N 1 0 423.557 3.268 40 0 HGABRO Cc1sc2ncnc(N3CCC(C(=O)NC[C@H](C(C)C)[NH+](C)C)CC3)c2c1C ZINC000019716436 132469317 /nfs/dbraw/zinc/46/93/17/132469317.db2.gz OHWSPADFCHOWCO-QGZVFWFLSA-N 1 0 403.596 3.227 40 0 HGABRO Cc1ccc(N(C[C@@H](O)C[NH+]2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000000787217 557080723 /nfs/dbraw/zinc/08/07/23/557080723.db2.gz VMXFBFCOTLUTJQ-NRFANRHFSA-N 1 0 402.560 3.283 40 0 HGABRO Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000007924937 557767685 /nfs/dbraw/zinc/76/76/85/557767685.db2.gz QSCKCKRGEKLXPG-UHFFFAOYSA-N 1 0 421.607 3.021 40 0 HGABRO Cc1ccc(C)c(N(CCCC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)c1 ZINC000010541014 558258717 /nfs/dbraw/zinc/25/87/17/558258717.db2.gz IQLBISSGVUAHOQ-UHFFFAOYSA-N 1 0 423.623 3.088 40 0 HGABRO Cc1c(C[NH+]2CCC(c3nc(C)c4c(n3)N(CC(C)C)C(=O)CC4)CC2)cnn1C ZINC000019739474 558260558 /nfs/dbraw/zinc/26/05/58/558260558.db2.gz GSLJBDSCNUXHCU-UHFFFAOYSA-N 1 0 410.566 3.142 40 0 HGABRO O=C(Cc1ccccc1)N1CCC(CC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000019748238 558267484 /nfs/dbraw/zinc/26/74/84/558267484.db2.gz GURWGZYBESUSPR-QHCPKHFHSA-N 1 0 411.590 3.335 40 0 HGABRO COc1ccccc1NC(=O)c1ccc(C2CC[NH+](Cc3ccnn3C)CC2)nc1N ZINC000019766015 558278352 /nfs/dbraw/zinc/27/83/52/558278352.db2.gz MWOASURGAAEIKC-UHFFFAOYSA-N 1 0 420.517 3.038 40 0 HGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000020039262 558325576 /nfs/dbraw/zinc/32/55/76/558325576.db2.gz BDNQPDDFHGLAHJ-HNNXBMFYSA-N 1 0 401.960 3.096 40 0 HGABRO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+](Cc4ccc(OC)c(OC)c4)[C@H]3C2)cc1 ZINC000012188385 558347452 /nfs/dbraw/zinc/34/74/52/558347452.db2.gz CFTLUCCBCICHDU-CTNGQTDRSA-N 1 0 410.514 3.449 40 0 HGABRO [NH2+]=C(NC1=N[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1)Nc1ccccc1 ZINC000022607380 558500888 /nfs/dbraw/zinc/50/08/88/558500888.db2.gz ZFZFMFJFVJUTPE-CQSZACIVSA-N 1 0 402.817 3.139 40 0 HGABRO C[C@H](C(=O)NCCC[NH+]1CCCCCC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000013670171 558561713 /nfs/dbraw/zinc/56/17/13/558561713.db2.gz FLEDTDDXXJYLCJ-QGZVFWFLSA-N 1 0 415.559 3.119 40 0 HGABRO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)cc1 ZINC000013674708 558563869 /nfs/dbraw/zinc/56/38/69/558563869.db2.gz ICDOBGQJXJCMHG-UHFFFAOYSA-N 1 0 415.559 3.402 40 0 HGABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)c1 ZINC000039752919 558687059 /nfs/dbraw/zinc/68/70/59/558687059.db2.gz DJDUCTXHZDHWTP-UHFFFAOYSA-N 1 0 421.541 3.318 40 0 HGABRO COc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCc1ccccc1Cl ZINC000016363667 558788456 /nfs/dbraw/zinc/78/84/56/558788456.db2.gz CTJFFEDEYDIZET-UHFFFAOYSA-N 1 0 419.938 3.333 40 0 HGABRO Cc1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)on1 ZINC000019120422 558842919 /nfs/dbraw/zinc/84/29/19/558842919.db2.gz VQJAQLOZIVHVNT-FGZHOGPDSA-N 1 0 421.472 3.369 40 0 HGABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@H](C)[NH+]3CCCCC3)C1)N2 ZINC000019127280 558844715 /nfs/dbraw/zinc/84/47/15/558844715.db2.gz CRIDRIBBLXSDEO-XWTMOSNGSA-N 1 0 409.525 3.295 40 0 HGABRO Cc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1CN1CC[NH+](C)CC1 ZINC000019286755 558860580 /nfs/dbraw/zinc/86/05/80/558860580.db2.gz YHYSWUOXAFNJOJ-SFHVURJKSA-N 1 0 405.546 3.367 40 0 HGABRO COc1ccccc1-c1ccccc1C[C@@H]1C[N@H+](Cc2cnc(C)nc2)CCNC1=O ZINC000019287238 558860860 /nfs/dbraw/zinc/86/08/60/558860860.db2.gz JFZXEWJAGVNRSL-OAQYLSRUSA-N 1 0 416.525 3.251 40 0 HGABRO OC1(c2ccccc2F)CC[NH+](Cc2ccccc2OCCN2CCOCC2)CC1 ZINC000019348857 558874537 /nfs/dbraw/zinc/87/45/37/558874537.db2.gz IEJIRAABOITABH-UHFFFAOYSA-N 1 0 414.521 3.020 40 0 HGABRO O=C(NC1CCC(O)CC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372521 558879888 /nfs/dbraw/zinc/87/98/88/558879888.db2.gz CPORERBKTMTMLM-BWWMBTDCSA-N 1 0 424.516 3.176 40 0 HGABRO CC(C)[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)Cc4ccccc4)CC3)n2)C1 ZINC000019447930 558886661 /nfs/dbraw/zinc/88/66/61/558886661.db2.gz OZAKETUIVUDSGL-OAQYLSRUSA-N 1 0 422.573 3.306 40 0 HGABRO C[C@H](CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1)[NH+]1CCN(C)CC1 ZINC000019455586 558891913 /nfs/dbraw/zinc/89/19/13/558891913.db2.gz BGEWVEZQVKTWKK-VGSWGCGISA-N 1 0 400.954 3.357 40 0 HGABRO C[C@@]1(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000019460861 558893594 /nfs/dbraw/zinc/89/35/94/558893594.db2.gz FHUNESBEZKITGA-QFIPXVFZSA-N 1 0 412.921 3.399 40 0 HGABRO CCC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000019499337 558897590 /nfs/dbraw/zinc/89/75/90/558897590.db2.gz JXOWJKPNXFLDAC-SFTDATJTSA-N 1 0 410.514 3.419 40 0 HGABRO CCOc1cc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531908 558912197 /nfs/dbraw/zinc/91/21/97/558912197.db2.gz DJQCRVSTTDXOAY-SFHVURJKSA-N 1 0 406.486 3.229 40 0 HGABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CCC4)[nH]c(=O)c3C2)cc1 ZINC000019555499 558918299 /nfs/dbraw/zinc/91/82/99/558918299.db2.gz SYNMDAHUMQXENZ-OAQYLSRUSA-N 1 0 422.529 3.213 40 0 HGABRO Cc1cc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)cc(C)c1O ZINC000019570017 558928946 /nfs/dbraw/zinc/92/89/46/558928946.db2.gz KQNGZJRHTBITBB-HSZRJFAPSA-N 1 0 406.530 3.146 40 0 HGABRO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 ZINC000072334892 558935755 /nfs/dbraw/zinc/93/57/55/558935755.db2.gz FCGPSUBELNDWPR-AWEZNQCLSA-N 1 0 400.548 3.078 40 0 HGABRO COc1ccccc1[C@@H](C[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12)N(C)C ZINC000019581506 558936886 /nfs/dbraw/zinc/93/68/86/558936886.db2.gz SXAIIJMYPLEQOL-OAQYLSRUSA-N 1 0 402.502 3.192 40 0 HGABRO COCc1ccc(C[NH+]2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)o1 ZINC000072337257 558937614 /nfs/dbraw/zinc/93/76/14/558937614.db2.gz FHHZJEPQQFIVAI-UHFFFAOYSA-N 1 0 400.523 3.049 40 0 HGABRO C[NH+](C)CCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000072340122 558938858 /nfs/dbraw/zinc/93/88/58/558938858.db2.gz ABFRHMKWOFHEMB-UHFFFAOYSA-N 1 0 406.509 3.210 40 0 HGABRO C[N@@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(C(=O)c2ccncc2)CC1 ZINC000019587619 558939834 /nfs/dbraw/zinc/93/98/34/558939834.db2.gz RRGQNNGSPXJTOA-GHTZIAJQSA-N 1 0 410.493 3.032 40 0 HGABRO C[NH+]1CCN(c2cc(C(=O)N3CCC(c4noc5cc(F)ccc54)CC3)ccn2)CC1 ZINC000019590088 558940649 /nfs/dbraw/zinc/94/06/49/558940649.db2.gz XXBOHOHYRXMQOC-UHFFFAOYSA-N 1 0 423.492 3.134 40 0 HGABRO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019591329 558941625 /nfs/dbraw/zinc/94/16/25/558941625.db2.gz MGMKWPYONXMYTF-DEOSSOPVSA-N 1 0 401.514 3.110 40 0 HGABRO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019591339 558941969 /nfs/dbraw/zinc/94/19/69/558941969.db2.gz BJLYOQXRZHXHBN-DEOSSOPVSA-N 1 0 401.514 3.110 40 0 HGABRO COCCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 ZINC000019593790 558944796 /nfs/dbraw/zinc/94/47/96/558944796.db2.gz GZBCQQYHBBNARY-YTQUADARSA-N 1 0 421.492 3.206 40 0 HGABRO COCc1ccc(OC)c(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)c1 ZINC000019594352 558945357 /nfs/dbraw/zinc/94/53/57/558945357.db2.gz ZFIMJSNASFBZKU-QGZVFWFLSA-N 1 0 413.547 3.469 40 0 HGABRO Cc1cn2c(ncc(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)c2=O)s1 ZINC000019660218 558951426 /nfs/dbraw/zinc/95/14/26/558951426.db2.gz CZTQEMAKHFTTDP-UHFFFAOYSA-N 1 0 410.543 3.370 40 0 HGABRO CN(Cc1ccccc1N1CCOCC1)C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000019661250 558952379 /nfs/dbraw/zinc/95/23/79/558952379.db2.gz VZZOCSKEWUFWPH-UHFFFAOYSA-N 1 0 407.558 3.361 40 0 HGABRO COc1cccc(OCCc2cc([C@@H]3CC[N@H+](Cc4cccnc4N(C)C)C3)[nH]n2)c1 ZINC000072371742 558959160 /nfs/dbraw/zinc/95/91/60/558959160.db2.gz DXGRGVIJGGCCDJ-GOSISDBHSA-N 1 0 421.545 3.490 40 0 HGABRO COc1cccc(CN2CC=CC[C@H](C3CC[NH+](Cc4ccnn4C)CC3)C2=O)c1 ZINC000019698538 558966234 /nfs/dbraw/zinc/96/62/34/558966234.db2.gz KYZMNXLBBABEGK-HSZRJFAPSA-N 1 0 408.546 3.246 40 0 HGABRO C[C@H]1C[C@H]1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)C[N@H+](CC2CCCCC2)CC3)CC1 ZINC000072398737 558976143 /nfs/dbraw/zinc/97/61/43/558976143.db2.gz DJNQQKJQDPXHIO-QFBILLFUSA-N 1 0 412.578 3.070 40 0 HGABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)cc1 ZINC000585103471 559026620 /nfs/dbraw/zinc/02/66/20/559026620.db2.gz GLBISVXFEJOGIG-YPAWHYETSA-N 1 0 400.563 3.242 40 0 HGABRO O=C(c1ccnc(F)c1)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC000585103544 559026629 /nfs/dbraw/zinc/02/66/29/559026629.db2.gz XRXRYEZBGXOSON-ZJSXRUAMSA-N 1 0 424.520 3.007 40 0 HGABRO C[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCN(S(=O)(=O)Cc2ccccc2)CC3)C1 ZINC000585104250 559026853 /nfs/dbraw/zinc/02/68/53/559026853.db2.gz OSIPRLPMLDMORB-FPOVZHCZSA-N 1 0 406.592 3.119 40 0 HGABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000585106341 559028711 /nfs/dbraw/zinc/02/87/11/559028711.db2.gz XPEWNPHHBSSJNT-QRQLOZEOSA-N 1 0 417.981 3.110 40 0 HGABRO COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](C[N@@H+]3C[C@H](C)c3ccccc3)C2)c1 ZINC000585107933 559029727 /nfs/dbraw/zinc/02/97/27/559029727.db2.gz GQDSFXBAETZEBS-LRXVAGHRSA-N 1 0 400.544 3.194 40 0 HGABRO COc1cc(F)ccc1C(=O)N1CCc2ncc(-c3cccc4c3C[N@H+](C)C4)n2CC1 ZINC000585111403 559030471 /nfs/dbraw/zinc/03/04/71/559030471.db2.gz SIBHMALFINGULF-UHFFFAOYSA-N 1 0 420.488 3.342 40 0 HGABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccsc1)CC3 ZINC000096036324 559089946 /nfs/dbraw/zinc/08/99/46/559089946.db2.gz LSMYNQYEOOCIMT-WMZHIEFXSA-N 1 0 415.603 3.325 40 0 HGABRO CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(C)s3)CC2)O1 ZINC000096036870 559090688 /nfs/dbraw/zinc/09/06/88/559090688.db2.gz KGTKTHULXQLWIN-GOSISDBHSA-N 1 0 402.564 3.012 40 0 HGABRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21 ZINC000096052884 559092609 /nfs/dbraw/zinc/09/26/09/559092609.db2.gz LAWFNRMFYPRDNT-IBGZPJMESA-N 1 0 409.530 3.009 40 0 HGABRO CN1CCN(C(=O)C[C@@H]2CC3(CC[NH+](Cc4cccnc4)CC3)c3ccccc32)CC1 ZINC000096052943 559092696 /nfs/dbraw/zinc/09/26/96/559092696.db2.gz RJDOUYJJISJQQG-JOCHJYFZSA-N 1 0 418.585 3.267 40 0 HGABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccccn1)CCC2 ZINC000096056083 559093950 /nfs/dbraw/zinc/09/39/50/559093950.db2.gz FZTCTXUCQKITSW-RDPSFJRHSA-N 1 0 408.546 3.062 40 0 HGABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1nccs1)CCC2 ZINC000096056078 559094030 /nfs/dbraw/zinc/09/40/30/559094030.db2.gz AMOZKYVHUSCAMB-AVRDEDQJSA-N 1 0 414.575 3.124 40 0 HGABRO O=C1NCCN(Cc2ccccc2)C12CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000096077195 559094569 /nfs/dbraw/zinc/09/45/69/559094569.db2.gz SBUKBPPWGVHKRO-UHFFFAOYSA-N 1 0 401.913 3.446 40 0 HGABRO Cc1cccc(C[NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)c1 ZINC000096145096 559096995 /nfs/dbraw/zinc/09/69/95/559096995.db2.gz FTQFUCUWMRDIHC-UHFFFAOYSA-N 1 0 400.544 3.290 40 0 HGABRO Cc1nc(-c2cc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c3ccccn23)cn1-c1ccccn1 ZINC000096154976 559099301 /nfs/dbraw/zinc/09/93/01/559099301.db2.gz LDTAULXXKZEKIB-GOSISDBHSA-N 1 0 414.513 3.272 40 0 HGABRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(S(=O)(=O)c4cccc(F)c4)C3)C2)n1 ZINC000096216220 559101774 /nfs/dbraw/zinc/10/17/74/559101774.db2.gz NSIASIFOYNHOHM-OAQYLSRUSA-N 1 0 403.523 3.206 40 0 HGABRO C[N@@H+]1CC[C@@]2(C(=O)N3CCCC3)CCN(C(=O)Nc3ccc(Cl)cc3)CC[C@@H]12 ZINC000096263630 559107201 /nfs/dbraw/zinc/10/72/01/559107201.db2.gz BKNOGZBPSITGQG-WIYYLYMNSA-N 1 0 404.942 3.281 40 0 HGABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269633 559115328 /nfs/dbraw/zinc/11/53/28/559115328.db2.gz DRTISZXPVMHAJE-HSZRJFAPSA-N 1 0 402.510 3.112 40 0 HGABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](CC(=O)NCc3cccc(F)c3)CC2)c(C)c1 ZINC000585272434 559117954 /nfs/dbraw/zinc/11/79/54/559117954.db2.gz ITLIASLVQGIYGD-XMMPIXPASA-N 1 0 414.521 3.355 40 0 HGABRO Cc1ccccc1OC[C@@]1(O)COCC[N@H+](C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)C1 ZINC000585287605 559123193 /nfs/dbraw/zinc/12/31/93/559123193.db2.gz PLEPWSABVDIVHH-ZTCOLXNVSA-N 1 0 405.579 3.405 40 0 HGABRO O=S(=O)(c1ccc2ccccc2c1)N(C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000005023383 560623718 /nfs/dbraw/zinc/62/37/18/560623718.db2.gz XVHAYCWRZDGZFG-JOCHJYFZSA-N 1 0 410.539 3.492 40 0 HGABRO Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409052398 560669528 /nfs/dbraw/zinc/66/95/28/560669528.db2.gz DOUKIGIQNHZFPB-NXTBZVMJSA-O 1 0 402.449 3.150 40 0 HGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409059608 560670983 /nfs/dbraw/zinc/67/09/83/560670983.db2.gz SMHAFNGUVCRNNG-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409059905 560671043 /nfs/dbraw/zinc/67/10/43/560671043.db2.gz YKNAWCUOBNXHSF-MAEDJNRBSA-O 1 0 422.867 3.495 40 0 HGABRO Cc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409061577 560671751 /nfs/dbraw/zinc/67/17/51/560671751.db2.gz FXJSUONEGDLKHO-WSBKAMHLSA-O 1 0 416.476 3.459 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409061242 560672791 /nfs/dbraw/zinc/67/27/91/560672791.db2.gz YKQRUXYMWNLIAA-LADMSCKDSA-O 1 0 404.877 3.356 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409071083 560673284 /nfs/dbraw/zinc/67/32/84/560673284.db2.gz OINGYPGZOSFFRG-MAEDJNRBSA-O 1 0 422.867 3.495 40 0 HGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000409073963 560673688 /nfs/dbraw/zinc/67/36/88/560673688.db2.gz UZWYXSNHSFOKSA-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000409073964 560673691 /nfs/dbraw/zinc/67/36/91/560673691.db2.gz UZWYXSNHSFOKSA-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007365364 560750584 /nfs/dbraw/zinc/75/05/84/560750584.db2.gz RKCMTQUERLRGHX-UHFFFAOYSA-N 1 0 416.485 3.243 40 0 HGABRO COc1ccc2nc(C[N@H+](CCCN3CCOCC3)Cc3cccnc3)ccc2c1 ZINC000013569054 560814196 /nfs/dbraw/zinc/81/41/96/560814196.db2.gz VAVWIGCCZAEOGW-UHFFFAOYSA-N 1 0 406.530 3.363 40 0 HGABRO c1ccc(Cn2nnnc2[C@H](c2cccnc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019363510 560872800 /nfs/dbraw/zinc/87/28/00/560872800.db2.gz PQYHSKFDBZABDY-QHCPKHFHSA-N 1 0 417.561 3.156 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 ZINC000223212675 568541172 /nfs/dbraw/zinc/54/11/72/568541172.db2.gz JNNWRZLVDBMYOS-NHCUHLMSSA-N 1 0 406.559 3.192 40 0 HGABRO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)CC1 ZINC000223668527 568555653 /nfs/dbraw/zinc/55/56/53/568555653.db2.gz ZGRKEAFUBOXKRL-UHFFFAOYSA-N 1 0 415.559 3.343 40 0 HGABRO Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224668251 568591571 /nfs/dbraw/zinc/59/15/71/568591571.db2.gz ZCYVYTDRJFIOSN-UHFFFAOYSA-N 1 0 415.559 3.282 40 0 HGABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccnc(N4CCCCC4)n3)C[C@H]2c2ccccc2)N1 ZINC000257205378 568777718 /nfs/dbraw/zinc/77/77/18/568777718.db2.gz AYTTYCDPDBEYBS-WIOPSUGQSA-N 1 0 419.573 3.495 40 0 HGABRO COc1c(C)cccc1C[N@@H+]1CCC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000257243401 568788272 /nfs/dbraw/zinc/78/82/72/568788272.db2.gz IGUQCKGJSXTZGK-IBGZPJMESA-N 1 0 421.545 3.264 40 0 HGABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257262855 568793650 /nfs/dbraw/zinc/79/36/50/568793650.db2.gz LNESPIAHVJIMAX-LJQANCHMSA-N 1 0 418.545 3.498 40 0 HGABRO C[N@H+](CC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(N)=O)C1)C1CCCC1 ZINC000257267780 568795029 /nfs/dbraw/zinc/79/50/29/568795029.db2.gz MISINMCRHKQSPH-QFIPXVFZSA-N 1 0 421.969 3.077 40 0 HGABRO COc1cccc(OC)c1C[NH+]1CCC(c2cncc(Nc3cnccn3)n2)CC1 ZINC000257274990 568797006 /nfs/dbraw/zinc/79/70/06/568797006.db2.gz NNMZEIBLPOBTJM-UHFFFAOYSA-N 1 0 406.490 3.407 40 0 HGABRO Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000257278903 568798212 /nfs/dbraw/zinc/79/82/12/568798212.db2.gz OEDGQJPQOMBTJQ-JOCHJYFZSA-N 1 0 419.529 3.493 40 0 HGABRO CCN(CC)C(=O)C[NH+]1CCC2(CC1)CC=CCN(Cc1ccc(F)cc1)C2=O ZINC000257290376 568801610 /nfs/dbraw/zinc/80/16/10/568801610.db2.gz QCSYDRWXLRPFMD-UHFFFAOYSA-N 1 0 401.526 3.065 40 0 HGABRO Cc1ccc(C)c(NC(=O)CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)[C@@H](O)C2)c1 ZINC000257290636 568801701 /nfs/dbraw/zinc/80/17/01/568801701.db2.gz QDRWPFAYKVCEGT-ZCYQVOJMSA-N 1 0 407.558 3.343 40 0 HGABRO c1cn2nc(C[C@@H]3COCC[N@H+](Cc4ccccc4N4CCCCC4)C3)ccc2n1 ZINC000257298874 568804193 /nfs/dbraw/zinc/80/41/93/568804193.db2.gz RNPOFLFCOLWVJO-FQEVSTJZSA-N 1 0 405.546 3.411 40 0 HGABRO Cc1nc2cc(NC(=O)C[N@H+]3C[C@@H]4[C@@H](Cc5ccnc(C)n5)CC[C@@H]4C3)ccc2n1C ZINC000257319846 568810180 /nfs/dbraw/zinc/81/01/80/568810180.db2.gz VUGYORQJBKCCGJ-DBXWQHBBSA-N 1 0 418.545 3.119 40 0 HGABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217647 568836555 /nfs/dbraw/zinc/83/65/55/568836555.db2.gz OTWBSRSMBMOJHH-GBESFXJTSA-N 1 0 424.360 3.370 40 0 HGABRO Cc1ccc(-c2nnc3n(c2=O)CCC32CC[NH+](Cc3cccc(C)n3)CC2)cc1 ZINC000306123183 568886232 /nfs/dbraw/zinc/88/62/32/568886232.db2.gz AGOAUADXDICMHI-UHFFFAOYSA-N 1 0 401.514 3.255 40 0 HGABRO C[NH+]1CCC(n2ncc3c2-c2ccccc2OC32CCN(C(=O)C3CC3)CC2)CC1 ZINC000306123666 568886780 /nfs/dbraw/zinc/88/67/80/568886780.db2.gz ATJILSVECRKUOV-UHFFFAOYSA-N 1 0 406.530 3.437 40 0 HGABRO O=C(NCC1CCCCC1)C1CCN(C2=NO[C@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000306125828 568888570 /nfs/dbraw/zinc/88/85/70/568888570.db2.gz DDDYMHSPRXAZRJ-GOTSBHOMSA-N 1 0 424.589 3.239 40 0 HGABRO COCCN1CC[C@]2(C[N@H+](Cc3ccc(C)s3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128040 568890846 /nfs/dbraw/zinc/89/08/46/568890846.db2.gz GOMYVPNLMNMZHY-SIKLNZKXSA-N 1 0 416.591 3.298 40 0 HGABRO CC[NH+](CC)CCNC(=O)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 ZINC000306128179 568890928 /nfs/dbraw/zinc/89/09/28/568890928.db2.gz GTHNMEDVVQCRTJ-UHFFFAOYSA-N 1 0 416.529 3.318 40 0 HGABRO CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000306132779 568895045 /nfs/dbraw/zinc/89/50/45/568895045.db2.gz LSAVRRVRHOHQIL-UHFFFAOYSA-N 1 0 413.541 3.422 40 0 HGABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccsc4)CC2)CN(C)C3)cc1 ZINC000306133226 568895399 /nfs/dbraw/zinc/89/53/99/568895399.db2.gz MFTGEWDFNNVUHE-UHFFFAOYSA-N 1 0 409.559 3.452 40 0 HGABRO Cc1ccc(C[N@H+]2CC[C@]3(C2)CN(C(C)C)S(=O)(=O)c2ccccc2O3)s1 ZINC000306137002 568898853 /nfs/dbraw/zinc/89/88/53/568898853.db2.gz QISYQJASBCHFBE-FQEVSTJZSA-N 1 0 406.573 3.493 40 0 HGABRO CN1CCN(Cc2ccc(F)cc2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306138819 568900702 /nfs/dbraw/zinc/90/07/02/568900702.db2.gz SIFAORBNIMVCAO-JOCHJYFZSA-N 1 0 402.477 3.419 40 0 HGABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccccc1 ZINC000306140282 568901987 /nfs/dbraw/zinc/90/19/87/568901987.db2.gz UOWICAOSLDFADU-LEWJYISDSA-N 1 0 401.466 3.298 40 0 HGABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccc(F)c3)C[C@H]1C2 ZINC000306141265 568902968 /nfs/dbraw/zinc/90/29/68/568902968.db2.gz VQFYQXBJXIYXFF-HZPDHXFCSA-N 1 0 409.440 3.113 40 0 HGABRO COCC(=O)N1Cc2c(nc(C)n2C(C)C)C2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000306144090 568905330 /nfs/dbraw/zinc/90/53/30/568905330.db2.gz YVUXZWVFMGGFTC-UHFFFAOYSA-N 1 0 410.562 3.295 40 0 HGABRO COC[C@@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218228835 568928531 /nfs/dbraw/zinc/92/85/31/568928531.db2.gz FZKUGDLVSLHEID-QYZOEREBSA-N 1 0 424.360 3.289 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)n1 ZINC000329061341 568975141 /nfs/dbraw/zinc/97/51/41/568975141.db2.gz WRURQZKVSHAUCE-UHFFFAOYSA-N 1 0 408.319 3.207 40 0 HGABRO Cc1ccc(C[NH2+]CCN(Cc2ccc(C)cc2)[C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575421423 569025833 /nfs/dbraw/zinc/02/58/33/569025833.db2.gz QLULZKRLWHKNCE-QHCPKHFHSA-N 1 0 400.588 3.472 40 0 HGABRO Cc1cccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2C[NH+](C)C)c1 ZINC000248102758 569316245 /nfs/dbraw/zinc/31/62/45/569316245.db2.gz IBKPXISGUJYBEX-DNQXCXABSA-N 1 0 421.585 3.353 40 0 HGABRO CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000006025965 569329373 /nfs/dbraw/zinc/32/93/73/569329373.db2.gz ZYCSTGSNPQTBQQ-UHFFFAOYSA-N 1 0 412.559 3.352 40 0 HGABRO CC(C)c1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000010111352 569342883 /nfs/dbraw/zinc/34/28/83/569342883.db2.gz BRHLSAVEHVGDNI-UHFFFAOYSA-N 1 0 417.575 3.073 40 0 HGABRO CC(=O)NCCn1nc([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)c2cccnc21 ZINC000012219523 569344724 /nfs/dbraw/zinc/34/47/24/569344724.db2.gz QSRXYMXXLOPWQK-KRWDZBQOSA-N 1 0 413.472 3.225 40 0 HGABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2C[N@@H+](C3CCCCC3)CCO2)n1 ZINC000019694887 569346628 /nfs/dbraw/zinc/34/66/28/569346628.db2.gz MTECMPWDAZWPOZ-HXUWFJFHSA-N 1 0 409.534 3.015 40 0 HGABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3nonc3N)cc2)C1 ZINC000019711770 569348194 /nfs/dbraw/zinc/34/81/94/569348194.db2.gz YCFGZPWMDALCHO-KURKYZTESA-N 1 0 401.511 3.491 40 0 HGABRO Cc1ccc([C@@H](C)C(=O)N2CCC(c3nc(C[NH+](C)C)cc(N(C)C)n3)CC2)cc1 ZINC000019710163 569348239 /nfs/dbraw/zinc/34/82/39/569348239.db2.gz WHDJTXSAUKEYEP-GOSISDBHSA-N 1 0 409.578 3.422 40 0 HGABRO Cn1cnc(S(=O)(=O)N2[C@H](Cc3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)c1 ZINC000019713477 569348368 /nfs/dbraw/zinc/34/83/68/569348368.db2.gz HHDKHDHITRGRKD-URVUXULASA-N 1 0 416.591 3.059 40 0 HGABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000033746291 569351260 /nfs/dbraw/zinc/35/12/60/569351260.db2.gz LSRMNHDHRAQZML-UHFFFAOYSA-N 1 0 402.951 3.148 40 0 HGABRO COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)cc1Cl ZINC000107564153 569352690 /nfs/dbraw/zinc/35/26/90/569352690.db2.gz ZPKSSBFNQNLNNT-UHFFFAOYSA-N 1 0 418.950 3.227 40 0 HGABRO C[NH+](C)CCNc1nc(C2CC2)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329030184 571304479 /nfs/dbraw/zinc/30/44/79/571304479.db2.gz QCBROKCVVHEDIA-UHFFFAOYSA-N 1 0 416.367 3.653 40 0 HGABRO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccccc2C[NH+](C)C)c1=O ZINC000004237227 291233086 /nfs/dbraw/zinc/23/30/86/291233086.db2.gz CYOZFBDAJOPYJG-PKOBYXMFSA-N 1 0 408.546 3.114 40 0 biogenic,in-vitro HGABRO CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCCCC2)no1)Cc1ccccc1 ZINC000015673539 291235673 /nfs/dbraw/zinc/23/56/73/291235673.db2.gz GEMHQDJDZNKZDH-VXKWHMMOSA-N 1 0 424.589 3.477 40 0 biogenic,in-vitro HGABRO O=C(C1CC1)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccc(F)cc4)CC3)ccc21 ZINC000019335373 132466918 /nfs/dbraw/zinc/46/69/18/132466918.db2.gz KUWZSAMMJLDNLN-DEOSSOPVSA-N 1 0 423.532 3.371 40 0 HGABRO C[C@@H]1CCc2onc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c2C1 ZINC000020572077 524732900 /nfs/dbraw/zinc/73/29/00/524732900.db2.gz VTMIOKUMBAQCQL-MRXNPFEDSA-N 1 0 416.953 3.395 40 0 HGABRO O=C(NCCC[NH+]1CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044900189 527662197 /nfs/dbraw/zinc/66/21/97/527662197.db2.gz CFQZUEFRVCIFDL-UHFFFAOYSA-N 1 0 421.950 3.357 40 0 HGABRO CC[NH+](CC)CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)cc1 ZINC000005794609 557674926 /nfs/dbraw/zinc/67/49/26/557674926.db2.gz UBSPZVHZVXBAKD-UHFFFAOYSA-N 1 0 404.532 3.303 40 0 HGABRO COc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCc1ccc(C)cc1 ZINC000007541537 557746308 /nfs/dbraw/zinc/74/63/08/557746308.db2.gz NLLOFYRPPXCFJC-UHFFFAOYSA-N 1 0 413.547 3.378 40 0 HGABRO Cc1c(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)cnn1C ZINC000019749085 558268253 /nfs/dbraw/zinc/26/82/53/558268253.db2.gz ZOTWUVCICGALSI-INIZCTEOSA-N 1 0 409.456 3.235 40 0 HGABRO Cc1nc([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765850 558278269 /nfs/dbraw/zinc/27/82/69/558278269.db2.gz FKZQXFWOFDYPDD-IBGZPJMESA-N 1 0 421.545 3.085 40 0 HGABRO Cc1nc([C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019765852 558278280 /nfs/dbraw/zinc/27/82/80/558278280.db2.gz XRDQDRSKENOXLH-FQEVSTJZSA-N 1 0 407.518 3.043 40 0 HGABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000012117910 558329484 /nfs/dbraw/zinc/32/94/84/558329484.db2.gz FRVFEMIQUCBWIM-UHFFFAOYSA-N 1 0 418.541 3.460 40 0 HGABRO CC(=O)N1c2ccc([C@@H](O)C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@@H]1C ZINC000012146832 558338066 /nfs/dbraw/zinc/33/80/66/558338066.db2.gz VLOYFEDSIKUYRS-HJPURHCSSA-N 1 0 412.505 3.140 40 0 HGABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1OC ZINC000012329661 558384201 /nfs/dbraw/zinc/38/42/01/558384201.db2.gz LVJYNKJPGVZBOW-RTBURBONSA-N 1 0 417.477 3.227 40 0 HGABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1OC ZINC000012329671 558384257 /nfs/dbraw/zinc/38/42/57/558384257.db2.gz JGKMQMAJQMCTGP-UXHICEINSA-N 1 0 413.514 3.396 40 0 HGABRO Cc1c2cc(C)ccc2[nH]c1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C2 ZINC000012366104 558388125 /nfs/dbraw/zinc/38/81/25/558388125.db2.gz DVAHPMTWRRIOOR-QRQCMCJISA-N 1 0 406.530 3.208 40 0 HGABRO CCOc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 ZINC000012366325 558388199 /nfs/dbraw/zinc/38/81/99/558388199.db2.gz YTEFIBLZVKZJTH-VXMMSVGHSA-N 1 0 409.530 3.078 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(SC)cc1 ZINC000020636840 558396162 /nfs/dbraw/zinc/39/61/62/558396162.db2.gz XFHNJKGNKCLCNB-PMACEKPBSA-N 1 0 423.538 3.173 40 0 HGABRO COc1ccc(-c2nc3ccc(Br)cn3c2CN2CC[NH2+]CC2)cc1 ZINC000022464858 558491078 /nfs/dbraw/zinc/49/10/78/558491078.db2.gz KWRSYOAKIITEKL-UHFFFAOYSA-N 1 0 401.308 3.178 40 0 HGABRO Cc1ccc(C)c(N(CCCC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)c1 ZINC000013669351 558561131 /nfs/dbraw/zinc/56/11/31/558561131.db2.gz NRKQBICZCSFBMV-UHFFFAOYSA-N 1 0 423.623 3.232 40 0 HGABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000013669809 558561280 /nfs/dbraw/zinc/56/12/80/558561280.db2.gz QBZBNJCZKNTHHR-UHFFFAOYSA-N 1 0 421.607 3.166 40 0 HGABRO COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000039765502 558685956 /nfs/dbraw/zinc/68/59/56/558685956.db2.gz CCYOZIPVCGMPPU-UHFFFAOYSA-N 1 0 424.497 3.419 40 0 HGABRO Cn1c2ccc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2n(C)c1=O ZINC000039773544 558686597 /nfs/dbraw/zinc/68/65/97/558686597.db2.gz MDHCLWWHSXHMQF-UHFFFAOYSA-N 1 0 412.921 3.381 40 0 HGABRO COc1ccc(CC[NH2+]CC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 ZINC000035311553 558789725 /nfs/dbraw/zinc/78/97/25/558789725.db2.gz ZFTGUFZTHDXRHY-UHFFFAOYSA-N 1 0 409.530 3.482 40 0 HGABRO CCc1c(C)nc2n(c1=O)CN(CCC[NH+](C)C)CN2c1cccc(C(F)(F)F)c1 ZINC000038830034 558816533 /nfs/dbraw/zinc/81/65/33/558816533.db2.gz ULJJKBZVQASJBC-UHFFFAOYSA-N 1 0 423.483 3.453 40 0 HGABRO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000038836195 558817976 /nfs/dbraw/zinc/81/79/76/558817976.db2.gz KFNSUFDRIIACPT-HXUWFJFHSA-N 1 0 411.521 3.395 40 0 HGABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@@H](C)[NH+]3CCCCC3)C1)N2 ZINC000019127283 558844708 /nfs/dbraw/zinc/84/47/08/558844708.db2.gz CRIDRIBBLXSDEO-VSZNYVQBSA-N 1 0 409.525 3.295 40 0 HGABRO Cc1ccc([C@H](NC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2CCCC2)c2ccncc2)cc1C ZINC000019213521 558849311 /nfs/dbraw/zinc/84/93/11/558849311.db2.gz KLXJHJNOELDXIP-ISKFKSNPSA-N 1 0 420.557 3.037 40 0 HGABRO Cn1ccnc1[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000019291296 558863872 /nfs/dbraw/zinc/86/38/72/558863872.db2.gz ATHZOPWLUAKWTM-GOTSBHOMSA-N 1 0 421.589 3.061 40 0 HGABRO O=c1cc([C@@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)nc(N2CCOCC2)[nH]1 ZINC000019293307 558864996 /nfs/dbraw/zinc/86/49/96/558864996.db2.gz VZJWIMBQOFLRRV-MRXNPFEDSA-N 1 0 422.451 3.005 40 0 HGABRO O=C(C[NH+]1CCCCC1)N1CCO[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000019293334 558865118 /nfs/dbraw/zinc/86/51/18/558865118.db2.gz JYBASJHBUHWNAU-INIZCTEOSA-N 1 0 424.423 3.141 40 0 HGABRO O=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000019349074 558874821 /nfs/dbraw/zinc/87/48/21/558874821.db2.gz RQGCNWJNZUOCTJ-HXUWFJFHSA-N 1 0 412.534 3.254 40 0 HGABRO O=C([C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1)N1CCCCC1 ZINC000019372452 558879945 /nfs/dbraw/zinc/87/99/45/558879945.db2.gz UBVXAJDPSGRJGN-VXKWHMMOSA-N 1 0 419.573 3.305 40 0 HGABRO O=c1ccc(-c2cccs2)nn1CC1(O)C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC000019401443 558883552 /nfs/dbraw/zinc/88/35/52/558883552.db2.gz IIHCDCFXTGIKEB-LIMIJEPZSA-N 1 0 422.554 3.315 40 0 HGABRO O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019403705 558884361 /nfs/dbraw/zinc/88/43/61/558884361.db2.gz ATKQOGBBJPNXJG-HXUWFJFHSA-N 1 0 422.533 3.030 40 0 HGABRO COc1ccc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)cc1OC(C)C ZINC000019450499 558888835 /nfs/dbraw/zinc/88/88/35/558888835.db2.gz YSSHNBKLWXVDLS-UHFFFAOYSA-N 1 0 420.513 3.229 40 0 HGABRO CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccc(C)cc4C)CC3)ccc21 ZINC000057811741 558890985 /nfs/dbraw/zinc/89/09/85/558890985.db2.gz ZATSJGSPNMQGDT-RUZDIDTESA-N 1 0 407.558 3.458 40 0 HGABRO C[C@H](CC(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1)n1ccnc1 ZINC000019455462 558891746 /nfs/dbraw/zinc/89/17/46/558891746.db2.gz MCXQUWZEPBJFBE-QGZVFWFLSA-N 1 0 424.524 3.155 40 0 HGABRO CCOc1ccccc1C[NH+]1CCC2(C[C@@]3(CO2)Nc2ccccc2C(=O)N3)CC1 ZINC000019520172 558901041 /nfs/dbraw/zinc/90/10/41/558901041.db2.gz SOASZPMVXMYUAS-XMMPIXPASA-N 1 0 407.514 3.392 40 0 HGABRO CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)cc2N1 ZINC000019520592 558901718 /nfs/dbraw/zinc/90/17/18/558901718.db2.gz NXZPXSZEBFGIOW-SQWLQELKSA-N 1 0 401.477 3.431 40 0 HGABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(OC)c1 ZINC000019552269 558915766 /nfs/dbraw/zinc/91/57/66/558915766.db2.gz BQIGBAVPBIFVPF-XOKHGSTOSA-N 1 0 407.465 3.198 40 0 HGABRO COc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@H+](Cc4cnn(C)c4C)C3)no2)cc1 ZINC000019553684 558916808 /nfs/dbraw/zinc/91/68/08/558916808.db2.gz KGDJDXXQODPCAN-GOSISDBHSA-N 1 0 423.517 3.035 40 0 HGABRO Cc1c(C[N@@H+]2CCC[C@H](c3cc(C(=O)NCc4cccc(F)c4)on3)C2)cnn1C ZINC000019553693 558916842 /nfs/dbraw/zinc/91/68/42/558916842.db2.gz BCMWSZZZIGSPSF-KRWDZBQOSA-N 1 0 411.481 3.165 40 0 HGABRO COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000019556855 558919261 /nfs/dbraw/zinc/91/92/61/558919261.db2.gz UDWVVUKKNOGQSJ-FHLIZLRMSA-N 1 0 407.465 3.068 40 0 HGABRO C[NH+](C)CCNc1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000019582960 558937567 /nfs/dbraw/zinc/93/75/67/558937567.db2.gz OHRMJYPJZBYVPD-UHFFFAOYSA-N 1 0 406.509 3.210 40 0 HGABRO CN(CC[NH+](C)C)c1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000019582485 558937605 /nfs/dbraw/zinc/93/76/05/558937605.db2.gz LRWAWWNSYNGDRU-UHFFFAOYSA-N 1 0 420.536 3.234 40 0 HGABRO C[N@@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC000019587611 558939854 /nfs/dbraw/zinc/93/98/54/558939854.db2.gz CAJYOPVPQBDRQG-GHTZIAJQSA-N 1 0 410.493 3.032 40 0 HGABRO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000072359109 558954684 /nfs/dbraw/zinc/95/46/84/558954684.db2.gz GESONMXEORMHGU-HXUWFJFHSA-N 1 0 421.545 3.292 40 0 HGABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000072370362 558956841 /nfs/dbraw/zinc/95/68/41/558956841.db2.gz LTRXPEDZFLBFLH-MRXNPFEDSA-N 1 0 409.559 3.324 40 0 HGABRO O=C(CC[NH+]1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)N1CCOCC1 ZINC000019690271 558959628 /nfs/dbraw/zinc/95/96/28/558959628.db2.gz LIALWKAXDMOLEM-UHFFFAOYSA-N 1 0 411.521 3.240 40 0 HGABRO CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000019694666 558963393 /nfs/dbraw/zinc/96/33/93/558963393.db2.gz FQCLEQAYPOAESG-SFHVURJKSA-N 1 0 411.525 3.151 40 0 HGABRO CCOC1CCN(C(=O)c2ccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)nc2)CC1 ZINC000019706012 558968567 /nfs/dbraw/zinc/96/85/67/558968567.db2.gz NPFYBJLGFBITDT-FQEVSTJZSA-N 1 0 408.546 3.497 40 0 HGABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C)C3)nc(N3CCC(C(C)(C)C)CC3)c2C1 ZINC000019711296 558973474 /nfs/dbraw/zinc/97/34/74/558973474.db2.gz MXRUXZBWFUYBGO-GOSISDBHSA-N 1 0 413.610 3.453 40 0 HGABRO COCCOc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)c1 ZINC000072395328 558974250 /nfs/dbraw/zinc/97/42/50/558974250.db2.gz PELCPAHKCCECBR-MRXNPFEDSA-N 1 0 417.460 3.467 40 0 HGABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H](C)C4)C3)CC2)c1 ZINC000585104887 559027504 /nfs/dbraw/zinc/02/75/04/559027504.db2.gz VVCICVFJPCKLQH-PGRDOPGGSA-N 1 0 416.562 3.447 40 0 HGABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000585106342 559028723 /nfs/dbraw/zinc/02/87/23/559028723.db2.gz XPEWNPHHBSSJNT-UHOSZYNNSA-N 1 0 417.981 3.110 40 0 HGABRO Cc1noc(C)c1C(=O)N1CCC2(C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000585113475 559031206 /nfs/dbraw/zinc/03/12/06/559031206.db2.gz OARFUQUWBBCVBV-XMMPIXPASA-N 1 0 409.530 3.436 40 0 HGABRO C[N@@H+]1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)Cc3ccc(F)cc3)CC4)c2C1 ZINC000585110441 559031329 /nfs/dbraw/zinc/03/13/29/559031329.db2.gz WMGQQPDRKGGUBF-UHFFFAOYSA-N 1 0 404.489 3.331 40 0 HGABRO CO[C@@]12CC[C@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[NH2+]1)[C@@H]2O5 ZINC000095868360 559088684 /nfs/dbraw/zinc/08/86/84/559088684.db2.gz YOYLLRBMGQRFTN-ZCXKYXFVSA-N 1 0 413.558 3.291 40 0 HGABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(Cc1nccs1)CC3 ZINC000096036316 559089928 /nfs/dbraw/zinc/08/99/28/559089928.db2.gz VZTLVFDUHGEFGW-PGRDOPGGSA-N 1 0 402.608 3.080 40 0 HGABRO C[NH+](C)CCCNC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 ZINC000096037789 559091566 /nfs/dbraw/zinc/09/15/66/559091566.db2.gz JQNKJDOMAVRVFR-UHFFFAOYSA-N 1 0 404.518 3.099 40 0 HGABRO COc1ccc(C[NH+]2CCC3(CC[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000096051635 559092258 /nfs/dbraw/zinc/09/22/58/559092258.db2.gz ISBKUKVTICNGGW-OAQYLSRUSA-N 1 0 400.544 3.418 40 0 HGABRO Cc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@]4(C)CCC[NH2+]4)CC3)n2)s1 ZINC000585263490 559111882 /nfs/dbraw/zinc/11/18/82/559111882.db2.gz MRSCCZATIQAHHD-HXUWFJFHSA-N 1 0 400.552 3.142 40 0 HGABRO O[C@H]1C[N@H+](Cc2ccc(OCCn3cccn3)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000585268811 559114267 /nfs/dbraw/zinc/11/42/67/559114267.db2.gz IZZDRNFIWZPWOQ-VXKWHMMOSA-N 1 0 413.905 3.240 40 0 HGABRO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000585271374 559116757 /nfs/dbraw/zinc/11/67/57/559116757.db2.gz XFXSDAAPODCDQU-XMMPIXPASA-N 1 0 404.514 3.129 40 0 HGABRO Cc1ccc(OC[C@@]2(O)C[N@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)cc1 ZINC000585287336 559122090 /nfs/dbraw/zinc/12/20/90/559122090.db2.gz MTJNYCJSDNEDTE-SJROBZAFSA-N 1 0 405.579 3.139 40 0 HGABRO CCCCc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)cc1 ZINC000585289940 559122508 /nfs/dbraw/zinc/12/25/08/559122508.db2.gz NKBMLULQDDTCLH-AHWVRZQESA-N 1 0 424.585 3.076 40 0 HGABRO Cc1cc(C)nc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)nc(C)n2)n1 ZINC000585292504 559125289 /nfs/dbraw/zinc/12/52/89/559125289.db2.gz NRRUBQUHPSYFTE-LHUXKHBRSA-N 1 0 409.538 3.107 40 0 HGABRO O=C1C[C@H](NCC[NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100155041 559130887 /nfs/dbraw/zinc/13/08/87/559130887.db2.gz QCPIQZBPHOPNFA-QFIPXVFZSA-N 1 0 409.505 3.002 40 0 HGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc(I)c2)C1 ZINC000107681315 559165788 /nfs/dbraw/zinc/16/57/88/559165788.db2.gz SNZAIHDSIFDCCD-OKILXGFUSA-N 1 0 400.304 3.389 40 0 HGABRO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCC(C)CC3)cc2c1 ZINC000000782697 559279265 /nfs/dbraw/zinc/27/92/65/559279265.db2.gz ZORMNJNUCSNEBZ-FQEVSTJZSA-N 1 0 424.549 3.490 40 0 HGABRO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](C4CCC(F)(F)CC4)C[C@H]2N(C)C3=O)cn1 ZINC000514289206 560033275 /nfs/dbraw/zinc/03/32/75/560033275.db2.gz FZWDZUWZDCMRSO-QUCCMNQESA-N 1 0 416.472 3.182 40 0 biogenic,in-vitro HGABRO Cn1c(CN2CCSCC2)cc(=O)c(O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000095479252 560558245 /nfs/dbraw/zinc/55/82/45/560558245.db2.gz PCEHZJKJJZXXTI-JTSKRJEESA-N 1 0 405.608 3.040 40 0 HGABRO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@@H](O)[C@@H]21 ZINC000004028675 560597325 /nfs/dbraw/zinc/59/73/25/560597325.db2.gz SYTZVGPWDLPTPO-SMXNYXPKSA-N 1 0 413.558 3.325 40 0 HGABRO Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCCc3ccccc3)cc2c1 ZINC000004133413 560600424 /nfs/dbraw/zinc/60/04/24/560600424.db2.gz WELDBLQQPUAEHV-UHFFFAOYSA-N 1 0 422.598 3.317 40 0 HGABRO O=C(C[NH+]1CCCCC1)N1CCC[C@@H](c2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 ZINC000004908512 560618017 /nfs/dbraw/zinc/61/80/17/560618017.db2.gz WOIMYENWHHYGKA-OAHLLOKOSA-N 1 0 414.575 3.055 40 0 HGABRO Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409053446 560669855 /nfs/dbraw/zinc/66/98/55/560669855.db2.gz KCORKLIGJJGTQS-NXTBZVMJSA-O 1 0 402.449 3.150 40 0 HGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409059606 560670970 /nfs/dbraw/zinc/67/09/70/560670970.db2.gz SMHAFNGUVCRNNG-AYHYUOJHSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409066944 560672391 /nfs/dbraw/zinc/67/23/91/560672391.db2.gz IBAUOPOGWKTMBV-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409066943 560672397 /nfs/dbraw/zinc/67/23/97/560672397.db2.gz IBAUOPOGWKTMBV-AYHYUOJHSA-O 1 0 414.485 3.020 40 0 HGABRO COc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCc1cccs1 ZINC000007540489 560751634 /nfs/dbraw/zinc/75/16/34/560751634.db2.gz CHOHZCFXZVVVFV-UHFFFAOYSA-N 1 0 405.549 3.131 40 0 HGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000260565658 560795646 /nfs/dbraw/zinc/79/56/46/560795646.db2.gz RPIAWLPQGYHSMK-IBGZPJMESA-N 1 0 407.580 3.001 40 0 HGABRO Cc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020140648 560881422 /nfs/dbraw/zinc/88/14/22/560881422.db2.gz DRYWWSNSECVKDS-XZOQPEGZSA-N 1 0 424.593 3.200 40 0 HGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2cccc(Cl)c2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382107 568489398 /nfs/dbraw/zinc/48/93/98/568489398.db2.gz DRPJVSIOMQTNPS-SSGKUCQKSA-N 1 0 423.944 3.487 40 0 biogenic,in-vitro HGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCC2)[C@@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000604382632 568489563 /nfs/dbraw/zinc/48/95/63/568489563.db2.gz WESZOHAYVAHUGV-UAFMIMERSA-N 1 0 421.463 3.205 40 0 biogenic,in-vitro HGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382701 568489567 /nfs/dbraw/zinc/48/95/67/568489567.db2.gz ZCHFHGPAOBLHPZ-XRXFAXGQSA-N 1 0 417.500 3.212 40 0 biogenic,in-vitro HGABRO CC(C)[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000057671553 568495291 /nfs/dbraw/zinc/49/52/91/568495291.db2.gz SCYSTUUKYYYKMI-IBGZPJMESA-N 1 0 400.527 3.441 40 0 HGABRO CC[C@H](OC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000022870633 568500410 /nfs/dbraw/zinc/50/04/10/568500410.db2.gz BURKISBUYAVOCA-YADHBBJMSA-N 1 0 412.530 3.062 40 0 HGABRO COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1C ZINC000223222891 568541474 /nfs/dbraw/zinc/54/14/74/568541474.db2.gz CWQPCVQWJQXCKH-SFTDATJTSA-N 1 0 415.607 3.071 40 0 HGABRO COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223714626 568557063 /nfs/dbraw/zinc/55/70/63/568557063.db2.gz QJFGOURJGYBVGF-NHCUHLMSSA-N 1 0 421.526 3.193 40 0 HGABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1OC ZINC000224664280 568591303 /nfs/dbraw/zinc/59/13/03/568591303.db2.gz OJMHKJNBOANTDS-UHFFFAOYSA-N 1 0 404.532 3.168 40 0 HGABRO COC(=O)CSc1nnc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000225837628 568679525 /nfs/dbraw/zinc/67/95/25/568679525.db2.gz PZIJXUCHPCAKGU-UHFFFAOYSA-N 1 0 420.560 3.287 40 0 HGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000260742419 568737358 /nfs/dbraw/zinc/73/73/58/568737358.db2.gz VZLBWVKGCRGUDY-KRWDZBQOSA-N 1 0 412.625 3.023 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000225661701 568778262 /nfs/dbraw/zinc/77/82/62/568778262.db2.gz FYDSZLRCGNAQST-WSTZPKSXSA-N 1 0 407.919 3.096 40 0 HGABRO CC(=O)N1CC[C@@H]2[C@@H](C1)CCCC[N@@H+]2Cc1ccc(C(C)(C)C)cc1OCC(N)=O ZINC000257218111 568781357 /nfs/dbraw/zinc/78/13/57/568781357.db2.gz DBXUCCZWBOUHAB-WIYYLYMNSA-N 1 0 415.578 3.071 40 0 HGABRO Cc1cc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@@H+]3C)[nH]c(=O)n1 ZINC000257245102 568788868 /nfs/dbraw/zinc/78/88/68/568788868.db2.gz IOBNYTWBYPUZMV-ZTGMJEERSA-N 1 0 406.530 3.189 40 0 HGABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)c2)cc1 ZINC000257247855 568789678 /nfs/dbraw/zinc/78/96/78/568789678.db2.gz JAWJDLMRZWZKDK-GOSISDBHSA-N 1 0 422.529 3.471 40 0 HGABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@@H](Cc2ccc3nccn3c2)C1 ZINC000257275024 568797164 /nfs/dbraw/zinc/79/71/64/568797164.db2.gz NNQWZXUQZULSPF-NRFANRHFSA-N 1 0 418.541 3.261 40 0 HGABRO Cc1cc(OC[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(Cl)c(C)c2)ccc1Cl ZINC000002685833 568800928 /nfs/dbraw/zinc/80/09/28/568800928.db2.gz BTNURVOOMFXKRL-HZPDHXFCSA-N 1 0 414.329 3.379 40 0 HGABRO COc1ccc2[nH]c(C[NH+]3CCC4(CC3)C[C@@H](O)[C@H](c3ccccc3)NC4=O)cc2c1 ZINC000257305308 568806148 /nfs/dbraw/zinc/80/61/48/568806148.db2.gz SPIVDNXNZRCCBD-PKTZIBPZSA-N 1 0 419.525 3.381 40 0 HGABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccncc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257306156 568806344 /nfs/dbraw/zinc/80/63/44/568806344.db2.gz STDWTPHEJZLHFQ-NRFANRHFSA-N 1 0 407.562 3.423 40 0 HGABRO Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@H]3Cc2ccccc2)nc(N)n1 ZINC000257307177 568806755 /nfs/dbraw/zinc/80/67/55/568806755.db2.gz SXNIKSLXGMQWRS-VRADTLIUSA-N 1 0 405.546 3.114 40 0 HGABRO Cc1nc2cc([C@H]3CC[N@H+](Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257324424 568811530 /nfs/dbraw/zinc/81/15/30/568811530.db2.gz WOPXWALAEDJETE-FQEVSTJZSA-N 1 0 420.561 3.188 40 0 HGABRO COc1ccc(NC(C)=O)c(NC(=O)C[N@H+]2C[C@@H]3[C@@H](Cc4ccccn4)CC[C@@H]3C2)c1 ZINC000257341156 568816462 /nfs/dbraw/zinc/81/64/62/568816462.db2.gz ZJBKCAOCXHLWGF-DBXWQHBBSA-N 1 0 422.529 3.188 40 0 HGABRO CCCc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)C(C)(C)[NH3+])CC2)n1 ZINC000257342135 568816615 /nfs/dbraw/zinc/81/66/15/568816615.db2.gz ZNEWIZKSWVLGMX-UHFFFAOYSA-N 1 0 402.568 3.381 40 0 HGABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306123991 568887054 /nfs/dbraw/zinc/88/70/54/568887054.db2.gz BCMFGUKFQMKVQU-SFTDATJTSA-N 1 0 419.456 3.437 40 0 HGABRO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12C[N@H+](C[C@H]1C[C@@H]3C=C[C@H]1C3)CCO2 ZINC000306124340 568887241 /nfs/dbraw/zinc/88/72/41/568887241.db2.gz BMYJZPSYNRLJRA-XPEFGHIFSA-N 1 0 401.576 3.407 40 0 HGABRO Cc1nc(CN2CC[C@]3(C[N@@H+](CC4CC4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306124835 568887736 /nfs/dbraw/zinc/88/77/36/568887736.db2.gz CARBMIHRZCCRHW-DENIHFKCSA-N 1 0 413.591 3.457 40 0 HGABRO COc1cccc(C[N@@H+]2C[C@@H]3CCn4c(C(=O)Nc5ccccc5)nnc4[C@H]3C2)c1 ZINC000306125155 568887856 /nfs/dbraw/zinc/88/78/56/568887856.db2.gz CICUWIYXMVFZOV-PXNSSMCTSA-N 1 0 403.486 3.158 40 0 HGABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4sccc4C)C[C@H]2C3)cc1 ZINC000306129322 568891939 /nfs/dbraw/zinc/89/19/39/568891939.db2.gz IAPYCKYCWPMVEG-HZPDHXFCSA-N 1 0 423.542 3.213 40 0 HGABRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CN(C(C)C)S(=O)(=O)c2ccccc2O3)s1 ZINC000306137003 568898827 /nfs/dbraw/zinc/89/88/27/568898827.db2.gz QISYQJASBCHFBE-HXUWFJFHSA-N 1 0 406.573 3.493 40 0 HGABRO Cc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)c1 ZINC000306137982 568899915 /nfs/dbraw/zinc/89/99/15/568899915.db2.gz RLSKDMIMTGFOEC-ROUUACIJSA-N 1 0 405.477 3.282 40 0 HGABRO COc1ccc(CN2CCN(C)[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 ZINC000306139571 568901391 /nfs/dbraw/zinc/90/13/91/568901391.db2.gz TUPBMFDTPQIBOZ-HSZRJFAPSA-N 1 0 414.513 3.289 40 0 HGABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccccc1 ZINC000306140284 568902054 /nfs/dbraw/zinc/90/20/54/568902054.db2.gz UOWICAOSLDFADU-RTWAWAEBSA-N 1 0 401.466 3.298 40 0 HGABRO COc1ncccc1NC(=O)c1nc(-c2ccn(CC[NH+](C)C)c2)n2ccccc12 ZINC000306141702 568903231 /nfs/dbraw/zinc/90/32/31/568903231.db2.gz WEGUKLMILJMRKB-UHFFFAOYSA-N 1 0 404.474 3.020 40 0 HGABRO CC(C)C[NH+]1CCC2(CC1)CN(CC1CCCC1)S(=O)(=O)c1cccnc1O2 ZINC000306141820 568903295 /nfs/dbraw/zinc/90/32/95/568903295.db2.gz WHGDCDPVPUZUTG-UHFFFAOYSA-N 1 0 407.580 3.146 40 0 HGABRO CC(C)N1CC2(CC[NH+](Cc3ccoc3)CC2)COc2ccccc2S1(=O)=O ZINC000306141757 568903302 /nfs/dbraw/zinc/90/33/02/568903302.db2.gz WFOIKWWYMIDJBA-UHFFFAOYSA-N 1 0 404.532 3.354 40 0 HGABRO CC1CC[NH+](C[C@@H](O)COCCOc2c(F)cc(Br)cc2F)CC1 ZINC000027530944 568915930 /nfs/dbraw/zinc/91/59/30/568915930.db2.gz XABQBRUVYASWIR-CQSZACIVSA-N 1 0 408.283 3.216 40 0 HGABRO NC(=[NH2+])Nc1ccc(C(=O)Oc2ccc(CC(=O)OCc3ccccc3)cc2)cc1 ZINC000065742690 568939989 /nfs/dbraw/zinc/93/99/89/568939989.db2.gz VFYYEBRHWRQXNW-UHFFFAOYSA-N 1 0 403.438 3.497 40 0 in-vitro HGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2cccnc2)n1 ZINC000329000645 568972031 /nfs/dbraw/zinc/97/20/31/568972031.db2.gz KAMFKBWEKJEAIV-UHFFFAOYSA-N 1 0 400.889 3.282 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2ccccc2OC(F)(F)F)cc(C(F)(F)F)n1 ZINC000329020822 568973091 /nfs/dbraw/zinc/97/30/91/568973091.db2.gz ODCVMPATBOPZKL-UHFFFAOYSA-N 1 0 423.361 3.345 40 0 HGABRO Cc1ccc(C[NH2+]CCN(Cc2ccc(C)cc2)[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575421422 569025819 /nfs/dbraw/zinc/02/58/19/569025819.db2.gz QLULZKRLWHKNCE-HSZRJFAPSA-N 1 0 400.588 3.472 40 0 HGABRO C[C@@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)CC(C)(C)C1 ZINC000035088565 569047955 /nfs/dbraw/zinc/04/79/55/569047955.db2.gz DTSWGECSRZRXQY-NRSPTQNISA-N 1 0 418.578 3.125 40 0 HGABRO COCCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC ZINC000247887781 569315699 /nfs/dbraw/zinc/31/56/99/569315699.db2.gz DZLJSQKFHYZXBA-ROKPMTFOSA-N 1 0 412.530 3.153 40 0 HGABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc(C(=O)OC)c1 ZINC000009063179 569342310 /nfs/dbraw/zinc/34/23/10/569342310.db2.gz AWUGGDIZMPKRGO-UHFFFAOYSA-N 1 0 424.497 3.419 40 0 HGABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccccc2NC(=O)Cc2nonc2N)C1 ZINC000019712246 569348311 /nfs/dbraw/zinc/34/83/11/569348311.db2.gz BNOYQSLQHJAPAX-YSGRDPCXSA-N 1 0 415.538 3.420 40 0 HGABRO COCCNC(=O)[C@@H]1Cc2cn(Cc3ccccn3)c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171677 291236815 /nfs/dbraw/zinc/23/68/15/291236815.db2.gz XTIFRUNZLGKOGF-VXKWHMMOSA-N 1 0 420.557 3.449 40 0 biogenic,in-vitro HGABRO O=C(Nc1cccc2ccccc21)O[C@@H]1CO[C@@H]2[C@@H]([NH2+]Cc3ccccn3)CO[C@H]12 ZINC000067898999 291244620 /nfs/dbraw/zinc/24/46/20/291244620.db2.gz SRGSUILSIOECMU-DXBBTUNJSA-N 1 0 405.454 3.108 40 0 biogenic,in-vitro HGABRO COCCc1ncc(C[NH+]2CCC(c3cccc(Nc4cc(C)on4)n3)CC2)cn1 ZINC000072376183 522036104 /nfs/dbraw/zinc/03/61/04/522036104.db2.gz NHKUGMCKJNGWSP-UHFFFAOYSA-N 1 0 408.506 3.480 40 0 HGABRO COc1cc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc(OC)c1OC ZINC000044917530 522428451 /nfs/dbraw/zinc/42/84/51/522428451.db2.gz AAPVBLWJLXBJGX-GOSISDBHSA-N 1 0 416.493 3.380 40 0 HGABRO CNc1nc([C@H]2CCCN2C(=O)C2(c3cccc(F)c3)CCCC2)nc2c1C[NH2+]CC2 ZINC000072372367 522688659 /nfs/dbraw/zinc/68/86/59/522688659.db2.gz QPBCFJVEHXUSGI-HXUWFJFHSA-N 1 0 423.536 3.479 40 0 HGABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COCCOc2ccc(F)cc2)CC1 ZINC000041690276 524735983 /nfs/dbraw/zinc/73/59/83/524735983.db2.gz JQLWPUMENJNDCR-FQEVSTJZSA-N 1 0 422.928 3.366 40 0 HGABRO O[C@H](COCCOC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccccc2)CC1 ZINC000041689843 526283396 /nfs/dbraw/zinc/28/33/96/526283396.db2.gz PNPGRFIEOSNNBJ-JSGDDZNVSA-N 1 0 414.590 3.172 40 0 HGABRO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000034880551 557479261 /nfs/dbraw/zinc/47/92/61/557479261.db2.gz VLLJMMUWEYSLRX-GBPOLFSSSA-N 1 0 421.884 3.080 40 0 HGABRO CCOC(=O)CSc1cc(C)n[n+]2cnn(Cc3ccc(Cl)cc3Cl)c12 ZINC000005458796 557654834 /nfs/dbraw/zinc/65/48/34/557654834.db2.gz BWDPZTXFTSPVJO-UHFFFAOYSA-N 1 0 412.322 3.336 40 0 HGABRO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000009012098 557819121 /nfs/dbraw/zinc/81/91/21/557819121.db2.gz MKPIBSLBSTYPPT-FYBXHKAZSA-N 1 0 423.472 3.271 40 0 HGABRO CNc1ncccc1C[NH+]1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1 ZINC000019757185 558274811 /nfs/dbraw/zinc/27/48/11/558274811.db2.gz IYANJZWOGXHSAH-UHFFFAOYSA-N 1 0 408.550 3.040 40 0 HGABRO Cc1nc(C2CC[NH+](Cc3cnn(C)c3)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019763885 558277655 /nfs/dbraw/zinc/27/76/55/558277655.db2.gz CCIPRPWHSOYXPG-UHFFFAOYSA-N 1 0 408.481 3.290 40 0 HGABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCOC[C@H]3CCCO3)cc12 ZINC000012186395 558345437 /nfs/dbraw/zinc/34/54/37/558345437.db2.gz UCUXFJOTAYCLKG-LJQANCHMSA-N 1 0 424.545 3.297 40 0 HGABRO Cc1cc(-c2cnn(CCNC(=O)C[NH+]3CCCCCC3)c2-c2ccc(C)nc2)on1 ZINC000012223170 558356465 /nfs/dbraw/zinc/35/64/65/558356465.db2.gz ULPCJGYQDKNFJV-UHFFFAOYSA-N 1 0 422.533 3.209 40 0 HGABRO CC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293411 558366529 /nfs/dbraw/zinc/36/65/29/558366529.db2.gz BLNYQDPZICOFAH-FGZHOGPDSA-N 1 0 410.514 3.338 40 0 HGABRO CC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293405 558366544 /nfs/dbraw/zinc/36/65/44/558366544.db2.gz BLNYQDPZICOFAH-YADHBBJMSA-N 1 0 410.514 3.338 40 0 HGABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000012329596 558384349 /nfs/dbraw/zinc/38/43/49/558384349.db2.gz YGGHHNMUCCCVAX-PMACEKPBSA-N 1 0 405.441 3.358 40 0 HGABRO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CC[NH+](C)CC2)cc1 ZINC000028296058 558698752 /nfs/dbraw/zinc/69/87/52/558698752.db2.gz OQLPJCBZXXJACO-JOCHJYFZSA-N 1 0 404.514 3.369 40 0 HGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000070680890 558803811 /nfs/dbraw/zinc/80/38/11/558803811.db2.gz MAJIMOBMGHQQSS-GJLHXFCQSA-N 1 0 410.558 3.094 40 0 HGABRO COc1ccc2c(c1)C=C(C[NH+]1CCC([C@H](NC(C)=O)c3ccccn3)CC1)CO2 ZINC000019020428 558837698 /nfs/dbraw/zinc/83/76/98/558837698.db2.gz UQQOHTYDBSXXGO-DEOSSOPVSA-N 1 0 407.514 3.455 40 0 HGABRO Cc1nc2c(C)cccn2c1C[N@@H+]1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019237592 558856845 /nfs/dbraw/zinc/85/68/45/558856845.db2.gz UEVBQTBVCXFZNW-YADARESESA-N 1 0 403.530 3.375 40 0 HGABRO Cc1ncc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019287204 558860891 /nfs/dbraw/zinc/86/08/91/558860891.db2.gz SSIKNOMZEAAOPT-SIKLNZKXSA-N 1 0 411.525 3.095 40 0 HGABRO O=C(c1cc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)no1)N1CCC(O)CC1 ZINC000019293403 558865035 /nfs/dbraw/zinc/86/50/35/558865035.db2.gz CVWVRMLGLWYMEP-MRXNPFEDSA-N 1 0 403.910 3.305 40 0 HGABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000019404207 558884508 /nfs/dbraw/zinc/88/45/08/558884508.db2.gz BAJDLLXLZXJYKP-UGKGYDQZSA-N 1 0 422.577 3.426 40 0 HGABRO O=C(c1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019404891 558884725 /nfs/dbraw/zinc/88/47/25/558884725.db2.gz NYGXBHRAVJODGZ-OAQYLSRUSA-N 1 0 421.545 3.223 40 0 HGABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccnc(N2CCCCC2)n1 ZINC000019449997 558888494 /nfs/dbraw/zinc/88/84/94/558888494.db2.gz QAKDJYRQVUWQCY-RTBURBONSA-N 1 0 413.591 3.269 40 0 HGABRO C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1)c1ccccc1 ZINC000019459049 558892884 /nfs/dbraw/zinc/89/28/84/558892884.db2.gz YYJCLXCWYJGYRM-HKUYNNGSSA-N 1 0 420.557 3.190 40 0 HGABRO CCC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4cccc(OC)c4)CC3)ccc21 ZINC000019498894 558897262 /nfs/dbraw/zinc/89/72/62/558897262.db2.gz QEOPLKMSMHKHKE-XMMPIXPASA-N 1 0 423.557 3.240 40 0 HGABRO CCOc1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)c(C)cc1OC ZINC000019531805 558912073 /nfs/dbraw/zinc/91/20/73/558912073.db2.gz AUKYBJOSLUSAQX-RJGXRXQPSA-N 1 0 410.558 3.264 40 0 HGABRO CCOc1cc2c(cc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1cc(F)cc(F)c1)OCO2 ZINC000019532551 558912661 /nfs/dbraw/zinc/91/26/61/558912661.db2.gz HILLMBKVZCDXPI-IERDGZPVSA-N 1 0 404.413 3.202 40 0 HGABRO COc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@H+](Cc4cnn(C)c4C)C3)no2)c1 ZINC000019553696 558916855 /nfs/dbraw/zinc/91/68/55/558916855.db2.gz ZBFDUMZCRGZRER-GOSISDBHSA-N 1 0 423.517 3.035 40 0 HGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC1)C[C@H]2O ZINC000019563020 558923560 /nfs/dbraw/zinc/92/35/60/558923560.db2.gz BAGWHZIHWFDRKW-WOJBJXKFSA-N 1 0 405.441 3.358 40 0 HGABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1OC ZINC000019567760 558927083 /nfs/dbraw/zinc/92/70/83/558927083.db2.gz LRNLCNDCTQWXCD-CWRNSKLLSA-N 1 0 407.465 3.198 40 0 HGABRO Cc1c(C[NH+]2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccc2n1C ZINC000072338965 558938370 /nfs/dbraw/zinc/93/83/70/558938370.db2.gz UCDPEJKCAMFMOJ-QHCPKHFHSA-N 1 0 424.570 3.429 40 0 HGABRO COc1cc(C)c(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)cc1C ZINC000072340532 558938998 /nfs/dbraw/zinc/93/89/98/558938998.db2.gz XYIGBZVLKTWJLO-XMMPIXPASA-N 1 0 420.557 3.449 40 0 HGABRO COC(=O)[C@@]1(Cc2ccc(OC)cc2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072340206 558939083 /nfs/dbraw/zinc/93/90/83/558939083.db2.gz XAAJGQSXNFAOIO-RZTXVSJASA-N 1 0 423.509 3.412 40 0 HGABRO C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC000019587613 558939916 /nfs/dbraw/zinc/93/99/16/558939916.db2.gz CAJYOPVPQBDRQG-WIYYLYMNSA-N 1 0 410.493 3.032 40 0 HGABRO CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000072344889 558941309 /nfs/dbraw/zinc/94/13/09/558941309.db2.gz FEYAJFSJHUDSSL-LJQANCHMSA-N 1 0 418.563 3.326 40 0 HGABRO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019593237 558944275 /nfs/dbraw/zinc/94/42/75/558944275.db2.gz HYCNNXBSAHFYPV-JTSKRJEESA-N 1 0 403.473 3.466 40 0 HGABRO COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019593234 558944291 /nfs/dbraw/zinc/94/42/91/558944291.db2.gz XPHCJWWZTDRUJM-HTAPYJJXSA-N 1 0 403.473 3.466 40 0 HGABRO C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)NC2CCN(C(=O)C3CC3)CC2)C1 ZINC000072352563 558949147 /nfs/dbraw/zinc/94/91/47/558949147.db2.gz BOMXRRLDJZLMOJ-MRXNPFEDSA-N 1 0 411.571 3.451 40 0 HGABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+]2CCc2ccc(F)cc2)c1 ZINC000072354835 558952240 /nfs/dbraw/zinc/95/22/40/558952240.db2.gz GDWUNZBNZFXNAI-HXUWFJFHSA-N 1 0 405.477 3.343 40 0 HGABRO O=S(=O)(c1ccc(F)cc1)N1CC[N@@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355123 558952377 /nfs/dbraw/zinc/95/23/77/558952377.db2.gz PKCDOZCPJLZKLF-SFHVURJKSA-N 1 0 417.550 3.329 40 0 HGABRO COc1ccccc1CN(Cc1cc2c(cc1C)n(C)c(=O)n2C)C1CC[NH+](C)CC1 ZINC000019662985 558954061 /nfs/dbraw/zinc/95/40/61/558954061.db2.gz ZEMPDYJXRXOQQN-UHFFFAOYSA-N 1 0 422.573 3.290 40 0 HGABRO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000072359110 558954727 /nfs/dbraw/zinc/95/47/27/558954727.db2.gz GESONMXEORMHGU-FQEVSTJZSA-N 1 0 421.545 3.292 40 0 HGABRO CCOC1CCN(C(=O)c2ccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)nc2)CC1 ZINC000019706011 558968539 /nfs/dbraw/zinc/96/85/39/558968539.db2.gz NPFYBJLGFBITDT-HXUWFJFHSA-N 1 0 408.546 3.497 40 0 HGABRO Cc1ccnn1[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000072390500 558970620 /nfs/dbraw/zinc/97/06/20/558970620.db2.gz YGQFGYNPSNYXEM-KRWDZBQOSA-N 1 0 424.524 3.073 40 0 HGABRO COCCOc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c1 ZINC000072395327 558974234 /nfs/dbraw/zinc/97/42/34/558974234.db2.gz PELCPAHKCCECBR-INIZCTEOSA-N 1 0 417.460 3.467 40 0 HGABRO CO[C@H]1CC[C@H](C(=O)NCCn2nc(-c3ccccc3F)cc2C[NH+](C)C)CC1 ZINC000257267062 558995610 /nfs/dbraw/zinc/99/56/10/558995610.db2.gz MFULDIWMBCUHBT-SAABIXHNSA-N 1 0 402.514 3.072 40 0 HGABRO Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)CN4Cc5ccccc5C4)CC3)n2n1 ZINC000257335581 559013158 /nfs/dbraw/zinc/01/31/58/559013158.db2.gz YKWFLWKWFPVGNO-WGSAOQKQSA-N 1 0 403.530 3.444 40 0 HGABRO O=C(Cc1cn[nH]c1)NC1CC2(C1)CC[NH+](Cc1ccc(OCC(F)F)cc1)CC2 ZINC000585102728 559026261 /nfs/dbraw/zinc/02/62/61/559026261.db2.gz CAEYGGJQEVDQTJ-UHFFFAOYSA-N 1 0 418.488 3.157 40 0 HGABRO CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(C)s3)CC2)O1 ZINC000096036869 559090704 /nfs/dbraw/zinc/09/07/04/559090704.db2.gz KGTKTHULXQLWIN-SFHVURJKSA-N 1 0 402.564 3.012 40 0 HGABRO CC[NH+](CC)CCCNC(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 ZINC000096037297 559091081 /nfs/dbraw/zinc/09/10/81/559091081.db2.gz KSFUMVSYDXQXMQ-UHFFFAOYSA-N 1 0 404.518 3.374 40 0 HGABRO C[NH+](C)CCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 ZINC000096037447 559091146 /nfs/dbraw/zinc/09/11/46/559091146.db2.gz YEXYFOLPHKOLNY-UHFFFAOYSA-N 1 0 416.529 3.467 40 0 HGABRO CN1CCN(C(=O)C[C@H]2CC3(CC[NH+](Cc4cccnc4)CC3)c3ccccc32)CC1 ZINC000096052944 559092761 /nfs/dbraw/zinc/09/27/61/559092761.db2.gz RJDOUYJJISJQQG-QFIPXVFZSA-N 1 0 418.585 3.267 40 0 HGABRO CNC(=O)[C@@]12CCC3(CCN(C(=O)Nc4cccc(Cl)c4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096143837 559096286 /nfs/dbraw/zinc/09/62/86/559096286.db2.gz RQOAFAPLMOAMDE-LAUBAEHRSA-N 1 0 404.942 3.042 40 0 HGABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)Nc3cccc(F)c3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144219 559096515 /nfs/dbraw/zinc/09/65/15/559096515.db2.gz JHPVBYJHSZIGCO-HSZRJFAPSA-N 1 0 416.541 3.260 40 0 HGABRO CCN1CC[C@@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2ccc(C)cc2)CC3)C1=O ZINC000096144326 559096658 /nfs/dbraw/zinc/09/66/58/559096658.db2.gz FEXZXRCDCKTUAE-RUZDIDTESA-N 1 0 411.590 3.428 40 0 HGABRO CC(C)n1c2cc(C(=O)N3CCC[N@H+](C)CC3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096146428 559097817 /nfs/dbraw/zinc/09/78/17/559097817.db2.gz LXUBKZFLKAOLAR-UHFFFAOYSA-N 1 0 409.534 3.484 40 0 HGABRO CCC(CC)NC(=O)c1ncn2c1nccc2C1CC[NH+](Cc2cccnc2)CC1 ZINC000096155706 559099879 /nfs/dbraw/zinc/09/98/79/559099879.db2.gz OTSUZUZISFCFBP-UHFFFAOYSA-N 1 0 406.534 3.422 40 0 HGABRO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@H+](CCc1ccc(F)cc1)CC2 ZINC000585261346 559108829 /nfs/dbraw/zinc/10/88/29/559108829.db2.gz HKKSFFSBJFRCHI-UBFVSLLYSA-N 1 0 423.532 3.168 40 0 HGABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1cccs1 ZINC000585263223 559111857 /nfs/dbraw/zinc/11/18/57/559111857.db2.gz OZOBYEUGSYYSRW-TXTKFYIRSA-N 1 0 414.571 3.052 40 0 HGABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269634 559115304 /nfs/dbraw/zinc/11/53/04/559115304.db2.gz DRTISZXPVMHAJE-QHCPKHFHSA-N 1 0 402.510 3.112 40 0 HGABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](CC(=O)NCc3ccc(F)cc3)CC2)c(C)c1 ZINC000585272902 559117089 /nfs/dbraw/zinc/11/70/89/559117089.db2.gz KNTJNJORJLGIAA-DEOSSOPVSA-N 1 0 414.521 3.355 40 0 HGABRO CC(=O)N1CCCC[C@@H]2[C@H]1CCC[N@@H+]2CC1(O)CCN(c2ccccc2F)CC1 ZINC000585285559 559121553 /nfs/dbraw/zinc/12/15/53/559121553.db2.gz ZTIQKQRUQHSBTC-FGZHOGPDSA-N 1 0 403.542 3.022 40 0 HGABRO C[N@@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)c3ccc(Cl)cc3)CC[C@@H]12 ZINC000107183205 559164738 /nfs/dbraw/zinc/16/47/38/559164738.db2.gz QZOIQRPHHILWHL-DENIHFKCSA-N 1 0 412.921 3.300 40 0 HGABRO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)c(C)c1 ZINC000257315016 559282939 /nfs/dbraw/zinc/28/29/39/559282939.db2.gz UZNKRNMOOGIIAT-OAQYLSRUSA-N 1 0 409.530 3.488 40 0 HGABRO O[C@@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCCn3ccnc3)c2)C1 ZINC000257328651 559283149 /nfs/dbraw/zinc/28/31/49/559283149.db2.gz XGOPGAGAHXOODP-DEOSSOPVSA-N 1 0 407.514 3.368 40 0 HGABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)CC(C)(C)C)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257267189 559284859 /nfs/dbraw/zinc/28/48/59/559284859.db2.gz MGHIDEQBOGDQJF-HWBMXIPRSA-N 1 0 415.622 3.028 40 0 HGABRO Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccccc2)c1 ZINC000409056444 560670360 /nfs/dbraw/zinc/67/03/60/560670360.db2.gz GOKDFCIEXDHKQE-NXTBZVMJSA-O 1 0 402.449 3.150 40 0 HGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccccc2)cc1 ZINC000409059433 560670976 /nfs/dbraw/zinc/67/09/76/560670976.db2.gz NFZLFGAHROXXHS-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@@H]1c1ccccc1 ZINC000409055521 560671548 /nfs/dbraw/zinc/67/15/48/560671548.db2.gz CIUAMOWWHMPKBR-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409061575 560671740 /nfs/dbraw/zinc/67/17/40/560671740.db2.gz FXJSUONEGDLKHO-VNGKGULCSA-O 1 0 416.476 3.459 40 0 HGABRO Cc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000409062308 560671811 /nfs/dbraw/zinc/67/18/11/560671811.db2.gz RMXPIMUBOBJMOX-KSYIGNPDSA-O 1 0 402.449 3.150 40 0 HGABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2C)cc1 ZINC000010112485 560764161 /nfs/dbraw/zinc/76/41/61/560764161.db2.gz SASDGRBUATZDQQ-UHFFFAOYSA-N 1 0 415.559 3.320 40 0 HGABRO COc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC3CCCCC3)cc2c1 ZINC000012709939 560786302 /nfs/dbraw/zinc/78/63/02/560786302.db2.gz XZMPAIJUAHTVPS-UHFFFAOYSA-N 1 0 416.591 3.108 40 0 HGABRO CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)CC1 ZINC000014154387 560839946 /nfs/dbraw/zinc/83/99/46/560839946.db2.gz YWALPURCQBDBDF-UHFFFAOYSA-N 1 0 415.559 3.190 40 0 HGABRO c1ccc(Cn2nnnc2[C@@H](c2cccnc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019363508 560872737 /nfs/dbraw/zinc/87/27/37/560872737.db2.gz PQYHSKFDBZABDY-HSZRJFAPSA-N 1 0 417.561 3.156 40 0 HGABRO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000019530027 560873955 /nfs/dbraw/zinc/87/39/55/560873955.db2.gz ZFGKKZFWXMIMPI-NYDSKATKSA-N 1 0 418.509 3.391 40 0 HGABRO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000020141226 560881573 /nfs/dbraw/zinc/88/15/73/560881573.db2.gz NQMKFYLZLMRUJF-FQEVSTJZSA-N 1 0 414.916 3.241 40 0 HGABRO COc1cc(CNCC[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccccc1 ZINC000022075129 568473983 /nfs/dbraw/zinc/47/39/83/568473983.db2.gz DXZPEPNZUFWJDX-HNNXBMFYSA-N 1 0 423.351 3.097 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218533678 568481473 /nfs/dbraw/zinc/48/14/73/568481473.db2.gz SRMQAWYJNWDINO-BJLQDIEVSA-N 1 0 407.919 3.096 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000223218762 568541388 /nfs/dbraw/zinc/54/13/88/568541388.db2.gz SXXBELILSLTARD-FCHUYYIVSA-N 1 0 420.586 3.251 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 ZINC000223240528 568542351 /nfs/dbraw/zinc/54/23/51/568542351.db2.gz UIMDSFULHUEBFI-YADHBBJMSA-N 1 0 420.586 3.251 40 0 HGABRO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000223321454 568545253 /nfs/dbraw/zinc/54/52/53/568545253.db2.gz QKCYXHYGVYUUSV-FXBPSFAMSA-N 1 0 411.502 3.051 40 0 HGABRO COC(=O)c1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1Cl ZINC000224636860 568589766 /nfs/dbraw/zinc/58/97/66/568589766.db2.gz OXGZWXSVVALWPY-UHFFFAOYSA-N 1 0 422.934 3.201 40 0 HGABRO Cc1cc(C)cc(N(CCCC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)S(C)(=O)=O)c1 ZINC000225528565 568647479 /nfs/dbraw/zinc/64/74/79/568647479.db2.gz WVSMOCUNTQZXTM-GOSISDBHSA-N 1 0 423.623 3.088 40 0 HGABRO COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000225611272 568656842 /nfs/dbraw/zinc/65/68/42/568656842.db2.gz MKEKJDLTJXUOTQ-SILNSSARSA-N 1 0 413.543 3.130 40 0 HGABRO CC(C)n1c2ccc(S(=O)(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)cc2sc1=O ZINC000225717731 568667204 /nfs/dbraw/zinc/66/72/04/568667204.db2.gz QADILPLIDMYTGM-OAHLLOKOSA-N 1 0 411.593 3.044 40 0 HGABRO CNC(=O)c1sc2nc([C@]3(C)CCC[N@H+](CC4CCOCC4)C3)ccc2c1N ZINC000257234042 568785921 /nfs/dbraw/zinc/78/59/21/568785921.db2.gz GRWAWUBFRCCUOE-OAQYLSRUSA-N 1 0 402.564 3.018 40 0 HGABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257262854 568793699 /nfs/dbraw/zinc/79/36/99/568793699.db2.gz LNESPIAHVJIMAX-IBGZPJMESA-N 1 0 418.545 3.498 40 0 HGABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)cc1 ZINC000257273820 568796740 /nfs/dbraw/zinc/79/67/40/568796740.db2.gz NIJANKKIDCLYMT-QHCPKHFHSA-N 1 0 414.550 3.031 40 0 HGABRO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@H+](CCc1ccccc1)CC2 ZINC000257282111 568799141 /nfs/dbraw/zinc/79/91/41/568799141.db2.gz OSJLYJMYZZOKEB-UBFVSLLYSA-N 1 0 405.542 3.029 40 0 HGABRO CCc1nnc(Nc2cccc([C@H]3CCCN(C(=O)CC[NH+]4CCCC4)C3)n2)s1 ZINC000257289881 568801379 /nfs/dbraw/zinc/80/13/79/568801379.db2.gz QAOFELNOJAKAEU-INIZCTEOSA-N 1 0 414.579 3.431 40 0 HGABRO CSCC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257300752 568804612 /nfs/dbraw/zinc/80/46/12/568804612.db2.gz RVOQANXPSPPFAD-SEEKVXKWSA-N 1 0 404.576 3.233 40 0 HGABRO C[N@H+](CCC(=O)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1)Cc1cccnc1 ZINC000257303444 568805407 /nfs/dbraw/zinc/80/54/07/568805407.db2.gz SHGVTTGNAFRUSG-FQEVSTJZSA-N 1 0 422.508 3.115 40 0 HGABRO Cc1ccc(F)cc1NC(=O)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257306437 568806464 /nfs/dbraw/zinc/80/64/64/568806464.db2.gz SUHAJTMBDKSTJU-UPVQGACJSA-N 1 0 411.521 3.174 40 0 HGABRO CCc1c2cc(C)ccc2[nH]c1C(=O)N1CCC2(CC1)C[C@H]([NH+](C)C)[C@@](C)(O)CO2 ZINC000257314627 568808755 /nfs/dbraw/zinc/80/87/55/568808755.db2.gz UXTBLDBSJBXCGG-REWPJTCUSA-N 1 0 413.562 3.115 40 0 HGABRO c1cn2cc(C[C@@H]3COCC[N@H+](Cc4ccccc4N4CCCCC4)C3)ncc2n1 ZINC000257334382 568814434 /nfs/dbraw/zinc/81/44/34/568814434.db2.gz YFQUBHQZNNXZAI-FQEVSTJZSA-N 1 0 405.546 3.411 40 0 HGABRO COCCOCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@H]2Cc1ccccc1 ZINC000257340947 568816278 /nfs/dbraw/zinc/81/62/78/568816278.db2.gz ZIFWHRSSGDHMOQ-QMDPOKHVSA-N 1 0 400.563 3.125 40 0 HGABRO COc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccncc5)CCO4)nnn3c2)cc1 ZINC000306124280 568887194 /nfs/dbraw/zinc/88/71/94/568887194.db2.gz BLMSVKBLXAFTIB-QFIPXVFZSA-N 1 0 401.470 3.373 40 0 HGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccco3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306125587 568888411 /nfs/dbraw/zinc/88/84/11/568888411.db2.gz CVBLCHSCFSZWEY-QPPBQGQZSA-N 1 0 419.529 3.470 40 0 HGABRO Cc1cc(C)cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)c1 ZINC000306127650 568890444 /nfs/dbraw/zinc/89/04/44/568890444.db2.gz GEBFPOKBYIOBEZ-ZCYQVOJMSA-N 1 0 405.542 3.305 40 0 HGABRO Cc1cccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)n1 ZINC000306136946 568898945 /nfs/dbraw/zinc/89/89/45/568898945.db2.gz QHECZGXJEKIDMM-ZJSXRUAMSA-N 1 0 407.562 3.396 40 0 HGABRO Cc1ccc(C(=O)NC[C@@H]2CC[C@]3(COCC[N@H+](Cc4cccs4)C3)O2)cc1 ZINC000306137490 568899389 /nfs/dbraw/zinc/89/93/89/568899389.db2.gz QXRIRPBAVVWQMS-UGKGYDQZSA-N 1 0 400.544 3.237 40 0 HGABRO COC[C@@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218228977 568928489 /nfs/dbraw/zinc/92/84/89/568928489.db2.gz FZKUGDLVSLHEID-FHWLQOOXSA-N 1 0 424.360 3.289 40 0 HGABRO Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccncc2)nc(NCC[NH+](C)C)n1 ZINC000329035830 568974006 /nfs/dbraw/zinc/97/40/06/568974006.db2.gz RFSIIBMHCUATPP-UHFFFAOYSA-N 1 0 416.451 3.427 40 0 HGABRO OCCCNc1cc(N2CCc3cc(Br)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329044249 568974415 /nfs/dbraw/zinc/97/44/15/568974415.db2.gz SVQITPLXFDTJSJ-UHFFFAOYSA-N 1 0 403.324 3.474 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2cccnc2)n1 ZINC000329057810 568974846 /nfs/dbraw/zinc/97/48/46/568974846.db2.gz VZWUUXMFUNVHHJ-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO C[C@@]1(N(CC[NH2+]Cc2cccc(F)c2)Cc2cccc(F)c2)CCS(=O)(=O)C1 ZINC000575421176 569025789 /nfs/dbraw/zinc/02/57/89/569025789.db2.gz NGUKZTMSSZSAEJ-OAQYLSRUSA-N 1 0 408.514 3.134 40 0 HGABRO CC[NH+]1CCN(c2ccc(NCc3cc4cc(OC)c(OC)cc4[nH]c3=O)cc2)CC1 ZINC000013564182 569052026 /nfs/dbraw/zinc/05/20/26/569052026.db2.gz MGKNDDLVXIICAD-UHFFFAOYSA-N 1 0 422.529 3.299 40 0 HGABRO COc1ccc(Br)cc1C(=O)Nc1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000226259579 569278689 /nfs/dbraw/zinc/27/86/89/569278689.db2.gz RJKQWVYMJYHAHC-UHFFFAOYSA-N 1 0 419.323 3.044 40 0 HGABRO COCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009062721 569342214 /nfs/dbraw/zinc/34/22/14/569342214.db2.gz OAOARRZADGEGFF-UHFFFAOYSA-N 1 0 413.493 3.053 40 0 HGABRO COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010329600 569343759 /nfs/dbraw/zinc/34/37/59/569343759.db2.gz USYOFIYGLPWNDR-UHFFFAOYSA-N 1 0 410.470 3.498 40 0 HGABRO CC(=O)N1CCC([NH+]2CCC3(CC2)CC=CCN(Cc2ccc(F)cc2)C3=O)CC1 ZINC000019742695 569348735 /nfs/dbraw/zinc/34/87/35/569348735.db2.gz XTBGKMNVGRDDHQ-UHFFFAOYSA-N 1 0 413.537 3.207 40 0 HGABRO CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCC[NH+]1CCN(Cc3ccccc3)CC1)C2=O ZINC000019367298 569420440 /nfs/dbraw/zinc/42/04/40/569420440.db2.gz XTGMLDFXCZWGIX-BWKNWUBXSA-N 1 0 411.590 3.396 40 0 HGABRO O=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CC[NH2+]C1CCCCC1 ZINC000019697832 569428542 /nfs/dbraw/zinc/42/85/42/569428542.db2.gz PHWUWZHOQHDAGO-UHFFFAOYSA-N 1 0 409.534 3.030 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccc2)n1 ZINC000329002864 571304695 /nfs/dbraw/zinc/30/46/95/571304695.db2.gz KKIFELXQETWXNG-UHFFFAOYSA-N 1 0 418.545 3.697 40 0 HGABRO CC(C)c1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NCCCO)[nH+]1 ZINC000329014749 571306344 /nfs/dbraw/zinc/30/63/44/571306344.db2.gz MXKAHRWPWBMJLK-UHFFFAOYSA-N 1 0 410.440 3.856 40 0 HGABRO Cc1cnc(Nc2nc(C3CCN(C(=O)[C@H]4CCCC[NH2+]4)CC3)cn3cccc23)s1 ZINC000585263388 571309504 /nfs/dbraw/zinc/30/95/04/571309504.db2.gz YDEDAXFKSFJXON-QGZVFWFLSA-N 1 0 424.574 3.691 40 0 HGABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccccc4F)CCN3C(C)(C)C2)cc1 ZINC000253405711 291240178 /nfs/dbraw/zinc/24/01/78/291240178.db2.gz TUIBPGVYMPVNDA-LJQANCHMSA-N 1 0 411.521 3.255 40 0 biogenic,in-vitro HGABRO CC(C)c1ccc(OCCOC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000040373302 519838204 /nfs/dbraw/zinc/83/82/04/519838204.db2.gz ZTBDWELRIPVKSV-XMMPIXPASA-N 1 0 412.574 3.384 40 0 HGABRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(I)cc3)cc2)CC1 ZINC000032896557 523927607 /nfs/dbraw/zinc/92/76/07/523927607.db2.gz JHHJUTOKJGEPTD-UHFFFAOYSA-N 1 0 421.282 3.295 40 0 HGABRO CCOc1cccc(C[NH2+]CCCSc2nnnn2C)c1OCc1ccccc1 ZINC000007540514 557746164 /nfs/dbraw/zinc/74/61/64/557746164.db2.gz VOGFNTBZDRTSFO-UHFFFAOYSA-N 1 0 413.547 3.460 40 0 HGABRO COc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCc1ccccc1C ZINC000007541540 557746385 /nfs/dbraw/zinc/74/63/85/557746385.db2.gz MANOKGAFAFVMGX-UHFFFAOYSA-N 1 0 413.547 3.378 40 0 HGABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccccc2I)C1 ZINC000010542908 558258979 /nfs/dbraw/zinc/25/89/79/558258979.db2.gz MQOZGZAUGIFGSV-KBPBESRZSA-N 1 0 400.304 3.389 40 0 HGABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](c2nc(C)c3c(n2)N(C)C(=O)CC3)C1 ZINC000019741502 558261965 /nfs/dbraw/zinc/26/19/65/558261965.db2.gz XQRPEWRPAIVHGZ-SFHVURJKSA-N 1 0 410.566 3.468 40 0 HGABRO C[C@H](CC[NH+]1CCC(Cc2nn(C)cc2C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000019756408 558274412 /nfs/dbraw/zinc/27/44/12/558274412.db2.gz PGOOJKVOQWJEAV-HXUWFJFHSA-N 1 0 424.589 3.341 40 0 HGABRO Cc1cccn2c(NC(C)(C)C)c(C3CCN(C(=O)[C@@H]4CC(=O)N(C)C4)CC3)[nH+]c12 ZINC000012128021 558331594 /nfs/dbraw/zinc/33/15/94/558331594.db2.gz SDIRGSWMFPOIFU-QGZVFWFLSA-N 1 0 411.550 3.037 40 0 HGABRO O=C(NCCC[NH+]1CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020105285 558332967 /nfs/dbraw/zinc/33/29/67/558332967.db2.gz DXROZGHHOMGHAK-UHFFFAOYSA-N 1 0 421.950 3.357 40 0 HGABRO CC(C)N(C(=O)C[NH+]1CCC(n2nc(-c3cccs3)ccc2=O)CC1)C(C)C ZINC000012183491 558343825 /nfs/dbraw/zinc/34/38/25/558343825.db2.gz XEWTVFBYPSKDGD-UHFFFAOYSA-N 1 0 402.564 3.254 40 0 HGABRO COc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1CN1CCOCC1 ZINC000012240417 558360071 /nfs/dbraw/zinc/36/00/71/558360071.db2.gz NAMPEJURBLGBAX-UHFFFAOYSA-N 1 0 414.521 3.150 40 0 HGABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1OC ZINC000012329679 558384630 /nfs/dbraw/zinc/38/46/30/558384630.db2.gz JGKMQMAJQMCTGP-PMACEKPBSA-N 1 0 413.514 3.396 40 0 HGABRO O=C(NCCC[NH+]1CCCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000013674897 558564070 /nfs/dbraw/zinc/56/40/70/558564070.db2.gz GURZHHTWQFDRBI-UHFFFAOYSA-N 1 0 415.559 3.483 40 0 HGABRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2F)cc1 ZINC000016449702 558792238 /nfs/dbraw/zinc/79/22/38/558792238.db2.gz OFIJDLULCUXSPY-UHFFFAOYSA-N 1 0 414.502 3.384 40 0 HGABRO COc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 ZINC000035590750 558793875 /nfs/dbraw/zinc/79/38/75/558793875.db2.gz SWFMYEJWXJGCLJ-FSNSLZAISA-N 1 0 402.579 3.410 40 0 HGABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2cccc(CN3CCOCC3)c2)CC1 ZINC000038831209 558816730 /nfs/dbraw/zinc/81/67/30/558816730.db2.gz OWVWJCYBMTVDHB-UHFFFAOYSA-N 1 0 421.585 3.356 40 0 HGABRO O=C(NCc1cccc(CN2CCOCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000038831189 558816773 /nfs/dbraw/zinc/81/67/73/558816773.db2.gz VOXYARQBNLCVRU-UHFFFAOYSA-N 1 0 407.558 3.047 40 0 HGABRO C[C@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)[NH+]1CCCCC1 ZINC000019080253 558839065 /nfs/dbraw/zinc/83/90/65/558839065.db2.gz SIVANCYIBBKWSC-MRXNPFEDSA-N 1 0 410.547 3.059 40 0 HGABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[N@H+]3CCC[C@H](C)C3)CC1)N2 ZINC000019128713 558844992 /nfs/dbraw/zinc/84/49/92/558844992.db2.gz SCTCSRYJWGZAEK-JCGIZDLHSA-N 1 0 409.525 3.152 40 0 HGABRO Cc1ccccc1C[N@H+]1C[C@@H](C(=O)NC(C)C)[C@H](c2ccnc(N3CCCC3)n2)C1 ZINC000019237267 558856496 /nfs/dbraw/zinc/85/64/96/558856496.db2.gz NKRWEJJWXFEZTE-NHCUHLMSSA-N 1 0 407.562 3.125 40 0 HGABRO Cc1cc(Br)c2c(c1)[C@@H](O)C(CN1CCCC1)(C[NH+]1CCCC1)CO2 ZINC000055120893 558873264 /nfs/dbraw/zinc/87/32/64/558873264.db2.gz PDXQJJMYQWQJPI-LJQANCHMSA-N 1 0 409.368 3.361 40 0 HGABRO O=C(Nc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000019349108 558874811 /nfs/dbraw/zinc/87/48/11/558874811.db2.gz CGULCLHTZHHVBE-OAQYLSRUSA-N 1 0 406.530 3.445 40 0 HGABRO O=C(Cc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019370115 558878189 /nfs/dbraw/zinc/87/81/89/558878189.db2.gz ZWHPRKMKBHVMHC-IBGZPJMESA-N 1 0 420.557 3.019 40 0 HGABRO O=C1CCCN1c1ccc(C[N@@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)cc1 ZINC000019402264 558883721 /nfs/dbraw/zinc/88/37/21/558883721.db2.gz MUHHENQRBQNMFI-SQJMNOBHSA-N 1 0 418.541 3.237 40 0 HGABRO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000019403146 558884183 /nfs/dbraw/zinc/88/41/83/558884183.db2.gz KQGUUOXIMTWCHL-UHFFFAOYSA-N 1 0 416.403 3.331 40 0 HGABRO CC(C)[N@@H+]1CCc2c(=O)[nH]c([C@H]3CCCN3C(=O)C3(c4ccccc4)CC3)nc2C1 ZINC000019448387 558887413 /nfs/dbraw/zinc/88/74/13/558887413.db2.gz POSBZNIBAKXAJO-HXUWFJFHSA-N 1 0 406.530 3.344 40 0 HGABRO CC(=O)N[C@H]1c2ccccc2CC[C@@]12C[N@@H+](Cc1ccccc1)C[C@@H]2C(=O)NC(C)C ZINC000019449788 558888519 /nfs/dbraw/zinc/88/85/19/558888519.db2.gz VJMXMHSFPSMDPT-USZFVNFHSA-N 1 0 419.569 3.453 40 0 HGABRO CC[NH+](CC)[C@H](C(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2)c1ccccc1 ZINC000057796490 558890463 /nfs/dbraw/zinc/89/04/63/558890463.db2.gz OBJFQSKMJMGILD-NRFANRHFSA-N 1 0 407.514 3.211 40 0 HGABRO Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]C[C@H]3COc4ccccc4O3)cc12 ZINC000057810311 558890659 /nfs/dbraw/zinc/89/06/59/558890659.db2.gz TUPXMHWKJIJXNO-SFHVURJKSA-N 1 0 420.444 3.091 40 0 HGABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)c4ccccn4)[nH]c(=O)c3C2)CC1 ZINC000019496003 558894760 /nfs/dbraw/zinc/89/47/60/558894760.db2.gz RUAJNDJQTKWXQR-BPZDKFOGSA-N 1 0 421.545 3.491 40 0 HGABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)c1OC ZINC000019567783 558927043 /nfs/dbraw/zinc/92/70/43/558927043.db2.gz CKVUKASEEAUBQC-CYBMUJFWSA-N 1 0 403.433 3.459 40 0 HGABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(C(=O)NCc3ccncc3)on2)C1 ZINC000019570309 558929303 /nfs/dbraw/zinc/92/93/03/558929303.db2.gz NHMPQEIFWHGLOZ-GOSISDBHSA-N 1 0 406.486 3.388 40 0 HGABRO Cc1[nH]nc2oc(=O)c(CC(=O)NC[C@H](c3ccccc3)[NH+]3CCC(C)CC3)c(C)c12 ZINC000019577214 558933100 /nfs/dbraw/zinc/93/31/00/558933100.db2.gz DQOJKYYWRPOZRL-HXUWFJFHSA-N 1 0 422.529 3.265 40 0 HGABRO Cn1cc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cn1 ZINC000072330478 558934788 /nfs/dbraw/zinc/93/47/88/558934788.db2.gz PKBWIODTSVJKRX-URXFXBBRSA-N 1 0 403.530 3.127 40 0 HGABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H](c2ccnc3ncnn32)C1 ZINC000072334865 558935895 /nfs/dbraw/zinc/93/58/95/558935895.db2.gz LPIVCUXDKPMBIB-FQEVSTJZSA-N 1 0 404.518 3.130 40 0 HGABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000072345901 558942482 /nfs/dbraw/zinc/94/24/82/558942482.db2.gz CQLGSAYMSPGHGD-GOSISDBHSA-N 1 0 405.477 3.343 40 0 HGABRO COCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)cc1OC ZINC000019593757 558944851 /nfs/dbraw/zinc/94/48/51/558944851.db2.gz INMOPQUSYKOJAN-XMMPIXPASA-N 1 0 410.514 3.041 40 0 HGABRO COc1cccc([C@H](CNC(=O)c2cn(C)c(=O)c3ccccc23)[NH+]2CCCC2)c1 ZINC000019663830 558954670 /nfs/dbraw/zinc/95/46/70/558954670.db2.gz WQLAYZHKYSFMJM-QFIPXVFZSA-N 1 0 405.498 3.114 40 0 HGABRO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 ZINC000072373099 558960880 /nfs/dbraw/zinc/96/08/80/558960880.db2.gz CYTBWQLIRQCWPO-FPOVZHCZSA-N 1 0 422.573 3.021 40 0 HGABRO O=C(C[NH+]1CCCC1)N1CCC[C@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1 ZINC000072374531 558962229 /nfs/dbraw/zinc/96/22/29/558962229.db2.gz HXJAPFAJLOSKKP-FQEVSTJZSA-N 1 0 404.518 3.329 40 0 HGABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000019694674 558963277 /nfs/dbraw/zinc/96/32/77/558963277.db2.gz GNDNBASDGTZEEG-SFHVURJKSA-N 1 0 413.541 3.397 40 0 HGABRO O=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CC[NH2+]C[C@H]1CC=CCC1 ZINC000019697816 558965490 /nfs/dbraw/zinc/96/54/90/558965490.db2.gz YRHUNWXQQCNTLH-IBGZPJMESA-N 1 0 421.545 3.054 40 0 HGABRO C[NH+]1CCC(C(=O)N2CCC[C@H]2c2cc(CCOc3ccccc3F)n[nH]2)CC1 ZINC000019703772 558967941 /nfs/dbraw/zinc/96/79/41/558967941.db2.gz SJTMLORITBZBBG-FQEVSTJZSA-N 1 0 400.498 3.176 40 0 HGABRO CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)CCc2cccc(Cl)c2)n1 ZINC000019710033 558971822 /nfs/dbraw/zinc/97/18/22/558971822.db2.gz YOKXPQQGSDKMJV-QGZVFWFLSA-N 1 0 415.969 3.254 40 0 HGABRO CCC(=O)N[C@H]1C[N@@H+](Cc2cn(CC)nc2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395726 558974758 /nfs/dbraw/zinc/97/47/58/558974758.db2.gz PELCWEGBVLFDCP-YADHBBJMSA-N 1 0 423.561 3.206 40 0 HGABRO Cc1cn2c(ncc(C(=O)Nc3cc(C)ccc3OCC[NH+]3CCCC3)c2=O)s1 ZINC000019717150 558979509 /nfs/dbraw/zinc/97/95/09/558979509.db2.gz WNGKMGUOIIQCSD-UHFFFAOYSA-N 1 0 412.515 3.100 40 0 HGABRO Cc1c(C(=O)Nc2cc(C)ccc2OCC[NH+]2CCCC2)sc2[nH]cnc(=O)c12 ZINC000019717812 558980779 /nfs/dbraw/zinc/98/07/79/558980779.db2.gz SMRHVDOBRMQTRA-UHFFFAOYSA-N 1 0 412.515 3.328 40 0 HGABRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CCS(C)(=O)=O)CC2)cc1 ZINC000585100076 559023747 /nfs/dbraw/zinc/02/37/47/559023747.db2.gz FAESMUOLYQFHKT-JOCHJYFZSA-N 1 0 406.592 3.202 40 0 HGABRO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCCN2C(=O)CNC(=O)c2ccccc2)CC1 ZINC000585100470 559024017 /nfs/dbraw/zinc/02/40/17/559024017.db2.gz KZGANLZVVDFTFF-XMMPIXPASA-N 1 0 424.545 3.069 40 0 HGABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@@H](C)C4)C3)CC2)c1 ZINC000585104886 559027526 /nfs/dbraw/zinc/02/75/26/559027526.db2.gz VVCICVFJPCKLQH-GCJKJVERSA-N 1 0 416.562 3.447 40 0 HGABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052803 559092475 /nfs/dbraw/zinc/09/24/75/559092475.db2.gz YTQPECKHCFAVQU-GOSISDBHSA-N 1 0 411.571 3.413 40 0 HGABRO CC(C)CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cnn(C)c3)CC2)Oc2ccccc21 ZINC000096053513 559093575 /nfs/dbraw/zinc/09/35/75/559093575.db2.gz PUEZNTPSZAASHP-FQEVSTJZSA-N 1 0 410.562 3.483 40 0 HGABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1cccnc1)CCC2 ZINC000096056084 559093846 /nfs/dbraw/zinc/09/38/46/559093846.db2.gz CWXBCFVTFJGVIF-URXFXBBRSA-N 1 0 408.546 3.062 40 0 HGABRO COCCN(C)c1nc(C2CC[NH+](Cc3ccc(OC)cc3)CC2)cc2c1ncn2C ZINC000096099964 559095234 /nfs/dbraw/zinc/09/52/34/559095234.db2.gz XDMOJHHUFJSNFR-UHFFFAOYSA-N 1 0 423.561 3.439 40 0 HGABRO COc1cccc(CC(=O)N2CC[C@H]3[N@H+](C)CC[C@@]3(C(=O)Nc3ccccc3)CC2)c1 ZINC000096145277 559097216 /nfs/dbraw/zinc/09/72/16/559097216.db2.gz RXVRKMZKUYPCJN-RCZVLFRGSA-N 1 0 421.541 3.189 40 0 HGABRO CN(C)C(=O)n1c(C(=O)N2CCC([NH+]3CCCC3)CC2)cc2c1c1ccccc1n2C ZINC000096146317 559097769 /nfs/dbraw/zinc/09/77/69/559097769.db2.gz CDROZTROJQCJGY-UHFFFAOYSA-N 1 0 421.545 3.363 40 0 HGABRO CC(C)CN(C)C(=O)c1cnc(-c2noc3cc(N4CC[NH+](C)CC4)ccc32)s1 ZINC000096154602 559098986 /nfs/dbraw/zinc/09/89/86/559098986.db2.gz LPUXDJNUUOGDMB-UHFFFAOYSA-N 1 0 413.547 3.431 40 0 HGABRO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC000096245396 559105051 /nfs/dbraw/zinc/10/50/51/559105051.db2.gz AMROHVSSEUFAAR-CALCHBBNSA-N 1 0 410.461 3.458 40 0 HGABRO Cc1csc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)nc(C)n2)n1 ZINC000585291726 559123997 /nfs/dbraw/zinc/12/39/97/559123997.db2.gz FJBWDIOXXVTRJQ-UGAXZCSASA-N 1 0 400.552 3.465 40 0 HGABRO C[C@@H]1[C@H]2CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]3[C@@H]2C[N@@H+]2CCCC[C@@H]12 ZINC000103565471 559156413 /nfs/dbraw/zinc/15/64/13/559156413.db2.gz LENMDDFRAPDCRB-PIONYDCHSA-N 1 0 417.634 3.432 40 0 HGABRO CC(C)(C)CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257333097 559283258 /nfs/dbraw/zinc/28/32/58/559283258.db2.gz YADLITRKJBPCNR-PQNGQFLHSA-N 1 0 402.579 3.113 40 0 HGABRO CCC(CC)C(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257232927 559283933 /nfs/dbraw/zinc/28/39/33/559283933.db2.gz GMZMKIQNPJSAQB-WPFOTENUSA-N 1 0 402.579 3.113 40 0 HGABRO CC(C)NC(=O)c1cc([C@H]2CC[C@H](CNC(=O)C[NH+](C)C)CC2)nc2ccccc21 ZINC000257366953 559286485 /nfs/dbraw/zinc/28/64/85/559286485.db2.gz RFXAWOPFNWRCLU-IYARVYRRSA-N 1 0 410.562 3.325 40 0 HGABRO C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccncc2)n1CCC[NH+](C)C ZINC000004130373 560599540 /nfs/dbraw/zinc/59/95/40/560599540.db2.gz RBTROSDHSMXYNG-AEFFLSMTSA-N 1 0 416.595 3.079 40 0 HGABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=S)NCC(C)C)cc12 ZINC000004161992 560602127 /nfs/dbraw/zinc/60/21/27/560602127.db2.gz ZWZFEZJAUFPDJY-UHFFFAOYSA-N 1 0 402.608 3.429 40 0 HGABRO Cc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409053447 560669857 /nfs/dbraw/zinc/66/98/57/560669857.db2.gz KCORKLIGJJGTQS-WXUIRWOTSA-O 1 0 402.449 3.150 40 0 HGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409058592 560670796 /nfs/dbraw/zinc/67/07/96/560670796.db2.gz TTZURWNJSDDGEE-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO Cc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409055241 560671559 /nfs/dbraw/zinc/67/15/59/560671559.db2.gz KPGPSFBRTPMUJR-DCFWFYTKSA-O 1 0 402.449 3.150 40 0 HGABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409061008 560672763 /nfs/dbraw/zinc/67/27/63/560672763.db2.gz BJKVTOLIPYXWHE-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409061248 560672798 /nfs/dbraw/zinc/67/27/98/560672798.db2.gz YKQRUXYMWNLIAA-UGYRXPJGSA-O 1 0 404.877 3.356 40 0 HGABRO O=C(CCN1Cc2ccccc2C1=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409414332 560723270 /nfs/dbraw/zinc/72/32/70/560723270.db2.gz KMWOXVJLEQBKSZ-SWXWDQRWSA-N 1 0 419.569 3.454 40 0 HGABRO COC(=O)[C@@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000104141760 560735253 /nfs/dbraw/zinc/73/52/53/560735253.db2.gz BXXHLOUIOGUWCB-OKYOBFRVSA-N 1 0 408.841 3.028 40 0 HGABRO Cc1c(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c(=O)n(-c2ccccc2)n1C ZINC000009063482 560757404 /nfs/dbraw/zinc/75/74/04/560757404.db2.gz RQRIWTNLVRFBMR-UHFFFAOYSA-N 1 0 422.504 3.474 40 0 HGABRO CC(C)(C)n1ccc(C[NH+]2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1 ZINC000014001563 560837330 /nfs/dbraw/zinc/83/73/30/560837330.db2.gz ZJNIBPVYAXILPN-HXUWFJFHSA-N 1 0 402.564 3.185 40 0 HGABRO COc1ccc(S(=O)(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)cc1 ZINC000169677948 560854162 /nfs/dbraw/zinc/85/41/62/560854162.db2.gz OEHFYGYYYQJAMU-JZZBYWGLSA-N 1 0 402.560 3.279 40 0 HGABRO COc1ccc(O)cc1OCC[NH2+]C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000002528510 560870687 /nfs/dbraw/zinc/87/06/87/560870687.db2.gz PVUVZUBTCLBJMT-KRWDZBQOSA-N 1 0 422.481 3.444 40 0 endogenous,world HGABRO CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000006553813 568455623 /nfs/dbraw/zinc/45/56/23/568455623.db2.gz NHZZGNAMAAEEJA-IGKWTDBASA-N 1 0 416.562 3.472 40 0 HGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382161 568489367 /nfs/dbraw/zinc/48/93/67/568489367.db2.gz IFLWZJHSZZHLBY-HNBVOPMISA-N 1 0 421.463 3.063 40 0 biogenic,in-vitro HGABRO CC(C)n1cccc1C[NH+]1CCC2(CC1)CN(C(=O)c1cccs1)NC(=O)O2 ZINC000057773462 568497730 /nfs/dbraw/zinc/49/77/30/568497730.db2.gz JUUCUMBZBFMXMP-UHFFFAOYSA-N 1 0 402.520 3.262 40 0 HGABRO CC[C@H](OC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000022870640 568500415 /nfs/dbraw/zinc/50/04/15/568500415.db2.gz BURKISBUYAVOCA-VXKWHMMOSA-N 1 0 412.530 3.062 40 0 HGABRO O=C(NCc1nc(-c2cccs2)no1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222600464 568520013 /nfs/dbraw/zinc/52/00/13/568520013.db2.gz IMDVUHVUWVASDA-OAHLLOKOSA-N 1 0 400.479 3.466 40 0 HGABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 ZINC000223253750 568542670 /nfs/dbraw/zinc/54/26/70/568542670.db2.gz FWIDIAQASONVME-LSDHHAIUSA-N 1 0 411.394 3.440 40 0 HGABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000223279882 568544026 /nfs/dbraw/zinc/54/40/26/568544026.db2.gz WEAFRXZXXLMPLT-NHCUHLMSSA-N 1 0 407.543 3.112 40 0 HGABRO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1C[C@@H]1CCCO1 ZINC000223299410 568544500 /nfs/dbraw/zinc/54/45/00/568544500.db2.gz VAWSLDHIIGMQII-YYWHXJBOSA-N 1 0 405.527 3.419 40 0 HGABRO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1NS(C)(=O)=O ZINC000224668433 568591584 /nfs/dbraw/zinc/59/15/84/568591584.db2.gz REKDDQPZWGNCNN-UHFFFAOYSA-N 1 0 415.559 3.282 40 0 HGABRO OCc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(NCc4ccccc4)nc23)cc1 ZINC000247945959 568746202 /nfs/dbraw/zinc/74/62/02/568746202.db2.gz QXGYADVRXUGFAP-RUZDIDTESA-N 1 0 416.525 3.255 40 0 HGABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)c1ccccc1 ZINC000257204490 568777573 /nfs/dbraw/zinc/77/75/73/568777573.db2.gz AUWCPAYJOZULOG-GNKBHMEESA-N 1 0 422.569 3.115 40 0 HGABRO CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)C[N@H+](C)C3CCCC3)CCO2)n1 ZINC000257211368 568779365 /nfs/dbraw/zinc/77/93/65/568779365.db2.gz BYPPROLALPACCR-OAQYLSRUSA-N 1 0 412.534 3.382 40 0 HGABRO CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)CC[N@H+](C)Cc2cccnc2)n1 ZINC000257216203 568780766 /nfs/dbraw/zinc/78/07/66/568780766.db2.gz CTNVSXKSCBBIKW-OAQYLSRUSA-N 1 0 418.545 3.410 40 0 HGABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)CN4CCCC4=O)C3)c2)cc1 ZINC000257247856 568789656 /nfs/dbraw/zinc/78/96/56/568789656.db2.gz JAWJDLMRZWZKDK-SFHVURJKSA-N 1 0 422.529 3.471 40 0 HGABRO COc1ccccc1[C@@H]1CN(C(C)=O)CCN1C(=O)c1ccccc1C[NH+]1CCCC1 ZINC000257252024 568790876 /nfs/dbraw/zinc/79/08/76/568790876.db2.gz JTGNSTVDBCQFNW-QHCPKHFHSA-N 1 0 421.541 3.337 40 0 HGABRO O=C1CCC[C@]2(C[N@@H+](Cc3ccnc(N4CCCCC4)n3)C[C@H]2c2cccc(F)c2)N1 ZINC000257262797 568793676 /nfs/dbraw/zinc/79/36/76/568793676.db2.gz LMYYZSXLMUSWOM-XUZZJYLKSA-N 1 0 423.536 3.244 40 0 HGABRO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC000257270624 568795828 /nfs/dbraw/zinc/79/58/28/568795828.db2.gz MUYXBLNNFDBUIL-DEOSSOPVSA-N 1 0 417.513 3.286 40 0 HGABRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)CC1 ZINC000257284149 568799736 /nfs/dbraw/zinc/79/97/36/568799736.db2.gz PBJZHWAWNJCVIX-IBGZPJMESA-N 1 0 408.550 3.442 40 0 HGABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)cc1 ZINC000257306252 568806372 /nfs/dbraw/zinc/80/63/72/568806372.db2.gz STLVSHDLVFKOOI-INIZCTEOSA-N 1 0 404.536 3.128 40 0 HGABRO Cc1nc2cc([C@@H]3CC[N@H+](Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257324425 568811696 /nfs/dbraw/zinc/81/16/96/568811696.db2.gz WOPXWALAEDJETE-HXUWFJFHSA-N 1 0 420.561 3.188 40 0 HGABRO Cc1cc(C[C@H]2CCC[C@@H]3C[N@H+](CC(=O)Nc4ccc5c(c4)OCCO5)C[C@@H]32)ncn1 ZINC000257337993 568815362 /nfs/dbraw/zinc/81/53/62/568815362.db2.gz YVIXQZMLABQRHL-DBXWQHBBSA-N 1 0 422.529 3.086 40 0 HGABRO Cn1cc(-c2ccc3nnc(C4CC[NH+](Cc5cc(F)cc(F)c5)CC4)n3n2)cn1 ZINC000306124071 568886987 /nfs/dbraw/zinc/88/69/87/568886987.db2.gz BFABLBITKNFRRW-UHFFFAOYSA-N 1 0 409.444 3.183 40 0 HGABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306123988 568887045 /nfs/dbraw/zinc/88/70/45/568887045.db2.gz BCMFGUKFQMKVQU-LEWJYISDSA-N 1 0 419.456 3.437 40 0 HGABRO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12C[N@H+](C[C@H]1C[C@@H]3C=C[C@H]1C3)CCO2 ZINC000306124341 568887272 /nfs/dbraw/zinc/88/72/72/568887272.db2.gz BMYJZPSYNRLJRA-ZPXGPAEQSA-N 1 0 401.576 3.407 40 0 HGABRO COc1cccc(C[N@H+]2C[C@@H]3c4nnc(C(=O)Nc5ccccc5)n4CC[C@@H]3C2)c1 ZINC000306125156 568887951 /nfs/dbraw/zinc/88/79/51/568887951.db2.gz CICUWIYXMVFZOV-XLIONFOSSA-N 1 0 403.486 3.158 40 0 HGABRO CN1CC2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2nc(C(C)(C)C)ncc2C1=O ZINC000306127097 568889984 /nfs/dbraw/zinc/88/99/84/568889984.db2.gz FOJFQTSSTLJOEB-UHFFFAOYSA-N 1 0 422.529 3.122 40 0 HGABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccccc3Cl)C[C@H]1C2 ZINC000306131035 568893330 /nfs/dbraw/zinc/89/33/30/568893330.db2.gz JVFRVUVEBYCXLK-IAGOWNOFSA-N 1 0 407.905 3.488 40 0 HGABRO CC[NH+](CC)CCCNC(=O)c1nc(-c2ccnn2C2CCCC2)n2ccncc12 ZINC000306135994 568897990 /nfs/dbraw/zinc/89/79/90/568897990.db2.gz PGEIPWKTXCWWSX-UHFFFAOYSA-N 1 0 409.538 3.170 40 0 HGABRO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccnc4OC)C2)OC3)c1 ZINC000306136308 568898082 /nfs/dbraw/zinc/89/80/82/568898082.db2.gz PPPRIIICPPMSEW-QHCPKHFHSA-N 1 0 406.486 3.137 40 0 HGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3cnn(C(C)C)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136924 568898595 /nfs/dbraw/zinc/89/85/95/568898595.db2.gz QGVMCKNBZDVLLY-URXFXBBRSA-N 1 0 424.593 3.470 40 0 HGABRO Cn1c(C(=O)NC[C@H]2CC3(CC[NH+](Cc4ccncc4)CC3)O2)cc2ccccc21 ZINC000306137498 568899396 /nfs/dbraw/zinc/89/93/96/568899396.db2.gz QXTYIOCBDKXXJR-HXUWFJFHSA-N 1 0 404.514 3.127 40 0 HGABRO Cc1ccc(C[NH+]2CCC3(CC2)COCc2nnc(C(=O)N4CCCC[C@H]4C)n23)cc1 ZINC000306137607 568899544 /nfs/dbraw/zinc/89/95/44/568899544.db2.gz RBEVKVLHWIDONW-LJQANCHMSA-N 1 0 423.561 3.123 40 0 HGABRO Cc1ccsc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 ZINC000306138940 568900895 /nfs/dbraw/zinc/90/08/95/568900895.db2.gz SLDIFKOWBQPBHO-LSDHHAIUSA-N 1 0 411.506 3.344 40 0 HGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccoc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306139500 568901283 /nfs/dbraw/zinc/90/12/83/568901283.db2.gz SYUOOOSTIYWNKI-ZJSXRUAMSA-N 1 0 419.529 3.470 40 0 HGABRO O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000306139451 568901455 /nfs/dbraw/zinc/90/14/55/568901455.db2.gz SXOJYZXLZKOTQV-UHFFFAOYSA-N 1 0 411.525 3.318 40 0 HGABRO COCCN1CC[C@]2(C[N@H+](Cc3cccc(F)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306142629 568904322 /nfs/dbraw/zinc/90/43/22/568904322.db2.gz XFANLWNYGVXSAO-NFBKMPQASA-N 1 0 414.525 3.068 40 0 HGABRO CCc1ccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CCOC)C3=O)C2)cc1 ZINC000306143081 568904754 /nfs/dbraw/zinc/90/47/54/568904754.db2.gz XSRUACVSRXWUKU-RDGATRHJSA-N 1 0 424.589 3.491 40 0 HGABRO Cn1nccc1[C@@H]1C[N@H+](Cc2nccs2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306145073 568906372 /nfs/dbraw/zinc/90/63/72/568906372.db2.gz ZWZBHDHXEJPJMT-WMZHIEFXSA-N 1 0 421.570 3.285 40 0 HGABRO Cc1nc2cc(Nc3cc(-c4ccncc4)nc(NCCC[NH+](C)C)n3)ccc2s1 ZINC000329011410 568972609 /nfs/dbraw/zinc/97/26/09/568972609.db2.gz MEDIOJYYLVPKFE-UHFFFAOYSA-N 1 0 419.558 3.408 40 0 HGABRO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(N)c2)cc1Br ZINC000226263893 569278975 /nfs/dbraw/zinc/27/89/75/569278975.db2.gz OTTYFLJMEAVOHX-UHFFFAOYSA-N 1 0 419.323 3.044 40 0 HGABRO COCCOc1cc(C[N@@H+]2C[C@@H]3CC[C@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC ZINC000247887778 569315716 /nfs/dbraw/zinc/31/57/16/569315716.db2.gz DZLJSQKFHYZXBA-DCLXLUIPSA-N 1 0 412.530 3.153 40 0 HGABRO CC(=O)N[C@@H]1c2ccccc2CC[C@@]12C[N@@H+](Cc1ccccc1)C[C@@H]2C(=O)NC(C)C ZINC000247960599 569315931 /nfs/dbraw/zinc/31/59/31/569315931.db2.gz VJMXMHSFPSMDPT-MZKUHISZSA-N 1 0 419.569 3.453 40 0 HGABRO C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC000248130490 569316381 /nfs/dbraw/zinc/31/63/81/569316381.db2.gz MZZPVTJYLKEASI-UTKZUKDTSA-N 1 0 410.493 3.032 40 0 HGABRO CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000248341470 569316756 /nfs/dbraw/zinc/31/67/56/569316756.db2.gz ZFGKKZFWXMIMPI-LLBVYWAGSA-N 1 0 418.509 3.391 40 0 HGABRO Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000010112046 569342875 /nfs/dbraw/zinc/34/28/75/569342875.db2.gz HTWSGHONWBRZKN-UHFFFAOYSA-N 1 0 415.559 3.402 40 0 HGABRO COc1ccc2c(c1)onc2C1CC[NH+](CCc2c(C)nc3n(c2=O)CCCC3)CC1 ZINC000065739908 569393318 /nfs/dbraw/zinc/39/33/18/569393318.db2.gz DGIQBNGKAIWZIU-UHFFFAOYSA-N 1 0 422.529 3.460 40 0 in-vitro HGABRO CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@@H](C)CO)[nH+]1 ZINC000329000084 571306379 /nfs/dbraw/zinc/30/63/79/571306379.db2.gz JYZGOYRYTKQAKJ-ZDUSSCGKSA-N 1 0 405.340 3.718 40 0 HGABRO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(C)cc3)n2)cn1 ZINC000035425686 291236601 /nfs/dbraw/zinc/23/66/01/291236601.db2.gz VIIFOQWEOXNVCM-SFHVURJKSA-N 1 0 407.474 3.362 40 0 biogenic,in-vitro HGABRO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CNC(=O)c3ccco3)n(C)n2)cc1 ZINC000008635373 291239034 /nfs/dbraw/zinc/23/90/34/291239034.db2.gz QEZFTJZPTYKCRY-NSHGMRRFSA-N 1 0 420.513 3.297 40 0 biogenic,in-vitro HGABRO c1nc2c([nH]1)CN(Cc1ccccc1)[C@H](c1nc(-c3ccc4c(c3)OCO4)no1)C2 ZINC000015707219 291246216 /nfs/dbraw/zinc/24/62/16/291246216.db2.gz LXUIUWQLTLURPW-SFHVURJKSA-N 1 0 401.426 3.488 40 0 biogenic,in-vitro HGABRO COc1ccc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)c(C)c1C ZINC000012143379 132354924 /nfs/dbraw/zinc/35/49/24/132354924.db2.gz WBTISFLNWCZEPW-XMMPIXPASA-N 1 0 420.557 3.449 40 0 HGABRO O=C(CN1C(=O)COc2c(Cl)cccc21)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000035316787 132801200 /nfs/dbraw/zinc/80/12/00/132801200.db2.gz GZTISZXRQLDLOB-UHFFFAOYSA-N 1 0 419.953 3.370 40 0 HGABRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1)c1cccc(OC)c1 ZINC000032753483 520835093 /nfs/dbraw/zinc/83/50/93/520835093.db2.gz JBXPZGMKSLMVHU-IZJVWCBNSA-N 1 0 423.557 3.412 40 0 HGABRO CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044874651 521684286 /nfs/dbraw/zinc/68/42/86/521684286.db2.gz ISCJVXPVYCFMMF-UHFFFAOYSA-N 1 0 415.559 3.364 40 0 HGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000044880059 523169661 /nfs/dbraw/zinc/16/96/61/523169661.db2.gz RLTUPLOBBKCDDE-GOSISDBHSA-N 1 0 407.580 3.055 40 0 HGABRO CCOC(=O)c1cc(NC(=O)c2cccs2)ccc1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000003778847 557498529 /nfs/dbraw/zinc/49/85/29/557498529.db2.gz PHMRLCQEIQGCHH-OAHLLOKOSA-N 1 0 420.531 3.305 40 0 investigational HGABRO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nnn(CC(=O)NCc3ccc(F)cc3)n2)cc1 ZINC000035290077 557674108 /nfs/dbraw/zinc/67/41/08/557674108.db2.gz IHROPXHBNVHJGQ-KRWDZBQOSA-N 1 0 422.508 3.170 40 0 HGABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CC[N@H+](Cc4cccnc4)C3)nc2C)c1 ZINC000019759004 558275464 /nfs/dbraw/zinc/27/54/64/558275464.db2.gz ZCTKYTHWIYTGLA-HXUWFJFHSA-N 1 0 417.513 3.108 40 0 HGABRO CC(C)NC(=O)c1cc([C@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)nc2ccccc21 ZINC000019761241 558276711 /nfs/dbraw/zinc/27/67/11/558276711.db2.gz BGEJTGBFZKJVDJ-SFHVURJKSA-N 1 0 418.545 3.219 40 0 HGABRO CCOC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000012156687 558340523 /nfs/dbraw/zinc/34/05/23/558340523.db2.gz BDJJGWUCPMHXPT-FXAWDEMLSA-N 1 0 418.509 3.391 40 0 HGABRO C[C@@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 ZINC000012182148 558343095 /nfs/dbraw/zinc/34/30/95/558343095.db2.gz TWMURSCRWCSUNG-NQIIRXRSSA-N 1 0 418.545 3.364 40 0 HGABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 ZINC000020244434 558350684 /nfs/dbraw/zinc/35/06/84/558350684.db2.gz MNWUGRPQBZYZQH-UHFFFAOYSA-N 1 0 418.563 3.023 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000020636717 558396202 /nfs/dbraw/zinc/39/62/02/558396202.db2.gz BTTVJVNEYUYKJL-RTBURBONSA-N 1 0 411.889 3.105 40 0 HGABRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(I)c1 ZINC000029838704 558721975 /nfs/dbraw/zinc/72/19/75/558721975.db2.gz WVSIRIAOLDXYDX-UHFFFAOYSA-N 1 0 420.294 3.469 40 0 HGABRO CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccc(Cl)cc4)CC3)ccc21 ZINC000036741203 558802103 /nfs/dbraw/zinc/80/21/03/558802103.db2.gz ZJCXWGMWMPQSNS-HSZRJFAPSA-N 1 0 413.949 3.495 40 0 HGABRO Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C2CC[NH+](Cc3ccco3)CC2)on1 ZINC000019123249 558844006 /nfs/dbraw/zinc/84/40/06/558844006.db2.gz RSZOYMQOAQOFLM-UHFFFAOYSA-N 1 0 422.533 3.164 40 0 HGABRO Cc1ccc([C@@H](NC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2CCCC2)c2ccncc2)cc1C ZINC000019213518 558849336 /nfs/dbraw/zinc/84/93/36/558849336.db2.gz KLXJHJNOELDXIP-VWNXMTODSA-N 1 0 420.557 3.037 40 0 HGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3C[C@@H]3C)[nH]c(=O)c2C1 ZINC000019238661 558857401 /nfs/dbraw/zinc/85/74/01/558857401.db2.gz KPUFZVQSVZKBBN-HDMKZQKVSA-N 1 0 412.559 3.018 40 0 HGABRO Cn1cc(C[NH+]2CCC([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)CC2)cn1 ZINC000019290648 558863035 /nfs/dbraw/zinc/86/30/35/558863035.db2.gz ZJENLBLFPAZOOI-QFIPXVFZSA-N 1 0 407.493 3.338 40 0 HGABRO O=C(c1cc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)no1)N1CCC[C@H](O)C1 ZINC000019293391 558865104 /nfs/dbraw/zinc/86/51/04/558865104.db2.gz SGVHUAQHXUUUOJ-SFHVURJKSA-N 1 0 403.910 3.305 40 0 HGABRO O=C(c1cccc(F)c1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)C1 ZINC000019293508 558865322 /nfs/dbraw/zinc/86/53/22/558865322.db2.gz KDUVALPNFJAUQW-QGZVFWFLSA-N 1 0 424.520 3.230 40 0 HGABRO O=C(C[C@@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000019349072 558874897 /nfs/dbraw/zinc/87/48/97/558874897.db2.gz RQGCNWJNZUOCTJ-FQEVSTJZSA-N 1 0 412.534 3.254 40 0 HGABRO O=C(Cc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019370113 558878178 /nfs/dbraw/zinc/87/81/78/558878178.db2.gz ZWHPRKMKBHVMHC-LJQANCHMSA-N 1 0 420.557 3.019 40 0 HGABRO O=C(c1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019404888 558884629 /nfs/dbraw/zinc/88/46/29/558884629.db2.gz NYGXBHRAVJODGZ-NRFANRHFSA-N 1 0 421.545 3.223 40 0 HGABRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)CC1 ZINC000019447773 558886688 /nfs/dbraw/zinc/88/66/88/558886688.db2.gz UFENPHRPVIQSKJ-OAQYLSRUSA-N 1 0 422.577 3.389 40 0 HGABRO CC(C)[N@H+]1CCc2nc3cc(C(=O)N[C@H](C)CCc4ccco4)ccc3c(=O)n2CC1 ZINC000019448613 558887477 /nfs/dbraw/zinc/88/74/77/558887477.db2.gz FAKAMZCWEIAKTG-QGZVFWFLSA-N 1 0 422.529 3.007 40 0 HGABRO CC(=O)N[C@H]1c2ccccc2CC[C@@]12C[N@@H+](Cc1ccccc1)C[C@H]2C(=O)NC(C)C ZINC000019449786 558888428 /nfs/dbraw/zinc/88/84/28/558888428.db2.gz VJMXMHSFPSMDPT-GNKBHMEESA-N 1 0 419.569 3.453 40 0 HGABRO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCC[C@@H](C[NH+](C)C)C3)cc2N1 ZINC000019451150 558889277 /nfs/dbraw/zinc/88/92/77/558889277.db2.gz CSNYNUISRLKSJW-OFQRWUPVSA-N 1 0 401.477 3.241 40 0 HGABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)c4ccccn4)[nH]c(=O)c3C2)CC1 ZINC000019496004 558895009 /nfs/dbraw/zinc/89/50/09/558895009.db2.gz RUAJNDJQTKWXQR-MYKUNDNFSA-N 1 0 421.545 3.491 40 0 HGABRO CC[C@@H](C)C(=O)N1CCc2cc([C@H](O)C[N@@H+]3CCCN(c4ccccn4)CC3)ccc21 ZINC000019499896 558898053 /nfs/dbraw/zinc/89/80/53/558898053.db2.gz ZJHLLYIYFSJPRX-AUSIDOKSSA-N 1 0 422.573 3.263 40 0 HGABRO CCC[C@H]1C[C@](O)(Cn2cnc3c(c(C)c(C)n3Cc3ccccc3)c2=O)CC[NH2+]1 ZINC000019502089 558899908 /nfs/dbraw/zinc/89/99/08/558899908.db2.gz PBRXHBHONRNLGG-RDPSFJRHSA-N 1 0 408.546 3.146 40 0 HGABRO CCOCc1cc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531107 558911622 /nfs/dbraw/zinc/91/16/22/558911622.db2.gz ADYSSLTVPLTNMX-IBGZPJMESA-N 1 0 420.513 3.367 40 0 HGABRO CCOCc1cc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531105 558911668 /nfs/dbraw/zinc/91/16/68/558911668.db2.gz ADYSSLTVPLTNMX-LJQANCHMSA-N 1 0 420.513 3.367 40 0 HGABRO CCOc1cc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)ccc1OC ZINC000019531922 558912188 /nfs/dbraw/zinc/91/21/88/558912188.db2.gz JXUYLRWETJXQMT-GOSISDBHSA-N 1 0 406.486 3.229 40 0 HGABRO COc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)no2)cc1 ZINC000019555857 558918559 /nfs/dbraw/zinc/91/85/59/558918559.db2.gz RDXIYCLXKYEEDO-LJQANCHMSA-N 1 0 406.486 3.388 40 0 HGABRO Cc1sc2ncn(CCC(=O)N3CCC([NH+]4CCC(C)CC4)CC3)c(=O)c2c1C ZINC000019561588 558922442 /nfs/dbraw/zinc/92/24/42/558922442.db2.gz HEBBAYVEQKIHHD-UHFFFAOYSA-N 1 0 416.591 3.188 40 0 HGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC1)C[C@@H]2O ZINC000019563017 558923439 /nfs/dbraw/zinc/92/34/39/558923439.db2.gz BAGWHZIHWFDRKW-VQTJNVASSA-N 1 0 405.441 3.358 40 0 HGABRO COc1ccc(CN2CCc3nc(-c4ccncc4)nc(NCC[NH+](C)C)c3C2)cc1 ZINC000019582963 558937616 /nfs/dbraw/zinc/93/76/16/558937616.db2.gz QZHPYRHJRPXNAQ-UHFFFAOYSA-N 1 0 418.545 3.079 40 0 HGABRO C[N@@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC000019587617 558939912 /nfs/dbraw/zinc/93/99/12/558939912.db2.gz IBLPGNRRSLZDQO-WIYYLYMNSA-N 1 0 410.493 3.032 40 0 HGABRO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1CCCN(Cc2ccccn2)CC1 ZINC000019660656 558951785 /nfs/dbraw/zinc/95/17/85/558951785.db2.gz AHSHCXKPPRABFY-UHFFFAOYSA-N 1 0 406.574 3.071 40 0 HGABRO C[C@@H]1CCC[N@H+](CCC(=O)N2CCC(c3ccc(C(=O)NCC4CC4)cn3)CC2)C1 ZINC000072374409 558961899 /nfs/dbraw/zinc/96/18/99/558961899.db2.gz FGIQTAOUFKWNKU-GOSISDBHSA-N 1 0 412.578 3.049 40 0 HGABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000019694673 558963288 /nfs/dbraw/zinc/96/32/88/558963288.db2.gz GNDNBASDGTZEEG-GOSISDBHSA-N 1 0 413.541 3.397 40 0 HGABRO COCC[N@@H+]1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1c(OC)cccc1OC ZINC000072376818 558966170 /nfs/dbraw/zinc/96/61/70/558966170.db2.gz ANHPSJZZHLKHRT-QGZVFWFLSA-N 1 0 400.523 3.400 40 0 HGABRO Cc1nc(C2CCN(C(=O)[C@H]3CC[N@@H+]3C3CCCCC3)CC2)nc2c1CCCN2C ZINC000019706685 558968923 /nfs/dbraw/zinc/96/89/23/558968923.db2.gz VLKZHFSOKSILDI-OAQYLSRUSA-N 1 0 411.594 3.280 40 0 HGABRO CCOc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccc(OC)cc4)C[C@H]32)c(OCC)n1 ZINC000072392644 558972388 /nfs/dbraw/zinc/97/23/88/558972388.db2.gz NUETZNRVWHJNHC-XTQVGHSUSA-N 1 0 413.518 3.012 40 0 HGABRO Cc1nn(C)c(C)c1NC(=O)CC[N@@H+]1CCC[C@H](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019716002 558977524 /nfs/dbraw/zinc/97/75/24/558977524.db2.gz GWLAPOYRETUPDP-MRXNPFEDSA-N 1 0 412.513 3.336 40 0 HGABRO CN(C)C(=O)C[N@@H+]1CCC[C@@]12CCCN(C(=O)c1cc3ccccc3cc1O)CC2 ZINC000585100773 559025429 /nfs/dbraw/zinc/02/54/29/559025429.db2.gz WCMFSOKUSAMFIC-XMMPIXPASA-N 1 0 409.530 3.094 40 0 HGABRO C[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCN(S(=O)(=O)Cc2ccccc2)CC3)C1 ZINC000585104254 559026915 /nfs/dbraw/zinc/02/69/15/559026915.db2.gz OSIPRLPMLDMORB-TZIWHRDSSA-N 1 0 406.592 3.119 40 0 HGABRO C[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)Cc2ccc(N(C)C)cc2)CC3)C1 ZINC000585104468 559027024 /nfs/dbraw/zinc/02/70/24/559027024.db2.gz OZZNCBPKNORVDN-NFBKMPQASA-N 1 0 413.606 3.425 40 0 HGABRO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)c1 ZINC000585104792 559027267 /nfs/dbraw/zinc/02/72/67/559027267.db2.gz SPNGSOSXQJXAFG-HXUWFJFHSA-N 1 0 409.530 3.239 40 0 HGABRO COc1cc(/C=C/C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1OC(C)C ZINC000023181400 559031357 /nfs/dbraw/zinc/03/13/57/559031357.db2.gz FTURNMGDEIBBGQ-OXTNJRTLSA-N 1 0 404.551 3.500 40 0 HGABRO COc1ccc(C(=O)N2CC[C@H]3[N@H+](C)CC[C@@]3(C(=O)Nc3ccccc3)CC2)cc1 ZINC000096145272 559097251 /nfs/dbraw/zinc/09/72/51/559097251.db2.gz MCKGKTOIUPVURY-ZJSXRUAMSA-N 1 0 407.514 3.260 40 0 HGABRO Cc1ccc(NC(=O)c2ccc3nnc([C@H]4CC[N@H+](Cc5cccnc5)C4)n3c2)cn1 ZINC000096156208 559100339 /nfs/dbraw/zinc/10/03/39/559100339.db2.gz FGVQNDOLAGJXMY-SFHVURJKSA-N 1 0 413.485 3.070 40 0 HGABRO COCCOc1cc(C[N@H+](C)C[C@@H](O)COc2ccc(C)cc2C)ccc1OC ZINC000585262495 559111039 /nfs/dbraw/zinc/11/10/39/559111039.db2.gz FTDJUZXEDTZFLE-HXUWFJFHSA-N 1 0 403.519 3.209 40 0 HGABRO O[C@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCCn3cccn3)c2)C1 ZINC000585271520 559115857 /nfs/dbraw/zinc/11/58/57/559115857.db2.gz AIMJEYQEHINWBN-XMMPIXPASA-N 1 0 407.514 3.368 40 0 HGABRO CCOCCOc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2OCC)cc1 ZINC000585269791 559116095 /nfs/dbraw/zinc/11/60/95/559116095.db2.gz JMLQAHPVHMBPIH-HXUWFJFHSA-N 1 0 403.519 3.372 40 0 HGABRO CC(C)[N@H+](Cc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286104 559121802 /nfs/dbraw/zinc/12/18/02/559121802.db2.gz VTIAUCUAIJPLMU-GMAHTHKFSA-N 1 0 416.949 3.189 40 0 HGABRO Cc1cc(C)nc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)nc(C)n2)n1 ZINC000585292507 559125267 /nfs/dbraw/zinc/12/52/67/559125267.db2.gz NRRUBQUHPSYFTE-RQMBKDMJSA-N 1 0 409.538 3.107 40 0 HGABRO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)n2)n1 ZINC000585292971 559125480 /nfs/dbraw/zinc/12/54/80/559125480.db2.gz VBGJHRAKXXTUQE-LNENJAERSA-N 1 0 409.538 3.107 40 0 HGABRO [NH3+][C@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cncnc3)n2)CC1)c1ccccc1 ZINC000100708801 559138223 /nfs/dbraw/zinc/13/82/23/559138223.db2.gz DDQOCAOLNDFPTE-FVJLSDCUSA-N 1 0 417.517 3.100 40 0 HGABRO [NH3+]CC(=O)NC[C@]1(c2ccccc2)CC[C@@H]2[C@@H](O)C[C@@H](c3ccccc3)O[C@H]2CC1 ZINC000257283744 559285409 /nfs/dbraw/zinc/28/54/09/559285409.db2.gz OZSASTYYKKCHML-FCRIMTMASA-N 1 0 408.542 3.081 40 0 HGABRO Cn1ccc2cc(C(=O)N3CC4(C3)C[C@H](COCc3cccnc3)CC[N@@H+]4C)ccc21 ZINC000575404297 560547100 /nfs/dbraw/zinc/54/71/00/560547100.db2.gz ROSILEHFFPKKDM-LJQANCHMSA-N 1 0 418.541 3.327 40 0 HGABRO Cn1c(CN2CCSCC2)cc(=O)c(O)c1C[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000095479253 560558287 /nfs/dbraw/zinc/55/82/87/560558287.db2.gz PCEHZJKJJZXXTI-VGOFRKELSA-N 1 0 405.608 3.040 40 0 HGABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)c1 ZINC000409056028 560670296 /nfs/dbraw/zinc/67/02/96/560670296.db2.gz DOWRTWURRWOJRY-WFZBXURCSA-O 1 0 414.485 3.020 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@H]1c1ccccc1)c1ccccc1 ZINC000409060047 560671038 /nfs/dbraw/zinc/67/10/38/560671038.db2.gz VAKLZXHPWMTFTJ-NAGXTHEASA-O 1 0 404.877 3.356 40 0 HGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000409061678 560671742 /nfs/dbraw/zinc/67/17/42/560671742.db2.gz ZQUPPOGHRLIVBJ-ZISAOZHLSA-O 1 0 414.485 3.101 40 0 HGABRO CC[NH+](CC)CCCn1cc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C ZINC000013536143 560812504 /nfs/dbraw/zinc/81/25/04/560812504.db2.gz BJOAELAEKIJHGQ-UHFFFAOYSA-N 1 0 402.926 3.091 40 0 HGABRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCN1CCOCC1 ZINC000022074767 568473969 /nfs/dbraw/zinc/47/39/69/568473969.db2.gz UTLQQIQNYNPOFN-UHFFFAOYSA-N 1 0 422.161 3.032 40 0 HGABRO C[C@H](O)C[NH2+]CCNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000022075542 568474021 /nfs/dbraw/zinc/47/40/21/568474021.db2.gz UADPVLAYQKZEAF-AWEZNQCLSA-N 1 0 411.315 3.227 40 0 HGABRO COc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000219425915 568491737 /nfs/dbraw/zinc/49/17/37/568491737.db2.gz HRLBXLGOPAVQBF-UHFFFAOYSA-N 1 0 424.476 3.413 40 0 HGABRO O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(F)cc1 ZINC000033370315 568514358 /nfs/dbraw/zinc/51/43/58/568514358.db2.gz IPYORVPWOXDUSZ-YRXWBPOGSA-N 1 0 412.848 3.314 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 ZINC000223219982 568541409 /nfs/dbraw/zinc/54/14/09/568541409.db2.gz NZQPCMQPODGIQO-RTWAWAEBSA-N 1 0 409.559 3.449 40 0 HGABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 ZINC000223253900 568542702 /nfs/dbraw/zinc/54/27/02/568542702.db2.gz VCMLZQUYVZIYFS-GJZGRUSLSA-N 1 0 411.394 3.440 40 0 HGABRO Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC[NH+]3CCCC3)c2)c1 ZINC000224139218 568571297 /nfs/dbraw/zinc/57/12/97/568571297.db2.gz GZQJXJUCRIZAGB-UHFFFAOYSA-N 1 0 415.559 3.036 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(CC)cc1 ZINC000242473213 568598736 /nfs/dbraw/zinc/59/87/36/568598736.db2.gz FCGSADDHOIRCQG-KCZVDYSFSA-N 1 0 401.528 3.005 40 0 HGABRO CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224827137 568598899 /nfs/dbraw/zinc/59/88/99/568598899.db2.gz XXAVEUDFBIRBQN-UHFFFAOYSA-N 1 0 415.559 3.364 40 0 HGABRO C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000225650022 568660014 /nfs/dbraw/zinc/66/00/14/568660014.db2.gz XSTCSVUSEOSDIB-GOSISDBHSA-N 1 0 422.525 3.406 40 0 HGABRO CN(C)c1ncc2c(n1)[C@]1(CC[N@H+](Cc3cccc(-c4ccc(F)cc4)n3)C1)COC2 ZINC000248088105 568747350 /nfs/dbraw/zinc/74/73/50/568747350.db2.gz DWDGASWCAMRNEP-DEOSSOPVSA-N 1 0 419.504 3.418 40 0 HGABRO CC(C)CCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257201634 568776603 /nfs/dbraw/zinc/77/66/03/568776603.db2.gz AIJUBGJONNNQGA-LSQMVHIFSA-N 1 0 415.622 3.028 40 0 HGABRO Cc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(S(=O)(=O)c4cn(C)cn4)C3)c2)cc1 ZINC000257217588 568781242 /nfs/dbraw/zinc/78/12/42/568781242.db2.gz CZPBOBLGWGEHIW-QGZVFWFLSA-N 1 0 411.531 3.354 40 0 HGABRO COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@H]([NH3+])C(C)C)CC[C@@H]3O[C@H]21 ZINC000257233326 568785684 /nfs/dbraw/zinc/78/56/84/568785684.db2.gz GOTSJEWLVKZHOB-SQRAORDBSA-N 1 0 402.535 3.144 40 0 HGABRO Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000257251745 568790722 /nfs/dbraw/zinc/79/07/22/568790722.db2.gz JSBCNQOAAPTHGD-QFIPXVFZSA-N 1 0 419.529 3.493 40 0 HGABRO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC000257270625 568795807 /nfs/dbraw/zinc/79/58/07/568795807.db2.gz MUYXBLNNFDBUIL-XMMPIXPASA-N 1 0 417.513 3.286 40 0 HGABRO O=C(NCCn1nc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c2cccnc21)C1CC1 ZINC000257296283 568803358 /nfs/dbraw/zinc/80/33/58/568803358.db2.gz RCBGQMXKHKOPFI-LJQANCHMSA-N 1 0 421.520 3.476 40 0 HGABRO CC1=CC(C)(C)N(C(=O)C[N@@H+]2CCC[C@@](C(N)=O)(c3ccccn3)C2)c2ccccc21 ZINC000257303163 568805420 /nfs/dbraw/zinc/80/54/20/568805420.db2.gz SGAGPXJHAIVEIP-VWLOTQADSA-N 1 0 418.541 3.129 40 0 HGABRO Cc1cc(Nc2ncccc2C)cc([C@H]2CN(CC(=O)N3CCC(C)CC3)CCO2)n1 ZINC000257317072 568809425 /nfs/dbraw/zinc/80/94/25/568809425.db2.gz VIGDJAYRUBXPBM-JOCHJYFZSA-N 1 0 423.561 3.469 40 0 HGABRO Cc1cc(-c2cncnc2)cc([C@H]2CN(C(=O)CCC[NH+]3CCCCCC3)CCO2)n1 ZINC000257318676 568809978 /nfs/dbraw/zinc/80/99/78/568809978.db2.gz VOYZENUYENJXKW-HSZRJFAPSA-N 1 0 423.561 3.403 40 0 HGABRO CCc1ccc(C[NH+]2CCC(c3nnc4ccc(-c5ccnn5C)nn43)CC2)cc1 ZINC000306124924 568887654 /nfs/dbraw/zinc/88/76/54/568887654.db2.gz CCHDVYMRTNARKV-UHFFFAOYSA-N 1 0 401.518 3.467 40 0 HGABRO COCCN1CC[C@]2(C[N@H+](Cc3ccccc3F)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125424 568888103 /nfs/dbraw/zinc/88/81/03/568888103.db2.gz CQOCNVNBAKUORS-AUSIDOKSSA-N 1 0 414.525 3.068 40 0 HGABRO COc1ccc(C(C)C)cc1CN1CCO[C@]2(CCCC[C@H]2[NH2+]CC(=O)N(C)C)C1 ZINC000306126998 568889732 /nfs/dbraw/zinc/88/97/32/568889732.db2.gz FLGPNJHDHGKYNY-ISKFKSNPSA-N 1 0 417.594 3.010 40 0 HGABRO O=C1N(Cc2ccc(F)cc2)CCO[C@@]12C[N@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306127038 568889787 /nfs/dbraw/zinc/88/97/87/568889787.db2.gz FMEVUBULSOEPEA-LADGPHEKSA-N 1 0 421.472 3.211 40 0 HGABRO CC(C)C[NH+]1CCC2(CCCN(Cc3nccs3)[C@@H]2CNC(=O)C2CC2)CC1 ZINC000306127632 568890472 /nfs/dbraw/zinc/89/04/72/568890472.db2.gz GDXJSFRYOADKRI-LJQANCHMSA-N 1 0 404.624 3.372 40 0 HGABRO COc1ncccc1C[N@@H+]1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136338 568898131 /nfs/dbraw/zinc/89/81/31/568898131.db2.gz PQIVDAGKHXRGNV-YKSBVNFPSA-N 1 0 423.561 3.096 40 0 HGABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306136572 568898394 /nfs/dbraw/zinc/89/83/94/568898394.db2.gz PXHLWRKVAIHQRS-IAGOWNOFSA-N 1 0 407.905 3.488 40 0 HGABRO COc1ccc(-c2nnc3n(c2=O)CC[C@]32CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000306137087 568899000 /nfs/dbraw/zinc/89/90/00/568899000.db2.gz QLGFBIAQLNRSEE-QFIPXVFZSA-N 1 0 408.527 3.231 40 0 HGABRO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)c1 ZINC000306137871 568899840 /nfs/dbraw/zinc/89/98/40/568899840.db2.gz RIQFGQJTOMTHKH-FGZHOGPDSA-N 1 0 415.541 3.129 40 0 HGABRO COCCN1CC[C@]2(C[N@H+](Cc3cccc(F)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306142630 568904165 /nfs/dbraw/zinc/90/41/65/568904165.db2.gz XFANLWNYGVXSAO-NZQKXSOJSA-N 1 0 414.525 3.068 40 0 HGABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4scnc4C)CC2)CN(C)C3)cc1 ZINC000306142558 568904254 /nfs/dbraw/zinc/90/42/54/568904254.db2.gz XDHLQZFZKLSSQN-UHFFFAOYSA-N 1 0 424.574 3.155 40 0 HGABRO CCc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)cc1 ZINC000306144298 568905603 /nfs/dbraw/zinc/90/56/03/568905603.db2.gz ZBTPUXQYSXDDDA-VQTJNVASSA-N 1 0 401.514 3.397 40 0 HGABRO COc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306144165 568905637 /nfs/dbraw/zinc/90/56/37/568905637.db2.gz YXXOJMQINNXWBE-XMMPIXPASA-N 1 0 419.481 3.462 40 0 HGABRO Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218608859 568939673 /nfs/dbraw/zinc/93/96/73/568939673.db2.gz TZNSCRNWRYDTDD-IPJJNNNSSA-N 1 0 416.543 3.157 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccccn2)n1 ZINC000328962448 568969850 /nfs/dbraw/zinc/96/98/50/568969850.db2.gz BHVLXHXVZKEBHG-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO CC[C@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C(C)C)[nH+]1 ZINC000329024495 568973352 /nfs/dbraw/zinc/97/33/52/568973352.db2.gz PAHABTBNOVCCDW-AWEZNQCLSA-N 1 0 403.552 3.021 40 0 HGABRO Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])CCCCNC(=O)OC(C)(C)C)ccc12 ZINC000137438132 569004685 /nfs/dbraw/zinc/00/46/85/569004685.db2.gz OAWGDHIIFDVFOW-MRXNPFEDSA-N 1 0 403.479 3.062 40 0 HGABRO O=C(CCN1Cc2ccccc2C1=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000524731784 569291567 /nfs/dbraw/zinc/29/15/67/569291567.db2.gz KMWOXVJLEQBKSZ-KWLZBDKBSA-N 1 0 419.569 3.454 40 0 HGABRO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CC[N@H+](Cc3cn(C)nc3C)C2)cc1 ZINC000019694777 569346704 /nfs/dbraw/zinc/34/67/04/569346704.db2.gz LFOORQZQAGFKQA-SFHVURJKSA-N 1 0 406.534 3.250 40 0 HGABRO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cnc(N(C)C)nc2)cc1 ZINC000019713192 569348433 /nfs/dbraw/zinc/34/84/33/569348433.db2.gz OXXJJSIUWRVUFH-YADHBBJMSA-N 1 0 423.561 3.097 40 0 HGABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@@H](c2ncc(C(N)=O)c(C)n2)C1 ZINC000019763438 569348909 /nfs/dbraw/zinc/34/89/09/569348909.db2.gz YCHQEGKQKWTAAF-QGZVFWFLSA-N 1 0 422.508 3.205 40 0 HGABRO Cc1c([N+]2=C3CCCCCN3[C@@](O)(c3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000027525037 569363705 /nfs/dbraw/zinc/36/37/05/569363705.db2.gz NMMZSHYZHJBPGE-VWLOTQADSA-N 1 0 417.533 3.135 40 0 HGABRO CN(C)c1ccc(CCC(=O)N(C)Cc2cc(N(C)C)nc([C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000019709855 569428925 /nfs/dbraw/zinc/42/89/25/569428925.db2.gz SOYSBDLZXZWUDZ-NRFANRHFSA-N 1 0 424.593 3.014 40 0 HGABRO CN(Cc1ccccc1)C(=O)[C@H]1O[C@H](CC[N@H+](C)CCc2ccccc2)CC[C@@H]1O ZINC000030878610 291235431 /nfs/dbraw/zinc/23/54/31/291235431.db2.gz YREGEYYOSAAJAR-HJOGWXRNSA-N 1 0 410.558 3.118 40 0 biogenic,in-vitro HGABRO CN1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CCC[C@@H](C(=O)NC2CC2)CC1=O ZINC000096113405 291235801 /nfs/dbraw/zinc/23/58/01/291235801.db2.gz MNUMNUAAZMKHLO-CRAIPNDOSA-N 1 0 411.468 3.091 40 0 biogenic,in-vitro HGABRO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3F)n2)cn1 ZINC000035425646 291236568 /nfs/dbraw/zinc/23/65/68/291236568.db2.gz HGLVIUUTIRXXHI-KRWDZBQOSA-N 1 0 411.437 3.193 40 0 biogenic,in-vitro HGABRO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(Cc1ccc3ccccc3n1)C2 ZINC000096111932 291236578 /nfs/dbraw/zinc/23/65/78/291236578.db2.gz CXZLULYBAQTYQU-UGKGYDQZSA-N 1 0 403.482 3.250 40 0 biogenic,in-vitro HGABRO COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4[NH2+]CC3CCCCC3)n2)cc1 ZINC000005433762 291239127 /nfs/dbraw/zinc/23/91/27/291239127.db2.gz SITVYZFBTCIILQ-MYDTUXCISA-N 1 0 424.545 3.269 40 0 biogenic,in-vitro HGABRO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3CN(C)c2ccccc2)cc1 ZINC000008635702 291242165 /nfs/dbraw/zinc/24/21/65/291242165.db2.gz INQBQRUMQUULMI-JAXLGGSGSA-N 1 0 413.587 3.120 40 0 biogenic,in-vitro HGABRO CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000012291203 132358058 /nfs/dbraw/zinc/35/80/58/132358058.db2.gz FHVGMZKYAJZXLQ-HSZRJFAPSA-N 1 0 412.505 3.142 40 0 HGABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000044857119 524438510 /nfs/dbraw/zinc/43/85/10/524438510.db2.gz XGFPOQYJKMCLND-SFHVURJKSA-N 1 0 414.571 3.488 40 0 HGABRO Cc1nc(C2CC[NH+](CCCc3ccccc3)CC2)ncc1C(=O)N1CCOCC1 ZINC000072345602 526780818 /nfs/dbraw/zinc/78/08/18/526780818.db2.gz LCPPRDGHXFJXAM-UHFFFAOYSA-N 1 0 408.546 3.070 40 0 HGABRO O[C@@H](COCCOC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccccc2)CC1 ZINC000041689846 527658407 /nfs/dbraw/zinc/65/84/07/527658407.db2.gz PNPGRFIEOSNNBJ-CYPZLSGVSA-N 1 0 414.590 3.172 40 0 HGABRO CC[NH+](CC)CCN(S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000005469539 557655598 /nfs/dbraw/zinc/65/55/98/557655598.db2.gz AFYXZGBFVOHJEM-UHFFFAOYSA-N 1 0 424.588 3.025 40 0 HGABRO CC1CC[NH+](Cc2ccc(-c3nnn(CC(=O)Nc4ccccc4F)n3)cc2)CC1 ZINC000035290083 557674094 /nfs/dbraw/zinc/67/40/94/557674094.db2.gz RSENWVVNUSLBIF-UHFFFAOYSA-N 1 0 408.481 3.350 40 0 HGABRO O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000009887216 557850643 /nfs/dbraw/zinc/85/06/43/557850643.db2.gz UBWSOIHNJYBUGI-UHFFFAOYSA-N 1 0 407.558 3.435 40 0 HGABRO Cc1ccc2c(cc(C(=O)N3CCC([C@H]4CCCC[N@H+]4CC(=O)N(C)C)CC3)n2C)c1 ZINC000019746369 558266515 /nfs/dbraw/zinc/26/65/15/558266515.db2.gz NBUZXVZQBOOZRM-JOCHJYFZSA-N 1 0 424.589 3.282 40 0 HGABRO Cc1cccnc1CNC(=O)c1ccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019752752 558271976 /nfs/dbraw/zinc/27/19/76/558271976.db2.gz JUKNPXLTVGMJJA-HXUWFJFHSA-N 1 0 401.514 3.490 40 0 HGABRO Cc1nc([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)ncc1C(=O)Nc1ccccc1 ZINC000019755819 558274121 /nfs/dbraw/zinc/27/41/21/558274121.db2.gz XBKNVUSHXKXOMP-HXUWFJFHSA-N 1 0 407.518 3.187 40 0 HGABRO COc1cc2c(cc1C[NH+]1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)OCO2 ZINC000012328319 558383504 /nfs/dbraw/zinc/38/35/04/558383504.db2.gz IHVFOPKTIJJNRP-UHFFFAOYSA-N 1 0 400.450 3.190 40 0 HGABRO O=C1C[C@@H](NCC[NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000022118189 558463725 /nfs/dbraw/zinc/46/37/25/558463725.db2.gz QCPIQZBPHOPNFA-JOCHJYFZSA-N 1 0 409.505 3.002 40 0 HGABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000022917277 558521884 /nfs/dbraw/zinc/52/18/84/558521884.db2.gz MOTRSIMJKVFNMK-IBGZPJMESA-N 1 0 400.592 3.112 40 0 HGABRO O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCC[NH+]1CCCCC1 ZINC000013647497 558557224 /nfs/dbraw/zinc/55/72/24/558557224.db2.gz QCDOKOGURWSSQZ-UHFFFAOYSA-N 1 0 415.559 3.121 40 0 HGABRO O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013677483 558564925 /nfs/dbraw/zinc/56/49/25/558564925.db2.gz ULCHXMCRFDTCNZ-FQEVSTJZSA-N 1 0 407.514 3.444 40 0 HGABRO Cc1c(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000039768073 558686274 /nfs/dbraw/zinc/68/62/74/558686274.db2.gz YZQHNLQOFZHBGQ-UHFFFAOYSA-N 1 0 422.504 3.474 40 0 HGABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(CN2CCOCC2)cc1 ZINC000038831655 558816938 /nfs/dbraw/zinc/81/69/38/558816938.db2.gz LOGLDYJUPBAPFX-UHFFFAOYSA-N 1 0 407.558 3.435 40 0 HGABRO Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCC([NH+]4CCC(C)CC4)CC3)cc2n1 ZINC000019116620 558842095 /nfs/dbraw/zinc/84/20/95/558842095.db2.gz RDCWWNBSMCBONZ-UHFFFAOYSA-N 1 0 409.456 3.393 40 0 HGABRO Cc1cc(-c2cnc(N3CCCC3)nc2C2CC[NH+](Cc3cn(C)nc3C)CC2)on1 ZINC000019123269 558844014 /nfs/dbraw/zinc/84/40/14/558844014.db2.gz PSLNUDSTXRWRCS-UHFFFAOYSA-N 1 0 421.549 3.462 40 0 HGABRO Cc1ccc2c(c1)C(=O)N(CC(=O)N1[C@H](C)CCC[C@H]1C)CC1(CC[NH+](C)CC1)O2 ZINC000019218467 558851139 /nfs/dbraw/zinc/85/11/39/558851139.db2.gz SHTBAZSEAGKXML-RTBURBONSA-N 1 0 413.562 3.084 40 0 HGABRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3OC)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285515 558859898 /nfs/dbraw/zinc/85/98/98/558859898.db2.gz CFOIMFFLEVENDJ-LEWJYISDSA-N 1 0 405.498 3.479 40 0 HGABRO Cn1ccnc1[C@H](c1ccccc1)N1CCN(C(=O)CCC[NH+]2CCCCCC2)CC1 ZINC000019291303 558863741 /nfs/dbraw/zinc/86/37/41/558863741.db2.gz LEELCKUQNZEUOK-DEOSSOPVSA-N 1 0 423.605 3.310 40 0 HGABRO O=C(c1cc(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1)N1CCC[C@@H](O)C1 ZINC000019333815 558869230 /nfs/dbraw/zinc/86/92/30/558869230.db2.gz HOZBNBORKNWGPE-GOSISDBHSA-N 1 0 403.910 3.305 40 0 HGABRO O=C(c1cccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019337592 558870565 /nfs/dbraw/zinc/87/05/65/558870565.db2.gz UXTWBYYHJOAFPQ-FQEVSTJZSA-N 1 0 407.518 3.245 40 0 HGABRO O=C1CCOC[C@]2(C[N@H+](Cc3ccccc3OC3CCCC3)C[C@H]2c2cccnc2)N1 ZINC000019349467 558875201 /nfs/dbraw/zinc/87/52/01/558875201.db2.gz IPGJPGJVAPPNSZ-DHLKQENFSA-N 1 0 421.541 3.278 40 0 HGABRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)CC1 ZINC000019447775 558886731 /nfs/dbraw/zinc/88/67/31/558886731.db2.gz UFENPHRPVIQSKJ-NRFANRHFSA-N 1 0 422.577 3.389 40 0 HGABRO CC(C)[N@@H+]1CCc2c(=O)[nH]c([C@@H]3CCCN3C(=O)C3(c4ccccc4)CC3)nc2C1 ZINC000019448385 558887380 /nfs/dbraw/zinc/88/73/80/558887380.db2.gz POSBZNIBAKXAJO-FQEVSTJZSA-N 1 0 406.530 3.344 40 0 HGABRO CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4cc(C)ccc4C)CC3)ccc21 ZINC000057811737 558890863 /nfs/dbraw/zinc/89/08/63/558890863.db2.gz WPUGREDALRTAPX-RUZDIDTESA-N 1 0 407.558 3.458 40 0 HGABRO CCC[C@@H]1C[C@](O)(Cn2cnc3c(c(C)c(C)n3Cc3ccccc3)c2=O)CC[NH2+]1 ZINC000019502088 558899989 /nfs/dbraw/zinc/89/99/89/558899989.db2.gz PBRXHBHONRNLGG-YKSBVNFPSA-N 1 0 408.546 3.146 40 0 HGABRO CCCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C ZINC000019525843 558907287 /nfs/dbraw/zinc/90/72/87/558907287.db2.gz CEADHEHUARNUGH-LJQANCHMSA-N 1 0 412.582 3.363 40 0 HGABRO CCOc1cc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)ccc1OC ZINC000019531924 558912212 /nfs/dbraw/zinc/91/22/12/558912212.db2.gz JXUYLRWETJXQMT-SFHVURJKSA-N 1 0 406.486 3.229 40 0 HGABRO CCOc1cc2c(cc1C[NH+]1CCC([C@@H](NC(C)=O)c3ccccn3)CC1)OCO2 ZINC000019532461 558912670 /nfs/dbraw/zinc/91/26/70/558912670.db2.gz FIJTWNJYYUADIV-HSZRJFAPSA-N 1 0 411.502 3.298 40 0 HGABRO COc1cccc(CNC(=O)c2cc([C@H]3CCC[N@H+](Cc4ccncc4)C3)no2)c1 ZINC000019565650 558925429 /nfs/dbraw/zinc/92/54/29/558925429.db2.gz DQWFPUFGQHSRFL-IBGZPJMESA-N 1 0 406.486 3.388 40 0 HGABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1OC ZINC000019567757 558927066 /nfs/dbraw/zinc/92/70/66/558927066.db2.gz LRNLCNDCTQWXCD-VNQPRFMTSA-N 1 0 407.465 3.198 40 0 HGABRO COc1cccc2ccc(C[NH+]3CCC(c4nnc(-c5cnccn5)o4)CC3)nc21 ZINC000019568429 558927476 /nfs/dbraw/zinc/92/74/76/558927476.db2.gz BWFMDAWVQPELAL-UHFFFAOYSA-N 1 0 402.458 3.463 40 0 HGABRO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000019578562 558934195 /nfs/dbraw/zinc/93/41/95/558934195.db2.gz IKHSEYOSOSBTBI-JOCHJYFZSA-N 1 0 420.561 3.263 40 0 HGABRO CN(CC[NH+](C)C)c1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 ZINC000019582494 558937575 /nfs/dbraw/zinc/93/75/75/558937575.db2.gz KQVYFBOWFBGXIC-UHFFFAOYSA-N 1 0 420.536 3.234 40 0 HGABRO CN(CC[NH+](C)C)c1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000072337491 558937916 /nfs/dbraw/zinc/93/79/16/558937916.db2.gz ITYIIMSULLMBHN-UHFFFAOYSA-N 1 0 420.536 3.234 40 0 HGABRO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)c1n[nH]c2c1CCCCC2 ZINC000019583481 558937973 /nfs/dbraw/zinc/93/79/73/558937973.db2.gz PDOSDQIPTPZNLK-UHFFFAOYSA-N 1 0 424.524 3.173 40 0 HGABRO CN(C)c1nc2ccccc2cc1C[N@@H+]1C[C@@H](c2cccnc2)[C@]2(C1)CCCC(=O)N2 ZINC000019584083 558938313 /nfs/dbraw/zinc/93/83/13/558938313.db2.gz AIIVRNPKQPRPAR-SQJMNOBHSA-N 1 0 415.541 3.334 40 0 HGABRO COCCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2C(=O)N3)cc1OC ZINC000019593755 558944878 /nfs/dbraw/zinc/94/48/78/558944878.db2.gz INMOPQUSYKOJAN-DEOSSOPVSA-N 1 0 410.514 3.041 40 0 HGABRO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000019687484 558957323 /nfs/dbraw/zinc/95/73/23/558957323.db2.gz CITUYJCQHMNXLW-SFHVURJKSA-N 1 0 411.525 3.151 40 0 HGABRO CC(=O)N1CCc2c(nc([C@H]3CCC[N@@H+](C)C3)nc2NCCc2cccc(C)c2)C1 ZINC000072373392 558961087 /nfs/dbraw/zinc/96/10/87/558961087.db2.gz HABRQNJFNUTJER-FQEVSTJZSA-N 1 0 407.562 3.153 40 0 HGABRO CNC(=O)c1ccc(-c2ccc(CNC(=O)CC[N@@H+]3CCCC[C@@H]3C)cc2)nc1C ZINC000019700569 558966863 /nfs/dbraw/zinc/96/68/63/558966863.db2.gz XPNNHKXBIBMHFG-KRWDZBQOSA-N 1 0 408.546 3.297 40 0 HGABRO CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)s1 ZINC000019705897 558968271 /nfs/dbraw/zinc/96/82/71/558968271.db2.gz IIDQZJYVLNMLHS-KRWDZBQOSA-N 1 0 401.580 3.466 40 0 HGABRO CN(CC(=O)NC1CC[NH+](CC2(c3ccccc3)CCCC2)CC1)C(=O)c1ccco1 ZINC000072393412 558973034 /nfs/dbraw/zinc/97/30/34/558973034.db2.gz SGFHXQNOUNQLGG-UHFFFAOYSA-N 1 0 423.557 3.444 40 0 HGABRO O=C(CN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc3c(c1)CCC3)CC2)N1CCCC1 ZINC000585100763 559023891 /nfs/dbraw/zinc/02/38/91/559023891.db2.gz VSNGHWDNTFUBME-VWLOTQADSA-N 1 0 409.574 3.145 40 0 HGABRO COc1ccc([C@H]2C[N@H+](CC3(O)CCN(c4cccc(F)c4)CC3)CCN2C)cc1 ZINC000585183494 559070277 /nfs/dbraw/zinc/07/02/77/559070277.db2.gz GXNUALNKFVYZAO-HSZRJFAPSA-N 1 0 413.537 3.154 40 0 HGABRO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1cccs1)C2 ZINC000096036252 559089829 /nfs/dbraw/zinc/08/98/29/559089829.db2.gz YPAYTBREPRNEJW-QFIPXVFZSA-N 1 0 412.559 3.336 40 0 HGABRO CCN1CC2(CC[NH+](Cc3cccs3)CC2)COc2ccccc2S1(=O)=O ZINC000096037140 559090971 /nfs/dbraw/zinc/09/09/71/559090971.db2.gz RIWXURAOBLNPFP-UHFFFAOYSA-N 1 0 406.573 3.434 40 0 HGABRO CN1CCN(C(=O)C[C@@H]2CC3(CC[NH+](Cc4ccoc4)CC3)c3ccccc32)CC1 ZINC000096052925 559092748 /nfs/dbraw/zinc/09/27/48/559092748.db2.gz UUIFXWNEIAITLX-OAQYLSRUSA-N 1 0 407.558 3.465 40 0 HGABRO Cn1cc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NCC2CC2)c2ccccc2O3)cn1 ZINC000096053092 559092894 /nfs/dbraw/zinc/09/28/94/559092894.db2.gz KJFOQCYGEZHQIC-HXUWFJFHSA-N 1 0 408.546 3.237 40 0 HGABRO O=C(c1ccccn1)N1Cc2ccccc2C2(CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000096079603 559094747 /nfs/dbraw/zinc/09/47/47/559094747.db2.gz NREXDNVZWWNFBQ-UHFFFAOYSA-N 1 0 404.558 3.167 40 0 HGABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)Nc3cccc(F)c3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144220 559096503 /nfs/dbraw/zinc/09/65/03/559096503.db2.gz JHPVBYJHSZIGCO-QHCPKHFHSA-N 1 0 416.541 3.260 40 0 HGABRO Cc1ccc(NC(=O)N2CCC3(C[N@@H+](CC(C)C)C[C@@]34CCN(C)C4=O)CC2)cc1 ZINC000096144215 559096543 /nfs/dbraw/zinc/09/65/43/559096543.db2.gz JXFYELINCHREOO-XMMPIXPASA-N 1 0 412.578 3.429 40 0 HGABRO C[NH+](C)CCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 ZINC000096146531 559097937 /nfs/dbraw/zinc/09/79/37/559097937.db2.gz WCURYKXOZURISR-UHFFFAOYSA-N 1 0 402.502 3.077 40 0 HGABRO Cc1ccsc1C(=O)N1Cc2ccccc2C2(CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000096242436 559103975 /nfs/dbraw/zinc/10/39/75/559103975.db2.gz LQAQNTWIBGKLFQ-UHFFFAOYSA-N 1 0 411.571 3.134 40 0 HGABRO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000585271363 559116763 /nfs/dbraw/zinc/11/67/63/559116763.db2.gz XFXSDAAPODCDQU-DEOSSOPVSA-N 1 0 404.514 3.129 40 0 HGABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](CC(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000585272279 559117897 /nfs/dbraw/zinc/11/78/97/559117897.db2.gz HKRXKUCLMRRRRC-QHCPKHFHSA-N 1 0 400.494 3.046 40 0 HGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CCC[C@@H]3[C@H]2CCCCN3S(C)(=O)=O)CC1 ZINC000585282106 559119904 /nfs/dbraw/zinc/11/99/04/559119904.db2.gz AMENWOCPXICAQP-XCJLJZCSSA-N 1 0 400.629 3.232 40 0 HGABRO O[C@@]1(C[N@@H+]2CCOC[C@@](O)(COc3ccccc3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585288062 559123122 /nfs/dbraw/zinc/12/31/22/559123122.db2.gz VGERBERSWOBOID-PZUNEJSGSA-N 1 0 411.542 3.218 40 0 HGABRO Cc1cnc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)nc(C)n2)s1 ZINC000585292514 559125269 /nfs/dbraw/zinc/12/52/69/559125269.db2.gz NUKGLWYIAGPDIM-UGAXZCSASA-N 1 0 400.552 3.465 40 0 HGABRO CN1CC[NH+](C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000226069750 559272743 /nfs/dbraw/zinc/27/27/43/559272743.db2.gz XDQAOYDICZGYIY-NRFANRHFSA-N 1 0 406.611 3.404 40 0 HGABRO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257200445 559282355 /nfs/dbraw/zinc/28/23/55/559282355.db2.gz ADJHPNMTZBMAQS-DEOSSOPVSA-N 1 0 422.504 3.268 40 0 HGABRO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](C3CCOCC3)C[C@H]21 ZINC000514288906 560034010 /nfs/dbraw/zinc/03/40/10/560034010.db2.gz DAZVYIXJUVUAMF-IRLDBZIGSA-N 1 0 414.452 3.328 40 0 biogenic,in-vitro HGABRO Cc1cccc2cc(CN(CC[NH+](C)C)C(=S)NCc3ccccc3)c(=O)[nH]c12 ZINC000004133473 560600561 /nfs/dbraw/zinc/60/05/61/560600561.db2.gz NSIFGJXRRISVBU-UHFFFAOYSA-N 1 0 408.571 3.275 40 0 HGABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccccc2)c1 ZINC000409058912 560670789 /nfs/dbraw/zinc/67/07/89/560670789.db2.gz ZKIXRYUOJCKGJP-WFZBXURCSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccccc2)cc1 ZINC000409058879 560670792 /nfs/dbraw/zinc/67/07/92/560670792.db2.gz LXTDSIBAAOJGBD-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccccc2)c1 ZINC000409058910 560670804 /nfs/dbraw/zinc/67/08/04/560670804.db2.gz ZKIXRYUOJCKGJP-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409059902 560670994 /nfs/dbraw/zinc/67/09/94/560670994.db2.gz YKNAWCUOBNXHSF-CIPQKONYSA-O 1 0 422.867 3.495 40 0 HGABRO Cc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409055250 560671530 /nfs/dbraw/zinc/67/15/30/560671530.db2.gz KPGPSFBRTPMUJR-WXUIRWOTSA-O 1 0 402.449 3.150 40 0 HGABRO O=C(CCN1Cc2ccccc2C1=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000409414330 560723285 /nfs/dbraw/zinc/72/32/85/560723285.db2.gz KMWOXVJLEQBKSZ-RLOMUNTMSA-N 1 0 419.569 3.454 40 0 HGABRO O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000409415192 560723434 /nfs/dbraw/zinc/72/34/34/560723434.db2.gz WJXXWLHUWHORMV-ZFJRXVOLSA-N 1 0 423.557 3.050 40 0 HGABRO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)c1OCC(N)=O ZINC000008469986 560755286 /nfs/dbraw/zinc/75/52/86/560755286.db2.gz WSQODKHTOUNLOG-UHFFFAOYSA-N 1 0 423.351 3.236 40 0 HGABRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000010111296 560763832 /nfs/dbraw/zinc/76/38/32/560763832.db2.gz DAWZCKXCTCEVMI-UHFFFAOYSA-N 1 0 421.607 3.166 40 0 HGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000010544215 560770380 /nfs/dbraw/zinc/77/03/80/560770380.db2.gz VVYDIVOSYNQNDI-AWEZNQCLSA-N 1 0 419.385 3.391 40 0 HGABRO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000216482000 568465695 /nfs/dbraw/zinc/46/56/95/568465695.db2.gz YHGRKLDZVWIQFN-UHFFFAOYSA-N 1 0 401.532 3.456 40 0 HGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022454339 568486390 /nfs/dbraw/zinc/48/63/90/568486390.db2.gz MAJIMOBMGHQQSS-RIVFAIMISA-N 1 0 410.558 3.094 40 0 HGABRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2)CC1 ZINC000219249734 568488517 /nfs/dbraw/zinc/48/85/17/568488517.db2.gz JIVFVHOVZNNHMD-UHFFFAOYSA-N 1 0 409.530 3.244 40 0 HGABRO COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1C ZINC000223222775 568541478 /nfs/dbraw/zinc/54/14/78/568541478.db2.gz CWQPCVQWJQXCKH-RTWAWAEBSA-N 1 0 415.607 3.071 40 0 HGABRO COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c1C ZINC000223222834 568541513 /nfs/dbraw/zinc/54/15/13/568541513.db2.gz CWQPCVQWJQXCKH-LEWJYISDSA-N 1 0 415.607 3.071 40 0 HGABRO COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1 ZINC000223279246 568543868 /nfs/dbraw/zinc/54/38/68/568543868.db2.gz JDWPKDMXEUHNTN-FGZHOGPDSA-N 1 0 421.570 3.415 40 0 HGABRO COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223279534 568543941 /nfs/dbraw/zinc/54/39/41/568543941.db2.gz PXHMPDDDKLBOJN-YADHBBJMSA-N 1 0 421.570 3.415 40 0 HGABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000223279767 568543997 /nfs/dbraw/zinc/54/39/97/568543997.db2.gz WEAFRXZXXLMPLT-RTWAWAEBSA-N 1 0 407.543 3.112 40 0 HGABRO CC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224664543 568591410 /nfs/dbraw/zinc/59/14/10/568591410.db2.gz NAHRBHDIIKNPEX-UHFFFAOYSA-N 1 0 401.532 3.109 40 0 HGABRO COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000224850517 568600134 /nfs/dbraw/zinc/60/01/34/568600134.db2.gz XIGVJMGHDXLLQY-UHFFFAOYSA-N 1 0 416.543 3.246 40 0 HGABRO C[NH2+]CC(=O)NC[C@]1(c2ccccc2)CC[C@@H]2[C@@H](O)C[C@@H](c3ccccc3)O[C@H]2CC1 ZINC000257258250 568792475 /nfs/dbraw/zinc/79/24/75/568792475.db2.gz KSZBFRJGSQSEFK-VEGWMBEDSA-N 1 0 422.569 3.341 40 0 HGABRO COC[C@@H](C)NC(=O)CN1CCC(c2cc(Nc3cccc(C)n3)cc(C)[nH+]2)CC1 ZINC000257259797 568792896 /nfs/dbraw/zinc/79/28/96/568792896.db2.gz LABLMRIPAUYSOJ-GOSISDBHSA-N 1 0 411.550 3.168 40 0 HGABRO Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000257278904 568798239 /nfs/dbraw/zinc/79/82/39/568798239.db2.gz OEDGQJPQOMBTJQ-QFIPXVFZSA-N 1 0 419.529 3.493 40 0 HGABRO CCc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)CC[NH+]4CCCC4)C3)n2)s1 ZINC000257289882 568801504 /nfs/dbraw/zinc/80/15/04/568801504.db2.gz QAOFELNOJAKAEU-MRXNPFEDSA-N 1 0 414.579 3.431 40 0 HGABRO c1cn2nc(C[C@H]3COCC[N@H+](Cc4ccccc4N4CCCCC4)C3)ccc2n1 ZINC000257298875 568804227 /nfs/dbraw/zinc/80/42/27/568804227.db2.gz RNPOFLFCOLWVJO-HXUWFJFHSA-N 1 0 405.546 3.411 40 0 HGABRO Cc1nc2c(C)cccn2c1CN1CCO[C@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257299019 568804261 /nfs/dbraw/zinc/80/42/61/568804261.db2.gz ROJVTCBARJIGFA-QFIPXVFZSA-N 1 0 402.502 3.320 40 0 HGABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257306157 568806347 /nfs/dbraw/zinc/80/63/47/568806347.db2.gz STDWTPHEJZLHFQ-OAQYLSRUSA-N 1 0 407.562 3.423 40 0 HGABRO Cc1ccccc1C[NH+]1CCC(c2nnc([C@@H]3CCCCN3S(C)(=O)=O)o2)CC1 ZINC000257333135 568814032 /nfs/dbraw/zinc/81/40/32/568814032.db2.gz YAHFWKCPGAXVBZ-IBGZPJMESA-N 1 0 418.563 3.244 40 0 HGABRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@H]1c1cncc(-n2ccnc2)n1 ZINC000257334717 568814509 /nfs/dbraw/zinc/81/45/09/568814509.db2.gz YHBWGMNYKHRQKS-NRFANRHFSA-N 1 0 402.502 3.235 40 0 HGABRO COCCOCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@@H]2Cc1ccccc1 ZINC000257340946 568816271 /nfs/dbraw/zinc/81/62/71/568816271.db2.gz ZIFWHRSSGDHMOQ-CFKFVRPNSA-N 1 0 400.563 3.125 40 0 HGABRO CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCC[NH2+]2)nc(C2CC2)n1 ZINC000257343037 568816950 /nfs/dbraw/zinc/81/69/50/568816950.db2.gz ZRFGVPVQNXNKHL-MOPGFXCFSA-N 1 0 404.518 3.029 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218533574 568880750 /nfs/dbraw/zinc/88/07/50/568880750.db2.gz SRMQAWYJNWDINO-WSTZPKSXSA-N 1 0 407.919 3.096 40 0 HGABRO CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccsc2)CC1 ZINC000306123526 568886596 /nfs/dbraw/zinc/88/65/96/568886596.db2.gz APJUFGWUTVUEPQ-UHFFFAOYSA-N 1 0 401.580 3.344 40 0 HGABRO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12C[N@H+](C[C@@H]1C[C@@H]3C=C[C@H]1C3)CCO2 ZINC000306124338 568887268 /nfs/dbraw/zinc/88/72/68/568887268.db2.gz BMYJZPSYNRLJRA-GPUAKUCWSA-N 1 0 401.576 3.407 40 0 HGABRO COCCN1CC[C@]2(C[N@H+](Cc3ccccc3F)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125426 568888146 /nfs/dbraw/zinc/88/81/46/568888146.db2.gz CQOCNVNBAKUORS-WMZHIEFXSA-N 1 0 414.525 3.068 40 0 HGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccccc3)C[C@]23OCCN(CC2CCC2)C3=O)c1 ZINC000306126029 568888603 /nfs/dbraw/zinc/88/86/03/568888603.db2.gz DKBHTDLNPCYXGE-DHLKQENFSA-N 1 0 422.573 3.461 40 0 HGABRO O=C(c1ccc2c(c1)OCCCO2)N1CCO[C@@]2(CCCC[C@@H]2[NH+]2CCCC2)C1 ZINC000306127738 568890598 /nfs/dbraw/zinc/89/05/98/568890598.db2.gz GFXDHOOYKCPMKA-GMAHTHKFSA-N 1 0 400.519 3.098 40 0 HGABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4cccc(C)c4)C[C@@H]2C3)cc1 ZINC000306128028 568890657 /nfs/dbraw/zinc/89/06/57/568890657.db2.gz GOFMJAADXKARMN-OALUTQOASA-N 1 0 417.513 3.152 40 0 HGABRO CN(C)c1cccc(C(=O)N2CCO[C@]3(CCCC[C@H]3[NH2+]Cc3cccnc3)C2)c1 ZINC000306128747 568891380 /nfs/dbraw/zinc/89/13/80/568891380.db2.gz HJMUWFBUXRTCGW-ISKFKSNPSA-N 1 0 408.546 3.091 40 0 HGABRO CC(C)N1CC2(CC[NH+](Cc3ccccn3)CC2)COc2ccccc2S1(=O)=O ZINC000306131856 568894114 /nfs/dbraw/zinc/89/41/14/568894114.db2.gz KRBKIGGOBNHUSE-UHFFFAOYSA-N 1 0 415.559 3.156 40 0 HGABRO CN(C)C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C1CC[NH+](C)CC1 ZINC000306134269 568896271 /nfs/dbraw/zinc/89/62/71/568896271.db2.gz NHLAQYBXLIXVJR-UHFFFAOYSA-N 1 0 409.534 3.182 40 0 HGABRO COc1ncccc1C[N@@H+]1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136337 568898222 /nfs/dbraw/zinc/89/82/22/568898222.db2.gz PQIVDAGKHXRGNV-RDPSFJRHSA-N 1 0 423.561 3.096 40 0 HGABRO COc1cccc(C[N@@H+]2CCN(C)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)c1 ZINC000306137562 568899403 /nfs/dbraw/zinc/89/94/03/568899403.db2.gz QZXGLYSXACKIHK-QFIPXVFZSA-N 1 0 405.546 3.432 40 0 HGABRO CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000306141848 568903273 /nfs/dbraw/zinc/90/32/73/568903273.db2.gz WHZLDKKLLXKXSB-UHFFFAOYSA-N 1 0 413.541 3.422 40 0 HGABRO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306142363 568904059 /nfs/dbraw/zinc/90/40/59/568904059.db2.gz WXCGURHISQFEKK-LADGPHEKSA-N 1 0 403.482 3.072 40 0 HGABRO O=C1N(Cc2ccccc2)CCO[C@]12C[N@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306142365 568904062 /nfs/dbraw/zinc/90/40/62/568904062.db2.gz WXCGURHISQFEKK-VWNXMTODSA-N 1 0 403.482 3.072 40 0 HGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218048383 568924825 /nfs/dbraw/zinc/92/48/25/568924825.db2.gz FDKSSCHDQAEKOZ-WOIUINJBSA-N 1 0 416.543 3.157 40 0 HGABRO Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218609042 568939708 /nfs/dbraw/zinc/93/97/08/568939708.db2.gz TZNSCRNWRYDTDD-JQVVWYNYSA-N 1 0 416.543 3.157 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000242592201 568967868 /nfs/dbraw/zinc/96/78/68/568967868.db2.gz OMBKGVQRHQKMII-QWFCFKBJSA-N 1 0 407.919 3.096 40 0 HGABRO Cc1nc2cc(Nc3cc(-c4cccnc4)nc(NCC[NH+](C)C)n3)ccc2s1 ZINC000328957004 568969614 /nfs/dbraw/zinc/96/96/14/568969614.db2.gz AINVWIHSOVHCHK-UHFFFAOYSA-N 1 0 405.531 3.018 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccncc2)n1 ZINC000328979232 568971072 /nfs/dbraw/zinc/97/10/72/568971072.db2.gz GFKMYCOYEXEHEK-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO COCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000009062571 569342144 /nfs/dbraw/zinc/34/21/44/569342144.db2.gz WODLAOMTJFYHIG-UHFFFAOYSA-N 1 0 409.530 3.222 40 0 HGABRO C[NH+](C)CCCNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000010111423 569342881 /nfs/dbraw/zinc/34/28/81/569342881.db2.gz QTLOBOGUTOSBAB-HSZRJFAPSA-N 1 0 411.571 3.185 40 0 HGABRO CCc1ncc(C[NH+]2CCC(c3nc(-c4ccc(F)cc4)c(C(=O)NC)[nH]3)CC2)cn1 ZINC000019696986 569346812 /nfs/dbraw/zinc/34/68/12/569346812.db2.gz XJFRJPBPDIOEMT-UHFFFAOYSA-N 1 0 422.508 3.307 40 0 HGABRO CN(C)c1ncccc1C[NH+]1CCC(c2nc(-c3ccccc3)c(C(N)=O)[nH]2)CC1 ZINC000019697002 569346817 /nfs/dbraw/zinc/34/68/17/569346817.db2.gz AKELMKWZCWWZLW-UHFFFAOYSA-N 1 0 404.518 3.016 40 0 HGABRO CC(=O)N1CCC[C@@H]1c1nc(C[N@H+](C)Cc2cccc3ncccc23)cc(N(C)C)n1 ZINC000019760324 569348863 /nfs/dbraw/zinc/34/88/63/569348863.db2.gz BHORSUBFJPSUIG-JOCHJYFZSA-N 1 0 418.545 3.406 40 0 HGABRO Cc1nc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019766537 569349113 /nfs/dbraw/zinc/34/91/13/569349113.db2.gz DCYVYLXTGZSZGV-UHFFFAOYSA-N 1 0 414.937 3.290 40 0 HGABRO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccccc21 ZINC000018058400 569383529 /nfs/dbraw/zinc/38/35/29/569383529.db2.gz QYKFPSKFNDXJHN-CROMWVBPSA-N 1 0 421.884 3.080 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242463755 569422308 /nfs/dbraw/zinc/42/23/08/569422308.db2.gz DJLLEEVARYHFGM-QKNQBKEWSA-N 1 0 421.946 3.350 40 0 HGABRO Cc1ccc2c(cccc2N2CC[NH+](CCc3cccc(N4CCNC4=O)c3)CC2)n1 ZINC000034451922 571313574 /nfs/dbraw/zinc/31/35/74/571313574.db2.gz ANGUXJDGJCHGOG-UHFFFAOYSA-N 1 0 415.541 3.438 40 0 in-man HGABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CC2)Cc2cn(Cc3nccn3C)c3cccc1c23 ZINC000049171757 291232617 /nfs/dbraw/zinc/23/26/17/291232617.db2.gz UHIFOSGMSKLMSJ-PMACEKPBSA-N 1 0 405.546 3.303 40 0 biogenic,in-vitro HGABRO CN1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)Nc5ccccc5)c43)C2)CC1 ZINC000015672363 291235653 /nfs/dbraw/zinc/23/56/53/291235653.db2.gz VYTMDTWXUKNGLC-ZWKOTPCHSA-N 1 0 421.545 3.006 40 0 biogenic,in-vitro HGABRO O=C(NC1CCCCC1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000008298891 291242996 /nfs/dbraw/zinc/24/29/96/291242996.db2.gz URHMOSIDFDPDST-AAIMPIBUSA-N 1 0 423.561 3.016 40 0 biogenic,in-vitro HGABRO OC1(c2csc(CN3CCc4ccccc4C3)n2)CC[NH+](C2CCOCC2)CC1 ZINC000225474039 291245924 /nfs/dbraw/zinc/24/59/24/291245924.db2.gz DVCTZCDGMGWBQA-UHFFFAOYSA-N 1 0 413.587 3.164 40 0 biogenic,in-vitro HGABRO c1nc2n(c1-c1ccc3c(c1)OCCO3)C[C@H](C[NH2+]Cc1c[nH]c3ccccc13)OC2 ZINC000096296446 291246207 /nfs/dbraw/zinc/24/62/07/291246207.db2.gz YOSIMNNPPFPTQB-SFHVURJKSA-N 1 0 416.481 3.491 40 0 biogenic,in-vitro HGABRO C[NH+](C)CCCNc1nc(Nc2ccccc2Br)cc(C(F)(F)F)n1 ZINC000329005228 524055614 /nfs/dbraw/zinc/05/56/14/524055614.db2.gz KXARXDGQXMLDIY-UHFFFAOYSA-N 1 0 418.261 3.209 40 0 HGABRO CC[NH+](CC)CC[C@@](O)(c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1 ZINC000002043235 557300084 /nfs/dbraw/zinc/30/00/84/557300084.db2.gz WTNYYRBXOPUIBO-HSZRJFAPSA-N 1 0 417.502 3.409 40 0 HGABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)NCc3ccccc3)cc2c1 ZINC000004231294 557530699 /nfs/dbraw/zinc/53/06/99/557530699.db2.gz CARWCYDHOFZNEE-UHFFFAOYSA-N 1 0 422.529 3.200 40 0 HGABRO O=C(Cn1nnc(-c2ccc(C[NH+]3CCCCC3)cc2)n1)N1CCCc2ccccc21 ZINC000035313174 557688896 /nfs/dbraw/zinc/68/88/96/557688896.db2.gz CDWHCSPGJSEFLN-UHFFFAOYSA-N 1 0 416.529 3.305 40 0 HGABRO COCCN1CCCC[C@@H](C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C1=O ZINC000019744136 558264695 /nfs/dbraw/zinc/26/46/95/558264695.db2.gz OBTRAXGHBBUBLL-QHCPKHFHSA-N 1 0 410.562 3.359 40 0 HGABRO Cc1nc([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)ncc1C(=O)Nc1ccccc1 ZINC000019755817 558274181 /nfs/dbraw/zinc/27/41/81/558274181.db2.gz XBKNVUSHXKXOMP-FQEVSTJZSA-N 1 0 407.518 3.187 40 0 HGABRO Cn1cc(C(=O)NCc2ccccn2)c(CC2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000019756290 558274437 /nfs/dbraw/zinc/27/44/37/558274437.db2.gz ZGVUFBAWJKBHSE-UHFFFAOYSA-N 1 0 421.520 3.339 40 0 HGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000020048389 558328057 /nfs/dbraw/zinc/32/80/57/558328057.db2.gz OGEGGCUQFAVZSY-OAHLLOKOSA-N 1 0 401.960 3.096 40 0 HGABRO Cc1cc2nc([C@@H]3CCC[N@@H+](C[C@@H](C)Cc4ccc5c(c4)OCO5)C3)cc(N)n2n1 ZINC000012185926 558345238 /nfs/dbraw/zinc/34/52/38/558345238.db2.gz CSUSDDAYRNWWRA-MAUKXSAKSA-N 1 0 407.518 3.407 40 0 HGABRO CCOc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)cc1 ZINC000012329551 558384168 /nfs/dbraw/zinc/38/41/68/558384168.db2.gz KZNDCZVLIGJBAR-FGZHOGPDSA-N 1 0 413.514 3.478 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(CC)cc1 ZINC000020636813 558396210 /nfs/dbraw/zinc/39/62/10/558396210.db2.gz DZNASELIPNGVDN-LEWJYISDSA-N 1 0 405.498 3.014 40 0 HGABRO CCOc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OCC ZINC000022074652 558462455 /nfs/dbraw/zinc/46/24/55/558462455.db2.gz ZEEDWMAUEYPYAG-UHFFFAOYSA-N 1 0 412.939 3.117 40 0 HGABRO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC[NH+]3CCCCCC3)c2)cc1 ZINC000013676974 558564883 /nfs/dbraw/zinc/56/48/83/558564883.db2.gz VXPUUUNZCYGOJL-UHFFFAOYSA-N 1 0 415.559 3.402 40 0 HGABRO Cc1nn2cnnc2c(C)c1CCC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000036752676 558802960 /nfs/dbraw/zinc/80/29/60/558802960.db2.gz DKGBXUQEHJDOMY-NRFANRHFSA-N 1 0 406.534 3.017 40 0 HGABRO Cc1sc2nc(C)n(CC(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)c(=O)c2c1C ZINC000019136469 558846228 /nfs/dbraw/zinc/84/62/28/558846228.db2.gz VHILXDWNACVAAY-GOSISDBHSA-N 1 0 412.559 3.111 40 0 HGABRO Cc1cc(C)c(OCC(=O)N2CC[NH+]=Cc3cc(N)ccc32)c(Br)c1 ZINC000073642509 558850346 /nfs/dbraw/zinc/85/03/46/558850346.db2.gz FLGHCDXSXZVRLP-UHFFFAOYSA-N 1 0 402.292 3.493 40 0 HGABRO Cc1ccc2nc(C)cc(OCC(=O)N(C[C@H]3CCCO3)C3CC[NH+](C)CC3)c2c1 ZINC000019220598 558851804 /nfs/dbraw/zinc/85/18/04/558851804.db2.gz SRJDQXKVHSKGNV-HXUWFJFHSA-N 1 0 411.546 3.332 40 0 HGABRO CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC[NH+]1CCCCC1 ZINC000068605696 558863966 /nfs/dbraw/zinc/86/39/66/558863966.db2.gz VYUQFFMPUHWSKT-HXUWFJFHSA-N 1 0 414.550 3.206 40 0 HGABRO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)no1)N1CCC(O)CC1 ZINC000019347015 558873655 /nfs/dbraw/zinc/87/36/55/558873655.db2.gz BDYHQQRBDOEVHN-LJQANCHMSA-N 1 0 420.513 3.199 40 0 HGABRO O=C(c1cc(C2CC[NH+](Cc3ccccc3Cl)CC2)no1)N1CCC[C@H](O)C1 ZINC000019348889 558874658 /nfs/dbraw/zinc/87/46/58/558874658.db2.gz TWTKSXJCSDBQCT-KRWDZBQOSA-N 1 0 403.910 3.305 40 0 HGABRO O=C(N[C@H]1CCCOC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372525 558879814 /nfs/dbraw/zinc/87/98/14/558879814.db2.gz JKWUOYGZXWWJRX-BHDDXSALSA-N 1 0 410.489 3.052 40 0 HGABRO O=c1cc([C@@H]2CCC[N@@H+](Cc3c[nH]cc4c(Cl)nnc3-4)C2)nc(-c2ccccn2)[nH]1 ZINC000019402779 558883960 /nfs/dbraw/zinc/88/39/60/558883960.db2.gz QUYBINHGNVMINR-CYBMUJFWSA-N 1 0 421.892 3.136 40 0 HGABRO O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCCC1)C2 ZINC000019403702 558884499 /nfs/dbraw/zinc/88/44/99/558884499.db2.gz ATKQOGBBJPNXJG-FQEVSTJZSA-N 1 0 422.533 3.030 40 0 HGABRO O=C(c1ccncc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019404845 558884679 /nfs/dbraw/zinc/88/46/79/558884679.db2.gz GXQNUPWCNVUXDK-NRFANRHFSA-N 1 0 421.545 3.081 40 0 HGABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1c1ccnc(N2CCCCC2)n1 ZINC000019449999 558888511 /nfs/dbraw/zinc/88/85/11/558888511.db2.gz ILUROGDZDAWWBS-RTBURBONSA-N 1 0 413.591 3.269 40 0 HGABRO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCCC[C@@H]3C[NH+](C)C)cc2N1 ZINC000019451154 558889303 /nfs/dbraw/zinc/88/93/03/558889303.db2.gz ZRVHWHBVJHWOSU-IJEWVQPXSA-N 1 0 401.477 3.383 40 0 HGABRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019456284 558892044 /nfs/dbraw/zinc/89/20/44/558892044.db2.gz SVCOQXYWYFMBTM-SIKLNZKXSA-N 1 0 424.541 3.216 40 0 HGABRO C[C@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCC(C)CC2)CC3)C1 ZINC000019495959 558894745 /nfs/dbraw/zinc/89/47/45/558894745.db2.gz LRJJRJGCDCTXNE-ASGJETJBSA-N 1 0 412.578 3.481 40 0 HGABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)c(C)c1 ZINC000019500309 558898563 /nfs/dbraw/zinc/89/85/63/558898563.db2.gz OPAJQCVBEKXAAE-FQEVSTJZSA-N 1 0 414.619 3.420 40 0 HGABRO CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)c2N1 ZINC000019520885 558902194 /nfs/dbraw/zinc/90/21/94/558902194.db2.gz WCGCQEJTTKUFCJ-DZKIICNBSA-N 1 0 401.477 3.431 40 0 HGABRO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](CC2=CCCOC2)C1 ZINC000019529115 558910800 /nfs/dbraw/zinc/91/08/00/558910800.db2.gz HMPNWFYTTLDEKO-VWLOTQADSA-N 1 0 405.542 3.466 40 0 HGABRO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](CC2=CCCOC2)C1 ZINC000019529114 558910856 /nfs/dbraw/zinc/91/08/56/558910856.db2.gz HMPNWFYTTLDEKO-RUZDIDTESA-N 1 0 405.542 3.466 40 0 HGABRO COc1cc(C[NH+]2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)ccc1O ZINC000019555306 558918264 /nfs/dbraw/zinc/91/82/64/558918264.db2.gz LOFGFMLZOREFMP-UHFFFAOYSA-N 1 0 412.534 3.024 40 0 HGABRO COc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)no2)c1 ZINC000019565641 558925522 /nfs/dbraw/zinc/92/55/22/558925522.db2.gz ALTMLUWURLRLNJ-LJQANCHMSA-N 1 0 406.486 3.388 40 0 HGABRO Cc1cc(C)n2nc(CC(=O)Nc3ccc(CC[C@H]4CC[N@@H+](C)C[C@@H]4C)cc3)nc2n1 ZINC000072335304 558936392 /nfs/dbraw/zinc/93/63/92/558936392.db2.gz BGGZICMIEFPWTK-JXFKEZNVSA-N 1 0 420.561 3.443 40 0 HGABRO COC(=O)[C@@]1(CC(=O)OCc2ccccc2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340220 558939043 /nfs/dbraw/zinc/93/90/43/558939043.db2.gz GDTMPFQXOAQHNR-TYBLODHISA-N 1 0 421.493 3.285 40 0 HGABRO CNc1ncc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccc(OC)cc4)n3)CC2)cn1 ZINC000019592380 558943329 /nfs/dbraw/zinc/94/33/29/558943329.db2.gz XXNHCHGSWPFDDC-UHFFFAOYSA-N 1 0 406.490 3.069 40 0 HGABRO COCCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000019593696 558944773 /nfs/dbraw/zinc/94/47/73/558944773.db2.gz RFZODOBJNQEZTI-YTQUADARSA-N 1 0 421.492 3.206 40 0 HGABRO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352453 558948719 /nfs/dbraw/zinc/94/87/19/558948719.db2.gz OKXKARQQTPGSHX-QGZVFWFLSA-N 1 0 424.570 3.405 40 0 HGABRO C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)NC2CCN(C(=O)C3CC3)CC2)C1 ZINC000072352562 558948997 /nfs/dbraw/zinc/94/89/97/558948997.db2.gz BOMXRRLDJZLMOJ-INIZCTEOSA-N 1 0 411.571 3.451 40 0 HGABRO O=c1c(C[NH+]2CCC(Oc3ccccc3F)CC2)c(N2CCCC2)nc2ccccn21 ZINC000019659045 558950609 /nfs/dbraw/zinc/95/06/09/558950609.db2.gz ZUAGIDYUJRRRHE-UHFFFAOYSA-N 1 0 422.504 3.477 40 0 HGABRO O=S(=O)(c1ccc(F)cc1)N1CC[N@@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355122 558952369 /nfs/dbraw/zinc/95/23/69/558952369.db2.gz PKCDOZCPJLZKLF-GOSISDBHSA-N 1 0 417.550 3.329 40 0 HGABRO COc1ccccc1CN(C(=O)c1ccc(-n2cccn2)nc1)C1CC[NH+](C)CC1 ZINC000019663845 558954588 /nfs/dbraw/zinc/95/45/88/558954588.db2.gz CTBSMUBJCUFKAF-UHFFFAOYSA-N 1 0 405.502 3.013 40 0 HGABRO O=C(NC[C@H]1CCCOC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373038 558960907 /nfs/dbraw/zinc/96/09/07/558960907.db2.gz MIWZJOWBCINJRO-PUHATCMVSA-N 1 0 406.526 3.160 40 0 HGABRO COc1ccc(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3cncnc3)CC2)cc1 ZINC000019695283 558963934 /nfs/dbraw/zinc/96/39/34/558963934.db2.gz VMLNVNGNHKCPFP-UHFFFAOYSA-N 1 0 404.518 3.388 40 0 HGABRO O=C(NCc1ccccc1)c1cnc(-c2ccccc2)nc1CC[NH2+]C1CCOCC1 ZINC000019697436 558965081 /nfs/dbraw/zinc/96/50/81/558965081.db2.gz QWKHFXCPCXSMAU-UHFFFAOYSA-N 1 0 416.525 3.385 40 0 HGABRO Cc1nc([C@H]2CCCCN2C(=O)C[NH+](C)C)nc2c1CCCN2Cc1ccccc1 ZINC000019706838 558969082 /nfs/dbraw/zinc/96/90/82/558969082.db2.gz VJQKPJNGNQFMHB-OAQYLSRUSA-N 1 0 407.562 3.353 40 0 HGABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C)C3)nc(NCc3cccc(C)c3C)c2C1 ZINC000019711311 558973380 /nfs/dbraw/zinc/97/33/80/558973380.db2.gz UVXNJRTZBNRLAC-HXUWFJFHSA-N 1 0 407.562 3.419 40 0 HGABRO COc1ccc(OC)c(C[NH+]2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)c1 ZINC000072394388 558973511 /nfs/dbraw/zinc/97/35/11/558973511.db2.gz MTVRDQSSKOMZRN-UHFFFAOYSA-N 1 0 410.514 3.480 40 0 HGABRO O=C(CN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc3c(c1)CCC3)CC2)N1CCCC1 ZINC000585100762 559023846 /nfs/dbraw/zinc/02/38/46/559023846.db2.gz VSNGHWDNTFUBME-RUZDIDTESA-N 1 0 409.574 3.145 40 0 HGABRO COCC[N@H+](C[C@H]1CC2(CO1)CCN(C(=O)COc1ccc(C)cc1)CC2)C(C)C ZINC000585104572 559027236 /nfs/dbraw/zinc/02/72/36/559027236.db2.gz QLTNZZADTSCXBC-JOCHJYFZSA-N 1 0 418.578 3.128 40 0 HGABRO Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@@H]21 ZINC000585109776 559029505 /nfs/dbraw/zinc/02/95/05/559029505.db2.gz SNWXXZMIWILTGS-CNNODRBYSA-N 1 0 408.452 3.399 40 0 HGABRO CC[NH+](CC)CCCNC(=O)[C@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1 ZINC000096037539 559091219 /nfs/dbraw/zinc/09/12/19/559091219.db2.gz XLAHITNAXYYABG-HSZRJFAPSA-N 1 0 411.594 3.412 40 0 HGABRO Cn1cc(-c2cnc(NCc3ccccc3)nc2)cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000096147602 559098578 /nfs/dbraw/zinc/09/85/78/559098578.db2.gz PIVRZXFGIYDUEJ-UHFFFAOYSA-N 1 0 418.545 3.260 40 0 HGABRO Cc1ncccc1NC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](CC3CCCC3)CC2)O1 ZINC000096243883 559104997 /nfs/dbraw/zinc/10/49/97/559104997.db2.gz KMRAYBVXDWAUHF-FQEVSTJZSA-N 1 0 409.534 3.105 40 0 HGABRO CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)Nc4cccc(Cl)c4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096262426 559106508 /nfs/dbraw/zinc/10/65/08/559106508.db2.gz QHSXCZVBRVOXPB-PGRDOPGGSA-N 1 0 418.969 3.384 40 0 HGABRO C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)Nc1ccccc1)CC3 ZINC000096262433 559106548 /nfs/dbraw/zinc/10/65/48/559106548.db2.gz CIQRTBIGLSPSAT-GBXCKJPGSA-N 1 0 410.562 3.265 40 0 HGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282228 559119939 /nfs/dbraw/zinc/11/99/39/559119939.db2.gz CCJFJGCNWQSEGF-NMNUPHIUSA-N 1 0 409.542 3.235 40 0 HGABRO CC[NH+]1CCN(c2c3c(nc4cc(-c5cc(OC)cc(OC)c5)nn42)CCCC3)CC1 ZINC000004980802 560623036 /nfs/dbraw/zinc/62/30/36/560623036.db2.gz AIWCOJOAKGKQRI-UHFFFAOYSA-N 1 0 421.545 3.434 40 0 HGABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409063603 560671984 /nfs/dbraw/zinc/67/19/84/560671984.db2.gz AFOXKHJZUWXECS-KSYIGNPDSA-O 1 0 402.449 3.150 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409061222 560672779 /nfs/dbraw/zinc/67/27/79/560672779.db2.gz BZSUVPMUOCJDBU-UGYRXPJGSA-O 1 0 404.877 3.356 40 0 HGABRO CCOc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCc1cccs1 ZINC000007523774 560751447 /nfs/dbraw/zinc/75/14/47/560751447.db2.gz WIERJRIGHVDHGL-UHFFFAOYSA-N 1 0 405.549 3.131 40 0 HGABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(I)cc2)C1 ZINC000010542901 560770257 /nfs/dbraw/zinc/77/02/57/560770257.db2.gz OUVBVXAIUWEIHD-KBPBESRZSA-N 1 0 400.304 3.389 40 0 HGABRO Cc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020140654 560881373 /nfs/dbraw/zinc/88/13/73/560881373.db2.gz DRYWWSNSECVKDS-DHIUTWEWSA-N 1 0 424.593 3.200 40 0 HGABRO CCOc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)ccc1OCCO ZINC000057761365 568496767 /nfs/dbraw/zinc/49/67/67/568496767.db2.gz FYQROMKGOXQTPN-GOTSBHOMSA-N 1 0 410.558 3.348 40 0 HGABRO CC[C@@H](OC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000022870658 568500397 /nfs/dbraw/zinc/50/03/97/568500397.db2.gz BURKISBUYAVOCA-FCHUYYIVSA-N 1 0 412.530 3.062 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 ZINC000223212420 568541157 /nfs/dbraw/zinc/54/11/57/568541157.db2.gz OHHHFYAQOIDZFC-NHCUHLMSSA-N 1 0 406.559 3.192 40 0 HGABRO COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000223714564 568557073 /nfs/dbraw/zinc/55/70/73/568557073.db2.gz QJFGOURJGYBVGF-LEWJYISDSA-N 1 0 421.526 3.193 40 0 HGABRO COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1C ZINC000223824974 568559993 /nfs/dbraw/zinc/55/99/93/568559993.db2.gz VOYPCQDWTHLAEO-UHFFFAOYSA-N 1 0 418.515 3.055 40 0 HGABRO Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCC[NH+]3CCCC3)c2)cc1 ZINC000224262660 568575667 /nfs/dbraw/zinc/57/56/67/568575667.db2.gz NLABOWPAGHFHJF-UHFFFAOYSA-N 1 0 415.559 3.036 40 0 HGABRO COC(=O)c1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1C ZINC000224535777 568584008 /nfs/dbraw/zinc/58/40/08/568584008.db2.gz GHGDZKVCDCUBJE-UHFFFAOYSA-N 1 0 416.543 3.246 40 0 HGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC ZINC000225696450 568665223 /nfs/dbraw/zinc/66/52/23/568665223.db2.gz SZPFTXNSSPBNIJ-OAHLLOKOSA-N 1 0 411.593 3.016 40 0 HGABRO Cc1nc(C)n(CC(=O)N2CC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)n1 ZINC000257206781 568778134 /nfs/dbraw/zinc/77/81/34/568778134.db2.gz BEWITKCXUHVWPS-QGZVFWFLSA-N 1 0 408.481 3.497 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000225661642 568778281 /nfs/dbraw/zinc/77/82/81/568778281.db2.gz FYDSZLRCGNAQST-CMKODMSKSA-N 1 0 407.919 3.096 40 0 HGABRO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000257262252 568793522 /nfs/dbraw/zinc/79/35/22/568793522.db2.gz LKSNRYRHGLQCIV-RUZDIDTESA-N 1 0 416.525 3.335 40 0 HGABRO C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 ZINC000257265103 568794242 /nfs/dbraw/zinc/79/42/42/568794242.db2.gz LXIDCWQQVTUXNJ-OAQYLSRUSA-N 1 0 417.513 3.456 40 0 HGABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)[nH+]1 ZINC000257291333 568801839 /nfs/dbraw/zinc/80/18/39/568801839.db2.gz QGNCKFLGCJYBCZ-MRXNPFEDSA-N 1 0 404.511 3.403 40 0 HGABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)[nH+]1 ZINC000257291332 568801844 /nfs/dbraw/zinc/80/18/44/568801844.db2.gz QGNCKFLGCJYBCZ-INIZCTEOSA-N 1 0 404.511 3.403 40 0 HGABRO COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2C[NH+]2CCCC2)CCN1C(C)=O ZINC000257303589 568805370 /nfs/dbraw/zinc/80/53/70/568805370.db2.gz SHWBNDMSDDCDQX-QHCPKHFHSA-N 1 0 421.541 3.337 40 0 HGABRO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12C[N@H+](C[C@@H]1C[C@@H]3C=C[C@H]1C3)CCO2 ZINC000306124339 568887203 /nfs/dbraw/zinc/88/72/03/568887203.db2.gz BMYJZPSYNRLJRA-IHZGOTPNSA-N 1 0 401.576 3.407 40 0 HGABRO COc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)c1 ZINC000306126195 568888915 /nfs/dbraw/zinc/88/89/15/568888915.db2.gz DPESYCFYQLYJHI-RTWAWAEBSA-N 1 0 408.527 3.343 40 0 HGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccco3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306133215 568895353 /nfs/dbraw/zinc/89/53/53/568895353.db2.gz MFKDTSHKJNOXDP-QPPBQGQZSA-N 1 0 419.529 3.470 40 0 HGABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccc(C)o4)CC2)CN(C)C3)cc1 ZINC000306135071 568897010 /nfs/dbraw/zinc/89/70/10/568897010.db2.gz OHAATVLFHBGIPM-UHFFFAOYSA-N 1 0 407.518 3.292 40 0 HGABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](CNC(=O)c4ccc(C)cc4)O3)C2)cc1 ZINC000306135788 568897815 /nfs/dbraw/zinc/89/78/15/568897815.db2.gz PAXKMWPDJXWEKB-NOZRDPDXSA-N 1 0 408.542 3.483 40 0 HGABRO COc1ccc(C[N@@H+]2C[C@@H](c3ccnn3C)[C@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000306136420 568898231 /nfs/dbraw/zinc/89/82/31/568898231.db2.gz PSWWHMBDKGGXGW-XUZZJYLKSA-N 1 0 408.546 3.047 40 0 HGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccoc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306139499 568901315 /nfs/dbraw/zinc/90/13/15/568901315.db2.gz SYUOOOSTIYWNKI-XUZZJYLKSA-N 1 0 419.529 3.470 40 0 HGABRO Cn1nccc1[C@@H]1C[N@H+](Cc2ccsc2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306144353 568905619 /nfs/dbraw/zinc/90/56/19/568905619.db2.gz ZDBOZIUODPIBCG-NZQKXSOJSA-N 1 0 421.570 3.285 40 0 HGABRO Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218608949 568939762 /nfs/dbraw/zinc/93/97/62/568939762.db2.gz TZNSCRNWRYDTDD-KNKQGSTJSA-N 1 0 416.543 3.157 40 0 HGABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242750276 568970676 /nfs/dbraw/zinc/97/06/76/568970676.db2.gz ZJNJMNNUEPNQEG-XUVXKRRUSA-N 1 0 409.935 3.270 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2F)cc(-c2ccncc2)n1 ZINC000328980746 568971021 /nfs/dbraw/zinc/97/10/21/568971021.db2.gz GOAAMYJIDDUEAF-UHFFFAOYSA-N 1 0 400.889 3.282 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccncc2)n1 ZINC000328984063 568971277 /nfs/dbraw/zinc/97/12/77/568971277.db2.gz HKHFUEWASHEUOF-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2cccc(Br)c2)cc(C(F)(F)F)n1 ZINC000328989164 568971514 /nfs/dbraw/zinc/97/15/14/568971514.db2.gz IJJYIMVYLFRDFZ-UHFFFAOYSA-N 1 0 418.261 3.209 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000329008147 568972399 /nfs/dbraw/zinc/97/23/99/568972399.db2.gz LQGAYVZRSVAJJS-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2c(Cl)cccc2Cl)cc(-c2ccncc2)n1 ZINC000329022585 568973013 /nfs/dbraw/zinc/97/30/13/568973013.db2.gz ONHVEOSDXHMFJU-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000329049534 568974578 /nfs/dbraw/zinc/97/45/78/568974578.db2.gz UPLBKKXFSMIOQY-UHFFFAOYSA-N 1 0 400.889 3.282 40 0 HGABRO COc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000009063573 569342466 /nfs/dbraw/zinc/34/24/66/569342466.db2.gz KSFLHGUPGACEJF-UHFFFAOYSA-N 1 0 411.521 3.395 40 0 HGABRO CCC(=O)N1CCc2cc([C@H](O)C[N@@H+]3CCC[C@@](O)(c4ccccc4OC)C3)ccc21 ZINC000012181134 569344679 /nfs/dbraw/zinc/34/46/79/569344679.db2.gz BYBQVVZADSKVRJ-RDGATRHJSA-N 1 0 424.541 3.011 40 0 HGABRO CC(=O)NCCn1nc([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)c2cccnc21 ZINC000012219522 569344777 /nfs/dbraw/zinc/34/47/77/569344777.db2.gz QSRXYMXXLOPWQK-QGZVFWFLSA-N 1 0 413.472 3.225 40 0 HGABRO CCn1cc(C[N@@H+]2CC[C@@H](c3nc(N(C)C)ncc3-c3cccc(OC)c3)C2)cn1 ZINC000019694994 569346677 /nfs/dbraw/zinc/34/66/77/569346677.db2.gz ZWIWUZRRMGVFGO-LJQANCHMSA-N 1 0 406.534 3.424 40 0 HGABRO COc1ccccc1CNC(=O)c1cc([C@H]2CC[N@H+](Cc3ccccc3F)C2)n[nH]1 ZINC000019707787 569347978 /nfs/dbraw/zinc/34/79/78/569347978.db2.gz ZHZNUVBGTBDAEK-SFHVURJKSA-N 1 0 408.477 3.477 40 0 HGABRO Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CCCCNC(=O)OC(C)(C)C)ccc12 ZINC000096295590 569359175 /nfs/dbraw/zinc/35/91/75/569359175.db2.gz OAWGDHIIFDVFOW-INIZCTEOSA-N 1 0 403.479 3.062 40 0 HGABRO CC(C)c1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@@H](C)CO)[nH+]1 ZINC000329026213 571306430 /nfs/dbraw/zinc/30/64/30/571306430.db2.gz PKRIFHRLLMLSCW-ZDUSSCGKSA-N 1 0 410.440 3.854 40 0 HGABRO CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(NCC[NH+](C)C)n1 ZINC000329070008 571306465 /nfs/dbraw/zinc/30/64/65/571306465.db2.gz ZCNIMHASHVDMLC-UHFFFAOYSA-N 1 0 418.383 3.899 40 0 HGABRO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(F)cc3)n2)cn1 ZINC000035425649 291236563 /nfs/dbraw/zinc/23/65/63/291236563.db2.gz MHRJEMWYQXFRCS-KRWDZBQOSA-N 1 0 411.437 3.193 40 0 biogenic,in-vitro HGABRO COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H]([NH2+]CCCc4ccccc4)CO[C@H]23)cc1 ZINC000004236499 291240641 /nfs/dbraw/zinc/24/06/41/291240641.db2.gz PGWPGBDYUFXIIE-DXBBTUNJSA-N 1 0 412.486 3.001 40 0 biogenic,in-vitro HGABRO CC(=O)Nc1ccc(N2C(=O)c3cccc4c(N5CC[NH2+]CC5)ccc(c43)C2=O)cc1 ZINC000004713022 132285598 /nfs/dbraw/zinc/28/55/98/132285598.db2.gz HGCOKCBOFHPBDS-UHFFFAOYSA-N 1 0 414.465 3.008 40 0 HGABRO COc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(OC)c1OC ZINC000044882818 524064168 /nfs/dbraw/zinc/06/41/68/524064168.db2.gz FGYRJSKBHPDIRE-SFHVURJKSA-N 1 0 416.493 3.380 40 0 HGABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)CCn4cncn4)CC3)CCCCC2)cc1 ZINC000072393570 524228005 /nfs/dbraw/zinc/22/80/05/524228005.db2.gz PQNADZGREQLQJV-UHFFFAOYSA-N 1 0 409.578 3.459 40 0 HGABRO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)CC(C)(C)C1 ZINC000035088568 557300039 /nfs/dbraw/zinc/30/00/39/557300039.db2.gz DTSWGECSRZRXQY-TYPHKJRUSA-N 1 0 418.578 3.125 40 0 HGABRO C[C@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)CC(C)(C)C1 ZINC000035088574 557300154 /nfs/dbraw/zinc/30/01/54/557300154.db2.gz DTSWGECSRZRXQY-CEWLAPEOSA-N 1 0 418.578 3.125 40 0 HGABRO C[C@H]1/C(=C/C(=O)OCC[NH+](C)C)CC[C@@H]2[C@@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@@]21C ZINC000004804680 557599166 /nfs/dbraw/zinc/59/91/66/557599166.db2.gz GMHWATCMBXIANN-URCOGRNBSA-N 1 0 405.579 3.456 40 0 HGABRO CCOc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCc1ccccc1 ZINC000007541484 557746394 /nfs/dbraw/zinc/74/63/94/557746394.db2.gz IMLYGUTWQLFCAT-UHFFFAOYSA-N 1 0 413.547 3.460 40 0 HGABRO O=C(Cc1ccccc1)N1CCC(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000019748237 558267481 /nfs/dbraw/zinc/26/74/81/558267481.db2.gz GURWGZYBESUSPR-HSZRJFAPSA-N 1 0 411.590 3.335 40 0 HGABRO COc1ccc(NC(=O)c2cnc([C@H]3CC[N@H+](Cc4ccccn4)C3)nc2C)cc1 ZINC000019753824 558273073 /nfs/dbraw/zinc/27/30/73/558273073.db2.gz GJRZRPRTPSKUHN-KRWDZBQOSA-N 1 0 403.486 3.430 40 0 HGABRO CC(=O)N1c2ccc([C@H](O)C[NH+]3CCC(O)(c4ccccc4C)CC3)cc2C[C@H]1C ZINC000012146839 558338080 /nfs/dbraw/zinc/33/80/80/558338080.db2.gz KLVMYAZBIBJBJQ-HOYKHHGWSA-N 1 0 408.542 3.310 40 0 HGABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000012329584 558384333 /nfs/dbraw/zinc/38/43/33/558384333.db2.gz YGGHHNMUCCCVAX-WOJBJXKFSA-N 1 0 405.441 3.358 40 0 HGABRO Cc1cc(NCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2[nH+]1 ZINC000012362480 558387386 /nfs/dbraw/zinc/38/73/86/558387386.db2.gz FIMXZIHHIJVIJS-UHFFFAOYSA-N 1 0 424.526 3.060 40 0 HGABRO CSc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 ZINC000012366357 558388349 /nfs/dbraw/zinc/38/83/49/558388349.db2.gz NHLWWUSPZUMPQD-LIMIJEPZSA-N 1 0 411.571 3.401 40 0 HGABRO CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000036741185 558801793 /nfs/dbraw/zinc/80/17/93/558801793.db2.gz SBTNUWYLAXYPAN-HSZRJFAPSA-N 1 0 413.949 3.495 40 0 HGABRO Cc1c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000038850166 558818609 /nfs/dbraw/zinc/81/86/09/558818609.db2.gz MVXDUKLRAWYYFN-IBGZPJMESA-N 1 0 422.504 3.474 40 0 HGABRO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)no1)N1CCC(O)CC1 ZINC000019349009 558874913 /nfs/dbraw/zinc/87/49/13/558874913.db2.gz VINWMFBXDFEUCH-MRXNPFEDSA-N 1 0 403.910 3.305 40 0 HGABRO CC(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccc(O)cc4)CC3)ccc21 ZINC000057811746 558890888 /nfs/dbraw/zinc/89/08/88/558890888.db2.gz LBZBLIUNEQEHEQ-XMMPIXPASA-N 1 0 423.557 3.183 40 0 HGABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)c4cccnc4)[nH]c(=O)c3C2)CC1 ZINC000019496005 558895033 /nfs/dbraw/zinc/89/50/33/558895033.db2.gz CQPKXFWQMMWHKO-IAYYMHMVSA-N 1 0 421.545 3.491 40 0 HGABRO CCN1CC[N@H+](CC2=CCCOC2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527700 558908994 /nfs/dbraw/zinc/90/89/94/558908994.db2.gz MJBTXDRJRJPGOM-HSZRJFAPSA-N 1 0 405.542 3.418 40 0 HGABRO CCN1CC[N@H+](CC2=CCCOC2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527701 558909013 /nfs/dbraw/zinc/90/90/13/558909013.db2.gz MJBTXDRJRJPGOM-QHCPKHFHSA-N 1 0 405.542 3.418 40 0 HGABRO COc1ccc(CN(C(=O)c2cc(-c3cnn(C)c3C)on2)C2CC[NH+](C)CC2)cc1 ZINC000019554018 558917054 /nfs/dbraw/zinc/91/70/54/558917054.db2.gz ULVXQXWCKSWBET-UHFFFAOYSA-N 1 0 423.517 3.129 40 0 HGABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2NC(=O)c2ccncc2)cc1OC ZINC000019561460 558922227 /nfs/dbraw/zinc/92/22/27/558922227.db2.gz LYDWPWMNWPZXQX-YADHBBJMSA-N 1 0 417.509 3.497 40 0 HGABRO COc1ccccc1C[N@@H+]1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1 ZINC000019570200 558929036 /nfs/dbraw/zinc/92/90/36/558929036.db2.gz CPIROQMMDIVEPV-VWLOTQADSA-N 1 0 416.525 3.462 40 0 HGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)c(C)c1C ZINC000019577367 558933088 /nfs/dbraw/zinc/93/30/88/558933088.db2.gz ZXEZXIJEEGIYCL-SFHVURJKSA-N 1 0 405.502 3.232 40 0 HGABRO COc1cccc(C[N@@H+]2CCCC[C@H]3CN(C(=O)CCn4nc(C)cc4C)C[C@H]32)c1 ZINC000072330671 558935117 /nfs/dbraw/zinc/93/51/17/558935117.db2.gz UAVLEEZNEJETOJ-JTHBVZDNSA-N 1 0 410.562 3.412 40 0 HGABRO O[C@@H](C[N@H+]1CC=C(c2nc3c(c(N4CCOCC4)n2)CCCC3)CC1)c1ccccc1 ZINC000072339507 558938636 /nfs/dbraw/zinc/93/86/36/558938636.db2.gz WJAVWVKEQMNFDM-QHCPKHFHSA-N 1 0 420.557 3.015 40 0 HGABRO COc1ccc(CN(C(=O)CCn2ncc3c2CCCC3)C2CC[NH+](C)CC2)cc1 ZINC000019588140 558940137 /nfs/dbraw/zinc/94/01/37/558940137.db2.gz DVSINSAASCOLIV-UHFFFAOYSA-N 1 0 410.562 3.284 40 0 HGABRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1cc(F)cc(F)c1 ZINC000019595018 558945855 /nfs/dbraw/zinc/94/58/55/558945855.db2.gz UDOHPUFZBWOKHV-IERDGZPVSA-N 1 0 406.429 3.100 40 0 HGABRO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@H+](Cc4cnn(C)c4C)C3)c2)cn1 ZINC000072353656 558950671 /nfs/dbraw/zinc/95/06/71/558950671.db2.gz CDCGJMZTTBZIKR-IBGZPJMESA-N 1 0 418.545 3.233 40 0 HGABRO Cc1cccn2c(=O)c(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)cnc12 ZINC000019663163 558953984 /nfs/dbraw/zinc/95/39/84/558953984.db2.gz XMZRVDSDUDFJHT-UHFFFAOYSA-N 1 0 404.514 3.309 40 0 HGABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(S(=O)(=O)C3CCCC3)C2)[nH+]1 ZINC000072375057 558963397 /nfs/dbraw/zinc/96/33/97/558963397.db2.gz VSYOPPSDKWLPND-MRXNPFEDSA-N 1 0 401.536 3.375 40 0 HGABRO COc1cc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc2c1OCO2 ZINC000072392863 558972455 /nfs/dbraw/zinc/97/24/55/558972455.db2.gz YXBNTDVQJSFVJS-UHFFFAOYSA-N 1 0 420.469 3.361 40 0 HGABRO CCSc1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 ZINC000072393032 558972798 /nfs/dbraw/zinc/97/27/98/558972798.db2.gz HXJPYOPQHOJTMW-KRWDZBQOSA-N 1 0 408.531 3.114 40 0 HGABRO Cc1cn2c(ncc(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)c2=O)s1 ZINC000019717091 558979417 /nfs/dbraw/zinc/97/94/17/558979417.db2.gz FFXAGTVBIOMQMU-UHFFFAOYSA-N 1 0 412.515 3.181 40 0 HGABRO Cc1noc(C)c1COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 ZINC000257269318 558997023 /nfs/dbraw/zinc/99/70/23/558997023.db2.gz MPLPNSQZVZNPND-SFTDATJTSA-N 1 0 421.488 3.147 40 0 HGABRO Cn1cc(C(=O)N2CCC3(CCC[N@H+](Cc4ccccn4)C3)CC2)c(C(F)F)n1 ZINC000585099798 559024417 /nfs/dbraw/zinc/02/44/17/559024417.db2.gz BEDPQNIWFBLPMQ-UHFFFAOYSA-N 1 0 403.477 3.271 40 0 HGABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)cc1 ZINC000585103462 559026633 /nfs/dbraw/zinc/02/66/33/559026633.db2.gz GLBISVXFEJOGIG-FKBYEOEOSA-N 1 0 400.563 3.242 40 0 HGABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)cc1F ZINC000585104605 559027119 /nfs/dbraw/zinc/02/71/19/559027119.db2.gz RJTNYKKYGPPIDW-ACRUOGEOSA-N 1 0 418.553 3.381 40 0 HGABRO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)c1 ZINC000585104785 559027313 /nfs/dbraw/zinc/02/73/13/559027313.db2.gz SPNGSOSXQJXAFG-FQEVSTJZSA-N 1 0 409.530 3.239 40 0 HGABRO CCCCN(C)C(=O)c1ncn2c1nccc2C1CC[NH+](Cc2ccncc2)CC1 ZINC000096155745 559099859 /nfs/dbraw/zinc/09/98/59/559099859.db2.gz HADJJFLXNDILKM-UHFFFAOYSA-N 1 0 406.534 3.376 40 0 HGABRO O=C(NCc1cccnc1)c1ccc2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000096156153 559100192 /nfs/dbraw/zinc/10/01/92/559100192.db2.gz YYGFYJWSTMDCIC-HXUWFJFHSA-N 1 0 412.497 3.044 40 0 HGABRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000096221006 559102002 /nfs/dbraw/zinc/10/20/02/559102002.db2.gz BXNCVVLFISVFAA-HXUWFJFHSA-N 1 0 418.534 3.270 40 0 HGABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(C(=O)c1cccc(Cl)c1)CC3 ZINC000096262441 559106526 /nfs/dbraw/zinc/10/65/26/559106526.db2.gz XUWGXGFNANBZJC-PGRDOPGGSA-N 1 0 403.954 3.040 40 0 HGABRO CC(=O)N[C@@H]1C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@H](O)[C@H]1[N@H+](C)Cc1ccccc1 ZINC000585262434 559110998 /nfs/dbraw/zinc/11/09/98/559110998.db2.gz DPEHPWHMVSVOBD-CGXNFDGLSA-N 1 0 422.447 3.223 40 0 HGABRO COCCOc1cc(C[N@H+](C)C[C@H](O)COc2ccc(C)cc2C)ccc1OC ZINC000585262493 559111017 /nfs/dbraw/zinc/11/10/17/559111017.db2.gz FTDJUZXEDTZFLE-FQEVSTJZSA-N 1 0 403.519 3.209 40 0 HGABRO Cc1cc(OC[C@]2(O)CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)cc(C)c1Cl ZINC000585271571 559115779 /nfs/dbraw/zinc/11/57/79/559115779.db2.gz HKBVUSPECSSKGS-QFIPXVFZSA-N 1 0 408.970 3.421 40 0 HGABRO COCCOc1cc(C[NH+]2CCC(O)(COc3ccccc3F)CC2)ccc1OC ZINC000585270500 559116334 /nfs/dbraw/zinc/11/63/34/559116334.db2.gz LLKQEYHPQSHJAG-UHFFFAOYSA-N 1 0 419.493 3.265 40 0 HGABRO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)C[NH2+]CCO2)ccc1Cl ZINC000585271334 559116596 /nfs/dbraw/zinc/11/65/96/559116596.db2.gz FCHHHDQBYKAWPO-QFIPXVFZSA-N 1 0 402.922 3.435 40 0 HGABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](CC(=O)NCc3cccc(F)c3)CC2)c(C)c1 ZINC000585272422 559118021 /nfs/dbraw/zinc/11/80/21/559118021.db2.gz ITLIASLVQGIYGD-DEOSSOPVSA-N 1 0 414.521 3.355 40 0 HGABRO COC[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CC[N@H+](CCc2ccccc2)C1 ZINC000072354495 559185708 /nfs/dbraw/zinc/18/57/08/559185708.db2.gz WWIZTLHWCNBEPG-NRFANRHFSA-N 1 0 405.542 3.360 40 0 HGABRO CCCc1onc(C)c1C(=O)N1CC2(C1)CC[C@H](C[N@H+](C)Cc1cccnc1)CO2 ZINC000575402529 560546715 /nfs/dbraw/zinc/54/67/15/560546715.db2.gz CACGUGMMQKQAQO-LJQANCHMSA-N 1 0 412.534 3.084 40 0 HGABRO Cc1cccc2cc(CN(Cc3cccnc3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c12 ZINC000004127155 560599048 /nfs/dbraw/zinc/59/90/48/560599048.db2.gz ZSIAZVSWMSWJIF-UHFFFAOYSA-N 1 0 423.586 3.060 40 0 HGABRO Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 ZINC000409052397 560669539 /nfs/dbraw/zinc/66/95/39/560669539.db2.gz DOUKIGIQNHZFPB-KSYIGNPDSA-O 1 0 402.449 3.150 40 0 HGABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccccc2)c1 ZINC000409058911 560670806 /nfs/dbraw/zinc/67/08/06/560670806.db2.gz ZKIXRYUOJCKGJP-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@H]1c1ccccc1)c1ccccc1 ZINC000409060048 560671048 /nfs/dbraw/zinc/67/10/48/560671048.db2.gz VAKLZXHPWMTFTJ-UGYRXPJGSA-O 1 0 404.877 3.356 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409061016 560672753 /nfs/dbraw/zinc/67/27/53/560672753.db2.gz BMOJUHRJCJKIAF-CIPQKONYSA-O 1 0 422.867 3.495 40 0 HGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409072751 560673440 /nfs/dbraw/zinc/67/34/40/560673440.db2.gz SHFZIPDYQJCLRN-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO COC(=O)[C@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000104141766 560735261 /nfs/dbraw/zinc/73/52/61/560735261.db2.gz BXXHLOUIOGUWCB-INDMIFKZSA-N 1 0 408.841 3.028 40 0 HGABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 ZINC000223253810 568542710 /nfs/dbraw/zinc/54/27/10/568542710.db2.gz FWIDIAQASONVME-HUUCEWRRSA-N 1 0 411.394 3.440 40 0 HGABRO COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223279481 568543978 /nfs/dbraw/zinc/54/39/78/568543978.db2.gz PXHMPDDDKLBOJN-FGZHOGPDSA-N 1 0 421.570 3.415 40 0 HGABRO Cc1cccc(N(CCCC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)c1C ZINC000223285792 568544121 /nfs/dbraw/zinc/54/41/21/568544121.db2.gz HCTXRIBCKAPNFQ-UHFFFAOYSA-N 1 0 423.623 3.088 40 0 HGABRO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1C[C@@H]1CCCO1 ZINC000223299464 568544491 /nfs/dbraw/zinc/54/44/91/568544491.db2.gz VAWSLDHIIGMQII-WMQCIHAUSA-N 1 0 405.527 3.419 40 0 HGABRO CCS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224669782 568591653 /nfs/dbraw/zinc/59/16/53/568591653.db2.gz UDTQCIGIIDXFEB-UHFFFAOYSA-N 1 0 415.559 3.364 40 0 HGABRO Cc1ccc(NC(=O)c2c(NC(=O)CN3CC[NH2+]CC3)sc3c2CCCC3)cc1 ZINC000020470346 568610880 /nfs/dbraw/zinc/61/08/80/568610880.db2.gz XDCDSFJHXZJHPL-UHFFFAOYSA-N 1 0 412.559 3.031 40 0 HGABRO COc1cc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)cc(OC)c1OC ZINC000225231948 568624921 /nfs/dbraw/zinc/62/49/21/568624921.db2.gz XCEGYJLZWSTHIR-UHFFFAOYSA-N 1 0 416.547 3.058 40 0 HGABRO C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000225650044 568659955 /nfs/dbraw/zinc/65/99/55/568659955.db2.gz XSTCSVUSEOSDIB-SFHVURJKSA-N 1 0 422.525 3.406 40 0 HGABRO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225902062 568684844 /nfs/dbraw/zinc/68/48/44/568684844.db2.gz JOYKHAQFMSMNLT-LJQANCHMSA-N 1 0 415.559 3.096 40 0 HGABRO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1C[C@H]1CCCO1 ZINC000260925526 568744466 /nfs/dbraw/zinc/74/44/66/568744466.db2.gz VAWSLDHIIGMQII-DUXKGJEZSA-N 1 0 405.527 3.419 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000225661612 568778347 /nfs/dbraw/zinc/77/83/47/568778347.db2.gz FYDSZLRCGNAQST-BJLQDIEVSA-N 1 0 407.919 3.096 40 0 HGABRO O=C(C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cnccn1)Nc1ccc2c(c1)OCCCO2 ZINC000257237875 568786985 /nfs/dbraw/zinc/78/69/85/568786985.db2.gz HIPNQOGKFXBSNX-DBXWQHBBSA-N 1 0 422.529 3.167 40 0 HGABRO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000257240820 568787719 /nfs/dbraw/zinc/78/77/19/568787719.db2.gz HVHYUEZWWBDAGG-HFMPRLQTSA-N 1 0 413.562 3.318 40 0 HGABRO O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257262278 568793450 /nfs/dbraw/zinc/79/34/50/568793450.db2.gz LKUNWAMUQXQQDK-NRFANRHFSA-N 1 0 418.488 3.165 40 0 HGABRO CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CCO2)n1 ZINC000257263693 568793912 /nfs/dbraw/zinc/79/39/12/568793912.db2.gz LRBGPCZLPYEOKV-NRFANRHFSA-N 1 0 412.534 3.383 40 0 HGABRO CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O ZINC000257290330 568801637 /nfs/dbraw/zinc/80/16/37/568801637.db2.gz QCLMHPRLBNDHPF-ANRPBIDPSA-N 1 0 414.590 3.422 40 0 HGABRO CC[NH+]1CCC(CC(=O)N2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)CC1 ZINC000257295729 568803145 /nfs/dbraw/zinc/80/31/45/568803145.db2.gz QZPYIPKBBYKKBM-IBGZPJMESA-N 1 0 408.550 3.443 40 0 HGABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)[nH+]1 ZINC000257326279 568812166 /nfs/dbraw/zinc/81/21/66/568812166.db2.gz WWOXYNLUAXOTAM-MRXNPFEDSA-N 1 0 404.511 3.403 40 0 HGABRO CC(=O)N1CC[C@@H]2[C@H](C1)CCCCN2C(=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000257334058 568814448 /nfs/dbraw/zinc/81/44/48/568814448.db2.gz YEIMKJAEFSTJFT-JTHBVZDNSA-N 1 0 413.562 3.024 40 0 HGABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)CN4CCOCC4)C3)c2)cc1 ZINC000257342718 568816851 /nfs/dbraw/zinc/81/68/51/568816851.db2.gz ZPWAHEUTFKQUJT-IBGZPJMESA-N 1 0 424.545 3.180 40 0 HGABRO CC(C)C[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1O2 ZINC000306125353 568888274 /nfs/dbraw/zinc/88/82/74/568888274.db2.gz CNHWYZPEIGWNMZ-JOCHJYFZSA-N 1 0 400.544 3.370 40 0 HGABRO O=C(NCCc1ccncc1)C1=NO[C@H]2CCC3(CC[NH+](CC4CCCC4)CC3)[C@@H]12 ZINC000306125808 568888536 /nfs/dbraw/zinc/88/85/36/568888536.db2.gz DCWCOZWQQOLXBP-LEWJYISDSA-N 1 0 410.562 3.178 40 0 HGABRO O=C(NCC1CCCCC1)C1CCN(C2=NO[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000306125827 568888576 /nfs/dbraw/zinc/88/85/76/568888576.db2.gz DDDYMHSPRXAZRJ-DHIUTWEWSA-N 1 0 424.589 3.239 40 0 HGABRO Cc1cc(C)cc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)c1 ZINC000306127648 568890606 /nfs/dbraw/zinc/89/06/06/568890606.db2.gz GEBFPOKBYIOBEZ-NOZRDPDXSA-N 1 0 405.542 3.305 40 0 HGABRO COc1cc(C)cc(OC)c1C[N@@H+]1CC[C@]2(C1)COCc1cnc(NC3CC3)nc12 ZINC000306128474 568891467 /nfs/dbraw/zinc/89/14/67/568891467.db2.gz HBBMGZQFFWTMNM-QHCPKHFHSA-N 1 0 410.518 3.050 40 0 HGABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4sccc4C)C[C@H]2C3)cc1 ZINC000306129320 568891923 /nfs/dbraw/zinc/89/19/23/568891923.db2.gz IAPYCKYCWPMVEG-CVEARBPZSA-N 1 0 423.542 3.213 40 0 HGABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306131034 568893419 /nfs/dbraw/zinc/89/34/19/568893419.db2.gz JVFRVUVEBYCXLK-DLBZAZTESA-N 1 0 407.905 3.488 40 0 HGABRO COc1ccc(-c2nnc3n(c2=O)CC[C@]32CC[N@H+](Cc3cc(C)cc(C)c3)C2)cc1 ZINC000306134402 568896291 /nfs/dbraw/zinc/89/62/91/568896291.db2.gz NMCNPGIGXIISCO-VWLOTQADSA-N 1 0 416.525 3.478 40 0 HGABRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](CNC(=O)c4ccc(C)cc4)O3)C2)cc1 ZINC000306135789 568897699 /nfs/dbraw/zinc/89/76/99/568897699.db2.gz PAXKMWPDJXWEKB-UKILVPOCSA-N 1 0 408.542 3.483 40 0 HGABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306136574 568898399 /nfs/dbraw/zinc/89/83/99/568898399.db2.gz PXHLWRKVAIHQRS-SJORKVTESA-N 1 0 407.905 3.488 40 0 HGABRO Cc1ccsc1C[N@H+]1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306138937 568900859 /nfs/dbraw/zinc/90/08/59/568900859.db2.gz SLDIFKOWBQPBHO-CABCVRRESA-N 1 0 411.506 3.344 40 0 HGABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(C(C)C)[C@H](C(=O)N(C)C)c2cncn23)cc1C ZINC000306141694 568903330 /nfs/dbraw/zinc/90/33/30/568903330.db2.gz WEDYNSPETDNYLO-QHCPKHFHSA-N 1 0 423.605 3.345 40 0 HGABRO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306142362 568903962 /nfs/dbraw/zinc/90/39/62/568903962.db2.gz WXCGURHISQFEKK-ISKFKSNPSA-N 1 0 403.482 3.072 40 0 HGABRO COc1ccc(NC(=O)c2nnc3n2C2(CC3)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000306142361 568903972 /nfs/dbraw/zinc/90/39/72/568903972.db2.gz WXAJDCCUUHZKMH-UHFFFAOYSA-N 1 0 417.513 3.477 40 0 HGABRO CC(C)n1nccc1[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@]12CCCN(C)C2=O ZINC000306142610 568904178 /nfs/dbraw/zinc/90/41/78/568904178.db2.gz XEIXNGRUGWLIMM-FDDCHVKYSA-N 1 0 410.518 3.031 40 0 HGABRO COCCN1CC[C@@]2(C[N@H+](Cc3cccc(F)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306142631 568904258 /nfs/dbraw/zinc/90/42/58/568904258.db2.gz XFANLWNYGVXSAO-OFNKIYASSA-N 1 0 414.525 3.068 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2F)cc(-c2ccccn2)n1 ZINC000328973608 568970633 /nfs/dbraw/zinc/97/06/33/568970633.db2.gz FAWBWLJOTAADTH-UHFFFAOYSA-N 1 0 400.889 3.282 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000329001355 568971982 /nfs/dbraw/zinc/97/19/82/568971982.db2.gz KDSGSANVNWASCY-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO COc1ccc(Nc2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329063399 568975238 /nfs/dbraw/zinc/97/52/38/568975238.db2.gz XDWXWCLZRLPBLY-UHFFFAOYSA-N 1 0 423.361 3.084 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2c(F)cccc2Cl)cc(-c2cccnc2)n1 ZINC000329071613 568975797 /nfs/dbraw/zinc/97/57/97/568975797.db2.gz ZRNTXBSEGOVPSU-UHFFFAOYSA-N 1 0 400.889 3.282 40 0 HGABRO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@@H](O)[C@H]12 ZINC000002126541 569024440 /nfs/dbraw/zinc/02/44/40/569024440.db2.gz SYTZVGPWDLPTPO-IIMJTQLYSA-N 1 0 413.558 3.325 40 0 HGABRO COCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062849 569342221 /nfs/dbraw/zinc/34/22/21/569342221.db2.gz HUWNVZKGJGZPCW-UHFFFAOYSA-N 1 0 409.530 3.304 40 0 HGABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000012291290 569344742 /nfs/dbraw/zinc/34/47/42/569344742.db2.gz LFWQSCDXWXCRGA-NOZRDPDXSA-N 1 0 424.541 3.011 40 0 HGABRO Cn1cnc(S(=O)(=O)N2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)c1 ZINC000019713533 569348388 /nfs/dbraw/zinc/34/83/88/569348388.db2.gz CMPHFAFNMBHMEL-ZJOUEHCJSA-N 1 0 402.564 3.189 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(CC)cc1 ZINC000242463756 569422345 /nfs/dbraw/zinc/42/23/45/569422345.db2.gz DJLLEEVARYHFGM-SFHLNBCPSA-N 1 0 421.946 3.350 40 0 HGABRO CNc1cc(CN(C)C(=O)CCCc2ccc(F)c(C)c2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709591 569428910 /nfs/dbraw/zinc/42/89/10/569428910.db2.gz UKCKXBQQHCWUSP-GOSISDBHSA-N 1 0 413.541 3.414 40 0 HGABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)n1 ZINC000019709621 569428928 /nfs/dbraw/zinc/42/89/28/569428928.db2.gz DYNPEJWDHCLYES-QGZVFWFLSA-N 1 0 415.969 3.254 40 0 HGABRO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](C3CCOCC3)C2)cc1 ZINC000005433842 291232046 /nfs/dbraw/zinc/23/20/46/291232046.db2.gz QLJOTKRTOXAILE-PKOBYXMFSA-N 1 0 407.514 3.072 40 0 biogenic,in-vitro HGABRO CN(C)C(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000008299139 291235117 /nfs/dbraw/zinc/23/51/17/291235117.db2.gz RHEGSCLUDRJLLO-ZLNRFVROSA-N 1 0 415.541 3.411 40 0 biogenic,in-vitro HGABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(COc2ccccc2)on1)NCc1ccco1 ZINC000015673575 291242987 /nfs/dbraw/zinc/24/29/87/291242987.db2.gz DHPADCWDGQWZPM-ROUUACIJSA-N 1 0 409.486 3.321 40 0 biogenic,in-vitro HGABRO CC[NH+](CC)CC[C@](O)(c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1 ZINC000001671002 557279717 /nfs/dbraw/zinc/27/97/17/557279717.db2.gz WTNYYRBXOPUIBO-QHCPKHFHSA-N 1 0 417.502 3.409 40 0 HGABRO COc1cccc(C[NH2+]CCCSc2nnnn2C)c1OCc1ccccc1F ZINC000007541470 557746360 /nfs/dbraw/zinc/74/63/60/557746360.db2.gz UYDMEYIKTSPVBK-UHFFFAOYSA-N 1 0 417.510 3.209 40 0 HGABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763530 558277342 /nfs/dbraw/zinc/27/73/42/558277342.db2.gz IIUXONHOYKIPES-HXUWFJFHSA-N 1 0 401.514 3.490 40 0 HGABRO Cn1cc([C@@H](O)C[NH+]2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc21 ZINC000012134903 558333453 /nfs/dbraw/zinc/33/34/53/558333453.db2.gz LDQZDEGBXIXXDK-QHCPKHFHSA-N 1 0 404.514 3.089 40 0 HGABRO C[NH+]1CCN(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)CC1 ZINC000020106211 558333470 /nfs/dbraw/zinc/33/34/70/558333470.db2.gz VGZQRYHTJAEOKY-UHFFFAOYSA-N 1 0 413.587 3.225 40 0 HGABRO CCn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2ccccc21 ZINC000012134010 558333508 /nfs/dbraw/zinc/33/35/08/558333508.db2.gz PFVTWCGJXWLOCF-VXMMSVGHSA-N 1 0 406.530 3.084 40 0 HGABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@H+](Cc3ccncc3C)C1)O2 ZINC000012135354 558333777 /nfs/dbraw/zinc/33/37/77/558333777.db2.gz NWGAKYWNWYAROQ-RDPSFJRHSA-N 1 0 409.530 3.420 40 0 HGABRO CC(=O)N1c2ccc([C@@H](O)C[NH+]3CCC(O)(c4ccccc4C)CC3)cc2C[C@@H]1C ZINC000012146838 558338114 /nfs/dbraw/zinc/33/81/14/558338114.db2.gz KLVMYAZBIBJBJQ-UUOWRZLLSA-N 1 0 408.542 3.310 40 0 HGABRO O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012183530 558343907 /nfs/dbraw/zinc/34/39/07/558343907.db2.gz IJXPNGHJYMIKET-UHFFFAOYSA-N 1 0 419.525 3.007 40 0 HGABRO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+](Cc4ccc(OC)cc4OC)[C@H]3C2)cc1 ZINC000012188377 558347406 /nfs/dbraw/zinc/34/74/06/558347406.db2.gz MNEVJVCDJDKOOC-GCJKJVERSA-N 1 0 410.514 3.449 40 0 HGABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329331 558384021 /nfs/dbraw/zinc/38/40/21/558384021.db2.gz ZUOGIJIWJSTVCM-WOJBJXKFSA-N 1 0 411.498 3.150 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(CC)cc1 ZINC000020636818 558396121 /nfs/dbraw/zinc/39/61/21/558396121.db2.gz DZNASELIPNGVDN-SFTDATJTSA-N 1 0 405.498 3.014 40 0 HGABRO CC(=O)c1ccc2c(c1)N(CCCN1CC[NH+](CCO)CC1)c1ccccc1S2 ZINC000022446634 558489876 /nfs/dbraw/zinc/48/98/76/558489876.db2.gz WNTYBHLDCKXEOT-UHFFFAOYSA-N 1 0 411.571 3.492 40 0 world HGABRO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCC[NH+]3CCCC3)ccc2C)cc1 ZINC000013676339 558564647 /nfs/dbraw/zinc/56/46/47/558564647.db2.gz PLOWLABXLBYGTO-UHFFFAOYSA-N 1 0 415.559 3.320 40 0 HGABRO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC[NH+]3CCCCC3)c2C)cc1 ZINC000013679942 558566052 /nfs/dbraw/zinc/56/60/52/558566052.db2.gz UDKRHVUOMJNCHI-UHFFFAOYSA-N 1 0 415.559 3.320 40 0 HGABRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000016399582 558789653 /nfs/dbraw/zinc/78/96/53/558789653.db2.gz WCXKKAFWEQPOFU-UHFFFAOYSA-N 1 0 414.502 3.384 40 0 HGABRO Cc1ncc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000036734293 558801155 /nfs/dbraw/zinc/80/11/55/558801155.db2.gz SSIKNOMZEAAOPT-KNQAVFIVSA-N 1 0 411.525 3.095 40 0 HGABRO COc1cc(C[NH+]2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)cc(OC)c1OC ZINC000019020446 558837754 /nfs/dbraw/zinc/83/77/54/558837754.db2.gz CSMLIAZRSCHTNI-JOCHJYFZSA-N 1 0 413.518 3.197 40 0 HGABRO CC(C)(C)C1CCN(C(=O)C[N@@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019082363 558840042 /nfs/dbraw/zinc/84/00/42/558840042.db2.gz HPZVFIVUJOWLKF-SFHVURJKSA-N 1 0 414.594 3.044 40 0 HGABRO Cn1nc(-c2ccc(CNC(=O)c3cc(C(C)(C)C)nn3C)cc2)cc1C[NH+](C)C ZINC000019083818 558840560 /nfs/dbraw/zinc/84/05/60/558840560.db2.gz RFAXBZLOFSIXDB-UHFFFAOYSA-N 1 0 408.550 3.110 40 0 HGABRO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000019083717 558840582 /nfs/dbraw/zinc/84/05/82/558840582.db2.gz GHTARBLEMXMHBB-UHFFFAOYSA-N 1 0 412.513 3.201 40 0 HGABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H](C)[NH+]3CCCCC3)C1)N2 ZINC000019127287 558844738 /nfs/dbraw/zinc/84/47/38/558844738.db2.gz CRIDRIBBLXSDEO-XLAORIBOSA-N 1 0 409.525 3.295 40 0 HGABRO Cc1ccc([C@H](NC(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)c2ccncc2)cc1C ZINC000019213515 558849274 /nfs/dbraw/zinc/84/92/74/558849274.db2.gz KLXJHJNOELDXIP-LADGPHEKSA-N 1 0 420.557 3.037 40 0 HGABRO Cc1ccc2c(c1)C(=O)N(CC(=O)NC1CCCCCC1)CC1(CC[NH+](C)CC1)O2 ZINC000019218573 558851230 /nfs/dbraw/zinc/85/12/30/558851230.db2.gz GATLVVAZLRJZCU-UHFFFAOYSA-N 1 0 413.562 3.133 40 0 HGABRO Cc1nc2c(C)cccn2c1C[N@@H+]1C[C@@H](c2cccnc2)[C@]2(C1)CCCCC(=O)N2 ZINC000019237593 558856813 /nfs/dbraw/zinc/85/68/13/558856813.db2.gz DROGAZVFAAUKBV-GBXCKJPGSA-N 1 0 403.530 3.375 40 0 HGABRO Cn1nc(-c2cccnc2)cc1C[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000019288972 558861824 /nfs/dbraw/zinc/86/18/24/558861824.db2.gz IKZOAGGBDXFSIX-UHFFFAOYSA-N 1 0 403.530 3.196 40 0 HGABRO O=C(c1cc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)no1)N1CCC[C@@H](O)C1 ZINC000019293390 558865082 /nfs/dbraw/zinc/86/50/82/558865082.db2.gz SGVHUAQHXUUUOJ-GOSISDBHSA-N 1 0 403.910 3.305 40 0 HGABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@@H+](C4CCCCC4)C3)nc2C1 ZINC000019347678 558873974 /nfs/dbraw/zinc/87/39/74/558873974.db2.gz QVCFFIRGGUVORS-INIZCTEOSA-N 1 0 424.520 3.230 40 0 HGABRO O=C1CCCN1c1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000019374912 558881437 /nfs/dbraw/zinc/88/14/37/558881437.db2.gz USBVQOHNEULINU-FCHUYYIVSA-N 1 0 422.525 3.198 40 0 HGABRO COc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)c1 ZINC000019448347 558887366 /nfs/dbraw/zinc/88/73/66/558887366.db2.gz RJQRWQPPNFNZQI-NRFANRHFSA-N 1 0 424.545 3.254 40 0 HGABRO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCC[C@H](C[NH+](C)C)C3)cc2N1 ZINC000019451152 558889308 /nfs/dbraw/zinc/88/93/08/558889308.db2.gz CSNYNUISRLKSJW-IJEWVQPXSA-N 1 0 401.477 3.241 40 0 HGABRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019456286 558892087 /nfs/dbraw/zinc/89/20/87/558892087.db2.gz SVCOQXYWYFMBTM-DENIHFKCSA-N 1 0 424.541 3.216 40 0 HGABRO COc1ccc(C[NH+]2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019497328 558896124 /nfs/dbraw/zinc/89/61/24/558896124.db2.gz XNPVNHNHCLHSGT-CALCHBBNSA-N 1 0 412.534 3.047 40 0 HGABRO CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)cc2N1 ZINC000019520591 558901690 /nfs/dbraw/zinc/90/16/90/558901690.db2.gz NXZPXSZEBFGIOW-IIAWOOMASA-N 1 0 401.477 3.431 40 0 HGABRO CCN1CC[N@H+](CC2=CCCOC2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527750 558909024 /nfs/dbraw/zinc/90/90/24/558909024.db2.gz XPTXSBFDJQLNKG-HSZRJFAPSA-N 1 0 405.542 3.418 40 0 HGABRO Cc1cc(C)c(-n2cccn2)c(C[N@H+](CCN2CCOCC2)Cc2cccnc2)c1 ZINC000019566880 558926454 /nfs/dbraw/zinc/92/64/54/558926454.db2.gz CAQCMGLDLKUZCY-UHFFFAOYSA-N 1 0 405.546 3.219 40 0 HGABRO CNc1cc(C2CC[NH+](Cc3c(C)nn(C)c3OC)CC2)nc(-c2cccnc2)n1 ZINC000019577942 558933783 /nfs/dbraw/zinc/93/37/83/558933783.db2.gz YAOLROUNYPZCGT-UHFFFAOYSA-N 1 0 407.522 3.010 40 0 HGABRO CN(CC[NH+](C)C)c1nc(-c2ccccn2)nc2c1CN(Cc1ccccc1)CC2 ZINC000072339918 558938695 /nfs/dbraw/zinc/93/86/95/558938695.db2.gz MBBWKGYMOOZNEA-UHFFFAOYSA-N 1 0 402.546 3.095 40 0 HGABRO C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2cnc(N3CCCCC3)nc2)CC1 ZINC000019588133 558940108 /nfs/dbraw/zinc/94/01/08/558940108.db2.gz XOSLYHNTTIITGA-UHFFFAOYSA-N 1 0 407.562 3.246 40 0 HGABRO COCc1ccc(OC)c(C[NH+]2CCC(c3cc(=O)[nH]c(-c4cnccn4)n3)CC2)c1 ZINC000019594335 558945121 /nfs/dbraw/zinc/94/51/21/558945121.db2.gz AXNBWOVSYPLYFV-UHFFFAOYSA-N 1 0 421.501 3.174 40 0 HGABRO CC1CC[NH+](CCOc2ccccc2NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000019654898 558948218 /nfs/dbraw/zinc/94/82/18/558948218.db2.gz AELWKMPGHSUQNU-SFHVURJKSA-N 1 0 401.551 3.383 40 0 HGABRO Cc1ccnn1CCNC(=O)C1(Cc2cccc([C@H]3CCC[N@@H+](C)C3)c2)CCOCC1 ZINC000072372226 558959445 /nfs/dbraw/zinc/95/94/45/558959445.db2.gz WAINUXBZYLSARP-QHCPKHFHSA-N 1 0 424.589 3.156 40 0 HGABRO COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000019695096 558963512 /nfs/dbraw/zinc/96/35/12/558963512.db2.gz BHUOIJDYRVCIMN-UHFFFAOYSA-N 1 0 423.561 3.020 40 0 HGABRO Cc1cnc(-c2nc(C[N@@H+](C)CC(C)C)ncc2C(=O)NCc2ccccc2)cn1 ZINC000019696900 558964657 /nfs/dbraw/zinc/96/46/57/558964657.db2.gz MLQIDQCHLRICKJ-UHFFFAOYSA-N 1 0 404.518 3.260 40 0 HGABRO CCc1cc(CNC(=O)c2ccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)nc2)on1 ZINC000019706001 558968498 /nfs/dbraw/zinc/96/84/98/558968498.db2.gz XQOGOCDQLRGPJE-GOSISDBHSA-N 1 0 405.502 3.337 40 0 HGABRO COCCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 ZINC000072395326 558974129 /nfs/dbraw/zinc/97/41/29/558974129.db2.gz VNYLCXRKCRLXON-MRXNPFEDSA-N 1 0 417.460 3.467 40 0 HGABRO c1ccc(OCCn2nc(C3CC[NH+](C4CCOCC4)CC3)c3nccnc32)cc1 ZINC000072395869 558974860 /nfs/dbraw/zinc/97/48/60/558974860.db2.gz QWDYESMAQSEQCH-UHFFFAOYSA-N 1 0 407.518 3.264 40 0 HGABRO C[C@@H]1C[C@@H]1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)C[N@H+](CC2CCCCC2)CC3)CC1 ZINC000072398734 558976381 /nfs/dbraw/zinc/97/63/81/558976381.db2.gz DJNQQKJQDPXHIO-APWZRJJASA-N 1 0 412.578 3.070 40 0 HGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369852 559030908 /nfs/dbraw/zinc/03/09/08/559030908.db2.gz WRMKBSBJQCLVBI-FYHVMQNLSA-N 1 0 424.585 3.089 40 0 HGABRO O=C(Cc1ccccn1)N1CCC2(C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000585113452 559031218 /nfs/dbraw/zinc/03/12/18/559031218.db2.gz IZIJXUGNGWMVOB-VWLOTQADSA-N 1 0 405.542 3.155 40 0 HGABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052820 559092497 /nfs/dbraw/zinc/09/24/97/559092497.db2.gz SUPOOBCHTHODBM-NRFANRHFSA-N 1 0 405.542 3.352 40 0 HGABRO Cn1cc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NCC2CC2)c2ccccc2O3)cn1 ZINC000096053091 559092915 /nfs/dbraw/zinc/09/29/15/559092915.db2.gz KJFOQCYGEZHQIC-FQEVSTJZSA-N 1 0 408.546 3.237 40 0 HGABRO CCN1[C@H]2CC[N@H+](Cc3ccc(C)cc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145734 559097565 /nfs/dbraw/zinc/09/75/65/559097565.db2.gz QQADITIIEVYLFB-PMACEKPBSA-N 1 0 400.544 3.431 40 0 HGABRO COc1ccc(-c2ncnc3c2c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c2ccccn23)cc1 ZINC000096146690 559098045 /nfs/dbraw/zinc/09/80/45/559098045.db2.gz NUARHEZTOSVPNR-QGZVFWFLSA-N 1 0 415.497 3.334 40 0 HGABRO C[N@@H+]1CCCN(C(=O)c2nc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)CC1 ZINC000096155008 559099316 /nfs/dbraw/zinc/09/93/16/559099316.db2.gz QWMRWZJXZQNLJB-UHFFFAOYSA-N 1 0 414.513 3.024 40 0 HGABRO C[NH+](C)C1CCN(C(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn32)CC1 ZINC000096155250 559099503 /nfs/dbraw/zinc/09/95/03/559099503.db2.gz WQPZULOZAJDEBS-UHFFFAOYSA-N 1 0 414.513 3.353 40 0 HGABRO Cn1cnc2c1cc(C1CC[NH+](Cc3ccccc3F)CC1)nc2N1CCOCC1 ZINC000096155596 559099714 /nfs/dbraw/zinc/09/97/14/559099714.db2.gz USWZKIGFPXWFJD-UHFFFAOYSA-N 1 0 409.509 3.324 40 0 HGABRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(S(=O)(=O)c4cccs4)C3)C2)c1 ZINC000096215604 559101758 /nfs/dbraw/zinc/10/17/58/559101758.db2.gz WKYJZKUXLHSYLW-HXUWFJFHSA-N 1 0 406.573 3.434 40 0 HGABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)CN(C(=O)c1cnccn1)Cc1ccccc12 ZINC000096242604 559104238 /nfs/dbraw/zinc/10/42/38/559104238.db2.gz DJEDUQUMNWPLSG-UHFFFAOYSA-N 1 0 417.513 3.271 40 0 HGABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)c3cc(F)cc(F)c3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096262741 559106690 /nfs/dbraw/zinc/10/66/90/559106690.db2.gz XQEVQDVORQRQKS-QHCPKHFHSA-N 1 0 419.516 3.007 40 0 HGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287806 559123167 /nfs/dbraw/zinc/12/31/67/559123167.db2.gz SEVNESIAQBTRKE-NMNUPHIUSA-N 1 0 409.542 3.235 40 0 HGABRO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257200446 559282437 /nfs/dbraw/zinc/28/24/37/559282437.db2.gz ADJHPNMTZBMAQS-XMMPIXPASA-N 1 0 422.504 3.268 40 0 HGABRO Cn1ccnc1COc1ccc(C[N@H+](C)C[C@@H](O)Cn2ccc3ccccc32)cc1 ZINC000257233509 559283876 /nfs/dbraw/zinc/28/38/76/559283876.db2.gz GPOZASHGLJDGQA-OAQYLSRUSA-N 1 0 404.514 3.447 40 0 HGABRO Cn1ccc2cc(C(=O)N3CC4(C3)CC[C@@H](C[N@H+](C)Cc3cccnc3)CO4)ccc21 ZINC000575402996 560546865 /nfs/dbraw/zinc/54/68/65/560546865.db2.gz FLYJQPHVVCYKDK-FQEVSTJZSA-N 1 0 418.541 3.327 40 0 HGABRO C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccncc2)n1CCC[NH+](C)C ZINC000004130374 560599522 /nfs/dbraw/zinc/59/95/22/560599522.db2.gz RBTROSDHSMXYNG-WMZOPIPTSA-N 1 0 416.595 3.079 40 0 HGABRO C[NH+](C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1 ZINC000004231303 560603083 /nfs/dbraw/zinc/60/30/83/560603083.db2.gz SJRADJZJNBROCF-UHFFFAOYSA-N 1 0 422.485 3.243 40 0 HGABRO Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409051841 560670167 /nfs/dbraw/zinc/67/01/67/560670167.db2.gz BUUYJMCNORFJNI-WSBKAMHLSA-O 1 0 416.476 3.459 40 0 HGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000409057900 560670714 /nfs/dbraw/zinc/67/07/14/560670714.db2.gz MTRKSCGQRZOFPK-WFZBXURCSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409058591 560670799 /nfs/dbraw/zinc/67/07/99/560670799.db2.gz TTZURWNJSDDGEE-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)c1 ZINC000409060731 560671168 /nfs/dbraw/zinc/67/11/68/560671168.db2.gz UNYMVJHZNZAQAA-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409061244 560672817 /nfs/dbraw/zinc/67/28/17/560672817.db2.gz YKQRUXYMWNLIAA-MKTJXXHISA-O 1 0 404.877 3.356 40 0 HGABRO O=C(CN1Cc2ccccc2C1=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409415252 560723597 /nfs/dbraw/zinc/72/35/97/560723597.db2.gz YANKGUFDQNGLKJ-DAVFGYKESA-N 1 0 405.542 3.064 40 0 HGABRO c1coc(Cn2nnnc2CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019369534 560872835 /nfs/dbraw/zinc/87/28/35/560872835.db2.gz IKVRHYUFKFYQEF-UHFFFAOYSA-N 1 0 414.513 3.222 40 0 HGABRO Cc1ccccc1C[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382217 568489444 /nfs/dbraw/zinc/48/94/44/568489444.db2.gz LFOYBSNDJNLLIZ-MOUTVQLLSA-N 1 0 403.526 3.142 40 0 biogenic,in-vitro HGABRO COc1cccc(-c2noc(CNC(=O)[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000222599791 568519965 /nfs/dbraw/zinc/51/99/65/568519965.db2.gz SOGPNFKEDWBNRL-GOSISDBHSA-N 1 0 424.476 3.413 40 0 HGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(Br)ccc1OC ZINC000222791190 568526743 /nfs/dbraw/zinc/52/67/43/568526743.db2.gz MJRGDLSLAPWOPY-HNNXBMFYSA-N 1 0 419.385 3.391 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000223218817 568541403 /nfs/dbraw/zinc/54/14/03/568541403.db2.gz SXXBELILSLTARD-FGZHOGPDSA-N 1 0 420.586 3.251 40 0 HGABRO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)n1-c1cccnc1 ZINC000223261198 568543164 /nfs/dbraw/zinc/54/31/64/568543164.db2.gz HXLZQIONRSLRHY-NHCUHLMSSA-N 1 0 406.559 3.110 40 0 HGABRO COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000223839558 568560434 /nfs/dbraw/zinc/56/04/34/568560434.db2.gz VJKQKPWTRXXFSL-UHFFFAOYSA-N 1 0 418.515 3.055 40 0 HGABRO Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000224123208 568570703 /nfs/dbraw/zinc/57/07/03/568570703.db2.gz YAQNLUZJJHNDLH-UHFFFAOYSA-N 1 0 415.559 3.036 40 0 HGABRO Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224297664 568576906 /nfs/dbraw/zinc/57/69/06/568576906.db2.gz GERSMBLJEGDIJK-UHFFFAOYSA-N 1 0 415.559 3.036 40 0 HGABRO Cc1ccc(C(=O)NCCC[NH+](C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224318949 568577692 /nfs/dbraw/zinc/57/76/92/568577692.db2.gz NVERLZBHOGYNBJ-UHFFFAOYSA-N 1 0 423.966 3.155 40 0 HGABRO COC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224698054 568592605 /nfs/dbraw/zinc/59/26/05/568592605.db2.gz PUVVKHZLDKEZGL-UHFFFAOYSA-N 1 0 416.543 3.246 40 0 HGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000242473240 568599217 /nfs/dbraw/zinc/59/92/17/568599217.db2.gz FDKSSCHDQAEKOZ-KNKQGSTJSA-N 1 0 416.543 3.157 40 0 HGABRO COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@H]([NH3+])C(C)C)CC[C@H]3O[C@@H]21 ZINC000257233327 568785756 /nfs/dbraw/zinc/78/57/56/568785756.db2.gz GOTSJEWLVKZHOB-UZKILMIQSA-N 1 0 402.535 3.144 40 0 HGABRO CC(=O)N1CC[C@@H]2[C@H](C1)CCCC[N@@H+]2Cc1cc(C(C)(C)C)ccc1OCC(N)=O ZINC000257240315 568787735 /nfs/dbraw/zinc/78/77/35/568787735.db2.gz HSZJLJXKCQELGR-GHTZIAJQSA-N 1 0 415.578 3.071 40 0 HGABRO CCn1c2ccc(NC(=O)C[N@H+]3C[C@@H]4[C@@H](Cc5ccccn5)CC[C@@H]4C3)cc2oc1=O ZINC000257279078 568798136 /nfs/dbraw/zinc/79/81/36/568798136.db2.gz OEYKSXYBKIEWMF-MBOZVWFJSA-N 1 0 420.513 3.149 40 0 HGABRO Cc1nonc1COc1ccccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)C2 ZINC000257296192 568803297 /nfs/dbraw/zinc/80/32/97/568803297.db2.gz RBQGQQUCMZEEQW-ZERUQHPESA-N 1 0 410.518 3.434 40 0 HGABRO Cc1nc2c(C)cccn2c1CN1CCO[C@@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257299018 568804150 /nfs/dbraw/zinc/80/41/50/568804150.db2.gz ROJVTCBARJIGFA-JOCHJYFZSA-N 1 0 402.502 3.320 40 0 HGABRO CC1=CC(C)(C)N(C(=O)C[N@@H+]2CCC[C@](C(N)=O)(c3ccccn3)C2)c2ccccc21 ZINC000257303162 568805523 /nfs/dbraw/zinc/80/55/23/568805523.db2.gz SGAGPXJHAIVEIP-RUZDIDTESA-N 1 0 418.541 3.129 40 0 HGABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218217405 568836370 /nfs/dbraw/zinc/83/63/70/568836370.db2.gz OTWBSRSMBMOJHH-QYZOEREBSA-N 1 0 424.360 3.370 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218639243 568885667 /nfs/dbraw/zinc/88/56/67/568885667.db2.gz DJLLEEVARYHFGM-SVFBPWRDSA-N 1 0 421.946 3.350 40 0 HGABRO CC(C)NC(=O)NC[C@@H]1N(C(=O)CCc2ccccc2)CCCC12CC[NH+](C)CC2 ZINC000306124549 568887528 /nfs/dbraw/zinc/88/75/28/568887528.db2.gz BTMCKRXJDHJJMT-NRFANRHFSA-N 1 0 414.594 3.030 40 0 HGABRO COc1cccc(C[N@@H+]2C[C@H]3CCn4c(C(=O)Nc5ccccc5)nnc4[C@@H]3C2)c1 ZINC000306125157 568887998 /nfs/dbraw/zinc/88/79/98/568887998.db2.gz CICUWIYXMVFZOV-YLJYHZDGSA-N 1 0 403.486 3.158 40 0 HGABRO O=C(NCC1CCCCC1)C1CCN(C2=NO[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000306125829 568888510 /nfs/dbraw/zinc/88/85/10/568888510.db2.gz DDDYMHSPRXAZRJ-PKTZIBPZSA-N 1 0 424.589 3.239 40 0 HGABRO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)cc1 ZINC000306125858 568888633 /nfs/dbraw/zinc/88/86/33/568888633.db2.gz DDYOKNMRWGNHDQ-LEWJYISDSA-N 1 0 408.527 3.343 40 0 HGABRO C[N@@H+]1CC[C@@H](COCc2ccncc2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306126573 568889324 /nfs/dbraw/zinc/88/93/24/568889324.db2.gz DZEXMLFFIWTKHI-LJQANCHMSA-N 1 0 404.514 3.316 40 0 HGABRO C[N@@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306126817 568889586 /nfs/dbraw/zinc/88/95/86/568889586.db2.gz FGBLYYGGKNDFMA-GOSISDBHSA-N 1 0 404.514 3.316 40 0 HGABRO COc1ccc(C(C)C)cc1CN1CCO[C@@]2(CCCC[C@H]2[NH2+]CC(=O)N(C)C)C1 ZINC000306127001 568889654 /nfs/dbraw/zinc/88/96/54/568889654.db2.gz FLGPNJHDHGKYNY-VWNXMTODSA-N 1 0 417.594 3.010 40 0 HGABRO CC(C)NC(=O)N1C[C@H]2CC[C@@H](CNC(=O)Cc3ccccc3)[N@@H+]2Cc2ccccc21 ZINC000306130024 568892387 /nfs/dbraw/zinc/89/23/87/568892387.db2.gz IUGRHOYVPBIZPZ-FCHUYYIVSA-N 1 0 420.557 3.317 40 0 HGABRO Cc1cnc(N2CC[C@@H](NC(=O)C(C)C)[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)nc1 ZINC000306136049 568897908 /nfs/dbraw/zinc/89/79/08/568897908.db2.gz PHNIALQQRMGAAE-DENIHFKCSA-N 1 0 413.591 3.090 40 0 HGABRO c1ccc(CN2C[C@]3(CC[N@H+](Cc4ccc5c(c4)OCO5)C3)c3ncccc32)nc1 ZINC000306137966 568899833 /nfs/dbraw/zinc/89/98/33/568899833.db2.gz RLFAQFUXVPTBLP-XMMPIXPASA-N 1 0 400.482 3.369 40 0 HGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccoc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306141156 568902822 /nfs/dbraw/zinc/90/28/22/568902822.db2.gz VMRUAEYDKAPYQI-ZJSXRUAMSA-N 1 0 419.529 3.470 40 0 HGABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306141266 568903115 /nfs/dbraw/zinc/90/31/15/568903115.db2.gz VQFYQXBJXIYXFF-JKSUJKDBSA-N 1 0 409.440 3.113 40 0 HGABRO O=c1[nH]c2cc3c(cc2cc1C[NH2+]C1CCN(Cc2ccccc2)CC1)OCCO3 ZINC000004132802 568915553 /nfs/dbraw/zinc/91/55/53/568915553.db2.gz CBJBQUFBOTXHPI-UHFFFAOYSA-N 1 0 405.498 3.054 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2c(Cl)cccc2Cl)cc(-c2cccnc2)n1 ZINC000328970383 568970428 /nfs/dbraw/zinc/97/04/28/568970428.db2.gz DKNAGJDAPRQOCK-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000328979205 568971067 /nfs/dbraw/zinc/97/10/67/568971067.db2.gz GETNLOPZCNGDFU-UHFFFAOYSA-N 1 0 420.414 3.257 40 0 HGABRO CCc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328982844 568971160 /nfs/dbraw/zinc/97/11/60/568971160.db2.gz HCZCHZWJKNIHPW-GOSISDBHSA-N 1 0 400.523 3.048 40 0 HGABRO Cc1ccc(C(F)(F)F)cc1Nc1cc(C(F)(F)F)nc(NCC[NH+](C)C)n1 ZINC000329032215 568973652 /nfs/dbraw/zinc/97/36/52/568973652.db2.gz QMPVDZXSTAPGJG-UHFFFAOYSA-N 1 0 407.362 3.384 40 0 HGABRO CN(C)c1cn[nH+]c(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000224309979 569057016 /nfs/dbraw/zinc/05/70/16/569057016.db2.gz RIPOBVLBQPSFRM-UHFFFAOYSA-N 1 0 401.514 3.023 40 0 HGABRO CCCc1ncc(C[N@@H+]2CCC[C@H]([C@H]3CN(C(C)=O)Cc4ccccc4O3)C2)cn1 ZINC000247962717 569315920 /nfs/dbraw/zinc/31/59/20/569315920.db2.gz WARHGDVHAMOJPZ-NZQKXSOJSA-N 1 0 408.546 3.451 40 0 HGABRO CN(c1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1)S(C)(=O)=O ZINC000009063600 569342410 /nfs/dbraw/zinc/34/24/10/569342410.db2.gz AORHVMFEXWJJFL-UHFFFAOYSA-N 1 0 419.522 3.072 40 0 HGABRO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+](C)C)ccc2C)c1C ZINC000010111455 569342852 /nfs/dbraw/zinc/34/28/52/569342852.db2.gz VEXHLEADNOSUAT-UHFFFAOYSA-N 1 0 403.548 3.094 40 0 HGABRO CC(=O)NCCn1nc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)c2cccnc21 ZINC000012219505 569344720 /nfs/dbraw/zinc/34/47/20/569344720.db2.gz NJQPHGODBRTJIO-KRWDZBQOSA-N 1 0 413.472 3.225 40 0 HGABRO CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000033616569 569350724 /nfs/dbraw/zinc/35/07/24/569350724.db2.gz GTUMFQHDTUERHE-UHFFFAOYSA-N 1 0 412.559 3.354 40 0 HGABRO CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000033679832 569351022 /nfs/dbraw/zinc/35/10/22/569351022.db2.gz YIZKNJYVKBUAAE-UHFFFAOYSA-N 1 0 412.559 3.352 40 0 HGABRO CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(NCCCO)[nH+]1 ZINC000328956361 571306458 /nfs/dbraw/zinc/30/64/58/571306458.db2.gz AFGILZXQPGWCKF-UHFFFAOYSA-N 1 0 405.340 3.720 40 0 HGABRO CC1=C[C@@H](C[NH+]2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883555 291233565 /nfs/dbraw/zinc/23/35/65/291233565.db2.gz RLSJQMOFVBIEQB-ACRUOGEOSA-N 1 0 418.626 3.374 40 0 biogenic,in-vitro HGABRO COc1ccc(CN2C[C@H]3C[N@H+](Cc4cn(C)c5ccccc45)CCN3C2=O)cc1 ZINC000096269127 291240196 /nfs/dbraw/zinc/24/01/96/291240196.db2.gz JZNBPFICNZLRDU-HXUWFJFHSA-N 1 0 404.514 3.309 40 0 biogenic,in-vitro HGABRO Cn1nc(-c2ccco2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)COc1ccccc1 ZINC000008635398 291242691 /nfs/dbraw/zinc/24/26/91/291242691.db2.gz OXIDHOULQJVSBR-NSHGMRRFSA-N 1 0 420.513 3.053 40 0 biogenic,in-vitro HGABRO O[C@H]1CC[C@@H](Cc2cc(COc3ccccc3)on2)O[C@@H]1C[NH2+]Cc1ccccc1 ZINC000077262988 291246224 /nfs/dbraw/zinc/24/62/24/291246224.db2.gz LJZPQJUMKHSQEA-OEMFJLHTSA-N 1 0 408.498 3.494 40 0 biogenic,in-vitro HGABRO CCOc1ccc(N2C(=O)c3cccc4c(N5CC[NH2+]CC5)ccc(c43)C2=O)cc1 ZINC000003108992 132262869 /nfs/dbraw/zinc/26/28/69/132262869.db2.gz XQUKYPADVKXDGN-UHFFFAOYSA-N 1 0 401.466 3.449 40 0 HGABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000012291286 132358008 /nfs/dbraw/zinc/35/80/08/132358008.db2.gz LFWQSCDXWXCRGA-ILBGXUMGSA-N 1 0 424.541 3.011 40 0 HGABRO CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000019590933 132468247 /nfs/dbraw/zinc/46/82/47/132468247.db2.gz JVMXIDZENVPFCE-NRFANRHFSA-N 1 0 407.518 3.165 40 0 HGABRO Cc1c(C[NH+]2CCC(c3nc(C)c4c(n3)N(C3CCCC3)C(=O)CC4)CC2)cnn1C ZINC000019739489 132469630 /nfs/dbraw/zinc/46/96/30/132469630.db2.gz SQTKGCVMKYATDP-UHFFFAOYSA-N 1 0 422.577 3.428 40 0 HGABRO COc1ccc(Cl)cc1Nc1cc(C(F)(F)F)nc(NCCC[NH+](C)C)n1 ZINC000329055449 524219167 /nfs/dbraw/zinc/21/91/67/524219167.db2.gz VOJBHTOLPIVMHD-UHFFFAOYSA-N 1 0 403.836 3.108 40 0 HGABRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[NH+](C)C)c(Cl)c2)cc1 ZINC000044900173 525597310 /nfs/dbraw/zinc/59/73/10/525597310.db2.gz XXIJXXFNGQJRQX-UHFFFAOYSA-N 1 0 409.939 3.131 40 0 HGABRO O=C1N(CC[NH+]2CCC3(CC2)OCCO3)CCN1c1cc(Cl)cc(Cl)c1 ZINC000001872322 557293559 /nfs/dbraw/zinc/29/35/59/557293559.db2.gz MMTXDKNRPSSVDS-UHFFFAOYSA-N 1 0 400.306 3.074 40 0 HGABRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000004231337 557530648 /nfs/dbraw/zinc/53/06/48/557530648.db2.gz KNWSWENARCJNOF-UHFFFAOYSA-N 1 0 408.502 3.441 40 0 HGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccccc2I)C1 ZINC000010542910 558258927 /nfs/dbraw/zinc/25/89/27/558258927.db2.gz MQOZGZAUGIFGSV-ZIAGYGMSSA-N 1 0 400.304 3.389 40 0 HGABRO O=C(Cc1ccccc1)N1CCC(CC(=O)N2CCC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000019748220 558267492 /nfs/dbraw/zinc/26/74/92/558267492.db2.gz ORYRLVLRUPOCHP-QHCPKHFHSA-N 1 0 411.590 3.192 40 0 HGABRO C/C(=C\c1ccccc1)C[NH+]1CCC(c2ccc(C(=O)N3CCOCC3)c(N)n2)CC1 ZINC000019765926 558278358 /nfs/dbraw/zinc/27/83/58/558278358.db2.gz YORPFGPSLSBVDB-HTXNQAPBSA-N 1 0 420.557 3.419 40 0 HGABRO CCOc1cc2c(cc1C[NH+]1CCC(c3cc(N)n4nc(C)cc4n3)CC1)OCO2 ZINC000012121586 558330784 /nfs/dbraw/zinc/33/07/84/558330784.db2.gz DRZQYASWXYFGQF-UHFFFAOYSA-N 1 0 409.490 3.127 40 0 HGABRO Cc1cccn2c(NC(C)(C)C)c(C3CCN(C(=O)[C@H]4CC(=O)N(C)C4)CC3)[nH+]c12 ZINC000012128013 558331565 /nfs/dbraw/zinc/33/15/65/558331565.db2.gz SDIRGSWMFPOIFU-KRWDZBQOSA-N 1 0 411.550 3.037 40 0 HGABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@H+](Cc3ncccc3C)C1)O2 ZINC000012135365 558333811 /nfs/dbraw/zinc/33/38/11/558333811.db2.gz MPNYCVGVKOFFCV-CYFREDJKSA-N 1 0 409.530 3.420 40 0 HGABRO CC(=O)N1c2ccc([C@@H](O)C[NH+]3CCC(O)(c4ccccc4F)CC3)cc2C[C@H]1C ZINC000012146827 558338063 /nfs/dbraw/zinc/33/80/63/558338063.db2.gz ZGOICTZVXJJBKG-MWTRTKDXSA-N 1 0 412.505 3.140 40 0 HGABRO CC(=O)N1c2ccc([C@@H](O)C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@H]1C ZINC000012146831 558338122 /nfs/dbraw/zinc/33/81/22/558338122.db2.gz VLOYFEDSIKUYRS-MWTRTKDXSA-N 1 0 412.505 3.140 40 0 HGABRO O=C1CCc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCCC3)ccc2N1 ZINC000012362517 558387468 /nfs/dbraw/zinc/38/74/68/558387468.db2.gz MWGYZCCKEXLLFT-UHFFFAOYSA-N 1 0 413.543 3.036 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(CC)cc1 ZINC000020636815 558396144 /nfs/dbraw/zinc/39/61/44/558396144.db2.gz DZNASELIPNGVDN-RTWAWAEBSA-N 1 0 405.498 3.014 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(SC)cc1 ZINC000020636834 558396229 /nfs/dbraw/zinc/39/62/29/558396229.db2.gz XFHNJKGNKCLCNB-VQTJNVASSA-N 1 0 423.538 3.173 40 0 HGABRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c(OC)c1OC ZINC000039766419 558685788 /nfs/dbraw/zinc/68/57/88/558685788.db2.gz ODLQCLWSXIRQLL-UHFFFAOYSA-N 1 0 416.493 3.380 40 0 HGABRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c(OC)c1OC ZINC000039772815 558686350 /nfs/dbraw/zinc/68/63/50/558686350.db2.gz UQNVVBISBMHHOI-UHFFFAOYSA-N 1 0 416.493 3.380 40 0 HGABRO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1OC ZINC000015360789 558735875 /nfs/dbraw/zinc/73/58/75/558735875.db2.gz SMLGINMZCIMZLD-UHFFFAOYSA-N 1 0 404.532 3.168 40 0 HGABRO C[C@H](C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)[NH+]1CCCC1 ZINC000019080259 558839036 /nfs/dbraw/zinc/83/90/36/558839036.db2.gz FMQQTYHXIOTQTN-QGZVFWFLSA-N 1 0 407.493 3.352 40 0 HGABRO Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)C[NH+]3CCCCC3)CC1)N2 ZINC000019128724 558845038 /nfs/dbraw/zinc/84/50/38/558845038.db2.gz KWQFDXNQAIKRBE-DLBZAZTESA-N 1 0 413.488 3.204 40 0 HGABRO Cc1cccc(OCCC[NH+]2CCN(Cc3cn(CC(N)=O)c4ccccc34)CC2)c1 ZINC000019235182 558854405 /nfs/dbraw/zinc/85/44/05/558854405.db2.gz PAFCGKYKMPQXJD-UHFFFAOYSA-N 1 0 420.557 3.022 40 0 HGABRO Cc1cccnc1CN(Cc1ccccc1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000019237764 558857015 /nfs/dbraw/zinc/85/70/15/558857015.db2.gz NNJJNHRGDFZQEF-QHCPKHFHSA-N 1 0 420.557 3.052 40 0 HGABRO O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+](C4CCCC4)C3)[nH]c(=O)c2C1 ZINC000019342755 558872240 /nfs/dbraw/zinc/87/22/40/558872240.db2.gz IOXNYFAVOAODFD-HNNXBMFYSA-N 1 0 412.559 3.152 40 0 HGABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(Cl)cc1 ZINC000019371485 558879188 /nfs/dbraw/zinc/87/91/88/558879188.db2.gz OKUPMROKRLFUII-SFHVURJKSA-N 1 0 421.010 3.457 40 0 HGABRO O=C(NC[C@@H]1CCCOC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372547 558879879 /nfs/dbraw/zinc/87/98/79/558879879.db2.gz RPXAZOUXKVXVAR-WWPVKYPJSA-N 1 0 424.516 3.299 40 0 HGABRO O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019400114 558882907 /nfs/dbraw/zinc/88/29/07/558882907.db2.gz DOXYTVWFKHFUAM-HXUWFJFHSA-N 1 0 407.518 3.245 40 0 HGABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000019404183 558884338 /nfs/dbraw/zinc/88/43/38/558884338.db2.gz JHCUHAXMIYPFTE-NRFANRHFSA-N 1 0 410.566 3.402 40 0 HGABRO CC(C)[N@H+]1CCc2nc3cc(C(=O)N[C@@H](C)CCc4ccco4)ccc3c(=O)n2CC1 ZINC000019448611 558887436 /nfs/dbraw/zinc/88/74/36/558887436.db2.gz FAKAMZCWEIAKTG-KRWDZBQOSA-N 1 0 422.529 3.007 40 0 HGABRO C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1)c1ccccc1 ZINC000019459043 558892917 /nfs/dbraw/zinc/89/29/17/558892917.db2.gz YYJCLXCWYJGYRM-IEBWSBKVSA-N 1 0 420.557 3.190 40 0 HGABRO CC1CCC(CNC(=O)C2CCN(c3ncnc4ccccc43)CC2)([NH+](C)C)CC1 ZINC000019495939 558894729 /nfs/dbraw/zinc/89/47/29/558894729.db2.gz ZREYZZGJIPVZJA-UHFFFAOYSA-N 1 0 409.578 3.473 40 0 HGABRO CCC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000019499338 558897480 /nfs/dbraw/zinc/89/74/80/558897480.db2.gz JXOWJKPNXFLDAC-LEWJYISDSA-N 1 0 410.514 3.419 40 0 HGABRO CCC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000019499336 558897564 /nfs/dbraw/zinc/89/75/64/558897564.db2.gz JXOWJKPNXFLDAC-NHCUHLMSSA-N 1 0 410.514 3.419 40 0 HGABRO CC[C@@H](C)C(=O)N1CCc2cc([C@@H](O)C[N@@H+]3CCCN(c4ccccn4)CC3)ccc21 ZINC000019499894 558898043 /nfs/dbraw/zinc/89/80/43/558898043.db2.gz ZJHLLYIYFSJPRX-XXBNENTESA-N 1 0 422.573 3.263 40 0 HGABRO CCOc1ccccc1C[NH+]1CCC2(C[C@]3(CO2)Nc2ccccc2C(=O)N3)CC1 ZINC000019520171 558901024 /nfs/dbraw/zinc/90/10/24/558901024.db2.gz SOASZPMVXMYUAS-DEOSSOPVSA-N 1 0 407.514 3.392 40 0 HGABRO CCn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)n1 ZINC000019525153 558906537 /nfs/dbraw/zinc/90/65/37/558906537.db2.gz BDINXEKIXVJRTM-FQEVSTJZSA-N 1 0 424.549 3.067 40 0 HGABRO CCCn1nc(C)c(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C ZINC000019525844 558907310 /nfs/dbraw/zinc/90/73/10/558907310.db2.gz CEADHEHUARNUGH-IBGZPJMESA-N 1 0 412.582 3.363 40 0 HGABRO CCOc1ccc([C@H](CNC(=O)c2cc(C(F)(F)F)nn2C)[NH+]2CCCC2)cc1 ZINC000019532705 558912570 /nfs/dbraw/zinc/91/25/70/558912570.db2.gz NJBYAMPCROBVLO-KRWDZBQOSA-N 1 0 410.440 3.405 40 0 HGABRO COc1c(C[NH+]2CCC(c3cc(N(C)C)nc(-c4cccnc4)n3)CC2)c(C)nn1C ZINC000019577940 558933787 /nfs/dbraw/zinc/93/37/87/558933787.db2.gz DKQZWZZRPJYPQB-UHFFFAOYSA-N 1 0 421.549 3.035 40 0 HGABRO C[NH+](C)CCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 ZINC000019582967 558937540 /nfs/dbraw/zinc/93/75/40/558937540.db2.gz NHJJYFVMUUVESD-UHFFFAOYSA-N 1 0 406.509 3.210 40 0 HGABRO COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019593232 558944283 /nfs/dbraw/zinc/94/42/83/558944283.db2.gz XPHCJWWZTDRUJM-VGOFRKELSA-N 1 0 403.473 3.466 40 0 HGABRO CC1CC[NH+](CCOc2ccccc2NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000019654899 558948251 /nfs/dbraw/zinc/94/82/51/558948251.db2.gz AELWKMPGHSUQNU-GOSISDBHSA-N 1 0 401.551 3.383 40 0 HGABRO C[N@@H+]1CCCN(C(=O)c2cccc(-c3ccc(C[C@H]4CCCNC4=O)cc3)c2)CC1 ZINC000072356305 558953039 /nfs/dbraw/zinc/95/30/39/558953039.db2.gz XGHHOZWNEQLDDY-JOCHJYFZSA-N 1 0 405.542 3.200 40 0 HGABRO O=c1[nH]c2cc(S(=O)(=O)NC[C@H](c3ccccc3)[NH+]3CCCCC3)ccc2o1 ZINC000019662923 558953822 /nfs/dbraw/zinc/95/38/22/558953822.db2.gz XUOZFUUZYOQFAP-GOSISDBHSA-N 1 0 401.488 3.039 40 0 HGABRO COc1cccc([C@@H](CNC(=O)c2cn(C)c(=O)c3ccccc23)[NH+]2CCCC2)c1 ZINC000019663827 558954637 /nfs/dbraw/zinc/95/46/37/558954637.db2.gz WQLAYZHKYSFMJM-JOCHJYFZSA-N 1 0 405.498 3.114 40 0 HGABRO CC(=O)N1CCc2nc(C3CC[NH+](C)CC3)nc(N(C)CCCc3ccccc3)c2C1 ZINC000072372293 558959736 /nfs/dbraw/zinc/95/97/36/558959736.db2.gz YWNSOVDSDHSHAH-UHFFFAOYSA-N 1 0 421.589 3.259 40 0 HGABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000257205729 558989036 /nfs/dbraw/zinc/98/90/36/558989036.db2.gz BAJDLLXLZXJYKP-DENIHFKCSA-N 1 0 422.577 3.426 40 0 HGABRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)c(C)c1 ZINC000257315015 559011767 /nfs/dbraw/zinc/01/17/67/559011767.db2.gz UZNKRNMOOGIIAT-NRFANRHFSA-N 1 0 409.530 3.488 40 0 HGABRO COCC[N@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1cc(C)ccc1O)CC2)C(C)C ZINC000585103759 559025780 /nfs/dbraw/zinc/02/57/80/559025780.db2.gz IXODWEODOPNORX-LJQANCHMSA-N 1 0 404.551 3.069 40 0 HGABRO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[N@H+](C)[C@H]3CC[C@H](O)CC3)C2)CC1 ZINC000585104813 559027344 /nfs/dbraw/zinc/02/73/44/559027344.db2.gz TUEMJAXTPIZGDF-FKBYEOEOSA-N 1 0 414.590 3.496 40 0 HGABRO C[C@H](C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@@H]21)c1ccccc1 ZINC000585108035 559029884 /nfs/dbraw/zinc/02/98/84/559029884.db2.gz XKSOIVWCAUSGSI-CEQIKUNHSA-N 1 0 406.498 3.463 40 0 HGABRO Cn1cccc1C[N@@H+]1CCOCC2(CCN(C(=O)Nc3ccccc3F)CC2)C1 ZINC000096078180 559094750 /nfs/dbraw/zinc/09/47/50/559094750.db2.gz UMJUXGBYCPDYDG-UHFFFAOYSA-N 1 0 400.498 3.311 40 0 HGABRO C[N@@H+]1CCCN(C(=O)c2c3ccccn3c3ncnc(NCc4ccccc4)c32)CC1 ZINC000096087896 559095080 /nfs/dbraw/zinc/09/50/80/559095080.db2.gz SHGUNGAYACIBTF-UHFFFAOYSA-N 1 0 414.513 3.272 40 0 HGABRO CN(C)C(=O)n1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc2c1c1ccccc1n2CC1CC1 ZINC000096146526 559097896 /nfs/dbraw/zinc/09/78/96/559097896.db2.gz JGLQEDCWUDSRAS-QGZVFWFLSA-N 1 0 421.545 3.312 40 0 HGABRO Cn1cc(-c2cnc(-c3cccc(F)c3)nc2)cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000096147652 559098676 /nfs/dbraw/zinc/09/86/76/559098676.db2.gz STJLJHSKRURYGO-UHFFFAOYSA-N 1 0 407.493 3.454 40 0 HGABRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000096221009 559101981 /nfs/dbraw/zinc/10/19/81/559101981.db2.gz BXNCVVLFISVFAA-FQEVSTJZSA-N 1 0 418.534 3.270 40 0 HGABRO CCC(CC)C[NH+]1CCC2(CC1)O[C@H](C(=O)Nc1cccnc1C)Cn1ccnc12 ZINC000096243898 559105066 /nfs/dbraw/zinc/10/50/66/559105066.db2.gz UPHWPBGCJOSBOL-FQEVSTJZSA-N 1 0 411.550 3.351 40 0 HGABRO O=C(CCc1cccnc1)N1C[C@H]2C[NH+](C3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000096245528 559105204 /nfs/dbraw/zinc/10/52/04/559105204.db2.gz HLAUECMPDRJKBI-DNQXCXABSA-N 1 0 418.585 3.069 40 0 HGABRO O=C(c1nc2c(s1)CCCN2Cc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000096264619 559107559 /nfs/dbraw/zinc/10/75/59/559107559.db2.gz DCUTZWBMTYCQCY-UHFFFAOYSA-N 1 0 419.554 3.453 40 0 HGABRO CC(=O)N[C@]12C[N@H+](CCc3ccc(F)cc3)[C@H](c3ccccc3)[C@H]1CN(C(C)=O)CC2 ZINC000585261347 559108812 /nfs/dbraw/zinc/10/88/12/559108812.db2.gz JFYYHLWNXIQHOZ-UBFVSLLYSA-N 1 0 423.532 3.168 40 0 HGABRO [NH3+]C1(C(=O)N2CCC(c3cccc(Nc4ncc(Br)s4)n3)CC2)CC1 ZINC000585262909 559111599 /nfs/dbraw/zinc/11/15/99/559111599.db2.gz DFYVBOUAALNTGX-UHFFFAOYSA-N 1 0 422.352 3.242 40 0 HGABRO Cn1ccnc1COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585271074 559116460 /nfs/dbraw/zinc/11/64/60/559116460.db2.gz QMYIWFHHKVLDBQ-XMMPIXPASA-N 1 0 407.514 3.405 40 0 HGABRO C[N@@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257244360 559284291 /nfs/dbraw/zinc/28/42/91/559284291.db2.gz IKYWNUVXKMUZPM-OAQYLSRUSA-N 1 0 418.578 3.220 40 0 HGABRO COc1ccc(NC(=O)C[N@@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cc1 ZINC000257255553 559284725 /nfs/dbraw/zinc/28/47/25/559284725.db2.gz KHXRIWPDIZLRSJ-KJWPAHLWSA-N 1 0 421.541 3.378 40 0 HGABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](CC(=O)NCCc3ccccc3)CC2)c(C)c1 ZINC000257280982 559285327 /nfs/dbraw/zinc/28/53/27/559285327.db2.gz ONEQMSVNZQOZDZ-VWLOTQADSA-N 1 0 410.558 3.258 40 0 HGABRO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@H](O)[C@@H]21 ZINC000004028673 560597291 /nfs/dbraw/zinc/59/72/91/560597291.db2.gz SYTZVGPWDLPTPO-XMPDMAAFSA-N 1 0 413.558 3.325 40 0 HGABRO Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000004131214 560599623 /nfs/dbraw/zinc/59/96/23/560599623.db2.gz MKCWCOOYXAZLSB-UHFFFAOYSA-N 1 0 412.559 3.258 40 0 HGABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000004133448 560600494 /nfs/dbraw/zinc/60/04/94/560600494.db2.gz LOZWMTNUBAPMFC-UHFFFAOYSA-N 1 0 408.571 3.275 40 0 HGABRO CC[NH+](CC)CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=S)NCC(C)C ZINC000004133823 560600737 /nfs/dbraw/zinc/60/07/37/560600737.db2.gz QRFGYOSBDFKTJU-UHFFFAOYSA-N 1 0 418.607 3.211 40 0 HGABRO Cn1c(SCC[NH+]2CCCC2)nnc1C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000006234745 560630306 /nfs/dbraw/zinc/63/03/06/560630306.db2.gz QXALYJJNPSFARV-UHFFFAOYSA-N 1 0 414.579 3.415 40 0 HGABRO Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409051832 560670197 /nfs/dbraw/zinc/67/01/97/560670197.db2.gz BUUYJMCNORFJNI-VNGKGULCSA-O 1 0 416.476 3.459 40 0 HGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409060440 560671055 /nfs/dbraw/zinc/67/10/55/560671055.db2.gz VEUWPXRMHZBIRG-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO Cc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409054424 560671213 /nfs/dbraw/zinc/67/12/13/560671213.db2.gz JQDSPQFWAFFPEG-WAUWHALJSA-O 1 0 416.476 3.459 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409061218 560672772 /nfs/dbraw/zinc/67/27/72/560672772.db2.gz BZSUVPMUOCJDBU-LADMSCKDSA-O 1 0 404.877 3.356 40 0 HGABRO O=C(NCCCn1ccnc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000100619422 560725654 /nfs/dbraw/zinc/72/56/54/560725654.db2.gz KEOOPWCVXLHHMW-WFASDCNBSA-N 1 0 408.384 3.153 40 0 HGABRO Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000010279634 560766466 /nfs/dbraw/zinc/76/64/66/560766466.db2.gz OWSSCDGSYZERCD-UHFFFAOYSA-N 1 0 421.607 3.021 40 0 HGABRO c1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019372836 560872455 /nfs/dbraw/zinc/87/24/55/560872455.db2.gz OEFNWPHOLYOALC-QHCPKHFHSA-N 1 0 402.546 3.371 40 0 HGABRO COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020139451 560881095 /nfs/dbraw/zinc/88/10/95/560881095.db2.gz XNEKYYQVXBJZIX-NRFANRHFSA-N 1 0 412.582 3.476 40 0 HGABRO CC[NH+](CC)CCNC(=O)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000211525392 568454806 /nfs/dbraw/zinc/45/48/06/568454806.db2.gz KDQPXADVXWAOCS-CJLVFECKSA-N 1 0 404.514 3.397 40 0 HGABRO COc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccccc1 ZINC000022075127 568473906 /nfs/dbraw/zinc/47/39/06/568473906.db2.gz DXZPEPNZUFWJDX-OAHLLOKOSA-N 1 0 423.351 3.097 40 0 HGABRO CC(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382407 568489471 /nfs/dbraw/zinc/48/94/71/568489471.db2.gz RCGPYODJRPVXQZ-UAFMIMERSA-N 1 0 423.479 3.309 40 0 biogenic,in-vitro HGABRO CC(C)(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3ccc(Cl)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382311 568489548 /nfs/dbraw/zinc/48/95/48/568489548.db2.gz NYYWNTXSULYHLK-UAFMIMERSA-N 1 0 403.954 3.118 40 0 biogenic,in-vitro HGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(Br)ccc1OC ZINC000222791119 568526735 /nfs/dbraw/zinc/52/67/35/568526735.db2.gz MJRGDLSLAPWOPY-OAHLLOKOSA-N 1 0 419.385 3.391 40 0 HGABRO Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)nc1 ZINC000223215282 568541261 /nfs/dbraw/zinc/54/12/61/568541261.db2.gz OLTHXGWYXSOHGT-FCHUYYIVSA-N 1 0 420.586 3.500 40 0 HGABRO COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223279630 568543928 /nfs/dbraw/zinc/54/39/28/568543928.db2.gz PXHMPDDDKLBOJN-VXKWHMMOSA-N 1 0 421.570 3.415 40 0 HGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000224381741 568579694 /nfs/dbraw/zinc/57/96/94/568579694.db2.gz RPIAWLPQGYHSMK-LJQANCHMSA-N 1 0 407.580 3.001 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242473214 568598934 /nfs/dbraw/zinc/59/89/34/568598934.db2.gz FCGSADDHOIRCQG-TUNNFDKTSA-N 1 0 401.528 3.005 40 0 HGABRO COCC[N@H+](C)C[C@@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc(-n3cccc3)cc1)C2 ZINC000247995131 568746885 /nfs/dbraw/zinc/74/68/85/568746885.db2.gz MMBOYRGCCJLLQY-YKSBVNFPSA-N 1 0 411.546 3.067 40 0 HGABRO Cc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(S(=O)(=O)c4cn(C)cn4)C3)c2)cc1 ZINC000257217587 568781268 /nfs/dbraw/zinc/78/12/68/568781268.db2.gz CZPBOBLGWGEHIW-KRWDZBQOSA-N 1 0 411.531 3.354 40 0 HGABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000257218677 568781580 /nfs/dbraw/zinc/78/15/80/568781580.db2.gz DEBZKYDHWBGJNM-HSZRJFAPSA-N 1 0 406.542 3.086 40 0 HGABRO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000257218678 568781655 /nfs/dbraw/zinc/78/16/55/568781655.db2.gz DEBZKYDHWBGJNM-QHCPKHFHSA-N 1 0 406.542 3.086 40 0 HGABRO CCc1ncc(C[N@@H+]2CCC[C@@H](Cc3cc(Nc4cc(C)[nH]n4)nc(C)n3)C2)cn1 ZINC000257233426 568785724 /nfs/dbraw/zinc/78/57/24/568785724.db2.gz GPFFRJXSLFSBDQ-KRWDZBQOSA-N 1 0 406.538 3.367 40 0 HGABRO Cc1nccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCc2nc3cc(Cl)ccc3[nH]2)[C@H]1O ZINC000257237673 568786894 /nfs/dbraw/zinc/78/68/94/568786894.db2.gz HHOHOSJCJHYPPA-DBXWQHBBSA-N 1 0 415.925 3.267 40 0 HGABRO C[NH+](C)CCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000257273542 568796568 /nfs/dbraw/zinc/79/65/68/568796568.db2.gz NHBDFCKGXIWMRE-MRXNPFEDSA-N 1 0 414.575 3.094 40 0 HGABRO Cc1noc(C)c1S(=O)(=O)N1CC[C@H](c2cc(Nc3nccs3)cc(C)[nH+]2)C1 ZINC000257286518 568800372 /nfs/dbraw/zinc/80/03/72/568800372.db2.gz PLWWGHOGLBKBTJ-AWEZNQCLSA-N 1 0 419.532 3.373 40 0 HGABRO Cc1nonc1COc1ccccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@@H+]2C ZINC000257299428 568804259 /nfs/dbraw/zinc/80/42/59/568804259.db2.gz RQAOXJWCPOXVBS-GCUYEVCFSA-N 1 0 410.518 3.434 40 0 HGABRO CC(=O)N1CCCC[C@@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@H]21 ZINC000257300177 568804465 /nfs/dbraw/zinc/80/44/65/568804465.db2.gz RTFIFMMQVRXMQT-WIYYLYMNSA-N 1 0 415.578 3.071 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218587679 568882617 /nfs/dbraw/zinc/88/26/17/568882617.db2.gz OMBKGVQRHQKMII-CMKODMSKSA-N 1 0 407.919 3.096 40 0 HGABRO COc1cccc(C[N@@H+]2C[C@@H]3CCn4c(C(=O)Nc5ccccc5)nnc4[C@@H]3C2)c1 ZINC000306125154 568887868 /nfs/dbraw/zinc/88/78/68/568887868.db2.gz CICUWIYXMVFZOV-FXAWDEMLSA-N 1 0 403.486 3.158 40 0 HGABRO COc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 ZINC000306125861 568888528 /nfs/dbraw/zinc/88/85/28/568888528.db2.gz DDYOKNMRWGNHDQ-SFTDATJTSA-N 1 0 408.527 3.343 40 0 HGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccccc3)C[C@@]23OCCN(CC2CCC2)C3=O)c1 ZINC000306126030 568888593 /nfs/dbraw/zinc/88/85/93/568888593.db2.gz DKBHTDLNPCYXGE-RCZVLFRGSA-N 1 0 422.573 3.461 40 0 HGABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4sccc4C)C[C@@H]2C3)cc1 ZINC000306129321 568891775 /nfs/dbraw/zinc/89/17/75/568891775.db2.gz IAPYCKYCWPMVEG-HOTGVXAUSA-N 1 0 423.542 3.213 40 0 HGABRO COCCN1CC[C@@]2(C[N@H+](Cc3sccc3C)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306136872 568898762 /nfs/dbraw/zinc/89/87/62/568898762.db2.gz QFJZHKJMBUTWRL-AVRDEDQJSA-N 1 0 416.591 3.298 40 0 HGABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2c(C(=O)NC4CCCC4)[nH]nc23)s1 ZINC000306140069 568901813 /nfs/dbraw/zinc/90/18/13/568901813.db2.gz UISBUSUOWGIENG-NRFANRHFSA-N 1 0 400.548 3.126 40 0 HGABRO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306141264 568903108 /nfs/dbraw/zinc/90/31/08/568903108.db2.gz VQFYQXBJXIYXFF-HOTGVXAUSA-N 1 0 409.440 3.113 40 0 HGABRO O=C1N(Cc2ccccc2)CCO[C@]12C[N@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306142364 568904065 /nfs/dbraw/zinc/90/40/65/568904065.db2.gz WXCGURHISQFEKK-UPVQGACJSA-N 1 0 403.482 3.072 40 0 HGABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306143050 568904742 /nfs/dbraw/zinc/90/47/42/568904742.db2.gz XRTUHKRTKKHDMO-IRXDYDNUSA-N 1 0 407.905 3.488 40 0 HGABRO Cc1ccsc1C[NH+]1CCC2(CC1)CN(C)C[C@H](C(=O)NCc1cccs1)O2 ZINC000306144667 568906163 /nfs/dbraw/zinc/90/61/63/568906163.db2.gz ZLQCLSNNLGUNKE-GOSISDBHSA-N 1 0 419.616 3.100 40 0 HGABRO CC(C)(C)OC(=O)N1CC[NH2+][C@@]2(C1)CCCN(C(=O)OCc1ccccc1)CC2 ZINC000306145614 568906584 /nfs/dbraw/zinc/90/65/84/568906584.db2.gz KMSUUURLBMUGNO-QFIPXVFZSA-N 1 0 403.523 3.388 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242592200 568967829 /nfs/dbraw/zinc/96/78/29/568967829.db2.gz OMBKGVQRHQKMII-NLWGTHIKSA-N 1 0 407.919 3.096 40 0 HGABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000242750275 568970688 /nfs/dbraw/zinc/97/06/88/568970688.db2.gz ZJNJMNNUEPNQEG-VAMGGRTRSA-N 1 0 409.935 3.270 40 0 HGABRO CC(C)c1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(NC2CCCC2)[nH+]1 ZINC000329009046 568972386 /nfs/dbraw/zinc/97/23/86/568972386.db2.gz LVDBWHIQERRMQF-UHFFFAOYSA-N 1 0 415.563 3.165 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000329020421 568973009 /nfs/dbraw/zinc/97/30/09/568973009.db2.gz OCHWNSGUMKXALK-UHFFFAOYSA-N 1 0 400.889 3.282 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccncc2)n1 ZINC000329060743 568975103 /nfs/dbraw/zinc/97/51/03/568975103.db2.gz WNMIFAKVMQIVFS-UHFFFAOYSA-N 1 0 400.889 3.282 40 0 HGABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2N)CC1 ZINC000226263502 569278909 /nfs/dbraw/zinc/27/89/09/569278909.db2.gz NWJKZBMVEWHUBH-UHFFFAOYSA-N 1 0 403.324 3.426 40 0 HGABRO CCCc1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CN(C(C)=O)Cc4ccccc4O3)C2)cn1 ZINC000247962715 569315906 /nfs/dbraw/zinc/31/59/06/569315906.db2.gz WARHGDVHAMOJPZ-NFBKMPQASA-N 1 0 408.546 3.451 40 0 HGABRO C[NH+](C)CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000010111685 569342903 /nfs/dbraw/zinc/34/29/03/569342903.db2.gz UEQKSDKDRRRMDM-OAQYLSRUSA-N 1 0 417.962 3.406 40 0 HGABRO Cn1cc(-c2ccc([C@H]3CN(C(=O)CCC[NH+]4CCCCCC4)CCO3)nc2)cn1 ZINC000019693807 569346555 /nfs/dbraw/zinc/34/65/55/569346555.db2.gz QHFDHGROSRQGDI-JOCHJYFZSA-N 1 0 411.550 3.038 40 0 HGABRO CN(C)c1ncc(C[N@@H+]2CC[C@@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000019704613 569347669 /nfs/dbraw/zinc/34/76/69/569347669.db2.gz NOJWIJSYUAWGSY-MRXNPFEDSA-N 1 0 412.925 3.488 40 0 HGABRO O=C(C[NH+]1CCCC1)N1CC[C@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 ZINC000019704985 569347834 /nfs/dbraw/zinc/34/78/34/569347834.db2.gz ZHMPCMUBQOVVKS-KRWDZBQOSA-N 1 0 422.508 3.121 40 0 HGABRO CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@@H](C)CO)[nH+]1 ZINC000328982365 571306354 /nfs/dbraw/zinc/30/63/54/571306354.db2.gz GZHNQTBLIGAOCV-ZDUSSCGKSA-N 1 0 405.340 3.718 40 0 HGABRO CCNC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1 ZINC000015672652 291234425 /nfs/dbraw/zinc/23/44/25/291234425.db2.gz OZIXMGRYMPVNTB-TYPHKJRUSA-N 1 0 422.577 3.015 40 0 biogenic,in-vitro HGABRO COCCNC(=O)[C@@H]1Cc2cn(Cc3cccnc3)c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171587 291236842 /nfs/dbraw/zinc/23/68/42/291236842.db2.gz ADKISVLBQCRRBZ-VXKWHMMOSA-N 1 0 420.557 3.449 40 0 biogenic,in-vitro HGABRO Fc1cccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4[NH2+]Cc3ccccc3)n2)c1 ZINC000005440630 291242657 /nfs/dbraw/zinc/24/26/57/291242657.db2.gz QBIHJGZXJZZLCT-FNAHDJPLSA-N 1 0 406.461 3.019 40 0 biogenic,in-vitro HGABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1cccnc1 ZINC000015673313 291242981 /nfs/dbraw/zinc/24/29/81/291242981.db2.gz RQEAMVJNRZROQK-OALUTQOASA-N 1 0 408.477 3.350 40 0 biogenic,in-vitro HGABRO COc1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc(OC)c1OC ZINC000044917535 522428699 /nfs/dbraw/zinc/42/86/99/522428699.db2.gz AAPVBLWJLXBJGX-SFHVURJKSA-N 1 0 416.493 3.380 40 0 HGABRO COCc1nn2c(ncc3c2ccn(CC[NH+](C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397758 523246486 /nfs/dbraw/zinc/24/64/86/523246486.db2.gz IHJQHKDBJWAQAE-UHFFFAOYSA-N 1 0 411.893 3.073 40 0 HGABRO Cc1nc2n(c(=O)c1CC[NH+]1CCC(c3noc4cc(O)ccc43)CC1)CCCC2 ZINC000044699422 527183155 /nfs/dbraw/zinc/18/31/55/527183155.db2.gz KMZACMPMNDRKFH-UHFFFAOYSA-N 1 0 408.502 3.157 40 0 in-vitro HGABRO [NH3+]Cc1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2)cc1 ZINC000001620753 557276580 /nfs/dbraw/zinc/27/65/80/557276580.db2.gz ARJHFGHOLXSOOR-UHFFFAOYSA-N 1 0 420.126 3.471 40 0 HGABRO CC1CC[NH+](Cc2ccc(-c3nnn(CC(=O)Nc4ccc(F)cc4)n3)cc2)CC1 ZINC000004907613 557612091 /nfs/dbraw/zinc/61/20/91/557612091.db2.gz WWPUZRDIPSGQOS-UHFFFAOYSA-N 1 0 408.481 3.350 40 0 HGABRO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035840138 557641358 /nfs/dbraw/zinc/64/13/58/557641358.db2.gz GDODBXYULPSREU-GBPOLFSSSA-N 1 0 421.884 3.080 40 0 HGABRO COc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCCc1ccccc1 ZINC000007540519 557746118 /nfs/dbraw/zinc/74/61/18/557746118.db2.gz AKMBUEHVVNNWKU-UHFFFAOYSA-N 1 0 413.547 3.112 40 0 HGABRO COc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCc1cccc(C)c1 ZINC000007541533 557746310 /nfs/dbraw/zinc/74/63/10/557746310.db2.gz ZWSLCQSIBDLMLI-UHFFFAOYSA-N 1 0 413.547 3.378 40 0 HGABRO CC[NH+](CC)CCNC(=O)CN1N=C(C(C)(C)C)Cn2c3ccsc3cc2C1=O ZINC000012145886 558337331 /nfs/dbraw/zinc/33/73/31/558337331.db2.gz WSKYTXPGMJFKPX-UHFFFAOYSA-N 1 0 417.579 3.019 40 0 HGABRO CCC(=O)N1CCc2cc([C@@H](O)C[NH+]3CCC(O)(c4ccccc4C)CC3)ccc21 ZINC000012181128 558342675 /nfs/dbraw/zinc/34/26/75/558342675.db2.gz LCJGAECNSALFPE-QHCPKHFHSA-N 1 0 408.542 3.311 40 0 HGABRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182722 558343555 /nfs/dbraw/zinc/34/35/55/558343555.db2.gz XUWNGOZYVZDLIU-QGWWYQLQSA-N 1 0 402.539 3.365 40 0 HGABRO Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]C[C@@H]3Cc4ccccc4O3)cc12 ZINC000012186193 558345540 /nfs/dbraw/zinc/34/55/40/558345540.db2.gz KDCSJSDHTWCQRG-IBGZPJMESA-N 1 0 404.445 3.255 40 0 HGABRO CCOc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(OC)ccc2O3)cc1 ZINC000012293665 558367006 /nfs/dbraw/zinc/36/70/06/558367006.db2.gz GFTZFYRDDBMVNZ-YADHBBJMSA-N 1 0 413.514 3.478 40 0 HGABRO CCOc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)cc1 ZINC000012329554 558384302 /nfs/dbraw/zinc/38/43/02/558384302.db2.gz KZNDCZVLIGJBAR-VXKWHMMOSA-N 1 0 413.514 3.478 40 0 HGABRO O=c1c2cnc3nc(-c4ccc(Cl)cc4)nn3c2ccn1CC[NH+]1CCCCC1 ZINC000020674486 558399282 /nfs/dbraw/zinc/39/92/82/558399282.db2.gz NKFOVIVPXAMJLQ-UHFFFAOYSA-N 1 0 408.893 3.246 40 0 HGABRO CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN2CC[NH+](C3CCCC3)CC2)C1 ZINC000023089285 558533974 /nfs/dbraw/zinc/53/39/74/558533974.db2.gz ZUZHQNUAJZGWEA-LJQANCHMSA-N 1 0 409.578 3.349 40 0 HGABRO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2C)c1 ZINC000013673415 558563365 /nfs/dbraw/zinc/56/33/65/558563365.db2.gz LOFZBVVAHLYARY-UHFFFAOYSA-N 1 0 415.559 3.320 40 0 HGABRO O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013677485 558564854 /nfs/dbraw/zinc/56/48/54/558564854.db2.gz ULCHXMCRFDTCNZ-HXUWFJFHSA-N 1 0 407.514 3.444 40 0 HGABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)CC2)cc1 ZINC000039745631 558686855 /nfs/dbraw/zinc/68/68/55/558686855.db2.gz GFTLJIFVJQYGIN-UHFFFAOYSA-N 1 0 415.559 3.242 40 0 HGABRO CCc1nc2nc3ccn(CCC[NH+](C)C)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 ZINC000038828901 558816062 /nfs/dbraw/zinc/81/60/62/558816062.db2.gz GARDURNCUMJVRT-UHFFFAOYSA-N 1 0 410.909 3.274 40 0 HGABRO COc1cc(C[NH+]2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)cc(OC)c1 ZINC000019019773 558837587 /nfs/dbraw/zinc/83/75/87/558837587.db2.gz KLZLSQWOLGVUPA-UHFFFAOYSA-N 1 0 410.514 3.480 40 0 HGABRO COc1cc(C[NH+]2CCC([C@H](NC(C)=O)c3ccccn3)CC2)cc(OC)c1OC ZINC000019020449 558837807 /nfs/dbraw/zinc/83/78/07/558837807.db2.gz CSMLIAZRSCHTNI-QFIPXVFZSA-N 1 0 413.518 3.197 40 0 HGABRO CC(=O)Nc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(N4CCCCC4)n3)CC2)cc1 ZINC000019022438 558838052 /nfs/dbraw/zinc/83/80/52/558838052.db2.gz MEFWPEKESLETNL-UHFFFAOYSA-N 1 0 409.534 3.098 40 0 HGABRO Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCC[N@@H+](Cc3ccnn3C)C2)on1 ZINC000019122244 558843690 /nfs/dbraw/zinc/84/36/90/558843690.db2.gz SDZPLVWMFGACPW-QGZVFWFLSA-N 1 0 407.522 3.153 40 0 HGABRO COCCOc1ccc(C[N@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)cc1OC ZINC000019216116 558850045 /nfs/dbraw/zinc/85/00/45/558850045.db2.gz GJWTYMAJSPJFAM-JXALWOEJSA-N 1 0 412.530 3.153 40 0 HGABRO COc1ccc([C@@H]2C[N@H+](Cc3cccc(OC)c3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285509 558859931 /nfs/dbraw/zinc/85/99/31/558859931.db2.gz ZQESRBUZOHAPIG-FCHUYYIVSA-N 1 0 405.498 3.479 40 0 HGABRO COc1ccc(C2(C[NH+]3CCC(NC(=O)c4c(Cl)cnn4C)CC3)CC2)cc1 ZINC000019288564 558861523 /nfs/dbraw/zinc/86/15/23/558861523.db2.gz TWHNAVRQUWSUMR-UHFFFAOYSA-N 1 0 402.926 3.008 40 0 HGABRO FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4cnccn4)n3)C2)c1 ZINC000019293309 558865068 /nfs/dbraw/zinc/86/50/68/558865068.db2.gz AEMMKQMNTVMEPL-HNNXBMFYSA-N 1 0 403.412 3.061 40 0 HGABRO Fc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 ZINC000019335940 558869919 /nfs/dbraw/zinc/86/99/19/558869919.db2.gz GJAXCHXPNKGDKI-XOKHGSTOSA-N 1 0 413.419 3.496 40 0 HGABRO O=C(c1cccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019337644 558870531 /nfs/dbraw/zinc/87/05/31/558870531.db2.gz NJWOHLZSGDYNHW-NRFANRHFSA-N 1 0 421.545 3.223 40 0 HGABRO O=C(c1cccnc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019337524 558870677 /nfs/dbraw/zinc/87/06/77/558870677.db2.gz KNSJETDJLREJPW-OAQYLSRUSA-N 1 0 421.545 3.493 40 0 HGABRO O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1C[NH+]1CCCCCC1 ZINC000019349115 558874935 /nfs/dbraw/zinc/87/49/35/558874935.db2.gz CXTNYNJFTZBXHK-UHFFFAOYSA-N 1 0 412.534 3.256 40 0 HGABRO O=C(C[NH+]1CCCCCC1)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 ZINC000019369319 558877737 /nfs/dbraw/zinc/87/77/37/558877737.db2.gz VJONDQWVBAOWEK-OAQYLSRUSA-N 1 0 408.546 3.313 40 0 HGABRO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000019371993 558879413 /nfs/dbraw/zinc/87/94/13/558879413.db2.gz YNIOUQMUZSAWHY-JOCHJYFZSA-N 1 0 418.545 3.270 40 0 HGABRO O=C(NCc1ccccn1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372579 558879756 /nfs/dbraw/zinc/87/97/56/558879756.db2.gz JZTAGQODXMPPGU-DHIUTWEWSA-N 1 0 417.484 3.468 40 0 HGABRO O=C(NC1CCCC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372464 558879828 /nfs/dbraw/zinc/87/98/28/558879828.db2.gz YJACODYMOVJAQI-VXKWHMMOSA-N 1 0 419.573 3.351 40 0 HGABRO O=C1CCCN1c1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000019374911 558881524 /nfs/dbraw/zinc/88/15/24/558881524.db2.gz USBVQOHNEULINU-VXKWHMMOSA-N 1 0 422.525 3.198 40 0 HGABRO c1ccc(C[N@@H+]2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)nc1 ZINC000019401625 558883612 /nfs/dbraw/zinc/88/36/12/558883612.db2.gz SFISTZLIZUFIFQ-FQEVSTJZSA-N 1 0 416.529 3.150 40 0 HGABRO CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccc(C)cc4C)CC3)ccc21 ZINC000057811740 558890926 /nfs/dbraw/zinc/89/09/26/558890926.db2.gz ZATSJGSPNMQGDT-VWLOTQADSA-N 1 0 407.558 3.458 40 0 HGABRO C[C@]1(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000019460863 558893618 /nfs/dbraw/zinc/89/36/18/558893618.db2.gz FHUNESBEZKITGA-JOCHJYFZSA-N 1 0 412.921 3.399 40 0 HGABRO C[C@H]1CCC[N@H+](CCC(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)CCCC(=O)N3)C1 ZINC000019496559 558895417 /nfs/dbraw/zinc/89/54/17/558895417.db2.gz VKRCUIRKCUECQX-TXBYWVTISA-N 1 0 419.516 3.052 40 0 HGABRO C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC[NH+](Cc3ccccc3F)CC2)C[C@@H](C)O1 ZINC000019497343 558896151 /nfs/dbraw/zinc/89/61/51/558896151.db2.gz GELQOBTXWFMBTM-HZPDHXFCSA-N 1 0 400.498 3.178 40 0 HGABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1cc(C)ccc1C ZINC000019500307 558898513 /nfs/dbraw/zinc/89/85/13/558898513.db2.gz ZMJBBWPCJHYFFK-IBGZPJMESA-N 1 0 414.619 3.420 40 0 HGABRO CCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019501319 558899235 /nfs/dbraw/zinc/89/92/35/558899235.db2.gz BURUEWBWZCTNMV-HNNXBMFYSA-N 1 0 400.548 3.308 40 0 HGABRO CCc1ccc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019522875 558904118 /nfs/dbraw/zinc/90/41/18/558904118.db2.gz JOOGOVVGVOVCHQ-FQEVSTJZSA-N 1 0 420.557 3.007 40 0 HGABRO COc1ccc([C@H](NC(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)c2ccccc2)cc1 ZINC000019553324 558916622 /nfs/dbraw/zinc/91/66/22/558916622.db2.gz JDQHNFAGRDFFBK-LADGPHEKSA-N 1 0 421.541 3.034 40 0 HGABRO Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)s1 ZINC000019560128 558921155 /nfs/dbraw/zinc/92/11/55/558921155.db2.gz DBQXNMQKOYMEFT-QGZVFWFLSA-N 1 0 415.563 3.389 40 0 HGABRO COc1ccc2nc(C[NH+]3CCC(c4nnc(-c5cnccn5)o4)CC3)ccc2c1 ZINC000019563689 558923682 /nfs/dbraw/zinc/92/36/82/558923682.db2.gz WLSKSGHIGSBZBV-UHFFFAOYSA-N 1 0 402.458 3.463 40 0 HGABRO Cc1cc(C[NH+]2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)cc(C)c1O ZINC000019570020 558928855 /nfs/dbraw/zinc/92/88/55/558928855.db2.gz KQNGZJRHTBITBB-QHCPKHFHSA-N 1 0 406.530 3.146 40 0 HGABRO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000019578559 558934179 /nfs/dbraw/zinc/93/41/79/558934179.db2.gz IKHSEYOSOSBTBI-QFIPXVFZSA-N 1 0 420.561 3.263 40 0 HGABRO CN(CC[NH+](C)C)c1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000019582482 558937330 /nfs/dbraw/zinc/93/73/30/558937330.db2.gz OBVJHNYPVWLIOG-UHFFFAOYSA-N 1 0 420.536 3.234 40 0 HGABRO COC(=O)[C@]1(CC(=O)OCc2ccccc2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340221 558939060 /nfs/dbraw/zinc/93/90/60/558939060.db2.gz GDTMPFQXOAQHNR-CZSZKKDXSA-N 1 0 421.493 3.285 40 0 HGABRO CNc1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccc(Cl)cc4)n3)C2)cn1 ZINC000019592381 558943221 /nfs/dbraw/zinc/94/32/21/558943221.db2.gz RDRVMKKSROLQGO-MRXNPFEDSA-N 1 0 410.909 3.302 40 0 HGABRO COCCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 ZINC000019593788 558944931 /nfs/dbraw/zinc/94/49/31/558944931.db2.gz GZBCQQYHBBNARY-NZSAHSFTSA-N 1 0 421.492 3.206 40 0 HGABRO Cc1ncc(C[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)NCCO)C2)s1 ZINC000072352329 558948605 /nfs/dbraw/zinc/94/86/05/558948605.db2.gz PWMLGUMJECTREG-CQSZACIVSA-N 1 0 401.557 3.378 40 0 HGABRO Cc1cn2c(ncc(C(=O)NCC3([NH+]4CCCCC4)CCC(C)CC3)c2=O)s1 ZINC000019660224 558951421 /nfs/dbraw/zinc/95/14/21/558951421.db2.gz WZIDHJYBFDSZEE-UHFFFAOYSA-N 1 0 402.564 3.229 40 0 HGABRO COc1ccccc1CN(Cc1cnc(N2CCOCC2)s1)C1CC[NH+](C)CC1 ZINC000019664458 558954908 /nfs/dbraw/zinc/95/49/08/558954908.db2.gz AXHBPVIHVPQRFV-UHFFFAOYSA-N 1 0 416.591 3.085 40 0 HGABRO Cc1nccn1CCNC(=O)C1(Cc2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CCOCC1 ZINC000072372227 558959502 /nfs/dbraw/zinc/95/95/02/558959502.db2.gz PXRPVMGNJULMHG-HSZRJFAPSA-N 1 0 424.589 3.156 40 0 HGABRO CCc1nnc(Nc2cccc([C@@H]3CCC[N@@H+](CC(=O)N(CC)CC)C3)n2)s1 ZINC000072375939 558965032 /nfs/dbraw/zinc/96/50/32/558965032.db2.gz NKXRQXYLJZWYLE-OAHLLOKOSA-N 1 0 402.568 3.287 40 0 HGABRO CCc1nnc(Nc2cccc([C@H]3CCC[N@@H+](CC(=O)N(CC)CC)C3)n2)s1 ZINC000072375940 558965189 /nfs/dbraw/zinc/96/51/89/558965189.db2.gz NKXRQXYLJZWYLE-HNNXBMFYSA-N 1 0 402.568 3.287 40 0 HGABRO Cc1nnc(Nc2cccc(C3CC[NH+](CC(=O)N4CCC(C)CC4)CC3)n2)s1 ZINC000072376138 558965354 /nfs/dbraw/zinc/96/53/54/558965354.db2.gz MVXABIXBJIAYQE-UHFFFAOYSA-N 1 0 414.579 3.423 40 0 HGABRO CCOCc1ccc(C(=O)N2CCc3nc(C4CC[NH+](C)CC4)nc(NC)c3C2)cc1 ZINC000019711374 558973750 /nfs/dbraw/zinc/97/37/50/558973750.db2.gz BOVNBIBWWKWHHJ-UHFFFAOYSA-N 1 0 423.561 3.063 40 0 HGABRO CCn1c(C)nc2cc(NC(=O)[C@@H](C)C[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000019717663 558980476 /nfs/dbraw/zinc/98/04/76/558980476.db2.gz HDZSYJZYSNUAJD-KRWDZBQOSA-N 1 0 406.534 3.156 40 0 HGABRO CC[NH+](CC)C1CCN(C(=O)c2cnn3c2nccc3-c2ccc(OC)cc2)CC1 ZINC000019719037 558982711 /nfs/dbraw/zinc/98/27/11/558982711.db2.gz IOOYRPNBGWCBRC-UHFFFAOYSA-N 1 0 407.518 3.351 40 0 HGABRO C[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)Cc2ccc(N(C)C)cc2)CC3)C1 ZINC000585104477 559026994 /nfs/dbraw/zinc/02/69/94/559026994.db2.gz OZZNCBPKNORVDN-REWPJTCUSA-N 1 0 413.606 3.425 40 0 HGABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@@H](C)C4)C3)CC2)c1 ZINC000585104888 559027531 /nfs/dbraw/zinc/02/75/31/559027531.db2.gz VVCICVFJPCKLQH-XMSQKQJNSA-N 1 0 416.562 3.447 40 0 HGABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000585106315 559028707 /nfs/dbraw/zinc/02/87/07/559028707.db2.gz SLZDKCLCGIXQDX-OIISXLGYSA-N 1 0 421.944 3.320 40 0 HGABRO C[C@H](C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@H]21)c1ccccc1 ZINC000585108039 559029858 /nfs/dbraw/zinc/02/98/58/559029858.db2.gz XKSOIVWCAUSGSI-QLVMHMETSA-N 1 0 406.498 3.463 40 0 HGABRO C[N@@H+]1Cc2cccc(-c3cnc4n3CCN(C(=O)COCc3ccccc3)CC4)c2C1 ZINC000585111548 559030558 /nfs/dbraw/zinc/03/05/58/559030558.db2.gz VHMBGMOPRKSIML-UHFFFAOYSA-N 1 0 416.525 3.097 40 0 HGABRO CCCN1CC[N@H+](CCC(N)=O)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585172752 559068749 /nfs/dbraw/zinc/06/87/49/559068749.db2.gz DZBPCVWVGVFZCL-QFIPXVFZSA-N 1 0 407.558 3.250 40 0 HGABRO CC[NH+](CC)CCCNC(=O)[C@@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1 ZINC000096037538 559091266 /nfs/dbraw/zinc/09/12/66/559091266.db2.gz XLAHITNAXYYABG-QHCPKHFHSA-N 1 0 411.594 3.412 40 0 HGABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)s1 ZINC000096050107 559092128 /nfs/dbraw/zinc/09/21/28/559092128.db2.gz CLUCRERYHKSSFQ-UHFFFAOYSA-N 1 0 404.605 3.130 40 0 HGABRO CCN1CC[C@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)Cc2ccsc2)CC3)C1=O ZINC000096144329 559096640 /nfs/dbraw/zinc/09/66/40/559096640.db2.gz LYYQDOHJPAJPAZ-QHCPKHFHSA-N 1 0 417.619 3.110 40 0 HGABRO CCCCN(C)C(=O)c1ncn2c1nccc2C1CC[NH+](Cc2cccnc2)CC1 ZINC000096155705 559099869 /nfs/dbraw/zinc/09/98/69/559099869.db2.gz FOLLGBAKVOWZEQ-UHFFFAOYSA-N 1 0 406.534 3.376 40 0 HGABRO Cc1cccc(C[NH+]2CCC3(CC2)CN(C(=O)c2cnccn2)Cc2ccccc23)n1 ZINC000096242610 559104219 /nfs/dbraw/zinc/10/42/19/559104219.db2.gz FQOPJPZXTRHQNQ-UHFFFAOYSA-N 1 0 413.525 3.370 40 0 HGABRO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1ccccc1F ZINC000585262311 559110723 /nfs/dbraw/zinc/11/07/23/559110723.db2.gz SONUWHPYSDDBOZ-CZYKHXBRSA-N 1 0 416.468 3.130 40 0 HGABRO CC(C)([NH3+])C(=O)N1CCC(c2cccc(Nc3ncc(Br)s3)n2)CC1 ZINC000585263096 559111945 /nfs/dbraw/zinc/11/19/45/559111945.db2.gz JUOLHFNXSQJMRC-UHFFFAOYSA-N 1 0 424.368 3.488 40 0 HGABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](CC(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000585272273 559117902 /nfs/dbraw/zinc/11/79/02/559117902.db2.gz HKRXKUCLMRRRRC-HSZRJFAPSA-N 1 0 400.494 3.046 40 0 HGABRO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C[NH+](C)C)C=C3C)[nH]c2n1 ZINC000072320898 560077912 /nfs/dbraw/zinc/07/79/12/560077912.db2.gz XKADECPHJUWIAJ-BZSNNMDCSA-N 1 0 413.566 3.041 40 0 biogenic,in-vitro HGABRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000004860172 560613088 /nfs/dbraw/zinc/61/30/88/560613088.db2.gz NMYUOOSXYPLFKM-UHFFFAOYSA-N 1 0 422.485 3.161 40 0 HGABRO Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409053444 560669812 /nfs/dbraw/zinc/66/98/12/560669812.db2.gz KCORKLIGJJGTQS-KSYIGNPDSA-O 1 0 402.449 3.150 40 0 HGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccccc2)cc1 ZINC000409059435 560670986 /nfs/dbraw/zinc/67/09/86/560670986.db2.gz NFZLFGAHROXXHS-WFZBXURCSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409061007 560672765 /nfs/dbraw/zinc/67/27/65/560672765.db2.gz BJKVTOLIPYXWHE-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409071079 560673280 /nfs/dbraw/zinc/67/32/80/560673280.db2.gz OINGYPGZOSFFRG-CIPQKONYSA-O 1 0 422.867 3.495 40 0 HGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000409073961 560673648 /nfs/dbraw/zinc/67/36/48/560673648.db2.gz UZWYXSNHSFOKSA-AYHYUOJHSA-O 1 0 414.485 3.020 40 0 HGABRO CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1ccc(I)cc1 ZINC000107371325 560896368 /nfs/dbraw/zinc/89/63/68/560896368.db2.gz OOHMGFVESXSZOQ-ZDUSSCGKSA-N 1 0 424.348 3.080 40 0 HGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccccc2Cl)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382302 568489578 /nfs/dbraw/zinc/48/95/78/568489578.db2.gz NOSIWKOILCOGMQ-OHUMZHCVSA-N 1 0 423.944 3.487 40 0 biogenic,in-vitro HGABRO C[C@@H]1C[C@H](OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)CC(C)(C)C1 ZINC000022912792 568500448 /nfs/dbraw/zinc/50/04/48/568500448.db2.gz DTSWGECSRZRXQY-GIVPXCGWSA-N 1 0 418.578 3.125 40 0 HGABRO Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)nc1 ZINC000223215164 568541299 /nfs/dbraw/zinc/54/12/99/568541299.db2.gz OLTHXGWYXSOHGT-FGZHOGPDSA-N 1 0 420.586 3.500 40 0 HGABRO COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223279587 568543884 /nfs/dbraw/zinc/54/38/84/568543884.db2.gz PXHMPDDDKLBOJN-FCHUYYIVSA-N 1 0 421.570 3.415 40 0 HGABRO COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1 ZINC000223279404 568543890 /nfs/dbraw/zinc/54/38/90/568543890.db2.gz JDWPKDMXEUHNTN-VXKWHMMOSA-N 1 0 421.570 3.415 40 0 HGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 ZINC000224398789 568580249 /nfs/dbraw/zinc/58/02/49/568580249.db2.gz BXDSIDKIGYAAFQ-HXUWFJFHSA-N 1 0 421.607 3.309 40 0 HGABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(CN2CCOCC2)cc1 ZINC000224806909 568597765 /nfs/dbraw/zinc/59/77/65/568597765.db2.gz CJISGPAIOGXLLV-UHFFFAOYSA-N 1 0 407.558 3.435 40 0 HGABRO COC(=O)c1ccc(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224834618 568599373 /nfs/dbraw/zinc/59/93/73/568599373.db2.gz OKVWJZLOBOQVRW-UHFFFAOYSA-N 1 0 416.543 3.079 40 0 HGABRO CC(C)n1c2ccc(S(=O)(=O)NCCC[NH+]3CCC(C)CC3)cc2sc1=O ZINC000225712038 568666894 /nfs/dbraw/zinc/66/68/94/568666894.db2.gz NUTLQPXDXBKNFD-UHFFFAOYSA-N 1 0 411.593 3.044 40 0 HGABRO Cc1cccc(N(CCCC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)S(C)(=O)=O)c1C ZINC000225840966 568679794 /nfs/dbraw/zinc/67/97/94/568679794.db2.gz BAFAHWNLJVHJCR-GOSISDBHSA-N 1 0 423.623 3.088 40 0 HGABRO Cc1cccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c1 ZINC000061997548 568711229 /nfs/dbraw/zinc/71/12/29/568711229.db2.gz VPMFYHWUKMLBMB-PHJBHIMUSA-N 1 0 424.585 3.402 40 0 HGABRO Cc1ccc(F)c(NC(=O)CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)[C@@H](O)C2)c1 ZINC000257216143 568780790 /nfs/dbraw/zinc/78/07/90/568780790.db2.gz CTHOIOWNEYECPH-UPVQGACJSA-N 1 0 411.521 3.174 40 0 HGABRO CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CC[N@H+](C)Cc2cccnc2)n1 ZINC000257216202 568780795 /nfs/dbraw/zinc/78/07/95/568780795.db2.gz CTNVSXKSCBBIKW-NRFANRHFSA-N 1 0 418.545 3.410 40 0 HGABRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N2CCCCC2)C1 ZINC000257233526 568785767 /nfs/dbraw/zinc/78/57/67/568785767.db2.gz GPPXKHPUMFJXNJ-GOSISDBHSA-N 1 0 406.534 3.372 40 0 HGABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)CN1CCCCCC1=O)[C@@H]3Cc1ccccc1 ZINC000257238312 568787016 /nfs/dbraw/zinc/78/70/16/568787016.db2.gz HKKPIXUWTLGUEM-FEFHMDPLSA-N 1 0 409.574 3.132 40 0 HGABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccccn3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257263797 568793924 /nfs/dbraw/zinc/79/39/24/568793924.db2.gz LRMYECAEZIWRDW-LJQANCHMSA-N 1 0 407.562 3.469 40 0 HGABRO Cc1cnc(Nc2cc(CC3CCN(C(=O)[C@@H]4CCCC[NH2+]4)CC3)nc(C)n2)s1 ZINC000257272528 568796307 /nfs/dbraw/zinc/79/63/07/568796307.db2.gz NCTBOAOIXLQXRT-SFHVURJKSA-N 1 0 414.579 3.217 40 0 HGABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCC3(O)CC[NH+](C)CC3)c1O)OC2(C)C ZINC000257276439 568797515 /nfs/dbraw/zinc/79/75/15/568797515.db2.gz NTTQYXYQLHOELY-KBAYOESNSA-N 1 0 416.562 3.270 40 0 HGABRO Cc1ccc(=O)n(CC(=O)N2[C@H](Cc3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@H+]3C)n1 ZINC000257279923 568798460 /nfs/dbraw/zinc/79/84/60/568798460.db2.gz OISZUPWMWKLRDI-SLSDLSHTSA-N 1 0 422.573 3.028 40 0 HGABRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCCc1cc(=O)[nH][nH]1 ZINC000257283213 568799422 /nfs/dbraw/zinc/79/94/22/568799422.db2.gz OXFZNQCMEIMOQF-MJGOQNOKSA-N 1 0 400.523 3.463 40 0 HGABRO CC[NH+]1CCC(CC(=O)N2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)CC1 ZINC000257295730 568803205 /nfs/dbraw/zinc/80/32/05/568803205.db2.gz QZPYIPKBBYKKBM-LJQANCHMSA-N 1 0 408.550 3.443 40 0 HGABRO COc1ccc(C)cc1NC(=O)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257314532 568808561 /nfs/dbraw/zinc/80/85/61/568808561.db2.gz UXKKIHCRCKNMOQ-ZCYQVOJMSA-N 1 0 423.557 3.044 40 0 HGABRO Cc1ccccc1C[NH+]1CCC(c2nnc([C@H]3CCCCN3S(C)(=O)=O)o2)CC1 ZINC000257333136 568814039 /nfs/dbraw/zinc/81/40/39/568814039.db2.gz YAHFWKCPGAXVBZ-LJQANCHMSA-N 1 0 418.563 3.244 40 0 HGABRO Cc1nonc1CC(=O)N1CC[C@@H](c2cc(Nc3nc(C)c(C)s3)cc(C)[nH+]2)C1 ZINC000257340221 568816169 /nfs/dbraw/zinc/81/61/69/568816169.db2.gz ZFCQQCKIFWXNCK-OAHLLOKOSA-N 1 0 412.519 3.457 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218533502 568880702 /nfs/dbraw/zinc/88/07/02/568880702.db2.gz SRMQAWYJNWDINO-HBFSDRIKSA-N 1 0 407.919 3.096 40 0 HGABRO CC(C)NC(=O)NC[C@H]1N(C(=O)CCc2ccccc2)CCCC12CC[NH+](C)CC2 ZINC000306124550 568887450 /nfs/dbraw/zinc/88/74/50/568887450.db2.gz BTMCKRXJDHJJMT-OAQYLSRUSA-N 1 0 414.594 3.030 40 0 HGABRO C[N@@H+]1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306126818 568889622 /nfs/dbraw/zinc/88/96/22/568889622.db2.gz FGBLYYGGKNDFMA-SFHVURJKSA-N 1 0 404.514 3.316 40 0 HGABRO Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](CNC(=O)c4ccc(C)cc4)O3)C2)cc1 ZINC000306135790 568897711 /nfs/dbraw/zinc/89/77/11/568897711.db2.gz PAXKMWPDJXWEKB-ZCYQVOJMSA-N 1 0 408.542 3.483 40 0 HGABRO Cc1cnc(N2CC[C@H](NC(=O)C(C)C)[C@]3(CC[N@H+](Cc4cccs4)C3)C2)nc1 ZINC000306136052 568897937 /nfs/dbraw/zinc/89/79/37/568897937.db2.gz PHNIALQQRMGAAE-UGKGYDQZSA-N 1 0 413.591 3.090 40 0 HGABRO Cc1cnc(N2CC[C@H](NC(=O)C(C)C)[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)nc1 ZINC000306136051 568898022 /nfs/dbraw/zinc/89/80/22/568898022.db2.gz PHNIALQQRMGAAE-SIKLNZKXSA-N 1 0 413.591 3.090 40 0 HGABRO COc1ncccc1C[N@@H+]1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136335 568898212 /nfs/dbraw/zinc/89/82/12/568898212.db2.gz PQIVDAGKHXRGNV-GBXCKJPGSA-N 1 0 423.561 3.096 40 0 HGABRO COCCN1CC[C@]2(C[N@H+](Cc3sccc3C)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306136874 568898710 /nfs/dbraw/zinc/89/87/10/568898710.db2.gz QFJZHKJMBUTWRL-PGRDOPGGSA-N 1 0 416.591 3.298 40 0 HGABRO Cc1ccsc1C[N@@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@@H]2C1 ZINC000306138939 568900957 /nfs/dbraw/zinc/90/09/57/568900957.db2.gz SLDIFKOWBQPBHO-HUUCEWRRSA-N 1 0 411.506 3.344 40 0 HGABRO CCc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCc4cncn4C)nc23)cc1 ZINC000306144730 568906113 /nfs/dbraw/zinc/90/61/13/568906113.db2.gz ZNILZPBEQVSESA-DEOSSOPVSA-N 1 0 418.545 3.059 40 0 HGABRO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101341858 568916972 /nfs/dbraw/zinc/91/69/72/568916972.db2.gz GDODBXYULPSREU-ZQAYVECASA-N 1 0 421.884 3.080 40 0 HGABRO CCOC[C@@]1(C[NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218121605 568926059 /nfs/dbraw/zinc/92/60/59/568926059.db2.gz ZJNJMNNUEPNQEG-AABGKKOBSA-N 1 0 409.935 3.270 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2cccnc2)n1 ZINC000328957948 568969563 /nfs/dbraw/zinc/96/95/63/568969563.db2.gz AMPIKMLETCDSRK-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccccc2Br)CC1 ZINC000226258759 569278693 /nfs/dbraw/zinc/27/86/93/569278693.db2.gz HNRSCZMEZBBURF-UHFFFAOYSA-N 1 0 403.324 3.426 40 0 HGABRO CCOc1ccc(COC)cc1C[N@@H+]1CC[C@H](c2ncncc2-c2noc(C)n2)C1 ZINC000019693723 569346559 /nfs/dbraw/zinc/34/65/59/569346559.db2.gz RBCMPYQBZXTBLN-KRWDZBQOSA-N 1 0 409.490 3.370 40 0 HGABRO Cn1cc(-c2ccc([C@@H]3CN(C(=O)CCC[NH+]4CCCCCC4)CCO3)nc2)cn1 ZINC000019693806 569346562 /nfs/dbraw/zinc/34/65/62/569346562.db2.gz QHFDHGROSRQGDI-QFIPXVFZSA-N 1 0 411.550 3.038 40 0 HGABRO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CC[N@H+](Cc3cn(C)nc3C)C2)cc1 ZINC000019694776 569346644 /nfs/dbraw/zinc/34/66/44/569346644.db2.gz LFOORQZQAGFKQA-GOSISDBHSA-N 1 0 406.534 3.250 40 0 HGABRO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CC[N@H+](Cc3cnn(C)c3C)C2)c1 ZINC000019694806 569346695 /nfs/dbraw/zinc/34/66/95/569346695.db2.gz XLIOXHQELHQURR-GOSISDBHSA-N 1 0 406.534 3.250 40 0 HGABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3ccc(-n4cnnn4)cc3)cc2)C1 ZINC000019711828 569348233 /nfs/dbraw/zinc/34/82/33/569348233.db2.gz JVXCFJUEXVFTDM-YADHBBJMSA-N 1 0 420.517 3.477 40 0 HGABRO CC(=O)N1CCC[C@H]1c1nc(C[N@H+](C)Cc2cccc3ncccc23)cc(N(C)C)n1 ZINC000019760322 569348857 /nfs/dbraw/zinc/34/88/57/569348857.db2.gz BHORSUBFJPSUIG-QFIPXVFZSA-N 1 0 418.545 3.406 40 0 HGABRO COc1ccccc1OCC[NH2+]C[C@H](O)COc1cccc2[nH]c3c(c21)CCCC3 ZINC000065748809 569393465 /nfs/dbraw/zinc/39/34/65/569393465.db2.gz DEZWFYYHJOWXBH-KRWDZBQOSA-N 1 0 410.514 3.464 40 0 in-vitro HGABRO CC(C)(C)NC(=O)CNC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019748339 569429491 /nfs/dbraw/zinc/42/94/91/569429491.db2.gz ZHWPUPCRIUQHFQ-UHFFFAOYSA-N 1 0 413.484 3.338 40 0 HGABRO COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)C2)o1 ZINC000049170077 291241022 /nfs/dbraw/zinc/24/10/22/291241022.db2.gz WKGBDVDBQYYRLF-INIZCTEOSA-N 1 0 413.499 3.138 40 0 biogenic,in-vitro HGABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1 ZINC000044857118 524385560 /nfs/dbraw/zinc/38/55/60/524385560.db2.gz YSNFTZCHFUASJS-GOSISDBHSA-N 1 0 414.571 3.488 40 0 HGABRO CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(Cl)c1 ZINC000044872801 525216288 /nfs/dbraw/zinc/21/62/88/525216288.db2.gz JKPAJURWHFYPSQ-UHFFFAOYSA-N 1 0 421.950 3.237 40 0 HGABRO CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@@H+](C)CC[C@]513 ZINC000004102214 557513736 /nfs/dbraw/zinc/51/37/36/557513736.db2.gz CAHCBJPUTCKATP-NNFUYEGGSA-N 1 0 411.542 3.164 40 0 in-man HGABRO COc1cc(C(=O)N2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000408613128 557531250 /nfs/dbraw/zinc/53/12/50/557531250.db2.gz XNLLIYMBBDXPEM-HXUWFJFHSA-N 1 0 410.514 3.375 40 0 HGABRO COc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCc1ccc(F)cc1 ZINC000007541460 557746391 /nfs/dbraw/zinc/74/63/91/557746391.db2.gz UXKFDJVDYSHTNS-UHFFFAOYSA-N 1 0 417.510 3.209 40 0 HGABRO Cc1cc(C(=O)NCCC[NH+]2CCCC2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010112495 557855415 /nfs/dbraw/zinc/85/54/15/557855415.db2.gz QFCHVUGRCWHVIB-UHFFFAOYSA-N 1 0 401.532 3.012 40 0 HGABRO Cc1cccnc1CNC(=O)c1ccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019752754 558272080 /nfs/dbraw/zinc/27/20/80/558272080.db2.gz JUKNPXLTVGMJJA-FQEVSTJZSA-N 1 0 401.514 3.490 40 0 HGABRO CC(=O)N1c2ccc([C@H](O)C[NH+]3CCC(O)(c4ccccc4F)CC3)cc2C[C@@H]1C ZINC000012146830 558338069 /nfs/dbraw/zinc/33/80/69/558338069.db2.gz ZGOICTZVXJJBKG-QMHKHESXSA-N 1 0 412.505 3.140 40 0 HGABRO CC(=O)N1c2ccc([C@H](O)C[NH+]3CCC(O)(c4ccccc4C)CC3)cc2C[C@@H]1C ZINC000012146840 558338073 /nfs/dbraw/zinc/33/80/73/558338073.db2.gz KLVMYAZBIBJBJQ-MHECFPHRSA-N 1 0 408.542 3.310 40 0 HGABRO O=C(C[NH+]1CCCC1)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000012157806 558340938 /nfs/dbraw/zinc/34/09/38/558340938.db2.gz FFYWBFHDMBUKQI-UHFFFAOYSA-N 1 0 400.548 3.078 40 0 HGABRO CCC(=O)N1CCc2cc([C@@H](O)C[NH+]3CCC(O)(c4ccc(C)cc4)CC3)ccc21 ZINC000012181114 558342710 /nfs/dbraw/zinc/34/27/10/558342710.db2.gz LYYNOWRTTGYYLJ-QHCPKHFHSA-N 1 0 408.542 3.311 40 0 HGABRO CCc1nc2ccccc2c(=O)n1CC1(O)CC[NH+](Cc2cccc(C)c2OC)CC1 ZINC000012187310 558346365 /nfs/dbraw/zinc/34/63/65/558346365.db2.gz IMYMVZKAKBTARB-UHFFFAOYSA-N 1 0 421.541 3.303 40 0 HGABRO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+](Cc4ccc5c(c4)OCCO5)[C@H]3C2)cc1 ZINC000012188423 558347332 /nfs/dbraw/zinc/34/73/32/558347332.db2.gz HOKSZFOAEJNLLW-CTNGQTDRSA-N 1 0 408.498 3.203 40 0 HGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCO4)CC1)C[C@@H]2O ZINC000012329307 558384013 /nfs/dbraw/zinc/38/40/13/558384013.db2.gz YUPQQSBWLXTTIU-SFTDATJTSA-N 1 0 411.498 3.014 40 0 HGABRO O=c1c2cnc3nc(-c4ccccc4Cl)nn3c2ccn1CC[NH+]1CCCCC1 ZINC000020676959 558400274 /nfs/dbraw/zinc/40/02/74/558400274.db2.gz IJZVIGIWFRXAEJ-UHFFFAOYSA-N 1 0 408.893 3.246 40 0 HGABRO O=C1NCCN1CCN1CC[NH+]([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccccc32)CC1 ZINC000022463226 558490845 /nfs/dbraw/zinc/49/08/45/558490845.db2.gz GHAMYXPEZSUOCU-XZOQPEGZSA-N 1 0 408.521 3.045 40 0 in-man HGABRO O=S1(=O)N[C@H](C2CC[NH+](Cc3ccc4ccccc4n3)CC2)Nc2ccccc21 ZINC000013267686 558528404 /nfs/dbraw/zinc/52/84/04/558528404.db2.gz SXBNCQWACWQORJ-JOCHJYFZSA-N 1 0 408.527 3.177 40 0 HGABRO Cc1cc(C(=O)NCC[NH+]2CCCCCC2)ccc1NS(=O)(=O)c1ccccc1 ZINC000013676788 558564671 /nfs/dbraw/zinc/56/46/71/558564671.db2.gz HMZNQEADEXPBIF-UHFFFAOYSA-N 1 0 415.559 3.402 40 0 HGABRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000026842690 558665626 /nfs/dbraw/zinc/66/56/26/558665626.db2.gz DJPMACLZUPRZGW-UHFFFAOYSA-N 1 0 422.934 3.201 40 0 HGABRO COCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000039765902 558685921 /nfs/dbraw/zinc/68/59/21/558685921.db2.gz QMPNBTAVEXSULH-UHFFFAOYSA-N 1 0 409.530 3.222 40 0 HGABRO CCC(=O)N1CCc2cc([C@H](O)C[N@@H+]3CCC[C@](O)(c4ccccc4OC)C3)ccc21 ZINC000036740058 558801456 /nfs/dbraw/zinc/80/14/56/558801456.db2.gz BYBQVVZADSKVRJ-RCZVLFRGSA-N 1 0 424.541 3.011 40 0 HGABRO CC(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccccc4)CC3)ccc21 ZINC000036741217 558802126 /nfs/dbraw/zinc/80/21/26/558802126.db2.gz VGWXPEQHZPQBDU-XMMPIXPASA-N 1 0 407.558 3.477 40 0 HGABRO Cc1nn2cnnc2c(C)c1CCC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000036752679 558803006 /nfs/dbraw/zinc/80/30/06/558803006.db2.gz DKGBXUQEHJDOMY-OAQYLSRUSA-N 1 0 406.534 3.017 40 0 HGABRO Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCC[N@H+](CC(=O)N3CCCCC3)C2)on1 ZINC000019124134 558844198 /nfs/dbraw/zinc/84/41/98/558844198.db2.gz PBEAILRRQULQKS-GOSISDBHSA-N 1 0 422.533 3.193 40 0 HGABRO Cn1ccnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000019291297 558863839 /nfs/dbraw/zinc/86/38/39/558863839.db2.gz ATHZOPWLUAKWTM-XZOQPEGZSA-N 1 0 421.589 3.061 40 0 HGABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000019371998 558879429 /nfs/dbraw/zinc/87/94/29/558879429.db2.gz VSUACZNVJHUADL-JOCHJYFZSA-N 1 0 418.545 3.270 40 0 HGABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000019371995 558879564 /nfs/dbraw/zinc/87/95/64/558879564.db2.gz VSUACZNVJHUADL-QFIPXVFZSA-N 1 0 418.545 3.270 40 0 HGABRO O=C1CCC[C@]2(C[N@H+](Cc3cnc(N4CCCCC4)nc3)C[C@H]2c2ccccc2)N1 ZINC000019373762 558880975 /nfs/dbraw/zinc/88/09/75/558880975.db2.gz ZCJVXQKWIPAFFC-XUZZJYLKSA-N 1 0 405.546 3.105 40 0 HGABRO O=C(c1cc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)no1)N1CCC[C@@H](O)C1 ZINC000019376063 558882158 /nfs/dbraw/zinc/88/21/58/558882158.db2.gz FXUKFYCALKXJAD-LJQANCHMSA-N 1 0 420.513 3.199 40 0 HGABRO O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019400066 558882580 /nfs/dbraw/zinc/88/25/80/558882580.db2.gz FAIOMYREOLTCJO-OAQYLSRUSA-N 1 0 421.545 3.081 40 0 HGABRO CC(C)[NH+]1CCC(NC(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)CC1 ZINC000019447848 558886722 /nfs/dbraw/zinc/88/67/22/558886722.db2.gz UEFQTADQQHXHFE-UHFFFAOYSA-N 1 0 414.575 3.249 40 0 HGABRO CC(C)Oc1ccc(C[NH+]2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)cc1 ZINC000019450588 558888887 /nfs/dbraw/zinc/88/88/87/558888887.db2.gz YQHJQISOIHANGQ-UHFFFAOYSA-N 1 0 407.514 3.211 40 0 HGABRO CC(C)OC[C@H](O)C[NH+]1CCN(Cc2c3cccnc3[nH]c2-c2cccs2)CC1 ZINC000019450400 558888891 /nfs/dbraw/zinc/88/88/91/558888891.db2.gz UJEHQMZRGYUMAO-QGZVFWFLSA-N 1 0 414.575 3.195 40 0 HGABRO C[C@H](CCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1)[NH+]1CCN(C)CC1 ZINC000019455590 558891901 /nfs/dbraw/zinc/89/19/01/558891901.db2.gz BGEWVEZQVKTWKK-VGOFRKELSA-N 1 0 400.954 3.357 40 0 HGABRO COc1cccc([C@@H]2CN(C(=O)C[N@@H+]3CCCC[C@H]3C)C[C@H]2c2csnn2)c1 ZINC000019496348 558895181 /nfs/dbraw/zinc/89/51/81/558895181.db2.gz YIKNDKBGGIAACV-AYOQOUSVSA-N 1 0 400.548 3.131 40 0 HGABRO COc1ccccc1C[NH+]1CCC(c2n[nH]cc2C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000019497347 558896384 /nfs/dbraw/zinc/89/63/84/558896384.db2.gz DBYOCWTVEMLRTR-IRXDYDNUSA-N 1 0 412.534 3.047 40 0 HGABRO CC[C@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2OC)CC3)C1 ZINC000019499783 558897766 /nfs/dbraw/zinc/89/77/66/558897766.db2.gz OQATWKUFUVPNCU-FUHWJXTLSA-N 1 0 424.545 3.111 40 0 HGABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)c(C)c1 ZINC000019500310 558898569 /nfs/dbraw/zinc/89/85/69/558898569.db2.gz OPAJQCVBEKXAAE-HXUWFJFHSA-N 1 0 414.619 3.420 40 0 HGABRO CCn1ncc(Cl)c1C(=O)NC1CC[NH+](CC2(c3ccc(OC)cc3)CC2)CC1 ZINC000019523997 558905286 /nfs/dbraw/zinc/90/52/86/558905286.db2.gz KMBYSXYHSISSNU-UHFFFAOYSA-N 1 0 416.953 3.491 40 0 HGABRO COc1cc(C)c(C[NH+]2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)cc1C ZINC000019567258 558926801 /nfs/dbraw/zinc/92/68/01/558926801.db2.gz CEUJYWZYYPFXDK-UHFFFAOYSA-N 1 0 407.514 3.049 40 0 HGABRO CCn1cc(C[N@@H+]2CCCC[C@H]3CN(C(=O)c4cccc(OC)c4OC)C[C@H]32)cn1 ZINC000072330686 558935129 /nfs/dbraw/zinc/93/51/29/558935129.db2.gz WWRJVKYMZQEHDC-AZUAARDMSA-N 1 0 412.534 3.047 40 0 HGABRO COCCc1ncc(C[N@@H+]2CCC[C@H](c3cc(-c4cncnc4)cc(C)n3)C2)cn1 ZINC000072353759 558950891 /nfs/dbraw/zinc/95/08/91/558950891.db2.gz CLAJJLNLRRIBFQ-IBGZPJMESA-N 1 0 404.518 3.206 40 0 HGABRO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@@H+]3Cc3cn(C)nc3C)c2)cn1 ZINC000019691058 558960514 /nfs/dbraw/zinc/96/05/14/558960514.db2.gz SYMBLVZXJXJCIS-QFIPXVFZSA-N 1 0 404.518 3.191 40 0 HGABRO Cc1cc(-c2cnc(N)nc2)cc(C2CC[NH+](CC(=O)NC3CCCCC3)CC2)n1 ZINC000019691945 558961509 /nfs/dbraw/zinc/96/15/09/558961509.db2.gz CZBWCFCYFHOWFI-UHFFFAOYSA-N 1 0 408.550 3.058 40 0 HGABRO CC(C)CC(=O)N1CCO[C@H](c2c3ccccc3sc2C(=O)NCC[NH+](C)C)C1 ZINC000019697916 558965501 /nfs/dbraw/zinc/96/55/01/558965501.db2.gz FIEIGYOKHLAIRM-KRWDZBQOSA-N 1 0 417.575 3.139 40 0 HGABRO Cc1nc(C2CC[NH+](C3CCOCC3)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000019705661 558968136 /nfs/dbraw/zinc/96/81/36/558968136.db2.gz QHXHBZUIIXGRDS-UHFFFAOYSA-N 1 0 407.562 3.491 40 0 HGABRO Cc1nc(C2CCN(C(=O)C[NH+](C)C)CC2)nc2c1CCCN2CCc1ccccc1 ZINC000019705738 558968147 /nfs/dbraw/zinc/96/81/47/558968147.db2.gz SWPBCDWAQGXBTG-UHFFFAOYSA-N 1 0 421.589 3.048 40 0 HGABRO O=c1cc([C@H]2CCC[N@H+](Cc3coc4ccccc4c3=O)C2)nc(-c2ccccn2)[nH]1 ZINC000072393246 558972836 /nfs/dbraw/zinc/97/28/36/558972836.db2.gz NBNIMQRKLUVYLV-INIZCTEOSA-N 1 0 414.465 3.318 40 0 HGABRO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](C)C3)nc(N3CCC(C(C)(C)C)CC3)c2C1 ZINC000019711297 558973372 /nfs/dbraw/zinc/97/33/72/558973372.db2.gz MXRUXZBWFUYBGO-SFHVURJKSA-N 1 0 413.610 3.453 40 0 HGABRO CC(C)COC(=O)NC1CC2(C1)CC[NH+](Cc1ccnc(N3CCOCC3)c1)CC2 ZINC000585104331 559026980 /nfs/dbraw/zinc/02/69/80/559026980.db2.gz ZDMVBZUULMWTDQ-UHFFFAOYSA-N 1 0 416.566 3.045 40 0 HGABRO Cc1noc(C)c1C(=O)N1CCC2(C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000585113474 559031259 /nfs/dbraw/zinc/03/12/59/559031259.db2.gz OARFUQUWBBCVBV-DEOSSOPVSA-N 1 0 409.530 3.436 40 0 HGABRO CCN1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000096037020 559090761 /nfs/dbraw/zinc/09/07/61/559090761.db2.gz NWVLTLWEIOLXRV-UHFFFAOYSA-N 1 0 420.561 3.119 40 0 HGABRO COc1ccc(C[NH+]2CCC3(CC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000096051634 559092292 /nfs/dbraw/zinc/09/22/92/559092292.db2.gz ISBKUKVTICNGGW-NRFANRHFSA-N 1 0 400.544 3.418 40 0 HGABRO CN1CCN(C(=O)C[C@H]2CC3(CC[NH+](Cc4ccncc4)CC3)c3ccccc32)CC1 ZINC000096052946 559092784 /nfs/dbraw/zinc/09/27/84/559092784.db2.gz PPMBBXHBSPQWDT-QFIPXVFZSA-N 1 0 418.585 3.267 40 0 HGABRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21 ZINC000096242212 559103821 /nfs/dbraw/zinc/10/38/21/559103821.db2.gz UNTNMVDYWZVLHU-SFHVURJKSA-N 1 0 409.530 3.009 40 0 HGABRO Cc1noc(C)c1C(=O)N1Cc2ccccc2C2(CC[NH+](C3CCOCC3)CC2)C1 ZINC000096242472 559104066 /nfs/dbraw/zinc/10/40/66/559104066.db2.gz CTMYMTCIRGBXJC-UHFFFAOYSA-N 1 0 409.530 3.460 40 0 HGABRO O=S(=O)(c1ccccc1)N1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC000096245398 559104991 /nfs/dbraw/zinc/10/49/91/559104991.db2.gz AMROHVSSEUFAAR-IRXDYDNUSA-N 1 0 410.461 3.458 40 0 HGABRO COc1ccc(C[NH+]2CCC(c3ccnc4c(C(=O)N5CCCC5)ncn43)CC2)cc1 ZINC000096267255 559108134 /nfs/dbraw/zinc/10/81/34/559108134.db2.gz VHXOXRSHKHVCIO-UHFFFAOYSA-N 1 0 419.529 3.354 40 0 HGABRO CSCC[C@@H]([NH3+])C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1 ZINC000585263570 559112049 /nfs/dbraw/zinc/11/20/49/559112049.db2.gz QCJSWBMQUZEOSB-OAHLLOKOSA-N 1 0 420.608 3.080 40 0 HGABRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000072216620 559169504 /nfs/dbraw/zinc/16/95/04/559169504.db2.gz IUSHXNZPWILVGY-OAQYLSRUSA-N 1 0 414.575 3.058 40 0 HGABRO COc1ccc2[nH]c(=O)c(CN(C(=S)NCCC[NH+](C)C)C3CCCC3)cc2c1 ZINC000004133326 560600426 /nfs/dbraw/zinc/60/04/26/560600426.db2.gz UCGRAXFQTQPNSD-UHFFFAOYSA-N 1 0 416.591 3.108 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000409052736 560669526 /nfs/dbraw/zinc/66/95/26/560669526.db2.gz HXWOXDUAHMBITL-MKTJXXHISA-O 1 0 404.877 3.356 40 0 HGABRO Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 ZINC000409056443 560670409 /nfs/dbraw/zinc/67/04/09/560670409.db2.gz GOKDFCIEXDHKQE-KSYIGNPDSA-O 1 0 402.449 3.150 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@@H]1c1ccccc1)c1ccccc1 ZINC000409060043 560671053 /nfs/dbraw/zinc/67/10/53/560671053.db2.gz VAKLZXHPWMTFTJ-LADMSCKDSA-O 1 0 404.877 3.356 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409054744 560671367 /nfs/dbraw/zinc/67/13/67/560671367.db2.gz BHBCFOGLJUCSFE-CIPQKONYSA-O 1 0 422.867 3.495 40 0 HGABRO Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409061576 560671764 /nfs/dbraw/zinc/67/17/64/560671764.db2.gz FXJSUONEGDLKHO-WAUWHALJSA-O 1 0 416.476 3.459 40 0 HGABRO O=C(CCN1Cc2ccccc2C1=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000409414335 560723345 /nfs/dbraw/zinc/72/33/45/560723345.db2.gz KMWOXVJLEQBKSZ-YQHSJXJLSA-N 1 0 419.569 3.454 40 0 HGABRO O=C(NCCC[NH+]1CCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000010450148 560769757 /nfs/dbraw/zinc/76/97/57/560769757.db2.gz CDUGDPJDNXAUNM-JOCHJYFZSA-N 1 0 413.543 3.270 40 0 HGABRO COc1cc(O)ccc1OCC[NH2+]C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000002526388 560861546 /nfs/dbraw/zinc/86/15/46/560861546.db2.gz ZCJHEORDHXCJNB-QGZVFWFLSA-N 1 0 422.481 3.444 40 0 endogenous,world HGABRO CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000019499689 560873592 /nfs/dbraw/zinc/87/35/92/560873592.db2.gz YRTKSNLGIYOOAR-OAQYLSRUSA-N 1 0 412.582 3.476 40 0 HGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020411331 560883827 /nfs/dbraw/zinc/88/38/27/560883827.db2.gz WRMKBSBJQCLVBI-PHJBHIMUSA-N 1 0 424.585 3.089 40 0 HGABRO Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCCC[NH+](C)C)c2)cc1 ZINC000224343170 568578539 /nfs/dbraw/zinc/57/85/39/568578539.db2.gz LUPYTHGUAXCLIY-UHFFFAOYSA-N 1 0 423.966 3.155 40 0 HGABRO Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccccc31)[N@H+]1CCC[C@@H]21 ZINC000020462218 568609972 /nfs/dbraw/zinc/60/99/72/568609972.db2.gz QYKFPSKFNDXJHN-KEXUJGGDSA-N 1 0 421.884 3.080 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242495180 568687497 /nfs/dbraw/zinc/68/74/97/568687497.db2.gz FYDSZLRCGNAQST-NLWGTHIKSA-N 1 0 407.919 3.096 40 0 HGABRO Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)C[N@@H+](CCc1ccccc1)C2 ZINC000257206585 568778118 /nfs/dbraw/zinc/77/81/18/568778118.db2.gz BECOIEVKJZUBDI-QFIPXVFZSA-N 1 0 406.505 3.060 40 0 HGABRO Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccccc2OCC[NH+](C)C)n1 ZINC000257249157 568790107 /nfs/dbraw/zinc/79/01/07/568790107.db2.gz JHAKNGWPGAMZAV-OAQYLSRUSA-N 1 0 419.529 3.493 40 0 HGABRO Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@H+](C)[C@H]3Cc2ccccc2)nc(N)n1 ZINC000257250690 568790475 /nfs/dbraw/zinc/79/04/75/568790475.db2.gz JNOCMPQXDGNCOP-NABGWTBKSA-N 1 0 405.546 3.066 40 0 HGABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@H](Cc2ccc3nccn3c2)C1 ZINC000257275025 568797148 /nfs/dbraw/zinc/79/71/48/568797148.db2.gz NNQWZXUQZULSPF-OAQYLSRUSA-N 1 0 418.541 3.261 40 0 HGABRO Cc1cc(OC[C@H](O)C[NH2+]C[C@H](O)COc2ccc(Cl)c(C)c2)ccc1Cl ZINC000002685830 568800845 /nfs/dbraw/zinc/80/08/45/568800845.db2.gz BTNURVOOMFXKRL-IYBDPMFKSA-N 1 0 414.329 3.379 40 0 HGABRO CS(=O)(=O)N1CCC([N@@H+]2CCC[C@@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257303255 568805510 /nfs/dbraw/zinc/80/55/10/568805510.db2.gz SGJZJLPYZCZOOF-QGZVFWFLSA-N 1 0 421.538 3.008 40 0 HGABRO Cc1ncc(-c2cncc(C[C@@H]3CCCN(C(=O)c4ccc5[nH]cnc5c4)C3)n2)n1C ZINC000257312744 568807858 /nfs/dbraw/zinc/80/78/58/568807858.db2.gz UPIYREZAXTYAHY-INIZCTEOSA-N 1 0 415.501 3.157 40 0 HGABRO CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN(C)Cc1ccccc1F ZINC000257312396 568807872 /nfs/dbraw/zinc/80/78/72/568807872.db2.gz UNTKKFACPXVDSK-DEXHYYOUSA-N 1 0 401.526 3.038 40 0 HGABRO O=C(CCC[NH+]1CCCCCC1)N1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257335159 568814549 /nfs/dbraw/zinc/81/45/49/568814549.db2.gz YIXVKYDQQGRCAN-FQEVSTJZSA-N 1 0 424.549 3.171 40 0 HGABRO COc1ccc(OC)c(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCCC[C@@H]35)[NH2+]4)[nH]n2)c1 ZINC000257337467 568815159 /nfs/dbraw/zinc/81/51/59/568815159.db2.gz YSWUNWINTUTVFP-XWFPCGQCSA-N 1 0 410.518 3.229 40 0 HGABRO COc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)c1 ZINC000306126196 568888785 /nfs/dbraw/zinc/88/87/85/568888785.db2.gz DPESYCFYQLYJHI-SFTDATJTSA-N 1 0 408.527 3.343 40 0 HGABRO Cc1cc(C)cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306128934 568891646 /nfs/dbraw/zinc/89/16/46/568891646.db2.gz HORGDPWUYAHXHE-PMACEKPBSA-N 1 0 401.514 3.452 40 0 HGABRO Cc1cccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)n1 ZINC000306136943 568898848 /nfs/dbraw/zinc/89/88/48/568898848.db2.gz QHECZGXJEKIDMM-QPPBQGQZSA-N 1 0 407.562 3.396 40 0 HGABRO Cn1c(C(=O)NC[C@H]2CC3(CC[NH+](CCC(F)(F)F)CC3)O2)cc2ccccc21 ZINC000306138719 568900684 /nfs/dbraw/zinc/90/06/84/568900684.db2.gz SFPJHMTVCUODIP-MRXNPFEDSA-N 1 0 409.452 3.484 40 0 HGABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306143048 568904791 /nfs/dbraw/zinc/90/47/91/568904791.db2.gz XRTUHKRTKKHDMO-DLBZAZTESA-N 1 0 407.905 3.488 40 0 HGABRO CCOC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000242592419 568967864 /nfs/dbraw/zinc/96/78/64/568967864.db2.gz OTWBSRSMBMOJHH-GUDVDZBRSA-N 1 0 424.360 3.370 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000329047713 568974606 /nfs/dbraw/zinc/97/46/06/568974606.db2.gz UGPRIZXBJVVZFF-UHFFFAOYSA-N 1 0 402.424 3.118 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000329070539 568975912 /nfs/dbraw/zinc/97/59/12/568975912.db2.gz ZHMRRXCKAUWPMX-UHFFFAOYSA-N 1 0 402.424 3.118 40 0 HGABRO CCC[C@]1(C(=O)OCC)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245230594 569313898 /nfs/dbraw/zinc/31/38/98/569313898.db2.gz VBMTZEQWPXOMBR-AYMMHLMVSA-N 1 0 412.511 3.300 40 0 HGABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000247935415 569315857 /nfs/dbraw/zinc/31/58/57/569315857.db2.gz LFWQSCDXWXCRGA-ZCYQVOJMSA-N 1 0 424.541 3.011 40 0 HGABRO CC(=O)N[C@@H]1c2ccccc2CC[C@]12C[N@@H+](Cc1ccccc1)C[C@H]2C(=O)NC(C)C ZINC000247960587 569315876 /nfs/dbraw/zinc/31/58/76/569315876.db2.gz VJMXMHSFPSMDPT-BFLUCZKCSA-N 1 0 419.569 3.453 40 0 HGABRO CC(=O)N[C@@H]1c2ccccc2CC[C@@]12C[N@@H+](Cc1ccccc1)C[C@H]2C(=O)NC(C)C ZINC000247960595 569315953 /nfs/dbraw/zinc/31/59/53/569315953.db2.gz VJMXMHSFPSMDPT-GSLIJJQTSA-N 1 0 419.569 3.453 40 0 HGABRO Cc1cccc(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2C[NH+](C)C)c1 ZINC000248102754 569316188 /nfs/dbraw/zinc/31/61/88/569316188.db2.gz IBKPXISGUJYBEX-BJKOFHAPSA-N 1 0 421.585 3.353 40 0 HGABRO COc1ccc2c(c1)C(=O)N[C@]1(CC[N@@H+]([C@H](C)Cc3ccc(OC)c(OC)c3)C1)CC2 ZINC000248197042 569316698 /nfs/dbraw/zinc/31/66/98/569316698.db2.gz QTGUMDXHONAXJW-NSYGIPOTSA-N 1 0 424.541 3.464 40 0 HGABRO Cc1cc(C(=O)NCCC[NH+]2CCCCC2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010112050 569342838 /nfs/dbraw/zinc/34/28/38/569342838.db2.gz WWRKWIUKZCRMDB-UHFFFAOYSA-N 1 0 415.559 3.402 40 0 HGABRO CCOc1cc2c(cc1C[N@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1nccn1C)O[C@@H](C)C2 ZINC000019532414 569345656 /nfs/dbraw/zinc/34/56/56/569345656.db2.gz LVTZFZLXQGDXST-REXDCOFWSA-N 1 0 411.546 3.262 40 0 HGABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2C[N@H+](CC3CCCCC3)CCO2)n1 ZINC000019692779 569346170 /nfs/dbraw/zinc/34/61/70/569346170.db2.gz HXICYYGRDNGUGS-OAQYLSRUSA-N 1 0 423.561 3.262 40 0 HGABRO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC000019702528 569347388 /nfs/dbraw/zinc/34/73/88/569347388.db2.gz MQLJHUFSQSZEJQ-AWEZNQCLSA-N 1 0 416.572 3.427 40 0 HGABRO CNc1cc(CN(C)C(=O)c2c(C)onc2-c2ccc(C)cc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760765 569348883 /nfs/dbraw/zinc/34/88/83/569348883.db2.gz JZKAPTUUOPWIPF-GOSISDBHSA-N 1 0 420.517 3.487 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccn2)n1 ZINC000329028457 571304565 /nfs/dbraw/zinc/30/45/65/571304565.db2.gz PUVVBSUBNKFAAR-UHFFFAOYSA-N 1 0 400.433 3.857 40 0 HGABRO Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCC[NH3+])NC(=O)OC(C)(C)C)ccc12 ZINC000224537178 571313453 /nfs/dbraw/zinc/31/34/53/571313453.db2.gz BDIWFURAJXIIAA-MRXNPFEDSA-N 1 0 403.479 3.062 40 0 HGABRO C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccco2)C1 ZINC000004237216 291235081 /nfs/dbraw/zinc/23/50/81/291235081.db2.gz QRJNAJVMNHPQNL-PKOBYXMFSA-N 1 0 417.509 3.429 40 0 biogenic,in-vitro HGABRO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)N(C2CC[NH+](C)CC2)C3)cc1 ZINC000096111883 291239848 /nfs/dbraw/zinc/23/98/48/291239848.db2.gz MRPSMBGLWKHNPA-GMAHTHKFSA-N 1 0 421.541 3.158 40 0 biogenic,in-vitro HGABRO O=C(NCc1ccc(F)cc1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298752 291243452 /nfs/dbraw/zinc/24/34/52/291243452.db2.gz SNGPEIJZWGGCBQ-NNWRFLSQSA-N 1 0 419.504 3.111 40 0 biogenic,in-vitro HGABRO Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CC[NH+](CCCc2ccccc2)CC1 ZINC000012143387 132354894 /nfs/dbraw/zinc/35/48/94/132354894.db2.gz PNYCRMJRMLGCGU-QHCPKHFHSA-N 1 0 408.521 3.396 40 0 HGABRO COc1cc(CNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000044917608 522408393 /nfs/dbraw/zinc/40/83/93/522408393.db2.gz YDXOGENVTHPKOX-UHFFFAOYSA-N 1 0 416.493 3.380 40 0 HGABRO CCc1nn2c(nnc3c2ccn(CCC[NH+](C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395885 522713154 /nfs/dbraw/zinc/71/31/54/522713154.db2.gz QJNYXBUOFCAPQL-UHFFFAOYSA-N 1 0 410.909 3.274 40 0 HGABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000408625626 557557911 /nfs/dbraw/zinc/55/79/11/557557911.db2.gz FCLDFTKOQGGFFZ-UHFFFAOYSA-N 1 0 402.951 3.148 40 0 HGABRO Fc1ccccc1[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](C2CCCCC2)CC1 ZINC000035291467 557678742 /nfs/dbraw/zinc/67/87/42/557678742.db2.gz HWSXXKXNLPWJOI-JOCHJYFZSA-N 1 0 424.524 3.493 40 0 HGABRO Cc1nc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 ZINC000019743898 558264511 /nfs/dbraw/zinc/26/45/11/558264511.db2.gz JNOAGOXEXPKRTP-GOSISDBHSA-N 1 0 424.520 3.372 40 0 HGABRO Cc1ccc(-n2cc(C[NH+]3CCC(Cc4nn(C)cc4C(=O)N(C)C)CC3)cn2)cc1 ZINC000019756689 558274566 /nfs/dbraw/zinc/27/45/66/558274566.db2.gz HZXLCXDDULRIEI-UHFFFAOYSA-N 1 0 420.561 3.071 40 0 HGABRO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCC[C@H](c2nc3ccccc3c(=O)[nH]2)C1 ZINC000012145140 558336271 /nfs/dbraw/zinc/33/62/71/558336271.db2.gz BQLWHPMDVOXHGU-INIZCTEOSA-N 1 0 406.486 3.132 40 0 HGABRO C[C@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 ZINC000012182150 558343167 /nfs/dbraw/zinc/34/31/67/558343167.db2.gz TWMURSCRWCSUNG-RXVVDRJESA-N 1 0 418.545 3.364 40 0 HGABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCOC[C@@H]3CCCO3)cc12 ZINC000012186392 558345498 /nfs/dbraw/zinc/34/54/98/558345498.db2.gz UCUXFJOTAYCLKG-IBGZPJMESA-N 1 0 424.545 3.297 40 0 HGABRO CCCn1nc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCCC2)c2ccccc2c1=O ZINC000012238147 558358966 /nfs/dbraw/zinc/35/89/66/558358966.db2.gz BVOOQAGUBMAHTK-LJQANCHMSA-N 1 0 410.562 3.216 40 0 HGABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000012329339 558383976 /nfs/dbraw/zinc/38/39/76/558383976.db2.gz ZUOGIJIWJSTVCM-VQTJNVASSA-N 1 0 411.498 3.150 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000020636724 558396226 /nfs/dbraw/zinc/39/62/26/558396226.db2.gz BTTVJVNEYUYKJL-OALUTQOASA-N 1 0 411.889 3.105 40 0 HGABRO CCc1c(COC)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O ZINC000022448412 558490020 /nfs/dbraw/zinc/49/00/20/558490020.db2.gz PDGGNAWAWHQGDC-UHFFFAOYSA-N 1 0 418.541 3.390 40 0 HGABRO COc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000039745550 558686819 /nfs/dbraw/zinc/68/68/19/558686819.db2.gz PLVONHJTHMFKPM-UHFFFAOYSA-N 1 0 411.521 3.395 40 0 HGABRO NC(=O)COc1c(Br)cc(C[NH2+]C2CCCCC2)cc1Br ZINC000036612926 558728001 /nfs/dbraw/zinc/72/80/01/558728001.db2.gz NWYAWCLWZQEWMR-UHFFFAOYSA-N 1 0 420.145 3.498 40 0 HGABRO C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000035313662 558789746 /nfs/dbraw/zinc/78/97/46/558789746.db2.gz YGDBYGJITSLPBV-HDICACEKSA-N 1 0 407.580 3.453 40 0 HGABRO Cc1ccc2c(c1)C(=O)N(CC(=O)N1[C@H](C)CCC[C@@H]1C)CC1(CC[NH+](C)CC1)O2 ZINC000019218469 558851218 /nfs/dbraw/zinc/85/12/18/558851218.db2.gz SHTBAZSEAGKXML-KDURUIRLSA-N 1 0 413.562 3.084 40 0 HGABRO Cc1cccnc1-n1cccc1C[N@H+](CCCN1CCOCC1)Cc1cccnc1 ZINC000019237891 558856930 /nfs/dbraw/zinc/85/69/30/558856930.db2.gz KWVALBRVCBRGLE-UHFFFAOYSA-N 1 0 405.546 3.300 40 0 HGABRO Cc1nc2cc(C)ccn2c1C[N@@H+]1C[C@@H](c2cccnc2)[C@]2(C1)CCCCC(=O)N2 ZINC000019238151 558857158 /nfs/dbraw/zinc/85/71/58/558857158.db2.gz HICKTCRAJLJVKG-GBXCKJPGSA-N 1 0 403.530 3.375 40 0 HGABRO Cn1ccnc1[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000019291298 558863852 /nfs/dbraw/zinc/86/38/52/558863852.db2.gz ATHZOPWLUAKWTM-PKTZIBPZSA-N 1 0 421.589 3.061 40 0 HGABRO CC[NH+](CC)CCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000068605609 558863924 /nfs/dbraw/zinc/86/39/24/558863924.db2.gz DQKGZWZRSRXBLN-HXUWFJFHSA-N 1 0 416.566 3.452 40 0 HGABRO O=C1CCC[C@]2(C[N@H+](Cc3cccc(Oc4ncccn4)c3)C[C@H]2c2ccncc2)N1 ZINC000019331025 558868248 /nfs/dbraw/zinc/86/82/48/558868248.db2.gz FOZCHLCVMURYEW-XUZZJYLKSA-N 1 0 415.497 3.302 40 0 HGABRO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000019334475 558869415 /nfs/dbraw/zinc/86/94/15/558869415.db2.gz AJBYQTIWVLNOSG-UHFFFAOYSA-N 1 0 416.403 3.331 40 0 HGABRO O=c1ccc(-c2ccc(F)c(F)c2)nn1CC1(O)CC[NH+](Cc2cccs2)CC1 ZINC000019343398 558872566 /nfs/dbraw/zinc/87/25/66/558872566.db2.gz HQDMGQCGQGJDFU-UHFFFAOYSA-N 1 0 417.481 3.277 40 0 HGABRO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000019371990 558879624 /nfs/dbraw/zinc/87/96/24/558879624.db2.gz YNIOUQMUZSAWHY-QFIPXVFZSA-N 1 0 418.545 3.270 40 0 HGABRO O=C(NCC1CCOCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372551 558879785 /nfs/dbraw/zinc/87/97/85/558879785.db2.gz LVOHTHWVKFXQRB-DHIUTWEWSA-N 1 0 424.516 3.299 40 0 HGABRO C[C@H]1CC(=O)N(c2cccc(C(=O)N3CCCC[C@@H]3C[NH+]3CCCCCC3)c2)C1=O ZINC000019462364 558893945 /nfs/dbraw/zinc/89/39/45/558893945.db2.gz JAHWVVIIDSJTOM-GHTZIAJQSA-N 1 0 411.546 3.457 40 0 HGABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(OC)c1 ZINC000019552272 558915847 /nfs/dbraw/zinc/91/58/47/558915847.db2.gz BQIGBAVPBIFVPF-RRQGHBQHSA-N 1 0 407.465 3.198 40 0 HGABRO COc1ccc(CC(=O)N2C[C@@H]3CCCC[N@H+](Cc4cccnc4)[C@@H]3C2)cc1OC ZINC000019560563 558921607 /nfs/dbraw/zinc/92/16/07/558921607.db2.gz PYKTVKKFQOFWAH-LEWJYISDSA-N 1 0 409.530 3.154 40 0 HGABRO Cc1nc(-c2cccnc2)sc1C(=O)N(CC[NH+](C)C)Cc1ccc2c(c1)OCO2 ZINC000019561060 558921975 /nfs/dbraw/zinc/92/19/75/558921975.db2.gz YQDJIYWWCZKTDM-UHFFFAOYSA-N 1 0 424.526 3.446 40 0 HGABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2NC(=O)c2cccnc2)cc1OC ZINC000019561454 558922217 /nfs/dbraw/zinc/92/22/17/558922217.db2.gz QYKGLFGXTAEHLU-YADHBBJMSA-N 1 0 417.509 3.497 40 0 HGABRO COc1ccc(C[NH+]2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)cc1 ZINC000019584754 558938840 /nfs/dbraw/zinc/93/88/40/558938840.db2.gz GAVTZTCUUJJHDJ-UHFFFAOYSA-N 1 0 404.518 3.388 40 0 HGABRO CC(=O)Nc1ccc([C@H](O)C[N@H+]2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 ZINC000072342780 558940690 /nfs/dbraw/zinc/94/06/90/558940690.db2.gz WEVJDQVWBUVYIA-JOCHJYFZSA-N 1 0 405.502 3.127 40 0 HGABRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](C)n3nc4ccccc4n3)CC2)cc1 ZINC000072347502 558944460 /nfs/dbraw/zinc/94/44/60/558944460.db2.gz VFGWNKGVGHRDNC-QGZVFWFLSA-N 1 0 407.518 3.029 40 0 HGABRO COc1ccc(C[N@H+](Cc2cc3c(cc2C)n(C)c(=O)n3C)C2CCN(C)CC2)cc1 ZINC000019662988 558954000 /nfs/dbraw/zinc/95/40/00/558954000.db2.gz DWSDMSBZBHJXAA-UHFFFAOYSA-N 1 0 422.573 3.290 40 0 HGABRO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 ZINC000072373100 558960913 /nfs/dbraw/zinc/96/09/13/558960913.db2.gz CYTBWQLIRQCWPO-CTNGQTDRSA-N 1 0 422.573 3.021 40 0 HGABRO Cc1cc(Nc2ncccc2C)cc([C@H]2CCC[N@H+](CCC(=O)N3CCOCC3)C2)n1 ZINC000072374864 558963035 /nfs/dbraw/zinc/96/30/35/558963035.db2.gz XVGBFDDQVYPTIF-FQEVSTJZSA-N 1 0 423.561 3.265 40 0 HGABRO C[C@@H](Nc1ncc(C(=O)N2CCCC2)c(CC[NH2+]C2CCOCC2)n1)c1ccccc1 ZINC000019697260 558964959 /nfs/dbraw/zinc/96/49/59/558964959.db2.gz XVFNOMDTVPAMFV-GOSISDBHSA-N 1 0 423.561 3.197 40 0 HGABRO CCn1c(C)nc2cc(NC(=O)[C@H](C)C[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000019717664 558980535 /nfs/dbraw/zinc/98/05/35/558980535.db2.gz HDZSYJZYSNUAJD-QGZVFWFLSA-N 1 0 406.534 3.156 40 0 HGABRO Cc1cc(C[N@@H+]2CCC[C@@]3(CCCN3C(=O)COc3ccccc3C)CC2)n(C)n1 ZINC000585100113 559023817 /nfs/dbraw/zinc/02/38/17/559023817.db2.gz FVJDDEWACKOBFN-XMMPIXPASA-N 1 0 410.562 3.463 40 0 HGABRO C[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)Cc2ccc(N(C)C)cc2)CC3)C1 ZINC000585104475 559026989 /nfs/dbraw/zinc/02/69/89/559026989.db2.gz OZZNCBPKNORVDN-NZQKXSOJSA-N 1 0 413.606 3.425 40 0 HGABRO COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](C[N@@H+]3C[C@H](C)c3ccccc3)C2)c1 ZINC000585107932 559029689 /nfs/dbraw/zinc/02/96/89/559029689.db2.gz GQDSFXBAETZEBS-LQBOVUBWSA-N 1 0 400.544 3.194 40 0 HGABRO CCCN1CCN(C(=O)CC[NH3+])C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183648 559070393 /nfs/dbraw/zinc/07/03/93/559070393.db2.gz YWNWDCFXDPUFAV-HXUWFJFHSA-N 1 0 411.521 3.081 40 0 HGABRO CCCS(=O)(=O)N1Cc2ccccc2C2(CC[NH+](Cc3cccc(C)n3)CC2)C1 ZINC000096079615 559094771 /nfs/dbraw/zinc/09/47/71/559094771.db2.gz VNEXUYPLEOVASX-UHFFFAOYSA-N 1 0 413.587 3.479 40 0 HGABRO CC(C)C[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 ZINC000096145882 559097662 /nfs/dbraw/zinc/09/76/62/559097662.db2.gz MZCOROQTPATZPT-PMACEKPBSA-N 1 0 415.559 3.154 40 0 HGABRO COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@H]([NH3+])C(C)C)CC[C@@H]3O[C@H]21 ZINC000585261629 559108982 /nfs/dbraw/zinc/10/89/82/559108982.db2.gz GTMTVRUSDCHBBM-AYBQMASMSA-N 1 0 402.535 3.144 40 0 HGABRO CCOCCOc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2OCC)cc1 ZINC000585269790 559116153 /nfs/dbraw/zinc/11/61/53/559116153.db2.gz JMLQAHPVHMBPIH-FQEVSTJZSA-N 1 0 403.519 3.372 40 0 HGABRO Cc1nc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)nc(C)n2)sc1C ZINC000585292977 559125453 /nfs/dbraw/zinc/12/54/53/559125453.db2.gz VFBYWAOFRNUGPF-UGAXZCSASA-N 1 0 414.579 3.426 40 0 HGABRO [NH3+][C@@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cncnc3)n2)CC1)c1ccccc1 ZINC000100708800 559138181 /nfs/dbraw/zinc/13/81/81/559138181.db2.gz DDQOCAOLNDFPTE-LLGFUMIMSA-N 1 0 417.517 3.100 40 0 HGABRO C[C@@H]1CC(=O)N(c2cccc(C(=O)N3CCCC[C@@H]3C[NH+]3CCCCCC3)c2)C1=O ZINC000100731263 559138706 /nfs/dbraw/zinc/13/87/06/559138706.db2.gz JAHWVVIIDSJTOM-WIYYLYMNSA-N 1 0 411.546 3.457 40 0 HGABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(I)c2)C1 ZINC000107681318 559165750 /nfs/dbraw/zinc/16/57/50/559165750.db2.gz SNZAIHDSIFDCCD-KBPBESRZSA-N 1 0 400.304 3.389 40 0 HGABRO C[NH+]1CCC(N2CCOC[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)c[nH]2)CC1 ZINC000072321973 560076416 /nfs/dbraw/zinc/07/64/16/560076416.db2.gz YVTMUKMGCVUPLP-SFHVURJKSA-N 1 0 410.440 3.443 40 0 biogenic,in-vitro HGABRO CC(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000005001941 560620351 /nfs/dbraw/zinc/62/03/51/560620351.db2.gz UONQEGHCWCIJPA-UHFFFAOYSA-N 1 0 407.580 3.216 40 0 HGABRO Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 ZINC000409052396 560669538 /nfs/dbraw/zinc/66/95/38/560669538.db2.gz DOUKIGIQNHZFPB-DCFWFYTKSA-O 1 0 402.449 3.150 40 0 HGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@H]1c1ccccc1 ZINC000409055518 560671557 /nfs/dbraw/zinc/67/15/57/560671557.db2.gz CIUAMOWWHMPKBR-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409055337 560671563 /nfs/dbraw/zinc/67/15/63/560671563.db2.gz DVIADEMLQWEBPA-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409061009 560672814 /nfs/dbraw/zinc/67/28/14/560672814.db2.gz BJKVTOLIPYXWHE-WFZBXURCSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000409072748 560673464 /nfs/dbraw/zinc/67/34/64/560673464.db2.gz SHFZIPDYQJCLRN-AYHYUOJHSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Br ZINC000006287887 560740984 /nfs/dbraw/zinc/74/09/84/560740984.db2.gz RACMHCSGKBRHFK-UHFFFAOYSA-N 1 0 404.308 3.462 40 0 HGABRO CC(C)(C)CC[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382125 568489401 /nfs/dbraw/zinc/48/94/01/568489401.db2.gz GHVJOAZIMYNKQR-VURPSTOHSA-N 1 0 401.526 3.209 40 0 biogenic,in-vitro HGABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000223218698 568541370 /nfs/dbraw/zinc/54/13/70/568541370.db2.gz SXXBELILSLTARD-YADHBBJMSA-N 1 0 420.586 3.251 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 ZINC000223240468 568542262 /nfs/dbraw/zinc/54/22/62/568542262.db2.gz UIMDSFULHUEBFI-VXKWHMMOSA-N 1 0 420.586 3.251 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000223240662 568542340 /nfs/dbraw/zinc/54/23/40/568542340.db2.gz UIMDSFULHUEBFI-FGZHOGPDSA-N 1 0 420.586 3.251 40 0 HGABRO Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)nc1 ZINC000223257213 568542863 /nfs/dbraw/zinc/54/28/63/568542863.db2.gz VSOVMBPFTUPYMW-NHCUHLMSSA-N 1 0 406.559 3.110 40 0 HGABRO COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223259444 568542964 /nfs/dbraw/zinc/54/29/64/568542964.db2.gz OWLCDXYZENVUOK-FGZHOGPDSA-N 1 0 421.570 3.415 40 0 HGABRO Cc1cc(C(=O)NCCC[NH+]2CCCC2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224197717 568573342 /nfs/dbraw/zinc/57/33/42/568573342.db2.gz FCJNIAQFJHMMAQ-UHFFFAOYSA-N 1 0 415.559 3.036 40 0 HGABRO Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1N1CCCCS1(=O)=O ZINC000224400431 568580277 /nfs/dbraw/zinc/58/02/77/568580277.db2.gz BUUPZTQAUZDDOH-QZTJIDSGSA-N 1 0 421.607 3.023 40 0 HGABRO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1C[C@H]1CCCO1 ZINC000260925527 568744394 /nfs/dbraw/zinc/74/43/94/568744394.db2.gz VAWSLDHIIGMQII-UIFIKXQLSA-N 1 0 405.527 3.419 40 0 HGABRO COCC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)c(F)c1)C[N@@H+]2Cc1ccccc1 ZINC000257278204 568797939 /nfs/dbraw/zinc/79/79/39/568797939.db2.gz OBGOSSHQIDIBAO-IPJJNNNSSA-N 1 0 400.469 3.428 40 0 HGABRO COc1cccc(OC)c1C[NH+]1CCC(c2cncc(Nc3ncccn3)n2)CC1 ZINC000257284847 568799965 /nfs/dbraw/zinc/79/99/65/568799965.db2.gz PENWMFAPSIFFJD-UHFFFAOYSA-N 1 0 406.490 3.407 40 0 HGABRO c1cn2nc(C[C@@H]3COCC[N@H+](Cc4cccc(Oc5ncccn5)c4)C3)ccc2n1 ZINC000257306236 568806333 /nfs/dbraw/zinc/80/63/33/568806333.db2.gz STJZQBFYBHBEMF-IBGZPJMESA-N 1 0 416.485 3.003 40 0 HGABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(CC(=O)N4CCCC4=O)C3)c2)c1 ZINC000257305683 568806366 /nfs/dbraw/zinc/80/63/66/568806366.db2.gz SRAKYJMOUAZRQF-SFHVURJKSA-N 1 0 422.529 3.471 40 0 HGABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)cc1 ZINC000257306253 568806370 /nfs/dbraw/zinc/80/63/70/568806370.db2.gz STLVSHDLVFKOOI-MRXNPFEDSA-N 1 0 404.536 3.128 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218587620 568882548 /nfs/dbraw/zinc/88/25/48/568882548.db2.gz OMBKGVQRHQKMII-BJLQDIEVSA-N 1 0 407.919 3.096 40 0 HGABRO Cc1nc(CN2CC[C@@]3(C[N@@H+](CC4CC4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306124838 568887656 /nfs/dbraw/zinc/88/76/56/568887656.db2.gz CARBMIHRZCCRHW-UGKGYDQZSA-N 1 0 413.591 3.457 40 0 HGABRO COCCN1CC[C@]2(C[N@H+](Cc3ccc(C)s3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128038 568890631 /nfs/dbraw/zinc/89/06/31/568890631.db2.gz GOMYVPNLMNMZHY-DENIHFKCSA-N 1 0 416.591 3.298 40 0 HGABRO CC(C)C[NH+]1CCC2(CCCN(C(=O)c3ccsc3)[C@H]2CNC(=O)N(C)C)CC1 ZINC000306129935 568892343 /nfs/dbraw/zinc/89/23/43/568892343.db2.gz IRDZWHBLACUMEQ-IBGZPJMESA-N 1 0 420.623 3.362 40 0 HGABRO Cc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)s1 ZINC000306131015 568893292 /nfs/dbraw/zinc/89/32/92/568893292.db2.gz JUUVTNYBSFMMCM-LSDHHAIUSA-N 1 0 411.506 3.344 40 0 HGABRO Cn1cc(C[NH2+]C[C@@H]2CC[C@@H]3CN(C(=O)c4ccccc4)c4ccccc4CN32)cn1 ZINC000306135232 568897186 /nfs/dbraw/zinc/89/71/86/568897186.db2.gz OLJKWZVTIQXYAM-XZOQPEGZSA-N 1 0 415.541 3.203 40 0 HGABRO COC(=O)N1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000306135535 568897444 /nfs/dbraw/zinc/89/74/44/568897444.db2.gz OUEXKMIXZMPZTQ-UHFFFAOYSA-N 1 0 413.503 3.173 40 0 HGABRO CC[NH+](CC)CCCNC(=O)c1nc(-c2ccnn2-c2ccccc2)n2ccncc12 ZINC000306136158 568897944 /nfs/dbraw/zinc/89/79/44/568897944.db2.gz PLBILYSFFVFDPY-UHFFFAOYSA-N 1 0 417.517 3.044 40 0 HGABRO COc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccnc4OC)C2)OC3)c1 ZINC000306136307 568898191 /nfs/dbraw/zinc/89/81/91/568898191.db2.gz PPPRIIICPPMSEW-HSZRJFAPSA-N 1 0 406.486 3.137 40 0 HGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccoc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306139497 568901380 /nfs/dbraw/zinc/90/13/80/568901380.db2.gz SYUOOOSTIYWNKI-QPPBQGQZSA-N 1 0 419.529 3.470 40 0 HGABRO Cc1ccsc1C[NH+]1CCC2(CC1)CN(C)C[C@@H](C(=O)NCc1cccs1)O2 ZINC000306144668 568906040 /nfs/dbraw/zinc/90/60/40/568906040.db2.gz ZLQCLSNNLGUNKE-SFHVURJKSA-N 1 0 419.616 3.100 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000329019914 568973127 /nfs/dbraw/zinc/97/31/27/568973127.db2.gz NZMGLWLXVJPZPC-UHFFFAOYSA-N 1 0 400.889 3.282 40 0 HGABRO O=C(COc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199159 569059056 /nfs/dbraw/zinc/05/90/56/569059056.db2.gz VBSIUGOTPKTTKF-UOUMEPNKSA-N 1 0 410.514 3.216 40 0 HGABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2N)CC1 ZINC000226263315 569278903 /nfs/dbraw/zinc/27/89/03/569278903.db2.gz MTAPFUZAQADQSE-UHFFFAOYSA-N 1 0 403.324 3.426 40 0 HGABRO C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCC(C)CC2)CC3)C1 ZINC000248106443 569316211 /nfs/dbraw/zinc/31/62/11/569316211.db2.gz LRJJRJGCDCTXNE-BPJBSSMVSA-N 1 0 412.578 3.481 40 0 HGABRO C[N@@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(C(=O)c2ccncc2)CC1 ZINC000248145502 569316526 /nfs/dbraw/zinc/31/65/26/569316526.db2.gz RRGQNNGSPXJTOA-RXVVDRJESA-N 1 0 410.493 3.032 40 0 HGABRO Cn1c2ccc(NC(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)cc2n(C)c1=O ZINC000009063353 569342484 /nfs/dbraw/zinc/34/24/84/569342484.db2.gz LTNCIOUSYIHFKE-UHFFFAOYSA-N 1 0 412.921 3.381 40 0 HGABRO COC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc(C(=O)OC)c1 ZINC000010330170 569343817 /nfs/dbraw/zinc/34/38/17/569343817.db2.gz ZJOZLWRJSZBZCJ-UHFFFAOYSA-N 1 0 410.470 3.498 40 0 HGABRO Cc1nc(C2CC[NH+](C3CCOCC3)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019763897 569348970 /nfs/dbraw/zinc/34/89/70/569348970.db2.gz QOBQOJZGWWBIIK-UHFFFAOYSA-N 1 0 412.509 3.213 40 0 HGABRO COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000033778157 569351328 /nfs/dbraw/zinc/35/13/28/569351328.db2.gz XCPQQNWRDFRROJ-UHFFFAOYSA-N 1 0 418.950 3.227 40 0 HGABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(C(=O)CCCc1ccc(F)c(C)c1)C2 ZINC000019707103 569428679 /nfs/dbraw/zinc/42/86/79/569428679.db2.gz HILIJDBJUFKKOM-IBGZPJMESA-N 1 0 411.525 3.298 40 0 HGABRO CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@@H]4CC[N@@H+]3C[C@@H]4C(=O)NC3CC3)nn2)cc1 ZINC000008299314 291232582 /nfs/dbraw/zinc/23/25/82/291232582.db2.gz JWMPKVTVDWZPQJ-WMQCIHAUSA-N 1 0 407.562 3.232 40 0 biogenic,in-vitro HGABRO COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4C[NH2+]Cc3ccccn3)n(C)n2)cc1 ZINC000035415785 291239149 /nfs/dbraw/zinc/23/91/49/291239149.db2.gz WCHARQISNPPODC-WPYKKVEZSA-N 1 0 417.557 3.458 40 0 biogenic,in-vitro HGABRO Cn1c2ccc(C[N@H+](CCCn3ccnc3)Cc3ccccc3F)cc2n(C)c1=O ZINC000043277859 527099545 /nfs/dbraw/zinc/09/95/45/527099545.db2.gz MKAHTMMNRQFQLI-UHFFFAOYSA-N 1 0 407.493 3.305 40 0 HGABRO O=c1[nH]c2cc(S(=O)(=O)NC[C@@H](c3ccccc3)[NH+]3CCCCC3)ccc2o1 ZINC000019662926 527222384 /nfs/dbraw/zinc/22/23/84/527222384.db2.gz XUOZFUUZYOQFAP-SFHVURJKSA-N 1 0 401.488 3.039 40 0 HGABRO O[C@@H](C[N@@H+]1CCC[C@](O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000036719509 527648285 /nfs/dbraw/zinc/64/82/85/527648285.db2.gz FXGUBIVSHDAYFI-NZQKXSOJSA-N 1 0 401.478 3.394 40 0 HGABRO FC(F)(F)Oc1cccc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CC3)n2)c1 ZINC000329008110 527675709 /nfs/dbraw/zinc/67/57/09/527675709.db2.gz LPHQSBKTZDHTHR-UHFFFAOYSA-N 1 0 421.467 3.262 40 0 HGABRO Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000408549879 557396873 /nfs/dbraw/zinc/39/68/73/557396873.db2.gz ATBJIJQGHGQJHQ-LDADJPATSA-N 1 0 410.499 3.148 40 0 HGABRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nnn(CC(=O)NCc3ccc(F)cc3)n2)cc1 ZINC000035290074 557674155 /nfs/dbraw/zinc/67/41/55/557674155.db2.gz IHROPXHBNVHJGQ-QGZVFWFLSA-N 1 0 422.508 3.170 40 0 HGABRO COc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCc1ccccc1F ZINC000007541465 557746320 /nfs/dbraw/zinc/74/63/20/557746320.db2.gz ZJWLJUSHZYRDIT-UHFFFAOYSA-N 1 0 417.510 3.209 40 0 HGABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3ccc4c(C)nn(C)c4n3)C1)OCCO2 ZINC000019742506 558262957 /nfs/dbraw/zinc/26/29/57/558262957.db2.gz GJCBPPIJSHTOMO-INIZCTEOSA-N 1 0 408.502 3.436 40 0 HGABRO Cc1cc(C)nc(N2CCC(CC(=O)N[C@H](C)CC[NH+]3CCCCCC3)CC2)n1 ZINC000019748261 558267704 /nfs/dbraw/zinc/26/77/04/558267704.db2.gz SLMSQILOXJVNNP-GOSISDBHSA-N 1 0 401.599 3.471 40 0 HGABRO CC1CC[NH+](CC(=O)N2CCC[C@@H](N(C)C(=O)c3nccc4ccccc43)CC2)CC1 ZINC000019749771 558269489 /nfs/dbraw/zinc/26/94/89/558269489.db2.gz FYANTWYEBJXMQB-OAQYLSRUSA-N 1 0 422.573 3.420 40 0 HGABRO CCn1cc(C[NH+]2CCC(Cc3nn(C)cc3C(=O)Nc3ccc(F)cc3)CC2)cn1 ZINC000019758550 558275053 /nfs/dbraw/zinc/27/50/53/558275053.db2.gz FJUGCVFHXNFTDS-UHFFFAOYSA-N 1 0 424.524 3.483 40 0 HGABRO Cc1nc(C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019765860 558278245 /nfs/dbraw/zinc/27/82/45/558278245.db2.gz GYWTXARFXUOGBZ-UHFFFAOYSA-N 1 0 421.545 3.085 40 0 HGABRO CCOC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000012156690 558340471 /nfs/dbraw/zinc/34/04/71/558340471.db2.gz BDJJGWUCPMHXPT-XLIONFOSSA-N 1 0 418.509 3.391 40 0 HGABRO C[C@H]1C[C@H](C)C[NH+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182725 558343643 /nfs/dbraw/zinc/34/36/43/558343643.db2.gz XUWNGOZYVZDLIU-STEAMIEHSA-N 1 0 402.539 3.365 40 0 HGABRO COc1cccc(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)c1 ZINC000012186601 558345703 /nfs/dbraw/zinc/34/57/03/558345703.db2.gz HWKNCQKQDZCGEA-UHFFFAOYSA-N 1 0 411.527 3.008 40 0 HGABRO CCOc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)cc1 ZINC000012329557 558384186 /nfs/dbraw/zinc/38/41/86/558384186.db2.gz KZNDCZVLIGJBAR-FCHUYYIVSA-N 1 0 413.514 3.478 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000020637002 558396377 /nfs/dbraw/zinc/39/63/77/558396377.db2.gz XSFXNOYACYLDOM-RTBURBONSA-N 1 0 411.889 3.105 40 0 HGABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000022917281 558521824 /nfs/dbraw/zinc/52/18/24/558521824.db2.gz MOTRSIMJKVFNMK-LJQANCHMSA-N 1 0 400.592 3.112 40 0 HGABRO Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000013678949 558565568 /nfs/dbraw/zinc/56/55/68/558565568.db2.gz FJVLBURKQPTVTP-UHFFFAOYSA-N 1 0 415.559 3.402 40 0 HGABRO Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCC[NH+]1CCCCC1 ZINC000013682520 558567517 /nfs/dbraw/zinc/56/75/17/558567517.db2.gz GTOVXBHJFQIIOP-UHFFFAOYSA-N 1 0 401.532 3.012 40 0 HGABRO COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030940027 558745344 /nfs/dbraw/zinc/74/53/44/558745344.db2.gz PUPWYGIJZYYFCV-GOSISDBHSA-N 1 0 413.493 3.053 40 0 HGABRO C[C@@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@@H]3C=C12 ZINC000036507694 558799976 /nfs/dbraw/zinc/79/99/76/558799976.db2.gz MQSZZIBOTGMDJA-WUMBMPIFSA-N 1 0 412.530 3.352 40 0 HGABRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCOc2ccccc2)c(Cl)c1 ZINC000016951318 558809625 /nfs/dbraw/zinc/80/96/25/558809625.db2.gz UTCUREXCXPTEBS-UHFFFAOYSA-N 1 0 401.898 3.373 40 0 HGABRO Cc1cc2c(cc1C[NH+]1CCC([C@H](NC(=O)C(F)F)c3ccccn3)CC1)OCO2 ZINC000019125524 558844559 /nfs/dbraw/zinc/84/45/59/558844559.db2.gz IZBXWIVYGCNIOY-FQEVSTJZSA-N 1 0 417.456 3.453 40 0 HGABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C[NH+]3CCCCCC3)C1)N2 ZINC000019127898 558844937 /nfs/dbraw/zinc/84/49/37/558844937.db2.gz NQFJABAXMBTGRU-OKZBNKHCSA-N 1 0 409.525 3.297 40 0 HGABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(OC[C@@H]3CCCO3)c1)C2 ZINC000019291397 558863929 /nfs/dbraw/zinc/86/39/29/558863929.db2.gz VBYBSMIWUJDFDW-XTBGBBATSA-N 1 0 411.546 3.098 40 0 HGABRO O=C(c1cccc(F)c1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)C1 ZINC000019293509 558865222 /nfs/dbraw/zinc/86/52/22/558865222.db2.gz KDUVALPNFJAUQW-KRWDZBQOSA-N 1 0 424.520 3.230 40 0 HGABRO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000019341186 558871855 /nfs/dbraw/zinc/87/18/55/558871855.db2.gz RDBCHOQYNMNQKF-UHFFFAOYSA-N 1 0 416.403 3.331 40 0 HGABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CC[N@@H+](C4CCCCC4)C3)nc2C1 ZINC000019347676 558874037 /nfs/dbraw/zinc/87/40/37/558874037.db2.gz QVCFFIRGGUVORS-MRXNPFEDSA-N 1 0 424.520 3.230 40 0 HGABRO O=C(c1cc(C2CC[NH+](Cc3ccccc3Cl)CC2)no1)N1CCC[C@@H](O)C1 ZINC000019348887 558874562 /nfs/dbraw/zinc/87/45/62/558874562.db2.gz TWTKSXJCSDBQCT-QGZVFWFLSA-N 1 0 403.910 3.305 40 0 HGABRO c1csc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000019369680 558878124 /nfs/dbraw/zinc/87/81/24/558878124.db2.gz KOWCBGMLPKRVKM-OAQYLSRUSA-N 1 0 408.575 3.433 40 0 HGABRO O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019370660 558878803 /nfs/dbraw/zinc/87/88/03/558878803.db2.gz NDXYHRBOCASWKL-IBGZPJMESA-N 1 0 420.557 3.019 40 0 HGABRO O=C(c1cc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)no1)N1CCC[C@H](O)C1 ZINC000019376064 558882144 /nfs/dbraw/zinc/88/21/44/558882144.db2.gz FXUKFYCALKXJAD-IBGZPJMESA-N 1 0 420.513 3.199 40 0 HGABRO C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1)c1ccccc1 ZINC000019459047 558892848 /nfs/dbraw/zinc/89/28/48/558892848.db2.gz YYJCLXCWYJGYRM-MJGOQNOKSA-N 1 0 420.557 3.190 40 0 HGABRO CCC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4cccc(OC)c4)CC3)ccc21 ZINC000019498893 558897329 /nfs/dbraw/zinc/89/73/29/558897329.db2.gz QEOPLKMSMHKHKE-DEOSSOPVSA-N 1 0 423.557 3.240 40 0 HGABRO CCCC(=O)NCCn1nc(C2CC[NH+](Cc3cccc(C)n3)CC2)c2cccnc21 ZINC000019501756 558899944 /nfs/dbraw/zinc/89/99/44/558899944.db2.gz ZPEYCZOHJGYFQJ-UHFFFAOYSA-N 1 0 420.561 3.431 40 0 HGABRO CCCc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)no1 ZINC000019525342 558906754 /nfs/dbraw/zinc/90/67/54/558906754.db2.gz AEKPLOYCTUMCRT-IBGZPJMESA-N 1 0 413.522 3.257 40 0 HGABRO CCN1CC[N@H+](CC2=CCCOC2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527751 558908867 /nfs/dbraw/zinc/90/88/67/558908867.db2.gz XPTXSBFDJQLNKG-QHCPKHFHSA-N 1 0 405.542 3.418 40 0 HGABRO CC[NH+]1CCN(CCNc2ncc(-c3cccs3)c(-c3nccs3)n2)CC1 ZINC000019528207 558909197 /nfs/dbraw/zinc/90/91/97/558909197.db2.gz SIEYFTUUYCRALF-UHFFFAOYSA-N 1 0 400.577 3.378 40 0 HGABRO COc1ccccc1C[NH+]1CCC(c2cc(C(=O)NCc3cccnc3)on2)CC1 ZINC000019570149 558929027 /nfs/dbraw/zinc/92/90/27/558929027.db2.gz IJGISUUOYNBCKK-UHFFFAOYSA-N 1 0 406.486 3.388 40 0 HGABRO CC(=O)Oc1ccc(C[NH+]2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)cc1 ZINC000072337255 558937635 /nfs/dbraw/zinc/93/76/35/558937635.db2.gz PUIHOLDBFANANU-UHFFFAOYSA-N 1 0 424.545 3.235 40 0 HGABRO CN(C)c1cc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCCC2)nc(-c2cccnc2)n1 ZINC000019584489 558938442 /nfs/dbraw/zinc/93/84/42/558938442.db2.gz PORGKHHZKFWQLW-QFIPXVFZSA-N 1 0 416.529 3.058 40 0 HGABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000072345929 558942476 /nfs/dbraw/zinc/94/24/76/558942476.db2.gz QDZFAKKGSDMSCP-HXUWFJFHSA-N 1 0 401.514 3.247 40 0 HGABRO CNc1cc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCCC2)nc(-c2cccnc2)n1 ZINC000019592239 558943034 /nfs/dbraw/zinc/94/30/34/558943034.db2.gz RDZYYOIHCMWBGG-NRFANRHFSA-N 1 0 402.502 3.034 40 0 HGABRO COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019593238 558944311 /nfs/dbraw/zinc/94/43/11/558944311.db2.gz HYCNNXBSAHFYPV-HTAPYJJXSA-N 1 0 403.473 3.466 40 0 HGABRO Cc1ncc(C[N@@H+]2CC[C@H](c3c4ccccc4sc3C(=O)NCCO)C2)s1 ZINC000072352328 558948486 /nfs/dbraw/zinc/94/84/86/558948486.db2.gz PWMLGUMJECTREG-AWEZNQCLSA-N 1 0 401.557 3.378 40 0 HGABRO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(-c4cncnc4)cc(C)n3)C2)cn1 ZINC000072353758 558950898 /nfs/dbraw/zinc/95/08/98/558950898.db2.gz CLAJJLNLRRIBFQ-LJQANCHMSA-N 1 0 404.518 3.206 40 0 HGABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)c1 ZINC000072354863 558952220 /nfs/dbraw/zinc/95/22/20/558952220.db2.gz BVEGNPDYVWTMHG-HXUWFJFHSA-N 1 0 421.476 3.180 40 0 HGABRO CC(=O)N1CCC([N@@H+]2CC[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)CC1 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VVCICVFJPCKLQH-AVRDEDQJSA-N 1 0 416.562 3.447 40 0 HGABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000585106162 559028443 /nfs/dbraw/zinc/02/84/43/559028443.db2.gz TVLXBFUWLKLXAQ-UAGQMJEPSA-N 1 0 421.944 3.178 40 0 HGABRO COc1ccc(F)c(C[N@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccnn4C)[C@H]3C2)c1 ZINC000585109821 559029519 /nfs/dbraw/zinc/02/95/19/559029519.db2.gz XMQXIPNQDJSZLE-SXWKCWPCSA-N 1 0 420.488 3.268 40 0 HGABRO CN1CCN(C(=O)C[C@H]2CC3(CC[NH+](Cc4ccccn4)CC3)c3ccccc32)CC1 ZINC000096052942 559092789 /nfs/dbraw/zinc/09/27/89/559092789.db2.gz MIIXEGRINMIQGT-NRFANRHFSA-N 1 0 418.585 3.267 40 0 HGABRO CCN1C(=O)[C@H]2C[N@H+](CC(C)C)C[C@H]2C12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000096143600 559096014 /nfs/dbraw/zinc/09/60/14/559096014.db2.gz HATXVIRTGCHXRH-VQTJNVASSA-N 1 0 417.981 3.381 40 0 HGABRO CCN1CC[C@@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2cccc(C)c2)CC3)C1=O ZINC000096144324 559096682 /nfs/dbraw/zinc/09/66/82/559096682.db2.gz GNBZIARQVCCLHJ-RUZDIDTESA-N 1 0 411.590 3.428 40 0 HGABRO CCN1CC[C@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2cccc(F)c2)CC3)C1=O ZINC000096144327 559096696 /nfs/dbraw/zinc/09/66/96/559096696.db2.gz HKLONIQFPCZROU-DEOSSOPVSA-N 1 0 415.553 3.258 40 0 HGABRO CN(C)C(=O)n1c(C(=O)N2CCC[N@H+](C)CC2)cc2c1c1ccccc1n2CC1CC1 ZINC000096146518 559097943 /nfs/dbraw/zinc/09/79/43/559097943.db2.gz VORGWDYHGRYOGK-UHFFFAOYSA-N 1 0 421.545 3.313 40 0 HGABRO C[NH+](C)[C@@H]1CCN(C(=O)c2cnc(-c3noc4cc(N5CCCC5)ccc43)s2)C1 ZINC000096154561 559098983 /nfs/dbraw/zinc/09/89/83/559098983.db2.gz LLPKYXBEAOCCON-OAHLLOKOSA-N 1 0 411.531 3.328 40 0 HGABRO O=S(=O)(c1cccs1)N1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216348 559101768 /nfs/dbraw/zinc/10/17/68/559101768.db2.gz MAAGRQQYLGEBJU-FQEVSTJZSA-N 1 0 406.573 3.304 40 0 HGABRO CC(C)C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)Nc4ccc(Cl)cc4)CC3)[C@@H]2C1 ZINC000096262179 559106255 /nfs/dbraw/zinc/10/62/55/559106255.db2.gz HJPQJGOHPAPDKY-ZWKOTPCHSA-N 1 0 404.942 3.040 40 0 HGABRO CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)C(C)(C)[NH3+])CC3)n2)s1 ZINC000585263632 559112062 /nfs/dbraw/zinc/11/20/62/559112062.db2.gz XAMHVCFHZZYLLB-UHFFFAOYSA-N 1 0 402.568 3.381 40 0 HGABRO Cc1cc(OC[C@@]2(O)CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)cc(C)c1Cl ZINC000585271555 559115848 /nfs/dbraw/zinc/11/58/48/559115848.db2.gz HKBVUSPECSSKGS-JOCHJYFZSA-N 1 0 408.970 3.421 40 0 HGABRO CC(C)[N@H+](Cc1ccccc1)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585283195 559120516 /nfs/dbraw/zinc/12/05/16/559120516.db2.gz DBQZNNPWMJMVQW-GMAHTHKFSA-N 1 0 416.949 3.189 40 0 HGABRO Cc1csc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)nc(C)n2)n1 ZINC000585291725 559123968 /nfs/dbraw/zinc/12/39/68/559123968.db2.gz FJBWDIOXXVTRJQ-LKUPDRCFSA-N 1 0 400.552 3.465 40 0 HGABRO OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(OCC2(O)CCCCC2)cc1 ZINC000585292987 559125516 /nfs/dbraw/zinc/12/55/16/559125516.db2.gz QPNCVKMUUPEWAS-WXFUMESZSA-N 1 0 411.542 3.082 40 0 HGABRO Cc1nc(Nc2cc([C@@H]3CCN(C(=O)/C=C/C[NH+](C)C)C3)nc(C)n2)sc1C ZINC000585293289 559125831 /nfs/dbraw/zinc/12/58/31/559125831.db2.gz ZCPYXTHANVMGQK-FYCOFBDGSA-N 1 0 400.552 3.036 40 0 HGABRO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCC(C)CC3)cc2c1 ZINC000000782698 559279248 /nfs/dbraw/zinc/27/92/48/559279248.db2.gz ZORMNJNUCSNEBZ-HXUWFJFHSA-N 1 0 424.549 3.490 40 0 HGABRO COc1cc(C[N@H+](C)C[C@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCCO ZINC000257281938 559285347 /nfs/dbraw/zinc/28/53/47/559285347.db2.gz OROJXPXWYWZJHP-FQEVSTJZSA-N 1 0 412.530 3.131 40 0 HGABRO CCN(C(=O)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1)c1cccc(C)c1 ZINC000257286396 559285593 /nfs/dbraw/zinc/28/55/93/559285593.db2.gz PLLMMVCPXRZNFT-AHWVRZQESA-N 1 0 421.585 3.449 40 0 HGABRO O=S(=O)(c1ccc2ccccc2c1)N(C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000005023388 560623714 /nfs/dbraw/zinc/62/37/14/560623714.db2.gz XVHAYCWRZDGZFG-QFIPXVFZSA-N 1 0 410.539 3.492 40 0 HGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccccc2)cc1 ZINC000409058876 560670801 /nfs/dbraw/zinc/67/08/01/560670801.db2.gz LXTDSIBAAOJGBD-AYHYUOJHSA-O 1 0 414.485 3.020 40 0 HGABRO Cc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409054426 560671363 /nfs/dbraw/zinc/67/13/63/560671363.db2.gz JQDSPQFWAFFPEG-WSBKAMHLSA-O 1 0 416.476 3.459 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409061246 560672812 /nfs/dbraw/zinc/67/28/12/560672812.db2.gz YKQRUXYMWNLIAA-NAGXTHEASA-O 1 0 404.877 3.356 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409071081 560673225 /nfs/dbraw/zinc/67/32/25/560673225.db2.gz OINGYPGZOSFFRG-IQUGWNQFSA-O 1 0 422.867 3.495 40 0 HGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000409072753 560673443 /nfs/dbraw/zinc/67/34/43/560673443.db2.gz SHFZIPDYQJCLRN-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO O=C(NCCCn1ccnc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000100619421 560725708 /nfs/dbraw/zinc/72/57/08/560725708.db2.gz KEOOPWCVXLHHMW-IUODEOHRSA-N 1 0 408.384 3.153 40 0 HGABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 ZINC000009062961 560757329 /nfs/dbraw/zinc/75/73/29/560757329.db2.gz DGWKBKUBCBDNQL-UHFFFAOYSA-N 1 0 421.541 3.318 40 0 HGABRO c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019372837 560872503 /nfs/dbraw/zinc/87/25/03/560872503.db2.gz OEFNWPHOLYOALC-HSZRJFAPSA-N 1 0 402.546 3.371 40 0 HGABRO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)cc(Br)c1OCC(N)=O ZINC000022076765 568473701 /nfs/dbraw/zinc/47/37/01/568473701.db2.gz MIIZHOPJFYXOOT-UHFFFAOYSA-N 1 0 423.307 3.010 40 0 HGABRO O=C(NCc1nc(-c2cccs2)no1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222600536 568520009 /nfs/dbraw/zinc/52/00/09/568520009.db2.gz IMDVUHVUWVASDA-HNNXBMFYSA-N 1 0 400.479 3.466 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 ZINC000223212519 568541143 /nfs/dbraw/zinc/54/11/43/568541143.db2.gz JNNWRZLVDBMYOS-SFTDATJTSA-N 1 0 406.559 3.192 40 0 HGABRO COC(=O)c1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1C ZINC000224850404 568600137 /nfs/dbraw/zinc/60/01/37/568600137.db2.gz QXFTYCULSSVQEW-UHFFFAOYSA-N 1 0 416.543 3.246 40 0 HGABRO Cc1ccc(C(=O)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(I)c1 ZINC000225027956 568609990 /nfs/dbraw/zinc/60/99/90/568609990.db2.gz KMXVAALSWALYKU-OKILXGFUSA-N 1 0 400.304 3.307 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000225661674 568778374 /nfs/dbraw/zinc/77/83/74/568778374.db2.gz FYDSZLRCGNAQST-HBFSDRIKSA-N 1 0 407.919 3.096 40 0 HGABRO CNC(=O)c1sc2nc([C@@]3(C)CCC[N@H+](CC4CCOCC4)C3)ccc2c1N ZINC000257234041 568785915 /nfs/dbraw/zinc/78/59/15/568785915.db2.gz GRWAWUBFRCCUOE-NRFANRHFSA-N 1 0 402.564 3.018 40 0 HGABRO Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccccc2OCC[NH+](C)C)n1 ZINC000257249156 568790111 /nfs/dbraw/zinc/79/01/11/568790111.db2.gz JHAKNGWPGAMZAV-NRFANRHFSA-N 1 0 419.529 3.493 40 0 HGABRO Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000257251744 568790717 /nfs/dbraw/zinc/79/07/17/568790717.db2.gz JSBCNQOAAPTHGD-JOCHJYFZSA-N 1 0 419.529 3.493 40 0 HGABRO COCCNC(=O)CN1CCC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257252297 568790912 /nfs/dbraw/zinc/79/09/12/568790912.db2.gz JUGTWUKLINTLRZ-QGZVFWFLSA-N 1 0 400.498 3.215 40 0 HGABRO Cc1cccnc1Nc1cccc(C2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)n1 ZINC000257332423 568813810 /nfs/dbraw/zinc/81/38/10/568813810.db2.gz XXGWFLICHIXMKD-IBGZPJMESA-N 1 0 423.561 3.203 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218533753 568880723 /nfs/dbraw/zinc/88/07/23/568880723.db2.gz SRMQAWYJNWDINO-CMKODMSKSA-N 1 0 407.919 3.096 40 0 HGABRO CN1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000306124170 568887282 /nfs/dbraw/zinc/88/72/82/568887282.db2.gz BIEZRSAVDWXYBJ-UHFFFAOYSA-N 1 0 423.542 3.172 40 0 HGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccco3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306125589 568888431 /nfs/dbraw/zinc/88/84/31/568888431.db2.gz CVBLCHSCFSZWEY-XUZZJYLKSA-N 1 0 419.529 3.470 40 0 HGABRO O=C1N(Cc2ccc(F)cc2)CCO[C@]12C[N@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306127040 568889841 /nfs/dbraw/zinc/88/98/41/568889841.db2.gz FMEVUBULSOEPEA-VWNXMTODSA-N 1 0 421.472 3.211 40 0 HGABRO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@]2(C1)COCc1cnc(NCc3ccccc3)nc12 ZINC000306127124 568890031 /nfs/dbraw/zinc/89/00/31/568890031.db2.gz FOZIKEHBVLRNFK-DEOSSOPVSA-N 1 0 418.545 3.113 40 0 HGABRO Cc1cc(C)cc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)c1 ZINC000306128937 568891676 /nfs/dbraw/zinc/89/16/76/568891676.db2.gz HORGDPWUYAHXHE-WOJBJXKFSA-N 1 0 401.514 3.452 40 0 HGABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306132050 568894425 /nfs/dbraw/zinc/89/44/25/568894425.db2.gz KWOZQSAPOSINPM-MOPGFXCFSA-N 1 0 421.932 3.166 40 0 HGABRO c1nc2ncc(-c3cccnc3)nc2n1C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000306132460 568894608 /nfs/dbraw/zinc/89/46/08/568894608.db2.gz LJUJRNNCFBGUKL-UHFFFAOYSA-N 1 0 414.469 3.454 40 0 HGABRO COCCN1CC[C@]2(C[N@H+](Cc3cccc(C)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306134938 568896871 /nfs/dbraw/zinc/89/68/71/568896871.db2.gz OBXYVHMFRUGUEZ-XUZZJYLKSA-N 1 0 410.562 3.237 40 0 HGABRO O=C(NC1CCCCC1)c1nnc2n1CC1(C2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000306135619 568897415 /nfs/dbraw/zinc/89/74/15/568897415.db2.gz OWAYMRFRLCWVKU-UHFFFAOYSA-N 1 0 411.525 3.318 40 0 HGABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306136571 568898504 /nfs/dbraw/zinc/89/85/04/568898504.db2.gz PXHLWRKVAIHQRS-DLBZAZTESA-N 1 0 407.905 3.488 40 0 HGABRO O=C(C1CC1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CC[NH+]1CCCC1 ZINC000306143777 568905200 /nfs/dbraw/zinc/90/52/00/568905200.db2.gz YLWVOPKSXXZOCA-UHFFFAOYSA-N 1 0 406.530 3.266 40 0 HGABRO COC(=O)N1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000306143968 568905375 /nfs/dbraw/zinc/90/53/75/568905375.db2.gz YSCVQDABVUJIEV-UHFFFAOYSA-N 1 0 421.501 3.420 40 0 HGABRO COc1ccc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cnc(C(C)(C)C)nc23)cc1 ZINC000306144954 568906270 /nfs/dbraw/zinc/90/62/70/568906270.db2.gz ZTECNKPARIIFHT-UHFFFAOYSA-N 1 0 408.546 3.402 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000328958818 568969641 /nfs/dbraw/zinc/96/96/41/568969641.db2.gz APYPJHCQIUYBGI-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO COc1ccc(C(=O)Nc2cc(N)ccc2N2CC[NH+](C)CC2)cc1Br ZINC000226259699 569278649 /nfs/dbraw/zinc/27/86/49/569278649.db2.gz CUWSSAZZILOSNM-UHFFFAOYSA-N 1 0 419.323 3.044 40 0 HGABRO C[C@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1 ZINC000248150541 569316612 /nfs/dbraw/zinc/31/66/12/569316612.db2.gz TWMURSCRWCSUNG-GHTZIAJQSA-N 1 0 418.545 3.364 40 0 HGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@H]3C)[nH]c(=O)c2C1 ZINC000253599073 569318378 /nfs/dbraw/zinc/31/83/78/569318378.db2.gz KPUFZVQSVZKBBN-RKVPGOIHSA-N 1 0 412.559 3.430 40 0 HGABRO CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000019530031 569345635 /nfs/dbraw/zinc/34/56/35/569345635.db2.gz ZFGKKZFWXMIMPI-WGGBDISSSA-N 1 0 418.509 3.391 40 0 HGABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000019694741 569346619 /nfs/dbraw/zinc/34/66/19/569346619.db2.gz WFDUVGJFNHQQHM-OAQYLSRUSA-N 1 0 415.541 3.341 40 0 HGABRO COc1ccccc1CNC(=O)c1cc([C@@H]2CC[N@H+](Cc3ccccc3F)C2)n[nH]1 ZINC000019707785 569347950 /nfs/dbraw/zinc/34/79/50/569347950.db2.gz ZHZNUVBGTBDAEK-GOSISDBHSA-N 1 0 408.477 3.477 40 0 HGABRO Cc1ncc(C(=O)NCc2cnn(-c3ccccc3)c2[C@@H]2CC[N@@H+](C(C)C)C2)c(C)n1 ZINC000019707995 569348082 /nfs/dbraw/zinc/34/80/82/569348082.db2.gz FXDGCMUFALLSAX-LJQANCHMSA-N 1 0 418.545 3.407 40 0 HGABRO Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(c2ccc(C(N)=O)c(N)n2)CC1 ZINC000019765757 569349055 /nfs/dbraw/zinc/34/90/55/569349055.db2.gz LROJTSOXIOFWNJ-UHFFFAOYSA-N 1 0 418.545 3.004 40 0 HGABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(c2ncc(C(N)=O)c(C)n2)CC1 ZINC000019766623 569349131 /nfs/dbraw/zinc/34/91/31/569349131.db2.gz XVMXANAFTFBYCJ-UHFFFAOYSA-N 1 0 422.508 3.205 40 0 HGABRO CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(CN(C)C(=O)CCCc2ccc(F)cc2)n1 ZINC000019710036 569428908 /nfs/dbraw/zinc/42/89/08/569428908.db2.gz NCWILLCRSYXQOW-SFHVURJKSA-N 1 0 413.541 3.130 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2cccnc2)n1 ZINC000328980832 571304709 /nfs/dbraw/zinc/30/47/09/571304709.db2.gz GQARDLCSLAVMDK-UHFFFAOYSA-N 1 0 400.433 3.857 40 0 HGABRO C[NH+](C)CCNc1nc(C2CC2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329044269 571304740 /nfs/dbraw/zinc/30/47/40/571304740.db2.gz SWAROBXFZBHLSO-UHFFFAOYSA-N 1 0 421.467 3.789 40 0 HGABRO CC(C)c1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NCC[NH+](C)C)n1 ZINC000329006754 571306478 /nfs/dbraw/zinc/30/64/78/571306478.db2.gz LEFRRQIYLLTKTJ-UHFFFAOYSA-N 1 0 423.483 4.035 40 0 HGABRO O=C(NCc1ccccc1Cl)c1cnc(Nc2cc(C3CC[NH2+]CC3)[nH]n2)s1 ZINC000585263323 571306820 /nfs/dbraw/zinc/30/68/20/571306820.db2.gz VSCAZWUIRXPZAJ-UHFFFAOYSA-N 1 0 416.938 3.660 40 0 HGABRO CC1=C[C@@H](C[NH+]2CCC(O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 ZINC000035442727 291233563 /nfs/dbraw/zinc/23/35/63/291233563.db2.gz MBMVONHGTDIBOW-BJLQDIEVSA-N 1 0 413.566 3.324 40 0 biogenic,in-vitro HGABRO Cn1c(CN2CCOC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)nc2ccccc21 ZINC000096269016 291242365 /nfs/dbraw/zinc/24/23/65/291242365.db2.gz HDMXPLYCZHCWKW-OAHLLOKOSA-N 1 0 406.408 3.267 40 0 biogenic,in-vitro HGABRO O[C@@H]1[C@@H](Oc2ccccc2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000012483177 291246192 /nfs/dbraw/zinc/24/61/92/291246192.db2.gz SSBRIVNHYSQSCV-NHTNDUFYSA-N 1 0 403.478 3.375 40 0 biogenic,in-vitro HGABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857140 525069042 /nfs/dbraw/zinc/06/90/42/525069042.db2.gz QJTKAZGIMYVMKF-MRXNPFEDSA-N 1 0 418.534 3.319 40 0 HGABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857114 525069635 /nfs/dbraw/zinc/06/96/35/525069635.db2.gz QQVWSEQSLUQBCX-QGZVFWFLSA-N 1 0 400.544 3.180 40 0 HGABRO Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044874577 525872763 /nfs/dbraw/zinc/87/27/63/525872763.db2.gz AUDVQWMWXCKHLQ-UHFFFAOYSA-N 1 0 415.559 3.282 40 0 HGABRO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)c1 ZINC000009042716 557017283 /nfs/dbraw/zinc/01/72/83/557017283.db2.gz GDXJQZFJTRLPIA-ROMRWMGNSA-N 1 0 423.513 3.432 40 0 HGABRO Cc1cc(C)nc(N2CCC(CC(=O)N[C@@H](C)CC[NH+]3CCCCCC3)CC2)n1 ZINC000019748260 558267682 /nfs/dbraw/zinc/26/76/82/558267682.db2.gz SLMSQILOXJVNNP-SFHVURJKSA-N 1 0 401.599 3.471 40 0 HGABRO COc1cccc(C(=O)N2CC[C@H](C(=O)Nc3ccccc3C[NH+]3CCCC3)C2)c1 ZINC000019750454 558270483 /nfs/dbraw/zinc/27/04/83/558270483.db2.gz WRCGGXJATNULFW-FQEVSTJZSA-N 1 0 407.514 3.392 40 0 HGABRO COc1ccc(NC(=O)c2cnc([C@H]3CC[N@H+](Cc4cccnc4)C3)nc2C)cc1 ZINC000019759162 558275588 /nfs/dbraw/zinc/27/55/88/558275588.db2.gz DJZIYKYZVHFVCX-SFHVURJKSA-N 1 0 403.486 3.430 40 0 HGABRO Cc1nc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019766285 558278492 /nfs/dbraw/zinc/27/84/92/558278492.db2.gz CKBPLDHMLWTILE-OAQYLSRUSA-N 1 0 401.514 3.490 40 0 HGABRO Cn1cc([C@H](O)C[NH+]2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc21 ZINC000012134908 558333426 /nfs/dbraw/zinc/33/34/26/558333426.db2.gz LDQZDEGBXIXXDK-HSZRJFAPSA-N 1 0 404.514 3.089 40 0 HGABRO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@H+](Cc3ccncc3C)C1)O2 ZINC000012135348 558333814 /nfs/dbraw/zinc/33/38/14/558333814.db2.gz NWGAKYWNWYAROQ-YKSBVNFPSA-N 1 0 409.530 3.420 40 0 HGABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012145777 558337121 /nfs/dbraw/zinc/33/71/21/558337121.db2.gz JAZSDUPVQQTMAB-UHFFFAOYSA-N 1 0 419.525 3.427 40 0 HGABRO COc1ccc(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1 ZINC000012186602 558345730 /nfs/dbraw/zinc/34/57/30/558345730.db2.gz SAEABSNHPWVOMG-UHFFFAOYSA-N 1 0 411.527 3.008 40 0 HGABRO CC(C)n1c2ccc(S(=O)(=O)N3CCCC[C@@H]3C[NH+]3CCCCC3)cc2oc1=O ZINC000012220619 558355626 /nfs/dbraw/zinc/35/56/26/558355626.db2.gz FKBXPEYNLYAUGW-QGZVFWFLSA-N 1 0 421.563 3.205 40 0 HGABRO COc1cc(C[NH2+]Cc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)cc(OC)c1 ZINC000012290160 558365699 /nfs/dbraw/zinc/36/56/99/558365699.db2.gz QYCLMNGAKRHANE-UHFFFAOYSA-N 1 0 422.460 3.468 40 0 HGABRO COc1ccc(C2([NH2+]Cc3ccc(OCC(=O)N4CCOCC4)cc3)CCCC2)cc1 ZINC000012293028 558365993 /nfs/dbraw/zinc/36/59/93/558365993.db2.gz GCDZEQQOCDTFED-UHFFFAOYSA-N 1 0 424.541 3.492 40 0 HGABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1OC ZINC000012329657 558384241 /nfs/dbraw/zinc/38/42/41/558384241.db2.gz LVJYNKJPGVZBOW-MOPGFXCFSA-N 1 0 417.477 3.227 40 0 HGABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1OC ZINC000012329663 558384341 /nfs/dbraw/zinc/38/43/41/558384341.db2.gz LVJYNKJPGVZBOW-OALUTQOASA-N 1 0 417.477 3.227 40 0 HGABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1OC ZINC000012329675 558384641 /nfs/dbraw/zinc/38/46/41/558384641.db2.gz JGKMQMAJQMCTGP-WOJBJXKFSA-N 1 0 413.514 3.396 40 0 HGABRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2C)cc1 ZINC000013677844 558565071 /nfs/dbraw/zinc/56/50/71/558565071.db2.gz IHSZYGRUCYFXRD-UHFFFAOYSA-N 1 0 415.559 3.320 40 0 HGABRO O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013679148 558565498 /nfs/dbraw/zinc/56/54/98/558565498.db2.gz HDWXZKBUSVNNCK-UHFFFAOYSA-N 1 0 413.543 3.319 40 0 HGABRO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000015357215 558735576 /nfs/dbraw/zinc/73/55/76/558735576.db2.gz MTYZFKNEZLKGBO-UHFFFAOYSA-N 1 0 404.532 3.168 40 0 HGABRO COc1ccc(Br)cc1S(=O)(=O)NCCC[NH+]1CCCCCC1 ZINC000031559938 558751061 /nfs/dbraw/zinc/75/10/61/558751061.db2.gz DGJTVHNFCXEYMJ-UHFFFAOYSA-N 1 0 405.358 3.002 40 0 HGABRO C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000035313663 558789674 /nfs/dbraw/zinc/78/96/74/558789674.db2.gz YGDBYGJITSLPBV-ROUUACIJSA-N 1 0 407.580 3.453 40 0 HGABRO C[NH+]1CCC(N(C[C@@H]2CCCO2)C(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)CC1 ZINC000019082376 558840170 /nfs/dbraw/zinc/84/01/70/558840170.db2.gz FSYYZQNTUZPECY-WMZOPIPTSA-N 1 0 402.583 3.276 40 0 HGABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@H](C)[NH+]3CCCCC3)CC1)N2 ZINC000019128365 558845017 /nfs/dbraw/zinc/84/50/17/558845017.db2.gz PEKWZKUYLHYDLI-RYQLBKOJSA-N 1 0 409.525 3.295 40 0 HGABRO Cc1cccnc1CN(Cc1ccccc1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000019237765 558856988 /nfs/dbraw/zinc/85/69/88/558856988.db2.gz NNJJNHRGDFZQEF-HSZRJFAPSA-N 1 0 420.557 3.052 40 0 HGABRO Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCC[N@@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019239485 558858103 /nfs/dbraw/zinc/85/81/03/558858103.db2.gz ACMLHDGPYOCSDW-OAQYLSRUSA-N 1 0 421.545 3.141 40 0 HGABRO O[C@@H](C[N@@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000019332954 558868891 /nfs/dbraw/zinc/86/88/91/558868891.db2.gz FXGUBIVSHDAYFI-REWPJTCUSA-N 1 0 401.478 3.394 40 0 HGABRO O=C(c1cccnc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019337547 558870668 /nfs/dbraw/zinc/87/06/68/558870668.db2.gz YCKXGBNOGUBPFC-NRFANRHFSA-N 1 0 421.545 3.081 40 0 HGABRO c1cncc(C[N@@H+]2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)c1 ZINC000019339025 558870790 /nfs/dbraw/zinc/87/07/90/558870790.db2.gz LHKQVTJNOUOCKG-OAQYLSRUSA-N 1 0 416.529 3.150 40 0 HGABRO O=C(C[NH+]1CCCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 ZINC000019369322 558877911 /nfs/dbraw/zinc/87/79/11/558877911.db2.gz VJONDQWVBAOWEK-NRFANRHFSA-N 1 0 408.546 3.313 40 0 HGABRO CC(C)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019447359 558886528 /nfs/dbraw/zinc/88/65/28/558886528.db2.gz YXYSBGYGULFPND-SFTDATJTSA-N 1 0 407.562 3.065 40 0 HGABRO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCCC[C@H]3C[NH+](C)C)cc2N1 ZINC000019451156 558889294 /nfs/dbraw/zinc/88/92/94/558889294.db2.gz ZRVHWHBVJHWOSU-OFQRWUPVSA-N 1 0 401.477 3.383 40 0 HGABRO C[C@@H](CC(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1)n1ccnc1 ZINC000019455460 558891738 /nfs/dbraw/zinc/89/17/38/558891738.db2.gz MCXQUWZEPBJFBE-KRWDZBQOSA-N 1 0 424.524 3.155 40 0 HGABRO C[C@@H](CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1)[NH+]1CCN(C)CC1 ZINC000019455584 558891821 /nfs/dbraw/zinc/89/18/21/558891821.db2.gz BGEWVEZQVKTWKK-JTSKRJEESA-N 1 0 400.954 3.357 40 0 HGABRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019456280 558892156 /nfs/dbraw/zinc/89/21/56/558892156.db2.gz SVCOQXYWYFMBTM-UGKGYDQZSA-N 1 0 424.541 3.216 40 0 HGABRO CCc1ncc(C[N@@H+]2CCC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)cn1 ZINC000019523367 558904583 /nfs/dbraw/zinc/90/45/83/558904583.db2.gz RPHQQOASVSFMKS-VWLOTQADSA-N 1 0 415.541 3.411 40 0 HGABRO CCOc1cc2c(cc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1cc(OC)ccc1F)OCO2 ZINC000019532553 558912656 /nfs/dbraw/zinc/91/26/56/558912656.db2.gz NFDIIXSZSCCRIO-VGSWGCGISA-N 1 0 416.449 3.071 40 0 HGABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 ZINC000072334891 558935840 /nfs/dbraw/zinc/93/58/40/558935840.db2.gz FCGPSUBELNDWPR-CQSZACIVSA-N 1 0 400.548 3.078 40 0 HGABRO COc1cc(C)c(C[NH+]2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)cc1C ZINC000072340531 558939008 /nfs/dbraw/zinc/93/90/08/558939008.db2.gz XYIGBZVLKTWJLO-DEOSSOPVSA-N 1 0 420.557 3.449 40 0 HGABRO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019591353 558941901 /nfs/dbraw/zinc/94/19/01/558941901.db2.gz XFZFXKAKNNQKLP-DEOSSOPVSA-N 1 0 401.514 3.110 40 0 HGABRO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019593235 558944355 /nfs/dbraw/zinc/94/43/55/558944355.db2.gz HYCNNXBSAHFYPV-VGSWGCGISA-N 1 0 403.473 3.466 40 0 HGABRO CNc1cc([C@H]2CCC[N@H+](Cc3ccc(C)cc3OC)C2)nc(CN(C)C(C)=O)n1 ZINC000072370147 558956391 /nfs/dbraw/zinc/95/63/91/558956391.db2.gz OOQPRKRKEVORNU-SFHVURJKSA-N 1 0 411.550 3.193 40 0 HGABRO C[C@H]1CCCC[N@@H+]1CC(=O)N1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 ZINC000019689028 558958517 /nfs/dbraw/zinc/95/85/17/558958517.db2.gz FVAIBMIJUBDRHZ-SFHVURJKSA-N 1 0 420.557 3.428 40 0 HGABRO CCOc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)ccc1O ZINC000072393226 558972679 /nfs/dbraw/zinc/97/26/79/558972679.db2.gz VRWUACIMVQENBK-KRWDZBQOSA-N 1 0 406.486 3.316 40 0 HGABRO COc1ccc2c(c1)C(=O)N[C@@]1(CC[N@@H+]([C@H](C)Cc3ccc(OC)c(OC)c3)C1)CC2 ZINC000072395783 558974823 /nfs/dbraw/zinc/97/48/23/558974823.db2.gz QTGUMDXHONAXJW-CRICUBBOSA-N 1 0 424.541 3.464 40 0 HGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H]3C)[nH]c(=O)c2C1 ZINC000072398805 558976198 /nfs/dbraw/zinc/97/61/98/558976198.db2.gz KPUFZVQSVZKBBN-DAYGRLMNSA-N 1 0 412.559 3.018 40 0 HGABRO CN(C)C(=O)C[N@@H+]1CCC[C@]12CCCN(C(=O)c1cc3ccccc3cc1O)CC2 ZINC000585100772 559025421 /nfs/dbraw/zinc/02/54/21/559025421.db2.gz WCMFSOKUSAMFIC-DEOSSOPVSA-N 1 0 409.530 3.094 40 0 HGABRO COCC[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1sc(C)nc1C)CC2)C(C)C ZINC000585105124 559027641 /nfs/dbraw/zinc/02/76/41/559027641.db2.gz YSDZMDFVZBNLRH-SFHVURJKSA-N 1 0 409.596 3.128 40 0 HGABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000585106161 559028461 /nfs/dbraw/zinc/02/84/61/559028461.db2.gz TVLXBFUWLKLXAQ-OIISXLGYSA-N 1 0 421.944 3.178 40 0 HGABRO Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@@H]21 ZINC000585109792 559029499 /nfs/dbraw/zinc/02/94/99/559029499.db2.gz UQHPIYOKBAGSGF-CNNODRBYSA-N 1 0 408.452 3.399 40 0 HGABRO CCOc1cc(C[NH2+]C)c(Br)cc1OCC(=O)NCCc1ccccc1 ZINC000016688168 559079051 /nfs/dbraw/zinc/07/90/51/559079051.db2.gz IKDDNMPDNRULAA-UHFFFAOYSA-N 1 0 421.335 3.305 40 0 HGABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052819 559092454 /nfs/dbraw/zinc/09/24/54/559092454.db2.gz SUPOOBCHTHODBM-OAQYLSRUSA-N 1 0 405.542 3.352 40 0 HGABRO O=C(NCC[NH+]1CCCC1)c1nc(-c2cn(-c3ccccc3)cn2)n2ccccc12 ZINC000096155055 559099339 /nfs/dbraw/zinc/09/93/39/559099339.db2.gz IYLDBZFMSYDYRI-UHFFFAOYSA-N 1 0 400.486 3.013 40 0 HGABRO O=S(=O)(c1cccs1)N1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216352 559101845 /nfs/dbraw/zinc/10/18/45/559101845.db2.gz MAAGRQQYLGEBJU-HXUWFJFHSA-N 1 0 406.573 3.304 40 0 HGABRO CCN1CC[C@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)Cc2ccccc2)CC3)C1=O ZINC000096262640 559106648 /nfs/dbraw/zinc/10/66/48/559106648.db2.gz LTTQAAHTEYQNJP-VWLOTQADSA-N 1 0 411.590 3.048 40 0 HGABRO Cc1nc(Nc2cc([C@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)nc(C)n2)sc1C ZINC000585292976 559125448 /nfs/dbraw/zinc/12/54/48/559125448.db2.gz VFBYWAOFRNUGPF-LKUPDRCFSA-N 1 0 414.579 3.426 40 0 HGABRO CN1CC2(CC[NH+](Cc3ccccc3F)CC2)COc2ccccc2S1(=O)=O ZINC000105041387 559162174 /nfs/dbraw/zinc/16/21/74/559162174.db2.gz QWTNTTMKSNKGMR-UHFFFAOYSA-N 1 0 404.507 3.121 40 0 HGABRO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@H](O)COc3ccccc3)cc2)n1 ZINC000257267113 559284954 /nfs/dbraw/zinc/28/49/54/559284954.db2.gz MGAOWTPDGPKIMD-QFIPXVFZSA-N 1 0 409.530 3.451 40 0 HGABRO C[C@]1(O)CCN(C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1Oc1ccccc1 ZINC000257295210 559285700 /nfs/dbraw/zinc/28/57/00/559285700.db2.gz QXLDTIDWLZHQCJ-ZCYQVOJMSA-N 1 0 424.541 3.206 40 0 HGABRO CCCc1onc(C)c1C(=O)N1CC2(C1)CC[C@@H](C[N@H+](C)Cc1cccnc1)CO2 ZINC000575402525 560546696 /nfs/dbraw/zinc/54/66/96/560546696.db2.gz CACGUGMMQKQAQO-IBGZPJMESA-N 1 0 412.534 3.084 40 0 HGABRO CCCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000004133827 560600757 /nfs/dbraw/zinc/60/07/57/560600757.db2.gz GKGAWMKAFAUFNX-UHFFFAOYSA-N 1 0 418.607 3.355 40 0 HGABRO Cc1cc(C)c2cc(CN(CCC[NH+](C)C)C(=S)NCC(C)C)c(=O)[nH]c2c1 ZINC000004162010 560602174 /nfs/dbraw/zinc/60/21/74/560602174.db2.gz HGDCDYCJBIPDRK-UHFFFAOYSA-N 1 0 402.608 3.429 40 0 HGABRO Cc1ccccc1C(=O)Nc1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1C ZINC000006443926 560631605 /nfs/dbraw/zinc/63/16/05/560631605.db2.gz BHDTVKYJUCDLMW-UHFFFAOYSA-N 1 0 422.514 3.241 40 0 HGABRO Cc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409053442 560669743 /nfs/dbraw/zinc/66/97/43/560669743.db2.gz KCORKLIGJJGTQS-DCFWFYTKSA-O 1 0 402.449 3.150 40 0 HGABRO NC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000409184938 560688889 /nfs/dbraw/zinc/68/88/89/560688889.db2.gz IPGWFFDRWNEPIS-UHFFFAOYSA-N 1 0 414.509 3.360 40 0 HGABRO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Br)c1OCC(N)=O ZINC000008253732 560753424 /nfs/dbraw/zinc/75/34/24/560753424.db2.gz YWKGGPKSLJHVCR-UHFFFAOYSA-N 1 0 411.271 3.141 40 0 HGABRO Cc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020140651 560881368 /nfs/dbraw/zinc/88/13/68/560881368.db2.gz DRYWWSNSECVKDS-GOTSBHOMSA-N 1 0 424.593 3.200 40 0 HGABRO C[C@H](O)C[NH2+]CCNCc1cc(Br)ccc1OCc1ccccc1F ZINC000022075575 568473909 /nfs/dbraw/zinc/47/39/09/568473909.db2.gz RZRBAHQZIVMCLK-AWEZNQCLSA-N 1 0 411.315 3.227 40 0 HGABRO Cc1ccccc1C[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382408 568489522 /nfs/dbraw/zinc/48/95/22/568489522.db2.gz RCHTXGRVIYGQFU-LUGTWXOSSA-N 1 0 421.516 3.281 40 0 biogenic,in-vitro HGABRO COc1cccc(-c2noc(CNC(=O)[C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000222599865 568519996 /nfs/dbraw/zinc/51/99/96/568519996.db2.gz SOGPNFKEDWBNRL-SFHVURJKSA-N 1 0 424.476 3.413 40 0 HGABRO COC(=O)CSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000222926897 568531185 /nfs/dbraw/zinc/53/11/85/568531185.db2.gz QYVSQYKYUGOYIW-CYBMUJFWSA-N 1 0 420.560 3.287 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 ZINC000223212370 568541204 /nfs/dbraw/zinc/54/12/04/568541204.db2.gz OHHHFYAQOIDZFC-LEWJYISDSA-N 1 0 406.559 3.192 40 0 HGABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 ZINC000223253695 568542664 /nfs/dbraw/zinc/54/26/64/568542664.db2.gz FWIDIAQASONVME-CABCVRRESA-N 1 0 411.394 3.440 40 0 HGABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 ZINC000223253641 568542675 /nfs/dbraw/zinc/54/26/75/568542675.db2.gz FWIDIAQASONVME-GJZGRUSLSA-N 1 0 411.394 3.440 40 0 HGABRO Cc1cc(C)cc(N(CCCC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)c1 ZINC000224757207 568595577 /nfs/dbraw/zinc/59/55/77/568595577.db2.gz NDYKCJCZETUFGE-UHFFFAOYSA-N 1 0 423.623 3.088 40 0 HGABRO COC(=O)CSc1nnc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000225829664 568678640 /nfs/dbraw/zinc/67/86/40/568678640.db2.gz SFKNTTHIUNYCHX-UHFFFAOYSA-N 1 0 420.560 3.432 40 0 HGABRO NC(=[NH2+])NC[C@H]1CC[C@H](C(=O)Oc2ccccc2C(=O)OCc2ccccc2)CC1 ZINC000250643992 568749255 /nfs/dbraw/zinc/74/92/55/568749255.db2.gz IAXUQWSLRKIRFR-SAABIXHNSA-N 1 0 409.486 3.238 40 0 HGABRO COCCN1C(=O)Cc2c1nc([C@@]1(C)CCC[N@H+](Cc3sccc3C)C1)nc2C ZINC000257211790 568779577 /nfs/dbraw/zinc/77/95/77/568779577.db2.gz CAKPGWUQPMZCMX-QFIPXVFZSA-N 1 0 414.575 3.244 40 0 HGABRO CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@H]2Cc1ccccc1)Cc1cccnc1 ZINC000257226147 568783742 /nfs/dbraw/zinc/78/37/42/568783742.db2.gz FJHYKTVSQXBCNG-TYUWDEHNSA-N 1 0 418.585 3.256 40 0 HGABRO CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1)Cc1ccccn1 ZINC000257259812 568792870 /nfs/dbraw/zinc/79/28/70/568792870.db2.gz LAECHXGSPBECOW-CAIUVPPLSA-N 1 0 418.585 3.256 40 0 HGABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(S(=O)(=O)c1cccnc1)[C@H]2Cc1ccccc1 ZINC000257261292 568793290 /nfs/dbraw/zinc/79/32/90/568793290.db2.gz LGOZKAQNANQFTE-FADBTOOJSA-N 1 0 411.571 3.329 40 0 HGABRO C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H]1c1ccnc(-c2ccccn2)n1 ZINC000257265102 568794289 /nfs/dbraw/zinc/79/42/89/568794289.db2.gz LXIDCWQQVTUXNJ-NRFANRHFSA-N 1 0 417.513 3.456 40 0 HGABRO O=C(CC1CCCC1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257297164 568803573 /nfs/dbraw/zinc/80/35/73/568803573.db2.gz RGDVKRGDRHSROD-VDKIKQQVSA-N 1 0 414.590 3.257 40 0 HGABRO COc1cc2c(cc1C[N@@H+]1CC[C@H](c3n[nH]cc3-c3ccnc(N)c3)C1)OCCCO2 ZINC000257319225 568810087 /nfs/dbraw/zinc/81/00/87/568810087.db2.gz VRJRGUXSSZWPTA-INIZCTEOSA-N 1 0 421.501 3.213 40 0 HGABRO CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCC[NH2+]2)nc(C2CC2)n1 ZINC000257343040 568817106 /nfs/dbraw/zinc/81/71/06/568817106.db2.gz ZRFGVPVQNXNKHL-RTBURBONSA-N 1 0 404.518 3.029 40 0 HGABRO Cc1ncsc1C[NH+]1CCC2(CCc3nnc(C(=O)NCCC(C)C)n3C2)CC1 ZINC000306125685 568888371 /nfs/dbraw/zinc/88/83/71/568888371.db2.gz CXYOIMPIBNISPH-UHFFFAOYSA-N 1 0 416.595 3.048 40 0 HGABRO Cn1nccc1[C@@H]1C[N@H+](Cc2cccs2)C[C@]12CCCN(Cc1cccnc1)C2=O ZINC000306126110 568888854 /nfs/dbraw/zinc/88/88/54/568888854.db2.gz DNCIVUHKCKJDPN-NZQKXSOJSA-N 1 0 421.570 3.285 40 0 HGABRO c1cnc2c(c1)N(Cc1cccnc1)C[C@@]21CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000306126889 568889661 /nfs/dbraw/zinc/88/96/61/568889661.db2.gz FICHGSWVHOYGGL-DEOSSOPVSA-N 1 0 400.482 3.369 40 0 HGABRO Cc1cc(C)cc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306128935 568891711 /nfs/dbraw/zinc/89/17/11/568891711.db2.gz HORGDPWUYAHXHE-UXHICEINSA-N 1 0 401.514 3.452 40 0 HGABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccccc3Cl)C[C@H]1C2 ZINC000306131037 568893426 /nfs/dbraw/zinc/89/34/26/568893426.db2.gz JVFRVUVEBYCXLK-SJORKVTESA-N 1 0 407.905 3.488 40 0 HGABRO Cc1cc(C)cc(C[N@H+]2CC[C@]3(C2)COCc2cnc(NCc4cncn4C)nc23)c1 ZINC000306132618 568894825 /nfs/dbraw/zinc/89/48/25/568894825.db2.gz LNXAELIPEHSISL-DEOSSOPVSA-N 1 0 418.545 3.113 40 0 HGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccco3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306133218 568895359 /nfs/dbraw/zinc/89/53/59/568895359.db2.gz MFKDTSHKJNOXDP-ZJSXRUAMSA-N 1 0 419.529 3.470 40 0 HGABRO CC(C)N1CC2(CC[NH+](Cc3ccncc3)CC2)COc2ccccc2S1(=O)=O ZINC000306135267 568897241 /nfs/dbraw/zinc/89/72/41/568897241.db2.gz OMCGKTKBPVTMGN-UHFFFAOYSA-N 1 0 415.559 3.156 40 0 HGABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306136293 568898226 /nfs/dbraw/zinc/89/82/26/568898226.db2.gz PPAOJJOCTQWQIC-HXUWFJFHSA-N 1 0 401.518 3.455 40 0 HGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3cnn(C(C)C)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136925 568898600 /nfs/dbraw/zinc/89/86/00/568898600.db2.gz QGVMCKNBZDVLLY-XUZZJYLKSA-N 1 0 424.593 3.470 40 0 HGABRO COCCN1CC[C@@]2(C[N@H+](Cc3sccc3C)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306136873 568898658 /nfs/dbraw/zinc/89/86/58/568898658.db2.gz QFJZHKJMBUTWRL-GCJKJVERSA-N 1 0 416.591 3.298 40 0 HGABRO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000306137086 568898921 /nfs/dbraw/zinc/89/89/21/568898921.db2.gz QLGFBIAQLNRSEE-JOCHJYFZSA-N 1 0 408.527 3.231 40 0 HGABRO c1ccc(CN2C[C@@]3(CC[N@H+](Cc4ccc5c(c4)OCO5)C3)c3ncccc32)nc1 ZINC000306137965 568899783 /nfs/dbraw/zinc/89/97/83/568899783.db2.gz RLFAQFUXVPTBLP-DEOSSOPVSA-N 1 0 400.482 3.369 40 0 HGABRO COCC(=O)N1Cc2sc(C(C)C)nc2C2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000306139045 568900935 /nfs/dbraw/zinc/90/09/35/568900935.db2.gz SNYHXZQUYXVBCE-UHFFFAOYSA-N 1 0 414.575 3.184 40 0 HGABRO Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218048626 568924786 /nfs/dbraw/zinc/92/47/86/568924786.db2.gz FDKSSCHDQAEKOZ-CNNODRBYSA-N 1 0 416.543 3.157 40 0 HGABRO COC[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218229064 568928525 /nfs/dbraw/zinc/92/85/25/568928525.db2.gz FZKUGDLVSLHEID-GBESFXJTSA-N 1 0 424.360 3.289 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000328989095 568971565 /nfs/dbraw/zinc/97/15/65/568971565.db2.gz IIUNCKQBZVKQKU-UHFFFAOYSA-N 1 0 420.414 3.257 40 0 HGABRO CC[C@@H](C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C(C)C)[nH+]1 ZINC000329024498 568973309 /nfs/dbraw/zinc/97/33/09/568973309.db2.gz PAHABTBNOVCCDW-CQSZACIVSA-N 1 0 403.552 3.021 40 0 HGABRO OCCCNc1cc(N2CCc3ccc(Br)cc3C2)nc(C2CC2)[nH+]1 ZINC000329065457 568975243 /nfs/dbraw/zinc/97/52/43/568975243.db2.gz XRVBTHWUAHOZOV-UHFFFAOYSA-N 1 0 403.324 3.474 40 0 HGABRO COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000009062952 569342233 /nfs/dbraw/zinc/34/22/33/569342233.db2.gz QYKIPXKOEYWALF-UHFFFAOYSA-N 1 0 424.497 3.419 40 0 HGABRO Cc1cc2nc([C@@H]3CCC[N@@H+](C[C@H](C)Cc4ccc5c(c4)OCO5)C3)cc(N)n2n1 ZINC000012185924 569344600 /nfs/dbraw/zinc/34/46/00/569344600.db2.gz CSUSDDAYRNWWRA-CRAIPNDOSA-N 1 0 407.518 3.407 40 0 HGABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@H+](Cc3ncccc3C)C1)O2 ZINC000012135361 569344651 /nfs/dbraw/zinc/34/46/51/569344651.db2.gz MPNYCVGVKOFFCV-YADARESESA-N 1 0 409.530 3.420 40 0 HGABRO C[NH+](C)Cc1cnc2ccnn2c1CC1CCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000019704728 569347810 /nfs/dbraw/zinc/34/78/10/569347810.db2.gz HRYVAHXNJGRAQF-UHFFFAOYSA-N 1 0 423.536 3.344 40 0 HGABRO COc1ccccc1CNC(=O)c1cc([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)n[nH]1 ZINC000019707789 569347940 /nfs/dbraw/zinc/34/79/40/569347940.db2.gz KRMFZNQKCMIXNR-SFHVURJKSA-N 1 0 408.477 3.477 40 0 HGABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 ZINC000019760826 569348905 /nfs/dbraw/zinc/34/89/05/569348905.db2.gz BYBOFPGKKYAUDY-HXUWFJFHSA-N 1 0 406.534 3.040 40 0 HGABRO CN(C)c1ccc(CCC(=O)N(C)Cc2cc(N(C)C)nc([C@H]3CCCC[NH2+]3)n2)cc1 ZINC000019709856 569428937 /nfs/dbraw/zinc/42/89/37/569428937.db2.gz SOYSBDLZXZWUDZ-OAQYLSRUSA-N 1 0 424.593 3.014 40 0 HGABRO CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2ccc3c(c2)OCO3)no1 ZINC000015673383 291234001 /nfs/dbraw/zinc/23/40/01/291234001.db2.gz OOSVPDNXKKEUCB-ROUUACIJSA-N 1 0 413.518 3.221 40 0 biogenic,in-vitro HGABRO S=C(NCc1ccco1)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCc2ccccc21 ZINC000008635726 291246241 /nfs/dbraw/zinc/24/62/41/291246241.db2.gz VYAFSBOIQHIZSY-XUVXKRRUSA-N 1 0 410.587 3.017 40 0 biogenic,in-vitro HGABRO Cc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000043277699 525131436 /nfs/dbraw/zinc/13/14/36/525131436.db2.gz KIEKGYIOMHWPFV-UHFFFAOYSA-N 1 0 403.530 3.474 40 0 HGABRO CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@@H+](C)CC[C@]513 ZINC000005561290 557661980 /nfs/dbraw/zinc/66/19/80/557661980.db2.gz CAHCBJPUTCKATP-FAWZKKEFSA-N 1 0 411.542 3.164 40 0 HGABRO Fc1ccccc1[C@@H](c1nnnn1Cc1ccco1)N1CC[NH+](C2CCCCC2)CC1 ZINC000035291465 557678765 /nfs/dbraw/zinc/67/87/65/557678765.db2.gz HWSXXKXNLPWJOI-QFIPXVFZSA-N 1 0 424.524 3.493 40 0 HGABRO C[C@@H](CC[NH+]1CCC(Cc2nn(C)cc2C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000019756406 558274366 /nfs/dbraw/zinc/27/43/66/558274366.db2.gz PGOOJKVOQWJEAV-FQEVSTJZSA-N 1 0 424.589 3.341 40 0 HGABRO COc1ccc(NC(=O)c2cnc(C3CC[NH+](Cc4cnn(C)c4)CC3)nc2C)cc1 ZINC000019763849 558277635 /nfs/dbraw/zinc/27/76/35/558277635.db2.gz NQUXLPRLYQZQEL-UHFFFAOYSA-N 1 0 420.517 3.159 40 0 HGABRO Cc1ccc2occ(C[N@H+]3C[C@H]4[C@H](CC[C@@]45Nc4ccccc4C(=O)N5)C3)c(=O)c2c1 ZINC000012086059 558321627 /nfs/dbraw/zinc/32/16/27/558321627.db2.gz IINMONJLUSTBPW-BXEPQMNJSA-N 1 0 415.493 3.495 40 0 HGABRO CC(=O)N1c2ccc([C@H](O)C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@@H]1C ZINC000012146834 558338047 /nfs/dbraw/zinc/33/80/47/558338047.db2.gz VLOYFEDSIKUYRS-QMHKHESXSA-N 1 0 412.505 3.140 40 0 HGABRO CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNCC[NH+]3CCCC3)cc12 ZINC000022916081 558521678 /nfs/dbraw/zinc/52/16/78/558521678.db2.gz RWOQJQLOYKBJTQ-UHFFFAOYSA-N 1 0 411.525 3.336 40 0 HGABRO O=S1(=O)N[C@@H](C2CC[NH+](Cc3ccc4ccccc4n3)CC2)Nc2ccccc21 ZINC000013267684 558528439 /nfs/dbraw/zinc/52/84/39/558528439.db2.gz SXBNCQWACWQORJ-QFIPXVFZSA-N 1 0 408.527 3.177 40 0 HGABRO OCC[NH2+]CCNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000023468454 558559176 /nfs/dbraw/zinc/55/91/76/558559176.db2.gz YNZLIFVEWURYIA-UHFFFAOYSA-N 1 0 413.743 3.353 40 0 HGABRO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000013670172 558561695 /nfs/dbraw/zinc/56/16/95/558561695.db2.gz FLEDTDDXXJYLCJ-KRWDZBQOSA-N 1 0 415.559 3.119 40 0 HGABRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000027961132 558685221 /nfs/dbraw/zinc/68/52/21/558685221.db2.gz AQMXCVVPDXHLSP-UHFFFAOYSA-N 1 0 422.934 3.201 40 0 HGABRO CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccc(Cl)cc4)CC3)ccc21 ZINC000036741204 558802121 /nfs/dbraw/zinc/80/21/21/558802121.db2.gz ZJCXWGMWMPQSNS-QHCPKHFHSA-N 1 0 413.949 3.495 40 0 HGABRO Cc1nc2n(c(=O)c1C)CN(CCC[NH+](C)C)CN2c1cccc(C(F)(F)F)c1 ZINC000038830017 558816377 /nfs/dbraw/zinc/81/63/77/558816377.db2.gz LTGYFPRPJWFDHS-UHFFFAOYSA-N 1 0 409.456 3.199 40 0 HGABRO COc1ccc(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1OC ZINC000038848990 558818465 /nfs/dbraw/zinc/81/84/65/558818465.db2.gz ZZALJISUWMLLLJ-IBGZPJMESA-N 1 0 400.494 3.414 40 0 HGABRO COc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1OC ZINC000038848989 558818489 /nfs/dbraw/zinc/81/84/89/558818489.db2.gz ZZALJISUWMLLLJ-LJQANCHMSA-N 1 0 400.494 3.414 40 0 HGABRO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cn(C)c4ccccc24)C3)c(OC)n1 ZINC000019290440 558863021 /nfs/dbraw/zinc/86/30/21/558863021.db2.gz FLQMGEYOBBVKKC-QLCVBSLISA-N 1 0 422.529 3.105 40 0 HGABRO O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019342824 558872252 /nfs/dbraw/zinc/87/22/52/558872252.db2.gz PTDQZZYKYTZHSZ-GOSISDBHSA-N 1 0 412.559 3.500 40 0 HGABRO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1ccccc1C(F)(F)F)CC2 ZINC000019349420 558875158 /nfs/dbraw/zinc/87/51/58/558875158.db2.gz MYXLMDDPQCLZNJ-UHFFFAOYSA-N 1 0 400.404 3.452 40 0 HGABRO O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019400112 558882881 /nfs/dbraw/zinc/88/28/81/558882881.db2.gz DOXYTVWFKHFUAM-FQEVSTJZSA-N 1 0 407.518 3.245 40 0 HGABRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000019401460 558883533 /nfs/dbraw/zinc/88/35/33/558883533.db2.gz VKTVUTKMMNXJBY-JOCHJYFZSA-N 1 0 420.557 3.123 40 0 HGABRO Clc1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3nnc(-c4ccccn4)n3)C1)OCO2 ZINC000019403539 558884395 /nfs/dbraw/zinc/88/43/95/558884395.db2.gz IYGJTHJUKZQWHL-AWEZNQCLSA-N 1 0 412.881 3.029 40 0 HGABRO CC[C@H](C)C(=O)N1CCc2cc([C@H](O)C[N@@H+]3CCCN(c4ccccn4)CC3)ccc21 ZINC000019499897 558898129 /nfs/dbraw/zinc/89/81/29/558898129.db2.gz ZJHLLYIYFSJPRX-WMZHIEFXSA-N 1 0 422.573 3.263 40 0 HGABRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)ccc1OCC(N)=O ZINC000019532205 558912358 /nfs/dbraw/zinc/91/23/58/558912358.db2.gz FPAXNDWDPRRYCZ-GOSISDBHSA-N 1 0 408.502 3.205 40 0 HGABRO CCOc1cc2c(cc1C[NH+]1CCC([C@H](NC(C)=O)c3ccccn3)CC1)OCO2 ZINC000019532463 558912588 /nfs/dbraw/zinc/91/25/88/558912588.db2.gz FIJTWNJYYUADIV-QHCPKHFHSA-N 1 0 411.502 3.298 40 0 HGABRO COc1cc(C[NH+]2CCC([C@H]3CNC(=O)c4ccccc43)CC2)cc(OC)c1OC ZINC000019549692 558914452 /nfs/dbraw/zinc/91/44/52/558914452.db2.gz JJHXRAYUPDDPPC-HXUWFJFHSA-N 1 0 410.514 3.452 40 0 HGABRO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)ccc1OCCO ZINC000019550215 558914880 /nfs/dbraw/zinc/91/48/80/558914880.db2.gz SJMOLUVILMRCID-DETIRCLXSA-N 1 0 401.478 3.220 40 0 HGABRO COc1ccc(OC)c([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2ccccn2)c1 ZINC000019552630 558916084 /nfs/dbraw/zinc/91/60/84/558916084.db2.gz KDOUOYNXWVIIFN-JTHBVZDNSA-N 1 0 417.509 3.497 40 0 HGABRO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+](Cc4ccccn4)C3)no2)cc1 ZINC000019555854 558918551 /nfs/dbraw/zinc/91/85/51/558918551.db2.gz IZWYMLBUTMGGDL-SFHVURJKSA-N 1 0 406.486 3.388 40 0 HGABRO COc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)no2)c1 ZINC000019565635 558925495 /nfs/dbraw/zinc/92/54/95/558925495.db2.gz ADFZAJZXSAQZON-GOSISDBHSA-N 1 0 406.486 3.388 40 0 HGABRO COc1cccc(CNC(=O)c2cc([C@H]3CCC[N@H+](Cc4cccnc4)C3)no2)c1 ZINC000019565644 558925516 /nfs/dbraw/zinc/92/55/16/558925516.db2.gz ALTMLUWURLRLNJ-IBGZPJMESA-N 1 0 406.486 3.388 40 0 HGABRO Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C)CC3)C1 ZINC000019566121 558925811 /nfs/dbraw/zinc/92/58/11/558925811.db2.gz WCSXLYQSEGSFDW-OAHLLOKOSA-N 1 0 406.486 3.245 40 0 HGABRO Cc1cc(C)n(-c2cccc(C[N@H+](CCN3CCOCC3)Cc3cccnc3)c2)n1 ZINC000019574783 558932365 /nfs/dbraw/zinc/93/23/65/558932365.db2.gz RKFIXEUMYWRLPM-UHFFFAOYSA-N 1 0 405.546 3.219 40 0 HGABRO COCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000019593695 558944898 /nfs/dbraw/zinc/94/48/98/558944898.db2.gz RFZODOBJNQEZTI-NZSAHSFTSA-N 1 0 421.492 3.206 40 0 HGABRO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@H+](Cc4cnn(C)c4C)C3)c2)cn1 ZINC000072353655 558950588 /nfs/dbraw/zinc/95/05/88/558950588.db2.gz CDCGJMZTTBZIKR-LJQANCHMSA-N 1 0 418.545 3.233 40 0 HGABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+]2CCc2ccc(F)cc2)c1 ZINC000072354834 558951994 /nfs/dbraw/zinc/95/19/94/558951994.db2.gz GDWUNZBNZFXNAI-FQEVSTJZSA-N 1 0 405.477 3.343 40 0 HGABRO COc1cccc(CC[C@H]2CCCCN2C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000019662593 558953625 /nfs/dbraw/zinc/95/36/25/558953625.db2.gz IPZXJOSJUUNGMT-JOCHJYFZSA-N 1 0 422.573 3.470 40 0 HGABRO CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)C1CC[NH+](C)CC1 ZINC000019664514 558955079 /nfs/dbraw/zinc/95/50/79/558955079.db2.gz ACEROMBYJGTMEM-UHFFFAOYSA-N 1 0 415.607 3.467 40 0 HGABRO CC(=O)N1CCC([N@@H+]2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)CC1 ZINC000072371677 558958724 /nfs/dbraw/zinc/95/87/24/558958724.db2.gz WLELJOHRGWUQHE-KRWDZBQOSA-N 1 0 416.953 3.485 40 0 HGABRO C[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCN(S(=O)(=O)Cc2ccccc2)CC3)C1 ZINC000585104252 559026834 /nfs/dbraw/zinc/02/68/34/559026834.db2.gz OSIPRLPMLDMORB-PZJWPPBQSA-N 1 0 406.592 3.119 40 0 HGABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)cc1F ZINC000585104607 559027137 /nfs/dbraw/zinc/02/71/37/559027137.db2.gz RJTNYKKYGPPIDW-NJDAHSKKSA-N 1 0 418.553 3.381 40 0 HGABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052818 559092525 /nfs/dbraw/zinc/09/25/25/559092525.db2.gz AVVVUDJGWCYVSE-NRFANRHFSA-N 1 0 405.542 3.352 40 0 HGABRO Cc1cccc(NC(=O)c2c3ccccn3c3ncnc(N4CC[NH+](C)CC4)c32)c1 ZINC000096146737 559098027 /nfs/dbraw/zinc/09/80/27/559098027.db2.gz DKZNXIANWVHZEN-UHFFFAOYSA-N 1 0 400.486 3.195 40 0 HGABRO CC(C)[C@H](C)NC(=O)c1cnc(-c2noc3cc(N4CC[NH+](C)CC4)ccc32)s1 ZINC000096154605 559098993 /nfs/dbraw/zinc/09/89/93/559098993.db2.gz HLSQYZIUACHHMN-AWEZNQCLSA-N 1 0 413.547 3.477 40 0 HGABRO COCC[N@H+](C)C[C@H]1CO[C@@]2(C1)CCCN(C(=O)c1ccc(-n3cccc3)cc1)C2 ZINC000096228484 559102702 /nfs/dbraw/zinc/10/27/02/559102702.db2.gz MMBOYRGCCJLLQY-GBXCKJPGSA-N 1 0 411.546 3.067 40 0 HGABRO CS(=O)(=O)N1CCCC[C@H]2C[N@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@H]21 ZINC000585285392 559121549 /nfs/dbraw/zinc/12/15/49/559121549.db2.gz YDZNDZZCOCJCSG-MYDTUXCISA-N 1 0 420.619 3.211 40 0 HGABRO CN1CC[NH+](C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000226069738 559272746 /nfs/dbraw/zinc/27/27/46/559272746.db2.gz XDQAOYDICZGYIY-OAQYLSRUSA-N 1 0 406.611 3.404 40 0 HGABRO COc1cc(C[N@H+](C)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCCO ZINC000257281939 559285393 /nfs/dbraw/zinc/28/53/93/559285393.db2.gz OROJXPXWYWZJHP-HXUWFJFHSA-N 1 0 412.530 3.131 40 0 HGABRO O=C(C[NH+]1CCCCC1)N1CCC[C@H](c2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 ZINC000004908505 560617942 /nfs/dbraw/zinc/61/79/42/560617942.db2.gz WOIMYENWHHYGKA-HNNXBMFYSA-N 1 0 414.575 3.055 40 0 HGABRO CCOCC[NH+]1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn42)CCC3)CC1 ZINC000004966864 560621787 /nfs/dbraw/zinc/62/17/87/560621787.db2.gz UTYXFVGFZATRSU-UHFFFAOYSA-N 1 0 409.509 3.183 40 0 HGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccccc2)cc1 ZINC000409059432 560670968 /nfs/dbraw/zinc/67/09/68/560670968.db2.gz NFZLFGAHROXXHS-AYHYUOJHSA-O 1 0 414.485 3.020 40 0 HGABRO Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409055244 560671568 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/nfs/dbraw/zinc/67/28/06/560672806.db2.gz BMOJUHRJCJKIAF-MAEDJNRBSA-O 1 0 422.867 3.495 40 0 HGABRO O=C(NCCCn1ccnc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000100619420 560725675 /nfs/dbraw/zinc/72/56/75/560725675.db2.gz KEOOPWCVXLHHMW-SWLSCSKDSA-N 1 0 408.384 3.153 40 0 HGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](C5CCCCC5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022456936 568486352 /nfs/dbraw/zinc/48/63/52/568486352.db2.gz FXYPTAKKGKQTFF-RIVFAIMISA-N 1 0 416.606 3.222 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 ZINC000223212312 568541166 /nfs/dbraw/zinc/54/11/66/568541166.db2.gz OHHHFYAQOIDZFC-RTWAWAEBSA-N 1 0 406.559 3.192 40 0 HGABRO COCC[N@H+](C)C[C@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc(-n3cccc3)cc1)C2 ZINC000247995118 568747034 /nfs/dbraw/zinc/74/70/34/568747034.db2.gz MMBOYRGCCJLLQY-RDPSFJRHSA-N 1 0 411.546 3.067 40 0 HGABRO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000257210644 568779219 /nfs/dbraw/zinc/77/92/19/568779219.db2.gz BVOVFBSNFWDQJB-XMMPIXPASA-N 1 0 402.498 3.075 40 0 HGABRO C[NH+](C)[C@H]1CC2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)OC[C@]1(C)O ZINC000257218748 568781587 /nfs/dbraw/zinc/78/15/87/568781587.db2.gz DEHOHSADDPXJON-UNMCSNQZSA-N 1 0 416.493 3.162 40 0 HGABRO CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@H]2Cc1ccccc1)Cc1ccccn1 ZINC000257259813 568792940 /nfs/dbraw/zinc/79/29/40/568792940.db2.gz LAECHXGSPBECOW-TYUWDEHNSA-N 1 0 418.585 3.256 40 0 HGABRO Cn1cc(C[N@@H+]2CC[C@@H](c3ccnc(Nc4cc(C(F)(F)F)ccn4)n3)C2)cn1 ZINC000257300429 568804442 /nfs/dbraw/zinc/80/44/42/568804442.db2.gz RUFGKEIRGHNZKP-CQSZACIVSA-N 1 0 403.412 3.357 40 0 HGABRO Cc1ncc(-c2cncc(C[C@H]3CCCN(C(=O)c4ccc5[nH]cnc5c4)C3)n2)n1C ZINC000257312745 568807895 /nfs/dbraw/zinc/80/78/95/568807895.db2.gz UPIYREZAXTYAHY-MRXNPFEDSA-N 1 0 415.501 3.157 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218639320 568885719 /nfs/dbraw/zinc/88/57/19/568885719.db2.gz DJLLEEVARYHFGM-ZJOUEHCJSA-N 1 0 421.946 3.350 40 0 HGABRO COc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccnc4OC)C2)OC3)cc1 ZINC000306123077 568886236 /nfs/dbraw/zinc/88/62/36/568886236.db2.gz ADZJUISSVYPBIX-QHCPKHFHSA-N 1 0 406.486 3.137 40 0 HGABRO CN1CC2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2nn(CC3CCC3)cc2C1=O ZINC000306125457 568888244 /nfs/dbraw/zinc/88/82/44/568888244.db2.gz CRQUOHWFNINJQR-UHFFFAOYSA-N 1 0 422.529 3.031 40 0 HGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccccc3)C[C@]23OCCN(CC2CCC2)C3=O)c1 ZINC000306126031 568888587 /nfs/dbraw/zinc/88/85/87/568888587.db2.gz DKBHTDLNPCYXGE-RDGATRHJSA-N 1 0 422.573 3.461 40 0 HGABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4cccc(C)c4)C[C@H]2C3)cc1 ZINC000306128030 568890718 /nfs/dbraw/zinc/89/07/18/568890718.db2.gz GOFMJAADXKARMN-RTBURBONSA-N 1 0 417.513 3.152 40 0 HGABRO CC(C)N1CC2(CC[NH+](Cc3cccnc3)CC2)COc2ccccc2S1(=O)=O ZINC000306131767 568893858 /nfs/dbraw/zinc/89/38/58/568893858.db2.gz KPGQNJHHZQNHQH-UHFFFAOYSA-N 1 0 415.559 3.156 40 0 HGABRO COc1ncccc1C[N@@H+]1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136336 568898239 /nfs/dbraw/zinc/89/82/39/568898239.db2.gz PQIVDAGKHXRGNV-HYBUGGRVSA-N 1 0 423.561 3.096 40 0 HGABRO Cn1c(C(=O)NC[C@@H]2CC3(CC[NH+](CCC(F)(F)F)CC3)O2)cc2ccccc21 ZINC000306138718 568900664 /nfs/dbraw/zinc/90/06/64/568900664.db2.gz SFPJHMTVCUODIP-INIZCTEOSA-N 1 0 409.452 3.484 40 0 HGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccoc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306141155 568902693 /nfs/dbraw/zinc/90/26/93/568902693.db2.gz VMRUAEYDKAPYQI-XUZZJYLKSA-N 1 0 419.529 3.470 40 0 HGABRO Cc1nc2c(n1C(C)C)CN(C(=O)c1cnccn1)CC21CC[NH+](CC(C)C)CC1 ZINC000306141016 568902891 /nfs/dbraw/zinc/90/28/91/568902891.db2.gz VJAJESHWFPCUMN-UHFFFAOYSA-N 1 0 410.566 3.208 40 0 HGABRO CC(C)NC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000306142334 568903951 /nfs/dbraw/zinc/90/39/51/568903951.db2.gz WWFHOLASKXGITC-UHFFFAOYSA-N 1 0 401.942 3.298 40 0 HGABRO O=C(CCn1cc(Br)cn1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000002739601 568931761 /nfs/dbraw/zinc/93/17/61/568931761.db2.gz BHKXOTZPMMDKLZ-UHFFFAOYSA-N 1 0 421.383 3.005 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccncc2)n1 ZINC000328967235 568970336 /nfs/dbraw/zinc/97/03/36/568970336.db2.gz CRTFKNDZYMNHNW-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2c(F)cccc2Cl)cc(-c2ccccn2)n1 ZINC000328971259 568970533 /nfs/dbraw/zinc/97/05/33/568970533.db2.gz DPENVCJSFTXMJO-UHFFFAOYSA-N 1 0 400.889 3.282 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccn2)n1 ZINC000328980011 568970963 /nfs/dbraw/zinc/97/09/63/568970963.db2.gz GKJZKXXILXJLLP-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO CCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328994427 568971740 /nfs/dbraw/zinc/97/17/40/568971740.db2.gz JDNXAQNNCGIVBB-UHFFFAOYSA-N 1 0 409.456 3.119 40 0 HGABRO Cc1c(Nc2cc(-c3ccncc3)nc(NCC[NH+](C)C)n2)cccc1C(F)(F)F ZINC000329049531 568974557 /nfs/dbraw/zinc/97/45/57/568974557.db2.gz UPKIHCQDHISFIZ-UHFFFAOYSA-N 1 0 416.451 3.427 40 0 HGABRO C[C@@H]1C[C@@H](OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)CC(C)(C)C1 ZINC000035088570 569047962 /nfs/dbraw/zinc/04/79/62/569047962.db2.gz DTSWGECSRZRXQY-HMXCVIKNSA-N 1 0 418.578 3.125 40 0 HGABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2cccc(Br)c2)CC1 ZINC000226258828 569278668 /nfs/dbraw/zinc/27/86/68/569278668.db2.gz LVUORHXFTFONBN-UHFFFAOYSA-N 1 0 403.324 3.426 40 0 HGABRO CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000226258972 569278699 /nfs/dbraw/zinc/27/86/99/569278699.db2.gz YBCXCWWKHQMTOZ-UHFFFAOYSA-N 1 0 403.324 3.426 40 0 HGABRO C[N@@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC000248130492 569316399 /nfs/dbraw/zinc/31/63/99/569316399.db2.gz MZZPVTJYLKEASI-UWJYYQICSA-N 1 0 410.493 3.032 40 0 HGABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccccc2NC(=O)c2nonc2N)C1 ZINC000019712199 569348250 /nfs/dbraw/zinc/34/82/50/569348250.db2.gz BCQYKTSMQPROGX-OLMNPRSZSA-N 1 0 401.511 3.491 40 0 HGABRO [NH3+][C@H](C(=O)NCC1CCC(c2ccnc(Nc3cnccn3)n2)CC1)c1ccccc1 ZINC000072380008 569352526 /nfs/dbraw/zinc/35/25/26/569352526.db2.gz UYJWXRUVRXCYAF-BPZDKFOGSA-N 1 0 417.517 3.100 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000252516468 569388091 /nfs/dbraw/zinc/38/80/91/569388091.db2.gz SRMQAWYJNWDINO-QWFCFKBJSA-N 1 0 407.919 3.096 40 0 HGABRO Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O ZINC000009358147 569392553 /nfs/dbraw/zinc/39/25/53/569392553.db2.gz QYKFPSKFNDXJHN-GKAYAJSDSA-N 1 0 421.884 3.080 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2F)cc(-c2cccnc2)n1 ZINC000329006772 524055796 /nfs/dbraw/zinc/05/57/96/524055796.db2.gz LEKNJDRADAZMMF-UHFFFAOYSA-N 1 0 400.889 3.282 40 0 HGABRO O=C(NCc1cccnc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000034684070 557015927 /nfs/dbraw/zinc/01/59/27/557015927.db2.gz AALUGVZFLFKGHB-UHFFFAOYSA-N 1 0 400.526 3.329 40 0 HGABRO Cn1c(SCC[NH+]2CCCC2)nnc1[C@H]1CCCN1C(=O)NC1CCCCC1 ZINC000005001592 557623853 /nfs/dbraw/zinc/62/38/53/557623853.db2.gz URMJFPBBJRRFSF-QGZVFWFLSA-N 1 0 406.600 3.182 40 0 HGABRO COc1ccccc1OCC[NH2+]C[C@H](O)COc1c2c(ccc1O)[nH]c1ccccc12 ZINC000006019299 557684347 /nfs/dbraw/zinc/68/43/47/557684347.db2.gz RWDSIYCVHJZURY-INIZCTEOSA-N 1 0 422.481 3.444 40 0 in-vitro HGABRO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCC(=O)NC(C)(C)C ZINC000006882461 557728613 /nfs/dbraw/zinc/72/86/13/557728613.db2.gz XECRLQRXDZSPNG-UHFFFAOYSA-N 1 0 400.475 3.007 40 0 HGABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ccc4c(C)nn(C)c4n3)C1)OCCO2 ZINC000019742504 558263044 /nfs/dbraw/zinc/26/30/44/558263044.db2.gz GJCBPPIJSHTOMO-MRXNPFEDSA-N 1 0 408.502 3.436 40 0 HGABRO Cn1cc(C(=O)NCc2ccccc2)c(CC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000019759140 558275583 /nfs/dbraw/zinc/27/55/83/558275583.db2.gz LWHRUYCLLVBDMJ-UHFFFAOYSA-N 1 0 403.530 3.200 40 0 HGABRO COCCNC(=O)c1cc([C@H]2CC[N@H+](Cc3cnc(C)s3)C2)nc2ccccc21 ZINC000019761106 558276355 /nfs/dbraw/zinc/27/63/55/558276355.db2.gz FOPLOHYKAYHPLI-INIZCTEOSA-N 1 0 410.543 3.365 40 0 HGABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccn3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763532 558277611 /nfs/dbraw/zinc/27/76/11/558277611.db2.gz IIUXONHOYKIPES-FQEVSTJZSA-N 1 0 401.514 3.490 40 0 HGABRO CC(=O)N1c2ccc([C@H](O)C[NH+]3CCC(O)(c4ccccc4F)CC3)cc2C[C@H]1C ZINC000012146829 558338106 /nfs/dbraw/zinc/33/81/06/558338106.db2.gz ZGOICTZVXJJBKG-WAIKUNEKSA-N 1 0 412.505 3.140 40 0 HGABRO Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]C[C@H]3Cc4ccccc4O3)cc12 ZINC000012186197 558345429 /nfs/dbraw/zinc/34/54/29/558345429.db2.gz KDCSJSDHTWCQRG-LJQANCHMSA-N 1 0 404.445 3.255 40 0 HGABRO CCOc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(OC)ccc2O3)cc1 ZINC000012293669 558367055 /nfs/dbraw/zinc/36/70/55/558367055.db2.gz GFTZFYRDDBMVNZ-VXKWHMMOSA-N 1 0 413.514 3.478 40 0 HGABRO O=C(COc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1)N1CCCC1 ZINC000012363522 558387494 /nfs/dbraw/zinc/38/74/94/558387494.db2.gz IPDJWWFUMIRRHD-UHFFFAOYSA-N 1 0 412.505 3.311 40 0 HGABRO C[NH+]1CCN(CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)CC1 ZINC000022525394 558495681 /nfs/dbraw/zinc/49/56/81/558495681.db2.gz JWMHWIXNIKLQIH-UHFFFAOYSA-N 1 0 406.574 3.007 40 0 HGABRO COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000039766657 558686094 /nfs/dbraw/zinc/68/60/94/558686094.db2.gz HJLHJAVLWCEFIV-UHFFFAOYSA-N 1 0 424.497 3.419 40 0 HGABRO CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000036741186 558801797 /nfs/dbraw/zinc/80/17/97/558801797.db2.gz SBTNUWYLAXYPAN-QHCPKHFHSA-N 1 0 413.949 3.495 40 0 HGABRO CCOc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc3c(c2)CCCN3C(C)=O)CC1 ZINC000036741206 558802061 /nfs/dbraw/zinc/80/20/61/558802061.db2.gz MZZZGUYQWVULCU-XMMPIXPASA-N 1 0 423.557 3.240 40 0 HGABRO Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCC[N@H+](CC(=O)N3CCCCC3)C2)on1 ZINC000019124137 558844251 /nfs/dbraw/zinc/84/42/51/558844251.db2.gz PBEAILRRQULQKS-SFHVURJKSA-N 1 0 422.533 3.193 40 0 HGABRO Cc1ccc2nc(C)cc(OCC(=O)N(C[C@@H]3CCCO3)C3CC[NH+](C)CC3)c2c1 ZINC000019220594 558851811 /nfs/dbraw/zinc/85/18/11/558851811.db2.gz SRJDQXKVHSKGNV-FQEVSTJZSA-N 1 0 411.546 3.332 40 0 HGABRO Cn1cc(C[NH+]2CCC([C@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)cn1 ZINC000019290646 558863039 /nfs/dbraw/zinc/86/30/39/558863039.db2.gz HCRBDQOGQAKXDQ-DEOSSOPVSA-N 1 0 403.530 3.127 40 0 HGABRO COc1ccc(-c2ncc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3nccn3C)cn2)cc1 ZINC000019291427 558863797 /nfs/dbraw/zinc/86/37/97/558863797.db2.gz UMOMKFSCMBIINW-VXMMSVGHSA-N 1 0 419.529 3.005 40 0 HGABRO Fc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 ZINC000019335945 558869966 /nfs/dbraw/zinc/86/99/66/558869966.db2.gz GJAXCHXPNKGDKI-RRQGHBQHSA-N 1 0 413.419 3.496 40 0 HGABRO O=C(C1CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccs1)CC2 ZINC000019343558 558872518 /nfs/dbraw/zinc/87/25/18/558872518.db2.gz JILCOQIQHRYDQX-IBGZPJMESA-N 1 0 412.559 3.243 40 0 HGABRO O=C(NC1CCCC1)c1ccc2c(c1)nc1n(c2=O)CC[N@H+](Cc2ccccc2)CC1 ZINC000019372420 558879439 /nfs/dbraw/zinc/87/94/39/558879439.db2.gz IFLCXNWDWPWKCH-UHFFFAOYSA-N 1 0 416.525 3.127 40 0 HGABRO O=C(NC[C@H]1CCCOC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372549 558879929 /nfs/dbraw/zinc/87/99/29/558879929.db2.gz RPXAZOUXKVXVAR-UEVCKROQSA-N 1 0 424.516 3.299 40 0 HGABRO O=C(Cc1cccnc1)N1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019375583 558881699 /nfs/dbraw/zinc/88/16/99/558881699.db2.gz NZHWJVLTQLSUHL-UHFFFAOYSA-N 1 0 421.541 3.059 40 0 HGABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000019404210 558884481 /nfs/dbraw/zinc/88/44/81/558884481.db2.gz BAJDLLXLZXJYKP-SIKLNZKXSA-N 1 0 422.577 3.426 40 0 HGABRO CC(C)CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019446950 558886441 /nfs/dbraw/zinc/88/64/41/558886441.db2.gz AYVYPKLGBIFYDA-VXKWHMMOSA-N 1 0 421.589 3.455 40 0 HGABRO CC(C)[N@@H+]1CCC[C@H](c2cc(=O)[nH]c(C3CCN(C(=O)Cc4ccccc4)CC3)n2)C1 ZINC000019447932 558886698 /nfs/dbraw/zinc/88/66/98/558886698.db2.gz OZAKETUIVUDSGL-NRFANRHFSA-N 1 0 422.573 3.306 40 0 HGABRO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccc(O)cc4)CC3)ccc21 ZINC000057811750 558890990 /nfs/dbraw/zinc/89/09/90/558890990.db2.gz LBZBLIUNEQEHEQ-DEOSSOPVSA-N 1 0 423.557 3.183 40 0 HGABRO CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4cc(C)ccc4C)CC3)ccc21 ZINC000057811733 558891016 /nfs/dbraw/zinc/89/10/16/558891016.db2.gz WPUGREDALRTAPX-VWLOTQADSA-N 1 0 407.558 3.458 40 0 HGABRO COc1ccc(C[NH+]2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000019497330 558896236 /nfs/dbraw/zinc/89/62/36/558896236.db2.gz XNPVNHNHCLHSGT-IAGOWNOFSA-N 1 0 412.534 3.047 40 0 HGABRO CCCOc1c(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)cccc1OC ZINC000019503806 558900867 /nfs/dbraw/zinc/90/08/67/558900867.db2.gz GZAXKRNQCJBMIL-RJGXRXQPSA-N 1 0 410.558 3.346 40 0 HGABRO Cc1c(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NCc4cccc(F)c4)on3)C2)cnn1C ZINC000019553690 558916758 /nfs/dbraw/zinc/91/67/58/558916758.db2.gz BCMWSZZZIGSPSF-QGZVFWFLSA-N 1 0 411.481 3.165 40 0 HGABRO COc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000019556858 558919188 /nfs/dbraw/zinc/91/91/88/558919188.db2.gz UDWVVUKKNOGQSJ-JCGIZDLHSA-N 1 0 407.465 3.068 40 0 HGABRO Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)s1 ZINC000019560126 558921119 /nfs/dbraw/zinc/92/11/19/558921119.db2.gz DBQXNMQKOYMEFT-KRWDZBQOSA-N 1 0 415.563 3.389 40 0 HGABRO [NH3+][C@H](Cc1ccccc1)C(=O)N1Cc2cc(Cl)ccc2OC2(CCOCC2)C1 ZINC000072334287 558935333 /nfs/dbraw/zinc/93/53/33/558935333.db2.gz SIFQOAHLRXEASW-LJQANCHMSA-N 1 0 400.906 3.180 40 0 HGABRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1Cc2cc(Cl)ccc2OC2(CCOCC2)C1 ZINC000072334286 558935347 /nfs/dbraw/zinc/93/53/47/558935347.db2.gz SIFQOAHLRXEASW-IBGZPJMESA-N 1 0 400.906 3.180 40 0 HGABRO Cc1nn(C)cc1C[NH+]1CCC(O)(Cn2cccc3cc(C(F)(F)F)nc2-3)CC1 ZINC000019583755 558937955 /nfs/dbraw/zinc/93/79/55/558937955.db2.gz GRZBFPHVKXMYGP-UHFFFAOYSA-N 1 0 407.440 3.076 40 0 HGABRO C[N@@H+]1CCCC[C@H]1CC(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 ZINC000019588869 558940176 /nfs/dbraw/zinc/94/01/76/558940176.db2.gz NWLKHWWXTZAKQC-INIZCTEOSA-N 1 0 410.547 3.059 40 0 HGABRO CNc1nc(C2CC[NH+](Cc3ccc(C)cc3OC)CC2)nc2c1CN(C(C)=O)CC2 ZINC000072372280 558959528 /nfs/dbraw/zinc/95/95/28/558959528.db2.gz XRTNHCRUISGEHQ-UHFFFAOYSA-N 1 0 423.561 3.120 40 0 HGABRO CCOCc1ccc(C(=O)N2CCc3nc([C@@H]4CCC[N@H+](C)C4)nc(NC)c3C2)cc1 ZINC000072372300 558959739 /nfs/dbraw/zinc/95/97/39/558959739.db2.gz XMHWAMNROYLKAP-LJQANCHMSA-N 1 0 423.561 3.063 40 0 HGABRO CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CC[NH+](C3CCCC3)CC2)C1 ZINC000072372434 558959907 /nfs/dbraw/zinc/95/99/07/558959907.db2.gz GTLCCBPJLIFCEI-NRFANRHFSA-N 1 0 411.590 3.465 40 0 HGABRO C[NH+](C)CC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1 ZINC000072377180 558966514 /nfs/dbraw/zinc/96/65/14/558966514.db2.gz UERBNJJDXNBNPK-INIZCTEOSA-N 1 0 407.440 3.360 40 0 HGABRO COc1cc(C[NH2+]Cc2cc(-c3ccccc3)cn3nnnc23)cc(OC)c1OC ZINC000072392325 558972095 /nfs/dbraw/zinc/97/20/95/558972095.db2.gz DRLJQOTXKGRWOW-UHFFFAOYSA-N 1 0 405.458 3.107 40 0 HGABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C1)OCO2 ZINC000072393271 558972616 /nfs/dbraw/zinc/97/26/16/558972616.db2.gz CVOLSSIDFMAHPS-MRXNPFEDSA-N 1 0 404.470 3.249 40 0 HGABRO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000585106263 559028588 /nfs/dbraw/zinc/02/85/88/559028588.db2.gz ZYWANFCSTFJHQT-SJORKVTESA-N 1 0 421.944 3.178 40 0 HGABRO Cc1ccc(C[NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)s1 ZINC000096037132 559090921 /nfs/dbraw/zinc/09/09/21/559090921.db2.gz XXMWTERNOJNIIS-UHFFFAOYSA-N 1 0 406.573 3.352 40 0 HGABRO CCN1CC2(CC[NH+](Cc3ccc(C)o3)CC2)COc2ccccc2S1(=O)=O ZINC000096037145 559090930 /nfs/dbraw/zinc/09/09/30/559090930.db2.gz JNIVMCVDYHBVIV-UHFFFAOYSA-N 1 0 404.532 3.273 40 0 HGABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052816 559092468 /nfs/dbraw/zinc/09/24/68/559092468.db2.gz QTVFLOQYCBZKDN-FQEVSTJZSA-N 1 0 405.542 3.352 40 0 HGABRO Cc1ccc(C(=O)N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)o1 ZINC000096052902 559092781 /nfs/dbraw/zinc/09/27/81/559092781.db2.gz XAZDCJSDSZCGMP-LJQANCHMSA-N 1 0 423.557 3.317 40 0 HGABRO COc1cccc(C[N@@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)c1 ZINC000096145488 559097297 /nfs/dbraw/zinc/09/72/97/559097297.db2.gz XNEXUAQZNKVVNE-FYYLOGMGSA-N 1 0 414.571 3.164 40 0 HGABRO CC(C)[C@@H](C)NC(=O)c1cnc(-c2noc3cc(N4CC[NH+](C)CC4)ccc32)s1 ZINC000096154604 559099022 /nfs/dbraw/zinc/09/90/22/559099022.db2.gz HLSQYZIUACHHMN-CQSZACIVSA-N 1 0 413.547 3.477 40 0 HGABRO O=C(NCc1cccc(F)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096239950 559103545 /nfs/dbraw/zinc/10/35/45/559103545.db2.gz BJKYFHYCPIEBFH-UHFFFAOYSA-N 1 0 412.509 3.045 40 0 HGABRO Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CCN(S(=O)(=O)N(C)C)CC3)C2)s1 ZINC000096242501 559104069 /nfs/dbraw/zinc/10/40/69/559104069.db2.gz FCYDHWHTKFRZRF-UHFFFAOYSA-N 1 0 419.616 3.212 40 0 HGABRO O=C(CCc1cccnc1)N1C[C@@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000096245526 559105056 /nfs/dbraw/zinc/10/50/56/559105056.db2.gz HLAUECMPDRJKBI-PSWAGMNNSA-N 1 0 418.585 3.069 40 0 HGABRO Cc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H]4CCCC[NH2+]4)CC3)n2)s1 ZINC000585263418 559111760 /nfs/dbraw/zinc/11/17/60/559111760.db2.gz IJUWOXMYYRLSLE-INIZCTEOSA-N 1 0 400.552 3.142 40 0 HGABRO Cc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@]4(C)CCC[NH2+]4)CC3)n2)s1 ZINC000585263488 559111929 /nfs/dbraw/zinc/11/19/29/559111929.db2.gz MRSCCZATIQAHHD-FQEVSTJZSA-N 1 0 400.552 3.142 40 0 HGABRO CN1CC[NH+](C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000226070447 559272770 /nfs/dbraw/zinc/27/27/70/559272770.db2.gz IZDRZBAVVYYVOH-FQEVSTJZSA-N 1 0 406.611 3.285 40 0 HGABRO COCCOc1cc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)ccc1OC ZINC000257205422 559282363 /nfs/dbraw/zinc/28/23/63/559282363.db2.gz AYYWJDKWVKQBKO-HSZRJFAPSA-N 1 0 401.503 3.126 40 0 HGABRO Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC3CCCCC3)cc2c1 ZINC000000880584 560539680 /nfs/dbraw/zinc/53/96/80/560539680.db2.gz VQPQBGHHOCKXFE-UHFFFAOYSA-N 1 0 400.592 3.407 40 0 HGABRO Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCc3ccccc3)cc2c1 ZINC000004133412 560600419 /nfs/dbraw/zinc/60/04/19/560600419.db2.gz WDYQBOUDPIHHHB-UHFFFAOYSA-N 1 0 408.571 3.275 40 0 HGABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NCc3ccco3)c(=O)[nH]c2c1C ZINC000004133495 560600537 /nfs/dbraw/zinc/60/05/37/560600537.db2.gz GODWGKMXXYDUFX-UHFFFAOYSA-N 1 0 412.559 3.176 40 0 HGABRO O=C(C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)NCc1ccc(F)cc1 ZINC000004908188 560617839 /nfs/dbraw/zinc/61/78/39/560617839.db2.gz ADRMBDIZFBQREN-FRIKZZABSA-N 1 0 409.505 3.257 40 0 HGABRO Cc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409054420 560671250 /nfs/dbraw/zinc/67/12/50/560671250.db2.gz JQDSPQFWAFFPEG-LMOLPZMTSA-O 1 0 416.476 3.459 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409054750 560671373 /nfs/dbraw/zinc/67/13/73/560671373.db2.gz BHBCFOGLJUCSFE-MAEDJNRBSA-O 1 0 422.867 3.495 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409071085 560673279 /nfs/dbraw/zinc/67/32/79/560673279.db2.gz OINGYPGZOSFFRG-ZCEBDVNOSA-O 1 0 422.867 3.495 40 0 HGABRO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000057992090 560808562 /nfs/dbraw/zinc/80/85/62/560808562.db2.gz RKQZVYFIUMOCFC-YJLYGGOZSA-N 1 0 419.481 3.134 40 0 HGABRO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000020141229 560881561 /nfs/dbraw/zinc/88/15/61/560881561.db2.gz NQMKFYLZLMRUJF-HXUWFJFHSA-N 1 0 414.916 3.241 40 0 HGABRO COc1cccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)n2)c1 ZINC000219425822 568491703 /nfs/dbraw/zinc/49/17/03/568491703.db2.gz YTBPOCDJSPBNKD-UHFFFAOYSA-N 1 0 424.476 3.413 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 ZINC000223219913 568541342 /nfs/dbraw/zinc/54/13/42/568541342.db2.gz NZQPCMQPODGIQO-SFTDATJTSA-N 1 0 409.559 3.449 40 0 HGABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cccnc1 ZINC000223258305 568542807 /nfs/dbraw/zinc/54/28/07/568542807.db2.gz ULYZDXXEGJGLPX-FCHUYYIVSA-N 1 0 420.586 3.418 40 0 HGABRO Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)nc1 ZINC000223257269 568542858 /nfs/dbraw/zinc/54/28/58/568542858.db2.gz VSOVMBPFTUPYMW-RTWAWAEBSA-N 1 0 406.559 3.110 40 0 HGABRO COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1 ZINC000223279297 568543882 /nfs/dbraw/zinc/54/38/82/568543882.db2.gz JDWPKDMXEUHNTN-YADHBBJMSA-N 1 0 421.570 3.415 40 0 HGABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cn1 ZINC000225932777 568687144 /nfs/dbraw/zinc/68/71/44/568687144.db2.gz UZPUNNPFOOHQOS-UHFFFAOYSA-N 1 0 403.910 3.362 40 0 HGABRO COC[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242495200 568688550 /nfs/dbraw/zinc/68/85/50/568688550.db2.gz FZKUGDLVSLHEID-IPMKNSEASA-N 1 0 424.360 3.289 40 0 HGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000061997539 568711371 /nfs/dbraw/zinc/71/13/71/568711371.db2.gz MAJIMOBMGHQQSS-DBPOXSKKSA-N 1 0 410.558 3.094 40 0 HGABRO Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1CCC[C@@]2(C)[NH2+]CCCC[C@H]12 ZINC000257217586 568781201 /nfs/dbraw/zinc/78/12/01/568781201.db2.gz CZPAHFUJAVDKNL-XUZZJYLKSA-N 1 0 409.578 3.483 40 0 HGABRO COc1ccccc1CN(C)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000257218074 568781221 /nfs/dbraw/zinc/78/12/21/568781221.db2.gz DBTVZFVZEBHEEG-LMCOJAPRSA-N 1 0 410.436 3.054 40 0 HGABRO Cc1ccc(NC(=O)CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)[C@@H](O)C2)cc1F ZINC000257230370 568784936 /nfs/dbraw/zinc/78/49/36/568784936.db2.gz GCAHMWCQFVORLK-UPVQGACJSA-N 1 0 411.521 3.174 40 0 HGABRO COc1cc2c(cc1CN1CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C1)CCC2 ZINC000257241745 568787862 /nfs/dbraw/zinc/78/78/62/568787862.db2.gz HZLLFWIVZRIXKZ-QHCPKHFHSA-N 1 0 417.513 3.192 40 0 HGABRO COc1ccccc1[C@H]1CN(C(C)=O)CCN1C(=O)c1ccccc1C[NH+]1CCCC1 ZINC000257252023 568790973 /nfs/dbraw/zinc/79/09/73/568790973.db2.gz JTGNSTVDBCQFNW-HSZRJFAPSA-N 1 0 421.541 3.337 40 0 HGABRO CCCN1CC[N@H+](CCC(N)=O)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257282157 568799205 /nfs/dbraw/zinc/79/92/05/568799205.db2.gz OSPALTNXWVKFED-HXUWFJFHSA-N 1 0 411.521 3.081 40 0 HGABRO CC(=O)N1[C@@H]2CCC[C@@H]3N(C(=O)C[NH+]4CCCCC4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257291523 568802013 /nfs/dbraw/zinc/80/20/13/568802013.db2.gz QHJDSJHJRLSGHB-TYUWDEHNSA-N 1 0 423.601 3.474 40 0 HGABRO CNC(=O)c1sc2nc(C3(C)CC[NH+](CC4CCOCC4)CC3)ccc2c1N ZINC000257294622 568802930 /nfs/dbraw/zinc/80/29/30/568802930.db2.gz QUYVEFDMAWHNLB-UHFFFAOYSA-N 1 0 402.564 3.018 40 0 HGABRO Cn1cc(C[N@@H+]2CC[C@H](c3ccnc(Nc4cc(C(F)(F)F)ccn4)n3)C2)cn1 ZINC000257300428 568804459 /nfs/dbraw/zinc/80/44/59/568804459.db2.gz RUFGKEIRGHNZKP-AWEZNQCLSA-N 1 0 403.412 3.357 40 0 HGABRO c1cn2cc(C[C@H]3COCC[N@H+](Cc4cccc(Oc5ncccn5)c4)C3)ncc2n1 ZINC000257317194 568809396 /nfs/dbraw/zinc/80/93/96/568809396.db2.gz VISSXHDNKPTHGB-LJQANCHMSA-N 1 0 416.485 3.003 40 0 HGABRO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)[nH+]1 ZINC000257326278 568812198 /nfs/dbraw/zinc/81/21/98/568812198.db2.gz WWOXYNLUAXOTAM-INIZCTEOSA-N 1 0 404.511 3.403 40 0 HGABRO C[C@]1(O)CN(C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)CC[C@@H]1Oc1ccccc1 ZINC000257334921 568814576 /nfs/dbraw/zinc/81/45/76/568814576.db2.gz YHWCDQCKCWBYFO-ZCYQVOJMSA-N 1 0 424.541 3.206 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218565253 568881989 /nfs/dbraw/zinc/88/19/89/568881989.db2.gz FCGSADDHOIRCQG-URVUXULASA-N 1 0 401.528 3.005 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218639400 568885633 /nfs/dbraw/zinc/88/56/33/568885633.db2.gz DJLLEEVARYHFGM-IRFCIJBXSA-N 1 0 421.946 3.350 40 0 HGABRO O=C1N(Cc2ccc(F)cc2)CCO[C@@]12C[N@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306127037 568889688 /nfs/dbraw/zinc/88/96/88/568889688.db2.gz FMEVUBULSOEPEA-ISKFKSNPSA-N 1 0 421.472 3.211 40 0 HGABRO Cc1cc(C)cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)c1 ZINC000306127649 568890485 /nfs/dbraw/zinc/89/04/85/568890485.db2.gz GEBFPOKBYIOBEZ-UKILVPOCSA-N 1 0 405.542 3.305 40 0 HGABRO c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cc2c1OCO2 ZINC000306127946 568890728 /nfs/dbraw/zinc/89/07/28/568890728.db2.gz GLKKWTBSKHUKNH-GOSISDBHSA-N 1 0 405.502 3.438 40 0 HGABRO CC(C)C[NH+]1CCC2(CCCN(C(=O)c3ccsc3)[C@@H]2CNC(=O)N(C)C)CC1 ZINC000306129936 568892252 /nfs/dbraw/zinc/89/22/52/568892252.db2.gz IRDZWHBLACUMEQ-LJQANCHMSA-N 1 0 420.623 3.362 40 0 HGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(N4CCC(F)(F)CC4)nc23)cn1 ZINC000306134649 568896471 /nfs/dbraw/zinc/89/64/71/568896471.db2.gz NUJMLHJYXMMRCU-OAQYLSRUSA-N 1 0 415.488 3.089 40 0 HGABRO Cc1cc(C)cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)c1 ZINC000306137870 568899800 /nfs/dbraw/zinc/89/98/00/568899800.db2.gz RIQFGQJTOMTHKH-FCHUYYIVSA-N 1 0 415.541 3.129 40 0 HGABRO Cc1cc(C)cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306137872 568899850 /nfs/dbraw/zinc/89/98/50/568899850.db2.gz RIQFGQJTOMTHKH-VXKWHMMOSA-N 1 0 415.541 3.129 40 0 HGABRO COC(=O)N1Cc2nnc(-c3ccccc3)n2C2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000306139453 568901290 /nfs/dbraw/zinc/90/12/90/568901290.db2.gz SXQIWLDSJVLVPV-UHFFFAOYSA-N 1 0 407.474 3.111 40 0 HGABRO COc1ccc(-c2nnc3n(c2=O)CC[C@]32CC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000306140771 568902634 /nfs/dbraw/zinc/90/26/34/568902634.db2.gz VDNAUZCCLSMEPK-QHCPKHFHSA-N 1 0 406.461 3.000 40 0 HGABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccccc3Cl)C[C@H]1C2 ZINC000306143184 568904737 /nfs/dbraw/zinc/90/47/37/568904737.db2.gz XVHSNHPSXLPTOW-MOPGFXCFSA-N 1 0 421.932 3.166 40 0 HGABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccccc3Cl)C[C@H]1C2 ZINC000306143187 568904780 /nfs/dbraw/zinc/90/47/80/568904780.db2.gz XVHSNHPSXLPTOW-RTBURBONSA-N 1 0 421.932 3.166 40 0 HGABRO COc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306144281 568905613 /nfs/dbraw/zinc/90/56/13/568905613.db2.gz ZBBMJHOKKDIWCX-XMMPIXPASA-N 1 0 419.481 3.462 40 0 HGABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242592420 568967772 /nfs/dbraw/zinc/96/77/72/568967772.db2.gz OTWBSRSMBMOJHH-IPMKNSEASA-N 1 0 424.360 3.370 40 0 HGABRO Cc1c(Nc2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)cccc1C(F)(F)F ZINC000329006751 568972410 /nfs/dbraw/zinc/97/24/10/568972410.db2.gz LECSEQOAWCRNPZ-UHFFFAOYSA-N 1 0 407.362 3.384 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2cccc(Br)c2)cc(-c2ccccc2)n1 ZINC000329042523 568974395 /nfs/dbraw/zinc/97/43/95/568974395.db2.gz SNBHTBJWFSNMKD-UHFFFAOYSA-N 1 0 412.335 3.467 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)n1 ZINC000329056624 568974914 /nfs/dbraw/zinc/97/49/14/568974914.db2.gz VSQBNWMGAGTSEA-UHFFFAOYSA-N 1 0 408.319 3.207 40 0 HGABRO COc1ccc2c(c1)C(=O)N[C@]1(CC[N@@H+]([C@@H](C)Cc3ccc(OC)c(OC)c3)C1)CC2 ZINC000019456763 569345537 /nfs/dbraw/zinc/34/55/37/569345537.db2.gz QTGUMDXHONAXJW-GKVSMKOHSA-N 1 0 424.541 3.464 40 0 HGABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2C[N@H+](CC3CCCCC3)CCO2)n1 ZINC000019692778 569346203 /nfs/dbraw/zinc/34/62/03/569346203.db2.gz HXICYYGRDNGUGS-NRFANRHFSA-N 1 0 423.561 3.262 40 0 HGABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2C[N@@H+](C3CCCCC3)CCO2)n1 ZINC000019694886 569346674 /nfs/dbraw/zinc/34/66/74/569346674.db2.gz MTECMPWDAZWPOZ-FQEVSTJZSA-N 1 0 409.534 3.015 40 0 HGABRO CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2C(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019713934 569348526 /nfs/dbraw/zinc/34/85/26/569348526.db2.gz POGORERETASMNT-LEWJYISDSA-N 1 0 401.526 3.040 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000252516467 569388051 /nfs/dbraw/zinc/38/80/51/569388051.db2.gz SRMQAWYJNWDINO-NLWGTHIKSA-N 1 0 407.919 3.096 40 0 HGABRO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@H]([NH2+]CCO)C[C@@H](c3ccccc3)N21 ZINC000012603086 291236133 /nfs/dbraw/zinc/23/61/33/291236133.db2.gz MKISYXAMDJIFRC-WIQPIVSASA-N 1 0 419.525 3.094 40 0 biogenic,in-vitro HGABRO Cn1ccnc1CN1CCOC[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1 ZINC000067898722 291242355 /nfs/dbraw/zinc/24/23/55/291242355.db2.gz FNPQKFFEKWWGNE-INIZCTEOSA-N 1 0 407.396 3.282 40 0 biogenic,in-vitro HGABRO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1)c1ccncc1 ZINC000004259189 291244631 /nfs/dbraw/zinc/24/46/31/291244631.db2.gz SABVWMRXLZOCQT-PKOBYXMFSA-N 1 0 418.472 3.254 40 0 biogenic,in-vitro HGABRO COC(=O)c1cccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000225773138 522239076 /nfs/dbraw/zinc/23/90/76/522239076.db2.gz VUEYAWBOEMXYEH-UHFFFAOYSA-N 1 0 413.543 3.433 40 0 HGABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(S(=O)(=O)C3CCCC3)C2)[nH+]1 ZINC000072375058 525308339 /nfs/dbraw/zinc/30/83/39/525308339.db2.gz VSYOPPSDKWLPND-INIZCTEOSA-N 1 0 401.536 3.375 40 0 HGABRO COc1ccc(CC[NH2+]Cc2ccc(OCC(=O)NC(C)(C)C)c(OC)c2)cc1 ZINC000006882451 557728671 /nfs/dbraw/zinc/72/86/71/557728671.db2.gz NWUIVEXARWPZEL-UHFFFAOYSA-N 1 0 400.519 3.330 40 0 HGABRO O=C(CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000019748183 558267456 /nfs/dbraw/zinc/26/74/56/558267456.db2.gz LIRXCXQHFVVVIR-HSZRJFAPSA-N 1 0 423.601 3.434 40 0 HGABRO Cc1c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)cnn1C ZINC000019749084 558268315 /nfs/dbraw/zinc/26/83/15/558268315.db2.gz ZOTWUVCICGALSI-MRXNPFEDSA-N 1 0 409.456 3.235 40 0 HGABRO Cc1ncc(C[N@@H+]2CC[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)s1 ZINC000019761118 558276431 /nfs/dbraw/zinc/27/64/31/558276431.db2.gz IOTUUPVVYCOUEF-KRWDZBQOSA-N 1 0 422.554 3.462 40 0 HGABRO COc1ccc(C[N@@H+]2CCCN(c3nc(C)cc(-n4nc(C)cc4C)n3)CC2)cc1 ZINC000012120638 558330550 /nfs/dbraw/zinc/33/05/50/558330550.db2.gz CTNOAGLWVYAOGQ-UHFFFAOYSA-N 1 0 406.534 3.308 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000020636722 558396236 /nfs/dbraw/zinc/39/62/36/558396236.db2.gz BTTVJVNEYUYKJL-MOPGFXCFSA-N 1 0 411.889 3.105 40 0 HGABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+](C)C)ccc2C)cc1C ZINC000013670687 558562216 /nfs/dbraw/zinc/56/22/16/558562216.db2.gz IXMDNLFXOJVXAF-UHFFFAOYSA-N 1 0 403.548 3.094 40 0 HGABRO CC(C)(C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019081284 558839393 /nfs/dbraw/zinc/83/93/93/558839393.db2.gz SADJVYKGDFLATH-HNNXBMFYSA-N 1 0 414.575 3.142 40 0 HGABRO C[NH+]1CCC(N(C[C@H]2CCCO2)C(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)CC1 ZINC000019082374 558840164 /nfs/dbraw/zinc/84/01/64/558840164.db2.gz FSYYZQNTUZPECY-SJLPKXTDSA-N 1 0 402.583 3.276 40 0 HGABRO COc1cc(C[N@@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1OC ZINC000019129193 558845253 /nfs/dbraw/zinc/84/52/53/558845253.db2.gz HEILMMFOMQKOKW-INIZCTEOSA-N 1 0 411.506 3.025 40 0 HGABRO Cc1sc2nc(C)n(CC(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)c(=O)c2c1C ZINC000019136464 558846238 /nfs/dbraw/zinc/84/62/38/558846238.db2.gz VHILXDWNACVAAY-SFHVURJKSA-N 1 0 412.559 3.111 40 0 HGABRO Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019239484 558857988 /nfs/dbraw/zinc/85/79/88/558857988.db2.gz ACMLHDGPYOCSDW-NRFANRHFSA-N 1 0 421.545 3.141 40 0 HGABRO Cn1ccnc1[C@@H](c1ccccc1)N1CCN(C(=O)CCC[NH+]2CCCCCC2)CC1 ZINC000019291304 558863936 /nfs/dbraw/zinc/86/39/36/558863936.db2.gz LEELCKUQNZEUOK-XMMPIXPASA-N 1 0 423.605 3.310 40 0 HGABRO O=C(c1cc(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1)N1CCC[C@H](O)C1 ZINC000019333820 558869155 /nfs/dbraw/zinc/86/91/55/558869155.db2.gz HOZBNBORKNWGPE-SFHVURJKSA-N 1 0 403.910 3.305 40 0 HGABRO O=C(N[C@@H]1CCCOC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372522 558879937 /nfs/dbraw/zinc/87/99/37/558879937.db2.gz JKWUOYGZXWWJRX-YPAWHYETSA-N 1 0 410.489 3.052 40 0 HGABRO O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019400062 558882720 /nfs/dbraw/zinc/88/27/20/558882720.db2.gz FAIOMYREOLTCJO-NRFANRHFSA-N 1 0 421.545 3.081 40 0 HGABRO CCCC(=O)NCCn1nc(C2CC[NH+](Cc3ccncc3)CC2)c2cccnc21 ZINC000019501757 558899974 /nfs/dbraw/zinc/89/99/74/558899974.db2.gz LKGHKFKAOYIFTA-UHFFFAOYSA-N 1 0 406.534 3.122 40 0 HGABRO CCn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)n1 ZINC000019525152 558906591 /nfs/dbraw/zinc/90/65/91/558906591.db2.gz BDINXEKIXVJRTM-HXUWFJFHSA-N 1 0 424.549 3.067 40 0 HGABRO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+](Cc4ccncc4)C3)no2)cc1 ZINC000019555866 558918536 /nfs/dbraw/zinc/91/85/36/558918536.db2.gz FHKBBSTYQSTPEC-IBGZPJMESA-N 1 0 406.486 3.388 40 0 HGABRO C[N@@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC000019587615 558939806 /nfs/dbraw/zinc/93/98/06/558939806.db2.gz IBLPGNRRSLZDQO-GHTZIAJQSA-N 1 0 410.493 3.032 40 0 HGABRO C[N@@H+]1CCCC[C@@H]1CC(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 ZINC000019588867 558940085 /nfs/dbraw/zinc/94/00/85/558940085.db2.gz NWLKHWWXTZAKQC-MRXNPFEDSA-N 1 0 410.547 3.059 40 0 HGABRO CC(=O)Nc1ccc([C@@H](O)C[N@H+]2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 ZINC000072342779 558940562 /nfs/dbraw/zinc/94/05/62/558940562.db2.gz WEVJDQVWBUVYIA-QFIPXVFZSA-N 1 0 405.502 3.127 40 0 HGABRO CNc1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccc(Cl)cc4)n3)C2)cn1 ZINC000019592382 558943267 /nfs/dbraw/zinc/94/32/67/558943267.db2.gz RDRVMKKSROLQGO-INIZCTEOSA-N 1 0 410.909 3.302 40 0 HGABRO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019593233 558944348 /nfs/dbraw/zinc/94/43/48/558944348.db2.gz XPHCJWWZTDRUJM-JTSKRJEESA-N 1 0 403.473 3.466 40 0 HGABRO O=C(C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1)N1CCC1 ZINC000072371751 558959130 /nfs/dbraw/zinc/95/91/30/558959130.db2.gz JAJRHZXEZKNVOL-OAHLLOKOSA-N 1 0 422.451 3.072 40 0 HGABRO COc1cccc(OCCc2cc([C@H]3CC[N@H+](Cc4cccnc4N(C)C)C3)[nH]n2)c1 ZINC000072371741 558959143 /nfs/dbraw/zinc/95/91/43/558959143.db2.gz DXGRGVIJGGCCDJ-SFHVURJKSA-N 1 0 421.545 3.490 40 0 HGABRO Cc1nccn1CCNC(=O)C1(Cc2cccc([C@H]3CCC[N@@H+](C)C3)c2)CCOCC1 ZINC000072372228 558959516 /nfs/dbraw/zinc/95/95/16/558959516.db2.gz PXRPVMGNJULMHG-QHCPKHFHSA-N 1 0 424.589 3.156 40 0 HGABRO CCOCc1ccc(C(=O)N2CCc3nc([C@H]4CCC[N@H+](C)C4)nc(NC)c3C2)cc1 ZINC000072372301 558959717 /nfs/dbraw/zinc/95/97/17/558959717.db2.gz XMHWAMNROYLKAP-IBGZPJMESA-N 1 0 423.561 3.063 40 0 HGABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1 ZINC000072374532 558962146 /nfs/dbraw/zinc/96/21/46/558962146.db2.gz HXJAPFAJLOSKKP-HXUWFJFHSA-N 1 0 404.518 3.329 40 0 HGABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000257205730 558989019 /nfs/dbraw/zinc/98/90/19/558989019.db2.gz BAJDLLXLZXJYKP-KNQAVFIVSA-N 1 0 422.577 3.426 40 0 HGABRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2c(=O)[nH]c(N3CCC[C@@H](C)C3)nc2C1 ZINC000257309209 559011499 /nfs/dbraw/zinc/01/14/99/559011499.db2.gz TZYYXZFSOYCCLX-IAGOWNOFSA-N 1 0 424.545 3.384 40 0 HGABRO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCS(C)(=O)=O)CC2)cc1 ZINC000585100077 559023703 /nfs/dbraw/zinc/02/37/03/559023703.db2.gz FAESMUOLYQFHKT-QFIPXVFZSA-N 1 0 406.592 3.202 40 0 HGABRO COc1ncc(C[N@@H+]2C[C@H](C(=O)NCCC(C)(C)C)C3(C2)CCOCC3)cc1C ZINC000585102029 559025242 /nfs/dbraw/zinc/02/52/42/559025242.db2.gz ZJHQRRMWNKYANA-LJQANCHMSA-N 1 0 403.567 3.180 40 0 HGABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@H+]3CCC[C@@H](C)C3)C2)CC1 ZINC000585103137 559026357 /nfs/dbraw/zinc/02/63/57/559026357.db2.gz DNEQXRQMXJZJHX-UYAOXDASSA-N 1 0 406.592 3.287 40 0 HGABRO CN1CCN(C(=O)C[C@@H]2CC3(CC[NH+](Cc4ccccn4)CC3)c3ccccc32)CC1 ZINC000096052941 559092712 /nfs/dbraw/zinc/09/27/12/559092712.db2.gz MIIXEGRINMIQGT-OAQYLSRUSA-N 1 0 418.585 3.267 40 0 HGABRO Cn1cc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)N2CCCC2)c2ccccc2O3)cn1 ZINC000096053211 559093053 /nfs/dbraw/zinc/09/30/53/559093053.db2.gz FXBOBKPJTLJILG-FQEVSTJZSA-N 1 0 408.546 3.334 40 0 HGABRO Cn1cc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)N2CCCC2)c2ccccc2O3)cn1 ZINC000096053212 559093136 /nfs/dbraw/zinc/09/31/36/559093136.db2.gz FXBOBKPJTLJILG-HXUWFJFHSA-N 1 0 408.546 3.334 40 0 HGABRO CC(C)CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cnn(C)c3)CC2)Oc2ccccc21 ZINC000096053512 559093560 /nfs/dbraw/zinc/09/35/60/559093560.db2.gz PUEZNTPSZAASHP-HXUWFJFHSA-N 1 0 410.562 3.483 40 0 HGABRO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(S(=O)(=O)c4cccc(F)c4)C3)C2)n1 ZINC000096216216 559101840 /nfs/dbraw/zinc/10/18/40/559101840.db2.gz NSIASIFOYNHOHM-NRFANRHFSA-N 1 0 403.523 3.206 40 0 HGABRO Cn1cccc1C[N@@H+]1CCOCC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000096239876 559103539 /nfs/dbraw/zinc/10/35/39/559103539.db2.gz ORMUMXQJYKRRNX-UHFFFAOYSA-N 1 0 400.498 3.311 40 0 HGABRO COc1cccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)S(=O)(=O)[C@@H]3CC2)c1 ZINC000096263670 559107185 /nfs/dbraw/zinc/10/71/85/559107185.db2.gz OFXUJLRWTVKLPS-IFMALSPDSA-N 1 0 400.544 3.121 40 0 HGABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@@H](Cc2cccc3n[nH]cc32)C1 ZINC000585261880 559109519 /nfs/dbraw/zinc/10/95/19/559109519.db2.gz HWPCJTUHBFYCSJ-IBGZPJMESA-N 1 0 418.541 3.490 40 0 HGABRO CN1C(=O)CCC[C@@H]2[N@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)CCC[C@@]21C ZINC000585262841 559111463 /nfs/dbraw/zinc/11/14/63/559111463.db2.gz KYPVOKDHHCINPH-UNMCSNQZSA-N 1 0 403.542 3.022 40 0 HGABRO CN1C(=O)C2(C[C@@H]1Cc1cccc(-c3cnc4ccc(Cl)cn43)n1)CC[NH2+]CC2 ZINC000585263414 559111681 /nfs/dbraw/zinc/11/16/81/559111681.db2.gz YTFQWJLNJAETKF-KRWDZBQOSA-N 1 0 409.921 3.193 40 0 HGABRO C[C@@H]1CC(=O)N(c2cccc(C(=O)N3CCCC[C@H]3C[NH+]3CCCCCC3)c2)C1=O ZINC000100731265 559138716 /nfs/dbraw/zinc/13/87/16/559138716.db2.gz JAHWVVIIDSJTOM-NQIIRXRSSA-N 1 0 411.546 3.457 40 0 HGABRO Cc1ccccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257317836 559283020 /nfs/dbraw/zinc/28/30/20/559283020.db2.gz VLJFEPPKFOWIPA-DGWZTRNLSA-N 1 0 422.569 3.299 40 0 HGABRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCn3cccn3)cc2)c(C)c1 ZINC000257220999 559283596 /nfs/dbraw/zinc/28/35/96/559283596.db2.gz DNDHGTRDTFWNNR-QFIPXVFZSA-N 1 0 409.530 3.451 40 0 HGABRO C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)c3cc4ccccc4[nH]3)C2)OC1 ZINC000575404349 560547155 /nfs/dbraw/zinc/54/71/55/560547155.db2.gz NCLNZZBXQZGOQB-LJQANCHMSA-N 1 0 404.514 3.316 40 0 HGABRO COc1ccc2cc(CN(C(=S)NCCC[NH+](C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000004133190 560600440 /nfs/dbraw/zinc/60/04/40/560600440.db2.gz DBIFFDCQURQKBE-UHFFFAOYSA-N 1 0 416.591 3.108 40 0 HGABRO O=C(C[NH+]1CCCCC1)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000004908501 560617997 /nfs/dbraw/zinc/61/79/97/560617997.db2.gz ZVNGCOUFMIXMCA-UHFFFAOYSA-N 1 0 414.575 3.055 40 0 HGABRO COc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)NC3CCCCC3)cc2c1 ZINC000005988049 560628682 /nfs/dbraw/zinc/62/86/82/560628682.db2.gz WAXXBJSMEYSWEO-UHFFFAOYSA-N 1 0 414.550 3.333 40 0 HGABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccccc2)c1 ZINC000409058909 560670800 /nfs/dbraw/zinc/67/08/00/560670800.db2.gz ZKIXRYUOJCKGJP-AYHYUOJHSA-O 1 0 414.485 3.020 40 0 HGABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Br)c1OCC(N)=O ZINC000007537929 560751432 /nfs/dbraw/zinc/75/14/32/560751432.db2.gz SLBSIACBEWANGT-UHFFFAOYSA-N 1 0 407.308 3.310 40 0 HGABRO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+](C)C)ccc2C)c1 ZINC000010111456 560763788 /nfs/dbraw/zinc/76/37/88/560763788.db2.gz NUHFPGXYXAMOGV-UHFFFAOYSA-N 1 0 403.548 3.094 40 0 HGABRO COc1cc(O)ccc1OCC[NH2+]C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000002528509 560870580 /nfs/dbraw/zinc/87/05/80/560870580.db2.gz ZCJHEORDHXCJNB-KRWDZBQOSA-N 1 0 422.481 3.444 40 0 endogenous,world HGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382108 568489396 /nfs/dbraw/zinc/48/93/96/568489396.db2.gz DSFGTEKIEQIRFT-UAFMIMERSA-N 1 0 421.463 3.063 40 0 biogenic,in-vitro HGABRO COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022929429 568501352 /nfs/dbraw/zinc/50/13/52/568501352.db2.gz DSVONBMUUUPUAR-JOCHJYFZSA-N 1 0 412.582 3.377 40 0 HGABRO Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)nc1 ZINC000223215342 568541281 /nfs/dbraw/zinc/54/12/81/568541281.db2.gz OLTHXGWYXSOHGT-VXKWHMMOSA-N 1 0 420.586 3.500 40 0 HGABRO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)n1-c1cccnc1 ZINC000223261374 568543174 /nfs/dbraw/zinc/54/31/74/568543174.db2.gz HXLZQIONRSLRHY-SFTDATJTSA-N 1 0 406.559 3.110 40 0 HGABRO CS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(Cl)c1 ZINC000224623083 568588846 /nfs/dbraw/zinc/58/88/46/568588846.db2.gz XWQRRUZFLRYBEU-UHFFFAOYSA-N 1 0 421.950 3.237 40 0 HGABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(NCc4ccccc4)nc23)cn1 ZINC000247868311 568745828 /nfs/dbraw/zinc/74/58/28/568745828.db2.gz BZOQCHSYIMOUAP-XMMPIXPASA-N 1 0 417.513 3.166 40 0 HGABRO Cc1nc(C)n(CC(=O)N2CC[C@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)n1 ZINC000257206780 568778062 /nfs/dbraw/zinc/77/80/62/568778062.db2.gz BEWITKCXUHVWPS-KRWDZBQOSA-N 1 0 408.481 3.497 40 0 HGABRO COc1c(C)cccc1C[N@@H+]1CCC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000257243402 568788393 /nfs/dbraw/zinc/78/83/93/568788393.db2.gz IGUQCKGJSXTZGK-LJQANCHMSA-N 1 0 421.545 3.264 40 0 HGABRO COc1cccc(Cc2cnc([C@@]3(C)CCCN(C(=O)C4CC[NH+](C)CC4)C3)o2)c1 ZINC000257296869 568803499 /nfs/dbraw/zinc/80/34/99/568803499.db2.gz RESDSWHVHCZSOD-DEOSSOPVSA-N 1 0 411.546 3.496 40 0 HGABRO C[N@H+](CCC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1)Cc1cccnc1 ZINC000257303445 568805492 /nfs/dbraw/zinc/80/54/92/568805492.db2.gz SHGVTTGNAFRUSG-HXUWFJFHSA-N 1 0 422.508 3.115 40 0 HGABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)COC(C)=O)C[C@@H]32)cc1 ZINC000257332619 568813779 /nfs/dbraw/zinc/81/37/79/568813779.db2.gz XYAUOJYTFKRWGQ-WXFUMESZSA-N 1 0 422.525 3.075 40 0 HGABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306123990 568887093 /nfs/dbraw/zinc/88/70/93/568887093.db2.gz BCMFGUKFQMKVQU-RTWAWAEBSA-N 1 0 419.456 3.437 40 0 HGABRO CC(C)C[N@@H+]1CC[C@]2(C1)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1O2 ZINC000306125354 568888076 /nfs/dbraw/zinc/88/80/76/568888076.db2.gz CNHWYZPEIGWNMZ-QFIPXVFZSA-N 1 0 400.544 3.370 40 0 HGABRO c1cnc2c(c1)N(Cc1cccnc1)C[C@]21CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000306126890 568889698 /nfs/dbraw/zinc/88/96/98/568889698.db2.gz FICHGSWVHOYGGL-XMMPIXPASA-N 1 0 400.482 3.369 40 0 HGABRO CC(C)C[NH+]1CCC2(CCCN(Cc3nccs3)[C@H]2CNC(=O)C2CC2)CC1 ZINC000306127631 568890466 /nfs/dbraw/zinc/89/04/66/568890466.db2.gz GDXJSFRYOADKRI-IBGZPJMESA-N 1 0 404.624 3.372 40 0 HGABRO O=C(c1ccc2c(c1)OCCCO2)N1CCO[C@]2(CCCC[C@H]2[NH+]2CCCC2)C1 ZINC000306127736 568890599 /nfs/dbraw/zinc/89/05/99/568890599.db2.gz GFXDHOOYKCPMKA-FYYLOGMGSA-N 1 0 400.519 3.098 40 0 HGABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4cccc(C)c4)C[C@H]2C3)cc1 ZINC000306128027 568890842 /nfs/dbraw/zinc/89/08/42/568890842.db2.gz GOFMJAADXKARMN-MOPGFXCFSA-N 1 0 417.513 3.152 40 0 HGABRO CN(C)c1cccc(C(=O)N2CCO[C@@]3(CCCC[C@@H]3[NH2+]Cc3cccnc3)C2)c1 ZINC000306128749 568891429 /nfs/dbraw/zinc/89/14/29/568891429.db2.gz HJMUWFBUXRTCGW-UPVQGACJSA-N 1 0 408.546 3.091 40 0 HGABRO Cn1nccc1[C@@H]1C[N@H+](Cc2ccco2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306132897 568895106 /nfs/dbraw/zinc/89/51/06/568895106.db2.gz LVNMUJPGWVUTTO-XUZZJYLKSA-N 1 0 404.514 3.422 40 0 HGABRO COCCN1CC[C@]2(C[N@H+](Cc3cccc(C)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306134939 568896951 /nfs/dbraw/zinc/89/69/51/568896951.db2.gz OBXYVHMFRUGUEZ-ZJSXRUAMSA-N 1 0 410.562 3.237 40 0 HGABRO Cc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)c1 ZINC000306137983 568899972 /nfs/dbraw/zinc/89/99/72/568899972.db2.gz RLSKDMIMTGFOEC-ZWKOTPCHSA-N 1 0 405.477 3.282 40 0 HGABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306143186 568904785 /nfs/dbraw/zinc/90/47/85/568904785.db2.gz XVHSNHPSXLPTOW-RBUKOAKNSA-N 1 0 421.932 3.166 40 0 HGABRO CCc1ccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CCOC)C3=O)C2)cc1 ZINC000306143079 568904800 /nfs/dbraw/zinc/90/48/00/568904800.db2.gz XSRUACVSRXWUKU-DHLKQENFSA-N 1 0 424.589 3.491 40 0 HGABRO Cc1ccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)cc1C ZINC000306143427 568904855 /nfs/dbraw/zinc/90/48/55/568904855.db2.gz YCBPZYXDLLLHSW-FGZHOGPDSA-N 1 0 415.541 3.129 40 0 HGABRO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306144164 568905630 /nfs/dbraw/zinc/90/56/30/568905630.db2.gz YXXOJMQINNXWBE-DEOSSOPVSA-N 1 0 419.481 3.462 40 0 HGABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4scnc4C)C[C@@H]32)cc1 ZINC000306144653 568906066 /nfs/dbraw/zinc/90/60/66/568906066.db2.gz ZKZCNVVPSJHILW-UXHICEINSA-N 1 0 408.527 3.343 40 0 HGABRO COc1ccc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)c(OC)c1 ZINC000328964619 568970030 /nfs/dbraw/zinc/97/00/30/568970030.db2.gz BXGZQFBUKYEQOW-UHFFFAOYSA-N 1 0 407.518 3.112 40 0 HGABRO COCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000009062593 569342166 /nfs/dbraw/zinc/34/21/66/569342166.db2.gz PUAYTXRVGCVMKJ-UHFFFAOYSA-N 1 0 409.530 3.222 40 0 HGABRO C[NH+](C)CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000010111686 569342845 /nfs/dbraw/zinc/34/28/45/569342845.db2.gz UEQKSDKDRRRMDM-NRFANRHFSA-N 1 0 417.962 3.406 40 0 HGABRO C[NH+](C)CCCNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000010111424 569342872 /nfs/dbraw/zinc/34/28/72/569342872.db2.gz QTLOBOGUTOSBAB-QHCPKHFHSA-N 1 0 411.571 3.185 40 0 HGABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@H+](Cc3ccncc3C)C1)O2 ZINC000012135345 569344661 /nfs/dbraw/zinc/34/46/61/569344661.db2.gz NWGAKYWNWYAROQ-HYBUGGRVSA-N 1 0 409.530 3.420 40 0 HGABRO CNc1cc(CN(C)C(=O)c2c(C)onc2-c2ccc(C)cc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760761 569348924 /nfs/dbraw/zinc/34/89/24/569348924.db2.gz JZKAPTUUOPWIPF-SFHVURJKSA-N 1 0 420.517 3.487 40 0 HGABRO COc1ccccc1OCC[NH2+]C[C@@H](O)COc1cccc2[nH]c3c(c21)CCCC3 ZINC000065748810 569393480 /nfs/dbraw/zinc/39/34/80/569393480.db2.gz DEZWFYYHJOWXBH-QGZVFWFLSA-N 1 0 410.514 3.464 40 0 in-vitro HGABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(C(=O)CCCc1ccc(F)c(C)c1)C2 ZINC000019707105 569428761 /nfs/dbraw/zinc/42/87/61/569428761.db2.gz HILIJDBJUFKKOM-LJQANCHMSA-N 1 0 411.525 3.298 40 0 HGABRO CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)CCCc2ccc(F)cc2)n1 ZINC000019710035 569428893 /nfs/dbraw/zinc/42/88/93/569428893.db2.gz NCWILLCRSYXQOW-GOSISDBHSA-N 1 0 413.541 3.130 40 0 HGABRO CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(NCC[NH+](C)C)n1 ZINC000328971238 571306386 /nfs/dbraw/zinc/30/63/86/571306386.db2.gz DOHZSZBSHBCQRF-UHFFFAOYSA-N 1 0 418.383 3.899 40 0 HGABRO COC(=O)c1ccc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)cc1 ZINC000329005889 571306758 /nfs/dbraw/zinc/30/67/58/571306758.db2.gz KZZABGWORCVPDF-UHFFFAOYSA-N 1 0 405.502 4.037 40 0 HGABRO CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012602545 291233039 /nfs/dbraw/zinc/23/30/39/291233039.db2.gz SFLRDGFGTSGTKN-KMDXXIMOSA-N 1 0 412.622 3.359 40 0 biogenic,in-vitro HGABRO CC(C)C[NH2+]C[C@H]1O[C@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@@H]1O ZINC000096268987 291232593 /nfs/dbraw/zinc/23/25/93/291232593.db2.gz BNWCCMPGPZTKTM-ACIOBRDBSA-N 1 0 401.551 3.003 40 0 biogenic,in-vitro HGABRO CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[NH+]2CCSCC2)c1 ZINC000012602643 291241341 /nfs/dbraw/zinc/24/13/41/291241341.db2.gz WMFJPPMVYCJXRJ-JENIJYKNSA-N 1 0 420.648 3.289 40 0 biogenic,in-vitro HGABRO c1csc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4[NH2+]CC3CCCCC3)n2)c1 ZINC000005433879 291246526 /nfs/dbraw/zinc/24/65/26/291246526.db2.gz BTRBQBJILDTZOX-RAUXBKROSA-N 1 0 400.548 3.322 40 0 biogenic,in-vitro HGABRO CCOc1ccccc1N1CC[NH+](CCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000005333254 132305064 /nfs/dbraw/zinc/30/50/64/132305064.db2.gz LKOQFDAFCMJPIU-UHFFFAOYSA-N 1 0 400.519 3.476 40 0 HGABRO C[C@H]1CCCN(c2cc(C(=O)N(C[C@@H]3CCCO3)C3CC[NH+](C)CC3)ccn2)C1 ZINC000019496616 132467493 /nfs/dbraw/zinc/46/74/93/132467493.db2.gz DOQWFNZBIGCUGX-RXVVDRJESA-N 1 0 400.567 3.033 40 0 HGABRO CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CC[NH+](C3CCCC3)CC2)C1 ZINC000072372435 519538995 /nfs/dbraw/zinc/53/89/95/519538995.db2.gz GTLCCBPJLIFCEI-OAQYLSRUSA-N 1 0 411.590 3.465 40 0 HGABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000044880062 523021467 /nfs/dbraw/zinc/02/14/67/523021467.db2.gz RLTUPLOBBKCDDE-SFHVURJKSA-N 1 0 407.580 3.055 40 0 HGABRO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(OC)c1OC ZINC000044882815 524062800 /nfs/dbraw/zinc/06/28/00/524062800.db2.gz FGYRJSKBHPDIRE-GOSISDBHSA-N 1 0 416.493 3.380 40 0 HGABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000044857120 524437413 /nfs/dbraw/zinc/43/74/13/524437413.db2.gz XGFPOQYJKMCLND-GOSISDBHSA-N 1 0 414.571 3.488 40 0 HGABRO CCOC(=O)c1cc(NC(=O)c2cccs2)ccc1OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000002019973 557299150 /nfs/dbraw/zinc/29/91/50/557299150.db2.gz PHMRLCQEIQGCHH-HNNXBMFYSA-N 1 0 420.531 3.305 40 0 investigational HGABRO Nc1nc(-c2ccccc2)nc2nc([C@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)ccc12 ZINC000019743307 558263741 /nfs/dbraw/zinc/26/37/41/558263741.db2.gz ILYGRFHCXLWRDU-SFHVURJKSA-N 1 0 416.529 3.076 40 0 HGABRO O=C(Cc1ccccc1)N1CCC(CC(=O)N2CCC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000019748221 558267459 /nfs/dbraw/zinc/26/74/59/558267459.db2.gz ORYRLVLRUPOCHP-HSZRJFAPSA-N 1 0 411.590 3.192 40 0 HGABRO CC1CC[NH+](CC(=O)N2CCC[C@H](N(C)C(=O)c3nccc4ccccc43)CC2)CC1 ZINC000019749772 558269492 /nfs/dbraw/zinc/26/94/92/558269492.db2.gz FYANTWYEBJXMQB-NRFANRHFSA-N 1 0 422.573 3.420 40 0 HGABRO CNc1nc(C2CC[NH+](CCCc3ccccc3)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019753052 558272255 /nfs/dbraw/zinc/27/22/55/558272255.db2.gz CWRHKANLMFQLNC-UHFFFAOYSA-N 1 0 407.562 3.235 40 0 HGABRO CCOc1ccc(C[NH+]2CCC(Cc3nc(C)ncc3C(=O)NC)CC2)cc1OC ZINC000019757259 558274724 /nfs/dbraw/zinc/27/47/24/558274724.db2.gz USHMJKIDVNCCFV-UHFFFAOYSA-N 1 0 412.534 3.007 40 0 HGABRO COCCNC(=O)c1cc([C@@H]2CC[N@H+](Cc3cnc(C)s3)C2)nc2ccccc21 ZINC000019761102 558276374 /nfs/dbraw/zinc/27/63/74/558276374.db2.gz FOPLOHYKAYHPLI-MRXNPFEDSA-N 1 0 410.543 3.365 40 0 HGABRO CC(C)NC(=O)c1cc([C@@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)nc2ccccc21 ZINC000019761237 558276676 /nfs/dbraw/zinc/27/66/76/558276676.db2.gz BGEJTGBFZKJVDJ-GOSISDBHSA-N 1 0 418.545 3.219 40 0 HGABRO Cc1nc([C@H]2CCC[N@H+](Cc3cccnc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019766286 558278459 /nfs/dbraw/zinc/27/84/59/558278459.db2.gz CKBPLDHMLWTILE-NRFANRHFSA-N 1 0 401.514 3.490 40 0 HGABRO CCOC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000012156691 558340463 /nfs/dbraw/zinc/34/04/63/558340463.db2.gz BDJJGWUCPMHXPT-YLJYHZDGSA-N 1 0 418.509 3.391 40 0 HGABRO CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000023416676 558557721 /nfs/dbraw/zinc/55/77/21/558557721.db2.gz SYRCMHIBWORRKL-UHFFFAOYSA-N 1 0 415.559 3.118 40 0 HGABRO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000015360749 558735867 /nfs/dbraw/zinc/73/58/67/558735867.db2.gz YKOLAWLFBQDVBT-UHFFFAOYSA-N 1 0 401.532 3.109 40 0 HGABRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3F)c2)cc1 ZINC000016450069 558792251 /nfs/dbraw/zinc/79/22/51/558792251.db2.gz WGDUKXDDMQDOJL-UHFFFAOYSA-N 1 0 414.502 3.384 40 0 HGABRO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@@H]3C=C12 ZINC000036507695 558800002 /nfs/dbraw/zinc/80/00/02/558800002.db2.gz MQSZZIBOTGMDJA-AUFOZIDESA-N 1 0 412.530 3.352 40 0 HGABRO C[NH+]1CCC(N(C[C@H]2CCCO2)C(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)CC1 ZINC000019082379 558840184 /nfs/dbraw/zinc/84/01/84/558840184.db2.gz FSYYZQNTUZPECY-FUHWJXTLSA-N 1 0 402.583 3.276 40 0 HGABRO Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCC[N@H+](Cc3ccccn3)C2)on1 ZINC000019122226 558843594 /nfs/dbraw/zinc/84/35/94/558843594.db2.gz YZQSCSJPLDNZMX-GOSISDBHSA-N 1 0 420.517 3.051 40 0 HGABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H](C)[NH+]3CCCCC3)C1)N2 ZINC000019127276 558844685 /nfs/dbraw/zinc/84/46/85/558844685.db2.gz CRIDRIBBLXSDEO-ZJPYXAASSA-N 1 0 409.525 3.295 40 0 HGABRO Cc1ccc(C2(O)CC[NH+](Cc3ccc(OCCN4CCOCC4)cc3)CC2)cc1 ZINC000019208602 558847555 /nfs/dbraw/zinc/84/75/55/558847555.db2.gz LNMAAECLDWHWEZ-UHFFFAOYSA-N 1 0 410.558 3.190 40 0 HGABRO Cc1c(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)COCCC(=O)N3)c2ccc(C)cc2n1C ZINC000019221441 558851989 /nfs/dbraw/zinc/85/19/89/558851989.db2.gz GGUPQLCNCOKRFM-DHLKQENFSA-N 1 0 418.541 3.065 40 0 HGABRO O=C1CCOC[C@]2(C[N@H+](Cc3ccc(OC4CCCC4)cc3)C[C@H]2c2cccnc2)N1 ZINC000019340003 558871379 /nfs/dbraw/zinc/87/13/79/558871379.db2.gz PAAFXOJZMIUDJG-ZCYQVOJMSA-N 1 0 421.541 3.278 40 0 HGABRO O=C(c1ccc(F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCCOCC1 ZINC000019372509 558879899 /nfs/dbraw/zinc/87/98/99/558879899.db2.gz MCDFXQGYZIOSCK-FGZHOGPDSA-N 1 0 410.489 3.006 40 0 HGABRO COc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)cc1OC(C)C ZINC000019450503 558888908 /nfs/dbraw/zinc/88/89/08/558888908.db2.gz OEGHEXDDQQJRLT-RJGXRXQPSA-N 1 0 410.558 3.345 40 0 HGABRO C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCC(C)CC2)CC3)C1 ZINC000019495960 558894872 /nfs/dbraw/zinc/89/48/72/558894872.db2.gz LRJJRJGCDCTXNE-XMMCJJCJSA-N 1 0 412.578 3.481 40 0 HGABRO CCOCc1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2Cc2ccccc2)ccc1OC ZINC000019531196 558911877 /nfs/dbraw/zinc/91/18/77/558911877.db2.gz JXYITIWSSJXLES-TZRRMPRUSA-N 1 0 410.558 3.094 40 0 HGABRO CCOc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1OC ZINC000019533733 558913333 /nfs/dbraw/zinc/91/33/33/558913333.db2.gz AKRMOPBYDQUOBY-GOSISDBHSA-N 1 0 406.486 3.229 40 0 HGABRO COc1ccc([C@@H](NC(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)c2ccccc2)cc1 ZINC000019553321 558916607 /nfs/dbraw/zinc/91/66/07/558916607.db2.gz JDQHNFAGRDFFBK-UPVQGACJSA-N 1 0 421.541 3.034 40 0 HGABRO C[N@@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(C(=O)c2ccncc2)CC1 ZINC000019587621 558939872 /nfs/dbraw/zinc/93/98/72/558939872.db2.gz RRGQNNGSPXJTOA-WIYYLYMNSA-N 1 0 410.493 3.032 40 0 HGABRO CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000019590934 558941175 /nfs/dbraw/zinc/94/11/75/558941175.db2.gz JVMXIDZENVPFCE-OAQYLSRUSA-N 1 0 407.518 3.165 40 0 HGABRO CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000072344890 558941357 /nfs/dbraw/zinc/94/13/57/558941357.db2.gz FEYAJFSJHUDSSL-IBGZPJMESA-N 1 0 418.563 3.326 40 0 HGABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019591328 558941620 /nfs/dbraw/zinc/94/16/20/558941620.db2.gz MGMKWPYONXMYTF-XMMPIXPASA-N 1 0 401.514 3.110 40 0 HGABRO CNc1cc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)nc(-c2cccnc2)n1 ZINC000019592240 558943113 /nfs/dbraw/zinc/94/31/13/558943113.db2.gz RDZYYOIHCMWBGG-OAQYLSRUSA-N 1 0 402.502 3.034 40 0 HGABRO O=C(C[NH+]1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1)N1CCOCC1 ZINC000072348741 558945519 /nfs/dbraw/zinc/94/55/19/558945519.db2.gz XDBSVMDWPHURDF-UHFFFAOYSA-N 1 0 413.949 3.364 40 0 HGABRO COc1nn(CC(=O)Nc2ccccc2C[NH+]2CCCCC2)c(=O)c2ccccc21 ZINC000019594904 558945538 /nfs/dbraw/zinc/94/55/38/558945538.db2.gz ZSLOBFRZQDKVJQ-UHFFFAOYSA-N 1 0 406.486 3.030 40 0 HGABRO Cc1nc([C@H]2CCCN2C(=O)C[NH+](C)C)nc2c1CCCN2CCc1ccccc1 ZINC000072373759 558961278 /nfs/dbraw/zinc/96/12/78/558961278.db2.gz LIBOZDRXIPYAED-OAQYLSRUSA-N 1 0 407.562 3.005 40 0 HGABRO Cc1nc([C@@H]2CCCN2C(=O)C[NH+](C)C)nc2c1CCCN2CCc1ccccc1 ZINC000072373758 558961290 /nfs/dbraw/zinc/96/12/90/558961290.db2.gz LIBOZDRXIPYAED-NRFANRHFSA-N 1 0 407.562 3.005 40 0 HGABRO COCC[N@@H+]1CCCC[C@H]1c1nc(N(C)C)ncc1-c1c(OC)cccc1OC ZINC000072376817 558966151 /nfs/dbraw/zinc/96/61/51/558966151.db2.gz ANHPSJZZHLKHRT-KRWDZBQOSA-N 1 0 400.523 3.400 40 0 HGABRO O=c1cc([C@@H]2CCC[N@H+](Cc3coc4ccccc4c3=O)C2)nc(-c2ccccn2)[nH]1 ZINC000072393247 558972717 /nfs/dbraw/zinc/97/27/17/558972717.db2.gz NBNIMQRKLUVYLV-MRXNPFEDSA-N 1 0 414.465 3.318 40 0 HGABRO Cc1ccc(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)cc1 ZINC000072394956 558973852 /nfs/dbraw/zinc/97/38/52/558973852.db2.gz KENWIABETVAWCT-ZEQRLZLVSA-N 1 0 421.585 3.353 40 0 HGABRO COc1ccc2c(c1)c([C@H]1C[N@H+](Cc3cccc(OC)c3)C[C@@H]1NC(C)=O)cn2C ZINC000072395549 558974518 /nfs/dbraw/zinc/97/45/18/558974518.db2.gz KAEHZSISVCNDSG-PKTZIBPZSA-N 1 0 407.514 3.300 40 0 HGABRO CCC(=O)N[C@H]1C[N@@H+](Cc2cnn(CC)c2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395725 558974807 /nfs/dbraw/zinc/97/48/07/558974807.db2.gz FNQHOUXDCFNLHH-YADHBBJMSA-N 1 0 423.561 3.206 40 0 HGABRO Cc1sc2ncnc(N3CCC(C(=O)N[C@H](C)C[NH+]4CCCC4)CC3)c2c1C ZINC000019716467 558978516 /nfs/dbraw/zinc/97/85/16/558978516.db2.gz HWYXNELQLNDERI-CQSZACIVSA-N 1 0 401.580 3.125 40 0 HGABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)cc1 ZINC000585104170 559025851 /nfs/dbraw/zinc/02/58/51/559025851.db2.gz MDCXQIOADCRQPI-QHCPKHFHSA-N 1 0 423.557 3.299 40 0 HGABRO CCCN1CCN(C(=O)CC[NH3+])C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183647 559070474 /nfs/dbraw/zinc/07/04/74/559070474.db2.gz YWNWDCFXDPUFAV-FQEVSTJZSA-N 1 0 411.521 3.081 40 0 HGABRO Cn1cc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc2O3)cn1 ZINC000096053384 559093363 /nfs/dbraw/zinc/09/33/63/559093363.db2.gz NUBJELZSPVHNPW-LJQANCHMSA-N 1 0 408.546 3.380 40 0 HGABRO CNC(=O)[C@@]12CCC3(CCN(C(=O)Nc4ccc(Cl)cc4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096143836 559096264 /nfs/dbraw/zinc/09/62/64/559096264.db2.gz YYTKANNJWRWJAL-LAUBAEHRSA-N 1 0 404.942 3.042 40 0 HGABRO Cc1cccc(NC(=O)N2CCC3(C[N@@H+](CC(C)C)C[C@]34CCN(C)C4=O)CC2)c1 ZINC000096144214 559096540 /nfs/dbraw/zinc/09/65/40/559096540.db2.gz LJVFBUFUTVNVIH-DEOSSOPVSA-N 1 0 412.578 3.429 40 0 HGABRO CCN1CC[C@@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)Cc2ccsc2)CC3)C1=O ZINC000096144330 559096652 /nfs/dbraw/zinc/09/66/52/559096652.db2.gz LYYQDOHJPAJPAZ-HSZRJFAPSA-N 1 0 417.619 3.110 40 0 HGABRO CN1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)COc2ccccc2S1(=O)=O ZINC000096145097 559097025 /nfs/dbraw/zinc/09/70/25/559097025.db2.gz QVZJIMFXZBJZFT-UHFFFAOYSA-N 1 0 404.507 3.121 40 0 HGABRO CCN1CC2(CC[NH+](CCc3ccccc3)CC2)COc2ccccc2S1(=O)=O ZINC000096145135 559097070 /nfs/dbraw/zinc/09/70/70/559097070.db2.gz ULANCJCNWAZXAV-UHFFFAOYSA-N 1 0 414.571 3.415 40 0 HGABRO Cc1ccc(NC(=O)c2ccc3nnc([C@@H]4CC[N@H+](Cc5cccnc5)C4)n3c2)cn1 ZINC000096156207 559100354 /nfs/dbraw/zinc/10/03/54/559100354.db2.gz FGVQNDOLAGJXMY-GOSISDBHSA-N 1 0 413.485 3.070 40 0 HGABRO Cc1ccc(N2CCN(CC3CC3)C3(CC[NH+](Cc4cccc(C)n4)CC3)C2=O)cn1 ZINC000096230382 559102960 /nfs/dbraw/zinc/10/29/60/559102960.db2.gz QCJLBZYQKYAJJX-UHFFFAOYSA-N 1 0 419.573 3.187 40 0 HGABRO Cc1ncccc1NC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](CC3CCCC3)CC2)O1 ZINC000096243884 559105005 /nfs/dbraw/zinc/10/50/05/559105005.db2.gz KMRAYBVXDWAUHF-HXUWFJFHSA-N 1 0 409.534 3.105 40 0 HGABRO CCN1CC[C@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2occc2C)CC3)C1=O ZINC000096262756 559106782 /nfs/dbraw/zinc/10/67/82/559106782.db2.gz XFSVCMDVYPTRAF-QHCPKHFHSA-N 1 0 401.551 3.021 40 0 HGABRO Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000096266335 559107739 /nfs/dbraw/zinc/10/77/39/559107739.db2.gz BAZINZBWVJOXDZ-UHFFFAOYSA-N 1 0 404.518 3.392 40 0 HGABRO OCCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000585269144 559113570 /nfs/dbraw/zinc/11/35/70/559113570.db2.gz POCVFSZEBIPMDK-PMACEKPBSA-N 1 0 412.313 3.379 40 0 HGABRO CO[C@H]1C[N@H+](Cc2ccc(OCCN3CCCC3=O)cc2)C[C@@H]1Oc1cccc(C)c1 ZINC000585268769 559113764 /nfs/dbraw/zinc/11/37/64/559113764.db2.gz GSSZBHLLAJSNEK-ZEQRLZLVSA-N 1 0 424.541 3.274 40 0 HGABRO OC1(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CCCCCC1 ZINC000585284665 559121283 /nfs/dbraw/zinc/12/12/83/559121283.db2.gz YZUZBVUHRSKNJG-HXUWFJFHSA-N 1 0 401.906 3.007 40 0 HGABRO Cc1nc(Nc2cc([C@H]3CCN(C(=O)/C=C/C[NH+](C)C)C3)nc(C)n2)sc1C ZINC000585293291 559125805 /nfs/dbraw/zinc/12/58/05/559125805.db2.gz ZCPYXTHANVMGQK-MOEXGYKKSA-N 1 0 400.552 3.036 40 0 HGABRO Cc1c(F)cccc1NC(=O)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257294110 559285805 /nfs/dbraw/zinc/28/58/05/559285805.db2.gz QSMKZWOKUCRBFK-UPVQGACJSA-N 1 0 411.521 3.174 40 0 HGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409058590 560670781 /nfs/dbraw/zinc/67/07/81/560670781.db2.gz TTZURWNJSDDGEE-AYHYUOJHSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccccc2)cc1 ZINC000409058881 560670809 /nfs/dbraw/zinc/67/08/09/560670809.db2.gz LXTDSIBAAOJGBD-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409059609 560670992 /nfs/dbraw/zinc/67/09/92/560670992.db2.gz SMHAFNGUVCRNNG-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000409053633 560671185 /nfs/dbraw/zinc/67/11/85/560671185.db2.gz GPLCAAAEVGAVON-CIPQKONYSA-O 1 0 422.867 3.495 40 0 HGABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409063601 560671982 /nfs/dbraw/zinc/67/19/82/560671982.db2.gz AFOXKHJZUWXECS-DCFWFYTKSA-O 1 0 402.449 3.150 40 0 HGABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409071074 560673257 /nfs/dbraw/zinc/67/32/57/560673257.db2.gz OHFARTPJQPCRIF-WAUWHALJSA-O 1 0 416.476 3.459 40 0 HGABRO O=C(CN1Cc2ccccc2C1=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000409415251 560723612 /nfs/dbraw/zinc/72/36/12/560723612.db2.gz YANKGUFDQNGLKJ-CETSDDCJSA-N 1 0 405.542 3.064 40 0 HGABRO COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000006287964 560741000 /nfs/dbraw/zinc/74/10/00/560741000.db2.gz DIELTMCRNJNNPR-UHFFFAOYSA-N 1 0 418.950 3.227 40 0 HGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(I)cc2)C1 ZINC000010542900 560770240 /nfs/dbraw/zinc/77/02/40/560770240.db2.gz OUVBVXAIUWEIHD-OKILXGFUSA-N 1 0 400.304 3.389 40 0 HGABRO Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1N1CCCCS1(=O)=O ZINC000260561332 560789391 /nfs/dbraw/zinc/78/93/91/560789391.db2.gz BUUPZTQAUZDDOH-ROUUACIJSA-N 1 0 421.607 3.023 40 0 HGABRO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000013062939 560793026 /nfs/dbraw/zinc/79/30/26/560793026.db2.gz WOVUWEXTIHITJF-BZSNNMDCSA-N 1 0 407.580 3.166 40 0 HGABRO COc1ccc(Cn2nnnc2[C@@H](CC(C)C)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020141391 560881589 /nfs/dbraw/zinc/88/15/89/560881589.db2.gz XPBHBAUGUJNIHZ-JOCHJYFZSA-N 1 0 412.582 3.377 40 0 HGABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]C[C@@H](O)c3ccccc3)o2)c1 ZINC000022108599 568475344 /nfs/dbraw/zinc/47/53/44/568475344.db2.gz NZWJRPYBXMSQOQ-HXUWFJFHSA-N 1 0 409.438 3.343 40 0 HGABRO CCCCCC[NH+]1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 ZINC000604381778 568489254 /nfs/dbraw/zinc/48/92/54/568489254.db2.gz NZISMWWLJRXVHL-HXUWFJFHSA-N 1 0 405.970 3.131 40 0 biogenic,in-vitro HGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]CC2CCCCC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382043 568489441 /nfs/dbraw/zinc/48/94/41/568489441.db2.gz ALNCVYRJOPUTNX-OHUMZHCVSA-N 1 0 413.537 3.353 40 0 biogenic,in-vitro HGABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000223279708 568543953 /nfs/dbraw/zinc/54/39/53/568543953.db2.gz WEAFRXZXXLMPLT-SFTDATJTSA-N 1 0 407.543 3.112 40 0 HGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000224008576 568566109 /nfs/dbraw/zinc/56/61/09/568566109.db2.gz HXDRUJXVXBWPMZ-CQSZACIVSA-N 1 0 402.944 3.060 40 0 HGABRO CCCn1c2ccc(S(=O)(=O)NCCC[NH+]3CCCCCC3)cc2sc1=O ZINC000225727682 568668542 /nfs/dbraw/zinc/66/85/42/568668542.db2.gz GSLRBZFZIFRYCT-UHFFFAOYSA-N 1 0 411.593 3.017 40 0 HGABRO OCc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCc4ccccc4)nc23)cc1 ZINC000247945963 568746058 /nfs/dbraw/zinc/74/60/58/568746058.db2.gz QXGYADVRXUGFAP-VWLOTQADSA-N 1 0 416.525 3.255 40 0 HGABRO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000257212076 568779582 /nfs/dbraw/zinc/77/95/82/568779582.db2.gz CBVGLQQPOMOTKT-DEOSSOPVSA-N 1 0 402.498 3.075 40 0 HGABRO COc1ccc([C@@H]2OCC[C@@]3(NC(C)=O)[C@H]2C[C@@H]2C[C@H]3[C@@H](C)[NH2+]C2(C)C)cc1OC ZINC000257230765 568785100 /nfs/dbraw/zinc/78/51/00/568785100.db2.gz GDVJLBNKKVSMEL-HFUIWYEOSA-N 1 0 416.562 3.453 40 0 HGABRO CCOc1ccc(C[NH+]2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1CO ZINC000257278179 568798043 /nfs/dbraw/zinc/79/80/43/568798043.db2.gz OBDXOQDPQIZPHL-UHFFFAOYSA-N 1 0 420.517 3.281 40 0 HGABRO O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257280675 568798678 /nfs/dbraw/zinc/79/86/78/568798678.db2.gz OLWBCKRDBQHMCW-FQEVSTJZSA-N 1 0 409.452 3.395 40 0 HGABRO CCCCc1cc(C(=O)N2CCC[C@@](O)(C[N@H+](C)Cc3ccc(F)cc3)CC2)[nH]n1 ZINC000257318079 568809902 /nfs/dbraw/zinc/80/99/02/568809902.db2.gz VMKKAWZIZXVJND-QHCPKHFHSA-N 1 0 416.541 3.381 40 0 HGABRO CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)C[NH+]1CCCC1 ZINC000257331044 568813405 /nfs/dbraw/zinc/81/34/05/568813405.db2.gz XREISCPVLQAKGO-CAIUVPPLSA-N 1 0 423.601 3.474 40 0 HGABRO Cc1nc(CN2CC[C@]3(C[N@@H+](CC4CC4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306124837 568887624 /nfs/dbraw/zinc/88/76/24/568887624.db2.gz CARBMIHRZCCRHW-SIKLNZKXSA-N 1 0 413.591 3.457 40 0 HGABRO O=C(NCC1CCCCC1)C1CCN(C2=NO[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000306125830 568888640 /nfs/dbraw/zinc/88/86/40/568888640.db2.gz DDDYMHSPRXAZRJ-XZOQPEGZSA-N 1 0 424.589 3.239 40 0 HGABRO COCCN1CC[C@@]2(C[N@H+](Cc3ccc(C)s3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128039 568890642 /nfs/dbraw/zinc/89/06/42/568890642.db2.gz GOMYVPNLMNMZHY-KNQAVFIVSA-N 1 0 416.591 3.298 40 0 HGABRO Cc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)s1 ZINC000306131013 568893382 /nfs/dbraw/zinc/89/33/82/568893382.db2.gz JUUVTNYBSFMMCM-GJZGRUSLSA-N 1 0 411.506 3.344 40 0 HGABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306132051 568894498 /nfs/dbraw/zinc/89/44/98/568894498.db2.gz KWOZQSAPOSINPM-OALUTQOASA-N 1 0 421.932 3.166 40 0 HGABRO CC[NH+](CC)C[C@H]1CC2(CCN(C(=O)c3sc(Br)nc3C)CC2)O1 ZINC000306136419 568898264 /nfs/dbraw/zinc/89/82/64/568898264.db2.gz PSWAAQSKRIYQCT-CYBMUJFWSA-N 1 0 416.385 3.320 40 0 HGABRO COc1ccc(CN2CCN(C)[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)cc1 ZINC000306139572 568901399 /nfs/dbraw/zinc/90/13/99/568901399.db2.gz TUPBMFDTPQIBOZ-QHCPKHFHSA-N 1 0 414.513 3.289 40 0 HGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccoc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306141154 568902833 /nfs/dbraw/zinc/90/28/33/568902833.db2.gz VMRUAEYDKAPYQI-URXFXBBRSA-N 1 0 419.529 3.470 40 0 HGABRO Cc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)cc1C ZINC000306143426 568904930 /nfs/dbraw/zinc/90/49/30/568904930.db2.gz YCBPZYXDLLLHSW-FCHUYYIVSA-N 1 0 415.541 3.129 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)n1 ZINC000329070033 568975718 /nfs/dbraw/zinc/97/57/18/568975718.db2.gz ZDFKZYJUYLQULJ-UHFFFAOYSA-N 1 0 408.319 3.207 40 0 HGABRO O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000524729512 569291482 /nfs/dbraw/zinc/29/14/82/569291482.db2.gz WJXXWLHUWHORMV-IHIDTBFHSA-N 1 0 423.557 3.050 40 0 HGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3C[C@@H]3C)[nH]c(=O)c2C1 ZINC000253599071 569318393 /nfs/dbraw/zinc/31/83/93/569318393.db2.gz KPUFZVQSVZKBBN-MPGHIAIKSA-N 1 0 412.559 3.430 40 0 HGABRO CCC(=O)N1CCc2cc([C@@H](O)C[N@@H+]3CCC[C@@](O)(c4ccccc4OC)C3)ccc21 ZINC000012181132 569344591 /nfs/dbraw/zinc/34/45/91/569344591.db2.gz BYBQVVZADSKVRJ-DHLKQENFSA-N 1 0 424.541 3.011 40 0 HGABRO COc1ccc(-c2nccnc2[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CCO2)cc1 ZINC000019693443 569346410 /nfs/dbraw/zinc/34/64/10/569346410.db2.gz NECRYJMMKFJNIR-OAQYLSRUSA-N 1 0 424.545 3.173 40 0 HGABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857107 569352108 /nfs/dbraw/zinc/35/21/08/569352108.db2.gz BXLUAGFQRDOCEO-LPHOPBHVSA-N 1 0 418.534 3.319 40 0 HGABRO [NH3+][C@@H](C(=O)NCC1CCC(c2ccnc(Nc3cnccn3)n2)CC1)c1ccccc1 ZINC000072380007 569352535 /nfs/dbraw/zinc/35/25/35/569352535.db2.gz UYJWXRUVRXCYAF-MYKUNDNFSA-N 1 0 417.517 3.100 40 0 HGABRO Cc1c([N+]2=C3CCCCCN3[C@](O)(c3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000027525039 569363712 /nfs/dbraw/zinc/36/37/12/569363712.db2.gz NMMZSHYZHJBPGE-RUZDIDTESA-N 1 0 417.533 3.135 40 0 HGABRO CC(C)c1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NCC[NH+](C)C)n1 ZINC000328974192 571306400 /nfs/dbraw/zinc/30/64/00/571306400.db2.gz FDWXHLJVWFNMIU-UHFFFAOYSA-N 1 0 423.483 4.035 40 0 HGABRO CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc(OC)cc2)nn1C ZINC000008635297 291234020 /nfs/dbraw/zinc/23/40/20/291234020.db2.gz WHTNZQHPDMCEMQ-NSHGMRRFSA-N 1 0 412.534 3.410 40 0 biogenic,in-vitro HGABRO COc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000008635403 291239876 /nfs/dbraw/zinc/23/98/76/291239876.db2.gz LNFZAYRNXSIKEL-NSHGMRRFSA-N 1 0 420.513 3.297 40 0 biogenic,in-vitro HGABRO CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(O)(c4cccc(C)c4)CC3)ccc21 ZINC000012326559 132358745 /nfs/dbraw/zinc/35/87/45/132358745.db2.gz UVRLYJQWDCYCBN-DEOSSOPVSA-N 1 0 408.542 3.311 40 0 HGABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1 ZINC000044857117 524387572 /nfs/dbraw/zinc/38/75/72/524387572.db2.gz YSNFTZCHFUASJS-SFHVURJKSA-N 1 0 414.571 3.488 40 0 HGABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857137 524912525 /nfs/dbraw/zinc/91/25/25/524912525.db2.gz SGPVUIMXCNGYDX-INIZCTEOSA-N 1 0 418.534 3.319 40 0 HGABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000044857115 525134170 /nfs/dbraw/zinc/13/41/70/525134170.db2.gz CECULAIUGKRMPU-SFHVURJKSA-N 1 0 414.571 3.488 40 0 HGABRO CC[NH+](CC)CCCNC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000005043529 557629045 /nfs/dbraw/zinc/62/90/45/557629045.db2.gz AQZUUPMUTGQWEW-UHFFFAOYSA-N 1 0 409.412 3.470 40 0 HGABRO Cc1nnc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3ccc(C)c(C)c3)n2)s1 ZINC000010156497 557856068 /nfs/dbraw/zinc/85/60/68/557856068.db2.gz ITRJDBHZXBPGMT-UHFFFAOYSA-N 1 0 401.521 3.298 40 0 HGABRO COc1cccc(CNC(=O)c2cnc([C@H]3CC[N@H+](Cc4cccnc4)C3)nc2C)c1 ZINC000019759007 558275490 /nfs/dbraw/zinc/27/54/90/558275490.db2.gz ZCTKYTHWIYTGLA-FQEVSTJZSA-N 1 0 417.513 3.108 40 0 HGABRO CC(=O)N1c2ccc([C@H](O)C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)cc2C[C@H]1C ZINC000012146833 558338119 /nfs/dbraw/zinc/33/81/19/558338119.db2.gz VLOYFEDSIKUYRS-WAIKUNEKSA-N 1 0 412.505 3.140 40 0 HGABRO CC(C)n1c2ccc(S(=O)(=O)N3CCCC[C@H]3C[NH+]3CCCCC3)cc2oc1=O ZINC000012220620 558355620 /nfs/dbraw/zinc/35/56/20/558355620.db2.gz FKBXPEYNLYAUGW-KRWDZBQOSA-N 1 0 421.563 3.205 40 0 HGABRO Cc1cc(-c2cnc(N3CCCC3)nc2C2CC[NH+](Cc3ccnn3C)CC2)on1 ZINC000012232383 558358324 /nfs/dbraw/zinc/35/83/24/558358324.db2.gz BRXIPNNXKDXUCV-UHFFFAOYSA-N 1 0 407.522 3.153 40 0 HGABRO CC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012293414 558366535 /nfs/dbraw/zinc/36/65/35/558366535.db2.gz BLNYQDPZICOFAH-VXKWHMMOSA-N 1 0 410.514 3.338 40 0 HGABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000012329592 558384226 /nfs/dbraw/zinc/38/42/26/558384226.db2.gz YGGHHNMUCCCVAX-VQTJNVASSA-N 1 0 405.441 3.358 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(CC)cc1 ZINC000020636809 558396102 /nfs/dbraw/zinc/39/61/02/558396102.db2.gz DZNASELIPNGVDN-NHCUHLMSSA-N 1 0 405.498 3.014 40 0 HGABRO CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN2CC[NH+](C3CCCC3)CC2)C1 ZINC000023089286 558533864 /nfs/dbraw/zinc/53/38/64/558533864.db2.gz ZUZHQNUAJZGWEA-IBGZPJMESA-N 1 0 409.578 3.349 40 0 HGABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)cc1 ZINC000039763774 558685859 /nfs/dbraw/zinc/68/58/59/558685859.db2.gz JGDYOJDVYYTLTJ-UHFFFAOYSA-N 1 0 421.541 3.318 40 0 HGABRO CCOC(=O)COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)CC2 ZINC000034104850 558772889 /nfs/dbraw/zinc/77/28/89/558772889.db2.gz RDJQCOBTKKAQAH-TZIWHRDSSA-N 1 0 403.906 3.462 40 0 HGABRO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccccc4)CC3)ccc21 ZINC000036741218 558802027 /nfs/dbraw/zinc/80/20/27/558802027.db2.gz VGWXPEQHZPQBDU-DEOSSOPVSA-N 1 0 407.558 3.477 40 0 HGABRO CCC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccccc4OC)CC3)ccc21 ZINC000036741243 558802128 /nfs/dbraw/zinc/80/21/28/558802128.db2.gz YEGKEAUIDDLKHQ-QHCPKHFHSA-N 1 0 423.557 3.240 40 0 HGABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@@H](C)[NH+]3CCCCC3)CC1)N2 ZINC000019128361 558845002 /nfs/dbraw/zinc/84/50/02/558845002.db2.gz PEKWZKUYLHYDLI-BPQIPLTHSA-N 1 0 409.525 3.295 40 0 HGABRO OC1(c2ccc(F)cc2)CC[NH+](Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000019333784 558869186 /nfs/dbraw/zinc/86/91/86/558869186.db2.gz LRDMWTPYOHGUSK-UHFFFAOYSA-N 1 0 414.521 3.020 40 0 HGABRO c1cncc(C[N@@H+]2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)c1 ZINC000019339029 558870844 /nfs/dbraw/zinc/87/08/44/558870844.db2.gz LHKQVTJNOUOCKG-NRFANRHFSA-N 1 0 416.529 3.150 40 0 HGABRO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)no1)N1CCC(O)CC1 ZINC000019347017 558873573 /nfs/dbraw/zinc/87/35/73/558873573.db2.gz BDYHQQRBDOEVHN-IBGZPJMESA-N 1 0 420.513 3.199 40 0 HGABRO COc1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2Cc2ccccc2)ccc1OC(C)C ZINC000019450782 558889054 /nfs/dbraw/zinc/88/90/54/558889054.db2.gz BWNXHDWLQWTTNZ-XPWALMASSA-N 1 0 410.558 3.345 40 0 HGABRO CCCOc1c(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2Cc2ccccc2)cccc1OC ZINC000019503808 558900798 /nfs/dbraw/zinc/90/07/98/558900798.db2.gz GZAXKRNQCJBMIL-XPWALMASSA-N 1 0 410.558 3.346 40 0 HGABRO CCn1cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)COCCC(=O)N3)c2ccc(F)cc21 ZINC000019524737 558906058 /nfs/dbraw/zinc/90/60/58/558906058.db2.gz BUOKYQAKSVBRMS-URXFXBBRSA-N 1 0 422.504 3.070 40 0 HGABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CCC4)[nH]c(=O)c3C2)cc1 ZINC000019555496 558918101 /nfs/dbraw/zinc/91/81/01/558918101.db2.gz SYNMDAHUMQXENZ-NRFANRHFSA-N 1 0 422.529 3.213 40 0 HGABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2NC(=O)c2ccccn2)cc1OC ZINC000019561451 558922090 /nfs/dbraw/zinc/92/20/90/558922090.db2.gz DWVBQYMZCQDERX-IRLDBZIGSA-N 1 0 417.509 3.497 40 0 HGABRO COc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)no2)c1 ZINC000019565647 558925419 /nfs/dbraw/zinc/92/54/19/558925419.db2.gz DQWFPUFGQHSRFL-LJQANCHMSA-N 1 0 406.486 3.388 40 0 HGABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2cc(C(=O)NCc3ccncc3)on2)C1 ZINC000019570314 558929116 /nfs/dbraw/zinc/92/91/16/558929116.db2.gz NHMPQEIFWHGLOZ-SFHVURJKSA-N 1 0 406.486 3.388 40 0 HGABRO Cc1cc(C)n2nc(CC(=O)Nc3ccc(CC[C@@H]4CC[N@@H+](C)C[C@@H]4C)cc3)nc2n1 ZINC000072335303 558936429 /nfs/dbraw/zinc/93/64/29/558936429.db2.gz BGGZICMIEFPWTK-OXJNMPFZSA-N 1 0 420.561 3.443 40 0 HGABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2NC(=O)c2cn(C)nc2C)cc1 ZINC000019583649 558938013 /nfs/dbraw/zinc/93/80/13/558938013.db2.gz RSPKKKBPFIEFCE-PKTZIBPZSA-N 1 0 404.514 3.135 40 0 HGABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000019591338 558941641 /nfs/dbraw/zinc/94/16/41/558941641.db2.gz BJLYOQXRZHXHBN-XMMPIXPASA-N 1 0 401.514 3.110 40 0 HGABRO Cc1nc(C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)ncc1C(=O)N1CCOCC1 ZINC000072346276 558943345 /nfs/dbraw/zinc/94/33/45/558943345.db2.gz LNNNKVUAMMVQTF-UHFFFAOYSA-N 1 0 419.529 3.118 40 0 HGABRO COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019593236 558944369 /nfs/dbraw/zinc/94/43/69/558944369.db2.gz HYCNNXBSAHFYPV-VGOFRKELSA-N 1 0 403.473 3.466 40 0 HGABRO COc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2C[NH+]2CCCCC2)CC1 ZINC000019654671 558948007 /nfs/dbraw/zinc/94/80/07/558948007.db2.gz HAKCGVRZFWPDBX-UHFFFAOYSA-N 1 0 421.541 3.279 40 0 HGABRO COCc1ccc(OC)c(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c1 ZINC000072352943 558949434 /nfs/dbraw/zinc/94/94/34/558949434.db2.gz RSPVRODVYWDRDD-IBGZPJMESA-N 1 0 420.513 3.367 40 0 HGABRO CCn1cnc2sc(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+](C)C)c(C)c2c1=O ZINC000019660305 558951613 /nfs/dbraw/zinc/95/16/13/558951613.db2.gz ZNNVSZYHKLEFAS-OAHLLOKOSA-N 1 0 418.950 3.472 40 0 HGABRO Cc1ccn(CCNC(=O)C2(Cc3cccc([C@H]4CCC[N@@H+](C)C4)c3)CCOCC2)n1 ZINC000072372224 558959537 /nfs/dbraw/zinc/95/95/37/558959537.db2.gz HGWRZAKODFSUQD-QHCPKHFHSA-N 1 0 424.589 3.156 40 0 HGABRO CCc1nnc(Nc2cccc([C@@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)n2)s1 ZINC000072375945 558965158 /nfs/dbraw/zinc/96/51/58/558965158.db2.gz MRTROMBQUFZXLI-OAHLLOKOSA-N 1 0 400.552 3.041 40 0 HGABRO COc1cccc(CN2CC=CC[C@@H](C3CC[NH+](Cc4ccnn4C)CC3)C2=O)c1 ZINC000019698537 558966197 /nfs/dbraw/zinc/96/61/97/558966197.db2.gz KYZMNXLBBABEGK-QHCPKHFHSA-N 1 0 408.546 3.246 40 0 HGABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C1)OCO2 ZINC000072393270 558972635 /nfs/dbraw/zinc/97/26/35/558972635.db2.gz CVOLSSIDFMAHPS-INIZCTEOSA-N 1 0 404.470 3.249 40 0 HGABRO Cn1cc(C(=O)NC2CC[NH+](CC3(c4cccc(F)c4)CCCC3)CC2)ccc1=O ZINC000072393476 558972979 /nfs/dbraw/zinc/97/29/79/558972979.db2.gz NBGXLCCTYHHNIP-UHFFFAOYSA-N 1 0 411.521 3.231 40 0 HGABRO CCn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2ccc(F)cc21 ZINC000072394818 558973843 /nfs/dbraw/zinc/97/38/43/558973843.db2.gz NDJCREJKNMEMCJ-VXMMSVGHSA-N 1 0 424.520 3.224 40 0 HGABRO CCn1cnc2sc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)c(C)c2c1=O ZINC000019717349 558979916 /nfs/dbraw/zinc/97/99/16/558979916.db2.gz BQKLDHFYQUWLRF-UHFFFAOYSA-N 1 0 410.543 3.312 40 0 HGABRO C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)Cc2ccc(N(C)C)cc2)CC3)C1 ZINC000585104476 559027000 /nfs/dbraw/zinc/02/70/00/559027000.db2.gz OZZNCBPKNORVDN-OFNKIYASSA-N 1 0 413.606 3.425 40 0 HGABRO C[C@@H]1/C(=C\C(=O)OCC[NH+](C)C)CC[C@@H]2[C@@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@@]21C ZINC000082005003 559035996 /nfs/dbraw/zinc/03/59/96/559035996.db2.gz GMHWATCMBXIANN-PWMNOXIRSA-N 1 0 405.579 3.456 40 0 HGABRO CCCN1CCN(C(=O)C(C)(C)[NH3+])C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183574 559070408 /nfs/dbraw/zinc/07/04/08/559070408.db2.gz BZDSDJFPSZYUFI-NRFANRHFSA-N 1 0 407.558 3.330 40 0 HGABRO O=C(C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052804 559092505 /nfs/dbraw/zinc/09/25/05/559092505.db2.gz YTQPECKHCFAVQU-SFHVURJKSA-N 1 0 411.571 3.413 40 0 HGABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)Cc1ccccc1)CC3 ZINC000096143892 559096259 /nfs/dbraw/zinc/09/62/59/559096259.db2.gz GCCORYHPGPJLMI-BKMJKUGQSA-N 1 0 423.601 3.192 40 0 HGABRO O=C(Nc1ccccc1)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000096144612 559096767 /nfs/dbraw/zinc/09/67/67/559096767.db2.gz FFXRJQYGEHBTIC-NRFANRHFSA-N 1 0 402.498 3.412 40 0 HGABRO Cn1c2cc(C(=O)N3CCC([NH+](C)C)CC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096146325 559097785 /nfs/dbraw/zinc/09/77/85/559097785.db2.gz FDROIERWAKRAAI-UHFFFAOYSA-N 1 0 402.502 3.078 40 0 HGABRO COc1ccc(-c2ncnc3c2c(C(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccn23)cc1 ZINC000096146691 559098035 /nfs/dbraw/zinc/09/80/35/559098035.db2.gz NUARHEZTOSVPNR-KRWDZBQOSA-N 1 0 415.497 3.334 40 0 HGABRO C[N@@H+]1CCCN(C(=O)c2cc(-c3csc(-c4cnccn4)n3)n3ccccc23)CC1 ZINC000096154850 559099137 /nfs/dbraw/zinc/09/91/37/559099137.db2.gz TVEZZNRKIUJDRN-UHFFFAOYSA-N 1 0 418.526 3.298 40 0 HGABRO O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000096156834 559100678 /nfs/dbraw/zinc/10/06/78/559100678.db2.gz RCDKJOMJEQABOA-NRFANRHFSA-N 1 0 407.514 3.150 40 0 HGABRO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)Cc3ccccc3)C2)C1 ZINC000096216017 559101858 /nfs/dbraw/zinc/10/18/58/559101858.db2.gz DRSRSVPPOAKGDD-OAQYLSRUSA-N 1 0 403.548 3.109 40 0 HGABRO COc1ncccc1C[N@@H+]1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1 ZINC000096242547 559104126 /nfs/dbraw/zinc/10/41/26/559104126.db2.gz VQWISOYZWGYJNJ-UHFFFAOYSA-N 1 0 401.514 3.434 40 0 HGABRO CC(=O)N1CCCC[C@H]2[N@H+](CC3(O)CCN(c4ccccc4F)CC3)CCC[C@@]21C ZINC000585262860 559111611 /nfs/dbraw/zinc/11/16/11/559111611.db2.gz MILRQWXVUKLGCM-PKTZIBPZSA-N 1 0 417.569 3.413 40 0 HGABRO CC(=O)N1CCCC[C@H]2[N@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)CCC[C@@]21C ZINC000585262950 559111628 /nfs/dbraw/zinc/11/16/28/559111628.db2.gz QZKXDGBLPHYJQY-PKTZIBPZSA-N 1 0 417.569 3.413 40 0 HGABRO Cc1csc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)n2)n1 ZINC000585292356 559124832 /nfs/dbraw/zinc/12/48/32/559124832.db2.gz LCCHANPHASQVKZ-DYLHUKMJSA-N 1 0 400.552 3.465 40 0 HGABRO COCCOc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)ccc1OC ZINC000257205423 559282418 /nfs/dbraw/zinc/28/24/18/559282418.db2.gz AYYWJDKWVKQBKO-QHCPKHFHSA-N 1 0 401.503 3.126 40 0 HGABRO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](CCCc4ccccc4)C[C@H]2N(C)C3=O)cn1 ZINC000514289024 560033457 /nfs/dbraw/zinc/03/34/57/560033457.db2.gz FGMRFVMSXYJEPD-VWNXMTODSA-N 1 0 416.525 3.237 40 0 biogenic,in-vitro HGABRO Cn1ccc2cc(C(=O)N3CC4(C3)C[C@@H](COCc3cccnc3)CC[N@@H+]4C)ccc21 ZINC000575404295 560547105 /nfs/dbraw/zinc/54/71/05/560547105.db2.gz ROSILEHFFPKKDM-IBGZPJMESA-N 1 0 418.541 3.327 40 0 HGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2cccc(C)c2)[C@@H]1c1ccccc1 ZINC000409055515 560671532 /nfs/dbraw/zinc/67/15/32/560671532.db2.gz CIUAMOWWHMPKBR-AYHYUOJHSA-O 1 0 414.485 3.020 40 0 HGABRO Cc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409061574 560671722 /nfs/dbraw/zinc/67/17/22/560671722.db2.gz FXJSUONEGDLKHO-LMOLPZMTSA-O 1 0 416.476 3.459 40 0 HGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000409061676 560671786 /nfs/dbraw/zinc/67/17/86/560671786.db2.gz ZQUPPOGHRLIVBJ-KHYLXTRXSA-O 1 0 414.485 3.101 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409061021 560672783 /nfs/dbraw/zinc/67/27/83/560672783.db2.gz BMOJUHRJCJKIAF-ZCEBDVNOSA-O 1 0 422.867 3.495 40 0 HGABRO O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000409415191 560723459 /nfs/dbraw/zinc/72/34/59/560723459.db2.gz WJXXWLHUWHORMV-JHZIQSPXSA-N 1 0 423.557 3.050 40 0 HGABRO O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000409415190 560723470 /nfs/dbraw/zinc/72/34/70/560723470.db2.gz WJXXWLHUWHORMV-DTVSBSJESA-N 1 0 423.557 3.050 40 0 HGABRO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1 ZINC000105331244 560738217 /nfs/dbraw/zinc/73/82/17/560738217.db2.gz DJDMICDWJVQSJI-FQEVSTJZSA-N 1 0 424.888 3.244 40 0 HGABRO COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000006287986 560741004 /nfs/dbraw/zinc/74/10/04/560741004.db2.gz MBFBZEAYHSQVCO-UHFFFAOYSA-N 1 0 418.950 3.227 40 0 HGABRO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCC[NH+](C)C)ccc2C)c1 ZINC000010111457 560763785 /nfs/dbraw/zinc/76/37/85/560763785.db2.gz FPHYRAQJKKZWII-UHFFFAOYSA-N 1 0 403.548 3.094 40 0 HGABRO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000010450128 560769799 /nfs/dbraw/zinc/76/97/99/560769799.db2.gz YMTWQRHKQPLUNE-UHFFFAOYSA-N 1 0 415.559 3.036 40 0 HGABRO COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022929432 568501375 /nfs/dbraw/zinc/50/13/75/568501375.db2.gz DSVONBMUUUPUAR-QFIPXVFZSA-N 1 0 412.582 3.377 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 ZINC000223212623 568541183 /nfs/dbraw/zinc/54/11/83/568541183.db2.gz JNNWRZLVDBMYOS-LEWJYISDSA-N 1 0 406.559 3.192 40 0 HGABRO Cc1ccc(C(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(I)c1 ZINC000225028005 568610030 /nfs/dbraw/zinc/61/00/30/568610030.db2.gz KMXVAALSWALYKU-ZIAGYGMSSA-N 1 0 400.304 3.307 40 0 HGABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000225772768 568673423 /nfs/dbraw/zinc/67/34/23/568673423.db2.gz NCPSXPKNZZHPJU-UHFFFAOYSA-N 1 0 413.543 3.417 40 0 HGABRO COC[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000242495199 568688636 /nfs/dbraw/zinc/68/86/36/568688636.db2.gz FZKUGDLVSLHEID-GUDVDZBRSA-N 1 0 424.360 3.289 40 0 HGABRO O=S(=O)(NC[C@@H]1CC2(CC[NH+](Cc3cccc4ccccc43)CC2)O1)C1CC1 ZINC000247295332 568744450 /nfs/dbraw/zinc/74/44/50/568744450.db2.gz CKKSZVPVYZIHJO-IBGZPJMESA-N 1 0 400.544 3.045 40 0 HGABRO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000257212077 568779529 /nfs/dbraw/zinc/77/95/29/568779529.db2.gz CBVGLQQPOMOTKT-XMMPIXPASA-N 1 0 402.498 3.075 40 0 HGABRO COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[N@@H+]2Cc1cccs1 ZINC000257218061 568781210 /nfs/dbraw/zinc/78/12/10/568781210.db2.gz DBRWYWGTYOKADK-NJDAHSKKSA-N 1 0 400.544 3.220 40 0 HGABRO CCCN1CC[N@H+](CCC(N)=O)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257282156 568799061 /nfs/dbraw/zinc/79/90/61/568799061.db2.gz OSPALTNXWVKFED-FQEVSTJZSA-N 1 0 411.521 3.081 40 0 HGABRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)CC1 ZINC000257284150 568799784 /nfs/dbraw/zinc/79/97/84/568799784.db2.gz PBJZHWAWNJCVIX-LJQANCHMSA-N 1 0 408.550 3.442 40 0 HGABRO c1cn2nc(C[C@H]3COCC[N@H+](Cc4cccc(Oc5ncccn5)c4)C3)ccc2n1 ZINC000257306237 568806361 /nfs/dbraw/zinc/80/63/61/568806361.db2.gz STJZQBFYBHBEMF-LJQANCHMSA-N 1 0 416.485 3.003 40 0 HGABRO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000257306413 568806428 /nfs/dbraw/zinc/80/64/28/568806428.db2.gz SUEUSIVAUHZOJG-RUZDIDTESA-N 1 0 416.525 3.335 40 0 HGABRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 ZINC000257334718 568814499 /nfs/dbraw/zinc/81/44/99/568814499.db2.gz YHBWGMNYKHRQKS-OAQYLSRUSA-N 1 0 402.502 3.235 40 0 HGABRO CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC[NH2+]2)nc(C2CC2)n1 ZINC000257343038 568817088 /nfs/dbraw/zinc/81/70/88/568817088.db2.gz ZRFGVPVQNXNKHL-OALUTQOASA-N 1 0 404.518 3.029 40 0 HGABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306123989 568887103 /nfs/dbraw/zinc/88/71/03/568887103.db2.gz BCMFGUKFQMKVQU-NHCUHLMSSA-N 1 0 419.456 3.437 40 0 HGABRO O=C(c1ccc2c(c1)OCCCO2)N1CCO[C@@]2(CCCC[C@H]2[NH+]2CCCC2)C1 ZINC000306127737 568890614 /nfs/dbraw/zinc/89/06/14/568890614.db2.gz GFXDHOOYKCPMKA-GGAORHGYSA-N 1 0 400.519 3.098 40 0 HGABRO Cc1cc(C)cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)c1 ZINC000306128936 568891634 /nfs/dbraw/zinc/89/16/34/568891634.db2.gz HORGDPWUYAHXHE-VQTJNVASSA-N 1 0 401.514 3.452 40 0 HGABRO CC(C)NC(=O)N1C[C@H]2CC[C@H](CNC(=O)Cc3ccccc3)[N@@H+]2Cc2ccccc21 ZINC000306130025 568892565 /nfs/dbraw/zinc/89/25/65/568892565.db2.gz IUGRHOYVPBIZPZ-FGZHOGPDSA-N 1 0 420.557 3.317 40 0 HGABRO C[NH+](C)CCn1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)c3ccccn32)c1 ZINC000306130322 568892673 /nfs/dbraw/zinc/89/26/73/568892673.db2.gz JCLQEIYZMAGUFL-UHFFFAOYSA-N 1 0 405.477 3.434 40 0 HGABRO CCCC[NH+]1CCC2(CC1)CN(C(=O)OC)Cc1nnc(-c3ccc(OC)cc3)n12 ZINC000306132537 568894914 /nfs/dbraw/zinc/89/49/14/568894914.db2.gz LLPRAKNXMKAAQQ-UHFFFAOYSA-N 1 0 413.522 3.127 40 0 HGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccco3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306133216 568895303 /nfs/dbraw/zinc/89/53/03/568895303.db2.gz MFKDTSHKJNOXDP-URXFXBBRSA-N 1 0 419.529 3.470 40 0 HGABRO Cn1nccc1[C@@H]1C[N@H+](Cc2cccs2)C[C@]12CCCN(Cc1ccncc1)C2=O ZINC000306135710 568897784 /nfs/dbraw/zinc/89/77/84/568897784.db2.gz OYGPKVQKCOQVFF-NZQKXSOJSA-N 1 0 421.570 3.285 40 0 HGABRO Cn1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306136292 568898285 /nfs/dbraw/zinc/89/82/85/568898285.db2.gz PPAOJJOCTQWQIC-FQEVSTJZSA-N 1 0 401.518 3.455 40 0 HGABRO Cc1ccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cc1C ZINC000306143429 568905023 /nfs/dbraw/zinc/90/50/23/568905023.db2.gz YCBPZYXDLLLHSW-YADHBBJMSA-N 1 0 415.541 3.129 40 0 HGABRO CCc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306144296 568905698 /nfs/dbraw/zinc/90/56/98/568905698.db2.gz ZBTPUXQYSXDDDA-PMACEKPBSA-N 1 0 401.514 3.397 40 0 HGABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4scnc4C)C[C@@H]32)cc1 ZINC000306144652 568906025 /nfs/dbraw/zinc/90/60/25/568906025.db2.gz ZKZCNVVPSJHILW-PMACEKPBSA-N 1 0 408.527 3.343 40 0 HGABRO Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218048452 568924773 /nfs/dbraw/zinc/92/47/73/568924773.db2.gz FDKSSCHDQAEKOZ-XQBPLPMBSA-N 1 0 416.543 3.157 40 0 HGABRO O=C(c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000002776930 568932046 /nfs/dbraw/zinc/93/20/46/568932046.db2.gz RLXRTJOGRSMXIS-HNNXBMFYSA-N 1 0 415.419 3.393 40 0 HGABRO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@@H](CO)C(C)C)[nH+]c(C(C)C)n1)C2 ZINC000329025290 568973557 /nfs/dbraw/zinc/97/35/57/568973557.db2.gz PFKUQZVGTUEUCQ-IBGZPJMESA-N 1 0 412.534 3.378 40 0 HGABRO C[C@H]1CCCN(c2cc(C(=O)N(C[C@H]3CCCO3)C3CC[NH+](C)CC3)ccn2)C1 ZINC000248100391 569316160 /nfs/dbraw/zinc/31/61/60/569316160.db2.gz DOQWFNZBIGCUGX-GHTZIAJQSA-N 1 0 400.567 3.033 40 0 HGABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)CC2)c1 ZINC000009063043 569342326 /nfs/dbraw/zinc/34/23/26/569342326.db2.gz QXTZOWZBYWHVMK-UHFFFAOYSA-N 1 0 415.559 3.242 40 0 HGABRO Cn1cc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cn1 ZINC000019290670 569345389 /nfs/dbraw/zinc/34/53/89/569345389.db2.gz PKBWIODTSVJKRX-XUZZJYLKSA-N 1 0 403.530 3.127 40 0 HGABRO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 ZINC000019455877 569345447 /nfs/dbraw/zinc/34/54/47/569345447.db2.gz CYTBWQLIRQCWPO-TZIWHRDSSA-N 1 0 422.573 3.021 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccncc2)n1 ZINC000328975654 571304657 /nfs/dbraw/zinc/30/46/57/571304657.db2.gz FLLXBBGHCRWZTR-UHFFFAOYSA-N 1 0 400.433 3.857 40 0 HGABRO CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@H](C)CO)[nH+]1 ZINC000329000081 571306364 /nfs/dbraw/zinc/30/63/64/571306364.db2.gz JYZGOYRYTKQAKJ-CYBMUJFWSA-N 1 0 405.340 3.718 40 0 HGABRO COC[C@H]1CCCN1Cc1nc(C2(O)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000225465927 291237678 /nfs/dbraw/zinc/23/76/78/291237678.db2.gz BLGJCTWHJGNCNI-LJQANCHMSA-N 1 0 401.576 3.238 40 0 biogenic,in-vitro HGABRO C[C@@H](C(=O)NC1CC[NH+](CC2(c3cccc(F)c3)CCCC2)CC1)N1CCCC1=O ZINC000072393445 524169263 /nfs/dbraw/zinc/16/92/63/524169263.db2.gz BKBXFFHRWDGOJJ-SFHVURJKSA-N 1 0 415.553 3.229 40 0 HGABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000044857116 525134321 /nfs/dbraw/zinc/13/43/21/525134321.db2.gz CECULAIUGKRMPU-GOSISDBHSA-N 1 0 414.571 3.488 40 0 HGABRO Cc1cc2nc([C@H]3CCC[N@@H+](C[C@@H](C)Cc4ccc5c(c4)OCO5)C3)cc(N)n2n1 ZINC000072339786 525678910 /nfs/dbraw/zinc/67/89/10/525678910.db2.gz CSUSDDAYRNWWRA-YJBOKZPZSA-N 1 0 407.518 3.407 40 0 HGABRO Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccn2)nc(NCC[NH+](C)C)n1 ZINC000328959332 526250162 /nfs/dbraw/zinc/25/01/62/526250162.db2.gz ATEBOLJEZMJZED-UHFFFAOYSA-N 1 0 416.451 3.427 40 0 HGABRO Cc1nc2c(O)cccn2c(=O)c1CC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000044136143 527092389 /nfs/dbraw/zinc/09/23/89/527092389.db2.gz MLGMRYPFEBQSBO-UHFFFAOYSA-N 1 0 422.460 3.411 40 0 in-vitro HGABRO Cc1nc2cc(Nc3cc(-c4ccccn4)nc(NCC[NH+](C)C)n3)ccc2s1 ZINC000328963483 527124055 /nfs/dbraw/zinc/12/40/55/527124055.db2.gz BOVNYOIJCCMFOI-UHFFFAOYSA-N 1 0 405.531 3.018 40 0 HGABRO O=C(c1ccc(F)cc1)C1CC[NH+](CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000002019989 557299045 /nfs/dbraw/zinc/29/90/45/557299045.db2.gz MLDQSYUQSLUEPG-UHFFFAOYSA-N 1 0 423.488 3.204 40 0 in-man HGABRO O=C1c2cccc3c(N4CC[NH2+]CC4)ccc(c23)C(=O)N1c1cc(Cl)ccc1O ZINC000005344596 557645766 /nfs/dbraw/zinc/64/57/66/557645766.db2.gz FQBZQPXSOQTUEY-UHFFFAOYSA-N 1 0 407.857 3.409 40 0 HGABRO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCC(=O)N1CCc2ccccc21 ZINC000007274992 557738703 /nfs/dbraw/zinc/73/87/03/557738703.db2.gz LAUNKCZISFTWHE-UHFFFAOYSA-N 1 0 403.482 3.348 40 0 HGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000020039259 558325648 /nfs/dbraw/zinc/32/56/48/558325648.db2.gz BDNQPDDFHGLAHJ-OAHLLOKOSA-N 1 0 401.960 3.096 40 0 HGABRO C[NH+](C)CCNc1nc(-c2ccncc2)nc2c1CCN(Cc1ccccc1F)C2 ZINC000012123275 558331068 /nfs/dbraw/zinc/33/10/68/558331068.db2.gz JLDIZMHVJSSEOJ-UHFFFAOYSA-N 1 0 406.509 3.210 40 0 HGABRO Cc1nn(-c2ccccc2C)c(C)c1CC(=O)N(CC[NH+](C)C)Cc1cccnc1 ZINC000012238273 558359150 /nfs/dbraw/zinc/35/91/50/558359150.db2.gz PYZGEGPBPPSOCJ-UHFFFAOYSA-N 1 0 405.546 3.325 40 0 HGABRO CCOc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(OC)ccc2O3)cc1 ZINC000012293667 558367045 /nfs/dbraw/zinc/36/70/45/558367045.db2.gz GFTZFYRDDBMVNZ-FGZHOGPDSA-N 1 0 413.514 3.478 40 0 HGABRO CC(C)NC(=O)Cn1cc(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)c2ccccc21 ZINC000012363923 558387488 /nfs/dbraw/zinc/38/74/88/558387488.db2.gz RZNCMEGYQWBISD-UHFFFAOYSA-N 1 0 424.589 3.437 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000020637008 558396401 /nfs/dbraw/zinc/39/64/01/558396401.db2.gz XSFXNOYACYLDOM-MOPGFXCFSA-N 1 0 411.889 3.105 40 0 HGABRO Cc1ccc(N(CCCC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1C ZINC000013672482 558562927 /nfs/dbraw/zinc/56/29/27/558562927.db2.gz FDJXJSQCQBUVGT-UHFFFAOYSA-N 1 0 423.623 3.088 40 0 HGABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013682437 558567414 /nfs/dbraw/zinc/56/74/14/558567414.db2.gz JTFYPXCICZRQHL-UHFFFAOYSA-N 1 0 421.541 3.359 40 0 HGABRO CC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(OCC)c1 ZINC000036611754 558723296 /nfs/dbraw/zinc/72/32/96/558723296.db2.gz RCIUISHPEGFEJN-UHFFFAOYSA-N 1 0 400.475 3.389 40 0 HGABRO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000015357103 558735641 /nfs/dbraw/zinc/73/56/41/558735641.db2.gz XCGAQJJHJMNPDR-UHFFFAOYSA-N 1 0 401.532 3.109 40 0 HGABRO COCCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030940030 558745402 /nfs/dbraw/zinc/74/54/02/558745402.db2.gz PUPWYGIJZYYFCV-SFHVURJKSA-N 1 0 413.493 3.053 40 0 HGABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000036741209 558802130 /nfs/dbraw/zinc/80/21/30/558802130.db2.gz LFWQSCDXWXCRGA-UKILVPOCSA-N 1 0 424.541 3.011 40 0 HGABRO O=C(NCc1ccc(CN2CCOCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000038831183 558816763 /nfs/dbraw/zinc/81/67/63/558816763.db2.gz QTUGXMIVLFGRKW-UHFFFAOYSA-N 1 0 407.558 3.047 40 0 HGABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000038831646 558816964 /nfs/dbraw/zinc/81/69/64/558816964.db2.gz XZTCDVFERQMWGI-UHFFFAOYSA-N 1 0 407.558 3.435 40 0 HGABRO Cc1c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000038850164 558818617 /nfs/dbraw/zinc/81/86/17/558818617.db2.gz MVXDUKLRAWYYFN-LJQANCHMSA-N 1 0 422.504 3.474 40 0 HGABRO C[C@@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)[NH+]1CCCCC1 ZINC000019080256 558839106 /nfs/dbraw/zinc/83/91/06/558839106.db2.gz SIVANCYIBBKWSC-INIZCTEOSA-N 1 0 410.547 3.059 40 0 HGABRO Cc1nc2cc(C)c(C)cc2n1CC(=O)N(CC[NH+](C)C)Cc1ccc2c(c1)OCO2 ZINC000019125206 558844328 /nfs/dbraw/zinc/84/43/28/558844328.db2.gz BRAUZHKRULJPTI-UHFFFAOYSA-N 1 0 422.529 3.281 40 0 HGABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C[NH+]3CCCCCC3)C1)N2 ZINC000019127894 558844932 /nfs/dbraw/zinc/84/49/32/558844932.db2.gz NQFJABAXMBTGRU-FGTMMUONSA-N 1 0 409.525 3.297 40 0 HGABRO Cc1csc2ncc(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)c(=O)n12 ZINC000019240371 558858804 /nfs/dbraw/zinc/85/88/04/558858804.db2.gz JRDLGBRHMARFIR-UHFFFAOYSA-N 1 0 410.543 3.370 40 0 HGABRO Cc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1ccccc1CN1CC[NH+](C)CC1 ZINC000019286756 558860590 /nfs/dbraw/zinc/86/05/90/558860590.db2.gz YHYSWUOXAFNJOJ-GOSISDBHSA-N 1 0 405.546 3.367 40 0 HGABRO COc1ccccc1-c1ccccc1C[C@H]1C[N@H+](Cc2cnc(C)nc2)CCNC1=O ZINC000019287239 558860887 /nfs/dbraw/zinc/86/08/87/558860887.db2.gz JFZXEWJAGVNRSL-NRFANRHFSA-N 1 0 416.525 3.251 40 0 HGABRO O=C(c1cc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)no1)N1CCC(O)CC1 ZINC000019293404 558865075 /nfs/dbraw/zinc/86/50/75/558865075.db2.gz CVWVRMLGLWYMEP-INIZCTEOSA-N 1 0 403.910 3.305 40 0 HGABRO Cc1cc(Br)c2c(c1)[C@H](O)C(CN1CCCC1)(C[NH+]1CCCC1)CO2 ZINC000055120895 558873256 /nfs/dbraw/zinc/87/32/56/558873256.db2.gz PDXQJJMYQWQJPI-IBGZPJMESA-N 1 0 409.368 3.361 40 0 HGABRO O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019370658 558878823 /nfs/dbraw/zinc/87/88/23/558878823.db2.gz NDXYHRBOCASWKL-LJQANCHMSA-N 1 0 420.557 3.019 40 0 HGABRO O=C1CCCN1c1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000019374909 558881507 /nfs/dbraw/zinc/88/15/07/558881507.db2.gz USBVQOHNEULINU-FGZHOGPDSA-N 1 0 422.525 3.198 40 0 HGABRO Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]C[C@@H]3COc4ccccc4O3)cc12 ZINC000057810307 558890672 /nfs/dbraw/zinc/89/06/72/558890672.db2.gz TUPXMHWKJIJXNO-GOSISDBHSA-N 1 0 420.444 3.091 40 0 HGABRO C[C@@H](CC(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1)n1cccn1 ZINC000019455464 558891725 /nfs/dbraw/zinc/89/17/25/558891725.db2.gz GRTNYLXUSZFFOR-KRWDZBQOSA-N 1 0 424.524 3.155 40 0 HGABRO C[C@H](CC(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1)n1cccn1 ZINC000019455467 558891757 /nfs/dbraw/zinc/89/17/57/558891757.db2.gz GRTNYLXUSZFFOR-QGZVFWFLSA-N 1 0 424.524 3.155 40 0 HGABRO C[C@@H]1CN(C(=O)c2c[nH]nc2C2CC[NH+](Cc3ccccc3F)CC2)C[C@H](C)O1 ZINC000019497344 558896166 /nfs/dbraw/zinc/89/61/66/558896166.db2.gz GELQOBTXWFMBTM-IYBDPMFKSA-N 1 0 400.498 3.178 40 0 HGABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1cc(C)ccc1C ZINC000019500308 558898576 /nfs/dbraw/zinc/89/85/76/558898576.db2.gz ZMJBBWPCJHYFFK-LJQANCHMSA-N 1 0 414.619 3.420 40 0 HGABRO CCCc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)no1 ZINC000019525341 558906722 /nfs/dbraw/zinc/90/67/22/558906722.db2.gz AEKPLOYCTUMCRT-LJQANCHMSA-N 1 0 413.522 3.257 40 0 HGABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 ZINC000019551509 558915683 /nfs/dbraw/zinc/91/56/83/558915683.db2.gz UIBLVSZDBWXBJT-XOKHGSTOSA-N 1 0 407.465 3.198 40 0 HGABRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc3c(c2)OCO3)c2cnn(C(C)C)c2n1 ZINC000019569444 558928268 /nfs/dbraw/zinc/92/82/68/558928268.db2.gz VOYJSAGHVPSONB-UHFFFAOYSA-N 1 0 423.517 3.253 40 0 HGABRO Cc1ccnn1CCNC(=O)C1(Cc2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CCOCC1 ZINC000072372225 558959487 /nfs/dbraw/zinc/95/94/87/558959487.db2.gz WAINUXBZYLSARP-HSZRJFAPSA-N 1 0 424.589 3.156 40 0 HGABRO CC(=O)N1CCc2c(nc([C@@H]3CCC[N@@H+](C)C3)nc2NCCc2cccc(C)c2)C1 ZINC000072373391 558961107 /nfs/dbraw/zinc/96/11/07/558961107.db2.gz HABRQNJFNUTJER-HXUWFJFHSA-N 1 0 407.562 3.153 40 0 HGABRO CC(=O)N1C[C@H](C(=O)N(C)CCCc2ccccc2)[C@@H](c2ccc(C[NH+](C)C)cc2)C1 ZINC000019699204 558966537 /nfs/dbraw/zinc/96/65/37/558966537.db2.gz IRKMYMBBOIOMQN-RPBOFIJWSA-N 1 0 421.585 3.401 40 0 HGABRO Cc1nc([C@H]2CCCN2C(=O)C[NH+]2CCCC2)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019709342 558971422 /nfs/dbraw/zinc/97/14/22/558971422.db2.gz RTENBSYVXHYSOW-JOCHJYFZSA-N 1 0 424.520 3.218 40 0 HGABRO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](C)C3)nc(NCc3cccc(C)c3C)c2C1 ZINC000019711312 558973365 /nfs/dbraw/zinc/97/33/65/558973365.db2.gz UVXNJRTZBNRLAC-FQEVSTJZSA-N 1 0 407.562 3.419 40 0 HGABRO COc1cc(C[NH+]2CCC([C@H](NC(C)=O)c3nccs3)CC2)cc(OC)c1OC ZINC000072394569 558973548 /nfs/dbraw/zinc/97/35/48/558973548.db2.gz JVMBGKMVXFTFKA-IBGZPJMESA-N 1 0 419.547 3.258 40 0 HGABRO CCn1nc(C)c(C[N@@H+]2C[C@H](NC(C)=O)[C@@H](c3cn(C)c4ccc(OC)cc34)C2)c1C ZINC000072395546 558974491 /nfs/dbraw/zinc/97/44/91/558974491.db2.gz MKAFALGFVHLPGL-PKTZIBPZSA-N 1 0 423.561 3.124 40 0 HGABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000585106316 559028727 /nfs/dbraw/zinc/02/87/27/559028727.db2.gz SLZDKCLCGIXQDX-UAGQMJEPSA-N 1 0 421.944 3.320 40 0 HGABRO Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]21 ZINC000585109798 559029462 /nfs/dbraw/zinc/02/94/62/559029462.db2.gz VHYUMJVAXXRAGS-QNWVGRARSA-N 1 0 420.488 3.138 40 0 HGABRO CC(C)n1cnc2c1[C@H](C(=O)N1CC[NH+](C(C)C)CC1)N(Cc1ccccc1)CC2 ZINC000096037546 559091374 /nfs/dbraw/zinc/09/13/74/559091374.db2.gz XJTZJYYFGGDVBM-HSZRJFAPSA-N 1 0 409.578 3.116 40 0 HGABRO COc1cccc(-c2nc(-c3noc4ccc(C(=O)NCC[NH+](C)C)cc43)co2)c1 ZINC000096154340 559098901 /nfs/dbraw/zinc/09/89/01/559098901.db2.gz BUJYFYVPAPBRNM-UHFFFAOYSA-N 1 0 406.442 3.450 40 0 HGABRO CC(C)CCNC(=O)c1cnc(-c2noc3cc(N4CC[NH+](C)CC4)ccc32)s1 ZINC000096154603 559098941 /nfs/dbraw/zinc/09/89/41/559098941.db2.gz NLHHOXSJIRNXFJ-UHFFFAOYSA-N 1 0 413.547 3.479 40 0 HGABRO C[NH+]1CCN(c2ccc3c(c2)onc3-c2ncc(C(=O)NCc3ccco3)s2)CC1 ZINC000096154598 559098952 /nfs/dbraw/zinc/09/89/52/559098952.db2.gz XIXSGSWEQMJWMT-UHFFFAOYSA-N 1 0 423.498 3.226 40 0 HGABRO CC(C)[C@H](C)NC(=O)c1ncn2c1nccc2C1CC[NH+](Cc2cccnc2)CC1 ZINC000096155704 559099871 /nfs/dbraw/zinc/09/98/71/559099871.db2.gz DXOFTFHGONAYRE-KRWDZBQOSA-N 1 0 406.534 3.278 40 0 HGABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096262565 559106484 /nfs/dbraw/zinc/10/64/84/559106484.db2.gz JRRCWJFJTZFSIK-QHCPKHFHSA-N 1 0 417.981 3.383 40 0 HGABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@H](Cc2cccc3n[nH]cc32)C1 ZINC000585261881 559109482 /nfs/dbraw/zinc/10/94/82/559109482.db2.gz HWPCJTUHBFYCSJ-LJQANCHMSA-N 1 0 418.541 3.490 40 0 HGABRO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000585262405 559110855 /nfs/dbraw/zinc/11/08/55/559110855.db2.gz PGMRRVMFXPBRAW-CZYKHXBRSA-N 1 0 416.468 3.130 40 0 HGABRO COCCOc1cc(C[NH+]2CCC(O)(COc3ccc(F)cc3)CC2)ccc1OC ZINC000585270004 559116199 /nfs/dbraw/zinc/11/61/99/559116199.db2.gz ASCZGQHMEKVLIA-UHFFFAOYSA-N 1 0 419.493 3.265 40 0 HGABRO CO[C@]1(COc2ccccc2F)CCC[N@H+](CC(=O)NCc2ccccc2)CC1 ZINC000585272064 559117847 /nfs/dbraw/zinc/11/78/47/559117847.db2.gz FJUGKHQNJMPUAO-HSZRJFAPSA-N 1 0 400.494 3.392 40 0 HGABRO CCCC(CCC)[N@@H+]1CCN(C(=O)COC)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282652 559120157 /nfs/dbraw/zinc/12/01/57/559120157.db2.gz MCSUXYOXIAIELZ-XMMPIXPASA-N 1 0 420.594 3.173 40 0 HGABRO CCCC(CCC)[N@@H+]1CCN(C(=O)COC)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282649 559120239 /nfs/dbraw/zinc/12/02/39/559120239.db2.gz MCSUXYOXIAIELZ-DEOSSOPVSA-N 1 0 420.594 3.173 40 0 HGABRO CC(=O)N1CC[N@@H+](C2CCC(C)(C)CC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284178 559120483 /nfs/dbraw/zinc/12/04/83/559120483.db2.gz VNGMOGLZANFNRA-QHCPKHFHSA-N 1 0 406.542 3.377 40 0 HGABRO CC(=O)N1CCCC[C@H]2C[N@@H+]([C@H]3CCC[C@@H](Oc4ccc(C)cc4)[C@@H]3O)CC[C@H]21 ZINC000585288925 559122336 /nfs/dbraw/zinc/12/23/36/559122336.db2.gz LIEIJTWVYHMYOY-LKAHAZCJSA-N 1 0 400.563 3.379 40 0 HGABRO O=S1(=O)[C@@H]2CC[N@@H+](Cc3cccnc3)CC[C@@H]2CN1Cc1ccc(Cl)cc1 ZINC000107183608 559164759 /nfs/dbraw/zinc/16/47/59/559164759.db2.gz FYUWKQBPYAHHTP-UYAOXDASSA-N 1 0 405.951 3.161 40 0 HGABRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000072216560 559169582 /nfs/dbraw/zinc/16/95/82/559169582.db2.gz KUYALWMIGPRJGL-OAQYLSRUSA-N 1 0 414.575 3.058 40 0 HGABRO CN1CC[NH+](C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000226070438 559272759 /nfs/dbraw/zinc/27/27/59/559272759.db2.gz IZDRZBAVVYYVOH-HXUWFJFHSA-N 1 0 406.611 3.285 40 0 HGABRO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCn3cccn3)cc2)c(C)c1 ZINC000257220998 559283619 /nfs/dbraw/zinc/28/36/19/559283619.db2.gz DNDHGTRDTFWNNR-JOCHJYFZSA-N 1 0 409.530 3.451 40 0 HGABRO O[C@@]1(C[NH+]2CCC(F)(F)CC2)CCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000257286415 559285547 /nfs/dbraw/zinc/28/55/47/559285547.db2.gz PLNKAFXSKHBSND-JOCHJYFZSA-N 1 0 417.500 3.329 40 0 HGABRO CC(C)(C)C[N@@H+]1CCC[C@H]1c1nc(-c2ccnc(N3CCC(C(N)=O)CC3)c2)no1 ZINC000035424702 560081111 /nfs/dbraw/zinc/08/11/11/560081111.db2.gz APDSKKUQHCXXHJ-KRWDZBQOSA-N 1 0 412.538 3.016 40 0 biogenic,in-vitro HGABRO CC(C)CNC(=S)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(C2CCCC2)nn1C ZINC000008635458 560107018 /nfs/dbraw/zinc/10/70/18/560107018.db2.gz XQIMKGJYTDTFDS-OTWHNJEPSA-N 1 0 403.640 3.376 40 0 biogenic,in-vitro HGABRO Cc1cccc2cc(CN(C(=S)NCCC[NH+](C)C)C3CCCC3)c(=O)[nH]c12 ZINC000004131875 560599791 /nfs/dbraw/zinc/59/97/91/560599791.db2.gz JPIDUOAPZLSYQF-UHFFFAOYSA-N 1 0 400.592 3.407 40 0 HGABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)c1 ZINC000409056020 560670324 /nfs/dbraw/zinc/67/03/24/560670324.db2.gz DOWRTWURRWOJRY-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409060438 560671068 /nfs/dbraw/zinc/67/10/68/560671068.db2.gz VEUWPXRMHZBIRG-AYHYUOJHSA-O 1 0 414.485 3.020 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409059906 560671090 /nfs/dbraw/zinc/67/10/90/560671090.db2.gz YKNAWCUOBNXHSF-ZCEBDVNOSA-O 1 0 422.867 3.495 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000409053639 560671184 /nfs/dbraw/zinc/67/11/84/560671184.db2.gz GPLCAAAEVGAVON-ZCEBDVNOSA-O 1 0 422.867 3.495 40 0 HGABRO Cc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000409062310 560671899 /nfs/dbraw/zinc/67/18/99/560671899.db2.gz RMXPIMUBOBJMOX-WXUIRWOTSA-O 1 0 402.449 3.150 40 0 HGABRO Cc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000409062309 560671953 /nfs/dbraw/zinc/67/19/53/560671953.db2.gz RMXPIMUBOBJMOX-NXTBZVMJSA-O 1 0 402.449 3.150 40 0 HGABRO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007365368 560750548 /nfs/dbraw/zinc/75/05/48/560750548.db2.gz SXUCWLCPJDAHRG-UHFFFAOYSA-N 1 0 416.485 3.243 40 0 HGABRO CCOc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)ccc1O ZINC000006553950 568455593 /nfs/dbraw/zinc/45/55/93/568455593.db2.gz NHZZGNAMAAEEJA-YGOYIFOWSA-N 1 0 416.562 3.472 40 0 HGABRO CC(C)[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000604382190 568489416 /nfs/dbraw/zinc/48/94/16/568489416.db2.gz JPLAWNLXDDYIGY-NCXUSEDFSA-N 1 0 409.452 3.061 40 0 biogenic,in-vitro HGABRO CC(C)(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3cccc(Cl)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382208 568489442 /nfs/dbraw/zinc/48/94/42/568489442.db2.gz KUEIIYWHMSNCQM-UAFMIMERSA-N 1 0 403.954 3.118 40 0 biogenic,in-vitro HGABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 ZINC000223212256 568541170 /nfs/dbraw/zinc/54/11/70/568541170.db2.gz OHHHFYAQOIDZFC-SFTDATJTSA-N 1 0 406.559 3.192 40 0 HGABRO Cc1cc(C(=O)NCCC[NH+](C)C)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224218972 568574066 /nfs/dbraw/zinc/57/40/66/568574066.db2.gz PSGXBZOJABVNGW-UHFFFAOYSA-N 1 0 423.966 3.155 40 0 HGABRO CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224622744 568588881 /nfs/dbraw/zinc/58/88/81/568588881.db2.gz QBUSCIKEZFOVMT-UHFFFAOYSA-N 1 0 421.950 3.237 40 0 HGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000224660414 568591138 /nfs/dbraw/zinc/59/11/38/568591138.db2.gz KOEUNTSXNAIACR-HXUWFJFHSA-N 1 0 423.623 3.312 40 0 HGABRO CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c(Cl)c1 ZINC000224786856 568596844 /nfs/dbraw/zinc/59/68/44/568596844.db2.gz ILJOHEJHLYLJNN-UHFFFAOYSA-N 1 0 421.950 3.237 40 0 HGABRO COC(=O)c1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1Cl ZINC000224801168 568597401 /nfs/dbraw/zinc/59/74/01/568597401.db2.gz ALPQTHSDSCYKKY-UHFFFAOYSA-N 1 0 422.934 3.201 40 0 HGABRO Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224826086 568598693 /nfs/dbraw/zinc/59/86/93/568598693.db2.gz CDKCJKVNYKSVOF-UHFFFAOYSA-N 1 0 415.559 3.282 40 0 HGABRO CC(C)n1c2ccc(S(=O)(=O)NCCC[NH+]3CCCCCC3)cc2sc1=O ZINC000225709873 568666634 /nfs/dbraw/zinc/66/66/34/568666634.db2.gz QRAYMTJFCHZQNE-UHFFFAOYSA-N 1 0 411.593 3.188 40 0 HGABRO Cc1cccc(N(CCCC(=O)NCCC[N@H+]2CCC[C@H](C)C2)S(C)(=O)=O)c1C ZINC000260760831 568737646 /nfs/dbraw/zinc/73/76/46/568737646.db2.gz BAFAHWNLJVHJCR-SFHVURJKSA-N 1 0 423.623 3.088 40 0 HGABRO Cn1cc2c(n1)[C@H](C(=O)NCCc1ccc(F)cc1)C[N@@H+](CCc1ccccc1)C2 ZINC000257206584 568778081 /nfs/dbraw/zinc/77/80/81/568778081.db2.gz BECOIEVKJZUBDI-JOCHJYFZSA-N 1 0 406.505 3.060 40 0 HGABRO CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)C[N@H+](C)C3CCCC3)CCO2)n1 ZINC000257211367 568779420 /nfs/dbraw/zinc/77/94/20/568779420.db2.gz BYPPROLALPACCR-NRFANRHFSA-N 1 0 412.534 3.382 40 0 HGABRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N2CCCCC2)C1 ZINC000257233527 568785820 /nfs/dbraw/zinc/78/58/20/568785820.db2.gz GPPXKHPUMFJXNJ-SFHVURJKSA-N 1 0 406.534 3.372 40 0 HGABRO Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@H]3Cc2ccccc2)nc(N)n1 ZINC000257246078 568789080 /nfs/dbraw/zinc/78/90/80/568789080.db2.gz ISJGZICXKLGCIV-CZLVRFMKSA-N 1 0 419.573 3.456 40 0 HGABRO Cc1nc([C@H]2CC[N@H+](Cc3ccncc3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257253820 568791316 /nfs/dbraw/zinc/79/13/16/568791316.db2.gz KAJWJHOFPWDWHA-FQEVSTJZSA-N 1 0 407.562 3.469 40 0 HGABRO C[N@H+](CC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1)C1CCCC1 ZINC000257267779 568795017 /nfs/dbraw/zinc/79/50/17/568795017.db2.gz MISINMCRHKQSPH-JOCHJYFZSA-N 1 0 421.969 3.077 40 0 HGABRO Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](c2cc(Nc3nccs3)cc(C)[nH+]2)C1 ZINC000257286519 568800381 /nfs/dbraw/zinc/80/03/81/568800381.db2.gz PLWWGHOGLBKBTJ-CQSZACIVSA-N 1 0 419.532 3.373 40 0 HGABRO CC(=O)NC[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)O1 ZINC000306124437 568887436 /nfs/dbraw/zinc/88/74/36/568887436.db2.gz BPQJMYANBRTAHD-DENIHFKCSA-N 1 0 418.921 3.486 40 0 HGABRO COc1ccc(C[NH+]2CCC3(CC2)CN(C)Cc2nnc(-c4cccs4)n23)cc1 ZINC000306124658 568887650 /nfs/dbraw/zinc/88/76/50/568887650.db2.gz BWACFMQVQWEGKY-UHFFFAOYSA-N 1 0 409.559 3.452 40 0 HGABRO Cn1[n-]c2c(c1=O)C[N@H+](Cc1cccnc1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306128601 568891489 /nfs/dbraw/zinc/89/14/89/568891489.db2.gz HFWAFBOZQSVRJH-UHFFFAOYSA-N 1 0 403.530 3.070 40 0 HGABRO C[NH+](C)CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccco2)CC1 ZINC000306130786 568893105 /nfs/dbraw/zinc/89/31/05/568893105.db2.gz JPIDVUUBSDSOPK-UHFFFAOYSA-N 1 0 406.486 3.229 40 0 HGABRO Cc1cccc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cn(-c4ccccc4)nc23)n1 ZINC000306140722 568902516 /nfs/dbraw/zinc/90/25/16/568902516.db2.gz VBZPPOKQISMDKY-UHFFFAOYSA-N 1 0 401.514 3.195 40 0 HGABRO CC(C)C[NH+]1CCC2(CCCN(C(=O)c3ccccc3)[C@@H]2CNC(=O)N(C)C)CC1 ZINC000306141132 568902678 /nfs/dbraw/zinc/90/26/78/568902678.db2.gz VLYIMKJVVGNCSU-OAQYLSRUSA-N 1 0 414.594 3.301 40 0 HGABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4ccc(C)s4)C[C@@H]2C3)cc1 ZINC000306142681 568904201 /nfs/dbraw/zinc/90/42/01/568904201.db2.gz XGGQXCZGKZNZGJ-JKSUJKDBSA-N 1 0 423.542 3.213 40 0 HGABRO Cc1ccc(Nc2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)c(Br)c1 ZINC000328967280 568970285 /nfs/dbraw/zinc/97/02/85/568970285.db2.gz CSXAIDJJLDEOCT-UHFFFAOYSA-N 1 0 418.261 3.127 40 0 HGABRO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@H](CO)C(C)C)[nH+]c(C(C)C)n1)C2 ZINC000329025293 568973529 /nfs/dbraw/zinc/97/35/29/568973529.db2.gz PFKUQZVGTUEUCQ-LJQANCHMSA-N 1 0 412.534 3.378 40 0 HGABRO Cc1ccc(Nc2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329069775 568975708 /nfs/dbraw/zinc/97/57/08/568975708.db2.gz ZAUQFYGBEUSWEG-UHFFFAOYSA-N 1 0 407.362 3.384 40 0 HGABRO C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC000248090252 569316242 /nfs/dbraw/zinc/31/62/42/569316242.db2.gz CAJYOPVPQBDRQG-NQIIRXRSSA-N 1 0 410.493 3.032 40 0 HGABRO COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009062833 569342260 /nfs/dbraw/zinc/34/22/60/569342260.db2.gz LRGJLKPBASFJOV-UHFFFAOYSA-N 1 0 410.470 3.111 40 0 HGABRO COc1ccc(-c2nc(C3CC[NH+](Cc4cnc(C)s4)CC3)[nH]c2C(N)=O)cc1 ZINC000019698854 569346876 /nfs/dbraw/zinc/34/68/76/569346876.db2.gz DCJZEZRMSLCLJP-UHFFFAOYSA-N 1 0 411.531 3.329 40 0 HGABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@H](c2ncc(C(N)=O)c(C)n2)C1 ZINC000019763440 569348890 /nfs/dbraw/zinc/34/88/90/569348890.db2.gz YCHQEGKQKWTAAF-KRWDZBQOSA-N 1 0 422.508 3.205 40 0 HGABRO CN(c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1)S(C)(=O)=O ZINC000044786964 569351975 /nfs/dbraw/zinc/35/19/75/569351975.db2.gz WFNZXPNWJCXTHQ-KRWDZBQOSA-N 1 0 419.522 3.072 40 0 HGABRO CC(C)c1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(N[C@@H](C)CO)[nH+]1 ZINC000328964309 571306369 /nfs/dbraw/zinc/30/63/69/571306369.db2.gz BUQAZHHCGDLIBI-ZDUSSCGKSA-N 1 0 410.440 3.854 40 0 HGABRO CC1=C[C@@H](C[N@@H+]2CCC[C@H]2CO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 ZINC000035442741 291233560 /nfs/dbraw/zinc/23/35/60/291233560.db2.gz HITJHRXILGPDPL-MUGJNUQGSA-N 1 0 413.566 3.324 40 0 biogenic,in-vitro HGABRO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(Cc1cnc3ccccc3c1)C2 ZINC000225480791 291236607 /nfs/dbraw/zinc/23/66/07/291236607.db2.gz LCMYPVAPSFCQEU-UGKGYDQZSA-N 1 0 403.482 3.250 40 0 biogenic,in-vitro HGABRO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccc(NC(C)=O)cc2)C3)cc1 ZINC000096269256 291239170 /nfs/dbraw/zinc/23/91/70/291239170.db2.gz DYLONYKFWFVNNV-NRFANRHFSA-N 1 0 406.486 3.206 40 0 biogenic,in-vitro HGABRO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](C2CCOCC2)C3)cc1 ZINC000096111884 291239868 /nfs/dbraw/zinc/23/98/68/291239868.db2.gz DKCQOWHAFZPBMZ-UNMCSNQZSA-N 1 0 408.498 3.243 40 0 biogenic,in-vitro HGABRO COc1ccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)c(C)c1C ZINC000012143380 132354907 /nfs/dbraw/zinc/35/49/07/132354907.db2.gz WBTISFLNWCZEPW-DEOSSOPVSA-N 1 0 420.557 3.449 40 0 HGABRO CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(O)(c4ccccc4C)CC3)ccc21 ZINC000012291262 132358015 /nfs/dbraw/zinc/35/80/15/132358015.db2.gz FTTDSNGRVQEZMV-DEOSSOPVSA-N 1 0 408.542 3.311 40 0 HGABRO CCCn1c(C[NH2+]CCc2nc(-c3ccccc3)ncc2C(N)=O)nc2ccccc21 ZINC000072352096 521629762 /nfs/dbraw/zinc/62/97/62/521629762.db2.gz ZBMXJFMDNRIEFP-UHFFFAOYSA-N 1 0 414.513 3.335 40 0 HGABRO CN(c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1)S(C)(=O)=O ZINC000044786962 523647544 /nfs/dbraw/zinc/64/75/44/523647544.db2.gz WFNZXPNWJCXTHQ-QGZVFWFLSA-N 1 0 419.522 3.072 40 0 HGABRO Ic1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228932177 526427150 /nfs/dbraw/zinc/42/71/50/526427150.db2.gz ZBVHEEXVSLIPLH-UHFFFAOYSA-N 1 0 420.258 3.099 40 0 HGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000020048391 558328104 /nfs/dbraw/zinc/32/81/04/558328104.db2.gz OGEGGCUQFAVZSY-HNNXBMFYSA-N 1 0 401.960 3.096 40 0 HGABRO O=c1n(Cc2cccs2)c2cccnc2n1CN1CCC([NH+]2CCCCC2)CC1 ZINC000012117754 558329126 /nfs/dbraw/zinc/32/91/26/558329126.db2.gz XPKPEZYINZCGIN-UHFFFAOYSA-N 1 0 411.575 3.216 40 0 HGABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCCN3CCCC3=O)cc12 ZINC000012186363 558345398 /nfs/dbraw/zinc/34/53/98/558345398.db2.gz LLNSAPYHPOZRPP-UHFFFAOYSA-N 1 0 421.545 3.113 40 0 HGABRO COc1ccccc1OCC[NH2+]Cc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000012186874 558345970 /nfs/dbraw/zinc/34/59/70/558345970.db2.gz BWPZLJLCWGBBHW-UHFFFAOYSA-N 1 0 422.460 3.339 40 0 HGABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1OC ZINC000012329683 558384605 /nfs/dbraw/zinc/38/46/05/558384605.db2.gz JGKMQMAJQMCTGP-VQTJNVASSA-N 1 0 413.514 3.396 40 0 HGABRO COc1ccccc1OC[C@H]1CCC[N@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000012364381 558387647 /nfs/dbraw/zinc/38/76/47/558387647.db2.gz NAAUMQOQAFDPHD-SFHVURJKSA-N 1 0 407.514 3.426 40 0 HGABRO COc1ccccc1OC[C@@H]1CCC[N@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000012364379 558387656 /nfs/dbraw/zinc/38/76/56/558387656.db2.gz NAAUMQOQAFDPHD-GOSISDBHSA-N 1 0 407.514 3.426 40 0 HGABRO Cc1nc2n(c(=O)c1CC[NH+]1CCC(C(=O)c3ccc(F)cc3F)CC1)CCCC2 ZINC000022008735 558457503 /nfs/dbraw/zinc/45/75/03/558457503.db2.gz VVQWCIXBRCHDBW-UHFFFAOYSA-N 1 0 415.484 3.304 40 0 in-vitro HGABRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)cc1 ZINC000013675848 558564442 /nfs/dbraw/zinc/56/44/42/558564442.db2.gz FKIMFEJTJCNKOD-UHFFFAOYSA-N 1 0 415.559 3.402 40 0 HGABRO CCOC(=O)C(C(=O)OCC)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000031667143 558751940 /nfs/dbraw/zinc/75/19/40/558751940.db2.gz FJTWHNJVFYIULD-JOCHJYFZSA-N 1 0 410.514 3.292 40 0 HGABRO CCOC(=O)C(C(=O)OCC)[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000031667141 558751949 /nfs/dbraw/zinc/75/19/49/558751949.db2.gz FJTWHNJVFYIULD-QFIPXVFZSA-N 1 0 410.514 3.292 40 0 HGABRO Cc1ccc(C[NH+]2CCC(C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC000038831249 558816664 /nfs/dbraw/zinc/81/66/64/558816664.db2.gz NZQATYDRECBBNM-UHFFFAOYSA-N 1 0 421.585 3.356 40 0 HGABRO COc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000038836198 558817939 /nfs/dbraw/zinc/81/79/39/558817939.db2.gz KFNSUFDRIIACPT-FQEVSTJZSA-N 1 0 411.521 3.395 40 0 HGABRO Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCC[N@@H+](Cc3ccnn3C)C2)on1 ZINC000019122248 558843700 /nfs/dbraw/zinc/84/37/00/558843700.db2.gz SDZPLVWMFGACPW-KRWDZBQOSA-N 1 0 407.522 3.153 40 0 HGABRO Cc1ccc(C[N@H+]2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)o1 ZINC000019216640 558850483 /nfs/dbraw/zinc/85/04/83/558850483.db2.gz URLUEHKPRZVDHQ-WOJBJXKFSA-N 1 0 411.550 3.109 40 0 HGABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000019334136 558869483 /nfs/dbraw/zinc/86/94/83/558869483.db2.gz QTLHYTPIMZXBFS-IBGZPJMESA-N 1 0 404.518 3.359 40 0 HGABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000019334132 558869537 /nfs/dbraw/zinc/86/95/37/558869537.db2.gz QTLHYTPIMZXBFS-LJQANCHMSA-N 1 0 404.518 3.359 40 0 HGABRO OC1(c2ccc(F)cc2)CC[NH+](Cc2ccccc2OCCN2CCOCC2)CC1 ZINC000019348855 558874614 /nfs/dbraw/zinc/87/46/14/558874614.db2.gz XUAZDEGLXMTUHB-UHFFFAOYSA-N 1 0 414.521 3.020 40 0 HGABRO CCOC(=O)C1C(C[NH+]2C[C@@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055220606 558876514 /nfs/dbraw/zinc/87/65/14/558876514.db2.gz GNKWWMYSQVHRQX-NJSLBKSFSA-N 1 0 405.926 3.489 40 0 HGABRO c1csc(Cn2nnnc2[C@H](c2ccccc2)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000019369678 558878207 /nfs/dbraw/zinc/87/82/07/558878207.db2.gz KOWCBGMLPKRVKM-NRFANRHFSA-N 1 0 408.575 3.433 40 0 HGABRO O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019400038 558882609 /nfs/dbraw/zinc/88/26/09/558882609.db2.gz UQOZCSYKHDNDFO-NRFANRHFSA-N 1 0 421.545 3.493 40 0 HGABRO C[C@@H]1CCC[N@H+](CCC(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)CCCC(=O)N3)C1 ZINC000019496558 558895383 /nfs/dbraw/zinc/89/53/83/558895383.db2.gz VKRCUIRKCUECQX-WLENULPWSA-N 1 0 419.516 3.052 40 0 HGABRO CC[C@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2OC)CC3)C1 ZINC000019499785 558897883 /nfs/dbraw/zinc/89/78/83/558897883.db2.gz OQATWKUFUVPNCU-WMZOPIPTSA-N 1 0 424.545 3.111 40 0 HGABRO CCc1oc2ccccc2c1C[N@@H+]1C[C@@H](c2cccnc2)[C@]2(C1)COCCC(=O)N2 ZINC000019521361 558902576 /nfs/dbraw/zinc/90/25/76/558902576.db2.gz GTATWWDTMPCUFL-RDPSFJRHSA-N 1 0 405.498 3.265 40 0 HGABRO CCOCc1cc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2Cc2ccccc2)ccc1OC ZINC000019531194 558911903 /nfs/dbraw/zinc/91/19/03/558911903.db2.gz JXYITIWSSJXLES-KMDXXIMOSA-N 1 0 410.558 3.094 40 0 HGABRO COc1ccc([C@H](NC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2CCCC2)c2ccccc2)cc1 ZINC000019553329 558916553 /nfs/dbraw/zinc/91/65/53/558916553.db2.gz JDQHNFAGRDFFBK-ISKFKSNPSA-N 1 0 421.541 3.034 40 0 HGABRO Cc1c(C[NH+]2CCC(c3n[nH]cc3C(=O)N3CCc4ccccc4C3)CC2)cnn1C ZINC000019553561 558916574 /nfs/dbraw/zinc/91/65/74/558916574.db2.gz VUDJBDOKUBDCJF-UHFFFAOYSA-N 1 0 418.545 3.030 40 0 HGABRO COc1ccc([C@@H](NC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2CCCC2)c2ccccc2)cc1 ZINC000019553327 558916579 /nfs/dbraw/zinc/91/65/79/558916579.db2.gz 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CC(C)(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3ccccc3Cl)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382575 568489495 /nfs/dbraw/zinc/48/94/95/568489495.db2.gz SIUBPWDCQQGURL-HNBVOPMISA-N 1 0 403.954 3.118 40 0 biogenic,in-vitro HGABRO O[C@@H]1C[C@H]2CN(Cc3ccc(Br)s3)[C@@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000023247828 568509559 /nfs/dbraw/zinc/50/95/59/568509559.db2.gz JVHXGXPPTNWALC-YESZJQIVSA-N 1 0 407.377 3.373 40 0 HGABRO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)n1-c1cccnc1 ZINC000223261315 568543130 /nfs/dbraw/zinc/54/31/30/568543130.db2.gz HXLZQIONRSLRHY-LEWJYISDSA-N 1 0 406.559 3.110 40 0 HGABRO COC(=O)c1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1Cl ZINC000224516120 568583374 /nfs/dbraw/zinc/58/33/74/568583374.db2.gz ACDNNDQZXGDGLI-UHFFFAOYSA-N 1 0 422.934 3.201 40 0 HGABRO COc1ccc(OC)c(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224698378 568592574 /nfs/dbraw/zinc/59/25/74/568592574.db2.gz DTQLDCMEFKCALS-UHFFFAOYSA-N 1 0 404.532 3.168 40 0 HGABRO CCOC(=O)c1cnc(NC(=S)NCCNc2cc(C)[nH+]c3ccccc23)nc1C 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BVOVFBSNFWDQJB-DEOSSOPVSA-N 1 0 402.498 3.075 40 0 HGABRO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000257214546 568780343 /nfs/dbraw/zinc/78/03/43/568780343.db2.gz CMJZQTOQNXSDDO-HSZRJFAPSA-N 1 0 410.493 3.191 40 0 HGABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccncc3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257253821 568791325 /nfs/dbraw/zinc/79/13/25/568791325.db2.gz KAJWJHOFPWDWHA-HXUWFJFHSA-N 1 0 407.562 3.469 40 0 HGABRO COc1cccc2c1OC1(CCN(C(=O)C[NH+]3CCCC3)CC1)[C@H]1CCCO[C@H]21 ZINC000257256051 568791835 /nfs/dbraw/zinc/79/18/35/568791835.db2.gz KJWZNMANHSBPBG-GHTZIAJQSA-N 1 0 400.519 3.012 40 0 HGABRO CC(=O)Nc1cc(NC(=O)C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3Cc2cnccn2)ccc1C ZINC000257257595 568792223 /nfs/dbraw/zinc/79/22/23/568792223.db2.gz KQHWUMKSJFEKIC-WOIUINJBSA-N 1 0 421.545 3.273 40 0 HGABRO Cc1cnc(Nc2cc(CC3CCN(C(=O)[C@H]4CCCC[NH2+]4)CC3)nc(C)n2)s1 ZINC000257272527 568796297 /nfs/dbraw/zinc/79/62/97/568796297.db2.gz NCTBOAOIXLQXRT-GOSISDBHSA-N 1 0 414.579 3.217 40 0 HGABRO Cc1nn(C)cc1NC(=O)CN1CCCCC[C@@H]2[NH2+][C@H](Cc3ccccc3)C[C@@]21C ZINC000257273864 568796674 /nfs/dbraw/zinc/79/66/74/568796674.db2.gz NINRGUCGQHLNMW-SFLYRZDNSA-N 1 0 409.578 3.275 40 0 HGABRO CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)C1 ZINC000257311561 568807729 /nfs/dbraw/zinc/80/77/29/568807729.db2.gz UKAUPGJYALTPJL-HNNXBMFYSA-N 1 0 407.515 3.044 40 0 HGABRO CC(C)NC(=O)NC[C@@H]1N(C(=O)c2cccc(Cl)c2)CCCC12CC[NH+](C)CC2 ZINC000306128258 568891255 /nfs/dbraw/zinc/89/12/55/568891255.db2.gz GVMPQGUMMBJRBK-IBGZPJMESA-N 1 0 420.985 3.364 40 0 HGABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4sccc4C)C[C@@H]2C3)cc1 ZINC000306129323 568891935 /nfs/dbraw/zinc/89/19/35/568891935.db2.gz IAPYCKYCWPMVEG-JKSUJKDBSA-N 1 0 423.542 3.213 40 0 HGABRO Cc1ccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)s1 ZINC000306131014 568893376 /nfs/dbraw/zinc/89/33/76/568893376.db2.gz JUUVTNYBSFMMCM-HUUCEWRRSA-N 1 0 411.506 3.344 40 0 HGABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306131036 568893433 /nfs/dbraw/zinc/89/34/33/568893433.db2.gz JVFRVUVEBYCXLK-IRXDYDNUSA-N 1 0 407.905 3.488 40 0 HGABRO Cc1ccc(C(=O)NC[C@H]2CC[C@@]3(COCC[N@H+](Cc4cccs4)C3)O2)cc1 ZINC000306137487 568899416 /nfs/dbraw/zinc/89/94/16/568899416.db2.gz QXRIRPBAVVWQMS-DENIHFKCSA-N 1 0 400.544 3.237 40 0 HGABRO Cc1cc(C)cc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306137873 568899977 /nfs/dbraw/zinc/89/99/77/568899977.db2.gz RIQFGQJTOMTHKH-YADHBBJMSA-N 1 0 415.541 3.129 40 0 HGABRO CN1CCN(Cc2ccc(F)cc2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306138820 568900588 /nfs/dbraw/zinc/90/05/88/568900588.db2.gz SIFAORBNIMVCAO-QFIPXVFZSA-N 1 0 402.477 3.419 40 0 HGABRO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000306140770 568902587 /nfs/dbraw/zinc/90/25/87/568902587.db2.gz VDNAUZCCLSMEPK-HSZRJFAPSA-N 1 0 406.461 3.000 40 0 HGABRO CCc1ccc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CCOC)C3=O)C2)cc1 ZINC000306143080 568904667 /nfs/dbraw/zinc/90/46/67/568904667.db2.gz XSRUACVSRXWUKU-RCZVLFRGSA-N 1 0 424.589 3.491 40 0 HGABRO CCc1ccc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CCOC)C3=O)C2)cc1 ZINC000306143082 568904747 /nfs/dbraw/zinc/90/47/47/568904747.db2.gz XSRUACVSRXWUKU-WIOPSUGQSA-N 1 0 424.589 3.491 40 0 HGABRO Cc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cc1C ZINC000306143428 568905026 /nfs/dbraw/zinc/90/50/26/568905026.db2.gz YCBPZYXDLLLHSW-VXKWHMMOSA-N 1 0 415.541 3.129 40 0 HGABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4scnc4C)C[C@H]32)cc1 ZINC000306144654 568906036 /nfs/dbraw/zinc/90/60/36/568906036.db2.gz ZKZCNVVPSJHILW-VQTJNVASSA-N 1 0 408.527 3.343 40 0 HGABRO Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218608770 568939692 /nfs/dbraw/zinc/93/96/92/568939692.db2.gz TZNSCRNWRYDTDD-DXIQSLLYSA-N 1 0 416.543 3.157 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000328958389 568969809 /nfs/dbraw/zinc/96/98/09/568969809.db2.gz ANIVSRLBYBQVHO-UHFFFAOYSA-N 1 0 402.424 3.118 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccccc2Br)cc(-c2ccccc2)n1 ZINC000329008474 568972381 /nfs/dbraw/zinc/97/23/81/568972381.db2.gz LQUDJTLEJFFENV-UHFFFAOYSA-N 1 0 412.335 3.467 40 0 HGABRO Cc1nc2cc(Nc3cc(-c4ccncc4)nc(NCC[NH+](C)C)n3)ccc2s1 ZINC000329041291 568974351 /nfs/dbraw/zinc/97/43/51/568974351.db2.gz SHTHUKHPNFEXAA-UHFFFAOYSA-N 1 0 405.531 3.018 40 0 HGABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000019694749 569346692 /nfs/dbraw/zinc/34/66/92/569346692.db2.gz AXTSFFDXFWFSEV-LJQANCHMSA-N 1 0 419.504 3.437 40 0 HGABRO C[NH+](C)Cc1cnc2ccnn2c1CC1CCN(C(=O)CCOc2ccccc2)CC1 ZINC000019704792 569347755 /nfs/dbraw/zinc/34/77/55/569347755.db2.gz ZXKXIMGSYAIOAV-UHFFFAOYSA-N 1 0 421.545 3.041 40 0 HGABRO Cc1nc(N2CCCCC2)[nH]c(=O)c1C[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000141525575 569354684 /nfs/dbraw/zinc/35/46/84/569354684.db2.gz XHQREEJDQOZUDK-UHFFFAOYSA-N 1 0 415.969 3.040 40 0 HGABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)n1 ZINC000019709622 569428849 /nfs/dbraw/zinc/42/88/49/569428849.db2.gz DYNPEJWDHCLYES-KRWDZBQOSA-N 1 0 415.969 3.254 40 0 HGABRO CNc1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)CCCc2ccc(F)c(C)c2)n1 ZINC000019709957 569428933 /nfs/dbraw/zinc/42/89/33/569428933.db2.gz BHMWFKXUQKLRDL-GOSISDBHSA-N 1 0 413.541 3.414 40 0 HGABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4ccccc4)CCN3C(C)(C)C2)cc1 ZINC000253401346 291239821 /nfs/dbraw/zinc/23/98/21/291239821.db2.gz MSSYRYCDPCXLJP-JOCHJYFZSA-N 1 0 407.558 3.045 40 0 biogenic,in-vitro HGABRO COc1ccc2cc(CN(C)c3ccc(N4CC[NH+](C)CC4)cc3C)c(=O)[nH]c2c1 ZINC000013565498 537033317 /nfs/dbraw/zinc/03/33/17/537033317.db2.gz BQCLVJYYENVVRJ-UHFFFAOYSA-N 1 0 406.530 3.233 40 0 HGABRO COc1ccc2cc(-c3ccc(OC[C@H](O)C[NH2+]C(C)(C)C)cc3)n(C)c(=O)c2c1 ZINC000004213051 557529169 /nfs/dbraw/zinc/52/91/69/557529169.db2.gz MZELTXWHFDTAOO-GOSISDBHSA-N 1 0 410.514 3.342 40 0 in-man HGABRO COc1cc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc(OC)c1OC ZINC000408613161 557531264 /nfs/dbraw/zinc/53/12/64/557531264.db2.gz XSQLNOLRFPGMNU-UHFFFAOYSA-N 1 0 410.514 3.375 40 0 HGABRO O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCC[NH+]1CCCCCC1 ZINC000408704998 557730643 /nfs/dbraw/zinc/73/06/43/557730643.db2.gz WVNVPYQWGBZLCE-UHFFFAOYSA-N 1 0 415.559 3.121 40 0 HGABRO COc1cccc(C[NH2+]CCCSc2nnnn2C)c1OCc1ccc(F)cc1 ZINC000007541475 557746325 /nfs/dbraw/zinc/74/63/25/557746325.db2.gz PEKKERLYCNMOGU-UHFFFAOYSA-N 1 0 417.510 3.209 40 0 HGABRO CC(C)(C)c1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1 ZINC000010111284 557855197 /nfs/dbraw/zinc/85/51/97/557855197.db2.gz BVRJQDDYXBFZMW-UHFFFAOYSA-N 1 0 423.623 3.132 40 0 HGABRO Cc1nc2cc(C)ccn2c1C[NH+]1CCC(c2nc(C)c3c(n2)N(C)C(=O)CC3)CC1 ZINC000019739345 558260252 /nfs/dbraw/zinc/26/02/52/558260252.db2.gz MVXVUOMXCGJUCV-UHFFFAOYSA-N 1 0 418.545 3.338 40 0 HGABRO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2nc(C)c3c(n2)N(C)C(=O)CC3)CC1 ZINC000019739354 558260328 /nfs/dbraw/zinc/26/03/28/558260328.db2.gz FSVJDEQXUVVMBH-UHFFFAOYSA-N 1 0 410.566 3.468 40 0 HGABRO COc1ccc(NC(=O)c2cnc([C@@H]3CC[N@H+](Cc4ccccn4)C3)nc2C)cc1 ZINC000019753822 558273137 /nfs/dbraw/zinc/27/31/37/558273137.db2.gz GJRZRPRTPSKUHN-QGZVFWFLSA-N 1 0 403.486 3.430 40 0 HGABRO O=C1N[C@]2(CC[C@@H]3C[N@@H+](Cc4cc5c(cc4Cl)OCO5)C[C@@H]32)Nc2ccccc21 ZINC000012086060 558321602 /nfs/dbraw/zinc/32/16/02/558321602.db2.gz XAZNYOLONYIPKZ-DHZVRSILSA-N 1 0 411.889 3.462 40 0 HGABRO COCc1cc(N2CCCC2)nc(C2=CC[N@H+](C[C@@H](O)c3ccc(OC)cc3)CC2)n1 ZINC000012185801 558345276 /nfs/dbraw/zinc/34/52/76/558345276.db2.gz DZZHDKNEUOPBRE-JOCHJYFZSA-N 1 0 424.545 3.055 40 0 HGABRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1noc2c1CCCC2 ZINC000020437409 558363145 /nfs/dbraw/zinc/36/31/45/558363145.db2.gz MOBPOZATRROEQD-UHFFFAOYSA-N 1 0 402.926 3.149 40 0 HGABRO COc1cccc(-c2nc3ccc(Br)cn3c2CN2CC[NH2+]CC2)c1 ZINC000022464853 558491064 /nfs/dbraw/zinc/49/10/64/558491064.db2.gz MLYAPSQDCZEXGD-UHFFFAOYSA-N 1 0 401.308 3.178 40 0 HGABRO OCC[NH2+]CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000023263569 558547130 /nfs/dbraw/zinc/54/71/30/558547130.db2.gz BHCYFHJGCLLDGX-UHFFFAOYSA-N 1 0 413.743 3.353 40 0 HGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000013670838 558562151 /nfs/dbraw/zinc/56/21/51/558562151.db2.gz NXAMPIZTOZBHMO-HUUCEWRRSA-N 1 0 403.386 3.237 40 0 HGABRO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CC[NH+](C)CC2)cc1 ZINC000028296056 558698741 /nfs/dbraw/zinc/69/87/41/558698741.db2.gz OQLPJCBZXXJACO-QFIPXVFZSA-N 1 0 404.514 3.369 40 0 HGABRO Cc1nc2n(c(=O)c1C)CN(CCC[NH+](C)C)CN2c1ccc(Cl)cc1Cl ZINC000038830177 558816546 /nfs/dbraw/zinc/81/65/46/558816546.db2.gz LVZONFDWXBUXQY-UHFFFAOYSA-N 1 0 410.349 3.487 40 0 HGABRO C[NH+]1CCC(N(C[C@@H]2CCCO2)C(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)CC1 ZINC000019082372 558840066 /nfs/dbraw/zinc/84/00/66/558840066.db2.gz FSYYZQNTUZPECY-AEFFLSMTSA-N 1 0 402.583 3.276 40 0 HGABRO COCCOc1cc(C[N@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)ccc1OC ZINC000019216118 558850071 /nfs/dbraw/zinc/85/00/71/558850071.db2.gz VWSKACSZYMFWHY-JXALWOEJSA-N 1 0 412.530 3.153 40 0 HGABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000019404186 558884387 /nfs/dbraw/zinc/88/43/87/558884387.db2.gz JHCUHAXMIYPFTE-OAQYLSRUSA-N 1 0 410.566 3.402 40 0 HGABRO CC(C)[NH+]1CCC(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccncc32)CC1 ZINC000019447840 558886780 /nfs/dbraw/zinc/88/67/80/558886780.db2.gz NHBXXONVFFYQLN-UHFFFAOYSA-N 1 0 422.504 3.395 40 0 HGABRO CC1(C)CC(N(Cc2ccncc2)Cc2cnc(N3CCOCC3)nc2)CC(C)(C)[NH2+]1 ZINC000057810702 558890713 /nfs/dbraw/zinc/89/07/13/558890713.db2.gz IGBZZPXKFKXCBO-UHFFFAOYSA-N 1 0 424.593 3.020 40 0 HGABRO CCC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccc(F)cc4)CC3)ccc21 ZINC000019498887 558897310 /nfs/dbraw/zinc/89/73/10/558897310.db2.gz CJLPNVIOHHFATJ-QHCPKHFHSA-N 1 0 411.521 3.371 40 0 HGABRO CCC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccc(F)cc4)CC3)ccc21 ZINC000019498888 558897316 /nfs/dbraw/zinc/89/73/16/558897316.db2.gz CJLPNVIOHHFATJ-HSZRJFAPSA-N 1 0 411.521 3.371 40 0 HGABRO CCOc1cc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531906 558912078 /nfs/dbraw/zinc/91/20/78/558912078.db2.gz DJQCRVSTTDXOAY-GOSISDBHSA-N 1 0 406.486 3.229 40 0 HGABRO CCOc1cc2c(cc1C[N@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1nccn1C)O[C@H](C)C2 ZINC000019532412 558912546 /nfs/dbraw/zinc/91/25/46/558912546.db2.gz LVTZFZLXQGDXST-PZOIHYJASA-N 1 0 411.546 3.262 40 0 HGABRO COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccc(F)cc2F)cc(OC)c1OC ZINC000019549926 558914560 /nfs/dbraw/zinc/91/45/60/558914560.db2.gz JOADMUYGBKAIBJ-UZLBHIALSA-N 1 0 406.429 3.100 40 0 HGABRO COc1ccc(C[NH+]2CCC([C@@H](NC(=O)C(F)F)c3ccccn3)CC2)cc1OC ZINC000019560850 558921744 /nfs/dbraw/zinc/92/17/44/558921744.db2.gz XOHMTOZPPJPEEA-HXUWFJFHSA-N 1 0 419.472 3.433 40 0 HGABRO Cc1sc2ncn(CC3(O)CC[NH+](Cc4cccc(F)c4)CC3)c(=O)c2c1C ZINC000019561558 558922104 /nfs/dbraw/zinc/92/21/04/558922104.db2.gz FFUSKMLOMBDLKB-UHFFFAOYSA-N 1 0 401.507 3.241 40 0 HGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC1)C[C@H]2O ZINC000019563027 558923537 /nfs/dbraw/zinc/92/35/37/558923537.db2.gz BAGWHZIHWFDRKW-UXHICEINSA-N 1 0 405.441 3.358 40 0 HGABRO COc1ccccc1C[NH+]1CCC(c2cc(C(=O)NCc3ccccn3)on2)CC1 ZINC000019570148 558929020 /nfs/dbraw/zinc/92/90/20/558929020.db2.gz TVWDOVVICMJPHW-UHFFFAOYSA-N 1 0 406.486 3.388 40 0 HGABRO Cc1[nH]nc2oc(=O)c(CC(=O)NC[C@@H](c3ccccc3)[NH+]3CCC(C)CC3)c(C)c12 ZINC000019577212 558933043 /nfs/dbraw/zinc/93/30/43/558933043.db2.gz DQOJKYYWRPOZRL-FQEVSTJZSA-N 1 0 422.529 3.265 40 0 HGABRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cn1 ZINC000072330479 558934705 /nfs/dbraw/zinc/93/47/05/558934705.db2.gz PKBWIODTSVJKRX-QPPBQGQZSA-N 1 0 403.530 3.127 40 0 HGABRO COCc1ccc(OC)c(C[NH+]2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)c1 ZINC000019594337 558945373 /nfs/dbraw/zinc/94/53/73/558945373.db2.gz HAWFPJHWPZWOMJ-UHFFFAOYSA-N 1 0 410.474 3.372 40 0 HGABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)c1 ZINC000072354862 558952118 /nfs/dbraw/zinc/95/21/18/558952118.db2.gz BVEGNPDYVWTMHG-FQEVSTJZSA-N 1 0 421.476 3.180 40 0 HGABRO CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000019694868 558963497 /nfs/dbraw/zinc/96/34/97/558963497.db2.gz IRUZCZCJFFDFEU-KRWDZBQOSA-N 1 0 424.524 3.341 40 0 HGABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccc(OC(C)C)cc4)C[C@H]32)c(OC)n1 ZINC000072392607 558972285 /nfs/dbraw/zinc/97/22/85/558972285.db2.gz VSHLWBGZRRDRIU-XTQVGHSUSA-N 1 0 413.518 3.011 40 0 HGABRO CC(=O)N1CCc2nc(C3CC[NH+](C)CC3)nc(NCCc3cccc(C)c3)c2C1 ZINC000019710448 558972354 /nfs/dbraw/zinc/97/23/54/558972354.db2.gz SFYBNWUTOKHBSO-UHFFFAOYSA-N 1 0 407.562 3.153 40 0 HGABRO COc1ccc2c(c1)c([C@@H]1CN(Cc3ccc(OC)c(CO)c3)C[C@H]1[NH+](C)C)cn2C ZINC000072395539 558974566 /nfs/dbraw/zinc/97/45/66/558974566.db2.gz NMCNQOFBFUKZAP-LADGPHEKSA-N 1 0 423.557 3.217 40 0 HGABRO Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)s1 ZINC000585104641 559027113 /nfs/dbraw/zinc/02/71/13/559027113.db2.gz SKXVWTRMGJWALI-IBGZPJMESA-N 1 0 414.575 3.298 40 0 HGABRO CCN1CC[C@@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2cccc(F)c2)CC3)C1=O ZINC000096144328 559096648 /nfs/dbraw/zinc/09/66/48/559096648.db2.gz HKLONIQFPCZROU-XMMPIXPASA-N 1 0 415.553 3.258 40 0 HGABRO O=C(Nc1ccccc1)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000096144611 559096783 /nfs/dbraw/zinc/09/67/83/559096783.db2.gz FFXRJQYGEHBTIC-OAQYLSRUSA-N 1 0 402.498 3.412 40 0 HGABRO COc1ccc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)CC[C@H]3S2(=O)=O)cc1 ZINC000096145398 559097271 /nfs/dbraw/zinc/09/72/71/559097271.db2.gz LRHMEKLMVWPCAT-IFMALSPDSA-N 1 0 400.544 3.121 40 0 HGABRO COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)NCC[NH+](C)C)n4)n3c2)c1 ZINC000096155441 559099681 /nfs/dbraw/zinc/09/96/81/559099681.db2.gz NMFDAXQRKUQMKC-UHFFFAOYSA-N 1 0 403.486 3.092 40 0 HGABRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21 ZINC000096242220 559103824 /nfs/dbraw/zinc/10/38/24/559103824.db2.gz XCWJLXFWFRORNS-NRFANRHFSA-N 1 0 419.569 3.416 40 0 HGABRO O=C(CCc1cccnc1)N1C[C@@H]2C[NH+](C3CCN(Cc4ccccc4)CC3)C[C@H]2C1 ZINC000096245527 559105028 /nfs/dbraw/zinc/10/50/28/559105028.db2.gz HLAUECMPDRJKBI-ZEQRLZLVSA-N 1 0 418.585 3.069 40 0 HGABRO CCCc1cnc(Nc2cc(C3CCN(C(=O)C(C)(C)[NH3+])CC3)nc(C)n2)s1 ZINC000585262856 559111588 /nfs/dbraw/zinc/11/15/88/559111588.db2.gz ASWNJUFSCCMCEK-UHFFFAOYSA-N 1 0 402.568 3.381 40 0 HGABRO Cc1cc(C)n(CCOc2ccc(C[N@H+](C)C[C@@H](O)COc3ccccc3)cc2)n1 ZINC000257267112 559284927 /nfs/dbraw/zinc/28/49/27/559284927.db2.gz MGAOWTPDGPKIMD-JOCHJYFZSA-N 1 0 409.530 3.451 40 0 HGABRO Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000004126981 560599068 /nfs/dbraw/zinc/59/90/68/560599068.db2.gz MXQPLYGHYGSJQP-UHFFFAOYSA-N 1 0 423.586 3.060 40 0 HGABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCc3ccco3)cc2c1 ZINC000004133441 560600541 /nfs/dbraw/zinc/60/05/41/560600541.db2.gz NRVUZVSIYSXCCK-UHFFFAOYSA-N 1 0 412.559 3.122 40 0 HGABRO Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409051823 560670180 /nfs/dbraw/zinc/67/01/80/560670180.db2.gz BUUYJMCNORFJNI-LMOLPZMTSA-O 1 0 416.476 3.459 40 0 HGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccccc2)cc1 ZINC000409059434 560670980 /nfs/dbraw/zinc/67/09/80/560670980.db2.gz NFZLFGAHROXXHS-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409060444 560671035 /nfs/dbraw/zinc/67/10/35/560671035.db2.gz VEUWPXRMHZBIRG-WFZBXURCSA-O 1 0 414.485 3.020 40 0 HGABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 ZINC000409063605 560672003 /nfs/dbraw/zinc/67/20/03/560672003.db2.gz AFOXKHJZUWXECS-NXTBZVMJSA-O 1 0 402.449 3.150 40 0 HGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409061006 560672808 /nfs/dbraw/zinc/67/28/08/560672808.db2.gz BJKVTOLIPYXWHE-AYHYUOJHSA-O 1 0 414.485 3.020 40 0 HGABRO COc1cc(C[NH2+]Cc2ccccc2Cl)cc(Br)c1OCC(N)=O ZINC000008470014 560755307 /nfs/dbraw/zinc/75/53/07/560755307.db2.gz MIVVMQUJNOSLBX-UHFFFAOYSA-N 1 0 413.699 3.265 40 0 HGABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cccnc1 ZINC000223258241 568542826 /nfs/dbraw/zinc/54/28/26/568542826.db2.gz ULYZDXXEGJGLPX-YADHBBJMSA-N 1 0 420.586 3.418 40 0 HGABRO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1C[C@@H]1CCCO1 ZINC000223299352 568544510 /nfs/dbraw/zinc/54/45/10/568544510.db2.gz VAWSLDHIIGMQII-IOMROCGXSA-N 1 0 405.527 3.419 40 0 HGABRO CC1(C)Oc2cc(O)ccc2[C@H]2OCC3(CCN(C(=O)C[NH+]4CCCC4)CC3)C[C@@H]21 ZINC000257207776 568778273 /nfs/dbraw/zinc/77/82/73/568778273.db2.gz BJEMNLCVVCVVKT-SIKLNZKXSA-N 1 0 414.546 3.345 40 0 HGABRO C[C@]1(O)CN(CC(=O)Nc2ccc(OC(F)F)cc2)CC[C@@H]1Oc1ccccc1 ZINC000257233705 568785791 /nfs/dbraw/zinc/78/57/91/568785791.db2.gz GQIGNOWJNZAJOQ-RXVVDRJESA-N 1 0 406.429 3.131 40 0 HGABRO Cc1nccc(C[C@H]2CC[C@@H]3C[N@H+](CC(=O)Nc4ccnn4C4CCCC4)C[C@H]23)n1 ZINC000257274826 568797061 /nfs/dbraw/zinc/79/70/61/568797061.db2.gz NMULMOINMXWZBI-DBXWQHBBSA-N 1 0 408.550 3.236 40 0 HGABRO COc1ccccc1[C@H]1CN(C(=O)c2ccccc2C[NH+]2CCCC2)CCN1C(C)=O ZINC000257303588 568805448 /nfs/dbraw/zinc/80/54/48/568805448.db2.gz SHWBNDMSDDCDQX-HSZRJFAPSA-N 1 0 421.541 3.337 40 0 HGABRO Cc1cc(Nc2ncccc2C)cc([C@@H]2CN(CC(=O)N3CCC(C)CC3)CCO2)n1 ZINC000257317073 568809469 /nfs/dbraw/zinc/80/94/69/568809469.db2.gz VIGDJAYRUBXPBM-QFIPXVFZSA-N 1 0 423.561 3.469 40 0 HGABRO COc1cc2c(cc1C[N@@H+]1CC[C@@H](c3n[nH]cc3-c3ccnc(N)c3)C1)OCCCO2 ZINC000257319226 568810061 /nfs/dbraw/zinc/81/00/61/568810061.db2.gz VRJRGUXSSZWPTA-MRXNPFEDSA-N 1 0 421.501 3.213 40 0 HGABRO c1cn2cc(C[C@H]3COCC[N@H+](Cc4ccccc4N4CCCCC4)C3)ncc2n1 ZINC000257334383 568814415 /nfs/dbraw/zinc/81/44/15/568814415.db2.gz YFQUBHQZNNXZAI-HXUWFJFHSA-N 1 0 405.546 3.411 40 0 HGABRO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)[nH+]1 ZINC000257344361 568817387 /nfs/dbraw/zinc/81/73/87/568817387.db2.gz ZWWUKKOSORFXNB-HNNXBMFYSA-N 1 0 415.494 3.184 40 0 HGABRO Cc1nc(CN2CC[C@@]3(C[N@@H+](CC4CC4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306124836 568887628 /nfs/dbraw/zinc/88/76/28/568887628.db2.gz CARBMIHRZCCRHW-KNQAVFIVSA-N 1 0 413.591 3.457 40 0 HGABRO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 ZINC000306125860 568888649 /nfs/dbraw/zinc/88/86/49/568888649.db2.gz DDYOKNMRWGNHDQ-RTWAWAEBSA-N 1 0 408.527 3.343 40 0 HGABRO CC(C)NC(=O)N1C[C@@H]2CC[C@@H](CNC(=O)Cc3ccccc3)[N@@H+]2Cc2ccccc21 ZINC000306130026 568892586 /nfs/dbraw/zinc/89/25/86/568892586.db2.gz IUGRHOYVPBIZPZ-VXKWHMMOSA-N 1 0 420.557 3.317 40 0 HGABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1ccccc1 ZINC000306140285 568902021 /nfs/dbraw/zinc/90/20/21/568902021.db2.gz UOWICAOSLDFADU-SFTDATJTSA-N 1 0 401.466 3.298 40 0 HGABRO COc1cccc(C[NH+]2CCC3(CCc4nnc(C(=O)NC5CCCC5)n4C3)CC2)c1 ZINC000306142535 568903924 /nfs/dbraw/zinc/90/39/24/568903924.db2.gz XCGZEYYONPUPJU-UHFFFAOYSA-N 1 0 423.561 3.188 40 0 HGABRO CCc1ccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)cc1 ZINC000306144299 568905581 /nfs/dbraw/zinc/90/55/81/568905581.db2.gz ZBTPUXQYSXDDDA-WOJBJXKFSA-N 1 0 401.514 3.397 40 0 HGABRO CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccs2)CC1 ZINC000306144342 568905675 /nfs/dbraw/zinc/90/56/75/568905675.db2.gz ZCXKYIAAJFKUTG-UHFFFAOYSA-N 1 0 401.580 3.344 40 0 HGABRO COc1ccc(Cl)cc1Nc1cc(-c2ccccn2)nc(NCCC[NH+](C)C)n1 ZINC000328968517 568970446 /nfs/dbraw/zinc/97/04/46/568970446.db2.gz DAKVOPJFAIMTBI-UHFFFAOYSA-N 1 0 412.925 3.152 40 0 HGABRO COc1ccc(Cl)cc1Nc1cc(-c2cccnc2)nc(NCCC[NH+](C)C)n1 ZINC000328984093 568971204 /nfs/dbraw/zinc/97/12/04/568971204.db2.gz HKTBCPBOZDUWOX-UHFFFAOYSA-N 1 0 412.925 3.152 40 0 HGABRO CCc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328982846 568971210 /nfs/dbraw/zinc/97/12/10/568971210.db2.gz HCZCHZWJKNIHPW-SFHVURJKSA-N 1 0 400.523 3.048 40 0 HGABRO COc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccccc3OC)cc2c1 ZINC000004231280 569051787 /nfs/dbraw/zinc/05/17/87/569051787.db2.gz GXTCITHKGUOFHQ-UHFFFAOYSA-N 1 0 424.501 3.141 40 0 HGABRO O=C(COc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000253413552 569058200 /nfs/dbraw/zinc/05/82/00/569058200.db2.gz VBSIUGOTPKTTKF-KKIGLAAZSA-N 1 0 410.514 3.216 40 0 HGABRO O[C@H](C[N@@H+]1CCC[C@](O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000247758498 569315442 /nfs/dbraw/zinc/31/54/42/569315442.db2.gz FXGUBIVSHDAYFI-NFBKMPQASA-N 1 0 401.478 3.394 40 0 HGABRO Cc1cc2nc([C@H]3CCC[N@@H+](C[C@H](C)Cc4ccc5c(c4)OCO5)C3)cc(N)n2n1 ZINC000248329179 569316751 /nfs/dbraw/zinc/31/67/51/569316751.db2.gz CSUSDDAYRNWWRA-QAPCUYQASA-N 1 0 407.518 3.407 40 0 HGABRO CCn1cc(C[NH+]2CCC(c3nc(-c4ccc(OC)cc4)c(C(=O)NC)[nH]3)CC2)cn1 ZINC000019696961 569346822 /nfs/dbraw/zinc/34/68/22/569346822.db2.gz NCELUHATRHQDMQ-UHFFFAOYSA-N 1 0 422.533 3.041 40 0 HGABRO CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000019702033 569347359 /nfs/dbraw/zinc/34/73/59/569347359.db2.gz WIMPBWHDIIFIFR-SFHVURJKSA-N 1 0 409.555 3.393 40 0 HGABRO Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000252516540 569388078 /nfs/dbraw/zinc/38/80/78/569388078.db2.gz TZNSCRNWRYDTDD-WOIUINJBSA-N 1 0 416.543 3.157 40 0 HGABRO CNc1cc(CN(C)C(=O)CCCc2ccc(F)c(C)c2)nc(C2CC[NH2+]CC2)n1 ZINC000019710172 569428895 /nfs/dbraw/zinc/42/88/95/569428895.db2.gz KAAPTSCLDYJGNJ-UHFFFAOYSA-N 1 0 413.541 3.414 40 0 HGABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CN(C(=O)CCc1nc3ccccc3s1)CC2 ZINC000019710815 569428905 /nfs/dbraw/zinc/42/89/05/569428905.db2.gz VUUPYZBTVPWHHV-QGZVFWFLSA-N 1 0 422.558 3.070 40 0 HGABRO CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@H](C)CO)[nH+]1 ZINC000328982363 571306444 /nfs/dbraw/zinc/30/64/44/571306444.db2.gz GZHNQTBLIGAOCV-CYBMUJFWSA-N 1 0 405.340 3.718 40 0 HGABRO CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(NCCCO)[nH+]1 ZINC000328983183 571306473 /nfs/dbraw/zinc/30/64/73/571306473.db2.gz HEPHFKUQPPDGDJ-UHFFFAOYSA-N 1 0 405.340 3.720 40 0 HGABRO Cc1cnc(Nc2nc(C3CCN(C(=O)[C@@H]4CCCC[NH2+]4)CC3)cn3cccc23)s1 ZINC000585263385 571309452 /nfs/dbraw/zinc/30/94/52/571309452.db2.gz YDEDAXFKSFJXON-KRWDZBQOSA-N 1 0 424.574 3.691 40 0 HGABRO CC(=O)N1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccccc5F)c43)C2)CC1 ZINC000008635279 291231755 /nfs/dbraw/zinc/23/17/55/291231755.db2.gz MAGXBKUVFIPCTB-ZWKOTPCHSA-N 1 0 409.505 3.084 40 0 biogenic,in-vitro HGABRO COCC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C ZINC000008635467 291236573 /nfs/dbraw/zinc/23/65/73/291236573.db2.gz NGBQGXBVABXUSR-NNWRFLSQSA-N 1 0 418.541 3.181 40 0 biogenic,in-vitro HGABRO COCCNC(=O)[C@@H]1Cc2cn(Cc3ccncc3)c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171635 291236856 /nfs/dbraw/zinc/23/68/56/291236856.db2.gz OORFKDVFJMYGJX-VXKWHMMOSA-N 1 0 420.557 3.449 40 0 biogenic,in-vitro HGABRO Fc1ccc(C[NH2+]C[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)cc1F ZINC000096269369 291242703 /nfs/dbraw/zinc/24/27/03/291242703.db2.gz OCHNJTBBXNZCHI-INIZCTEOSA-N 1 0 413.424 3.288 40 0 biogenic,in-vitro HGABRO O=C(NCc1ccccc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(F)cc2)nn1 ZINC000008298190 291243624 /nfs/dbraw/zinc/24/36/24/291243624.db2.gz YNTRRQCZJFQHJC-FCEUIQTBSA-N 1 0 419.504 3.111 40 0 biogenic,in-vitro HGABRO O=C(Nc1ccccc1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000008298314 291244948 /nfs/dbraw/zinc/24/49/48/291244948.db2.gz PNVBBIITXLYMQC-ZEYPLWLESA-N 1 0 417.513 3.206 40 0 biogenic,in-vitro HGABRO C[C@H](C(=O)NC1CC[NH+](CC2(c3cccc(F)c3)CCCC2)CC1)N1CCCC1=O ZINC000072393446 526033349 /nfs/dbraw/zinc/03/33/49/526033349.db2.gz BKBXFFHRWDGOJJ-GOSISDBHSA-N 1 0 415.553 3.229 40 0 HGABRO Nc1nc(-c2ccccc2)nc2nc([C@@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)ccc12 ZINC000019743306 558263827 /nfs/dbraw/zinc/26/38/27/558263827.db2.gz ILYGRFHCXLWRDU-GOSISDBHSA-N 1 0 416.529 3.076 40 0 HGABRO Cn1cc(C(=O)NCc2ccccn2)c(CC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000019756347 558274452 /nfs/dbraw/zinc/27/44/52/558274452.db2.gz YLPITDHWSWWBFL-UHFFFAOYSA-N 1 0 417.557 3.242 40 0 HGABRO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCC[C@@H](c2nc3ccccc3c(=O)[nH]2)C1 ZINC000012145139 558336323 /nfs/dbraw/zinc/33/63/23/558336323.db2.gz BQLWHPMDVOXHGU-MRXNPFEDSA-N 1 0 406.486 3.132 40 0 HGABRO CCCc1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CN(C(C)=O)Cc4ccccc4O3)C2)cn1 ZINC000012235570 558358559 /nfs/dbraw/zinc/35/85/59/558358559.db2.gz WARHGDVHAMOJPZ-OFNKIYASSA-N 1 0 408.546 3.451 40 0 HGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc4c(c3)CCO4)CC1)C[C@H]2O ZINC000012329309 558384017 /nfs/dbraw/zinc/38/40/17/558384017.db2.gz YUPQQSBWLXTTIU-RTWAWAEBSA-N 1 0 411.498 3.014 40 0 HGABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000022074725 558462465 /nfs/dbraw/zinc/46/24/65/558462465.db2.gz YRUSZOYKPSIYKC-UHFFFAOYSA-N 1 0 403.331 3.372 40 0 HGABRO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1)Nc1ccccc1 ZINC000022607378 558500916 /nfs/dbraw/zinc/50/09/16/558500916.db2.gz ZFZFMFJFVJUTPE-AWEZNQCLSA-N 1 0 402.817 3.139 40 0 HGABRO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000027963019 558685315 /nfs/dbraw/zinc/68/53/15/558685315.db2.gz AQXKEPDXKOEFAI-UHFFFAOYSA-N 1 0 422.934 3.201 40 0 HGABRO Cc1ncc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000036734291 558801230 /nfs/dbraw/zinc/80/12/30/558801230.db2.gz SSIKNOMZEAAOPT-UGKGYDQZSA-N 1 0 411.525 3.095 40 0 HGABRO CCC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccccc4OC)CC3)ccc21 ZINC000036741242 558802036 /nfs/dbraw/zinc/80/20/36/558802036.db2.gz YEGKEAUIDDLKHQ-HSZRJFAPSA-N 1 0 423.557 3.240 40 0 HGABRO Cc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)c1 ZINC000038831223 558816713 /nfs/dbraw/zinc/81/67/13/558816713.db2.gz MYJNFISKPCAUEF-UHFFFAOYSA-N 1 0 421.585 3.356 40 0 HGABRO Cn1ccnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000019291300 558863910 /nfs/dbraw/zinc/86/39/10/558863910.db2.gz ATHZOPWLUAKWTM-DHIUTWEWSA-N 1 0 421.589 3.061 40 0 HGABRO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)no1)N1CCC(O)CC1 ZINC000019334002 558869242 /nfs/dbraw/zinc/86/92/42/558869242.db2.gz LHDGJYRKCQPKCF-INIZCTEOSA-N 1 0 403.910 3.305 40 0 HGABRO O=C(Nc1ccccc1C[NH+]1CCCCCC1)[C@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000019349110 558874951 /nfs/dbraw/zinc/87/49/51/558874951.db2.gz CGULCLHTZHHVBE-NRFANRHFSA-N 1 0 406.530 3.445 40 0 HGABRO O=C(c1ccncc1)N1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019375587 558881725 /nfs/dbraw/zinc/88/17/25/558881725.db2.gz ZYTUVCLIORXTBM-UHFFFAOYSA-N 1 0 407.514 3.130 40 0 HGABRO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)no1)N1CCC(O)CC1 ZINC000019376076 558882309 /nfs/dbraw/zinc/88/23/09/558882309.db2.gz ZJSFQQHANDRQFO-SFHVURJKSA-N 1 0 420.513 3.199 40 0 HGABRO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)no1)N1CCC(O)CC1 ZINC000019376075 558882357 /nfs/dbraw/zinc/88/23/57/558882357.db2.gz ZJSFQQHANDRQFO-GOSISDBHSA-N 1 0 420.513 3.199 40 0 HGABRO O=c1cc([C@H]2CCC[N@@H+](Cc3c[nH]cc4c(Cl)nnc3-4)C2)nc(-c2ccccn2)[nH]1 ZINC000019402782 558884024 /nfs/dbraw/zinc/88/40/24/558884024.db2.gz QUYBINHGNVMINR-ZDUSSCGKSA-N 1 0 421.892 3.136 40 0 HGABRO C[C@@H](CCC(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1)[NH+]1CCN(C)CC1 ZINC000019455588 558891921 /nfs/dbraw/zinc/89/19/21/558891921.db2.gz BGEWVEZQVKTWKK-HTAPYJJXSA-N 1 0 400.954 3.357 40 0 HGABRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019456282 558892141 /nfs/dbraw/zinc/89/21/41/558892141.db2.gz SVCOQXYWYFMBTM-KNQAVFIVSA-N 1 0 424.541 3.216 40 0 HGABRO CC1(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)CCC1 ZINC000019461169 558893530 /nfs/dbraw/zinc/89/35/30/558893530.db2.gz KSFKFGLKHSQPAT-SFTDATJTSA-N 1 0 419.573 3.351 40 0 HGABRO CC[C@@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2OC)CC3)C1 ZINC000019499782 558897793 /nfs/dbraw/zinc/89/77/93/558897793.db2.gz OQATWKUFUVPNCU-SJLPKXTDSA-N 1 0 424.545 3.111 40 0 HGABRO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+](Cc4cnn(C)c4C)C3)no2)cc1 ZINC000019553687 558916796 /nfs/dbraw/zinc/91/67/96/558916796.db2.gz KGDJDXXQODPCAN-SFHVURJKSA-N 1 0 423.517 3.035 40 0 HGABRO COc1ncc(C[NH+]2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)cn1 ZINC000019572090 558930479 /nfs/dbraw/zinc/93/04/79/558930479.db2.gz UDRUCXRMOYGXSD-UHFFFAOYSA-N 1 0 417.517 3.291 40 0 HGABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@H](c2ccnc3ncnn32)C1 ZINC000072334866 558935792 /nfs/dbraw/zinc/93/57/92/558935792.db2.gz LPIVCUXDKPMBIB-HXUWFJFHSA-N 1 0 404.518 3.130 40 0 HGABRO Cc1c([C@@H](O)C[NH+]2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc2n1C ZINC000019581794 558937072 /nfs/dbraw/zinc/93/70/72/558937072.db2.gz VIKLMTOUBDCLTD-QHCPKHFHSA-N 1 0 418.541 3.397 40 0 HGABRO CN(C)c1cc(CC[NH2+]Cc2ccc(N3CCCC3=O)cc2)nc(-c2ccccn2)n1 ZINC000019584309 558938318 /nfs/dbraw/zinc/93/83/18/558938318.db2.gz OWKGINYOUWMYEF-UHFFFAOYSA-N 1 0 416.529 3.064 40 0 HGABRO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cccc4ncccc24)C3)c(OC)n1 ZINC000019594749 558945563 /nfs/dbraw/zinc/94/55/63/558945563.db2.gz LQEGXAUNZVLOES-QLCVBSLISA-N 1 0 420.513 3.162 40 0 HGABRO Cc1nn(C)cc1C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352452 558948683 /nfs/dbraw/zinc/94/86/83/558948683.db2.gz OKXKARQQTPGSHX-KRWDZBQOSA-N 1 0 424.570 3.405 40 0 HGABRO COCCc1ncc(C[NH+]2CCC(c3cc(-c4ccc(N)nc4)cc(C)n3)CC2)cn1 ZINC000019692142 558961802 /nfs/dbraw/zinc/96/18/02/558961802.db2.gz FIYGJGFHFXJBHR-UHFFFAOYSA-N 1 0 418.545 3.393 40 0 HGABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)CCCc1ccccc1)C2 ZINC000019707911 558970122 /nfs/dbraw/zinc/97/01/22/558970122.db2.gz AXIDJEVTPLQJAN-IBGZPJMESA-N 1 0 407.562 3.235 40 0 HGABRO COc1cc(C[NH+]2CCC([C@@H](NC(C)=O)c3nccs3)CC2)cc(OC)c1OC ZINC000072394568 558973628 /nfs/dbraw/zinc/97/36/28/558973628.db2.gz JVMBGKMVXFTFKA-LJQANCHMSA-N 1 0 419.547 3.258 40 0 HGABRO COCCOc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 ZINC000072395325 558974079 /nfs/dbraw/zinc/97/40/79/558974079.db2.gz VNYLCXRKCRLXON-INIZCTEOSA-N 1 0 417.460 3.467 40 0 HGABRO COc1cccc(C[N@@H+]2CCCC[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)c1 ZINC000072399180 558976810 /nfs/dbraw/zinc/97/68/10/558976810.db2.gz QVEHVNUQEPTWIV-SIKLNZKXSA-N 1 0 400.544 3.370 40 0 HGABRO Cc1sc2ncnc(N3CCC(C(=O)N[C@@H](C)C[NH+]4CCCC4)CC3)c2c1C ZINC000019716466 558978256 /nfs/dbraw/zinc/97/82/56/558978256.db2.gz HWYXNELQLNDERI-AWEZNQCLSA-N 1 0 401.580 3.125 40 0 HGABRO Cc1nc2cc(NC(=O)[C@@H]3CCC[N@H+](CCC(N)=O)C3)ccc2n1C1CCCCC1 ZINC000019717590 558980494 /nfs/dbraw/zinc/98/04/94/558980494.db2.gz XHDJGOKZMBUDEI-QGZVFWFLSA-N 1 0 411.550 3.376 40 0 HGABRO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCCN2C(=O)CNC(=O)c2ccccc2)CC1 ZINC000585100467 559024002 /nfs/dbraw/zinc/02/40/02/559024002.db2.gz KZGANLZVVDFTFF-DEOSSOPVSA-N 1 0 424.545 3.069 40 0 HGABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)cc1 ZINC000585104168 559025863 /nfs/dbraw/zinc/02/58/63/559025863.db2.gz MDCXQIOADCRQPI-HSZRJFAPSA-N 1 0 423.557 3.299 40 0 HGABRO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[N@H+](C)[C@H]3CC[C@H](O)CC3)C2)CC1 ZINC000585104820 559027257 /nfs/dbraw/zinc/02/72/57/559027257.db2.gz TUEMJAXTPIZGDF-YPAWHYETSA-N 1 0 414.590 3.496 40 0 HGABRO CCCN1CCN(C(=O)C(C)(C)[NH3+])C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183575 559070385 /nfs/dbraw/zinc/07/03/85/559070385.db2.gz BZDSDJFPSZYUFI-OAQYLSRUSA-N 1 0 407.558 3.330 40 0 HGABRO O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000585183671 559070497 /nfs/dbraw/zinc/07/04/97/559070497.db2.gz ZCSWSOBMHIZHLA-HXUWFJFHSA-N 1 0 409.452 3.395 40 0 HGABRO CN1CCN(C(=O)C[C@@H]2CC3(CC[NH+](Cc4ccncc4)CC3)c3ccccc32)CC1 ZINC000096052945 559092730 /nfs/dbraw/zinc/09/27/30/559092730.db2.gz PPMBBXHBSPQWDT-JOCHJYFZSA-N 1 0 418.585 3.267 40 0 HGABRO Cc1ccc(C(=O)N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)o1 ZINC000096052901 559092770 /nfs/dbraw/zinc/09/27/70/559092770.db2.gz XAZDCJSDSZCGMP-IBGZPJMESA-N 1 0 423.557 3.317 40 0 HGABRO Cn1cc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NC2CCC2)c2ccccc2O3)cn1 ZINC000096053383 559093284 /nfs/dbraw/zinc/09/32/84/559093284.db2.gz NUBJELZSPVHNPW-IBGZPJMESA-N 1 0 408.546 3.380 40 0 HGABRO Cc1ccc(NC(=O)N2CCC3(C[N@@H+](CC(C)C)C[C@]34CCN(C)C4=O)CC2)cc1 ZINC000096144216 559096480 /nfs/dbraw/zinc/09/64/80/559096480.db2.gz JXFYELINCHREOO-DEOSSOPVSA-N 1 0 412.578 3.429 40 0 HGABRO CC[N@@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)c3ccc(OC)cc3)CC[C@@H]12 ZINC000096145313 559097210 /nfs/dbraw/zinc/09/72/10/559097210.db2.gz ITFGLRSPOBQIQM-ZJSXRUAMSA-N 1 0 422.529 3.046 40 0 HGABRO CC(C)[C@@H](C)NC(=O)c1ncn2c1nccc2C1CC[NH+](Cc2cccnc2)CC1 ZINC000096155703 559099873 /nfs/dbraw/zinc/09/98/73/559099873.db2.gz DXOFTFHGONAYRE-QGZVFWFLSA-N 1 0 406.534 3.278 40 0 HGABRO O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000096156833 559100717 /nfs/dbraw/zinc/10/07/17/559100717.db2.gz RCDKJOMJEQABOA-OAQYLSRUSA-N 1 0 407.514 3.150 40 0 HGABRO CN(C)c1cccc(C(=O)N2CCC3(C[C@H]([N@H+](C)Cc4cccnc4)CO3)CC2)c1 ZINC000096220866 559101977 /nfs/dbraw/zinc/10/19/77/559101977.db2.gz DBDLCKHMGHUSDD-QFIPXVFZSA-N 1 0 408.546 3.043 40 0 HGABRO O=C(c1cc(F)cc(F)c1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096239943 559103503 /nfs/dbraw/zinc/10/35/03/559103503.db2.gz XEUVGCIBELZTMR-UHFFFAOYSA-N 1 0 401.457 3.115 40 0 HGABRO CCN1CC[C@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2ccc(F)cc2)CC3)C1=O ZINC000096262768 559106704 /nfs/dbraw/zinc/10/67/04/559106704.db2.gz HKNATMNYZVSHRG-DEOSSOPVSA-N 1 0 415.553 3.258 40 0 HGABRO Cc1ccc(C[NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)cc1 ZINC000096263477 559107060 /nfs/dbraw/zinc/10/70/60/559107060.db2.gz BOZRSKVVXDROKZ-UHFFFAOYSA-N 1 0 400.544 3.290 40 0 HGABRO OC1(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CCCCCC1 ZINC000585284657 559121250 /nfs/dbraw/zinc/12/12/50/559121250.db2.gz YZUZBVUHRSKNJG-FQEVSTJZSA-N 1 0 401.906 3.007 40 0 HGABRO Cc1cc(C)cc(OC[C@@]2(O)C[N@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 ZINC000585285132 559121474 /nfs/dbraw/zinc/12/14/74/559121474.db2.gz CPUCJHXXTCCTOI-INWJIATQSA-N 1 0 419.606 3.447 40 0 HGABRO Cc1cnc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)nc(C)n2)s1 ZINC000585292513 559125285 /nfs/dbraw/zinc/12/52/85/559125285.db2.gz NUKGLWYIAGPDIM-LKUPDRCFSA-N 1 0 400.552 3.465 40 0 HGABRO CO[C@H]1CC[C@H](C(=O)NCCn2nc(-c3ccccc3F)cc2C[NH+](C)C)CC1 ZINC000100733697 559138757 /nfs/dbraw/zinc/13/87/57/559138757.db2.gz MFULDIWMBCUHBT-MAEOIBBWSA-N 1 0 402.514 3.072 40 0 HGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(I)c2)C1 ZINC000107681320 559165725 /nfs/dbraw/zinc/16/57/25/559165725.db2.gz SNZAIHDSIFDCCD-ZIAGYGMSSA-N 1 0 400.304 3.389 40 0 HGABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](CC(=O)NCc3cccc(F)c3)CC2)cc1 ZINC000257334547 559283341 /nfs/dbraw/zinc/28/33/41/559283341.db2.gz YGJUHAADGLMPOA-HSZRJFAPSA-N 1 0 400.494 3.046 40 0 HGABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](CC(=O)NCCc3ccccc3)CC2)c(C)c1 ZINC000257280981 559285340 /nfs/dbraw/zinc/28/53/40/559285340.db2.gz ONEQMSVNZQOZDZ-RUZDIDTESA-N 1 0 410.558 3.258 40 0 HGABRO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](CCCc2ccccc2)CC[C@@]1(C)O ZINC000514289966 560031038 /nfs/dbraw/zinc/03/10/38/560031038.db2.gz RAZSXZRZMIHGRJ-FDFHNCONSA-N 1 0 402.560 3.010 40 0 biogenic,in-vitro HGABRO COc1ccc2c3c1O[C@@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@](C)(C(C)(C)O)C2 ZINC000253503891 560038557 /nfs/dbraw/zinc/03/85/57/560038557.db2.gz AKBVQTSSRCUQMV-VIEWORRFSA-N 1 0 411.542 3.077 40 0 biogenic,in-vitro HGABRO Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409052399 560669514 /nfs/dbraw/zinc/66/95/14/560669514.db2.gz DOUKIGIQNHZFPB-WXUIRWOTSA-O 1 0 402.449 3.150 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000409052742 560669535 /nfs/dbraw/zinc/66/95/35/560669535.db2.gz HXWOXDUAHMBITL-UGYRXPJGSA-O 1 0 404.877 3.356 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000409052738 560669545 /nfs/dbraw/zinc/66/95/45/560669545.db2.gz HXWOXDUAHMBITL-NAGXTHEASA-O 1 0 404.877 3.356 40 0 HGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccccc2)cc1 ZINC000409058883 560670808 /nfs/dbraw/zinc/67/08/08/560670808.db2.gz LXTDSIBAAOJGBD-WFZBXURCSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409066945 560672402 /nfs/dbraw/zinc/67/24/02/560672402.db2.gz IBAUOPOGWKTMBV-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO COc1cc(CNCCC[NH+](C)C)cc(Br)c1OCc1cccnc1 ZINC000006871417 560747639 /nfs/dbraw/zinc/74/76/39/560747639.db2.gz BQZDINYFJDVNHC-UHFFFAOYSA-N 1 0 408.340 3.473 40 0 HGABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000010279318 560766497 /nfs/dbraw/zinc/76/64/97/560766497.db2.gz XJRULRMNJXWUPE-UHFFFAOYSA-N 1 0 421.607 3.166 40 0 HGABRO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1 ZINC000017094152 560868726 /nfs/dbraw/zinc/86/87/26/560868726.db2.gz DJDMICDWJVQSJI-HXUWFJFHSA-N 1 0 424.888 3.244 40 0 HGABRO COc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CC1 ZINC000023115494 560891154 /nfs/dbraw/zinc/89/11/54/560891154.db2.gz SWFMYEJWXJGCLJ-JDKSZYQJSA-N 1 0 402.579 3.410 40 0 HGABRO O=C(NCCC[NH+]1CCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000216258167 568463812 /nfs/dbraw/zinc/46/38/12/568463812.db2.gz HQJUOPYZLXKUIM-UHFFFAOYSA-N 1 0 421.950 3.357 40 0 HGABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]C[C@H](O)c3ccccc3)o2)c1 ZINC000022108606 568475380 /nfs/dbraw/zinc/47/53/80/568475380.db2.gz NZWJRPYBXMSQOQ-FQEVSTJZSA-N 1 0 409.438 3.343 40 0 HGABRO CC(C)C[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000604382413 568489554 /nfs/dbraw/zinc/48/95/54/568489554.db2.gz RKWMEHMRNUGIAV-UAFMIMERSA-N 1 0 423.479 3.308 40 0 biogenic,in-vitro HGABRO COc1cccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccccc4F)CC3)n2)c1 ZINC000219424397 568491732 /nfs/dbraw/zinc/49/17/32/568491732.db2.gz XPRHTNDGEPRHHI-UHFFFAOYSA-N 1 0 424.476 3.413 40 0 HGABRO Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)nc1 ZINC000223215223 568541300 /nfs/dbraw/zinc/54/13/00/568541300.db2.gz OLTHXGWYXSOHGT-YADHBBJMSA-N 1 0 420.586 3.500 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 ZINC000223220030 568541383 /nfs/dbraw/zinc/54/13/83/568541383.db2.gz NZQPCMQPODGIQO-LEWJYISDSA-N 1 0 409.559 3.449 40 0 HGABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 ZINC000223254029 568542762 /nfs/dbraw/zinc/54/27/62/568542762.db2.gz VCMLZQUYVZIYFS-LSDHHAIUSA-N 1 0 411.394 3.440 40 0 HGABRO Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)nc1 ZINC000223257320 568542852 /nfs/dbraw/zinc/54/28/52/568542852.db2.gz VSOVMBPFTUPYMW-LEWJYISDSA-N 1 0 406.559 3.110 40 0 HGABRO COC(=O)c1ccc(CS(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224679558 568592191 /nfs/dbraw/zinc/59/21/91/568592191.db2.gz DPKPMRWHZLECJG-UHFFFAOYSA-N 1 0 416.543 3.079 40 0 HGABRO Cc1ccc(C(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(I)c1 ZINC000225028052 568610013 /nfs/dbraw/zinc/61/00/13/568610013.db2.gz KMXVAALSWALYKU-KBPBESRZSA-N 1 0 400.304 3.307 40 0 HGABRO O=C(CCC[NH+]1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000537753 568710881 /nfs/dbraw/zinc/71/08/81/568710881.db2.gz RIOZXKPJYKSKJV-UHFFFAOYSA-N 1 0 413.468 3.356 40 0 in-man HGABRO O=S(=O)(NC[C@H]1CC2(CC[NH+](Cc3cccc4ccccc43)CC2)O1)C1CC1 ZINC000247295342 568744423 /nfs/dbraw/zinc/74/44/23/568744423.db2.gz CKKSZVPVYZIHJO-LJQANCHMSA-N 1 0 400.544 3.045 40 0 HGABRO COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@H]([NH3+])C(C)C)CC[C@H]3O[C@@H]21 ZINC000257234428 568785900 /nfs/dbraw/zinc/78/59/00/568785900.db2.gz GTMTVRUSDCHBBM-RUXLODGWSA-N 1 0 402.535 3.144 40 0 HGABRO Cc1cc(-c2cncnc2)cc([C@@H]2CN(C(=O)CCC[NH+]3CCCCCC3)CCO2)n1 ZINC000257318677 568809994 /nfs/dbraw/zinc/80/99/94/568809994.db2.gz VOYZENUYENJXKW-QHCPKHFHSA-N 1 0 423.561 3.403 40 0 HGABRO Cc1nonc1CC(=O)N1CC[C@H](c2cc(Nc3nc(C)c(C)s3)cc(C)[nH+]2)C1 ZINC000257340220 568816161 /nfs/dbraw/zinc/81/61/61/568816161.db2.gz ZFCQQCKIFWXNCK-HNNXBMFYSA-N 1 0 412.519 3.457 40 0 HGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccco3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306125588 568888347 /nfs/dbraw/zinc/88/83/47/568888347.db2.gz CVBLCHSCFSZWEY-URXFXBBRSA-N 1 0 419.529 3.470 40 0 HGABRO COc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 ZINC000306125859 568888519 /nfs/dbraw/zinc/88/85/19/568888519.db2.gz DDYOKNMRWGNHDQ-NHCUHLMSSA-N 1 0 408.527 3.343 40 0 HGABRO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(NCc3ccccc3)nc12 ZINC000306127125 568890000 /nfs/dbraw/zinc/89/00/00/568890000.db2.gz FOZIKEHBVLRNFK-XMMPIXPASA-N 1 0 418.545 3.113 40 0 HGABRO CN(C)c1cccc(C(=O)N2CCO[C@]3(CCCC[C@@H]3[NH2+]Cc3cccnc3)C2)c1 ZINC000306128748 568891442 /nfs/dbraw/zinc/89/14/42/568891442.db2.gz HJMUWFBUXRTCGW-LADGPHEKSA-N 1 0 408.546 3.091 40 0 HGABRO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306132053 568894494 /nfs/dbraw/zinc/89/44/94/568894494.db2.gz KWOZQSAPOSINPM-RTBURBONSA-N 1 0 421.932 3.166 40 0 HGABRO Cn1cc(C[NH2+]C[C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)c4ccccc4CN23)cn1 ZINC000306135230 568897255 /nfs/dbraw/zinc/89/72/55/568897255.db2.gz OLJKWZVTIQXYAM-GOTSBHOMSA-N 1 0 415.541 3.203 40 0 HGABRO O=C1CCCN1c1ncc2c(n1)[C@]1(CC[N@H+](Cc3cccc4ccccc43)C1)COC2 ZINC000306139337 568901106 /nfs/dbraw/zinc/90/11/06/568901106.db2.gz SUWFXDMRYQBIPM-VWLOTQADSA-N 1 0 414.509 3.431 40 0 HGABRO Cc1cccc(C[N@H+]2Cc3c(=O)n(C)[n-]c3C3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000306139823 568901618 /nfs/dbraw/zinc/90/16/18/568901618.db2.gz UBOPAYCOJBFWHU-UHFFFAOYSA-N 1 0 417.557 3.379 40 0 HGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2c(C(=O)NC4CCCC4)[nH]nc23)s1 ZINC000306140070 568901914 /nfs/dbraw/zinc/90/19/14/568901914.db2.gz UISBUSUOWGIENG-OAQYLSRUSA-N 1 0 400.548 3.126 40 0 HGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccoc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306141153 568902857 /nfs/dbraw/zinc/90/28/57/568902857.db2.gz VMRUAEYDKAPYQI-QPPBQGQZSA-N 1 0 419.529 3.470 40 0 HGABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(C(C)C)[C@@H](C(=O)N(C)C)c2cncn23)cc1C ZINC000306141693 568903318 /nfs/dbraw/zinc/90/33/18/568903318.db2.gz WEDYNSPETDNYLO-HSZRJFAPSA-N 1 0 423.605 3.345 40 0 HGABRO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306143049 568904634 /nfs/dbraw/zinc/90/46/34/568904634.db2.gz XRTUHKRTKKHDMO-IAGOWNOFSA-N 1 0 407.905 3.488 40 0 HGABRO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306143051 568904719 /nfs/dbraw/zinc/90/47/19/568904719.db2.gz XRTUHKRTKKHDMO-SJORKVTESA-N 1 0 407.905 3.488 40 0 HGABRO Cc1ccc(Nc2cc(-c3cccnc3)nc(NCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329010755 568972624 /nfs/dbraw/zinc/97/26/24/568972624.db2.gz MBHPECRNBYWAKM-UHFFFAOYSA-N 1 0 416.451 3.427 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2c(Cl)cccc2Cl)cc(-c2ccccn2)n1 ZINC000329013990 568972631 /nfs/dbraw/zinc/97/26/31/568972631.db2.gz MTFRYFCOVVEMKY-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2cccnc2)n1 ZINC000329053430 568974751 /nfs/dbraw/zinc/97/47/51/568974751.db2.gz VGTQLWOOIIJDHP-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2ccccc2C(F)(F)F)cc(C(F)(F)F)n1 ZINC000329056622 568974973 /nfs/dbraw/zinc/97/49/73/568974973.db2.gz VSOVAFXHOKAUBU-UHFFFAOYSA-N 1 0 407.362 3.465 40 0 HGABRO COc1cc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)cc(OC)c1 ZINC000329062962 568975048 /nfs/dbraw/zinc/97/50/48/568975048.db2.gz XBMCIMCMPCLGBU-UHFFFAOYSA-N 1 0 407.518 3.112 40 0 HGABRO O=C(COc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199158 569059031 /nfs/dbraw/zinc/05/90/31/569059031.db2.gz VBSIUGOTPKTTKF-KTXJPYHWSA-N 1 0 410.514 3.216 40 0 HGABRO Ic1cccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228929105 569284369 /nfs/dbraw/zinc/28/43/69/569284369.db2.gz JAMBVAHQMBPJJI-UHFFFAOYSA-N 1 0 420.258 3.099 40 0 HGABRO Cc1ccc(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2C[NH+](C)C)cc1 ZINC000248111228 569316255 /nfs/dbraw/zinc/31/62/55/569316255.db2.gz KENWIABETVAWCT-BJKOFHAPSA-N 1 0 421.585 3.353 40 0 HGABRO CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000005978838 569329138 /nfs/dbraw/zinc/32/91/38/569329138.db2.gz IMVFCBWTGGKPRC-UHFFFAOYSA-N 1 0 412.559 3.354 40 0 HGABRO CC(=O)NCCn1nc([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)c2cccnc21 ZINC000012219504 569344626 /nfs/dbraw/zinc/34/46/26/569344626.db2.gz NJQPHGODBRTJIO-QGZVFWFLSA-N 1 0 413.472 3.225 40 0 HGABRO CCOc1ccc(COC)cc1C[N@@H+]1CC[C@@H](c2ncncc2-c2noc(C)n2)C1 ZINC000019693722 569346590 /nfs/dbraw/zinc/34/65/90/569346590.db2.gz RBCMPYQBZXTBLN-QGZVFWFLSA-N 1 0 409.490 3.370 40 0 HGABRO CCc1ncc(C[N@@H+]2[C@H](Cc3ccc(OC)cc3)C[C@@H]3NC(=O)CCCC[C@H]32)cn1 ZINC000019713894 569348470 /nfs/dbraw/zinc/34/84/70/569348470.db2.gz TYSXZXRXCOZMST-BAGYTPMASA-N 1 0 408.546 3.292 40 0 HGABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857108 569352060 /nfs/dbraw/zinc/35/20/60/569352060.db2.gz BXLUAGFQRDOCEO-APWZRJJASA-N 1 0 418.534 3.319 40 0 HGABRO C[NH+](C)CCNc1nc(C2CC2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000329016879 571304500 /nfs/dbraw/zinc/30/45/00/571304500.db2.gz NJRULTUFHZJKDJ-UHFFFAOYSA-N 1 0 421.467 3.789 40 0 HGABRO CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](N(Cc2cccs2)Cc2cccs2)[C@@H]1O ZINC000077263760 291232559 /nfs/dbraw/zinc/23/25/59/291232559.db2.gz ROUHLVXVVUKOIE-GGPKGHCWSA-N 1 0 422.616 3.493 40 0 biogenic,in-vitro HGABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CCc4ccccc4)CCN3C(C)(C)C2)cc1 ZINC000253394183 291239803 /nfs/dbraw/zinc/23/98/03/291239803.db2.gz ASAAVQAKEYWUGZ-HSZRJFAPSA-N 1 0 421.585 3.435 40 0 biogenic,in-vitro HGABRO COc1ccccc1-c1cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccco2)n(C)n1 ZINC000012601973 291241030 /nfs/dbraw/zinc/24/10/30/291241030.db2.gz IMBDWOVZILGLCO-SCTDSRPQSA-N 1 0 420.513 3.297 40 0 biogenic,in-vitro HGABRO O=C(NC[C@H]1OC[C@@H]([NH+](Cc2ccccc2)Cc2ccccc2)[C@@H]1O)C1CCCC1 ZINC000077263656 291243036 /nfs/dbraw/zinc/24/30/36/291243036.db2.gz QHTSOTXAVYYMHH-SMIHKQSGSA-N 1 0 408.542 3.124 40 0 biogenic,in-vitro HGABRO O=C1CO[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000067897314 291244999 /nfs/dbraw/zinc/24/49/99/291244999.db2.gz UYTJGONLDYGKFG-MOPGFXCFSA-N 1 0 406.404 3.197 40 0 biogenic,in-vitro HGABRO CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(O)(c4ccccc4C)CC3)ccc21 ZINC000012291267 132357978 /nfs/dbraw/zinc/35/79/78/132357978.db2.gz FTTDSNGRVQEZMV-XMMPIXPASA-N 1 0 408.542 3.311 40 0 HGABRO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1NS(C)(=O)=O ZINC000044874603 524102644 /nfs/dbraw/zinc/10/26/44/524102644.db2.gz CCRZLWKNKBXOSN-UHFFFAOYSA-N 1 0 415.559 3.282 40 0 HGABRO C[C@H]1CCc2onc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c2C1 ZINC000020572078 524444056 /nfs/dbraw/zinc/44/40/56/524444056.db2.gz VTMIOKUMBAQCQL-INIZCTEOSA-N 1 0 416.953 3.395 40 0 HGABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857138 525068665 /nfs/dbraw/zinc/06/86/65/525068665.db2.gz SGPVUIMXCNGYDX-MRXNPFEDSA-N 1 0 418.534 3.319 40 0 HGABRO Cc1ccnn1[C@H](C)C(=O)NC1CC[NH+](Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000072390501 525776496 /nfs/dbraw/zinc/77/64/96/525776496.db2.gz YGQFGYNPSNYXEM-QGZVFWFLSA-N 1 0 424.524 3.073 40 0 HGABRO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1NS(C)(=O)=O ZINC000043523496 526184597 /nfs/dbraw/zinc/18/45/97/526184597.db2.gz YOUQWUPGWBLFOA-UHFFFAOYSA-N 1 0 415.559 3.282 40 0 HGABRO Cc1nc2n(c(=O)c1CC[NH+]1CCC(c3noc4cc(F)ccc43)CC1)CCCC2=O ZINC000044135896 527183262 /nfs/dbraw/zinc/18/32/62/527183262.db2.gz AUSFXKQDZJPCTA-UHFFFAOYSA-N 1 0 424.476 3.231 40 0 in-vitro HGABRO C[C@@]1(C(=O)Nc2ccccc2OCC[NH+]2CCCCCC2)CC(=O)N2C=CC=CC2=N1 ZINC000035316645 557691414 /nfs/dbraw/zinc/69/14/14/557691414.db2.gz UVDQMMYXCKWWSG-DEOSSOPVSA-N 1 0 422.529 3.353 40 0 HGABRO COc1cccc(C(=O)N2CC[C@@H](C(=O)Nc3ccccc3C[NH+]3CCCC3)C2)c1 ZINC000019750451 558270561 /nfs/dbraw/zinc/27/05/61/558270561.db2.gz WRCGGXJATNULFW-HXUWFJFHSA-N 1 0 407.514 3.392 40 0 HGABRO Cn1cc(C(=O)NCc2ccccc2)c(CC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000019759111 558275659 /nfs/dbraw/zinc/27/56/59/558275659.db2.gz BJLIOHJQSWBKNE-UHFFFAOYSA-N 1 0 403.530 3.200 40 0 HGABRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182714 558343630 /nfs/dbraw/zinc/34/36/30/558343630.db2.gz XUWNGOZYVZDLIU-VVWQDTPRSA-N 1 0 402.539 3.365 40 0 HGABRO Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]CCc3ccc4c(c3)OCO4)cc12 ZINC000012186187 558345412 /nfs/dbraw/zinc/34/54/12/558345412.db2.gz FPANEKGSLJLXHX-UHFFFAOYSA-N 1 0 420.444 3.222 40 0 HGABRO CCCn1nc(CC(=O)N2CCCC[C@H]2C[NH+]2CCCCC2)c2ccccc2c1=O ZINC000012238149 558358930 /nfs/dbraw/zinc/35/89/30/558358930.db2.gz BVOOQAGUBMAHTK-IBGZPJMESA-N 1 0 410.562 3.216 40 0 HGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000020460734 558372865 /nfs/dbraw/zinc/37/28/65/558372865.db2.gz NDUVQOXDRNPWJT-OAHLLOKOSA-N 1 0 401.960 3.096 40 0 HGABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1OC ZINC000012329668 558384288 /nfs/dbraw/zinc/38/42/88/558384288.db2.gz LVJYNKJPGVZBOW-RBUKOAKNSA-N 1 0 417.477 3.227 40 0 HGABRO CCOc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)cc1 ZINC000012329549 558384318 /nfs/dbraw/zinc/38/43/18/558384318.db2.gz KZNDCZVLIGJBAR-YADHBBJMSA-N 1 0 413.514 3.478 40 0 HGABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000020637010 558396459 /nfs/dbraw/zinc/39/64/59/558396459.db2.gz XSFXNOYACYLDOM-OALUTQOASA-N 1 0 411.889 3.105 40 0 HGABRO C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000035313664 558789967 /nfs/dbraw/zinc/78/99/67/558789967.db2.gz YGDBYGJITSLPBV-QZTJIDSGSA-N 1 0 407.580 3.453 40 0 HGABRO C[C@@H]1CCC[C@@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@@H]3C=C12 ZINC000036507692 558799916 /nfs/dbraw/zinc/79/99/16/558799916.db2.gz MQSZZIBOTGMDJA-ZGWDCZMSSA-N 1 0 412.530 3.352 40 0 HGABRO Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[N@H+]3CCC[C@@H](C)C3)CC1)N2 ZINC000019128710 558845008 /nfs/dbraw/zinc/84/50/08/558845008.db2.gz SCTCSRYJWGZAEK-FHLIZLRMSA-N 1 0 409.525 3.152 40 0 HGABRO Cc1cccc(C[N@H+]2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019235080 558854165 /nfs/dbraw/zinc/85/41/65/558854165.db2.gz WYQAUGZZCKQUCI-NHCUHLMSSA-N 1 0 407.562 3.125 40 0 HGABRO O=C(C[NH+]1CCCCC1)N1CCO[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000019293335 558865145 /nfs/dbraw/zinc/86/51/45/558865145.db2.gz JYBASJHBUHWNAU-MRXNPFEDSA-N 1 0 424.423 3.141 40 0 HGABRO O=C(c1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019337648 558870514 /nfs/dbraw/zinc/87/05/14/558870514.db2.gz NJWOHLZSGDYNHW-OAQYLSRUSA-N 1 0 421.545 3.223 40 0 HGABRO O=c1ccc(-c2cccs2)nn1CC1(O)C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC000019338766 558870905 /nfs/dbraw/zinc/87/09/05/558870905.db2.gz FNEZUJADYXQCOS-LIMIJEPZSA-N 1 0 422.554 3.315 40 0 HGABRO O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019400041 558882630 /nfs/dbraw/zinc/88/26/30/558882630.db2.gz UQOZCSYKHDNDFO-OAQYLSRUSA-N 1 0 421.545 3.493 40 0 HGABRO C[C@@H](CC(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1)n1cccn1 ZINC000019455456 558891742 /nfs/dbraw/zinc/89/17/42/558891742.db2.gz HWCARXAILVJCAH-KRWDZBQOSA-N 1 0 424.524 3.155 40 0 HGABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1C ZINC000019500314 558898496 /nfs/dbraw/zinc/89/84/96/558898496.db2.gz LQUUGRQEBAXURO-IBGZPJMESA-N 1 0 414.619 3.420 40 0 HGABRO CCC[C@H]1C[C@@](O)(Cn2cnc3c(c(C)c(C)n3Cc3ccccc3)c2=O)CC[NH2+]1 ZINC000019502087 558899905 /nfs/dbraw/zinc/89/99/05/558899905.db2.gz PBRXHBHONRNLGG-GBXCKJPGSA-N 1 0 408.546 3.146 40 0 HGABRO COc1cc2c(cc1C[NH+]1CCC(c3cc(=O)[nH]c(-c4ccncc4)n3)CC1)OCO2 ZINC000019550555 558915155 /nfs/dbraw/zinc/91/51/55/558915155.db2.gz UOFIWYIOQXVFRL-UHFFFAOYSA-N 1 0 420.469 3.361 40 0 HGABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 ZINC000019551511 558915659 /nfs/dbraw/zinc/91/56/59/558915659.db2.gz UIBLVSZDBWXBJT-RRQGHBQHSA-N 1 0 407.465 3.198 40 0 HGABRO COc1ccc(C[N@@H+]2C[C@@H](c3cc(F)ccc3F)[C@]3(C2)CCCC(=O)N3)cc1CO ZINC000019559370 558920691 /nfs/dbraw/zinc/92/06/91/558920691.db2.gz MZBFKYSJPUZTBQ-WMZHIEFXSA-N 1 0 416.468 3.104 40 0 HGABRO Cc1sc2nc(C)n(CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c(=O)c2c1C ZINC000019561257 558921997 /nfs/dbraw/zinc/92/19/97/558921997.db2.gz XSJBZKKFIGOZHA-UHFFFAOYSA-N 1 0 424.570 3.295 40 0 HGABRO COc1cc(C[N@@H+]2CCCC[C@H]3CN(C(=O)C4CCC4)C[C@H]32)cc(OC)c1OC ZINC000072330634 558935039 /nfs/dbraw/zinc/93/50/39/558935039.db2.gz ISEGNLLAELZSDT-RBUKOAKNSA-N 1 0 402.535 3.325 40 0 HGABRO C[NH+](C)C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019583329 558937823 /nfs/dbraw/zinc/93/78/23/558937823.db2.gz PMLMPTWKKQLIQR-QZTJIDSGSA-N 1 0 401.505 3.132 40 0 HGABRO C[NH+]1CCC(c2nc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)cc(=O)[nH]2)CC1 ZINC000019588194 558940074 /nfs/dbraw/zinc/94/00/74/558940074.db2.gz CMMSWGRFAWIFFU-GOSISDBHSA-N 1 0 412.509 3.079 40 0 HGABRO CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](Cc3cccs3)CC2)o1 ZINC000072344893 558941367 /nfs/dbraw/zinc/94/13/67/558941367.db2.gz BHCQGSOXEBPDOD-QGZVFWFLSA-N 1 0 424.592 3.387 40 0 HGABRO CNc1cc([C@@H]2CCC[N@H+](Cc3cccc(C)c3OC)C2)nc(CN(C)C(C)=O)n1 ZINC000072370152 558956351 /nfs/dbraw/zinc/95/63/51/558956351.db2.gz DJFPTVFICHQILE-GOSISDBHSA-N 1 0 411.550 3.193 40 0 HGABRO CNc1cc([C@@H]2CCC[N@H+](Cc3ccc(C)cc3OC)C2)nc(CN(C)C(C)=O)n1 ZINC000072370148 558956375 /nfs/dbraw/zinc/95/63/75/558956375.db2.gz OOQPRKRKEVORNU-GOSISDBHSA-N 1 0 411.550 3.193 40 0 HGABRO CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000019694867 558963520 /nfs/dbraw/zinc/96/35/20/558963520.db2.gz IRUZCZCJFFDFEU-QGZVFWFLSA-N 1 0 424.524 3.341 40 0 HGABRO CNC(=O)c1ccc(-c2ccc(CNC(=O)CC[N@@H+]3CCCC[C@H]3C)cc2)nc1C ZINC000019700570 558966970 /nfs/dbraw/zinc/96/69/70/558966970.db2.gz XPNNHKXBIBMHFG-QGZVFWFLSA-N 1 0 408.546 3.297 40 0 HGABRO Cc1cccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)c1 ZINC000072394718 558973623 /nfs/dbraw/zinc/97/36/23/558973623.db2.gz IBKPXISGUJYBEX-RPWUZVMVSA-N 1 0 421.585 3.353 40 0 HGABRO Cc1nn(C)c(C)c1NC(=O)CC[N@@H+]1CCC[C@@H](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019716001 558977552 /nfs/dbraw/zinc/97/75/52/558977552.db2.gz GWLAPOYRETUPDP-INIZCTEOSA-N 1 0 412.513 3.336 40 0 HGABRO COc1ccc(-c2ccnc3c(C(=O)N4CCC[C@@H]([NH+]5CCCC5)C4)cnn32)cc1 ZINC000019719043 558982697 /nfs/dbraw/zinc/98/26/97/558982697.db2.gz BZVWREPYKBMHFH-GOSISDBHSA-N 1 0 405.502 3.105 40 0 HGABRO COc1ccc(-c2ccnc3c(C(=O)N4CCC[C@H]([NH+]5CCCC5)C4)cnn32)cc1 ZINC000019719044 558982715 /nfs/dbraw/zinc/98/27/15/558982715.db2.gz BZVWREPYKBMHFH-SFHVURJKSA-N 1 0 405.502 3.105 40 0 HGABRO COCC[N@@H+]1CCC[C@@]12CCCN(C(=O)CCc1ccc(OC)cc1OC)CC2 ZINC000585100620 559024109 /nfs/dbraw/zinc/02/41/09/559024109.db2.gz QHDQMAKRKQTQSH-HSZRJFAPSA-N 1 0 404.551 3.130 40 0 HGABRO COc1ncc(C[N@@H+]2C[C@@H](C(=O)NCCC(C)(C)C)C3(C2)CCOCC3)cc1C ZINC000585102024 559025248 /nfs/dbraw/zinc/02/52/48/559025248.db2.gz ZJHQRRMWNKYANA-IBGZPJMESA-N 1 0 403.567 3.180 40 0 HGABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@H+]3CCC[C@@H](C)C3)C2)CC1 ZINC000585103136 559026393 /nfs/dbraw/zinc/02/63/93/559026393.db2.gz DNEQXRQMXJZJHX-QUCCMNQESA-N 1 0 406.592 3.287 40 0 HGABRO CCN1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096037018 559090786 /nfs/dbraw/zinc/09/07/86/559090786.db2.gz KUVILDOUGOWBMR-UHFFFAOYSA-N 1 0 410.591 3.480 40 0 HGABRO O=C(NCCc1ccccc1)c1ccc2ccc(N3CC[NH+](CC4CC4)CC3)n2c1 ZINC000096155922 559100082 /nfs/dbraw/zinc/10/00/82/559100082.db2.gz VLUWSJJTSMICOF-UHFFFAOYSA-N 1 0 402.542 3.444 40 0 HGABRO CN(C)c1cccc(C(=O)N2CCC3(C[C@@H]([N@H+](C)Cc4cccnc4)CO3)CC2)c1 ZINC000096220869 559101970 /nfs/dbraw/zinc/10/19/70/559101970.db2.gz DBDLCKHMGHUSDD-JOCHJYFZSA-N 1 0 408.546 3.043 40 0 HGABRO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)n2)n1 ZINC000585292973 559125445 /nfs/dbraw/zinc/12/54/45/559125445.db2.gz VBGJHRAKXXTUQE-XSFOEPMVSA-N 1 0 409.538 3.107 40 0 HGABRO [NH3+][C@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cnccn3)n2)CC1)c1ccccc1 ZINC000100708850 559138214 /nfs/dbraw/zinc/13/82/14/559138214.db2.gz UYJWXRUVRXCYAF-FVJLSDCUSA-N 1 0 417.517 3.100 40 0 HGABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](CC(=O)NCc3cccc(F)c3)CC2)cc1 ZINC000257334548 559283276 /nfs/dbraw/zinc/28/32/76/559283276.db2.gz YGJUHAADGLMPOA-QHCPKHFHSA-N 1 0 400.494 3.046 40 0 HGABRO O[C@]1(C[NH+]2CCC(F)(F)CC2)CCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000257286416 559285507 /nfs/dbraw/zinc/28/55/07/559285507.db2.gz PLNKAFXSKHBSND-QFIPXVFZSA-N 1 0 417.500 3.329 40 0 HGABRO Cn1ccc2cc(C(=O)N3CC4(C3)CC[C@H](C[N@H+](C)Cc3cccnc3)CO4)ccc21 ZINC000575403000 560546844 /nfs/dbraw/zinc/54/68/44/560546844.db2.gz FLYJQPHVVCYKDK-HXUWFJFHSA-N 1 0 418.541 3.327 40 0 HGABRO CCOc1cc(NC(=S)NCCC[NH+](C)C)c(OCC)cc1NC(=O)C1CC1 ZINC000004127341 560599116 /nfs/dbraw/zinc/59/91/16/560599116.db2.gz RDIDVTHGHATIAC-UHFFFAOYSA-N 1 0 408.568 3.071 40 0 HGABRO C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccncc2)n1CCC[NH+](C)C ZINC000004130375 560599638 /nfs/dbraw/zinc/59/96/38/560599638.db2.gz RBTROSDHSMXYNG-SJLPKXTDSA-N 1 0 416.595 3.079 40 0 HGABRO Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409051836 560670184 /nfs/dbraw/zinc/67/01/84/560670184.db2.gz BUUYJMCNORFJNI-WAUWHALJSA-O 1 0 416.476 3.459 40 0 HGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409057899 560670680 /nfs/dbraw/zinc/67/06/80/560670680.db2.gz MTRKSCGQRZOFPK-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000409053635 560671171 /nfs/dbraw/zinc/67/11/71/560671171.db2.gz GPLCAAAEVGAVON-IQUGWNQFSA-O 1 0 422.867 3.495 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000409054748 560671331 /nfs/dbraw/zinc/67/13/31/560671331.db2.gz BHBCFOGLJUCSFE-IQUGWNQFSA-O 1 0 422.867 3.495 40 0 HGABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409071073 560673270 /nfs/dbraw/zinc/67/32/70/560673270.db2.gz OHFARTPJQPCRIF-VNGKGULCSA-O 1 0 416.476 3.459 40 0 HGABRO O=C(CN1Cc2ccccc2C1=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000409415250 560723635 /nfs/dbraw/zinc/72/36/35/560723635.db2.gz YANKGUFDQNGLKJ-ADGBJGEGSA-N 1 0 405.542 3.064 40 0 HGABRO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007365371 560750526 /nfs/dbraw/zinc/75/05/26/560750526.db2.gz FFZSXKLOWFUIMU-UHFFFAOYSA-N 1 0 416.485 3.243 40 0 HGABRO CCOCCC[NH2+]Cc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 ZINC000007540377 560751630 /nfs/dbraw/zinc/75/16/30/560751630.db2.gz FKWPUDDWBCSWBJ-UHFFFAOYSA-N 1 0 411.506 3.075 40 0 HGABRO O=C(NCCC[NH+]1CCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000010450147 560769801 /nfs/dbraw/zinc/76/98/01/560769801.db2.gz CDUGDPJDNXAUNM-QFIPXVFZSA-N 1 0 413.543 3.270 40 0 HGABRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010540960 560769956 /nfs/dbraw/zinc/76/99/56/560769956.db2.gz AJLNXTDAGHUQMY-UHFFFAOYSA-N 1 0 421.607 3.021 40 0 HGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000260561282 560789367 /nfs/dbraw/zinc/78/93/67/560789367.db2.gz BJPFERNUBDOHBV-IBGZPJMESA-N 1 0 407.580 3.001 40 0 HGABRO C[C@@H](O)C[NH2+]CCNCc1cc(Br)ccc1OCc1ccccc1F ZINC000022075573 568473908 /nfs/dbraw/zinc/47/39/08/568473908.db2.gz RZRBAHQZIVMCLK-CQSZACIVSA-N 1 0 411.315 3.227 40 0 HGABRO C[C@@H]1C[C@@H](OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)CC(C)(C)C1 ZINC000022912784 568500505 /nfs/dbraw/zinc/50/05/05/568500505.db2.gz DTSWGECSRZRXQY-HLAWJBBLSA-N 1 0 418.578 3.125 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 ZINC000223212566 568541211 /nfs/dbraw/zinc/54/12/11/568541211.db2.gz JNNWRZLVDBMYOS-RTWAWAEBSA-N 1 0 406.559 3.192 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000223240597 568542342 /nfs/dbraw/zinc/54/23/42/568542342.db2.gz UIMDSFULHUEBFI-FCHUYYIVSA-N 1 0 420.586 3.251 40 0 HGABRO COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223259603 568543064 /nfs/dbraw/zinc/54/30/64/568543064.db2.gz OWLCDXYZENVUOK-VXKWHMMOSA-N 1 0 421.570 3.415 40 0 HGABRO CCc1cc(S(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1OC ZINC000223712016 568557092 /nfs/dbraw/zinc/55/70/92/568557092.db2.gz RHWAVNVHHKWDIG-UHFFFAOYSA-N 1 0 418.559 3.209 40 0 HGABRO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1NS(C)(=O)=O ZINC000224826413 568598648 /nfs/dbraw/zinc/59/86/48/568598648.db2.gz YPDDJQRKXLOYTR-UHFFFAOYSA-N 1 0 415.559 3.282 40 0 HGABRO Cc1cccc(N(CCCC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)c1C ZINC000224951997 568605490 /nfs/dbraw/zinc/60/54/90/568605490.db2.gz ZPCBUUJXVYCXKX-UHFFFAOYSA-N 1 0 423.623 3.232 40 0 HGABRO COc1cc2c(cc1S(=O)(=O)NCCC[N@@H+]1CCc3ccccc3C1)CCCC2 ZINC000225230079 568624790 /nfs/dbraw/zinc/62/47/90/568624790.db2.gz DUBPKWRDZREKJY-UHFFFAOYSA-N 1 0 414.571 3.301 40 0 HGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000225582169 568654102 /nfs/dbraw/zinc/65/41/02/568654102.db2.gz VZLBWVKGCRGUDY-QGZVFWFLSA-N 1 0 412.625 3.023 40 0 HGABRO C/C=C/c1ccc(OC[C@@H](O)C[NH2+]C[C@@H](c2ccc(OC)cc2)N(C)C)c(OC)c1 ZINC000096311027 568724734 /nfs/dbraw/zinc/72/47/34/568724734.db2.gz YSQGJSKNXKXPMX-RGVSTGCNSA-N 1 0 414.546 3.369 40 0 HGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000260841205 568741749 /nfs/dbraw/zinc/74/17/49/568741749.db2.gz KOEUNTSXNAIACR-FQEVSTJZSA-N 1 0 423.623 3.312 40 0 HGABRO C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)CN4CCCC4=O)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257255896 568791969 /nfs/dbraw/zinc/79/19/69/568791969.db2.gz KJIVDQFCKQLZJH-CZLVRFMKSA-N 1 0 409.574 3.084 40 0 HGABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)cc1 ZINC000257273819 568796697 /nfs/dbraw/zinc/79/66/97/568796697.db2.gz NIJANKKIDCLYMT-HSZRJFAPSA-N 1 0 414.550 3.031 40 0 HGABRO O=C(C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cnccn1)Nc1ccnn1C1CCCC1 ZINC000257279645 568798259 /nfs/dbraw/zinc/79/82/59/568798259.db2.gz OHNYZDACXSMYKX-DBXWQHBBSA-N 1 0 408.550 3.318 40 0 HGABRO CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)C[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000257284201 568799828 /nfs/dbraw/zinc/79/98/28/568799828.db2.gz PBSKAAWHYGMNLM-UHFFFAOYSA-N 1 0 423.561 3.268 40 0 HGABRO Cc1ccc(Oc2c(F)cccc2O[C@@H]2CCC[C@@H]([N@H+](C)CC(N)=O)[C@H]2O)cc1 ZINC000257309250 568807130 /nfs/dbraw/zinc/80/71/30/568807130.db2.gz UAFJJXAMZIPTKF-DBXWQHBBSA-N 1 0 402.466 3.004 40 0 HGABRO CCN(CC)S(=O)(=O)N1CCC(c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)CC1 ZINC000257320921 568810719 /nfs/dbraw/zinc/81/07/19/568810719.db2.gz VZHKOBBYEFNQPW-UHFFFAOYSA-N 1 0 421.542 3.434 40 0 HGABRO O=C(CCC[NH+]1CCCCCC1)N1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257335160 568814649 /nfs/dbraw/zinc/81/46/49/568814649.db2.gz YIXVKYDQQGRCAN-HXUWFJFHSA-N 1 0 424.549 3.171 40 0 HGABRO COc1ncccc1C[NH+]1CCC(n2cnc3ncc(-c4cccnc4)nc32)CC1 ZINC000306123485 568886512 /nfs/dbraw/zinc/88/65/12/568886512.db2.gz AORAJCLQJWXOCF-UHFFFAOYSA-N 1 0 401.474 3.129 40 0 HGABRO COc1ccc(-c2ccc3c([C@H]4CN(Cc5ccncc5)CCO4)nnn3c2)cc1 ZINC000306124279 568887276 /nfs/dbraw/zinc/88/72/76/568887276.db2.gz BLMSVKBLXAFTIB-JOCHJYFZSA-N 1 0 401.470 3.373 40 0 HGABRO COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)c1 ZINC000306126193 568888931 /nfs/dbraw/zinc/88/89/31/568888931.db2.gz DPESYCFYQLYJHI-LEWJYISDSA-N 1 0 408.527 3.343 40 0 HGABRO O=C1N(Cc2ccc(F)cc2)CCO[C@]12C[N@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306127039 568889837 /nfs/dbraw/zinc/88/98/37/568889837.db2.gz FMEVUBULSOEPEA-UPVQGACJSA-N 1 0 421.472 3.211 40 0 HGABRO Cc1cc(C)cc(C[N@@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)c1 ZINC000306127647 568890492 /nfs/dbraw/zinc/89/04/92/568890492.db2.gz GEBFPOKBYIOBEZ-ILBGXUMGSA-N 1 0 405.542 3.305 40 0 HGABRO CC(C)NC(=O)NC[C@H]1N(C(=O)c2cccc(Cl)c2)CCCC12CC[NH+](C)CC2 ZINC000306128259 568891241 /nfs/dbraw/zinc/89/12/41/568891241.db2.gz GVMPQGUMMBJRBK-LJQANCHMSA-N 1 0 420.985 3.364 40 0 HGABRO Cc1cc(C)cc(C[NH+]2CCN(c3nccn4c(-c5cnn(C)c5)cnc34)CC2)c1 ZINC000306136970 568898916 /nfs/dbraw/zinc/89/89/16/568898916.db2.gz QHWWHUMMWBZZNA-UHFFFAOYSA-N 1 0 401.518 3.069 40 0 HGABRO O=C(c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002776931 568932136 /nfs/dbraw/zinc/93/21/36/568932136.db2.gz RLXRTJOGRSMXIS-OAHLLOKOSA-N 1 0 415.419 3.393 40 0 HGABRO C[NH+](C)CCNc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328966874 568970226 /nfs/dbraw/zinc/97/02/26/568970226.db2.gz CONOBOCLJHKPIS-UHFFFAOYSA-N 1 0 421.423 3.065 40 0 HGABRO Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2cccnc2)nc(NCC[NH+](C)C)n1 ZINC000329013112 568972595 /nfs/dbraw/zinc/97/25/95/568972595.db2.gz MOVYDYZJZGYORZ-UHFFFAOYSA-N 1 0 416.451 3.427 40 0 HGABRO Cc1ccc(Nc2cc(-c3ccccn3)nc(NCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329016816 568972792 /nfs/dbraw/zinc/97/27/92/568972792.db2.gz NHVNGQJQXHPNEI-UHFFFAOYSA-N 1 0 416.451 3.427 40 0 HGABRO Cc1c(Br)cccc1Nc1cc(C(F)(F)F)nc(NCC[NH+](C)C)n1 ZINC000329017985 568972879 /nfs/dbraw/zinc/97/28/79/568972879.db2.gz NOLIOPNYHUIUDG-UHFFFAOYSA-N 1 0 418.261 3.127 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329030674 568973725 /nfs/dbraw/zinc/97/37/25/568973725.db2.gz QEPFBMAWOUYBFS-UHFFFAOYSA-N 1 0 420.414 3.257 40 0 HGABRO C[N@@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC000248113158 569316238 /nfs/dbraw/zinc/31/62/38/569316238.db2.gz IBLPGNRRSLZDQO-NQIIRXRSSA-N 1 0 410.493 3.032 40 0 HGABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc(C(=O)OC)c1 ZINC000009062971 569342216 /nfs/dbraw/zinc/34/22/16/569342216.db2.gz NHDKAMIYGKGBIN-UHFFFAOYSA-N 1 0 424.497 3.419 40 0 HGABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000019694742 569346621 /nfs/dbraw/zinc/34/66/21/569346621.db2.gz WFDUVGJFNHQQHM-NRFANRHFSA-N 1 0 415.541 3.341 40 0 HGABRO Nc1nc(C2CC[NH+](CC3=CCCOC3)CC2)ccc1C(=O)NCc1ccccc1F ZINC000019765756 569349030 /nfs/dbraw/zinc/34/90/30/569349030.db2.gz IPTVLZFDMCHPQH-UHFFFAOYSA-N 1 0 424.520 3.259 40 0 HGABRO CN(c1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1)S(=O)(=O)c1cccs1 ZINC000026114163 569349895 /nfs/dbraw/zinc/34/98/95/569349895.db2.gz HAADIRHESJTWDF-UHFFFAOYSA-N 1 0 421.588 3.179 40 0 HGABRO Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000252516541 569388086 /nfs/dbraw/zinc/38/80/86/569388086.db2.gz TZNSCRNWRYDTDD-XQBPLPMBSA-N 1 0 416.543 3.157 40 0 HGABRO CC(C)c1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NCCCO)[nH+]1 ZINC000329055957 571306405 /nfs/dbraw/zinc/30/64/05/571306405.db2.gz VPXBKPXDSYCHNN-UHFFFAOYSA-N 1 0 410.440 3.856 40 0 HGABRO COc1ccc2c3c1O[C@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@](C)(C(C)(C)O)C2 ZINC000096316434 291240816 /nfs/dbraw/zinc/24/08/16/291240816.db2.gz AKBVQTSSRCUQMV-NRRIHCQJSA-N 1 0 411.542 3.077 40 0 biogenic,in-vitro HGABRO COc1ccccc1-c1cn2c(n1)CO[C@@H](C[NH2+]Cc1ccc(NC(C)=O)cc1)C2 ZINC000096296299 291241037 /nfs/dbraw/zinc/24/10/37/291241037.db2.gz BWLPBMLEODEEDH-IBGZPJMESA-N 1 0 406.486 3.206 40 0 biogenic,in-vitro HGABRO CC1(C)CC(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)CC(C)(C)[NH2+]1 ZINC000032603931 520288065 /nfs/dbraw/zinc/28/80/65/520288065.db2.gz VYCYNCJPXCHHCM-UHFFFAOYSA-N 1 0 411.554 3.173 40 0 HGABRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)NC(=O)/C=C/c1ccccc1)c1cccc(OC)c1 ZINC000032753485 520837743 /nfs/dbraw/zinc/83/77/43/520837743.db2.gz JBXPZGMKSLMVHU-FKTWDOJWSA-N 1 0 423.557 3.412 40 0 HGABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857139 524911225 /nfs/dbraw/zinc/91/12/25/524911225.db2.gz QJTKAZGIMYVMKF-INIZCTEOSA-N 1 0 418.534 3.319 40 0 HGABRO CN(C)c1ccc(C(=O)CCC[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000001688516 557280825 /nfs/dbraw/zinc/28/08/25/557280825.db2.gz ANJCAQHRFDMAEC-UHFFFAOYSA-N 1 0 420.557 3.144 40 0 HGABRO C[NH+]1CCN(c2cc3[nH]c(=O)[nH]c3cc2NC(=O)Cc2cccc3ccccc32)CC1 ZINC000408527162 557289360 /nfs/dbraw/zinc/28/93/60/557289360.db2.gz CWLLORZSOXTJJQ-UHFFFAOYSA-N 1 0 415.497 3.355 40 0 HGABRO COc1ccc(-c2ccnc3cc(C(=O)NCC(C)(C)[NH+]4CCCCC4)nn32)cc1 ZINC000035316665 557691457 /nfs/dbraw/zinc/69/14/57/557691457.db2.gz MTWIKJYSHMANMU-UHFFFAOYSA-N 1 0 407.518 3.399 40 0 HGABRO Cc1nn(C)cc1C[NH+]1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(F)cc2)CC1 ZINC000019756361 558274447 /nfs/dbraw/zinc/27/44/47/558274447.db2.gz OMAGJSMNEOAIIP-UHFFFAOYSA-N 1 0 424.524 3.308 40 0 HGABRO Cc1nc([C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019765851 558278340 /nfs/dbraw/zinc/27/83/40/558278340.db2.gz XRDQDRSKENOXLH-HXUWFJFHSA-N 1 0 407.518 3.043 40 0 HGABRO CCOC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000012156684 558340554 /nfs/dbraw/zinc/34/05/54/558340554.db2.gz BDJJGWUCPMHXPT-PXNSSMCTSA-N 1 0 418.509 3.391 40 0 HGABRO C[NH+](C)CC(C)(C)CNC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 ZINC000012156895 558340714 /nfs/dbraw/zinc/34/07/14/558340714.db2.gz DREGAQBMOZYUKD-LJQANCHMSA-N 1 0 419.541 3.210 40 0 HGABRO Cc1ccc(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)s1 ZINC000012186609 558345661 /nfs/dbraw/zinc/34/56/61/558345661.db2.gz OUSCCNHLCSACDG-UHFFFAOYSA-N 1 0 401.557 3.369 40 0 HGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)CCO4)CC1)C[C@H]2O ZINC000012329302 558384037 /nfs/dbraw/zinc/38/40/37/558384037.db2.gz YUPQQSBWLXTTIU-NHCUHLMSSA-N 1 0 411.498 3.014 40 0 HGABRO Fc1ccc(OCC[NH+]2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 ZINC000012407927 558398959 /nfs/dbraw/zinc/39/89/59/558398959.db2.gz WWUHBIKGXQOWMU-DLBZAZTESA-N 1 0 413.419 3.496 40 0 HGABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000013670366 558561916 /nfs/dbraw/zinc/56/19/16/558561916.db2.gz ZZQCCSMSMHAWCG-UHFFFAOYSA-N 1 0 415.559 3.483 40 0 HGABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc(C(=O)OC)c1 ZINC000039752383 558687122 /nfs/dbraw/zinc/68/71/22/558687122.db2.gz APDWUDWWCMHKRS-UHFFFAOYSA-N 1 0 424.497 3.419 40 0 HGABRO COCCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@H]3C2)ccc1OC ZINC000072389833 558808967 /nfs/dbraw/zinc/80/89/67/558808967.db2.gz DZLJSQKFHYZXBA-SKPFHBQLSA-N 1 0 412.530 3.153 40 0 HGABRO CC(C)(C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019082361 558839999 /nfs/dbraw/zinc/83/99/99/558839999.db2.gz HPZVFIVUJOWLKF-GOSISDBHSA-N 1 0 414.594 3.044 40 0 HGABRO Cc1cc(-c2cnc(N3CCCC3)nc2C2CC[NH+](Cc3cnc(C)n3C)CC2)on1 ZINC000019123280 558844043 /nfs/dbraw/zinc/84/40/43/558844043.db2.gz OXAYQWPOOKUULM-UHFFFAOYSA-N 1 0 421.549 3.462 40 0 HGABRO Cc1ccc([C@@H](NC(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)c2ccncc2)cc1C ZINC000019213513 558849300 /nfs/dbraw/zinc/84/93/00/558849300.db2.gz KLXJHJNOELDXIP-UPVQGACJSA-N 1 0 420.557 3.037 40 0 HGABRO Cc1ccc2c(c1)C(=O)N(CC(=O)N1[C@@H](C)CCC[C@@H]1C)CC1(CC[NH+](C)CC1)O2 ZINC000019218473 558851128 /nfs/dbraw/zinc/85/11/28/558851128.db2.gz SHTBAZSEAGKXML-OALUTQOASA-N 1 0 413.562 3.084 40 0 HGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)C3CCC3)[nH]c(=O)c2C1 ZINC000019238662 558857380 /nfs/dbraw/zinc/85/73/80/558857380.db2.gz MZERMQURYIAMIX-SFHVURJKSA-N 1 0 412.559 3.162 40 0 HGABRO Cn1c2ccc(C[NH+]3CCC(O)(c4ccc(C(F)(F)F)cc4)CC3)cc2n(C)c1=O ZINC000019289793 558862324 /nfs/dbraw/zinc/86/23/24/558862324.db2.gz ISTHBZOGLLCQFN-UHFFFAOYSA-N 1 0 419.447 3.379 40 0 HGABRO Cn1cc(C[NH+]2CCC([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)CC2)cn1 ZINC000019290647 558862972 /nfs/dbraw/zinc/86/29/72/558862972.db2.gz ZJENLBLFPAZOOI-JOCHJYFZSA-N 1 0 407.493 3.338 40 0 HGABRO O=C(C1CC1)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccc(F)cc4)CC3)ccc21 ZINC000019335377 558869749 /nfs/dbraw/zinc/86/97/49/558869749.db2.gz KUWZSAMMJLDNLN-XMMPIXPASA-N 1 0 423.532 3.371 40 0 HGABRO O=C(c1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019337596 558870547 /nfs/dbraw/zinc/87/05/47/558870547.db2.gz UXTWBYYHJOAFPQ-HXUWFJFHSA-N 1 0 407.518 3.245 40 0 HGABRO O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+]3C3CCCCC3)[nH]c(=O)c2C1 ZINC000019342821 558872216 /nfs/dbraw/zinc/87/22/16/558872216.db2.gz PTDQZZYKYTZHSZ-SFHVURJKSA-N 1 0 412.559 3.500 40 0 HGABRO O=C(c1cccnc1)N1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019375586 558881675 /nfs/dbraw/zinc/88/16/75/558881675.db2.gz YLSXNHPAQAMFNU-UHFFFAOYSA-N 1 0 407.514 3.130 40 0 HGABRO O=C(c1ccncc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019404848 558884615 /nfs/dbraw/zinc/88/46/15/558884615.db2.gz GXQNUPWCNVUXDK-OAQYLSRUSA-N 1 0 421.545 3.081 40 0 HGABRO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019453310 558890709 /nfs/dbraw/zinc/89/07/09/558890709.db2.gz OWKPEQUVPFILAY-NHCUHLMSSA-N 1 0 407.562 3.162 40 0 HGABRO COc1ccccc1C[NH+]1CCC(c2n[nH]cc2C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000019497346 558896482 /nfs/dbraw/zinc/89/64/82/558896482.db2.gz DBYOCWTVEMLRTR-CALCHBBNSA-N 1 0 412.534 3.047 40 0 HGABRO CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccc(CC)cc4)C3)[nH]c(=O)c2C1 ZINC000019501587 558899629 /nfs/dbraw/zinc/89/96/29/558899629.db2.gz IIYNSSCRFDIYBE-FQEVSTJZSA-N 1 0 422.573 3.397 40 0 HGABRO CCc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019522874 558904134 /nfs/dbraw/zinc/90/41/34/558904134.db2.gz JOOGOVVGVOVCHQ-HXUWFJFHSA-N 1 0 420.557 3.007 40 0 HGABRO CCOc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000019532937 558912878 /nfs/dbraw/zinc/91/28/78/558912878.db2.gz RVDLXTIURWTWEA-OAQYLSRUSA-N 1 0 424.545 3.254 40 0 HGABRO COc1cccc(CNC(=O)c2cc([C@H]3CCC[N@H+](Cc4cnn(C)c4C)C3)no2)c1 ZINC000019553699 558916783 /nfs/dbraw/zinc/91/67/83/558916783.db2.gz ZBFDUMZCRGZRER-SFHVURJKSA-N 1 0 423.517 3.035 40 0 HGABRO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000019557861 558919826 /nfs/dbraw/zinc/91/98/26/558919826.db2.gz JFLVYRGXIQRQKJ-KNQAVFIVSA-N 1 0 412.440 3.473 40 0 HGABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c1OC ZINC000019567786 558926989 /nfs/dbraw/zinc/92/69/89/558926989.db2.gz CKVUKASEEAUBQC-ZDUSSCGKSA-N 1 0 403.433 3.459 40 0 HGABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000019591352 558941852 /nfs/dbraw/zinc/94/18/52/558941852.db2.gz XFZFXKAKNNQKLP-XMMPIXPASA-N 1 0 401.514 3.110 40 0 HGABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)CC1 ZINC000072346256 558943139 /nfs/dbraw/zinc/94/31/39/558943139.db2.gz QGIRHCUPKPDXSA-KRWDZBQOSA-N 1 0 413.953 3.427 40 0 HGABRO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000072359212 558954974 /nfs/dbraw/zinc/95/49/74/558954974.db2.gz FWVRJNWWLNYOLN-FQEVSTJZSA-N 1 0 421.545 3.150 40 0 HGABRO O=C(C[N@H+]1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1)N1CCC1 ZINC000072371752 558958960 /nfs/dbraw/zinc/95/89/60/558958960.db2.gz JAJRHZXEZKNVOL-HNNXBMFYSA-N 1 0 422.451 3.072 40 0 HGABRO CCCn1cc(C[N@@H+]2C[C@H](NC(=O)CC)[C@@H](c3cn(C)c4ccc(OC)cc34)C2)cn1 ZINC000072395730 558974768 /nfs/dbraw/zinc/97/47/68/558974768.db2.gz NOYHQELHIVVRKP-YADHBBJMSA-N 1 0 423.561 3.288 40 0 HGABRO COc1ccccc1C[NH+]1CCC(C(=O)Nc2nc(-c3nonc3C)cs2)CC1 ZINC000019717585 558980514 /nfs/dbraw/zinc/98/05/14/558980514.db2.gz KKEQFYBLLSQVMS-UHFFFAOYSA-N 1 0 413.503 3.361 40 0 HGABRO Cc1ccc2ncc(C[NH+]3CCC4(CC(NS(=O)(=O)c5ccccc5)C4)CC3)n2c1 ZINC000585103017 559026378 /nfs/dbraw/zinc/02/63/78/559026378.db2.gz KXVIGNJSHAKWIC-UHFFFAOYSA-N 1 0 424.570 3.366 40 0 HGABRO Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](C[N@@H+](C)Cc4cccnc4)C3)CC2)s1 ZINC000585104784 559027366 /nfs/dbraw/zinc/02/73/66/559027366.db2.gz SKXVWTRMGJWALI-LJQANCHMSA-N 1 0 414.575 3.298 40 0 HGABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)C2(c3ccc(C)cc3)CC2)CC1 ZINC000585106197 559028546 /nfs/dbraw/zinc/02/85/46/559028546.db2.gz BNAUKOGZFBJDKF-NNWRFLSQSA-N 1 0 423.601 3.254 40 0 HGABRO C[C@H](C[N@@H+]1C[C@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@@H]21)c1ccccc1 ZINC000585108036 559029910 /nfs/dbraw/zinc/02/99/10/559029910.db2.gz XKSOIVWCAUSGSI-KUDFPVQQSA-N 1 0 406.498 3.463 40 0 HGABRO CN1CCN(C(=O)C[C@H]2CC3(CC[NH+](Cc4ccco4)CC3)c3ccccc32)CC1 ZINC000096052922 559092725 /nfs/dbraw/zinc/09/27/25/559092725.db2.gz QQYAQVRSHMAXRI-FQEVSTJZSA-N 1 0 407.558 3.465 40 0 HGABRO CN1CCN(C(=O)C[C@H]2CC3(CC[NH+](Cc4ccoc4)CC3)c3ccccc32)CC1 ZINC000096052926 559092795 /nfs/dbraw/zinc/09/27/95/559092795.db2.gz UUIFXWNEIAITLX-NRFANRHFSA-N 1 0 407.558 3.465 40 0 HGABRO Cc1cccc(NC(=O)N2CCC3(C[N@@H+](CC(C)C)C[C@@]34CCN(C)C4=O)CC2)c1 ZINC000096144213 559096530 /nfs/dbraw/zinc/09/65/30/559096530.db2.gz LJVFBUFUTVNVIH-XMMPIXPASA-N 1 0 412.578 3.429 40 0 HGABRO CSCC[C@H]([NH3+])C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1 ZINC000585263568 559111964 /nfs/dbraw/zinc/11/19/64/559111964.db2.gz QCJSWBMQUZEOSB-HNNXBMFYSA-N 1 0 420.608 3.080 40 0 HGABRO O[C@@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCCn3cccn3)c2)C1 ZINC000585271519 559115865 /nfs/dbraw/zinc/11/58/65/559115865.db2.gz AIMJEYQEHINWBN-DEOSSOPVSA-N 1 0 407.514 3.368 40 0 HGABRO CC(=O)N1CCC([NH+]2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000585281706 559119415 /nfs/dbraw/zinc/11/94/15/559119415.db2.gz PPZBFDCVQDUMPS-UHFFFAOYSA-N 1 0 401.334 3.210 40 0 HGABRO CCCCc1ccc(C[NH2+]C[C@]2(O)CN(C(=O)CCc3ccccc3)CC[C@H]2O)cc1 ZINC000585286760 559122048 /nfs/dbraw/zinc/12/20/48/559122048.db2.gz URQFKURDXOPPQE-RSXGOPAZSA-N 1 0 424.585 3.076 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2Cl)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409059904 560671074 /nfs/dbraw/zinc/67/10/74/560671074.db2.gz YKNAWCUOBNXHSF-IQUGWNQFSA-O 1 0 422.867 3.495 40 0 HGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409055335 560671567 /nfs/dbraw/zinc/67/15/67/560671567.db2.gz DVIADEMLQWEBPA-HFXBMHRVSA-O 1 0 414.485 3.020 40 0 HGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000409061018 560672804 /nfs/dbraw/zinc/67/28/04/560672804.db2.gz BMOJUHRJCJKIAF-IQUGWNQFSA-O 1 0 422.867 3.495 40 0 HGABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409071071 560673290 /nfs/dbraw/zinc/67/32/90/560673290.db2.gz OHFARTPJQPCRIF-LMOLPZMTSA-O 1 0 416.476 3.459 40 0 HGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 ZINC000260561337 560789393 /nfs/dbraw/zinc/78/93/93/560789393.db2.gz BXDSIDKIGYAAFQ-FQEVSTJZSA-N 1 0 421.607 3.309 40 0 HGABRO CC(C)(C)n1ccc(C[NH+]2CCC3(CC2)CN(C(=O)c2cccs2)NC(=O)O3)c1 ZINC000014001520 560837311 /nfs/dbraw/zinc/83/73/11/560837311.db2.gz STNLBJLSOPPLAQ-UHFFFAOYSA-N 1 0 416.547 3.436 40 0 HGABRO COc1ccc(O)cc1OCC[NH2+]C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000002526389 560861611 /nfs/dbraw/zinc/86/16/11/560861611.db2.gz PVUVZUBTCLBJMT-QGZVFWFLSA-N 1 0 422.481 3.444 40 0 endogenous,world HGABRO C/C=C/C(=O)NC(=S)Nc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000005382348 568443430 /nfs/dbraw/zinc/44/34/30/568443430.db2.gz YOFAPUFLMRDWOE-NQXWNHLPSA-N 1 0 415.559 3.497 40 0 HGABRO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1OCC(N)=O ZINC000022074287 568473808 /nfs/dbraw/zinc/47/38/08/568473808.db2.gz XBVVOWSNEXKUFF-UHFFFAOYSA-N 1 0 407.308 3.044 40 0 HGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022456927 568486372 /nfs/dbraw/zinc/48/63/72/568486372.db2.gz WRMKBSBJQCLVBI-LFBVJSBHSA-N 1 0 424.585 3.089 40 0 HGABRO C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000223218627 568541355 /nfs/dbraw/zinc/54/13/55/568541355.db2.gz SXXBELILSLTARD-VXKWHMMOSA-N 1 0 420.586 3.251 40 0 HGABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 ZINC000223253966 568542722 /nfs/dbraw/zinc/54/27/22/568542722.db2.gz VCMLZQUYVZIYFS-CABCVRRESA-N 1 0 411.394 3.440 40 0 HGABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cccnc1 ZINC000223258192 568542896 /nfs/dbraw/zinc/54/28/96/568542896.db2.gz ULYZDXXEGJGLPX-FGZHOGPDSA-N 1 0 420.586 3.418 40 0 HGABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cccnc1 ZINC000223258349 568542923 /nfs/dbraw/zinc/54/29/23/568542923.db2.gz ULYZDXXEGJGLPX-VXKWHMMOSA-N 1 0 420.586 3.418 40 0 HGABRO CCN(c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224363057 568579256 /nfs/dbraw/zinc/57/92/56/568579256.db2.gz ZIJOMEXLTOROSB-UHFFFAOYSA-N 1 0 415.559 3.118 40 0 HGABRO CSc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1NC(=O)C(C)C ZINC000224443033 568581434 /nfs/dbraw/zinc/58/14/34/568581434.db2.gz AHSFYQLYVFGJKX-UHFFFAOYSA-N 1 0 413.609 3.157 40 0 HGABRO Cc1cc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)ccc1NS(C)(=O)=O ZINC000224668629 568591696 /nfs/dbraw/zinc/59/16/96/568591696.db2.gz PIIYDAMIKLQTLA-UHFFFAOYSA-N 1 0 415.559 3.282 40 0 HGABRO COc1cc(C[NH+]2CCC(NC(=S)NC3CCCC3)CC2)cc(OC)c1OC ZINC000225228668 568624695 /nfs/dbraw/zinc/62/46/95/568624695.db2.gz AEPNWUNVZDKQEW-UHFFFAOYSA-N 1 0 407.580 3.084 40 0 HGABRO C[NH+](C)CCOc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cn1 ZINC000225919541 568685972 /nfs/dbraw/zinc/68/59/72/568685972.db2.gz TXUHJNBKSMLANU-UHFFFAOYSA-N 1 0 419.909 3.366 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 ZINC000242495181 568687535 /nfs/dbraw/zinc/68/75/35/568687535.db2.gz FYDSZLRCGNAQST-QWFCFKBJSA-N 1 0 407.919 3.096 40 0 HGABRO Cc1cccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c1 ZINC000061997549 568711397 /nfs/dbraw/zinc/71/13/97/568711397.db2.gz VPMFYHWUKMLBMB-ZKNOEPHOSA-N 1 0 424.585 3.402 40 0 HGABRO COCCNC(=O)CN1CCC[C@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257252296 568790897 /nfs/dbraw/zinc/79/08/97/568790897.db2.gz JUGTWUKLINTLRZ-KRWDZBQOSA-N 1 0 400.498 3.215 40 0 HGABRO Cc1nc([C@H]2CC[N@H+](Cc3ccccn3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257263796 568793882 /nfs/dbraw/zinc/79/38/82/568793882.db2.gz LRMYECAEZIWRDW-IBGZPJMESA-N 1 0 407.562 3.469 40 0 HGABRO C[NH+](C)CCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000257273541 568796625 /nfs/dbraw/zinc/79/66/25/568796625.db2.gz NHBDFCKGXIWMRE-INIZCTEOSA-N 1 0 414.575 3.094 40 0 HGABRO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000257306414 568806472 /nfs/dbraw/zinc/80/64/72/568806472.db2.gz SUEUSIVAUHZOJG-VWLOTQADSA-N 1 0 416.525 3.335 40 0 HGABRO CCCCc1cc(C(=O)N2CCC[C@](O)(C[N@H+](C)Cc3ccc(F)cc3)CC2)[nH]n1 ZINC000257318078 568809797 /nfs/dbraw/zinc/80/97/97/568809797.db2.gz VMKKAWZIZXVJND-HSZRJFAPSA-N 1 0 416.541 3.381 40 0 HGABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)[nH+]1 ZINC000257344362 568817399 /nfs/dbraw/zinc/81/73/99/568817399.db2.gz ZWWUKKOSORFXNB-OAHLLOKOSA-N 1 0 415.494 3.184 40 0 HGABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218565403 568881953 /nfs/dbraw/zinc/88/19/53/568881953.db2.gz FCGSADDHOIRCQG-ONTIZHBOSA-N 1 0 401.528 3.005 40 0 HGABRO CC(C)NC(=O)N1C[C@@H]2CC[C@H](CNC(=O)Cc3ccccc3)[N@@H+]2Cc2ccccc21 ZINC000306130027 568892583 /nfs/dbraw/zinc/89/25/83/568892583.db2.gz IUGRHOYVPBIZPZ-YADHBBJMSA-N 1 0 420.557 3.317 40 0 HGABRO Cc1ccsc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306138938 568900822 /nfs/dbraw/zinc/90/08/22/568900822.db2.gz SLDIFKOWBQPBHO-GJZGRUSLSA-N 1 0 411.506 3.344 40 0 HGABRO COCCN1CC[C@@]2(C[N@H+](Cc3cccc(F)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306142632 568904306 /nfs/dbraw/zinc/90/43/06/568904306.db2.gz XFANLWNYGVXSAO-REWPJTCUSA-N 1 0 414.525 3.068 40 0 HGABRO CCc1ccc(C[NH+]2CCN(c3nccn4c(-c5cnn(C)c5)cnc34)CC2)cc1 ZINC000306144034 568905486 /nfs/dbraw/zinc/90/54/86/568905486.db2.gz YTXZNNJRHHPYDF-UHFFFAOYSA-N 1 0 401.518 3.014 40 0 HGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218048533 568924813 /nfs/dbraw/zinc/92/48/13/568924813.db2.gz FDKSSCHDQAEKOZ-NNMXDRDESA-N 1 0 416.543 3.157 40 0 HGABRO CCOC[C@@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218121778 568926116 /nfs/dbraw/zinc/92/61/16/568926116.db2.gz ZJNJMNNUEPNQEG-UFYCRDLUSA-N 1 0 409.935 3.270 40 0 HGABRO CCOC[C@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218121857 568926235 /nfs/dbraw/zinc/92/62/35/568926235.db2.gz ZJNJMNNUEPNQEG-SLFFLAALSA-N 1 0 409.935 3.270 40 0 HGABRO COC[C@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218228918 568928365 /nfs/dbraw/zinc/92/83/65/568928365.db2.gz FZKUGDLVSLHEID-CEXWTWQISA-N 1 0 424.360 3.289 40 0 HGABRO Cc1nc2cc(Nc3cc(C(F)(F)F)nc(NCCC[NH+](C)C)n3)ccc2s1 ZINC000328974901 568970812 /nfs/dbraw/zinc/97/08/12/568970812.db2.gz FHPLEHQPEWAKJI-UHFFFAOYSA-N 1 0 410.469 3.365 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000328978826 568970816 /nfs/dbraw/zinc/97/08/16/568970816.db2.gz GCGBRRCEBBTGEC-UHFFFAOYSA-N 1 0 423.361 3.345 40 0 HGABRO C[NH2+]CCN1c2ccccc2S[C@@H](c2ccc(OC)cc2)[C@@H](OC(C)=O)C1=O ZINC000005166438 568991609 /nfs/dbraw/zinc/99/16/09/568991609.db2.gz YOMLDISQSWWYOT-UXHICEINSA-N 1 0 400.500 3.026 40 0 world HGABRO O=C(CN1Cc2ccccc2C1=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000524731442 569291600 /nfs/dbraw/zinc/29/16/00/569291600.db2.gz YANKGUFDQNGLKJ-LNGMVNIQSA-N 1 0 405.542 3.064 40 0 HGABRO C[C@@H]1CCCN(c2cc(C(=O)N(C[C@H]3CCCO3)C3CC[NH+](C)CC3)ccn2)C1 ZINC000248100394 569316268 /nfs/dbraw/zinc/31/62/68/569316268.db2.gz DOQWFNZBIGCUGX-WIYYLYMNSA-N 1 0 400.567 3.033 40 0 HGABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@H+](Cc3ccncc3C)C1)O2 ZINC000012135351 569344671 /nfs/dbraw/zinc/34/46/71/569344671.db2.gz NWGAKYWNWYAROQ-GBXCKJPGSA-N 1 0 409.530 3.420 40 0 HGABRO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CC[N@H+](Cc3cnn(C)c3C)C2)c1 ZINC000019694807 569346684 /nfs/dbraw/zinc/34/66/84/569346684.db2.gz XLIOXHQELHQURR-SFHVURJKSA-N 1 0 406.534 3.250 40 0 HGABRO COc1ccc(-c2nc(C3CC[NH+](C)CC3)[nH]c2C(=O)NCCOC(C)C)cc1 ZINC000019698725 569346902 /nfs/dbraw/zinc/34/69/02/569346902.db2.gz QBVXWQOHZCUCNG-UHFFFAOYSA-N 1 0 400.523 3.049 40 0 HGABRO Cc1ncc(C(=O)NCc2cnn(-c3ccccc3)c2[C@H]2CC[N@@H+](C(C)C)C2)c(C)n1 ZINC000019707997 569348057 /nfs/dbraw/zinc/34/80/57/569348057.db2.gz FXDGCMUFALLSAX-IBGZPJMESA-N 1 0 418.545 3.407 40 0 HGABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CN(C(=O)CCc1nc3ccccc3s1)CC2 ZINC000019710814 569428930 /nfs/dbraw/zinc/42/89/30/569428930.db2.gz VUUPYZBTVPWHHV-KRWDZBQOSA-N 1 0 422.558 3.070 40 0 HGABRO CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3CN2CCc3ccccc32)cc1 ZINC000008622877 571096787 /nfs/dbraw/zinc/09/67/87/571096787.db2.gz OEENUJLMSOLJQE-WMTXJRDZSA-N 1 0 418.585 3.256 40 0 biogenic,in-vitro HGABRO C[NH+](C)CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2cccc(C(F)(F)F)c2)c1=O ZINC000008300259 291235090 /nfs/dbraw/zinc/23/50/90/291235090.db2.gz LCLFWFXMAXEHRE-GOEBONIOSA-N 1 0 419.447 3.041 40 0 biogenic,in-vitro HGABRO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(OC)cc3)n2)cn1 ZINC000035425628 291236592 /nfs/dbraw/zinc/23/65/92/291236592.db2.gz JMLVUQFZLNWWOF-SFHVURJKSA-N 1 0 423.473 3.062 40 0 biogenic,in-vitro HGABRO COc1ccc(C[NH2+]C[C@H]2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)cc1 ZINC000096269415 291240406 /nfs/dbraw/zinc/24/04/06/291240406.db2.gz BNYOTJBDCZTIAV-FQEVSTJZSA-N 1 0 421.497 3.409 40 0 biogenic,in-vitro HGABRO COc1ccc(-c2noc([C@@H]3C[C@H]([NH2+]Cc4ccc(NC(C)=O)cc4)CN3C)n2)cc1 ZINC000030879589 291239758 /nfs/dbraw/zinc/23/97/58/291239758.db2.gz FWHALCFVPBJLRZ-FPOVZHCZSA-N 1 0 421.501 3.239 40 0 biogenic,in-vitro HGABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)NC4CCCCC4)CCN3C(C)(C)C2)cc1 ZINC000253395871 291239836 /nfs/dbraw/zinc/23/98/36/291239836.db2.gz CQVXVNOTVOXXJI-OAQYLSRUSA-N 1 0 414.594 3.318 40 0 biogenic,in-vitro HGABRO CC(C)c1ccc(OCCOC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000040373306 519838255 /nfs/dbraw/zinc/83/82/55/519838255.db2.gz ZTBDWELRIPVKSV-DEOSSOPVSA-N 1 0 412.574 3.384 40 0 HGABRO C[C@@H]1/C(=C/C(=O)OCC[NH+](C)C)CC[C@@H]2[C@@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@@]21C ZINC000004804681 557599199 /nfs/dbraw/zinc/59/91/99/557599199.db2.gz GMHWATCMBXIANN-ZLMGYVEHSA-N 1 0 405.579 3.456 40 0 HGABRO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035840132 557641403 /nfs/dbraw/zinc/64/14/03/557641403.db2.gz GDODBXYULPSREU-FZONSQQESA-N 1 0 421.884 3.080 40 0 HGABRO Cc1nc([C@H]2CCC[N@@H+](C3CCOCC3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 ZINC000019743900 558264537 /nfs/dbraw/zinc/26/45/37/558264537.db2.gz JNOAGOXEXPKRTP-SFHVURJKSA-N 1 0 424.520 3.372 40 0 HGABRO COCCN1CCCC[C@H](C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C1=O ZINC000019744138 558264681 /nfs/dbraw/zinc/26/46/81/558264681.db2.gz OBTRAXGHBBUBLL-HSZRJFAPSA-N 1 0 410.562 3.359 40 0 HGABRO COc1ccc2c(c1)C=C(C[N@H+](CCCN1CCOCC1)Cc1cccnc1)CO2 ZINC000012118026 558329632 /nfs/dbraw/zinc/32/96/32/558329632.db2.gz KXJPUYAUZMTINT-UHFFFAOYSA-N 1 0 409.530 3.091 40 0 HGABRO C[NH+](C)CC(C)(C)CNC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCOCC1 ZINC000012156889 558340702 /nfs/dbraw/zinc/34/07/02/558340702.db2.gz DREGAQBMOZYUKD-IBGZPJMESA-N 1 0 419.541 3.210 40 0 HGABRO CCCc1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CN(C(C)=O)Cc4ccccc4O3)C2)cn1 ZINC000012235575 558358521 /nfs/dbraw/zinc/35/85/21/558358521.db2.gz WARHGDVHAMOJPZ-REWPJTCUSA-N 1 0 408.546 3.451 40 0 HGABRO CC(C)NC(=O)Cn1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c2ccccc21 ZINC000012241454 558360365 /nfs/dbraw/zinc/36/03/65/558360365.db2.gz FJFFUEJYOPOVOI-IBGZPJMESA-N 1 0 410.562 3.000 40 0 HGABRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000022075872 558462797 /nfs/dbraw/zinc/46/27/97/558462797.db2.gz YRCQFIOBBCHSLW-LJQANCHMSA-N 1 0 400.519 3.202 40 0 HGABRO COCc1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)c1CCc1ccccc1 ZINC000022448755 558489920 /nfs/dbraw/zinc/48/99/20/558489920.db2.gz SKNSAOMFSJETFF-UHFFFAOYSA-N 1 0 418.541 3.024 40 0 HGABRO O=c1ccc(-c2cccs2)nn1CC1(O)CC[NH+](CCCc2ccccc2)CC1 ZINC000013267103 558528452 /nfs/dbraw/zinc/52/84/52/558528452.db2.gz LHACSLGSNRKDRK-UHFFFAOYSA-N 1 0 409.555 3.432 40 0 HGABRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000013670841 558562125 /nfs/dbraw/zinc/56/21/25/558562125.db2.gz NXAMPIZTOZBHMO-GJZGRUSLSA-N 1 0 403.386 3.237 40 0 HGABRO Cn1c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)cc2n(C)c1=O ZINC000039748673 558687154 /nfs/dbraw/zinc/68/71/54/558687154.db2.gz NOEJDVIZWYEJKY-UHFFFAOYSA-N 1 0 412.921 3.381 40 0 HGABRO Cc1cccc(C[NH+]2CCC(C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)c1 ZINC000038831229 558816750 /nfs/dbraw/zinc/81/67/50/558816750.db2.gz MODCVDBRVRAVHM-UHFFFAOYSA-N 1 0 421.585 3.356 40 0 HGABRO COc1ccc2c(c1)C=C(C[NH+]1CCC([C@@H](NC(C)=O)c3ccccn3)CC1)CO2 ZINC000019020426 558837811 /nfs/dbraw/zinc/83/78/11/558837811.db2.gz UQQOHTYDBSXXGO-XMMPIXPASA-N 1 0 407.514 3.455 40 0 HGABRO Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCC[N@@H+](Cc3cn(C)nc3C)C2)on1 ZINC000019122252 558843766 /nfs/dbraw/zinc/84/37/66/558843766.db2.gz HOPWLTUAXMUYAA-GOSISDBHSA-N 1 0 421.549 3.462 40 0 HGABRO COc1ccc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cc1CN1CCOCC1 ZINC000019208592 558847566 /nfs/dbraw/zinc/84/75/66/558847566.db2.gz AXMOSZUYIQMQJA-UHFFFAOYSA-N 1 0 410.558 3.319 40 0 HGABRO Cc1cnccc1C(=O)N1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019239493 558858090 /nfs/dbraw/zinc/85/80/90/558858090.db2.gz FQQUQZBBWCBWTA-UHFFFAOYSA-N 1 0 421.541 3.438 40 0 HGABRO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(Oc3ncccn3)c1)C2 ZINC000019291402 558863864 /nfs/dbraw/zinc/86/38/64/558863864.db2.gz PATIITISNHWANJ-LIMIJEPZSA-N 1 0 405.502 3.122 40 0 HGABRO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)no1)N1CCC(O)CC1 ZINC000019333997 558869162 /nfs/dbraw/zinc/86/91/62/558869162.db2.gz LHDGJYRKCQPKCF-MRXNPFEDSA-N 1 0 403.910 3.305 40 0 HGABRO O=C(c1cccnc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019337520 558870347 /nfs/dbraw/zinc/87/03/47/558870347.db2.gz KNSJETDJLREJPW-NRFANRHFSA-N 1 0 421.545 3.493 40 0 HGABRO O=C(c1cccnc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019337551 558870586 /nfs/dbraw/zinc/87/05/86/558870586.db2.gz YCKXGBNOGUBPFC-OAQYLSRUSA-N 1 0 421.545 3.081 40 0 HGABRO O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+](C4CCCC4)C3)[nH]c(=O)c2C1 ZINC000019342752 558872167 /nfs/dbraw/zinc/87/21/67/558872167.db2.gz IOXNYFAVOAODFD-OAHLLOKOSA-N 1 0 412.559 3.152 40 0 HGABRO O=C(C1CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccs1)CC2 ZINC000019343561 558872468 /nfs/dbraw/zinc/87/24/68/558872468.db2.gz JILCOQIQHRYDQX-LJQANCHMSA-N 1 0 412.559 3.243 40 0 HGABRO O=C(C[N@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)c1ccccc1)NC1CC1 ZINC000019368935 558877726 /nfs/dbraw/zinc/87/77/26/558877726.db2.gz DZQHRDGQUVMVBB-DNVJHFABSA-N 1 0 421.516 3.034 40 0 HGABRO O=C(NCc1cccnc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372581 558879776 /nfs/dbraw/zinc/87/97/76/558879776.db2.gz UFSGFKZEJQWCPT-DHIUTWEWSA-N 1 0 417.484 3.468 40 0 HGABRO O=C(NCc1ccncc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372584 558879858 /nfs/dbraw/zinc/87/98/58/558879858.db2.gz GBHQMGOSHAUMHN-DHIUTWEWSA-N 1 0 417.484 3.468 40 0 HGABRO O=C(NC[C@H]1CCCO1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372545 558879923 /nfs/dbraw/zinc/87/99/23/558879923.db2.gz PLUMZEBNFWECHX-YPAWHYETSA-N 1 0 410.489 3.052 40 0 HGABRO O=C(CN1CCC2(CC1)Nc1ccccc1C1=[NH+]CCCN12)Nc1ccccc1F ZINC000019375111 558881490 /nfs/dbraw/zinc/88/14/90/558881490.db2.gz OAONPUYUWRXAQE-UHFFFAOYSA-N 1 0 407.493 3.134 40 0 HGABRO COc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@H]2Cc2ccccc2)cc1OC(C)C ZINC000019450505 558888855 /nfs/dbraw/zinc/88/88/55/558888855.db2.gz OEGHEXDDQQJRLT-XPWALMASSA-N 1 0 410.558 3.345 40 0 HGABRO CC[NH+](CC)[C@@H](C(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2)c1ccccc1 ZINC000057796494 558890507 /nfs/dbraw/zinc/89/05/07/558890507.db2.gz OBJFQSKMJMGILD-OAQYLSRUSA-N 1 0 407.514 3.211 40 0 HGABRO C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCC2)CC3)C1)c1ccccc1 ZINC000019459045 558892859 /nfs/dbraw/zinc/89/28/59/558892859.db2.gz YYJCLXCWYJGYRM-PKOBYXMFSA-N 1 0 420.557 3.190 40 0 HGABRO CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)c4cccnc4)[nH]c(=O)c3C2)CC1 ZINC000019496006 558894969 /nfs/dbraw/zinc/89/49/69/558894969.db2.gz CQPKXFWQMMWHKO-QYGXFBIXSA-N 1 0 421.545 3.491 40 0 HGABRO C[C@@H]1CCCN(c2cc(C(=O)N(C[C@@H]3CCCO3)C3CC[NH+](C)CC3)ccn2)C1 ZINC000019496615 558895523 /nfs/dbraw/zinc/89/55/23/558895523.db2.gz DOQWFNZBIGCUGX-NQIIRXRSSA-N 1 0 400.567 3.033 40 0 HGABRO CCC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000019499335 558897596 /nfs/dbraw/zinc/89/75/96/558897596.db2.gz JXOWJKPNXFLDAC-RTWAWAEBSA-N 1 0 410.514 3.419 40 0 HGABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1C ZINC000019500315 558898509 /nfs/dbraw/zinc/89/85/09/558898509.db2.gz LQUUGRQEBAXURO-LJQANCHMSA-N 1 0 414.619 3.420 40 0 HGABRO CCC[C@@H]1C[C@@](O)(Cn2cnc3c(c(C)c(C)n3Cc3ccccc3)c2=O)CC[NH2+]1 ZINC000019502086 558899953 /nfs/dbraw/zinc/89/99/53/558899953.db2.gz PBRXHBHONRNLGG-HYBUGGRVSA-N 1 0 408.546 3.146 40 0 HGABRO CCOc1cc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)ccc1OCC(N)=O ZINC000019532207 558912388 /nfs/dbraw/zinc/91/23/88/558912388.db2.gz FPAXNDWDPRRYCZ-SFHVURJKSA-N 1 0 408.502 3.205 40 0 HGABRO CCOc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000019532939 558912834 /nfs/dbraw/zinc/91/28/34/558912834.db2.gz RVDLXTIURWTWEA-NRFANRHFSA-N 1 0 424.545 3.254 40 0 HGABRO COc1cccc(CNC(=O)c2cc([C@H]3CCC[N@H+](Cc4ccccn4)C3)no2)c1 ZINC000019565638 558925485 /nfs/dbraw/zinc/92/54/85/558925485.db2.gz ADFZAJZXSAQZON-SFHVURJKSA-N 1 0 406.486 3.388 40 0 HGABRO Cc1c2ccccc2oc1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](C)CC3)C1 ZINC000019566124 558925878 /nfs/dbraw/zinc/92/58/78/558925878.db2.gz WCSXLYQSEGSFDW-HNNXBMFYSA-N 1 0 406.486 3.245 40 0 HGABRO Cc1n[nH]c(C)c1CCc1cc(=O)[nH]c(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019579002 558934694 /nfs/dbraw/zinc/93/46/94/558934694.db2.gz BKHDJELFSCUCQI-UHFFFAOYSA-N 1 0 406.534 3.384 40 0 HGABRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H](C)n3nc4ccccc4n3)CC2)cc1 ZINC000072347501 558944549 /nfs/dbraw/zinc/94/45/49/558944549.db2.gz VFGWNKGVGHRDNC-KRWDZBQOSA-N 1 0 407.518 3.029 40 0 HGABRO COc1cccc(CC[C@@H]2CCCCN2C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000019662591 558953696 /nfs/dbraw/zinc/95/36/96/558953696.db2.gz IPZXJOSJUUNGMT-QFIPXVFZSA-N 1 0 422.573 3.470 40 0 HGABRO C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 ZINC000019689026 558958588 /nfs/dbraw/zinc/95/85/88/558958588.db2.gz FVAIBMIJUBDRHZ-GOSISDBHSA-N 1 0 420.557 3.428 40 0 HGABRO Cc1ccn(CCNC(=O)C2(Cc3cccc([C@@H]4CCC[N@@H+](C)C4)c3)CCOCC2)n1 ZINC000072372223 558959539 /nfs/dbraw/zinc/95/95/39/558959539.db2.gz HGWRZAKODFSUQD-HSZRJFAPSA-N 1 0 424.589 3.156 40 0 HGABRO C[NH+](C)CC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1 ZINC000072377179 558966529 /nfs/dbraw/zinc/96/65/29/558966529.db2.gz UERBNJJDXNBNPK-MRXNPFEDSA-N 1 0 407.440 3.360 40 0 HGABRO CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)s1 ZINC000019705896 558968352 /nfs/dbraw/zinc/96/83/52/558968352.db2.gz IIDQZJYVLNMLHS-QGZVFWFLSA-N 1 0 401.580 3.466 40 0 HGABRO CCOc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccc(F)c(F)c4)C[C@H]32)c(OCC)n1 ZINC000072392648 558972332 /nfs/dbraw/zinc/97/23/32/558972332.db2.gz XCEPVPSBQKYNIW-LBUQITIBSA-N 1 0 419.472 3.282 40 0 HGABRO CCSc1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 ZINC000072393033 558972699 /nfs/dbraw/zinc/97/26/99/558972699.db2.gz HXJPYOPQHOJTMW-QGZVFWFLSA-N 1 0 408.531 3.114 40 0 HGABRO Cc1cccn2c(=O)c(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)cnc12 ZINC000019714661 558974802 /nfs/dbraw/zinc/97/48/02/558974802.db2.gz MHOOSGSMMKBOAG-UHFFFAOYSA-N 1 0 406.486 3.120 40 0 HGABRO Cc1sc2ncnc(N3CCC(C(=O)NC[C@@H](C(C)C)[NH+](C)C)CC3)c2c1C ZINC000019716437 558978292 /nfs/dbraw/zinc/97/82/92/558978292.db2.gz OHWSPADFCHOWCO-KRWDZBQOSA-N 1 0 403.596 3.227 40 0 HGABRO Cc1cc(C)n2nc(CC(=O)Nc3ccc(CC[C@@H]4CC[N@@H+](C)C[C@H]4C)cc3)nc2n1 ZINC000257207089 558988883 /nfs/dbraw/zinc/98/88/83/558988883.db2.gz BGGZICMIEFPWTK-OXQOHEQNSA-N 1 0 420.561 3.443 40 0 HGABRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2c(=O)[nH]c(N3CCC[C@H](C)C3)nc2C1 ZINC000257309208 559011515 /nfs/dbraw/zinc/01/15/15/559011515.db2.gz TZYYXZFSOYCCLX-DLBZAZTESA-N 1 0 424.545 3.384 40 0 HGABRO Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)s1 ZINC000585104908 559027454 /nfs/dbraw/zinc/02/74/54/559027454.db2.gz WUWSMLXERDFQDL-FHWLQOOXSA-N 1 0 421.607 3.007 40 0 HGABRO COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](C[N@@H+]3C[C@@H](C)c3ccccc3)C2)c1 ZINC000585107935 559029771 /nfs/dbraw/zinc/02/97/71/559029771.db2.gz GQDSFXBAETZEBS-ZWCUEREDSA-N 1 0 400.544 3.194 40 0 HGABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(C(=O)Cc1cccc(F)c1F)CCC2 ZINC000585108049 559029822 /nfs/dbraw/zinc/02/98/22/559029822.db2.gz JKOOZODNSNGDDR-JTSKRJEESA-N 1 0 408.489 3.019 40 0 HGABRO CCCN1CCN(C(=O)CC[NH3+])C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183568 559070449 /nfs/dbraw/zinc/07/04/49/559070449.db2.gz BSDUFNBXPYCDSL-JOCHJYFZSA-N 1 0 407.558 3.250 40 0 HGABRO CN1CCN(C(=O)C[C@@H]2CC3(CC[NH+](Cc4ccco4)CC3)c3ccccc32)CC1 ZINC000096052921 559092685 /nfs/dbraw/zinc/09/26/85/559092685.db2.gz QQYAQVRSHMAXRI-HXUWFJFHSA-N 1 0 407.558 3.465 40 0 HGABRO COc1ccc(CN(C)c2ccc3ccc(C(=O)N4CC[C@H]([NH+](C)C)C4)cn32)cc1 ZINC000096146171 559097778 /nfs/dbraw/zinc/09/77/78/559097778.db2.gz PCTPUQRVULCSEL-NRFANRHFSA-N 1 0 406.530 3.360 40 0 HGABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N2CCCC2)Cn2ccnc23)cc1C ZINC000096243697 559104774 /nfs/dbraw/zinc/10/47/74/559104774.db2.gz SHGDJBWWWZPDFK-OAQYLSRUSA-N 1 0 408.546 3.012 40 0 HGABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)c3cccc(Cl)c3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096262564 559106473 /nfs/dbraw/zinc/10/64/73/559106473.db2.gz JRRCWJFJTZFSIK-HSZRJFAPSA-N 1 0 417.981 3.383 40 0 HGABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)c3cc(F)cc(F)c3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096262740 559106682 /nfs/dbraw/zinc/10/66/82/559106682.db2.gz XQEVQDVORQRQKS-HSZRJFAPSA-N 1 0 419.516 3.007 40 0 HGABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000585290349 559122962 /nfs/dbraw/zinc/12/29/62/559122962.db2.gz VEQXFJGPUNFPOG-YTFSRNRJSA-N 1 0 402.485 3.443 40 0 HGABRO COC(=O)C1(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)CCCCC1 ZINC000098063891 559126336 /nfs/dbraw/zinc/12/63/36/559126336.db2.gz AXQFVZANACODJQ-DOIPELPJSA-N 1 0 415.578 3.467 40 0 HGABRO [NH3+][C@@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cnccn3)n2)CC1)c1ccccc1 ZINC000100708848 559138189 /nfs/dbraw/zinc/13/81/89/559138189.db2.gz UYJWXRUVRXCYAF-LLGFUMIMSA-N 1 0 417.517 3.100 40 0 HGABRO O[C@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCCn3ccnc3)c2)C1 ZINC000257328652 559283210 /nfs/dbraw/zinc/28/32/10/559283210.db2.gz XGOPGAGAHXOODP-XMMPIXPASA-N 1 0 407.514 3.368 40 0 HGABRO C[N@@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@H](O)COC1CCCCC1 ZINC000257244359 559284181 /nfs/dbraw/zinc/28/41/81/559284181.db2.gz IKYWNUVXKMUZPM-NRFANRHFSA-N 1 0 418.578 3.220 40 0 HGABRO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](C4CCOCC4)C[C@H]2N(C)C3=O)c1 ZINC000514288848 560033725 /nfs/dbraw/zinc/03/37/25/560033725.db2.gz CKIHQRRSMIZEDF-GGAORHGYSA-N 1 0 408.498 3.058 40 0 biogenic,in-vitro HGABRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000004231281 560603068 /nfs/dbraw/zinc/60/30/68/560603068.db2.gz HFKZHPBMIQIRLH-UHFFFAOYSA-N 1 0 424.501 3.141 40 0 HGABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)c1 ZINC000409056024 560670303 /nfs/dbraw/zinc/67/03/03/560670303.db2.gz DOWRTWURRWOJRY-LIFFMEMSSA-O 1 0 414.485 3.020 40 0 HGABRO Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 ZINC000409056274 560670344 /nfs/dbraw/zinc/67/03/44/560670344.db2.gz GOKDFCIEXDHKQE-DCFWFYTKSA-O 1 0 402.449 3.150 40 0 HGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409057896 560670577 /nfs/dbraw/zinc/67/05/77/560670577.db2.gz MTRKSCGQRZOFPK-AYHYUOJHSA-O 1 0 414.485 3.020 40 0 HGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409059610 560670990 /nfs/dbraw/zinc/67/09/90/560670990.db2.gz SMHAFNGUVCRNNG-WFZBXURCSA-O 1 0 414.485 3.020 40 0 HGABRO Cc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409054422 560671230 /nfs/dbraw/zinc/67/12/30/560671230.db2.gz JQDSPQFWAFFPEG-VNGKGULCSA-O 1 0 416.476 3.459 40 0 HGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000409061220 560672776 /nfs/dbraw/zinc/67/27/76/560672776.db2.gz BZSUVPMUOCJDBU-NAGXTHEASA-O 1 0 404.877 3.356 40 0 HGABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409071075 560673288 /nfs/dbraw/zinc/67/32/88/560673288.db2.gz OHFARTPJQPCRIF-WSBKAMHLSA-O 1 0 416.476 3.459 40 0 HGABRO O=C(CCN1Cc2ccccc2C1=O)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000409414328 560723337 /nfs/dbraw/zinc/72/33/37/560723337.db2.gz KMWOXVJLEQBKSZ-BEZYRKKYSA-N 1 0 419.569 3.454 40 0 HGABRO O=C(NCCCn1ccnc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000100619423 560725666 /nfs/dbraw/zinc/72/56/66/560725666.db2.gz KEOOPWCVXLHHMW-DOMZBBRYSA-N 1 0 408.384 3.153 40 0 HGABRO CC1CC[NH+](CCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 ZINC000010090299 560763093 /nfs/dbraw/zinc/76/30/93/560763093.db2.gz PDKJUPPYMZDVGR-UHFFFAOYSA-N 1 0 415.559 3.339 40 0 HGABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000010544214 560770408 /nfs/dbraw/zinc/77/04/08/560770408.db2.gz VVYDIVOSYNQNDI-CQSZACIVSA-N 1 0 419.385 3.391 40 0 HGABRO Cc1ccc([C@H](CNC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)[NH+](C)C)cc1 ZINC000019136427 560871962 /nfs/dbraw/zinc/87/19/62/560871962.db2.gz WWSHJNGYLJNVMF-QXPPZTQFSA-N 1 0 407.562 3.301 40 0 HGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](C5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020411338 560883779 /nfs/dbraw/zinc/88/37/79/560883779.db2.gz FXYPTAKKGKQTFF-DBPOXSKKSA-N 1 0 416.606 3.222 40 0 HGABRO COc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccccc4F)CC3)n2)cc1 ZINC000219424502 568491771 /nfs/dbraw/zinc/49/17/71/568491771.db2.gz RCYVKNVCVGOCRK-UHFFFAOYSA-N 1 0 424.476 3.413 40 0 HGABRO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)n1-c1cccnc1 ZINC000223219339 568541399 /nfs/dbraw/zinc/54/13/99/568541399.db2.gz JMSZAGRNERAHIX-VXKWHMMOSA-N 1 0 420.586 3.500 40 0 HGABRO COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223259494 568542972 /nfs/dbraw/zinc/54/29/72/568542972.db2.gz OWLCDXYZENVUOK-YADHBBJMSA-N 1 0 421.570 3.415 40 0 HGABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000223279829 568543972 /nfs/dbraw/zinc/54/39/72/568543972.db2.gz WEAFRXZXXLMPLT-LEWJYISDSA-N 1 0 407.543 3.112 40 0 HGABRO COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000224535926 568584007 /nfs/dbraw/zinc/58/40/07/568584007.db2.gz JQBRFBLFQGEHEW-UHFFFAOYSA-N 1 0 416.543 3.246 40 0 HGABRO COC(=O)CSc1nnc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000224754024 568595380 /nfs/dbraw/zinc/59/53/80/568595380.db2.gz FQFPXAYEOFFJML-UHFFFAOYSA-N 1 0 406.533 3.041 40 0 HGABRO COc1cc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)c(OC)cc1Cl ZINC000225213529 568623743 /nfs/dbraw/zinc/62/37/43/568623743.db2.gz MPCYCVQJXADURU-UHFFFAOYSA-N 1 0 413.971 3.287 40 0 HGABRO CCc1ncc(C[N@@H+]2CCC[C@H](Cc3cc(Nc4cc(C)[nH]n4)nc(C)n3)C2)cn1 ZINC000257233427 568785715 /nfs/dbraw/zinc/78/57/15/568785715.db2.gz GPFFRJXSLFSBDQ-QGZVFWFLSA-N 1 0 406.538 3.367 40 0 HGABRO O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1C1CC[NH+](C2CCCC2)CC1 ZINC000257237766 568786970 /nfs/dbraw/zinc/78/69/70/568786970.db2.gz HIBPRPHXSNSUTE-UHFFFAOYSA-N 1 0 424.589 3.023 40 0 HGABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCC1=O ZINC000257255897 568791839 /nfs/dbraw/zinc/79/18/39/568791839.db2.gz KJIVDQFCKQLZJH-YLYPHGCXSA-N 1 0 409.574 3.084 40 0 HGABRO COC[C@H](C)NC(=O)CN1CCC(c2cc(Nc3cccc(C)n3)cc(C)[nH+]2)CC1 ZINC000257259798 568792827 /nfs/dbraw/zinc/79/28/27/568792827.db2.gz LABLMRIPAUYSOJ-SFHVURJKSA-N 1 0 411.550 3.168 40 0 HGABRO Cc1ccc(NC(=O)CN2CC[C@@]3(CCC[N@@H+]3CCc3ccccc3)[C@@H](O)C2)cc1 ZINC000257263669 568793914 /nfs/dbraw/zinc/79/39/14/568793914.db2.gz LQYKIWGCTNRNNH-ZCYQVOJMSA-N 1 0 407.558 3.077 40 0 HGABRO CC(C)CCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257268268 568795271 /nfs/dbraw/zinc/79/52/71/568795271.db2.gz MKXYFLGUMRPEOO-LSQMVHIFSA-N 1 0 416.606 3.237 40 0 HGABRO COc1cccc(Cc2cnc([C@]3(C)CCCN(C(=O)C4CC[NH+](C)CC4)C3)o2)c1 ZINC000257296870 568803592 /nfs/dbraw/zinc/80/35/92/568803592.db2.gz RESDSWHVHCZSOD-XMMPIXPASA-N 1 0 411.546 3.496 40 0 HGABRO CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CCO2)n1 ZINC000257298775 568804009 /nfs/dbraw/zinc/80/40/09/568804009.db2.gz RNGIPCPMYWGLIF-OAQYLSRUSA-N 1 0 412.534 3.239 40 0 HGABRO COc1cc(OC)cc([C@@H]2OCC[C@@]3(NC(C)=O)[C@H]2C[C@@H]2C[C@H]3[C@@H](C)[NH2+]C2(C)C)c1 ZINC000257299822 568804479 /nfs/dbraw/zinc/80/44/79/568804479.db2.gz RRSFXFCFEDUELR-YEYYYBMFSA-N 1 0 416.562 3.453 40 0 HGABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(CC(=O)N4CCCC4=O)C3)c2)c1 ZINC000257305682 568806089 /nfs/dbraw/zinc/80/60/89/568806089.db2.gz SRAKYJMOUAZRQF-GOSISDBHSA-N 1 0 422.529 3.471 40 0 HGABRO CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)C1 ZINC000257311562 568807753 /nfs/dbraw/zinc/80/77/53/568807753.db2.gz UKAUPGJYALTPJL-OAHLLOKOSA-N 1 0 407.515 3.044 40 0 HGABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)CN4CCOCC4)C3)c2)cc1 ZINC000257342719 568816869 /nfs/dbraw/zinc/81/68/69/568816869.db2.gz ZPWAHEUTFKQUJT-LJQANCHMSA-N 1 0 424.545 3.180 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218565487 568881993 /nfs/dbraw/zinc/88/19/93/568881993.db2.gz FCGSADDHOIRCQG-JAXLGGSGSA-N 1 0 401.528 3.005 40 0 HGABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218587561 568882638 /nfs/dbraw/zinc/88/26/38/568882638.db2.gz OMBKGVQRHQKMII-WSTZPKSXSA-N 1 0 407.919 3.096 40 0 HGABRO COCCN1CC[C@@]2(C[N@H+](Cc3ccccc3F)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306125427 568888088 /nfs/dbraw/zinc/88/80/88/568888088.db2.gz CQOCNVNBAKUORS-XXBNENTESA-N 1 0 414.525 3.068 40 0 HGABRO C[N@@H+]1CC[C@H](COCc2ccncc2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306126572 568889424 /nfs/dbraw/zinc/88/94/24/568889424.db2.gz DZEXMLFFIWTKHI-IBGZPJMESA-N 1 0 404.514 3.316 40 0 HGABRO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@H+](Cc3cc(C)cc(C)c3)C2)cc1 ZINC000306134401 568896275 /nfs/dbraw/zinc/89/62/75/568896275.db2.gz NMCNPGIGXIISCO-RUZDIDTESA-N 1 0 416.525 3.478 40 0 HGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cnn(C(C)C)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136923 568898664 /nfs/dbraw/zinc/89/86/64/568898664.db2.gz QGVMCKNBZDVLLY-QPPBQGQZSA-N 1 0 424.593 3.470 40 0 HGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cnn(C(C)C)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136926 568898766 /nfs/dbraw/zinc/89/87/66/568898766.db2.gz QGVMCKNBZDVLLY-ZJSXRUAMSA-N 1 0 424.593 3.470 40 0 HGABRO Cc1ccc(C[NH+]2CCC3(CC2)COCc2nnc(C(=O)N4CCCC[C@@H]4C)n23)cc1 ZINC000306137606 568899623 /nfs/dbraw/zinc/89/96/23/568899623.db2.gz RBEVKVLHWIDONW-IBGZPJMESA-N 1 0 423.561 3.123 40 0 HGABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1ccccc1 ZINC000306140283 568902183 /nfs/dbraw/zinc/90/21/83/568902183.db2.gz UOWICAOSLDFADU-NHCUHLMSSA-N 1 0 401.466 3.298 40 0 HGABRO CC(C)C[NH+]1CCC2(CCCN(C(=O)c3ccccc3)[C@H]2CNC(=O)N(C)C)CC1 ZINC000306141131 568902739 /nfs/dbraw/zinc/90/27/39/568902739.db2.gz VLYIMKJVVGNCSU-NRFANRHFSA-N 1 0 414.594 3.301 40 0 HGABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4ccc(C)s4)C[C@H]2C3)cc1 ZINC000306142680 568904215 /nfs/dbraw/zinc/90/42/15/568904215.db2.gz XGGQXCZGKZNZGJ-HZPDHXFCSA-N 1 0 423.542 3.213 40 0 HGABRO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306143185 568904648 /nfs/dbraw/zinc/90/46/48/568904648.db2.gz XVHSNHPSXLPTOW-OALUTQOASA-N 1 0 421.932 3.166 40 0 HGABRO COc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306144280 568905662 /nfs/dbraw/zinc/90/56/62/568905662.db2.gz ZBBMJHOKKDIWCX-DEOSSOPVSA-N 1 0 419.481 3.462 40 0 HGABRO CC1CC[NH+](C[C@H](O)COCCOc2c(F)cc(Br)cc2F)CC1 ZINC000027530945 568916087 /nfs/dbraw/zinc/91/60/87/568916087.db2.gz XABQBRUVYASWIR-AWEZNQCLSA-N 1 0 408.283 3.216 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000329021303 568973096 /nfs/dbraw/zinc/97/30/96/568973096.db2.gz OFSJUJDWFOCTTA-UHFFFAOYSA-N 1 0 402.424 3.118 40 0 HGABRO COc1ccc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)cc1OC ZINC000329045436 568974574 /nfs/dbraw/zinc/97/45/74/568974574.db2.gz TVBSMUTYKSBVET-UHFFFAOYSA-N 1 0 407.518 3.112 40 0 HGABRO C[NH+](C)CCCNc1nc(Nc2c(F)cccc2Cl)cc(-c2ccncc2)n1 ZINC000329060826 568975197 /nfs/dbraw/zinc/97/51/97/568975197.db2.gz WOJAYMNZNLEYJZ-UHFFFAOYSA-N 1 0 400.889 3.282 40 0 HGABRO C[NH+](C)CCNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2cccnc2)n1 ZINC000329070028 568975639 /nfs/dbraw/zinc/97/56/39/568975639.db2.gz ZDBZUWYUEIZSFV-UHFFFAOYSA-N 1 0 403.317 3.406 40 0 HGABRO C[C@]1(N(CC[NH2+]Cc2cccc(F)c2)Cc2cccc(F)c2)CCS(=O)(=O)C1 ZINC000575421164 569025795 /nfs/dbraw/zinc/02/57/95/569025795.db2.gz NGUKZTMSSZSAEJ-NRFANRHFSA-N 1 0 408.514 3.134 40 0 HGABRO COc1cc2cc(CN(CC[NH+](C)C)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1OC ZINC000004231298 569051780 /nfs/dbraw/zinc/05/17/80/569051780.db2.gz LYEOGGBOIRJCEW-UHFFFAOYSA-N 1 0 424.501 3.141 40 0 HGABRO Cc1ccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2C[NH+](C)C)cc1 ZINC000248111233 569316191 /nfs/dbraw/zinc/31/61/91/569316191.db2.gz KENWIABETVAWCT-DNQXCXABSA-N 1 0 421.585 3.353 40 0 HGABRO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+](C)C)ccc2C)c(C)c1 ZINC000010111462 569342843 /nfs/dbraw/zinc/34/28/43/569342843.db2.gz NJVWMPQWPJWTMH-UHFFFAOYSA-N 1 0 403.548 3.094 40 0 HGABRO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@H+](Cc3ncccc3C)C1)O2 ZINC000012135356 569344607 /nfs/dbraw/zinc/34/46/07/569344607.db2.gz MPNYCVGVKOFFCV-NTKDMRAZSA-N 1 0 409.530 3.420 40 0 HGABRO CN(C)c1ncc(C[N@@H+]2CC[C@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000019704614 569347603 /nfs/dbraw/zinc/34/76/03/569347603.db2.gz NOJWIJSYUAWGSY-INIZCTEOSA-N 1 0 412.925 3.488 40 0 HGABRO C[NH+](C)Cc1cnc2ccnn2c1CC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000019704734 569347799 /nfs/dbraw/zinc/34/77/99/569347799.db2.gz GLBJHFTUXCJREO-UHFFFAOYSA-N 1 0 405.546 3.205 40 0 HGABRO CNc1cc(CN(C)C(=O)CCCc2ccc(F)c(C)c2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709592 569428873 /nfs/dbraw/zinc/42/88/73/569428873.db2.gz UKCKXBQQHCWUSP-SFHVURJKSA-N 1 0 413.541 3.414 40 0 HGABRO