smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)N[C@H](c1ccc(C[NH3+])cc1)C(F)(F)F ZINC000079036657 185147968 /nfs/dbraw/zinc/14/79/68/185147968.db2.gz YWKVYZNATQCGBD-LLVKDONJSA-N 1 0 304.312 3.273 40 0 DGABRO CC[C@H](C)Nc1nc(NCc2cccc(F)c2)cc(C2CC2)[nH+]1 ZINC000328955943 529702445 /nfs/dbraw/zinc/70/24/45/529702445.db2.gz AETAVCOGKLICLL-LBPRGKRZSA-N 1 0 314.408 3.159 40 0 DGABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225611803 186283308 /nfs/dbraw/zinc/28/33/08/186283308.db2.gz PGBHUIUJHOKRJR-SFHVURJKSA-N 1 0 322.449 3.161 40 0 DGABRO Cc1nc(Nc2ncccn2)cc([C@@H]2CCC[N@H+]2CC(C)C)n1 ZINC000072363453 191131716 /nfs/dbraw/zinc/13/17/16/191131716.db2.gz BWUWOQYDXHSMFZ-HNNXBMFYSA-N 1 0 312.421 3.112 40 0 DGABRO Cc1csc(C2CCN(C(=O)[C@]3(C)CCCC[N@H+]3C)CC2)n1 ZINC000072367312 191137544 /nfs/dbraw/zinc/13/75/44/191137544.db2.gz VOMCGPWXMFWPMR-KRWDZBQOSA-N 1 0 321.490 3.032 40 0 DGABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072378642 191140762 /nfs/dbraw/zinc/14/07/62/191140762.db2.gz UANVUJILONMTSA-SFHVURJKSA-N 1 0 319.412 3.308 40 0 DGABRO CCN(CC[NH+](C)C)C(=O)C(c1ccccc1)c1ccccc1 ZINC000001726187 180892216 /nfs/dbraw/zinc/89/22/16/180892216.db2.gz FXVKCXUBAUNYLN-UHFFFAOYSA-N 1 0 310.441 3.229 40 0 DGABRO COc1cc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc2ccccc21 ZINC000002575111 180936607 /nfs/dbraw/zinc/93/66/07/180936607.db2.gz NWIDLOZVSJGOFK-SFHVURJKSA-N 1 0 320.392 3.357 40 0 DGABRO C[NH+]1CCC(CC(=O)Nc2ccccc2Br)CC1 ZINC000074921052 191388144 /nfs/dbraw/zinc/38/81/44/191388144.db2.gz WJGLLYSJAUHRLK-UHFFFAOYSA-N 1 0 311.223 3.120 40 0 DGABRO O=Cc1c(=O)[nH]c2ccccc2c1NCC[NH+]1CCCCCC1 ZINC000006681839 181370192 /nfs/dbraw/zinc/37/01/92/181370192.db2.gz UESPUYSWNWYTGC-UHFFFAOYSA-N 1 0 313.401 3.041 40 0 DGABRO CCc1ccc(CC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000223580616 201650246 /nfs/dbraw/zinc/65/02/46/201650246.db2.gz SUHGMDZKKPMFCI-UHFFFAOYSA-N 1 0 302.462 3.030 40 0 DGABRO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257238937 202972643 /nfs/dbraw/zinc/97/26/43/202972643.db2.gz HNELXXRIXTULLA-UJMXGEILSA-N 1 0 312.457 3.139 40 0 DGABRO Cc1nc(C[N@@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)cs1 ZINC000257305315 203029128 /nfs/dbraw/zinc/02/91/28/203029128.db2.gz SPKBGIJJTSWRRP-ZDUSSCGKSA-N 1 0 313.430 3.102 40 0 DGABRO Cc1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC000257288365 203013261 /nfs/dbraw/zinc/01/32/61/203013261.db2.gz PTXSQYRUBCOKCK-OAHLLOKOSA-N 1 0 323.444 3.060 40 0 DGABRO Cc1cn(C)c([C@H]2C[N@H+](Cc3cccc4ccccc43)CCO2)n1 ZINC000257290861 203015440 /nfs/dbraw/zinc/01/54/40/203015440.db2.gz QEQDGDHFGLXQHD-LJQANCHMSA-N 1 0 321.424 3.455 40 0 DGABRO CCc1nc(C)c(C[N@@H+]2CCC[C@@H](c3ccnc(NC)c3)C2)[nH]1 ZINC000257329398 203053316 /nfs/dbraw/zinc/05/33/16/203053316.db2.gz XJVHALPHGWBKLC-OAHLLOKOSA-N 1 0 313.449 3.097 40 0 DGABRO c1cnc(C[C@@H]2CC3(CO2)CC[NH+](C2CCCCC2)CC3)cn1 ZINC000257315121 203038288 /nfs/dbraw/zinc/03/82/88/203038288.db2.gz UZZIIDMMLYOOEH-GOSISDBHSA-N 1 0 315.461 3.223 40 0 DGABRO c1ccc(C[C@H]2CC3(CO2)CC[NH+](C2CCOCC2)CC3)cc1 ZINC000257320960 203045020 /nfs/dbraw/zinc/04/50/20/203045020.db2.gz VZMMNJDLBJZOKR-IBGZPJMESA-N 1 0 315.457 3.279 40 0 DGABRO CCCCc1ncc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C)C2)[nH]1 ZINC000257321576 203045438 /nfs/dbraw/zinc/04/54/38/203045438.db2.gz WCFJEBNAVGAOOI-AWEZNQCLSA-N 1 0 301.438 3.163 40 0 DGABRO c1cc(C[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)n[nH]1 ZINC000257323836 203046739 /nfs/dbraw/zinc/04/67/39/203046739.db2.gz WMANCZHUPGBMJU-HNNXBMFYSA-N 1 0 321.428 3.255 40 0 DGABRO CC(C)Cc1ncc(-c2cncc([C@H]3CCC[NH2+]C3)n2)s1 ZINC000257322563 203047407 /nfs/dbraw/zinc/04/74/07/203047407.db2.gz WGMNSCQWKFEBHO-LBPRGKRZSA-N 1 0 302.447 3.266 40 0 DGABRO Cc1csc(Nc2cc([C@@H]3CC[N@@H+](C(C)C)C3)nc(C)n2)n1 ZINC000257324810 203049053 /nfs/dbraw/zinc/04/90/53/203049053.db2.gz WQGYILAFOXRWSV-CYBMUJFWSA-N 1 0 317.462 3.491 40 0 DGABRO C[C@]12CCCN(C(=O)c3ccc4ccccc4n3)[C@H]1CCCC[NH2+]2 ZINC000257343455 203065297 /nfs/dbraw/zinc/06/52/97/203065297.db2.gz ZTCPJUIDYLMFOL-ICSRJNTNSA-N 1 0 323.440 3.372 40 0 DGABRO CCOC[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093838873 193314410 /nfs/dbraw/zinc/31/44/10/193314410.db2.gz YQITYADVKKDJCA-KRWDZBQOSA-N 1 0 313.445 3.348 40 0 DGABRO CC(C)CN1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)C1=O ZINC000096046769 193499700 /nfs/dbraw/zinc/49/97/00/193499700.db2.gz HNMWLMWNYZUETE-UHFFFAOYSA-N 1 0 318.436 3.296 40 0 DGABRO Cc1ccc(C2(C[NH+]3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000019208419 182107528 /nfs/dbraw/zinc/10/75/28/182107528.db2.gz ARQZIVFSASKSQB-UHFFFAOYSA-N 1 0 321.468 3.239 40 0 DGABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019340985 182117171 /nfs/dbraw/zinc/11/71/71/182117171.db2.gz KXMJBUKKFGONFI-HNNXBMFYSA-N 1 0 324.359 3.260 40 0 DGABRO O=C1CC[C@@H]([NH2+]Cc2ccsc2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019406548 182121356 /nfs/dbraw/zinc/12/13/56/182121356.db2.gz HNUWBNWIRBHSII-ZBFHGGJFSA-N 1 0 322.380 3.136 40 0 DGABRO CCCC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000019501682 182126279 /nfs/dbraw/zinc/12/62/79/182126279.db2.gz NFKQSANNJGNMJN-JFIYKMOQSA-N 1 0 304.409 3.014 40 0 DGABRO COc1cccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019566482 182130535 /nfs/dbraw/zinc/13/05/35/182130535.db2.gz SPVUSZZMDLUILH-NJDAHSKKSA-N 1 0 322.452 3.415 40 0 DGABRO COc1ccc(C[NH+]2CCC(c3cc(=O)cc(C)[nH]3)CC2)cc1 ZINC000019570418 182131560 /nfs/dbraw/zinc/13/15/60/182131560.db2.gz IGVWUONQQMTOOX-UHFFFAOYSA-N 1 0 312.413 3.484 40 0 DGABRO Cc1cc(C)n(-c2cccc(CN3C[C@H]4CCC[N@H+]4C[C@H]3C)c2)n1 ZINC000019574817 182131621 /nfs/dbraw/zinc/13/16/21/182131621.db2.gz CDDJIMDNYZXHOL-YLJYHZDGSA-N 1 0 324.472 3.158 40 0 DGABRO Cc1cc(C)n(C2CC[NH+](Cc3c(C)nc4ccccn43)CC2)n1 ZINC000019659049 182135177 /nfs/dbraw/zinc/13/51/77/182135177.db2.gz WPTOUWKXCCRTGA-UHFFFAOYSA-N 1 0 323.444 3.293 40 0 DGABRO CC(C)c1ccccc1O[C@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000020049921 182183938 /nfs/dbraw/zinc/18/39/38/182183938.db2.gz OMCUURKOTONZHX-MRXNPFEDSA-N 1 0 318.461 3.179 40 0 DGABRO Cc1ccc(C[NH2+]Cc2cc3cc(C)ccc3n3nnnc23)cc1 ZINC000020151096 182192214 /nfs/dbraw/zinc/19/22/14/182192214.db2.gz AEZAANVEIGBCRJ-UHFFFAOYSA-N 1 0 317.396 3.184 40 0 DGABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[NH+]1CCCC1 ZINC000020482633 182222274 /nfs/dbraw/zinc/22/22/74/182222274.db2.gz UCAGWWVZUSVSOA-GOSISDBHSA-N 1 0 318.461 3.063 40 0 DGABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2ccccc2F)CC1 ZINC000041542055 183201270 /nfs/dbraw/zinc/20/12/70/183201270.db2.gz LMODAZOWQOTKJZ-UHFFFAOYSA-N 1 0 308.397 3.053 40 0 DGABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1I ZINC000072225965 257123565 /nfs/dbraw/zinc/12/35/65/257123565.db2.gz DSRMYCSDIKWRLD-GFCCVEGCSA-N 1 0 324.165 3.043 40 0 DGABRO CC(C)(C)OC(=O)N1[C@H]([C@@H]([NH3+])c2ccccc2)COC1(C)C ZINC000072208810 257128344 /nfs/dbraw/zinc/12/83/44/257128344.db2.gz OEXNURJONFKAOX-KBPBESRZSA-N 1 0 306.406 3.058 40 0 DGABRO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000020549075 257130278 /nfs/dbraw/zinc/13/02/78/257130278.db2.gz XFLUILIYAOXTNV-RULNRJAQSA-N 1 0 303.233 3.102 40 0 DGABRO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1F ZINC000004565101 400085144 /nfs/dbraw/zinc/08/51/44/400085144.db2.gz UQVPRKDTEWEKHO-BLLLJJGKSA-N 1 0 309.356 3.386 40 0 DGABRO COCC[C@H]1CCOC12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000585103098 400125740 /nfs/dbraw/zinc/12/57/40/400125740.db2.gz QADOZAAYJWTXTG-KRWDZBQOSA-N 1 0 319.445 3.103 40 0 DGABRO C[C@@]1(C2CC[NH2+]CC2)CCCCN(Cc2ccccc2)C1=O ZINC000585169370 400131014 /nfs/dbraw/zinc/13/10/14/400131014.db2.gz DRCBBDRJZRBDHM-IBGZPJMESA-N 1 0 300.446 3.205 40 0 DGABRO Clc1ccc2ncc(-c3ccc(C[C@H]4CC[NH2+]C4)cn3)n2c1 ZINC000585262982 400131023 /nfs/dbraw/zinc/13/10/23/400131023.db2.gz GJNMHGRSBRDHQU-CYBMUJFWSA-N 1 0 312.804 3.202 40 0 DGABRO COc1ccc2c(c1)C[N@H+](C1CCCC1)CC[C@H]1COC(=O)N21 ZINC000225492002 286399024 /nfs/dbraw/zinc/39/90/24/286399024.db2.gz JOEQEOIELNWOOK-HNNXBMFYSA-N 1 0 316.401 3.169 40 0 biogenic,in-vitro DGABRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100191361 287152901 /nfs/dbraw/zinc/15/29/01/287152901.db2.gz RJJBZKVBRLYUMB-GJZGRUSLSA-N 1 0 319.449 3.379 40 0 DGABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000129212697 196029312 /nfs/dbraw/zinc/02/93/12/196029312.db2.gz ADNWZGXHODXRNS-AWEZNQCLSA-N 1 0 302.418 3.288 40 0 DGABRO Cc1ccc2nc3n(c2c1)[C@@H](C[NH2+]Cc1ccccc1)COC3 ZINC000096112824 274785136 /nfs/dbraw/zinc/78/51/36/274785136.db2.gz XVSKFJWJCJTYGI-INIZCTEOSA-N 1 0 307.397 3.206 40 0 biogenic,in-vitro DGABRO c1ccc(CN2C[C@@]3(CC[N@@H+](CC4CC4)C3)c3ncccc32)cc1 ZINC000306138955 275067015 /nfs/dbraw/zinc/06/70/15/275067015.db2.gz SLRUUDTYFCSXFC-NRFANRHFSA-N 1 0 319.452 3.455 40 0 DGABRO c1coc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)c1 ZINC000306125080 275074726 /nfs/dbraw/zinc/07/47/26/275074726.db2.gz CGJWHTIQXRFTRA-DLBZAZTESA-N 1 0 319.408 3.447 40 0 DGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000067801327 275519504 /nfs/dbraw/zinc/51/95/04/275519504.db2.gz PEYGKVHAIBEIBV-HNNXBMFYSA-N 1 0 308.397 3.315 40 0 DGABRO CC(C)(C)OC(=O)N1CCC([C@H]([NH3+])c2ccccc2F)CC1 ZINC000255190798 277181593 /nfs/dbraw/zinc/18/15/93/277181593.db2.gz ZOMJFZGZALNVFY-HNNXBMFYSA-N 1 0 308.397 3.473 40 0 DGABRO CC1(C)CC(Nc2noc(-c3ccccc3)n2)CC(C)(C)[NH2+]1 ZINC000000092195 431123438 /nfs/dbraw/zinc/12/34/38/431123438.db2.gz FSOSABLLXQCJPD-UHFFFAOYSA-N 1 0 300.406 3.458 40 0 DGABRO O=C(Cc1cccc(Cl)c1)NCCC[NH+]1CCCCCC1 ZINC000069366033 431181470 /nfs/dbraw/zinc/18/14/70/431181470.db2.gz UOALLPPEGYPQBJ-UHFFFAOYSA-N 1 0 308.853 3.265 40 0 DGABRO CCCCCOC(=O)c1ccc(NC(=O)C[NH+](CC)CC)cc1 ZINC000001671701 431235436 /nfs/dbraw/zinc/23/54/36/431235436.db2.gz WHFRHUGBBSLREZ-UHFFFAOYSA-N 1 0 320.433 3.314 40 0 DGABRO Cc1nccn1-c1cncc([C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000072378715 431337197 /nfs/dbraw/zinc/33/71/97/431337197.db2.gz DVGZURQMZNEVCL-QGZVFWFLSA-N 1 0 311.433 3.440 40 0 DGABRO c1cnc(Nc2nccc([C@H]3CCC[N@@H+]3C3CCCCC3)n2)cn1 ZINC000072377355 431337283 /nfs/dbraw/zinc/33/72/83/431337283.db2.gz NXGBRVGXGVGITF-MRXNPFEDSA-N 1 0 324.432 3.480 40 0 DGABRO CCOc1cccc(C[NH2+]CCOC)c1OCc1ccccc1 ZINC000007539495 431354064 /nfs/dbraw/zinc/35/40/64/431354064.db2.gz ICCMEZXDZVDMDZ-UHFFFAOYSA-N 1 0 315.413 3.400 40 0 DGABRO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCCCC1 ZINC000008011600 431373884 /nfs/dbraw/zinc/37/38/84/431373884.db2.gz WGDMKQKNECOFDL-UHFFFAOYSA-N 1 0 300.446 3.479 40 0 DGABRO CCOc1cc(C[NH2+]CCOC)ccc1OCc1ccccc1 ZINC000008254634 431387373 /nfs/dbraw/zinc/38/73/73/431387373.db2.gz DGBJDLIXYSLOJG-UHFFFAOYSA-N 1 0 315.413 3.400 40 0 DGABRO CCOc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCC ZINC000008253877 431388526 /nfs/dbraw/zinc/38/85/26/431388526.db2.gz MYZJKPXTPMZRIP-UHFFFAOYSA-N 1 0 314.857 3.179 40 0 DGABRO Cc1cccc(O[C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000010111312 431452006 /nfs/dbraw/zinc/45/20/06/431452006.db2.gz XDARBNYXEUHAJL-KRWDZBQOSA-N 1 0 318.461 3.145 40 0 DGABRO CC1CC[NH+](CCCNC(=O)CSCc2ccccc2)CC1 ZINC000010540268 431462615 /nfs/dbraw/zinc/46/26/15/431462615.db2.gz LCGAIJJRYLZKDD-UHFFFAOYSA-N 1 0 320.502 3.158 40 0 DGABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(Cl)cc2)C1 ZINC000010542840 431464835 /nfs/dbraw/zinc/46/48/35/431464835.db2.gz UGXOMHIGGYIGMX-KBPBESRZSA-N 1 0 308.853 3.438 40 0 DGABRO O=C(NC1CC[NH+](CC2(c3ccccc3)CC2)CC1)C1CCC1 ZINC000012337238 431501421 /nfs/dbraw/zinc/50/14/21/431501421.db2.gz HTLZAILGTVESDG-UHFFFAOYSA-N 1 0 312.457 3.099 40 0 DGABRO CNc1ncc(C[NH2+]C2(c3ccccc3F)CCCC2)cn1 ZINC000012292991 431501589 /nfs/dbraw/zinc/50/15/89/431501589.db2.gz AFMXVCPQWAYWFR-UHFFFAOYSA-N 1 0 300.381 3.217 40 0 DGABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)C1(c2cccc(F)c2)CC1 ZINC000012362993 431504094 /nfs/dbraw/zinc/50/40/94/431504094.db2.gz SMYLKMAVONSAOQ-KRWDZBQOSA-N 1 0 318.436 3.238 40 0 DGABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4cn3)C2)cn1 ZINC000012337384 431504401 /nfs/dbraw/zinc/50/44/01/431504401.db2.gz LMAXCHXFKRBXBQ-GOSISDBHSA-N 1 0 306.413 3.348 40 0 DGABRO Cc1ccc(OCC(=O)NCCC[NH+]2CCCCCC2)cc1C ZINC000013673621 431563176 /nfs/dbraw/zinc/56/31/76/431563176.db2.gz SCQXPQIEFHRCLK-UHFFFAOYSA-N 1 0 318.461 3.065 40 0 DGABRO C[C@@H]1Cc2cc(C[N@H+](CCO)Cc3cccs3)ccc2O1 ZINC000013997574 431575912 /nfs/dbraw/zinc/57/59/12/431575912.db2.gz IOGZJUJPPLVYTQ-CYBMUJFWSA-N 1 0 303.427 3.066 40 0 DGABRO COc1cccc(C[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)c1 ZINC000013998575 431576792 /nfs/dbraw/zinc/57/67/92/431576792.db2.gz ACKBHISIZNVNEE-UHFFFAOYSA-N 1 0 322.408 3.443 40 0 DGABRO C[C@H]1C[C@H](CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC(C)(C)C1 ZINC000078570623 431682516 /nfs/dbraw/zinc/68/25/16/431682516.db2.gz NIUIYONNBJSBMH-USXIJHARSA-N 1 0 306.494 3.439 40 0 DGABRO CCCCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039768443 431856267 /nfs/dbraw/zinc/85/62/67/431856267.db2.gz TWRHHTZVAPHROC-UHFFFAOYSA-N 1 0 306.425 3.344 40 0 DGABRO Cc1ccc(C)c(CC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000044900047 431879558 /nfs/dbraw/zinc/87/95/58/431879558.db2.gz ZADRMMLTSAQSSQ-UHFFFAOYSA-N 1 0 302.462 3.228 40 0 DGABRO c1cc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)co1 ZINC000096046944 431934945 /nfs/dbraw/zinc/93/49/45/431934945.db2.gz NAVOQRSEMVYFPF-LJQANCHMSA-N 1 0 311.429 3.163 40 0 DGABRO Cc1ccc(C[N@H+]2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)s1 ZINC000096057100 431936661 /nfs/dbraw/zinc/93/66/61/431936661.db2.gz CWKCCUZSYJXKDZ-JQHSSLGASA-N 1 0 320.502 3.132 40 0 DGABRO c1ccc(Cc2nnc([C@H]3CC[N@@H+](Cc4ccncc4)C3)o2)cc1 ZINC000049169856 431937083 /nfs/dbraw/zinc/93/70/83/431937083.db2.gz AUOXZKIMOASVKF-KRWDZBQOSA-N 1 0 320.396 3.045 40 0 biogenic,in-vitro DGABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2cccs2)N1c1ccsc1 ZINC000096055725 431937148 /nfs/dbraw/zinc/93/71/48/431937148.db2.gz TZISFZMYWHDBRZ-UONOGXRCSA-N 1 0 304.440 3.189 40 0 DGABRO CC[C@H](C)[N@@H+]1CCc2nc(N3CCCC3)nc(NC(C)C)c2C1 ZINC000096083708 431937642 /nfs/dbraw/zinc/93/76/42/431937642.db2.gz UDWVXMIVRNHUPV-AWEZNQCLSA-N 1 0 317.481 3.054 40 0 DGABRO O=C(Nc1ccccc1)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000096080586 431938125 /nfs/dbraw/zinc/93/81/25/431938125.db2.gz NCQOZIOIVVPREH-AEFFLSMTSA-N 1 0 307.397 3.035 40 0 DGABRO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096106386 431938828 /nfs/dbraw/zinc/93/88/28/431938828.db2.gz RVVUWPGITWPXHT-MRXNPFEDSA-N 1 0 309.475 3.403 40 0 DGABRO c1ccc(C[N@H+]2CC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cc1 ZINC000096107800 431938894 /nfs/dbraw/zinc/93/88/94/431938894.db2.gz KVFIAGLMNOHSFL-UXHICEINSA-N 1 0 324.424 3.032 40 0 DGABRO CO[C@@H]1CC[N@H+](Cc2nccs2)C[C@@H]1Cc1ccccc1 ZINC000096110151 431939088 /nfs/dbraw/zinc/93/90/88/431939088.db2.gz XPPWZDFPNOPESY-JKSUJKDBSA-N 1 0 302.443 3.223 40 0 DGABRO CO[C@@H]1CC[N@H+](Cc2cccc(C)n2)C[C@@H]1Cc1ccccc1 ZINC000096110153 431939244 /nfs/dbraw/zinc/93/92/44/431939244.db2.gz QYEQQIZEIILARP-AZUAARDMSA-N 1 0 310.441 3.470 40 0 DGABRO CC(C)(C)CC(=O)N1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC000096156920 431940412 /nfs/dbraw/zinc/94/04/12/431940412.db2.gz FHNZQMVZIOPFGK-UHFFFAOYSA-N 1 0 300.446 3.086 40 0 DGABRO CC(=O)N1CCC2(CCC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000096158517 431940787 /nfs/dbraw/zinc/94/07/87/431940787.db2.gz CZDNHWQKKZPORB-UHFFFAOYSA-N 1 0 300.446 3.220 40 0 DGABRO Cc1ccc(CN2CCc3c(COCC4CC4)cncc3C2)o1 ZINC000096189399 431941550 /nfs/dbraw/zinc/94/15/50/431941550.db2.gz VYVORNZUMNAGTR-UHFFFAOYSA-N 1 0 312.413 3.468 40 0 DGABRO COC[C@@H]1Cn2cncc2C[N@H+](Cc2cccc3ccccc32)C1 ZINC000096217326 431942258 /nfs/dbraw/zinc/94/22/58/431942258.db2.gz USXTUELYOGRYDB-INIZCTEOSA-N 1 0 321.424 3.315 40 0 DGABRO O=C(Cc1cccs1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096227897 431942844 /nfs/dbraw/zinc/94/28/44/431942844.db2.gz IRTGMFRRQNTVCA-UHFFFAOYSA-N 1 0 318.486 3.158 40 0 DGABRO CCOC[C@H]1CCC2(CCN(Cc3ccsc3)CC2)[N@@H+]1C ZINC000096216232 431942867 /nfs/dbraw/zinc/94/28/67/431942867.db2.gz UFAJMXHXEJEEKO-MRXNPFEDSA-N 1 0 308.491 3.213 40 0 DGABRO CCOC[C@@H]1CCC2(CCN(Cc3cccs3)CC2)[N@@H+]1C ZINC000096208833 431943167 /nfs/dbraw/zinc/94/31/67/431943167.db2.gz RNDKXIHORHBUDN-HNNXBMFYSA-N 1 0 308.491 3.213 40 0 DGABRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(C)C)cc1 ZINC000096248690 431943356 /nfs/dbraw/zinc/94/33/56/431943356.db2.gz ZYNICZSJINQBDR-MOPGFXCFSA-N 1 0 302.462 3.103 40 0 DGABRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC000051943385 431952789 /nfs/dbraw/zinc/95/27/89/431952789.db2.gz RHRIIQVZXVYVIE-AWEZNQCLSA-N 1 0 318.417 3.239 40 0 DGABRO CC[C@@H]([C@H]([NH3+])c1ccc(-c2ccccc2)cc1)S(C)(=O)=O ZINC000096524867 431955299 /nfs/dbraw/zinc/95/52/99/431955299.db2.gz CQIYIBYSVHLNNL-DLBZAZTESA-N 1 0 303.427 3.177 40 0 DGABRO CC[C@H]([C@H]([NH3+])c1ccc(-c2ccccc2)cc1)S(C)(=O)=O ZINC000096524868 431955693 /nfs/dbraw/zinc/95/56/93/431955693.db2.gz CQIYIBYSVHLNNL-IAGOWNOFSA-N 1 0 303.427 3.177 40 0 DGABRO c1cc2n(c1)[C@@H](COCc1ccncc1)C[N@@H+](C1CCCC1)C2 ZINC000253597003 432400471 /nfs/dbraw/zinc/40/04/71/432400471.db2.gz YWRHZPNJQDUTDP-LJQANCHMSA-N 1 0 311.429 3.399 40 0 DGABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)c1 ZINC000257219458 432417682 /nfs/dbraw/zinc/41/76/82/432417682.db2.gz DGVREHFJEJKETD-CQSZACIVSA-N 1 0 313.376 3.201 40 0 DGABRO CCn1cc(C[N@@H+]2CCC[C@@H](Cc3cccc(C)n3)C2)c(C)n1 ZINC000257214606 432417905 /nfs/dbraw/zinc/41/79/05/432417905.db2.gz CMPPTYRIABPXPX-KRWDZBQOSA-N 1 0 312.461 3.370 40 0 DGABRO Cc1csc(Nc2cc(C)nc([C@H]3CCC[N@@H+](C)C3)n2)n1 ZINC000257209392 432417964 /nfs/dbraw/zinc/41/79/64/432417964.db2.gz BQECITBXRFDPKL-LBPRGKRZSA-N 1 0 303.435 3.103 40 0 DGABRO c1cc(C[C@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000257232314 432421099 /nfs/dbraw/zinc/42/10/99/432421099.db2.gz GKIILHVYIYFKAB-OAHLLOKOSA-N 1 0 309.413 3.140 40 0 DGABRO CO[C@H]1CCCOC12CC[NH+](CCc1ccc(F)cc1)CC2 ZINC000257250130 432421953 /nfs/dbraw/zinc/42/19/53/432421953.db2.gz JLDHRVMPMYVNNB-KRWDZBQOSA-N 1 0 307.409 3.028 40 0 DGABRO COc1cccc(F)c1C[N@@H+]1CC[C@@H](c2nc(C)cc(C)n2)C1 ZINC000257242516 432423448 /nfs/dbraw/zinc/42/34/48/432423448.db2.gz ICWXSMLTVGHYPI-CQSZACIVSA-N 1 0 315.392 3.231 40 0 DGABRO Cc1nc([C@@H]2CCCCN2Cc2cscn2)cc2c[nH+]cn21 ZINC000257267208 432424595 /nfs/dbraw/zinc/42/45/95/432424595.db2.gz MGJPHSHIATZDQL-INIZCTEOSA-N 1 0 313.430 3.221 40 0 DGABRO Cc1nc([C@@H]2CCCCN2C(=O)c2ccccc2)cc2c[nH+]cn21 ZINC000257228290 281990018 /nfs/dbraw/zinc/99/00/18/281990018.db2.gz FTHVJJNQLYLXQT-SFHVURJKSA-N 1 0 320.396 3.405 40 0 DGABRO COc1cccc(CCCNC(=S)Nc2ccncc2)c1 ZINC000225555205 432694147 /nfs/dbraw/zinc/69/41/47/432694147.db2.gz HPXWLDSBKMVRAV-UHFFFAOYSA-N 1 0 301.415 3.009 40 0 DGABRO S=C(NCCOc1ccccc1Cl)Nc1ccncc1 ZINC000225780995 432697567 /nfs/dbraw/zinc/69/75/67/432697567.db2.gz MELDXSHQMCGXBX-UHFFFAOYSA-N 1 0 307.806 3.100 40 0 DGABRO COc1ccc(Cl)cc1C(=O)NCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000225039537 432685195 /nfs/dbraw/zinc/68/51/95/432685195.db2.gz UPOYVRKAGGSLMG-CHWSQXEVSA-N 1 0 324.852 3.056 40 0 DGABRO CC1CC[NH+](CCCNC(=S)Nc2cccc(F)c2)CC1 ZINC000225436045 432691294 /nfs/dbraw/zinc/69/12/94/432691294.db2.gz LTQVJYDSFDYXKN-UHFFFAOYSA-N 1 0 309.454 3.234 40 0 DGABRO C[C@@H]1CN([C@@H](C[NH3+])c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000037424738 297069081 /nfs/dbraw/zinc/06/90/81/297069081.db2.gz XKHZFFVTORRINN-RBZYPMLTSA-N 1 0 303.233 3.102 40 0 DGABRO CCOC(=O)C[n+]1c2ccccc2n(C)c1-c1ccc(C)cc1 ZINC000000388791 331462069 /nfs/dbraw/zinc/46/20/69/331462069.db2.gz TZOIAWRZJIJHTJ-UHFFFAOYSA-N 1 0 309.389 3.004 40 0 DGABRO CCCC[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2cncs2)CC1 ZINC000585100487 547024618 /nfs/dbraw/zinc/02/46/18/547024618.db2.gz LFXAFCKPDJBALY-KRWDZBQOSA-N 1 0 321.490 3.290 40 0 DGABRO COCC[C@H]1Cn2cccc2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000585094658 547025305 /nfs/dbraw/zinc/02/53/05/547025305.db2.gz RDCGNSUURVQFRF-MRXNPFEDSA-N 1 0 302.393 3.296 40 0 DGABRO CCOc1ccc(C[NH2+]Cc2ccnn2CC(F)(F)F)cc1 ZINC000256054521 575207659 /nfs/dbraw/zinc/20/76/59/575207659.db2.gz WQYSOEGPLNPUKR-UHFFFAOYSA-N 1 0 313.323 3.134 40 0 DGABRO Cc1nc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](C)C3)cc2)oc1C ZINC000006500432 1193317614 /nfs/dbraw/zinc/31/76/14/1193317614.db2.gz JEJGRYBUIYRIMA-OAHLLOKOSA-N 1 0 313.401 3.239 40 0 DGABRO C[NH+](C)CCN(Cc1ccncc1)Cc1ccc(Cl)cc1 ZINC000023247740 282097772 /nfs/dbraw/zinc/09/77/72/282097772.db2.gz GKROTWVZAOVSFS-UHFFFAOYSA-N 1 0 303.837 3.299 40 0 DGABRO CN1CCC2(CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)C1=O ZINC000430082949 530051339 /nfs/dbraw/zinc/05/13/39/530051339.db2.gz GIOWQWLEQMZTPJ-UHFFFAOYSA-N 1 0 312.457 3.010 40 0 DGABRO Fc1cccc(Nc2ccc3nc(C4CC[NH2+]CC4)nn3c2)c1 ZINC000107497258 185482291 /nfs/dbraw/zinc/48/22/91/185482291.db2.gz QWLPKIXMVUBOFQ-UHFFFAOYSA-N 1 0 311.364 3.079 40 0 DGABRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000072203929 191075747 /nfs/dbraw/zinc/07/57/47/191075747.db2.gz XHVIHPAHSMZJAP-ZIAGYGMSSA-N 1 0 305.422 3.132 40 0 DGABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C(F)(F)F ZINC000225586587 186280457 /nfs/dbraw/zinc/28/04/57/186280457.db2.gz HLRIEYNIUMLUPR-UHFFFAOYSA-N 1 0 316.323 3.052 40 0 DGABRO Cc1cc(C)c(C(=O)NCCC[NH+]2CCC(C)CC2)cc1C ZINC000225645975 186286759 /nfs/dbraw/zinc/28/67/59/186286759.db2.gz UNSYDAAQBVNALP-UHFFFAOYSA-N 1 0 302.462 3.464 40 0 DGABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Br)s1 ZINC000072324661 191123675 /nfs/dbraw/zinc/12/36/75/191123675.db2.gz DHYMOBDSLLFTKQ-GHMZBOCLSA-N 1 0 315.280 3.179 40 0 DGABRO c1cn(-c2nccnc2[C@H]2CCC[N@@H+](C3CCCCC3)C2)cn1 ZINC000072350476 191127809 /nfs/dbraw/zinc/12/78/09/191127809.db2.gz ZJAUAOZWWIGJQU-HNNXBMFYSA-N 1 0 311.433 3.174 40 0 DGABRO Cc1nccn1-c1nccnc1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000072350473 191127114 /nfs/dbraw/zinc/12/71/14/191127114.db2.gz RISBGLGIOYKMHN-OAHLLOKOSA-N 1 0 311.433 3.093 40 0 DGABRO Cc1ccccc1-c1noc([C@@H]2CC[N@H+](Cc3cccnc3)C2)n1 ZINC000072369937 191138868 /nfs/dbraw/zinc/13/88/68/191138868.db2.gz AHSSVUYRGYPCND-MRXNPFEDSA-N 1 0 320.396 3.430 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389909 191148115 /nfs/dbraw/zinc/14/81/15/191148115.db2.gz VYVVFJQQLZNVQE-KRWDZBQOSA-N 1 0 320.396 3.430 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389910 191148272 /nfs/dbraw/zinc/14/82/72/191148272.db2.gz VYVVFJQQLZNVQE-QGZVFWFLSA-N 1 0 320.396 3.430 40 0 DGABRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 ZINC000072395095 191149310 /nfs/dbraw/zinc/14/93/10/191149310.db2.gz XCVIBKWRVPGXRG-MAUKXSAKSA-N 1 0 300.402 3.493 40 0 DGABRO Cc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@H]21 ZINC000107249647 432029287 /nfs/dbraw/zinc/02/92/87/432029287.db2.gz NBHPFSUAVZIGRN-IEBWSBKVSA-N 1 0 321.424 3.343 40 0 DGABRO COc1ccc2cc(C[NH2+][C@H]3CCCC[C@H]3C)c(=O)[nH]c2c1 ZINC000004130508 181077284 /nfs/dbraw/zinc/07/72/84/181077284.db2.gz XRNWYVIHEPPHAR-WBMJQRKESA-N 1 0 300.402 3.205 40 0 DGABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)co1 ZINC000107711929 432037719 /nfs/dbraw/zinc/03/77/19/432037719.db2.gz IIGWTLYDUWSVMC-ROUUACIJSA-N 1 0 305.418 3.077 40 0 DGABRO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)c(F)c1 ZINC000004597868 181128467 /nfs/dbraw/zinc/12/84/67/181128467.db2.gz CANUBXZJGLXAEB-CZUORRHYSA-N 1 0 309.356 3.386 40 0 DGABRO O[C@H](c1ccccc1)[C@H](O)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000004742956 181146233 /nfs/dbraw/zinc/14/62/33/181146233.db2.gz NVPXWDVMTNNNKE-XUVXKRRUSA-N 1 0 311.425 3.308 40 0 DGABRO CCCCCOC(=O)c1cccc(NC(=O)C[NH2+]CCCC)c1 ZINC000004792047 181152597 /nfs/dbraw/zinc/15/25/97/181152597.db2.gz YOCJQJNPJSTUSJ-UHFFFAOYSA-N 1 0 320.433 3.362 40 0 DGABRO CC(=O)O[C@H](c1ccnc2ccccc21)[C@H]1CC2CC[NH+]1CC2 ZINC000004822394 181157435 /nfs/dbraw/zinc/15/74/35/181157435.db2.gz AQPAKLCDHXUDCB-RTBURBONSA-N 1 0 310.397 3.323 40 0 DGABRO O=C(C[NH2+]C1CCCC1)NC(c1ccccc1)c1ccccc1 ZINC000004894414 181169499 /nfs/dbraw/zinc/16/94/99/181169499.db2.gz WZJMRRJPAKYZGD-UHFFFAOYSA-N 1 0 308.425 3.424 40 0 DGABRO CC(C)(C)c1cc(CC2([NH2+]CC3CCCCC3)COC2)no1 ZINC000067897835 432045461 /nfs/dbraw/zinc/04/54/61/432045461.db2.gz WYIICGFYVVEJAQ-UHFFFAOYSA-N 1 0 306.450 3.454 40 0 biogenic,in-vitro DGABRO CC(C)Cc1cc(CC2([NH2+]CC3CCCCC3)COC2)no1 ZINC000067898211 432045850 /nfs/dbraw/zinc/04/58/50/432045850.db2.gz DAFVNIJPCZBSJD-UHFFFAOYSA-N 1 0 306.450 3.355 40 0 biogenic,in-vitro DGABRO C[NH+](C)CCCNC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006007348 181305426 /nfs/dbraw/zinc/30/54/26/181305426.db2.gz YFZDLRBZVVJEID-MNDPQUGUSA-N 1 0 308.425 3.295 40 0 DGABRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257328908 203052213 /nfs/dbraw/zinc/05/22/13/203052213.db2.gz XHOFEHVCWWOSRI-KRWDZBQOSA-N 1 0 319.412 3.165 40 0 DGABRO O=C(c1ccccn1)N1[C@H](c2ccccc2)C[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257313364 203039493 /nfs/dbraw/zinc/03/94/93/203039493.db2.gz USCKVWKXHDCCMC-QYZOEREBSA-N 1 0 321.424 3.180 40 0 DGABRO Cc1nc(Nc2cc([C@@H]3CC[N@@H+](C)C3)nc(C)n2)sc1C ZINC000257317666 203040125 /nfs/dbraw/zinc/04/01/25/203040125.db2.gz VKRLCHMQHPJEKR-GFCCVEGCSA-N 1 0 303.435 3.021 40 0 DGABRO Cc1nc([C@H]2CCCCN2C(=O)C(C)(C)C)cc2c[nH+]cn21 ZINC000257326750 203050166 /nfs/dbraw/zinc/05/01/66/203050166.db2.gz WYLPLJBYBGTCNX-OAHLLOKOSA-N 1 0 300.406 3.137 40 0 DGABRO Fc1ccc(C[C@H]2CC3(C[NH+](Cc4ccncc4)C3)CO2)cc1 ZINC000257339293 203060841 /nfs/dbraw/zinc/06/08/41/203060841.db2.gz ZBCCZSIAIXHQMK-SFHVURJKSA-N 1 0 312.388 3.054 40 0 DGABRO CNc1nccc([C@H]2CCCC[N@@H+]2Cc2cccc(OC)c2)n1 ZINC000257341086 203063341 /nfs/dbraw/zinc/06/33/41/203063341.db2.gz ZIUJHZZJDALZEH-QGZVFWFLSA-N 1 0 312.417 3.254 40 0 DGABRO FC(F)(F)c1cccc(Cc2ccc([C@H]3C[NH2+]CCO3)nc2)c1 ZINC000257342267 203065276 /nfs/dbraw/zinc/06/52/76/203065276.db2.gz ZNVJHGBVVSHMLD-MRXNPFEDSA-N 1 0 322.330 3.352 40 0 DGABRO c1ccc(CO[C@H]2COC3(C2)CC[NH+](CC2CC2)CC3)cc1 ZINC000096047868 193500517 /nfs/dbraw/zinc/50/05/17/193500517.db2.gz RFQLHTKSRPYUMG-GOSISDBHSA-N 1 0 301.430 3.237 40 0 DGABRO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000029474324 284291753 /nfs/dbraw/zinc/29/17/53/284291753.db2.gz JUKMAYKVHWKRKY-QWHCGFSZSA-N 1 0 302.201 3.392 40 0 DGABRO CC(=O)NC1CC[NH+](CC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000019021222 182103891 /nfs/dbraw/zinc/10/38/91/182103891.db2.gz AHDJHOWADFMHBL-UHFFFAOYSA-N 1 0 318.436 3.238 40 0 DGABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](CC4CCCCC4)C[C@H]32)nc1 ZINC000019215967 182108326 /nfs/dbraw/zinc/10/83/26/182108326.db2.gz MPXJSXWLSZMOCY-NSHGMRRFSA-N 1 0 314.473 3.500 40 0 DGABRO COc1ccccc1CN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019359710 182118757 /nfs/dbraw/zinc/11/87/57/182118757.db2.gz UOKVAMYHHWWGJP-ZIFCJYIRSA-N 1 0 312.457 3.025 40 0 DGABRO CC[NH+](CC)CCN1CSC(=S)N(Cc2ccccc2)C1 ZINC000019364681 182119234 /nfs/dbraw/zinc/11/92/34/182119234.db2.gz CUKWCGLNAHPBJC-UHFFFAOYSA-N 1 0 323.531 3.079 40 0 DGABRO COc1cccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019565324 182130460 /nfs/dbraw/zinc/13/04/60/182130460.db2.gz LSCJARFBTCSRKH-NEWSRXKRSA-N 1 0 312.457 3.025 40 0 DGABRO Cc1noc(C)c1C(=O)N1CCC(c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000019579874 182130824 /nfs/dbraw/zinc/13/08/24/182130824.db2.gz TUCAGLOMSGIREI-UHFFFAOYSA-N 1 0 324.384 3.188 40 0 DGABRO Cc1cc(C)n(-c2cccc(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)c2)n1 ZINC000019574805 182131247 /nfs/dbraw/zinc/13/12/47/182131247.db2.gz CDDJIMDNYZXHOL-FXAWDEMLSA-N 1 0 324.472 3.158 40 0 DGABRO Fc1ccccc1CN1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019842417 182155645 /nfs/dbraw/zinc/15/56/45/182155645.db2.gz MPKNCPVSEPNVPJ-RYRKJORJSA-N 1 0 300.421 3.156 40 0 DGABRO Fc1cccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019789362 182149041 /nfs/dbraw/zinc/14/90/41/182149041.db2.gz AZSDHGDESITJQU-NJAFHUGGSA-N 1 0 300.421 3.156 40 0 DGABRO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000019831689 182154878 /nfs/dbraw/zinc/15/48/78/182154878.db2.gz KXTSFORODAANHT-FGTMMUONSA-N 1 0 321.468 3.498 40 0 DGABRO COc1cc2c(c(C)c1OC)[C@@H](Cc1ccc(O)cc1)[NH2+]CC2 ZINC000024717672 182388878 /nfs/dbraw/zinc/38/88/78/182388878.db2.gz YSMUOYHZXXHUDU-MRXNPFEDSA-N 1 0 313.397 3.147 40 0 DGABRO CC(C)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038832389 183011324 /nfs/dbraw/zinc/01/13/24/183011324.db2.gz KTYVTJHAIHZVQH-OAHLLOKOSA-N 1 0 308.853 3.324 40 0 DGABRO O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832767 183011622 /nfs/dbraw/zinc/01/16/22/183011622.db2.gz YSBZUCBAAFRCEM-LJQANCHMSA-N 1 0 308.425 3.215 40 0 DGABRO Cc1cc([C@H]2CCCC[N@H+]2CC(C)C)cnc1N1CCOCC1 ZINC000072219363 257124374 /nfs/dbraw/zinc/12/43/74/257124374.db2.gz GCVZFSHFJBDAMU-GOSISDBHSA-N 1 0 317.477 3.410 40 0 DGABRO CCC[N@@H+]1CCCC[C@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219419 257124431 /nfs/dbraw/zinc/12/44/31/257124431.db2.gz FPQLCYJHPRPCBE-KRWDZBQOSA-N 1 0 303.450 3.164 40 0 DGABRO Cc1cc([C@@H]2CCCC[N@H+]2C(C)C)cnc1N1CCOCC1 ZINC000072219360 257124472 /nfs/dbraw/zinc/12/44/72/257124472.db2.gz NSVFESPTSAKIAK-KRWDZBQOSA-N 1 0 303.450 3.162 40 0 DGABRO c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2N2CCOCC2)cc1 ZINC000072216212 257125403 /nfs/dbraw/zinc/12/54/03/257125403.db2.gz NEYRVEFZNJBIQE-IBGZPJMESA-N 1 0 323.440 3.255 40 0 DGABRO Brc1ccc(-c2nc([C@@H]3CCCCN3)no2)cc1 ZINC000040443334 257129923 /nfs/dbraw/zinc/12/99/23/257129923.db2.gz VRYMDAKGUVNNDJ-NSHDSACASA-N 1 0 308.179 3.314 40 0 DGABRO O=C1CCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000253616007 257104855 /nfs/dbraw/zinc/10/48/55/257104855.db2.gz MHLMBYWVPBTMRI-ZVDOUQERSA-N 1 0 320.436 3.323 40 0 DGABRO CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)C[NH2+]Cc1cccs1 ZINC000005000537 257230601 /nfs/dbraw/zinc/23/06/01/257230601.db2.gz LDSTYEMLHGTVDP-IIYDPXPESA-N 1 0 306.475 3.169 40 0 DGABRO c1cc2n(n1)[C@@H](CCOc1cccnc1)C[N@@H+](C1CCCC1)C2 ZINC000253588908 257233299 /nfs/dbraw/zinc/23/32/99/257233299.db2.gz YQVLHDWEXDBJMI-KRWDZBQOSA-N 1 0 312.417 3.047 40 0 DGABRO COCC[C@@H]1CCOC12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000585103100 400125290 /nfs/dbraw/zinc/12/52/90/400125290.db2.gz QADOZAAYJWTXTG-QGZVFWFLSA-N 1 0 319.445 3.103 40 0 DGABRO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](C(C)C)C[C@@H]32)o1 ZINC000585109779 400126064 /nfs/dbraw/zinc/12/60/64/400126064.db2.gz SXQGERGXYMOJKF-JENIJYKNSA-N 1 0 324.424 3.497 40 0 DGABRO C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccn1 ZINC000585108943 400126148 /nfs/dbraw/zinc/12/61/48/400126148.db2.gz GZOCEMXSAOCPQS-SNRMKQJTSA-N 1 0 321.424 3.018 40 0 DGABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000585288855 400130122 /nfs/dbraw/zinc/13/01/22/400130122.db2.gz KFVZBXYNISTPPJ-IPMKNSEASA-N 1 0 315.388 3.276 40 0 DGABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]C1CCCCC1 ZINC000585283823 400131053 /nfs/dbraw/zinc/13/10/53/400131053.db2.gz FBFKWMNMWLGQPH-RCCFBDPRSA-N 1 0 307.409 3.409 40 0 DGABRO CCOC(=O)[C@H](CN)[C@@]1([NH+](CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351941 400949465 /nfs/dbraw/zinc/94/94/65/400949465.db2.gz OCKDPBVSIVVMTJ-LNMJFAINSA-N 1 0 324.509 3.051 40 0 DGABRO O=C1N(c2ccccc2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000096202912 275021389 /nfs/dbraw/zinc/02/13/89/275021389.db2.gz MLQIWBWCXOTNCD-UHFFFAOYSA-N 1 0 312.438 3.377 40 0 DGABRO O=C1Nc2ccccc2C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000109851348 275024931 /nfs/dbraw/zinc/02/49/31/275024931.db2.gz KPMRZKSKGQKESL-UHFFFAOYSA-N 1 0 310.372 3.312 40 0 DGABRO C[NH+](C)CCCn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000005718016 276785437 /nfs/dbraw/zinc/78/54/37/276785437.db2.gz NNXJQUWLMNNQBI-UHFFFAOYSA-N 1 0 307.397 3.015 40 0 DGABRO COCC[C@@H]1CCOC12CC[NH+](Cc1ccccc1C)CC2 ZINC000248168547 277548588 /nfs/dbraw/zinc/54/85/88/277548588.db2.gz UFEJDKPVHPYXNQ-GOSISDBHSA-N 1 0 303.446 3.403 40 0 DGABRO CC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(F)cc1 ZINC000001469910 431229732 /nfs/dbraw/zinc/22/97/32/431229732.db2.gz ZZOZLKXQFLFSQC-KRWDZBQOSA-N 1 0 303.377 3.088 40 0 DGABRO COc1ccc2c(c1)[C@@](O)(C[NH3+])CCCC[C@H](OC)CCCC2 ZINC000001584364 431231617 /nfs/dbraw/zinc/23/16/17/431231617.db2.gz SKTRNYRPGRIKCS-APWZRJJASA-N 1 0 321.461 3.143 40 0 DGABRO [NH3+]Cc1c(-c2ccc(Br)cc2)nc2sccn12 ZINC000002510954 431253986 /nfs/dbraw/zinc/25/39/86/431253986.db2.gz RBHGFZMBPWDIAR-UHFFFAOYSA-N 1 0 308.204 3.284 40 0 DGABRO c1ccc(C2(c3ccccc3)OC[C@@H]([C@@H]3CCCC[NH2+]3)O2)cc1 ZINC000003080605 431281836 /nfs/dbraw/zinc/28/18/36/431281836.db2.gz HGKAMARNFGKMLC-OALUTQOASA-N 1 0 309.409 3.445 40 0 in-man DGABRO COc1ccc(/C=C/c2cc[n+](C)cc2)cc1C[NH+]1CCCC1 ZINC000005002269 431305571 /nfs/dbraw/zinc/30/55/71/431305571.db2.gz RSQRQEYQIBTLDM-AATRIKPKSA-N 1 0 309.433 3.286 40 0 DGABRO CCOc1cc(C[NH2+]C2CC2)cc(Br)c1OCC ZINC000008253808 431388601 /nfs/dbraw/zinc/38/86/01/431388601.db2.gz QOYQINPHBWFBHF-UHFFFAOYSA-N 1 0 314.223 3.499 40 0 DGABRO C[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000008498042 431399097 /nfs/dbraw/zinc/39/90/97/431399097.db2.gz RTZBRVKLHWKFSR-ZDUSSCGKSA-N 1 0 305.805 3.389 40 0 DGABRO O=C(CCCOc1ccccc1)NCCC[NH+]1CCCCCC1 ZINC000010111317 431454052 /nfs/dbraw/zinc/45/40/52/431454052.db2.gz DGYALJQHUJMUOD-UHFFFAOYSA-N 1 0 318.461 3.228 40 0 DGABRO Cc1ccc(S[C@H](C)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000010277119 431457960 /nfs/dbraw/zinc/45/79/60/431457960.db2.gz RMWHCSULYXPAAX-MRXNPFEDSA-N 1 0 320.502 3.468 40 0 DGABRO CCCc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000012170196 431493984 /nfs/dbraw/zinc/49/39/84/431493984.db2.gz WZKBTNVVFFZMCN-JZXOWHBKSA-N 1 0 305.462 3.357 40 0 DGABRO O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000012183916 431496336 /nfs/dbraw/zinc/49/63/36/431496336.db2.gz WQLWTTFVLMBDGE-CYBMUJFWSA-N 1 0 314.410 3.493 40 0 DGABRO C=Cn1cc(C[NH+]2CCC(O)(c3ccccc3C)CC2)c(C)n1 ZINC000012188732 431497647 /nfs/dbraw/zinc/49/76/47/431497647.db2.gz GXEVWDPUBWOILS-UHFFFAOYSA-N 1 0 311.429 3.084 40 0 DGABRO COc1cc2c(cc1C[N@H+](CCO)Cc1cccs1)CCC2 ZINC000013997569 431577300 /nfs/dbraw/zinc/57/73/00/431577300.db2.gz JXEHDLBSNBOJLK-UHFFFAOYSA-N 1 0 317.454 3.240 40 0 DGABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccnc2)o1 ZINC000036740244 431841239 /nfs/dbraw/zinc/84/12/39/431841239.db2.gz FYZQDRRYKPVXSP-UHFFFAOYSA-N 1 0 310.401 3.272 40 0 DGABRO C[C@H]1CN([C@@H](C[NH3+])c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000037424739 431847176 /nfs/dbraw/zinc/84/71/76/431847176.db2.gz XKHZFFVTORRINN-BHDSKKPTSA-N 1 0 303.233 3.102 40 0 DGABRO CC(C)(C)C(=O)Oc1ccc(CC[NH3+])cc1OC(=O)C(C)(C)C ZINC000034264391 431819638 /nfs/dbraw/zinc/81/96/38/431819638.db2.gz YERQWGUWIPSYAS-UHFFFAOYSA-N 1 0 321.417 3.091 40 0 DGABRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(Cl)cc1 ZINC000035291731 431828961 /nfs/dbraw/zinc/82/89/61/431828961.db2.gz FWMBFLKMSWCYHJ-VHRNVKJDSA-N 1 0 304.821 3.228 40 0 DGABRO Fc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000035312300 431830308 /nfs/dbraw/zinc/83/03/08/431830308.db2.gz GLRBSMHCJKBRGT-VHRNVKJDSA-N 1 0 319.449 3.270 40 0 DGABRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000035957512 431833084 /nfs/dbraw/zinc/83/30/84/431833084.db2.gz MGEIOVHGRIXQGR-UHFFFAOYSA-N 1 0 308.397 3.315 40 0 DGABRO FC(F)(F)c1ccc2nc(N3CC[NH2+]CC3)cc(Cl)c2c1 ZINC000090484438 431892778 /nfs/dbraw/zinc/89/27/78/431892778.db2.gz DXUNVBWEXDUVSF-UHFFFAOYSA-N 1 0 315.726 3.317 40 0 DGABRO Cc1ccsc1C[N@H+]1CC[C@H]2O[C@H](c3nnc(C)o3)CC[C@H]21 ZINC000096040915 431934797 /nfs/dbraw/zinc/93/47/97/431934797.db2.gz NAOIZLFJJHBBIO-MCIONIFRSA-N 1 0 319.430 3.243 40 0 DGABRO CCC[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)[C@H]1CC ZINC000096045698 431935512 /nfs/dbraw/zinc/93/55/12/431935512.db2.gz WOVQBMJDOQRWCG-MJGOQNOKSA-N 1 0 315.461 3.227 40 0 DGABRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccco4)C3)C2=O)c1 ZINC000096050559 431935734 /nfs/dbraw/zinc/93/57/34/431935734.db2.gz HBGXOYYQNHVLJF-FQEVSTJZSA-N 1 0 324.424 3.213 40 0 DGABRO Cc1ccc(C[NH+]2CCC3(CCN(CC(C)C)C3=O)CC2)o1 ZINC000096046767 431935898 /nfs/dbraw/zinc/93/58/98/431935898.db2.gz WZROBOUZEVFFBM-UHFFFAOYSA-N 1 0 304.434 3.059 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)o1 ZINC000096056616 431936513 /nfs/dbraw/zinc/93/65/13/431936513.db2.gz TWNRZEKHTSZFFF-QZTJIDSGSA-N 1 0 310.397 3.358 40 0 DGABRO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccc(F)cc2)N1c1ccsc1 ZINC000096055731 431936730 /nfs/dbraw/zinc/93/67/30/431936730.db2.gz WJQCFYLJDSIQQN-JKSUJKDBSA-N 1 0 316.401 3.267 40 0 DGABRO c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccn4)C3)o2)cc1 ZINC000049169351 431936990 /nfs/dbraw/zinc/93/69/90/431936990.db2.gz OPGPUVICNWDFFI-HNNXBMFYSA-N 1 0 306.369 3.121 40 0 biogenic,in-vitro DGABRO CCn1cc2c(n1)[C@@H](COC)C[N@@H+](Cc1ccc(C)s1)C2 ZINC000096059883 431937094 /nfs/dbraw/zinc/93/70/94/431937094.db2.gz PKUHKPWGBVMCTE-CQSZACIVSA-N 1 0 305.447 3.019 40 0 DGABRO c1cncc(COC[C@H]2CC3(CO2)CC[NH+](C2CCC2)CC3)c1 ZINC000096106157 431938888 /nfs/dbraw/zinc/93/88/88/431938888.db2.gz MRFYQGIHRDRDSW-GOSISDBHSA-N 1 0 316.445 3.022 40 0 DGABRO CO[C@H]1CC[N@H+](Cc2c(C)noc2C)C[C@@H]1Cc1ccccc1 ZINC000096110473 431939046 /nfs/dbraw/zinc/93/90/46/431939046.db2.gz XXXCGENUPPUXQP-HKUYNNGSSA-N 1 0 314.429 3.371 40 0 DGABRO CCOC[C@@H]1CC2(CO1)CC[NH+](Cc1ccccc1OC)CC2 ZINC000096105900 431939093 /nfs/dbraw/zinc/93/90/93/431939093.db2.gz WPWIBWSVYJLPKB-KRWDZBQOSA-N 1 0 319.445 3.103 40 0 DGABRO CO[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@@H]1Cc1ccccc1 ZINC000096110152 431939152 /nfs/dbraw/zinc/93/91/52/431939152.db2.gz XXXCGENUPPUXQP-PKOBYXMFSA-N 1 0 314.429 3.371 40 0 DGABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000096106541 431939199 /nfs/dbraw/zinc/93/91/99/431939199.db2.gz WCSFQGXSWXZUJB-KRWDZBQOSA-N 1 0 312.413 3.005 40 0 DGABRO c1cc(C[NH+]2CCC3(CO[C@H](COCC4CC4)C3)CC2)co1 ZINC000096105963 431939252 /nfs/dbraw/zinc/93/92/52/431939252.db2.gz OBYMXCUXOZEOHK-KRWDZBQOSA-N 1 0 305.418 3.077 40 0 DGABRO Cc1ccc(C(=O)N2CCC3(CC([NH+]4CCCC4)C3)CC2)cc1 ZINC000096159219 431940485 /nfs/dbraw/zinc/94/04/85/431940485.db2.gz NTKUAERUIGHJBX-UHFFFAOYSA-N 1 0 312.457 3.476 40 0 DGABRO O=C(c1ccc(F)cc1)N1CCC2(CC([NH+]3CCCC3)C2)CC1 ZINC000096159220 431940553 /nfs/dbraw/zinc/94/05/53/431940553.db2.gz QUEAIKJAMXSNGH-UHFFFAOYSA-N 1 0 316.420 3.306 40 0 DGABRO c1ccc(C[NH+]2CCC3(CC(Oc4cccnc4)C3)CC2)nc1 ZINC000096159348 431940713 /nfs/dbraw/zinc/94/07/13/431940713.db2.gz HQIFCIQMPJCELK-UHFFFAOYSA-N 1 0 309.413 3.300 40 0 DGABRO O=C(c1ccc(F)cc1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096159387 431940982 /nfs/dbraw/zinc/94/09/82/431940982.db2.gz BQRPLROUJUQIJW-UHFFFAOYSA-N 1 0 316.420 3.306 40 0 DGABRO COC[C@@H]1c2c(cnn2CC2CC2)CCN1Cc1cccs1 ZINC000096197851 431941331 /nfs/dbraw/zinc/94/13/31/431941331.db2.gz QPLYZOZSBPMBTF-MRXNPFEDSA-N 1 0 317.458 3.100 40 0 DGABRO c1csc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)c1 ZINC000096189084 431941437 /nfs/dbraw/zinc/94/14/37/431941437.db2.gz KTEXJUYKJHQNRK-OAHLLOKOSA-N 1 0 317.458 3.003 40 0 DGABRO CCOC[C@@H]1CCC2(CCN(Cc3ccsc3)CC2)[N@@H+]1C ZINC000096216230 431942280 /nfs/dbraw/zinc/94/22/80/431942280.db2.gz UFAJMXHXEJEEKO-INIZCTEOSA-N 1 0 308.491 3.213 40 0 DGABRO COC[C@H]1COCCC12CC[NH+](Cc1ccccc1C)CC2 ZINC000096207306 431942341 /nfs/dbraw/zinc/94/23/41/431942341.db2.gz PBQFWBWBBVIBKE-SFHVURJKSA-N 1 0 303.446 3.260 40 0 DGABRO CCOC[C@H]1CCC2(CCN(Cc3cccs3)CC2)[N@@H+]1C ZINC000096208834 431942434 /nfs/dbraw/zinc/94/24/34/431942434.db2.gz RNDKXIHORHBUDN-OAHLLOKOSA-N 1 0 308.491 3.213 40 0 DGABRO O=C(NC1CC1)C1=CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096241624 431942461 /nfs/dbraw/zinc/94/24/61/431942461.db2.gz ZTGVURHHESHZMN-UHFFFAOYSA-N 1 0 322.452 3.106 40 0 DGABRO CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3cccs3)C2)C1 ZINC000096215291 431942540 /nfs/dbraw/zinc/94/25/40/431942540.db2.gz RDKZIIFTUFFKDX-GOSISDBHSA-N 1 0 320.502 3.261 40 0 DGABRO c1coc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)c1 ZINC000096200543 431942998 /nfs/dbraw/zinc/94/29/98/431942998.db2.gz VZDANAUXTXQWEY-OALUTQOASA-N 1 0 312.413 3.287 40 0 DGABRO c1csc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c1 ZINC000096255149 431943657 /nfs/dbraw/zinc/94/36/57/431943657.db2.gz MKPLJFNGVJBLIL-UHFFFAOYSA-N 1 0 311.410 3.399 40 0 DGABRO c1cc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)cs1 ZINC000096255228 431944136 /nfs/dbraw/zinc/94/41/36/431944136.db2.gz NXELUQNINKYGJI-UHFFFAOYSA-N 1 0 322.437 3.201 40 0 DGABRO c1cncc(OCC[C@@H]2CCOC23CC[NH+](C2CCC2)CC3)c1 ZINC000253588735 432400408 /nfs/dbraw/zinc/40/04/08/432400408.db2.gz QEQMZIWZLZDQDT-MRXNPFEDSA-N 1 0 316.445 3.274 40 0 DGABRO Cc1n[nH]c(C)c1-c1cnc(CC2CC[NH+](C(C)C)CC2)cn1 ZINC000257229166 432420540 /nfs/dbraw/zinc/42/05/40/432420540.db2.gz FWYDCECJBLRNCD-UHFFFAOYSA-N 1 0 313.449 3.146 40 0 DGABRO CO[C@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@@]12CCCO2 ZINC000257226851 432420735 /nfs/dbraw/zinc/42/07/35/432420735.db2.gz FMKZVEMCRMVDRF-HKUYNNGSSA-N 1 0 312.413 3.005 40 0 DGABRO Fc1ccccc1OCCC[N@@H+]1CCC[C@H](c2cnccn2)C1 ZINC000257234459 432421003 /nfs/dbraw/zinc/42/10/03/432421003.db2.gz GTPLKUUUOFSIAB-HNNXBMFYSA-N 1 0 315.392 3.264 40 0 DGABRO COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C)C2)c1F ZINC000257238100 432423053 /nfs/dbraw/zinc/42/30/53/432423053.db2.gz HJPDWEFNZYROFS-AWEZNQCLSA-N 1 0 303.381 3.245 40 0 DGABRO Cc1cc(N)nc([C@]2(C)CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000257271848 432424736 /nfs/dbraw/zinc/42/47/36/432424736.db2.gz MZZZDHHFUHDUSR-IBGZPJMESA-N 1 0 321.428 3.360 40 0 DGABRO Cn1cnc(C[N@@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)c1 ZINC000257284862 432425083 /nfs/dbraw/zinc/42/50/83/432425083.db2.gz PEQKWAVKXRZRLM-HNNXBMFYSA-N 1 0 306.413 3.033 40 0 DGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCc2nc3cc(C(=O)[O-])ccc3[nH]2)C1 ZINC000225296521 432688354 /nfs/dbraw/zinc/68/83/54/432688354.db2.gz YIQDNJZAJZLZHV-BETUJISGSA-N 1 0 315.417 3.172 40 0 DGABRO C[C@@H]1CCCC[N@@H+]1CCCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000225294710 432688641 /nfs/dbraw/zinc/68/86/41/432688641.db2.gz STTOTRGXICYGMA-GFCCVEGCSA-N 1 0 301.390 3.068 40 0 DGABRO Cc1cscc1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000376095199 433664596 /nfs/dbraw/zinc/66/45/96/433664596.db2.gz MYSPMHOUCCHHII-UHFFFAOYSA-N 1 0 301.459 3.206 40 0 DGABRO Clc1cccc(Cl)c1N(C1=[NH+]CCN1)[C@H]1CCCCO1 ZINC000031297751 294112836 /nfs/dbraw/zinc/11/28/36/294112836.db2.gz NYQGJEQCYOJBPV-GFCCVEGCSA-N 1 0 314.216 3.286 40 0 in-man DGABRO CNc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C2CC2)[nH+]1 ZINC000329063920 434354839 /nfs/dbraw/zinc/35/48/39/434354839.db2.gz XGMHSXDSSPIAPW-UHFFFAOYSA-N 1 0 308.429 3.694 40 0 DGABRO Cc1cc(C)c2c(N[C@@H](C)C3CCC(C[NH3+])CC3)n[nH]c2n1 ZINC000257264490 301207265 /nfs/dbraw/zinc/20/72/65/301207265.db2.gz LUPSTFAMEUUQQA-HSBZDZAISA-N 1 0 301.438 3.140 40 0 DGABRO O=C1CC[C@@]2(CCC[N@H+](Cc3cccc(F)c3)CC2)N1CCF ZINC000585100259 547025317 /nfs/dbraw/zinc/02/53/17/547025317.db2.gz JDDNHNMYXSBGJQ-GOSISDBHSA-N 1 0 322.399 3.142 40 0 DGABRO CC(C)(C)OC(=O)[C@@H](N)Cc1cccc(F)c1C(F)(F)F ZINC000199831734 563516214 /nfs/dbraw/zinc/51/62/14/563516214.db2.gz WGMCWXSVOQYLPY-JTQLQIEISA-N 1 0 307.287 3.056 40 0 DGABRO CCOC(C[NH2+]Cc1ccc(F)c(Br)c1)OCC ZINC000105762886 1176722438 /nfs/dbraw/zinc/72/24/38/1176722438.db2.gz RIKNNBCVBHVTGB-UHFFFAOYSA-N 1 0 320.202 3.077 40 0 DGABRO c1cc(OC2CCCCC2)ncc1-c1noc([C@@H]2CCC[NH2+]2)n1 ZINC000035425543 1177369108 /nfs/dbraw/zinc/36/91/08/1177369108.db2.gz PMMNKDHGHHKLTK-AWEZNQCLSA-N 1 0 314.389 3.268 40 0 biogenic,in-vitro DGABRO CCOC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1c1ccc(F)cc1F ZINC000138499199 1177370064 /nfs/dbraw/zinc/37/00/64/1177370064.db2.gz BWWLLGQSYULNNY-UONOGXRCSA-N 1 0 311.372 3.342 40 0 DGABRO CC(C)CC[N@@H+]1CCC[C@@H](OCCc2noc(C3CC3)n2)C1 ZINC001772495017 1197720170 /nfs/dbraw/zinc/72/01/70/1197720170.db2.gz GZSJBKVDIODTFI-OAHLLOKOSA-N 1 0 307.438 3.017 40 0 DGABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)OCc1ccccc1 ZINC000309882794 1199711453 /nfs/dbraw/zinc/71/14/53/1199711453.db2.gz KCTMWICTANZANU-MJQMVNBJSA-N 1 0 314.429 3.318 40 0 DGABRO CCOc1cccc(NC(=S)NCCC[NH+]2CCCCC2)c1 ZINC000225410534 201703425 /nfs/dbraw/zinc/70/34/25/201703425.db2.gz BAGAZESVWDNCHQ-UHFFFAOYSA-N 1 0 321.490 3.248 40 0 DGABRO c1cc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)co1 ZINC000306133952 231088632 /nfs/dbraw/zinc/08/86/32/231088632.db2.gz NAFLIOPQGUPNNO-ROUUACIJSA-N 1 0 319.408 3.447 40 0 DGABRO C[N@@H+]1CCC[C@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 ZINC000306134467 530061509 /nfs/dbraw/zinc/06/15/09/530061509.db2.gz NOQSLUIAFGHJRK-HNNXBMFYSA-N 1 0 310.376 3.345 40 0 DGABRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000225587098 186280438 /nfs/dbraw/zinc/28/04/38/186280438.db2.gz XLXDXLSFRBDMPB-UHFFFAOYSA-N 1 0 316.323 3.052 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C)cn1 ZINC000225584870 186280619 /nfs/dbraw/zinc/28/06/19/186280619.db2.gz POYXCCVPBFAWPK-HNNXBMFYSA-N 1 0 320.506 3.331 40 0 DGABRO Cc1nccn1-c1nccnc1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000072350474 191127274 /nfs/dbraw/zinc/12/72/74/191127274.db2.gz RISBGLGIOYKMHN-HNNXBMFYSA-N 1 0 311.433 3.093 40 0 DGABRO c1cn(-c2cncc(C3CC[NH+](Cc4ccccc4)CC3)n2)cn1 ZINC000072355454 191128430 /nfs/dbraw/zinc/12/84/30/191128430.db2.gz GRZRWGARIIMYMA-UHFFFAOYSA-N 1 0 319.412 3.042 40 0 DGABRO c1cnc(Nc2nccnc2[C@@H]2CCC[N@H+]2C2CCCC2)cn1 ZINC000072363425 191131836 /nfs/dbraw/zinc/13/18/36/191131836.db2.gz HNWFBIMAMJSTNV-AWEZNQCLSA-N 1 0 310.405 3.090 40 0 DGABRO CC(C)[N@@H+]1CCC[C@@H](c2nccnc2Nc2nccs2)C1 ZINC000072364729 191133035 /nfs/dbraw/zinc/13/30/35/191133035.db2.gz GRRZYFMLRPBDII-GFCCVEGCSA-N 1 0 303.435 3.265 40 0 DGABRO c1cc2ccc(C[N@H+]3CCOC[C@@H](Cc4ccccn4)C3)cc2[nH]1 ZINC000072388196 191146344 /nfs/dbraw/zinc/14/63/44/191146344.db2.gz FRMPDUMCUWWSSV-KRWDZBQOSA-N 1 0 321.424 3.254 40 0 DGABRO CC(C)[NH2+]C[C@@H](O)COc1ccccc1[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000004212179 181085202 /nfs/dbraw/zinc/08/52/02/181085202.db2.gz NACJSVRGPPMZRS-KYHPRHEASA-N 1 0 303.446 3.328 40 0 in-man DGABRO CC1CC[NH+](CCCNC(=O)c2cc3sccc3n2C)CC1 ZINC000004356374 181101815 /nfs/dbraw/zinc/10/18/15/181101815.db2.gz GGXZZUDHNKZPOV-UHFFFAOYSA-N 1 0 319.474 3.092 40 0 DGABRO COc1ccccc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000067801111 432040745 /nfs/dbraw/zinc/04/07/45/432040745.db2.gz KECVCJOKIGIRBF-UHFFFAOYSA-N 1 0 320.433 3.184 40 0 DGABRO FC(F)(F)c1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000067800350 432041341 /nfs/dbraw/zinc/04/13/41/432041341.db2.gz YQAXGAWZSCESBQ-UHFFFAOYSA-N 1 0 312.257 3.129 40 0 DGABRO COc1cccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000067800888 432041551 /nfs/dbraw/zinc/04/15/51/432041551.db2.gz DFUVKRDDKXUWOY-UHFFFAOYSA-N 1 0 320.433 3.184 40 0 DGABRO S=C(NCCC[NH+]1Cc2ccccc2C1)Nc1ccccc1 ZINC000004823128 181157206 /nfs/dbraw/zinc/15/72/06/181157206.db2.gz LCMLJICQYUXNPM-UHFFFAOYSA-N 1 0 311.454 3.379 40 0 DGABRO O=C(C[NH+]1CCCCC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000004895981 181169448 /nfs/dbraw/zinc/16/94/48/181169448.db2.gz NLVIMYLAQLMQRQ-UHFFFAOYSA-N 1 0 315.461 3.491 40 0 DGABRO CC(C)Oc1cccc(C(=O)N2CC[NH+]=Cc3cc(N)ccc32)c1 ZINC000073642397 191335173 /nfs/dbraw/zinc/33/51/73/191335173.db2.gz QQMMPLSVVFPXQQ-UHFFFAOYSA-N 1 0 323.396 3.135 40 0 DGABRO COc1ccc(Cl)cc1C[NH2+]CCCSc1ncccn1 ZINC000004984183 181184374 /nfs/dbraw/zinc/18/43/74/181184374.db2.gz UZIRKGCZCJACDN-UHFFFAOYSA-N 1 0 323.849 3.411 40 0 DGABRO O=C1C[C@H]([NH2+]C2CCCCC2)C(=O)N1c1ccc2ccccc2c1 ZINC000005179283 181213727 /nfs/dbraw/zinc/21/37/27/181213727.db2.gz VIROFOOHJVPMMH-SFHVURJKSA-N 1 0 322.408 3.394 40 0 DGABRO O=C(CC[NH+]1CCCCCC1)c1ccc2c(c1)OCCCO2 ZINC000005582832 181260367 /nfs/dbraw/zinc/26/03/67/181260367.db2.gz OEHPKAOXWXSAPK-UHFFFAOYSA-N 1 0 303.402 3.297 40 0 DGABRO CN(CC[NH+](C)C)C(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC000005599685 181262419 /nfs/dbraw/zinc/26/24/19/181262419.db2.gz MQXDQFOZJJEPAG-GOSISDBHSA-N 1 0 302.462 3.371 40 0 DGABRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000089223583 192743400 /nfs/dbraw/zinc/74/34/00/192743400.db2.gz CMKPBBAKIIMGLF-CQSZACIVSA-N 1 0 308.397 3.172 40 0 DGABRO COc1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000007027243 181432573 /nfs/dbraw/zinc/43/25/73/181432573.db2.gz KNYUUDYZNUETAA-UHFFFAOYSA-N 1 0 321.490 3.104 40 0 DGABRO COc1cccc(NC(=S)NCCC[NH+]2CCC(C)CC2)c1 ZINC000007027251 181432698 /nfs/dbraw/zinc/43/26/98/181432698.db2.gz MUOZJVPLJQBZPI-UHFFFAOYSA-N 1 0 321.490 3.104 40 0 DGABRO CO[C@H]1CCCOC12CC[NH+](CCCc1ccccc1)CC2 ZINC000257295743 203022012 /nfs/dbraw/zinc/02/20/12/203022012.db2.gz QZQYGIZEFVKNCF-SFHVURJKSA-N 1 0 303.446 3.279 40 0 DGABRO CC(C)C[NH+]1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257302888 203027203 /nfs/dbraw/zinc/02/72/03/203027203.db2.gz SEVOTYSNGWWQEO-UHFFFAOYSA-N 1 0 311.433 3.451 40 0 DGABRO Cc1ccccc1C[NH+]1CC2(C1)CO[C@@H](Cc1cccnc1)C2 ZINC000257307017 203031269 /nfs/dbraw/zinc/03/12/69/203031269.db2.gz SWXCQBBGZIGRLD-IBGZPJMESA-N 1 0 308.425 3.224 40 0 DGABRO Cc1ccccc1CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)ccn1 ZINC000257310141 203034461 /nfs/dbraw/zinc/03/44/61/203034461.db2.gz UDVMGAODCFWCPS-IBGZPJMESA-N 1 0 323.440 3.429 40 0 DGABRO Cc1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC000257288364 203014501 /nfs/dbraw/zinc/01/45/01/203014501.db2.gz PTXSQYRUBCOKCK-HNNXBMFYSA-N 1 0 323.444 3.060 40 0 DGABRO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2CCc2ccccc2)ccn1 ZINC000257314454 203038846 /nfs/dbraw/zinc/03/88/46/203038846.db2.gz UXBJNZUZWFGDCH-HXUWFJFHSA-N 1 0 323.440 3.097 40 0 DGABRO Fc1ccc(C[C@@H]2CC3(C[NH+](Cc4ccncc4)C3)CO2)cc1 ZINC000257339292 203060247 /nfs/dbraw/zinc/06/02/47/203060247.db2.gz ZBCCZSIAIXHQMK-GOSISDBHSA-N 1 0 312.388 3.054 40 0 DGABRO CC[C@@H]([C@@H]([NH3+])c1ccc(-c2ccccc2)cc1)S(C)(=O)=O ZINC000096524869 193675696 /nfs/dbraw/zinc/67/56/96/193675696.db2.gz CQIYIBYSVHLNNL-IRXDYDNUSA-N 1 0 303.427 3.177 40 0 DGABRO COC(=O)CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015423836 182001609 /nfs/dbraw/zinc/00/16/09/182001609.db2.gz NLFLJHSNNYYKPI-UHFFFAOYSA-N 1 0 315.335 3.481 40 0 DGABRO Ic1ccccc1C[NH+]1CCCCC1 ZINC000016124466 182034731 /nfs/dbraw/zinc/03/47/31/182034731.db2.gz OBPRBFCDPRYNIP-UHFFFAOYSA-N 1 0 301.171 3.277 40 0 DGABRO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000016739464 182059351 /nfs/dbraw/zinc/05/93/51/182059351.db2.gz WKLGIIULCGMLEB-YQQAZPJKSA-N 1 0 319.445 3.282 40 0 DGABRO Fc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000019348830 182118014 /nfs/dbraw/zinc/11/80/14/182118014.db2.gz VRZXYZGKJRQKQT-OAHLLOKOSA-N 1 0 324.359 3.260 40 0 DGABRO COc1ccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019359701 182118597 /nfs/dbraw/zinc/11/85/97/182118597.db2.gz XSVHECDLKBVVBE-QYZOEREBSA-N 1 0 312.457 3.025 40 0 DGABRO O=C(NC1CC[NH+](CC2(c3ccccc3)CC2)CC1)c1ccco1 ZINC000019369722 182119687 /nfs/dbraw/zinc/11/96/87/182119687.db2.gz KEGVPHFFDZESJN-UHFFFAOYSA-N 1 0 324.424 3.206 40 0 DGABRO O=C1CCC[C@]2(C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)N1 ZINC000019372604 182121019 /nfs/dbraw/zinc/12/10/19/182121019.db2.gz MXSHUMGOBGXCRM-PZJWPPBQSA-N 1 0 320.436 3.325 40 0 DGABRO CCSc1nnc([C@@H]2CCC[N@H+](Cc3ccco3)C2)n1CC ZINC000019524204 182127814 /nfs/dbraw/zinc/12/78/14/182127814.db2.gz QSVVQHGVINGEBX-CYBMUJFWSA-N 1 0 320.462 3.383 40 0 DGABRO CC(C)n1cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c2ccccc21 ZINC000019747876 182143024 /nfs/dbraw/zinc/14/30/24/182143024.db2.gz DMYXIFOLTVYZIX-OAHLLOKOSA-N 1 0 313.445 3.132 40 0 DGABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCCC[NH+]1CCCC1 ZINC000022524015 182324799 /nfs/dbraw/zinc/32/47/99/182324799.db2.gz WGXXAICNMRKWNI-KRWDZBQOSA-N 1 0 318.461 3.063 40 0 DGABRO COc1ccc(CN2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000022794664 182335114 /nfs/dbraw/zinc/33/51/14/182335114.db2.gz XSVHECDLKBVVBE-OTWHNJEPSA-N 1 0 312.457 3.025 40 0 DGABRO C[NH+](C)CCN(Cc1ccncc1)Cc1ccccc1Cl ZINC000022913775 182340379 /nfs/dbraw/zinc/34/03/79/182340379.db2.gz TUGLOUVMCPSYFU-UHFFFAOYSA-N 1 0 303.837 3.299 40 0 DGABRO O=C1NCCCC[C@@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000038635483 183005191 /nfs/dbraw/zinc/00/51/91/183005191.db2.gz BRAYCQJGMBISSA-IBGZPJMESA-N 1 0 308.425 3.358 40 0 DGABRO O=C(NC1CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832533 183010955 /nfs/dbraw/zinc/01/09/55/183010955.db2.gz PSJULGPJSWSTAZ-KRWDZBQOSA-N 1 0 300.446 3.348 40 0 DGABRO Cc1cc[nH+]c(NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000040434824 183066886 /nfs/dbraw/zinc/06/68/86/183066886.db2.gz RIMSKQAOZWMYGG-AWEZNQCLSA-N 1 0 305.422 3.449 40 0 DGABRO Cc1cc[nH+]c(NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000040434825 183066921 /nfs/dbraw/zinc/06/69/21/183066921.db2.gz RIMSKQAOZWMYGG-CQSZACIVSA-N 1 0 305.422 3.449 40 0 DGABRO COc1ccc(CCC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000057288934 184031955 /nfs/dbraw/zinc/03/19/55/184031955.db2.gz LRCWLROZOUYOHU-UHFFFAOYSA-N 1 0 318.461 3.010 40 0 DGABRO Cc1ccc(CN(CCC[NH+](C)C)Cc2cccc(C)n2)o1 ZINC000057810835 184055227 /nfs/dbraw/zinc/05/52/27/184055227.db2.gz BUBOTJMEEQUWQQ-UHFFFAOYSA-N 1 0 301.434 3.245 40 0 DGABRO CO[C@H](C[NH2+][C@@H](C)CCc1ccc(O)cc1)c1ccc(O)cc1 ZINC000065748585 184378407 /nfs/dbraw/zinc/37/84/07/184378407.db2.gz VPHOYLOAYAAPCO-IFXJQAMLSA-N 1 0 315.413 3.396 40 0 in-vitro DGABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219630 257123955 /nfs/dbraw/zinc/12/39/55/257123955.db2.gz GWOGISRNKAHWHJ-QGZVFWFLSA-N 1 0 303.450 3.164 40 0 DGABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216247 257124900 /nfs/dbraw/zinc/12/49/00/257124900.db2.gz NEMOWILWBKWSFX-KRWDZBQOSA-N 1 0 303.450 3.245 40 0 DGABRO CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)C[NH2+]CC1CCCCC1 ZINC000005000540 257230612 /nfs/dbraw/zinc/23/06/12/257230612.db2.gz XTULGTCCHMSQNX-FRQCXROJSA-N 1 0 306.494 3.487 40 0 DGABRO c1coc(C[NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)c1 ZINC000096106453 285562871 /nfs/dbraw/zinc/56/28/71/285562871.db2.gz KSTYHTLGGVRPLJ-KRWDZBQOSA-N 1 0 319.445 3.325 40 0 DGABRO CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccc(F)c1F ZINC000585108915 400125269 /nfs/dbraw/zinc/12/52/69/400125269.db2.gz DCOWCAYQUAIYAA-HOTGVXAUSA-N 1 0 322.399 3.186 40 0 DGABRO Cc1ccccc1CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2CCC(C)C ZINC000585109016 400126178 /nfs/dbraw/zinc/12/61/78/400126178.db2.gz NZPPPMGKPCRSTD-ROUUACIJSA-N 1 0 300.446 3.216 40 0 DGABRO CCCn1c2ccccc2nc1CN1CC[C@H]2[NH2+]CCCC[C@H]21 ZINC000019712506 400186058 /nfs/dbraw/zinc/18/60/58/400186058.db2.gz UZEBIQZWWAQLNH-NVXWUHKLSA-N 1 0 312.461 3.163 40 0 DGABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000585288704 400130063 /nfs/dbraw/zinc/13/00/63/400130063.db2.gz IEQXJJKZNLRWCF-IPMKNSEASA-N 1 0 315.388 3.276 40 0 DGABRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]3[C@H]2CCN3C(C)=O)cc1 ZINC000019712581 400186911 /nfs/dbraw/zinc/18/69/11/400186911.db2.gz WZGBBSZBKNUCLV-RTBURBONSA-N 1 0 316.445 3.061 40 0 DGABRO COc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000044080891 400484477 /nfs/dbraw/zinc/48/44/77/400484477.db2.gz SNQMKPHISYDYHJ-AWEZNQCLSA-N 1 0 321.490 3.104 40 0 DGABRO C[NH2+]CCN(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000147975100 400653379 /nfs/dbraw/zinc/65/33/79/400653379.db2.gz SIVHMOCZXTVJPD-UHFFFAOYSA-N 1 0 310.397 3.087 40 0 DGABRO [NH3+][C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000218868140 400952127 /nfs/dbraw/zinc/95/21/27/400952127.db2.gz RRNLSOSWIHMGHJ-OKYOBFRVSA-N 1 0 302.462 3.374 40 0 DGABRO Nc1cc(N)[nH+]c(SCc2c(Cl)cccc2Cl)n1 ZINC000000287606 274964472 /nfs/dbraw/zinc/96/44/72/274964472.db2.gz SPCMOCTWQYVGQL-UHFFFAOYSA-N 1 0 301.202 3.240 40 0 DGABRO CCOC[C@@H]1CCC2(CCN(Cc3ccc(C)o3)CC2)[N@@H+]1C ZINC000096209495 276330325 /nfs/dbraw/zinc/33/03/25/276330325.db2.gz BYZNTICMTORODL-INIZCTEOSA-N 1 0 306.450 3.053 40 0 DGABRO CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[NH2+]2 ZINC000257307954 278075667 /nfs/dbraw/zinc/07/56/67/278075667.db2.gz TUWFRKSYMJTDFC-YHDCXSKOSA-N 1 0 312.457 3.139 40 0 DGABRO Cc1nc(Cn2ccnc2[C@@H]2C[N@@H+](C)Cc3ccccc32)cs1 ZINC000306143573 279086990 /nfs/dbraw/zinc/08/69/90/279086990.db2.gz YFRKEUYTBJHQEO-QGZVFWFLSA-N 1 0 324.453 3.274 40 0 DGABRO CCN1CC[C@]2(CCC[N@H+](Cc3ccccc3C)CC2)C1=O ZINC000108531376 431147587 /nfs/dbraw/zinc/14/75/87/431147587.db2.gz DFPHKOSVKDINQF-LJQANCHMSA-N 1 0 300.446 3.220 40 0 DGABRO CC[NH+](CC)CCCNc1cc(OC)c(OC)c2cccnc12 ZINC000001592009 431232522 /nfs/dbraw/zinc/23/25/22/431232522.db2.gz NMKNIEMVRVRVPQ-UHFFFAOYSA-N 1 0 317.433 3.396 40 0 DGABRO CCN(CC)C(=O)c1ccc[n+](Cc2ccc(Cl)cc2)c1 ZINC000001726168 431236250 /nfs/dbraw/zinc/23/62/50/431236250.db2.gz FABOCUBTSPOEED-UHFFFAOYSA-N 1 0 303.813 3.158 40 0 DGABRO CC[N@H+](CCO)CCCNc1ccnc2cc(Cl)ccc21 ZINC000001706243 431236894 /nfs/dbraw/zinc/23/68/94/431236894.db2.gz TUQGOHBCIDWLPB-UHFFFAOYSA-N 1 0 307.825 3.004 40 0 DGABRO Cc1cc(C)c2nc(C(F)(F)F)nc(N3CC[NH+](C)CC3)c2c1 ZINC000004313697 431298523 /nfs/dbraw/zinc/29/85/23/431298523.db2.gz PEODRRFLDHXGPV-UHFFFAOYSA-N 1 0 324.350 3.017 40 0 DGABRO CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000113971217 431368135 /nfs/dbraw/zinc/36/81/35/431368135.db2.gz HHPQUXITPHOIFD-INIZCTEOSA-N 1 0 324.852 3.016 40 0 DGABRO Cc1ccc(C2=CCN(CC(=O)N3CCCC[C@H]3C)CC2)o1 ZINC000072342264 431336511 /nfs/dbraw/zinc/33/65/11/431336511.db2.gz BPBFEQMHFAWIPO-CQSZACIVSA-N 1 0 302.418 3.078 40 0 DGABRO CCOc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccccc1 ZINC000008254649 431387783 /nfs/dbraw/zinc/38/77/83/431387783.db2.gz VXKIBGRSJQPSLO-HNNXBMFYSA-N 1 0 315.413 3.135 40 0 DGABRO COCC[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000008469170 431398713 /nfs/dbraw/zinc/39/87/13/431398713.db2.gz DOKPHHDZXYMBJB-UHFFFAOYSA-N 1 0 319.376 3.149 40 0 DGABRO C[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000008733926 431408957 /nfs/dbraw/zinc/40/89/57/431408957.db2.gz LAEPSYAWIIWRQY-UHFFFAOYSA-N 1 0 302.205 3.163 40 0 DGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc(Cl)c2)C1 ZINC000010542845 431464067 /nfs/dbraw/zinc/46/40/67/431464067.db2.gz VAHGQBRGGDWMFM-OKILXGFUSA-N 1 0 308.853 3.438 40 0 DGABRO OCC[N@H+](Cc1cccs1)Cc1c[nH]nc1-c1cccs1 ZINC000012143837 431494154 /nfs/dbraw/zinc/49/41/54/431494154.db2.gz GJHLVLLFRSQRBO-UHFFFAOYSA-N 1 0 319.455 3.194 40 0 DGABRO C[NH+](C)CCCNc1ncc(-c2ccncc2)c(-c2ccoc2)n1 ZINC000012222333 431496441 /nfs/dbraw/zinc/49/64/41/431496441.db2.gz JNQQYFWCCUKCEA-UHFFFAOYSA-N 1 0 323.400 3.162 40 0 DGABRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCCO)cc1 ZINC000012241391 431500379 /nfs/dbraw/zinc/50/03/79/431500379.db2.gz NFLIIOIQJIYSSV-CYBMUJFWSA-N 1 0 303.427 3.239 40 0 DGABRO Cc1cc(C)c(N2C(=O)C[C@H]([NH2+]C3CCCCC3)C2=O)c(C)c1 ZINC000017084923 280386254 /nfs/dbraw/zinc/38/62/54/280386254.db2.gz SYEKRIPBDXEWNZ-INIZCTEOSA-N 1 0 314.429 3.166 40 0 DGABRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000089223585 431861831 /nfs/dbraw/zinc/86/18/31/431861831.db2.gz CMKPBBAKIIMGLF-AWEZNQCLSA-N 1 0 308.397 3.172 40 0 DGABRO CCOc1cc(I)ccc1C[NH2+]C(C)C ZINC000036612304 431839275 /nfs/dbraw/zinc/83/92/75/431839275.db2.gz REHVYAQAEHDXQC-UHFFFAOYSA-N 1 0 319.186 3.188 40 0 DGABRO Cc1cc(-c2noc(CC[NH3+])n2)cc(C)c1OCc1ccccc1 ZINC000095095367 431922330 /nfs/dbraw/zinc/92/23/30/431922330.db2.gz DCWNYDMUOQCARP-UHFFFAOYSA-N 1 0 323.396 3.434 40 0 DGABRO Cc1cccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COC(C)C)C2)n1 ZINC000096040504 431935282 /nfs/dbraw/zinc/93/52/82/431935282.db2.gz ZBZVUIRSKQEMEE-RTBURBONSA-N 1 0 318.461 3.186 40 0 DGABRO O=C1C[C@]2(CC[N@H+](Cc3ccco3)C2)CN1c1cccc(F)c1 ZINC000096050709 431935298 /nfs/dbraw/zinc/93/52/98/431935298.db2.gz HRLNSEFCTRTQDX-SFHVURJKSA-N 1 0 314.360 3.048 40 0 DGABRO Fc1cccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4ccco4)C3)C2)c1 ZINC000096047573 431935504 /nfs/dbraw/zinc/93/55/04/431935504.db2.gz RUBPDDZDTSPLSD-FUHWJXTLSA-N 1 0 316.376 3.264 40 0 DGABRO FC1(F)CC[N@H+](CC2CC2)C[C@]12CCN(c1ccccn1)C2 ZINC000096051159 431935749 /nfs/dbraw/zinc/93/57/49/431935749.db2.gz VAZGDLVZDDLUSM-INIZCTEOSA-N 1 0 307.388 3.029 40 0 DGABRO O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096048735 431935761 /nfs/dbraw/zinc/93/57/61/431935761.db2.gz ZUSCJDVHLLVCDD-QGZVFWFLSA-N 1 0 316.426 3.360 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC2)s1 ZINC000096056546 431936083 /nfs/dbraw/zinc/93/60/83/431936083.db2.gz KDPISLXUTZEGLK-HZPDHXFCSA-N 1 0 304.459 3.032 40 0 DGABRO Fc1cccc(CN2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC000096053850 431936291 /nfs/dbraw/zinc/93/62/91/431936291.db2.gz XTCYPGILFWGFKQ-HOTGVXAUSA-N 1 0 316.445 3.451 40 0 DGABRO CC(C)[N@@H+]1CC[C@H](c2nnc(-c3ccc(N(C)C)cc3)o2)C1 ZINC000049170246 431936923 /nfs/dbraw/zinc/93/69/23/431936923.db2.gz OPUBXCPVBJLEEU-AWEZNQCLSA-N 1 0 300.406 3.000 40 0 biogenic,in-vitro DGABRO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1ccc(C)s1)C2 ZINC000096060144 431936947 /nfs/dbraw/zinc/93/69/47/431936947.db2.gz AACOZNLGTKTMSF-CQSZACIVSA-N 1 0 305.447 3.019 40 0 DGABRO CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096056798 431937040 /nfs/dbraw/zinc/93/70/40/431937040.db2.gz DTQQCEULVMFKQV-DLBZAZTESA-N 1 0 309.475 3.464 40 0 DGABRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](Cc1ccco1)CC2 ZINC000096061429 431937169 /nfs/dbraw/zinc/93/71/69/431937169.db2.gz FRVHZOKTRBPGRV-SFHVURJKSA-N 1 0 324.424 3.260 40 0 DGABRO Cc1ccsc1C[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC000096107715 431938878 /nfs/dbraw/zinc/93/88/78/431938878.db2.gz AFWKEIRLIQZGDZ-WBVHZDCISA-N 1 0 307.459 3.217 40 0 DGABRO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@H+](CC1CCC1)C2 ZINC000096159692 431940827 /nfs/dbraw/zinc/94/08/27/431940827.db2.gz MCIOEVLAYHTGRV-IBGZPJMESA-N 1 0 316.420 3.050 40 0 DGABRO COC[C@@H]1CN(Cc2ccsc2)Cc2c1cnn2CC1CC1 ZINC000096197915 431941347 /nfs/dbraw/zinc/94/13/47/431941347.db2.gz ODOXGGJTSFGEKH-HNNXBMFYSA-N 1 0 317.458 3.100 40 0 DGABRO Cc1nc(CN2CC[C@@H]3O[C@@H](COCC(C)C)CC[C@@H]32)cs1 ZINC000096186669 431941627 /nfs/dbraw/zinc/94/16/27/431941627.db2.gz MUJYFEGGUJYGDH-IKGGRYGDSA-N 1 0 324.490 3.246 40 0 DGABRO CO[C@@H]1CC2(CC[NH+]([C@@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241658 431942654 /nfs/dbraw/zinc/94/26/54/431942654.db2.gz VYRVGMIVYHDGCN-RHSMWYFYSA-N 1 0 305.393 3.039 40 0 DGABRO CCC[N@@H+]1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216425 431942973 /nfs/dbraw/zinc/94/29/73/431942973.db2.gz GISDWOVRTVANHP-IBGZPJMESA-N 1 0 302.462 3.263 40 0 DGABRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096206289 431943050 /nfs/dbraw/zinc/94/30/50/431943050.db2.gz JLSLKTJAXWTGLI-OAHLLOKOSA-N 1 0 309.475 3.322 40 0 DGABRO c1ccc(NC[C@@H]2CCC[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]32)nc1 ZINC000096249016 431943575 /nfs/dbraw/zinc/94/35/75/431943575.db2.gz UYUQWNGQTFKOBD-IPMKNSEASA-N 1 0 322.456 3.437 40 0 DGABRO COc1ccc(C=C=[NH2+])cc1C(=O)Nc1c(F)cccc1F ZINC000100015363 431980335 /nfs/dbraw/zinc/98/03/35/431980335.db2.gz NJZGGIFNSVAQOQ-UHFFFAOYSA-N 1 0 302.280 3.487 40 0 DGABRO CC[C@@H]([C@@H]([NH3+])c1ccc(Cl)cc1Cl)S(=O)(=O)CC ZINC000096524974 431955658 /nfs/dbraw/zinc/95/56/58/431955658.db2.gz XEEZPNJADUHREE-RYUDHWBXSA-N 1 0 310.246 3.207 40 0 DGABRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000098181652 431980462 /nfs/dbraw/zinc/98/04/62/431980462.db2.gz UXQRAMZRGNHVQQ-INIZCTEOSA-N 1 0 304.434 3.375 40 0 DGABRO Cc1ccc2oc(-c3cc(Br)c[n+](C)c3)nc2c1 ZINC000226774784 281174769 /nfs/dbraw/zinc/17/47/69/281174769.db2.gz PGVHMBQVXUHLSB-UHFFFAOYSA-N 1 0 304.167 3.390 40 0 DGABRO CCOc1ccc2[nH]c(=O)c(C[NH2+]Cc3cccs3)cc2c1 ZINC000057584846 431991968 /nfs/dbraw/zinc/99/19/68/431991968.db2.gz UNGWGRKUZRLOQB-UHFFFAOYSA-N 1 0 314.410 3.278 40 0 DGABRO CC(C)Cc1ncc(-c2nccnc2C[C@H]2CCC[NH2+]C2)s1 ZINC000257218928 432418172 /nfs/dbraw/zinc/41/81/72/432418172.db2.gz DEVZWICZLUDHQH-CYBMUJFWSA-N 1 0 316.474 3.341 40 0 DGABRO Cc1ncc(-c2nccnc2[C@H]2CCC[N@@H+](CC(C)C)C2)n1C ZINC000257216534 432418179 /nfs/dbraw/zinc/41/81/79/432418179.db2.gz CUYJRMQPNXLDML-HNNXBMFYSA-N 1 0 313.449 3.021 40 0 DGABRO O[C@H]1CCCOC12CC[NH+](Cc1ccc3ccccc3c1)CC2 ZINC000257204615 432418383 /nfs/dbraw/zinc/41/83/83/432418383.db2.gz AVNIIKOTKZLNMH-IBGZPJMESA-N 1 0 311.425 3.346 40 0 DGABRO Cc1n[nH]c(C)c1-c1cncc(C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257210596 432419262 /nfs/dbraw/zinc/41/92/62/432419262.db2.gz BVIBDZHSYPSVPY-HNNXBMFYSA-N 1 0 313.449 3.146 40 0 DGABRO Cc1ccnc([C@H]2CC[N@H+](CCCOc3ccccc3F)C2)n1 ZINC000257226057 432419654 /nfs/dbraw/zinc/41/96/54/432419654.db2.gz FIYGJPRVOWQJNA-HNNXBMFYSA-N 1 0 315.392 3.183 40 0 DGABRO CCn1nccc1-c1cncc(C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257246701 432421849 /nfs/dbraw/zinc/42/18/49/432421849.db2.gz IVKOXMYUDANZRZ-HNNXBMFYSA-N 1 0 313.449 3.023 40 0 DGABRO CCn1nccc1-c1cnc(C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257255915 432421855 /nfs/dbraw/zinc/42/18/55/432421855.db2.gz KJJUSHRAQHUNEV-OAHLLOKOSA-N 1 0 313.449 3.023 40 0 DGABRO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)nc1 ZINC000257243031 432423277 /nfs/dbraw/zinc/42/32/77/432423277.db2.gz IFFWCYVVIHHIMY-LJQANCHMSA-N 1 0 309.413 3.055 40 0 DGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2cccc(F)c2)C1 ZINC000225728367 432695644 /nfs/dbraw/zinc/69/56/44/432695644.db2.gz VDBOTHRHRAPMRI-ZIAGYGMSSA-N 1 0 323.481 3.480 40 0 DGABRO Clc1ccc2nc(N3CC[NH2+]CC3)nc(-c3ccccc3)c2c1 ZINC000000275717 294110785 /nfs/dbraw/zinc/11/07/85/294110785.db2.gz UQUXFXRMNTUFQA-UHFFFAOYSA-N 1 0 324.815 3.360 40 0 DGABRO Cc1cc(N2CCc3cc(Cl)ccc3C2)nc(NC(C)C)[nH+]1 ZINC000328969081 434337058 /nfs/dbraw/zinc/33/70/58/434337058.db2.gz DCQNMCRSPDKOMO-UHFFFAOYSA-N 1 0 316.836 3.821 40 0 DGABRO Clc1ccccc1CNc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000328985754 434338668 /nfs/dbraw/zinc/33/86/68/434338668.db2.gz HVAYELYDXLLIOS-UHFFFAOYSA-N 1 0 314.820 3.038 40 0 DGABRO Clc1ccc2c(c1)CCN(c1cc(NC3CC3)ncn1)C2 ZINC000329026897 434346760 /nfs/dbraw/zinc/34/67/60/434346760.db2.gz POZGBGXFNXZVDA-UHFFFAOYSA-N 1 0 300.793 3.267 40 0 DGABRO c1csc(C[N@H+]2C[C@@H]3c4ncc(-c5ccncc5)n4C[C@@H]3C2)c1 ZINC000306134015 534519759 /nfs/dbraw/zinc/51/97/59/534519759.db2.gz NBTXCAPYJYBIDC-HOCLYGCPSA-N 1 0 322.437 3.236 40 0 DGABRO CC(C)(C)OC(=O)Nc1ccc(C[NH3+])cc1OC(F)(F)F ZINC000228917004 574531647 /nfs/dbraw/zinc/53/16/47/574531647.db2.gz TVAUJWCCFNZASN-UHFFFAOYSA-N 1 0 306.284 3.391 40 0 DGABRO CCOc1ccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000256053193 575207669 /nfs/dbraw/zinc/20/76/69/575207669.db2.gz QLWIHAJTXMUPMQ-UHFFFAOYSA-N 1 0 313.323 3.127 40 0 DGABRO OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OCc1ccccc1 ZINC001772491078 1197699175 /nfs/dbraw/zinc/69/91/75/1197699175.db2.gz DAEQJRXBQKIVSA-VQTJNVASSA-N 1 0 311.425 3.086 40 0 DGABRO CC(=O)NC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000077042738 185075740 /nfs/dbraw/zinc/07/57/40/185075740.db2.gz JZIHXLNGPVLLDT-UHFFFAOYSA-N 1 0 308.425 3.314 40 0 DGABRO CN(C)Cc1ccnc([C@H]2CCC[N@@H+]2C2CCCCCC2)n1 ZINC000257309595 282149849 /nfs/dbraw/zinc/14/98/49/282149849.db2.gz UBNGBKFGVSBJFH-QGZVFWFLSA-N 1 0 302.466 3.398 40 0 DGABRO CC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000063527794 432005708 /nfs/dbraw/zinc/00/57/08/432005708.db2.gz YVONZAGBVFEOHI-UHFFFAOYSA-N 1 0 306.837 3.174 40 0 DGABRO OC[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2F)c1 ZINC000092471036 185320746 /nfs/dbraw/zinc/32/07/46/185320746.db2.gz YGJGXDBQZJCNSU-QGZVFWFLSA-N 1 0 315.388 3.361 40 0 DGABRO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000072203930 191076384 /nfs/dbraw/zinc/07/63/84/191076384.db2.gz XHVIHPAHSMZJAP-KBPBESRZSA-N 1 0 305.422 3.132 40 0 DGABRO CC(C)C[NH2+]C1(Cc2cc(-c3ccc(F)cc3)on2)COC1 ZINC000072321917 191122082 /nfs/dbraw/zinc/12/20/82/191122082.db2.gz MAPWPKYOFIYMNQ-UHFFFAOYSA-N 1 0 304.365 3.038 40 0 biogenic,in-vitro DGABRO c1cn(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cn1 ZINC000072378619 191140539 /nfs/dbraw/zinc/14/05/39/191140539.db2.gz BTJLJLGTCRZOSQ-MRXNPFEDSA-N 1 0 319.412 3.042 40 0 DGABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072378630 191140898 /nfs/dbraw/zinc/14/08/98/191140898.db2.gz OQIHWLWWVWWJAW-SFHVURJKSA-N 1 0 319.412 3.308 40 0 DGABRO Cc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)c1 ZINC000072389891 191147939 /nfs/dbraw/zinc/14/79/39/191147939.db2.gz KNOHCZSQPQSQOX-KRWDZBQOSA-N 1 0 320.396 3.430 40 0 DGABRO c1cc([C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2c2ccccc2)n[nH]1 ZINC000072395176 191148851 /nfs/dbraw/zinc/14/88/51/191148851.db2.gz UWCMGBQZSPGOKM-ZWKOTPCHSA-N 1 0 304.397 3.188 40 0 DGABRO O=C(C[NH2+]C1CCCCC1)Nc1ccc(N2CCCC2)cc1 ZINC000004896269 181169733 /nfs/dbraw/zinc/16/97/33/181169733.db2.gz XHRFZSIYRANMQW-UHFFFAOYSA-N 1 0 301.434 3.148 40 0 DGABRO C[NH+](C)CCCNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000005508959 181251297 /nfs/dbraw/zinc/25/12/97/181251297.db2.gz BPMFYOMUJHMVCR-UHFFFAOYSA-N 1 0 310.441 3.277 40 0 DGABRO CCCCCCOc1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC000005614785 181264150 /nfs/dbraw/zinc/26/41/50/181264150.db2.gz ITLNEIBBJCHEMQ-UHFFFAOYSA-N 1 0 306.450 3.327 40 0 DGABRO COc1ccccc1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000237182236 202178445 /nfs/dbraw/zinc/17/84/45/202178445.db2.gz RKXGZUWEWZYDAS-AWEZNQCLSA-N 1 0 315.413 3.433 40 0 in-vitro DGABRO CC[NH+](CC)CCn1c2ccccc2c(=O)n1-c1ccccc1 ZINC000006416375 181339327 /nfs/dbraw/zinc/33/93/27/181339327.db2.gz QBNFNVSCKGQLBQ-UHFFFAOYSA-N 1 0 309.413 3.134 40 0 DGABRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCCCCC1 ZINC000039749055 283759774 /nfs/dbraw/zinc/75/97/74/283759774.db2.gz IYXSZZWZPHRMRQ-UHFFFAOYSA-N 1 0 300.446 3.301 40 0 DGABRO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@H]1c1ccncn1 ZINC000257298785 203023555 /nfs/dbraw/zinc/02/35/55/203023555.db2.gz RNHCCUDUMTUGFX-KRWDZBQOSA-N 1 0 305.385 3.204 40 0 DGABRO Cc1cnc(Nc2cc([C@@H]3CC[N@@H+](C(C)C)C3)nc(C)n2)s1 ZINC000257300722 203025801 /nfs/dbraw/zinc/02/58/01/203025801.db2.gz RVLNYMOCTOWCPI-CYBMUJFWSA-N 1 0 317.462 3.491 40 0 DGABRO CCN1CC[NH2+]C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O ZINC000257303661 203028095 /nfs/dbraw/zinc/02/80/95/203028095.db2.gz SIDGWLKIYFGFRF-FQEVSTJZSA-N 1 0 322.452 3.272 40 0 DGABRO Fc1ccccc1OCCC[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC000257307628 203032182 /nfs/dbraw/zinc/03/21/82/203032182.db2.gz SZNSPGFSZTXPCA-MRXNPFEDSA-N 1 0 301.365 3.222 40 0 DGABRO CCCCc1ncc(C[N@@H+]2CCC[C@H](c3nc(C)c[nH]3)C2)[nH]1 ZINC000257309367 203034806 /nfs/dbraw/zinc/03/48/06/203034806.db2.gz UAQYGNRWXQMOLS-AWEZNQCLSA-N 1 0 301.438 3.163 40 0 DGABRO c1c[nH]c(-c2cnc(C[C@@H]3CC[N@@H+](C4CCCCC4)C3)cn2)n1 ZINC000257280109 203007515 /nfs/dbraw/zinc/00/75/15/203007515.db2.gz OJMCKIQIANXAEX-AWEZNQCLSA-N 1 0 311.433 3.064 40 0 DGABRO Cc1ncc(-c2nccnc2C2CC[NH+](C(C)C)CC2)s1 ZINC000257286018 203014347 /nfs/dbraw/zinc/01/43/47/203014347.db2.gz PJVRFTGOCURWPY-UHFFFAOYSA-N 1 0 302.447 3.496 40 0 DGABRO Cc1cncc([C@@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257294742 203018615 /nfs/dbraw/zinc/01/86/15/203018615.db2.gz QVMVJNWTIPBPMZ-SFHVURJKSA-N 1 0 307.397 3.398 40 0 DGABRO Cc1cnc(C2(C)CC[NH+](Cc3ccnc(C)n3)CC2)s1 ZINC000257294456 203018965 /nfs/dbraw/zinc/01/89/65/203018965.db2.gz QUGIXHMXQYVOPM-UHFFFAOYSA-N 1 0 302.447 3.104 40 0 DGABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)n1 ZINC000257294267 203019901 /nfs/dbraw/zinc/01/99/01/203019901.db2.gz QTHMJGPLABMXIQ-OAHLLOKOSA-N 1 0 307.401 3.041 40 0 DGABRO COc1cccc(F)c1C[N@@H+]1CCC[C@H](c2nc(C)cn2C)C1 ZINC000257332442 203054364 /nfs/dbraw/zinc/05/43/64/203054364.db2.gz XXIZYSVQBVJKLD-AWEZNQCLSA-N 1 0 317.408 3.256 40 0 DGABRO c1cc([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n[nH]1 ZINC000257311127 203037082 /nfs/dbraw/zinc/03/70/82/203037082.db2.gz UICKOZRPSOPWKJ-KRWDZBQOSA-N 1 0 319.412 3.246 40 0 DGABRO CCn1nccc1-c1nccnc1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000257313419 203039460 /nfs/dbraw/zinc/03/94/60/203039460.db2.gz USHOMAFZYZMAHU-HNNXBMFYSA-N 1 0 313.449 3.023 40 0 DGABRO CC(C)Cc1ncc(-c2cncc([C@@H]3CCC[NH2+]C3)n2)s1 ZINC000257322562 203047240 /nfs/dbraw/zinc/04/72/40/203047240.db2.gz WGMNSCQWKFEBHO-GFCCVEGCSA-N 1 0 302.447 3.266 40 0 DGABRO COCC[NH2+]CCCCCOc1ccccc1Br ZINC000261507298 203073126 /nfs/dbraw/zinc/07/31/26/203073126.db2.gz HFGOMOLCKRZROX-UHFFFAOYSA-N 1 0 316.239 3.234 40 0 DGABRO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C)cn3C)C2)ccc1F ZINC000257342114 203065843 /nfs/dbraw/zinc/06/58/43/203065843.db2.gz ZNDHMWHZNDKFOD-OAHLLOKOSA-N 1 0 317.408 3.256 40 0 DGABRO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+](CC1CC1)CC2 ZINC000096100276 193536476 /nfs/dbraw/zinc/53/64/76/193536476.db2.gz JOIBAWINBPTLMV-LJQANCHMSA-N 1 0 324.468 3.472 40 0 DGABRO Cc1cc(C)cc(C[NH+]2CCC3(CN(CC(C)C)C3=O)CC2)c1 ZINC000096202818 193579438 /nfs/dbraw/zinc/57/94/38/193579438.db2.gz APDPBRFKYPFCDX-UHFFFAOYSA-N 1 0 314.473 3.384 40 0 DGABRO Cc1ccc(C)c(O[C@@H](C)C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000013710900 181882715 /nfs/dbraw/zinc/88/27/15/181882715.db2.gz FQAXTQWXVFEILA-KRWDZBQOSA-N 1 0 318.461 3.063 40 0 DGABRO Cc1ccc(C2(C[NH+]3CCN(Cc4cccnc4)CC3)CC2)cc1 ZINC000019208421 182107327 /nfs/dbraw/zinc/10/73/27/182107327.db2.gz YKETZPRTMFLXGN-UHFFFAOYSA-N 1 0 321.468 3.239 40 0 DGABRO OC1CC[NH+](Cc2c3cccnc3[nH]c2-c2cccs2)CC1 ZINC000019345223 182117814 /nfs/dbraw/zinc/11/78/14/182117814.db2.gz YIARTMFFTQBJTM-UHFFFAOYSA-N 1 0 313.426 3.248 40 0 DGABRO Clc1ccc(Cl)c(SCCCN2CC[NH2+]CC2)c1 ZINC000019366475 182119317 /nfs/dbraw/zinc/11/93/17/182119317.db2.gz YCJUISCEMNHDHX-UHFFFAOYSA-N 1 0 305.274 3.381 40 0 in-vitro DGABRO CC[NH+](CC)CCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000019369334 182120057 /nfs/dbraw/zinc/12/00/57/182120057.db2.gz ZMCDSBQGSSIJLF-UXHICEINSA-N 1 0 312.457 3.393 40 0 DGABRO COc1ccc(C[N@H+](C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019586423 182131983 /nfs/dbraw/zinc/13/19/83/182131983.db2.gz LLUBGAYQDSYOEP-RBUKOAKNSA-N 1 0 315.388 3.449 40 0 DGABRO CCc1cc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)no1 ZINC000019522688 182127500 /nfs/dbraw/zinc/12/75/00/182127500.db2.gz KMSVIIAFFYCWFL-UHFFFAOYSA-N 1 0 313.401 3.475 40 0 DGABRO CCSc1nnc([C@H]2CCC[N@H+](Cc3ccco3)C2)n1CC ZINC000019524205 182128187 /nfs/dbraw/zinc/12/81/87/182128187.db2.gz QSVVQHGVINGEBX-ZDUSSCGKSA-N 1 0 320.462 3.383 40 0 DGABRO CCn1cncc1C[N@@H+]1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019578636 182131109 /nfs/dbraw/zinc/13/11/09/182131109.db2.gz FRCNQJFRPFEIFG-OAHLLOKOSA-N 1 0 309.417 3.159 40 0 DGABRO COc1cc(Cl)cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1OC ZINC000019575726 182131631 /nfs/dbraw/zinc/13/16/31/182131631.db2.gz SXWZNVJUBWKOFT-SWLSCSKDSA-N 1 0 324.852 3.026 40 0 DGABRO CCn1nc(C)c(-c2cncn2CC[N@H+](C)C2CCCC2)c1C ZINC000019719613 182138620 /nfs/dbraw/zinc/13/86/20/182138620.db2.gz VTOBCOWBTQIUAK-UHFFFAOYSA-N 1 0 315.465 3.258 40 0 DGABRO Fc1ccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019842466 182155523 /nfs/dbraw/zinc/15/55/23/182155523.db2.gz SRFLUJDNZXIEFF-FGTMMUONSA-N 1 0 300.421 3.156 40 0 DGABRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000020108774 182187961 /nfs/dbraw/zinc/18/79/61/182187961.db2.gz QFYBAFMZMXFLSU-CQSZACIVSA-N 1 0 324.852 3.100 40 0 DGABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccccc2F)C1 ZINC000044080814 183394406 /nfs/dbraw/zinc/39/44/06/183394406.db2.gz PWSSOYAHGFOPCZ-ZDUSSCGKSA-N 1 0 309.454 3.234 40 0 DGABRO COc1ccc(Cl)cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000060635122 184153586 /nfs/dbraw/zinc/15/35/86/184153586.db2.gz XMEYREHQXPZETR-UHFFFAOYSA-N 1 0 324.852 3.345 40 0 DGABRO COCC[N@@H+]1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358493 285031261 /nfs/dbraw/zinc/03/12/61/285031261.db2.gz XMQIUSLGMAQLHN-HNNXBMFYSA-N 1 0 315.392 3.109 40 0 DGABRO CCC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219418 257124070 /nfs/dbraw/zinc/12/40/70/257124070.db2.gz FPQLCYJHPRPCBE-QGZVFWFLSA-N 1 0 303.450 3.164 40 0 DGABRO CC(=O)N1CCCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219194 257124402 /nfs/dbraw/zinc/12/44/02/257124402.db2.gz YOUDUKUJGUDBLU-KRWDZBQOSA-N 1 0 301.434 3.454 40 0 DGABRO CCC[N@@H+]1CCCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219359 257124448 /nfs/dbraw/zinc/12/44/48/257124448.db2.gz LQRABXXODMBFIZ-KRWDZBQOSA-N 1 0 303.450 3.164 40 0 DGABRO Clc1ccc(-c2ccc3nnc([C@@H]4CCCC[NH2+]4)n3n2)cc1 ZINC000217563488 257131243 /nfs/dbraw/zinc/13/12/43/257131243.db2.gz WUACSLUSLZPQIQ-AWEZNQCLSA-N 1 0 313.792 3.259 40 0 DGABRO CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)C[NH2+]CC1CCCCC1 ZINC000005000539 257230611 /nfs/dbraw/zinc/23/06/11/257230611.db2.gz XTULGTCCHMSQNX-JTDSTZFVSA-N 1 0 306.494 3.487 40 0 DGABRO Cc1cccc(CO[C@H]2CSC3(C[NH+](CC4CCC4)C3)C2)n1 ZINC000585105349 400125672 /nfs/dbraw/zinc/12/56/72/400125672.db2.gz UTSRXMIHHBQAIJ-QGZVFWFLSA-N 1 0 318.486 3.267 40 0 DGABRO CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2[C@H](C)c1ccccc1 ZINC000585108873 400125753 /nfs/dbraw/zinc/12/57/53/400125753.db2.gz ALWQVEZPEHXMIG-NJAFHUGGSA-N 1 0 300.446 3.469 40 0 DGABRO c1cncc(CO[C@@H]2CSC3(C[NH+](CC4CCCC4)C3)C2)c1 ZINC000585103952 400125907 /nfs/dbraw/zinc/12/59/07/400125907.db2.gz FAKAGKKVOVNDEC-KRWDZBQOSA-N 1 0 318.486 3.348 40 0 DGABRO OC1(COc2ccccc2F)CC[NH+](C2CCCCC2)CC1 ZINC000585281769 400130152 /nfs/dbraw/zinc/13/01/52/400130152.db2.gz RDAHEFHSUTWVNM-UHFFFAOYSA-N 1 0 307.409 3.364 40 0 DGABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]Cc3ccccc3)[C@H]2O)c1 ZINC000585288842 400130301 /nfs/dbraw/zinc/13/03/01/400130301.db2.gz KDUMLWVKUXAUIO-XUVXKRRUSA-N 1 0 311.425 3.446 40 0 DGABRO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@@H+]2Cc1ccccc1C ZINC000019712367 400186752 /nfs/dbraw/zinc/18/67/52/400186752.db2.gz QWSILZJVRWQTHU-RBUKOAKNSA-N 1 0 300.446 3.360 40 0 DGABRO Cc1cccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000044080824 400484314 /nfs/dbraw/zinc/48/43/14/400484314.db2.gz FUENMFWOUGBQPG-HNNXBMFYSA-N 1 0 305.491 3.403 40 0 DGABRO COc1ccc(C(=O)[C@@H]2SC(=[NH2+])N[C@@H]2c2ccccc2)cc1 ZINC000003019695 286290889 /nfs/dbraw/zinc/29/08/89/286290889.db2.gz ZCHDLPRNEZDIPX-GDBMZVCRSA-N 1 0 312.394 3.049 40 0 DGABRO [NH3+][C@H]1C[C@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc21 ZINC000261637912 165725300 /nfs/dbraw/zinc/72/53/00/165725300.db2.gz HYZZGQJOAHUDLM-OALUTQOASA-N 1 0 321.424 3.048 40 0 DGABRO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1cc2ccccc2o1 ZINC000073642334 274964921 /nfs/dbraw/zinc/96/49/21/274964921.db2.gz MUONUGQVSBSPOF-UHFFFAOYSA-N 1 0 305.337 3.094 40 0 DGABRO CC(C)(O)C[NH2+]CCCNc1ccnc2cc(Cl)ccc21 ZINC000001706244 275555446 /nfs/dbraw/zinc/55/54/46/275555446.db2.gz PVGKFEFXDTXWKX-UHFFFAOYSA-N 1 0 307.825 3.051 40 0 DGABRO CC(C)[NH+]1CCC2(CC1)CN(C(=O)C1CC1)Cc1ccccc12 ZINC000096242418 275627238 /nfs/dbraw/zinc/62/72/38/275627238.db2.gz UGVFKTGQUGPBJT-UHFFFAOYSA-N 1 0 312.457 3.181 40 0 DGABRO CC(C)n1cnc2c1cc(C1CC[NH2+]CC1)nc2N1CCCC1 ZINC000107489359 275789489 /nfs/dbraw/zinc/78/94/89/275789489.db2.gz BBNVSNOSWFXVSI-UHFFFAOYSA-N 1 0 313.449 3.079 40 0 DGABRO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000195575950 275908563 /nfs/dbraw/zinc/90/85/63/275908563.db2.gz PMRZOBMWZYNEMI-ZHALLVOQSA-N 1 0 307.478 3.496 40 0 DGABRO c1ccc2c(c1)[nH]c1c2CCN2[C@@H]3CC[C@H]([C@H]12)[C@H]1[NH2+]CCC[C@@H]31 ZINC000001657911 431233677 /nfs/dbraw/zinc/23/36/77/431233677.db2.gz SBGPASZOVGSOFJ-CHBAHTGHSA-N 1 0 307.441 3.228 40 0 biogenic DGABRO CC(C)C[NH2+]CCC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 ZINC000001671428 431234847 /nfs/dbraw/zinc/23/48/47/431234847.db2.gz CJZLTBIXYGUPLS-UHFFFAOYSA-N 1 0 320.433 3.074 40 0 DGABRO CC(=O)O[C@@H](c1ccnc2ccccc21)[C@H]1CC2CC[NH+]1CC2 ZINC000001680258 431235068 /nfs/dbraw/zinc/23/50/68/431235068.db2.gz AQPAKLCDHXUDCB-MOPGFXCFSA-N 1 0 310.397 3.323 40 0 DGABRO O=C(C[NH+]1CCCCCC1)Nc1ccc(N2CCCC2)cc1 ZINC000007358186 431344611 /nfs/dbraw/zinc/34/46/11/431344611.db2.gz JQLTVNPEUSVMME-UHFFFAOYSA-N 1 0 301.434 3.101 40 0 DGABRO CCO[C@@H]1CC2(CC[NH+]([C@@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241672 279764644 /nfs/dbraw/zinc/76/46/44/279764644.db2.gz ZRJQGKGCUGUYHW-CRAIPNDOSA-N 1 0 319.420 3.430 40 0 DGABRO COc1ccc([C@@H]2Nc3ccccc3C3=[NH+]CCCN32)cc1OC ZINC000012144184 431494376 /nfs/dbraw/zinc/49/43/76/431494376.db2.gz BOOFBLOTAIORIX-GOSISDBHSA-N 1 0 323.396 3.280 40 0 DGABRO CN(C)c1ncc(C[NH2+]C2(c3ccccc3F)CCCC2)cn1 ZINC000012328656 431500553 /nfs/dbraw/zinc/50/05/53/431500553.db2.gz UAUNRSJRDJWQGS-UHFFFAOYSA-N 1 0 314.408 3.241 40 0 DGABRO CCn1ncc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)c1C ZINC000012344255 431502504 /nfs/dbraw/zinc/50/25/04/431502504.db2.gz FEOAIFCXDWAOEE-UHFFFAOYSA-N 1 0 313.445 3.003 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1OC ZINC000013649269 431562568 /nfs/dbraw/zinc/56/25/68/431562568.db2.gz CPGAXQUSGVQRQQ-HNNXBMFYSA-N 1 0 304.434 3.080 40 0 DGABRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)o1 ZINC000013227686 431551157 /nfs/dbraw/zinc/55/11/57/431551157.db2.gz GCVZIWCVSFDOJO-WDYCEAGBSA-N 1 0 312.413 3.021 40 0 DGABRO C[n+]1ncc2ccccc2c1Cc1ccc(Br)cc1 ZINC000001733195 280180966 /nfs/dbraw/zinc/18/09/66/280180966.db2.gz YJWGXMNXJSBAQC-UHFFFAOYSA-N 1 0 314.206 3.413 40 0 DGABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000026781553 431679201 /nfs/dbraw/zinc/67/92/01/431679201.db2.gz BLXHPQHXJOYOKB-RVKKMQEKSA-N 1 0 303.446 3.178 40 0 DGABRO CC(C)(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038832338 431855875 /nfs/dbraw/zinc/85/58/75/431855875.db2.gz FMMQXCVWFQZAGL-AWEZNQCLSA-N 1 0 308.853 3.467 40 0 DGABRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000089223588 431862002 /nfs/dbraw/zinc/86/20/02/431862002.db2.gz WRKFFLDTHRUFCE-CQSZACIVSA-N 1 0 308.397 3.172 40 0 DGABRO O=C(Nc1ccc(F)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000035289756 431827912 /nfs/dbraw/zinc/82/79/12/431827912.db2.gz HSYBLSGBTZSSRH-ZXFUBFMLSA-N 1 0 317.408 3.495 40 0 DGABRO CC(C)c1ccc(CCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000036614029 431839587 /nfs/dbraw/zinc/83/95/87/431839587.db2.gz VQTMZYPGFBMIJF-SFHVURJKSA-N 1 0 300.446 3.049 40 0 DGABRO Cc1ccc(C)c(CC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000044950179 431879596 /nfs/dbraw/zinc/87/95/96/431879596.db2.gz OSDCUKDKSBLHKL-CALCHBBNSA-N 1 0 316.489 3.330 40 0 DGABRO O=C1CCOC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000095951721 431927788 /nfs/dbraw/zinc/92/77/88/431927788.db2.gz ZYNSKBKVJJHUEL-ZJOUEHCJSA-N 1 0 321.420 3.260 40 0 DGABRO Cc1ccc(C[NH+]2CCC3(CC2)COCCN3CC2CC2)s1 ZINC000096048916 431935114 /nfs/dbraw/zinc/93/51/14/431935114.db2.gz OQEIMYQONLQSDX-UHFFFAOYSA-N 1 0 320.502 3.133 40 0 DGABRO FC1(F)CC[N@H+](CC2CC2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096051136 431935417 /nfs/dbraw/zinc/93/54/17/431935417.db2.gz BVOLRCASRQZKOC-MRXNPFEDSA-N 1 0 307.388 3.029 40 0 DGABRO Fc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccsc4)C[C@@H]3C2)c1 ZINC000096053855 431936340 /nfs/dbraw/zinc/93/63/40/431936340.db2.gz HOBCYVPQUSKGDG-CALCHBBNSA-N 1 0 316.445 3.451 40 0 DGABRO Fc1cccc(CN2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC000096053851 431936835 /nfs/dbraw/zinc/93/68/35/431936835.db2.gz XTCYPGILFWGFKQ-HZPDHXFCSA-N 1 0 316.445 3.451 40 0 DGABRO c1ccc(C[N@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC000096065712 431937115 /nfs/dbraw/zinc/93/71/15/431937115.db2.gz UCZFMYLEMUBIAL-UFYCRDLUSA-N 1 0 324.424 3.030 40 0 DGABRO Cc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)s1 ZINC000096053795 431937343 /nfs/dbraw/zinc/93/73/43/431937343.db2.gz VIGHMSDUAOAPSU-HZPDHXFCSA-N 1 0 313.470 3.015 40 0 DGABRO c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2ccccn2)nc1 ZINC000096081928 431937697 /nfs/dbraw/zinc/93/76/97/431937697.db2.gz VYZAOHYMKFZPSJ-YQVWRLOYSA-N 1 0 322.456 3.437 40 0 DGABRO c1ccc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2ccncc2)C3)nc1 ZINC000096111046 431938859 /nfs/dbraw/zinc/93/88/59/431938859.db2.gz FXGIZQVKPNJGSJ-QUCCMNQESA-N 1 0 323.440 3.296 40 0 DGABRO c1cc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)cs1 ZINC000096106609 431939227 /nfs/dbraw/zinc/93/92/27/431939227.db2.gz WQGBUADLDUSHJP-MRXNPFEDSA-N 1 0 307.459 3.298 40 0 DGABRO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@H+](CC1CCC1)C2 ZINC000096159694 431940881 /nfs/dbraw/zinc/94/08/81/431940881.db2.gz MCIOEVLAYHTGRV-LJQANCHMSA-N 1 0 316.420 3.050 40 0 DGABRO Cc1nc(CN2CCC3(C[NH+](Cc4ccsc4)C3)C2)cs1 ZINC000096202524 431942164 /nfs/dbraw/zinc/94/21/64/431942164.db2.gz RSXQRHQQQFJADS-UHFFFAOYSA-N 1 0 319.499 3.221 40 0 DGABRO Cc1ccsc1C[N@@H+]1CC[C@@H](OCC2CC2)[C@H]2OCC[C@@H]21 ZINC000096220604 431943219 /nfs/dbraw/zinc/94/32/19/431943219.db2.gz AVMDFRGZWOLOFR-UXLLHSPISA-N 1 0 307.459 3.215 40 0 DGABRO c1cc(CO[C@@H]2CCOC3(C[NH+](CC4CCCC4)C3)C2)ccn1 ZINC000248341308 432280231 /nfs/dbraw/zinc/28/02/31/432280231.db2.gz WFOKXBPAMRPGPC-GOSISDBHSA-N 1 0 316.445 3.022 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCN(CC4CC4)[C@H]3CC2)s1 ZINC000248052814 432264398 /nfs/dbraw/zinc/26/43/98/432264398.db2.gz BIMIPXCXRUOKAD-ROUUACIJSA-N 1 0 320.502 3.132 40 0 DGABRO C[NH+](C)CC[C@H]1CN(Cc2cccc(Cl)c2)Cc2cncn21 ZINC000248069365 432267140 /nfs/dbraw/zinc/26/71/40/432267140.db2.gz AQUBMGKXPQOTMY-INIZCTEOSA-N 1 0 318.852 3.045 40 0 DGABRO CCc1ccc(CC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260841324 432428463 /nfs/dbraw/zinc/42/84/63/432428463.db2.gz NNKMNXGLZWUFTQ-INIZCTEOSA-N 1 0 302.462 3.030 40 0 DGABRO Fc1ccccc1OCCC[N@@H+]1CCC[C@@H](c2cnccn2)C1 ZINC000257234460 432420030 /nfs/dbraw/zinc/42/00/30/432420030.db2.gz GTPLKUUUOFSIAB-OAHLLOKOSA-N 1 0 315.392 3.264 40 0 DGABRO c1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000257224643 432421425 /nfs/dbraw/zinc/42/14/25/432421425.db2.gz FCRRTEXNRXDKBA-AWEZNQCLSA-N 1 0 311.433 3.379 40 0 DGABRO C[C@]12CCCC[N@H+](Cc3ccc4ncccc4c3)[C@H]1CCC(=O)N2 ZINC000257237023 432421488 /nfs/dbraw/zinc/42/14/88/432421488.db2.gz HEVVJEHXHPGEFD-ICSRJNTNSA-N 1 0 323.440 3.258 40 0 DGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)cn3C)C2)c(F)c1 ZINC000257240614 432422313 /nfs/dbraw/zinc/42/23/13/432422313.db2.gz HUIHIKTYEBGZAW-HNNXBMFYSA-N 1 0 317.408 3.256 40 0 DGABRO c1ncc(C[N@@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)s1 ZINC000257242160 432423225 /nfs/dbraw/zinc/42/32/25/432423225.db2.gz IBJBEIUHCICXID-FOLVSLTJSA-N 1 0 300.427 3.433 40 0 DGABRO CNc1cncc([C@H]2CCC[N@@H+]2Cc2cccc3cccnc32)n1 ZINC000257269769 432424680 /nfs/dbraw/zinc/42/46/80/432424680.db2.gz MRHUOWFEBWKSQI-QGZVFWFLSA-N 1 0 319.412 3.404 40 0 DGABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CC2)CC1 ZINC000257270185 432425685 /nfs/dbraw/zinc/42/56/85/432425685.db2.gz MTCCMEDODPNOBJ-MPGHIAIKSA-N 1 0 315.461 3.017 40 0 DGABRO Cc1cccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000225731764 432695802 /nfs/dbraw/zinc/69/58/02/432695802.db2.gz UYGHSBNXHZUJRS-OKILXGFUSA-N 1 0 320.506 3.044 40 0 DGABRO O=C(NCCC[NH+]1CCCC1)C1(c2ccccc2)CCCC1 ZINC000222588391 432671751 /nfs/dbraw/zinc/67/17/51/432671751.db2.gz WKSBEUZKZIFJHZ-UHFFFAOYSA-N 1 0 300.446 3.101 40 0 DGABRO Cc1ccc(CCC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000223538192 432677537 /nfs/dbraw/zinc/67/75/37/432677537.db2.gz QMRLFIRUHNYJSB-MRXNPFEDSA-N 1 0 316.489 3.474 40 0 DGABRO COc1ccc(CN2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000224087423 432679382 /nfs/dbraw/zinc/67/93/82/432679382.db2.gz XSVHECDLKBVVBE-IPMKNSEASA-N 1 0 312.457 3.025 40 0 DGABRO CCC(CC)C[N@@H+]1CCC[C@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099578 547025182 /nfs/dbraw/zinc/02/51/82/547025182.db2.gz RARTZFNNBWIKOG-QGZVFWFLSA-N 1 0 321.490 3.004 40 0 DGABRO COCC[C@@H]1Cn2cccc2C[N@H+](Cc2ccc(OC)cc2)C1 ZINC000585094669 547025385 /nfs/dbraw/zinc/02/53/85/547025385.db2.gz YBTWMQLZAQNABW-KRWDZBQOSA-N 1 0 314.429 3.165 40 0 DGABRO CCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]([NH3+])C(C)C ZINC000079420361 185170724 /nfs/dbraw/zinc/17/07/24/185170724.db2.gz XIGSGXJYDQOHTP-ZDUSSCGKSA-N 1 0 303.233 3.325 40 0 DGABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225618266 186284120 /nfs/dbraw/zinc/28/41/20/186284120.db2.gz JECRNGWWJCZHAT-SFHVURJKSA-N 1 0 322.449 3.161 40 0 DGABRO C[C@H](NC(=O)CC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000072344537 191128164 /nfs/dbraw/zinc/12/81/64/191128164.db2.gz HRZXHVHVOGNQLQ-INIZCTEOSA-N 1 0 314.473 3.246 40 0 DGABRO CN(C)C(=O)c1cccc([C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000072355751 191130727 /nfs/dbraw/zinc/13/07/27/191130727.db2.gz MWVFLPAISRXEKF-QGZVFWFLSA-N 1 0 301.434 3.253 40 0 DGABRO Cc1nc(NCc2cccc(F)c2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072365083 191134623 /nfs/dbraw/zinc/13/46/23/191134623.db2.gz BWOZFYXURXWEOZ-AWEZNQCLSA-N 1 0 300.381 3.003 40 0 DGABRO Cn1cc(C[N@@H+]2CC[C@H](Cc3cnc4ccccc4c3)C2)cn1 ZINC000072368000 191137010 /nfs/dbraw/zinc/13/70/10/191137010.db2.gz KIEFWYOWKACWRZ-OAHLLOKOSA-N 1 0 306.413 3.033 40 0 DGABRO Cc1ccccc1-c1noc([C@H]2CC[N@H+](Cc3ccncc3)C2)n1 ZINC000072369936 191139326 /nfs/dbraw/zinc/13/93/26/191139326.db2.gz FMXKRAWFBGNUCN-INIZCTEOSA-N 1 0 320.396 3.430 40 0 DGABRO Cc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000072389923 191147306 /nfs/dbraw/zinc/14/73/06/191147306.db2.gz MDIPXWRWUSWUMK-KRWDZBQOSA-N 1 0 320.396 3.430 40 0 DGABRO c1csc(C[NH2+]Cc2cc(-c3ccccc3)cn3nnnc23)c1 ZINC000072392291 191147582 /nfs/dbraw/zinc/14/75/82/191147582.db2.gz GLFAKFZKTYJDGD-UHFFFAOYSA-N 1 0 321.409 3.143 40 0 DGABRO c1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389898 191147672 /nfs/dbraw/zinc/14/76/72/191147672.db2.gz PUYIGATWCVSXBF-MRXNPFEDSA-N 1 0 306.369 3.121 40 0 DGABRO c1ccc(CCC[N@@H+]2CCC[C@H](c3[nH]nc4nccnc43)C2)cc1 ZINC000072393830 191149184 /nfs/dbraw/zinc/14/91/84/191149184.db2.gz KJZIXWLKJNOYFJ-INIZCTEOSA-N 1 0 321.428 3.165 40 0 DGABRO Fc1ccc([C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2c2cc[nH]n2)cc1 ZINC000072395568 191149599 /nfs/dbraw/zinc/14/95/99/191149599.db2.gz TZWOJCNTBJFICE-ZWKOTPCHSA-N 1 0 322.387 3.327 40 0 DGABRO C[N@@H+]1CCC[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000072829245 191235212 /nfs/dbraw/zinc/23/52/12/191235212.db2.gz KXZHTSHYQNYVQR-GOSISDBHSA-N 1 0 308.425 3.234 40 0 DGABRO C[C@@H]1CCCC(C)(C)[C@@H]1[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001711729 180890340 /nfs/dbraw/zinc/89/03/40/180890340.db2.gz RQBCMASLXMHIPZ-CZUORRHYSA-N 1 0 304.434 3.230 40 0 DGABRO CC(=O)Nc1ccc(OCC[n+]2ccc3ccccc3c2)cc1 ZINC000003148540 180985596 /nfs/dbraw/zinc/98/55/96/180985596.db2.gz DZYPNRAJFCUSSF-UHFFFAOYSA-O 1 0 307.373 3.165 40 0 DGABRO CCOc1ccc2[nH]c(=O)c(C[NH2+]C3CCCCC3)cc2c1 ZINC000004130505 181077499 /nfs/dbraw/zinc/07/74/99/181077499.db2.gz LJBXJEWETWAFFF-UHFFFAOYSA-N 1 0 300.402 3.349 40 0 DGABRO Fc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)cc1 ZINC000107731384 432038658 /nfs/dbraw/zinc/03/86/58/432038658.db2.gz XFUMQKSJHUFULB-QZTJIDSGSA-N 1 0 315.392 3.018 40 0 DGABRO C[NH+](C)CCCO[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000004769417 181149554 /nfs/dbraw/zinc/14/95/54/181149554.db2.gz ZNIVSAVTRWQQHB-JOCHJYFZSA-N 1 0 317.454 3.408 40 0 DGABRO CC(C)Oc1ccc(C(=O)N2CC[NH+]=Cc3cc(N)ccc32)cc1 ZINC000073642381 191335377 /nfs/dbraw/zinc/33/53/77/191335377.db2.gz NCPQZNWPSQKVMJ-UHFFFAOYSA-N 1 0 323.396 3.135 40 0 DGABRO COCc1cccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000179221278 432050852 /nfs/dbraw/zinc/05/08/52/432050852.db2.gz NCMDIIXIYMSGKG-LJQANCHMSA-N 1 0 302.462 3.283 40 0 DGABRO NC(=[NH2+])SCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000261526660 283262122 /nfs/dbraw/zinc/26/21/22/283262122.db2.gz GEOZKLLIDQVIIK-UHFFFAOYSA-N 1 0 311.410 3.077 40 0 DGABRO CC(=O)Oc1cccc2ccc(/C=C/c3ccc[n+](C)c3)nc21 ZINC000005883429 181292999 /nfs/dbraw/zinc/29/29/99/181292999.db2.gz XVIULEJVUAILNT-CSKARUKUSA-N 1 0 305.357 3.155 40 0 DGABRO CC[C@H](OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000006355967 181333862 /nfs/dbraw/zinc/33/38/62/181333862.db2.gz NKYWMAGCRMHOMJ-NBMJBFSESA-N 1 0 305.462 3.493 40 0 DGABRO CC[C@H](OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000006355955 181333925 /nfs/dbraw/zinc/33/39/25/181333925.db2.gz NKYWMAGCRMHOMJ-JFRXWTBNSA-N 1 0 305.462 3.493 40 0 DGABRO Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000006503771 181346456 /nfs/dbraw/zinc/34/64/56/181346456.db2.gz BJICGNVCCYBCAT-LJQANCHMSA-N 1 0 311.425 3.101 40 0 DGABRO CCn1nccc1-c1cc(C)nc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257278501 203005937 /nfs/dbraw/zinc/00/59/37/203005937.db2.gz OCMNUCYQEIVRFK-HNNXBMFYSA-N 1 0 313.449 3.256 40 0 DGABRO O[C@H]1CC[N@H+](Cc2ccsc2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257275581 203003396 /nfs/dbraw/zinc/00/33/96/203003396.db2.gz NPYSZPSWNXAXKF-IRXDYDNUSA-N 1 0 321.417 3.292 40 0 DGABRO Cc1nc([C@@H]2CCC[NH2+]C2)nc2c1CCCN2Cc1ccccc1 ZINC000257275001 203003550 /nfs/dbraw/zinc/00/35/50/203003550.db2.gz NNOTZJPKDKCCAU-QGZVFWFLSA-N 1 0 322.456 3.205 40 0 DGABRO COc1cccc(F)c1C[N@@H+]1CCC[C@H](c2cnccn2)C1 ZINC000257295975 203021231 /nfs/dbraw/zinc/02/12/31/203021231.db2.gz RAQSTLXDOYJBMW-ZDUSSCGKSA-N 1 0 301.365 3.004 40 0 DGABRO COc1ccccc1C(=O)N1CCCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257310240 203035354 /nfs/dbraw/zinc/03/53/54/203035354.db2.gz UEIORPBFOVDRRH-HKUYNNGSSA-N 1 0 316.445 3.174 40 0 DGABRO Cc1c[nH]c([C@@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000257319789 203042236 /nfs/dbraw/zinc/04/22/36/203042236.db2.gz VUAQQADBRUPQAI-CQSZACIVSA-N 1 0 303.381 3.116 40 0 DGABRO CCCCn1cc(C[N@@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)c(C)n1 ZINC000257319569 203042539 /nfs/dbraw/zinc/04/25/39/203042539.db2.gz VTBLYJZVZMNPQI-OAHLLOKOSA-N 1 0 301.438 3.013 40 0 DGABRO Cc1cc2nccc(C3CC[NH+](Cc4cnccc4C)CC3)n2n1 ZINC000257321807 203044349 /nfs/dbraw/zinc/04/43/49/203044349.db2.gz WDICZADORKPWKU-UHFFFAOYSA-N 1 0 321.428 3.121 40 0 DGABRO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2C)nc1 ZINC000257324366 203049221 /nfs/dbraw/zinc/04/92/21/203049221.db2.gz WOJZLCIQQZGACZ-FQEVSTJZSA-N 1 0 323.440 3.363 40 0 DGABRO Cc1csc([C@H](Cc2cccs2)[NH2+]C[C@@H]2CCOC2)n1 ZINC000019240063 182112093 /nfs/dbraw/zinc/11/20/93/182112093.db2.gz AYVYFHARSMCODH-JSGCOSHPSA-N 1 0 308.472 3.423 40 0 DGABRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)CCc2ccccc21 ZINC000019371890 182120331 /nfs/dbraw/zinc/12/03/31/182120331.db2.gz HXKIYFMECACYHW-FQEVSTJZSA-N 1 0 306.409 3.007 40 0 DGABRO CCN1CCC[C@@H]1C[N@@H+](Cc1cccs1)C[C@@H]1CCOC1 ZINC000019527201 182128546 /nfs/dbraw/zinc/12/85/46/182128546.db2.gz UKUKYVWIMRXJCB-JKSUJKDBSA-N 1 0 308.491 3.071 40 0 DGABRO C[C@@H]1C[NH+](Cc2c3ncccc3[nH]c2-c2cccnc2)C[C@@H](C)O1 ZINC000019717969 182137623 /nfs/dbraw/zinc/13/76/23/182137623.db2.gz YHHNBMRJYBQORH-ZIAGYGMSSA-N 1 0 322.412 3.234 40 0 DGABRO CCn1nc(C)c(-c2cncn2CCC[NH+]2CCCCC2)c1C ZINC000019719549 182138149 /nfs/dbraw/zinc/13/81/49/182138149.db2.gz GJVXXDRAJPYRSV-UHFFFAOYSA-N 1 0 315.465 3.259 40 0 DGABRO Clc1ccc(OCC2CC[NH+](Cc3cnc[nH]3)CC2)cc1 ZINC000019656959 182134680 /nfs/dbraw/zinc/13/46/80/182134680.db2.gz JBEONJOLKYMGOO-UHFFFAOYSA-N 1 0 305.809 3.354 40 0 DGABRO C[C@H]1CCCN([C@@H](C[NH3+])c2ccccc2OC(F)(F)F)C1 ZINC000021008945 182259351 /nfs/dbraw/zinc/25/93/51/182259351.db2.gz FALFGAHFGMNHNS-AAEUAGOBSA-N 1 0 302.340 3.317 40 0 DGABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccncc3)cc2)C1 ZINC000022532166 182325927 /nfs/dbraw/zinc/32/59/27/182325927.db2.gz CRBUQWQDFYQZRW-MRXNPFEDSA-N 1 0 323.440 3.244 40 0 DGABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+](C)C ZINC000022515106 182324133 /nfs/dbraw/zinc/32/41/33/182324133.db2.gz MIZAMTAXGMHMDR-CQSZACIVSA-N 1 0 314.882 3.279 40 0 DGABRO COc1ccccc1NC(=O)NCCC[NH+]1CCCCCC1 ZINC000024367655 182379634 /nfs/dbraw/zinc/37/96/34/182379634.db2.gz VPGAJMAVYGFUSS-UHFFFAOYSA-N 1 0 305.422 3.083 40 0 DGABRO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832931 183011227 /nfs/dbraw/zinc/01/12/27/183011227.db2.gz AFKMWXGXCLHLOQ-HXUWFJFHSA-N 1 0 322.452 3.258 40 0 DGABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccccc2F)C1 ZINC000044080812 183394423 /nfs/dbraw/zinc/39/44/23/183394423.db2.gz PWSSOYAHGFOPCZ-CYBMUJFWSA-N 1 0 309.454 3.234 40 0 DGABRO CCc1cccc(C)c1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104970641 194060143 /nfs/dbraw/zinc/06/01/43/194060143.db2.gz WAYSQXOHQWGJLX-INIZCTEOSA-N 1 0 301.434 3.259 40 0 DGABRO CCOc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1cccs1 ZINC000008254745 256522977 /nfs/dbraw/zinc/52/29/77/256522977.db2.gz UDNLOXJGNCHVNV-CYBMUJFWSA-N 1 0 321.442 3.196 40 0 DGABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1I ZINC000072225966 257123345 /nfs/dbraw/zinc/12/33/45/257123345.db2.gz DSRMYCSDIKWRLD-LBPRGKRZSA-N 1 0 324.165 3.043 40 0 DGABRO C[C@@H]1CN([C@H](C[NH3+])c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000020549077 257130244 /nfs/dbraw/zinc/13/02/44/257130244.db2.gz XFLUILIYAOXTNV-GPCCPHFNSA-N 1 0 303.233 3.102 40 0 DGABRO c1cncc(CO[C@H]2CSC3(C[NH+](CC4CCCC4)C3)C2)c1 ZINC000585103953 400125480 /nfs/dbraw/zinc/12/54/80/400125480.db2.gz FAKAGKKVOVNDEC-QGZVFWFLSA-N 1 0 318.486 3.348 40 0 DGABRO c1ccc(CO[C@@H]2CSC3(C[NH+](CC4CCCC4)C3)C2)nc1 ZINC000585103223 400125706 /nfs/dbraw/zinc/12/57/06/400125706.db2.gz AFGFAMASCRLJCS-KRWDZBQOSA-N 1 0 318.486 3.348 40 0 DGABRO Cc1cccc(CO[C@@H]2CSC3(C[NH+](C4CCCC4)C3)C2)n1 ZINC000585105056 400125822 /nfs/dbraw/zinc/12/58/22/400125822.db2.gz OKWNMDJFWWGDBS-KRWDZBQOSA-N 1 0 318.486 3.409 40 0 DGABRO Cc1ccc(CC(=O)N2CCC([C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000585113253 400126196 /nfs/dbraw/zinc/12/61/96/400126196.db2.gz VGSCOPDTELPVBN-LJQANCHMSA-N 1 0 314.473 3.260 40 0 DGABRO O=[N+](NOCc1ccccc1)c1cccc(Br)c1 ZINC000585162755 400130429 /nfs/dbraw/zinc/13/04/29/400130429.db2.gz CWPXTPHOOLBVRE-UHFFFAOYSA-N 1 0 308.155 3.496 40 0 DGABRO CC(C)c1ccc(CCC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000010364274 400133432 /nfs/dbraw/zinc/13/34/32/400133432.db2.gz WLYHWFYFJFWZOV-UHFFFAOYSA-N 1 0 302.462 3.345 40 0 DGABRO CCn1c2ccccc2nc1CN1CC[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019712167 400186745 /nfs/dbraw/zinc/18/67/45/400186745.db2.gz BYTLRSIPKQNBPP-DOTOQJQBSA-N 1 0 312.461 3.163 40 0 DGABRO COc1ccccc1/C=C/CN1CC[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019712500 400186794 /nfs/dbraw/zinc/18/67/94/400186794.db2.gz AGNBNOONGAZQFU-XJMNNFRSSA-N 1 0 300.446 3.315 40 0 DGABRO C[C@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000036108196 400389513 /nfs/dbraw/zinc/38/95/13/400389513.db2.gz VWNPDOBODKGLFJ-KWBADKCTSA-N 1 0 303.233 3.102 40 0 DGABRO Cc1ccc2c(c1)CN(Cc1ccsc1)[C@@H](C[NH+](C)C)CO2 ZINC000072395304 292326260 /nfs/dbraw/zinc/32/62/60/292326260.db2.gz YGDOXZIXIRFOGW-KRWDZBQOSA-N 1 0 316.470 3.381 40 0 DGABRO c1cncc(CO[C@@H]2CSC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC000247918855 432255055 /nfs/dbraw/zinc/25/50/55/432255055.db2.gz ZZPGZJVJQKMHKG-INIZCTEOSA-N 1 0 304.459 3.101 40 0 DGABRO c1cc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)co1 ZINC000306133953 275064576 /nfs/dbraw/zinc/06/45/76/275064576.db2.gz NAFLIOPQGUPNNO-ZWKOTPCHSA-N 1 0 319.408 3.447 40 0 DGABRO CC(C)(C)OC(=O)N1CCC2(C[C@H]([NH3+])c3ccc(F)cc32)CC1 ZINC000079027373 275823072 /nfs/dbraw/zinc/82/30/72/275823072.db2.gz YSWFRCGDDVZCHS-HNNXBMFYSA-N 1 0 320.408 3.498 40 0 DGABRO CC[NH+](CC)CC[C@@]12C[C@@H](C)OC1=Nc1ccccc1NC2=O ZINC000001609117 276101926 /nfs/dbraw/zinc/10/19/26/276101926.db2.gz PYBOAHCWXQSJAD-ACJLOTCBSA-N 1 0 315.417 3.196 40 0 DGABRO CC[NH+](CC)CC[C@@]12C[C@H](C)OC1=Nc1ccccc1NC2=O ZINC000001609119 276329272 /nfs/dbraw/zinc/32/92/72/276329272.db2.gz PYBOAHCWXQSJAD-UGSOOPFHSA-N 1 0 315.417 3.196 40 0 DGABRO COCC[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nnc(C)o2)C[C@H]1C(C)C ZINC000035442621 277535119 /nfs/dbraw/zinc/53/51/19/277535119.db2.gz FUXBJSFYKPGDPL-ULQDDVLXSA-N 1 0 321.465 3.011 40 0 biogenic,in-vitro DGABRO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000021809529 277911289 /nfs/dbraw/zinc/91/12/89/277911289.db2.gz SUZPBBSUTBAACQ-RULNRJAQSA-N 1 0 303.233 3.102 40 0 DGABRO Cc1ccc(C[NH+]2CCC3(CC(NC(=O)N(C)C)C3)CC2)cc1 ZINC000108534302 431146242 /nfs/dbraw/zinc/14/62/42/431146242.db2.gz NCTDQMXGQZKBRY-UHFFFAOYSA-N 1 0 315.461 3.011 40 0 DGABRO Cc1ccc(C[NH+]2CCC3(CC(NC(=O)N(C)C)C3)CC2)s1 ZINC000108531455 431147834 /nfs/dbraw/zinc/14/78/34/431147834.db2.gz OWJISNXNBYZLRH-UHFFFAOYSA-N 1 0 321.490 3.072 40 0 DGABRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000002684792 431263457 /nfs/dbraw/zinc/26/34/57/431263457.db2.gz DTBHTBRIQWMLAA-MRXNPFEDSA-N 1 0 321.461 3.433 40 0 DGABRO Cc1ccc(C2=CCN(CC(=O)N3CCCC[C@@H]3C)CC2)o1 ZINC000072342261 431334301 /nfs/dbraw/zinc/33/43/01/431334301.db2.gz BPBFEQMHFAWIPO-AWEZNQCLSA-N 1 0 302.418 3.078 40 0 DGABRO Cc1cccc(O[C@H](C)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000010111313 431453704 /nfs/dbraw/zinc/45/37/04/431453704.db2.gz XDARBNYXEUHAJL-QGZVFWFLSA-N 1 0 318.461 3.145 40 0 DGABRO C[NH+](C)CCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000010111498 431453719 /nfs/dbraw/zinc/45/37/19/431453719.db2.gz UKVDXGXKKYNMQD-UHFFFAOYSA-N 1 0 314.454 3.270 40 0 DGABRO Cc1cccc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)n1 ZINC000012088439 431491736 /nfs/dbraw/zinc/49/17/36/431491736.db2.gz SSQAOVWIZLMLOT-UHFFFAOYSA-N 1 0 324.424 3.334 40 0 DGABRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2(c3ccccc3F)CC2)C1 ZINC000012199488 431498242 /nfs/dbraw/zinc/49/82/42/431498242.db2.gz YSMQHTGOINIPRT-OAHLLOKOSA-N 1 0 318.436 3.094 40 0 DGABRO Fc1ccc(C[NH+]2CCC(n3cnc4cccnc43)CC2)cc1 ZINC000013266789 431552262 /nfs/dbraw/zinc/55/22/62/431552262.db2.gz WKVZNRNHWXGDJQ-UHFFFAOYSA-N 1 0 310.376 3.408 40 0 DGABRO C[C@H](Oc1ccccc1Cl)C(=O)NCC[NH+]1CCCCCC1 ZINC000013710082 431567843 /nfs/dbraw/zinc/56/78/43/431567843.db2.gz DGOLYTCAMAIGKR-AWEZNQCLSA-N 1 0 324.852 3.100 40 0 DGABRO FC(F)(F)c1ccc(O[C@H]2COCC[N@H+](CC3CC3)C2)cc1 ZINC000077265618 431577366 /nfs/dbraw/zinc/57/73/66/431577366.db2.gz HALDFWAKKUNNAR-OAHLLOKOSA-N 1 0 315.335 3.195 40 0 biogenic,in-vitro DGABRO C[NH+](C)CCN1C(=S)c2cccc3cccc(c32)C1=S ZINC000026897388 431680020 /nfs/dbraw/zinc/68/00/20/431680020.db2.gz WLIXDFNKSLPFTK-UHFFFAOYSA-N 1 0 300.452 3.068 40 0 DGABRO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000020009116 288246443 /nfs/dbraw/zinc/24/64/43/288246443.db2.gz VWNPDOBODKGLFJ-CWSCBRNRSA-N 1 0 303.233 3.102 40 0 DGABRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221068 431702375 /nfs/dbraw/zinc/70/23/75/431702375.db2.gz JNOVUQUBOJDOAH-OAHLLOKOSA-N 1 0 308.853 3.468 40 0 DGABRO O=C(C[NH2+]Cc1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000035311473 431830319 /nfs/dbraw/zinc/83/03/19/431830319.db2.gz HQNOQEYFTJZITD-UHFFFAOYSA-N 1 0 323.440 3.405 40 0 DGABRO Cc1ccsc1C[N@H+]1CC[C@H]2C[C@H](c3nc(C)no3)O[C@@H]2C1 ZINC000096042733 431934995 /nfs/dbraw/zinc/93/49/95/431934995.db2.gz VUTHFZLSSCSXHJ-BFHYXJOUSA-N 1 0 319.430 3.100 40 0 DGABRO c1coc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)c1 ZINC000096046939 431935036 /nfs/dbraw/zinc/93/50/36/431935036.db2.gz BFINUIBTGMQNDY-IBGZPJMESA-N 1 0 311.429 3.163 40 0 DGABRO c1coc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)c1 ZINC000096046940 431935257 /nfs/dbraw/zinc/93/52/57/431935257.db2.gz BFINUIBTGMQNDY-LJQANCHMSA-N 1 0 311.429 3.163 40 0 DGABRO Fc1cccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4ccoc4)C3)C2)c1 ZINC000096047581 431935746 /nfs/dbraw/zinc/93/57/46/431935746.db2.gz KSDHVUXZTZPOEB-ZWKOTPCHSA-N 1 0 316.376 3.264 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4noc(C)n4)O[C@@H]3C2)s1 ZINC000096046183 431935789 /nfs/dbraw/zinc/93/57/89/431935789.db2.gz INKOXPGXYSATOI-NWANDNLSSA-N 1 0 319.430 3.100 40 0 DGABRO CNC(=O)C[C@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096052594 431936627 /nfs/dbraw/zinc/93/66/27/431936627.db2.gz PSSWSVLDTXXQMH-INIZCTEOSA-N 1 0 312.457 3.054 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)o1 ZINC000049169593 431936706 /nfs/dbraw/zinc/93/67/06/431936706.db2.gz VJBVOCJAPZEILI-AWEZNQCLSA-N 1 0 310.357 3.023 40 0 biogenic,in-vitro DGABRO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)s1 ZINC000096053734 431937131 /nfs/dbraw/zinc/93/71/31/431937131.db2.gz JYSXYYBSSDLCQK-IRXDYDNUSA-N 1 0 313.470 3.015 40 0 DGABRO CC(C)C[N@@H+]1CC[C@H](c2nnc(COc3ccc(F)cc3)o2)C1 ZINC000049170389 431937317 /nfs/dbraw/zinc/93/73/17/431937317.db2.gz DCVZZTJCPXHOCN-ZDUSSCGKSA-N 1 0 319.380 3.233 40 0 biogenic,in-vitro DGABRO Fc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC000096055837 431937363 /nfs/dbraw/zinc/93/73/63/431937363.db2.gz JBIHUZJBBNYOHO-MOPGFXCFSA-N 1 0 311.404 3.070 40 0 DGABRO CCCc1nnc([C@H]2CC[N@H+](Cc3c[nH]c4ccccc34)C2)o1 ZINC000049170306 431937459 /nfs/dbraw/zinc/93/74/59/431937459.db2.gz RJHCCASVDDSQSR-ZDUSSCGKSA-N 1 0 310.401 3.493 40 0 biogenic,in-vitro DGABRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1ccoc1)C2 ZINC000096100319 431937580 /nfs/dbraw/zinc/93/75/80/431937580.db2.gz JRQPZYCEMMICLQ-HXUWFJFHSA-N 1 0 322.408 3.180 40 0 DGABRO c1coc(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000096109310 431938761 /nfs/dbraw/zinc/93/87/61/431938761.db2.gz ZEMDHKZBBSDAAW-MJGOQNOKSA-N 1 0 312.413 3.494 40 0 DGABRO CO[C@H]1CC[N@H+](Cc2cc(C)on2)C[C@@H]1Cc1ccccc1 ZINC000096110495 431939123 /nfs/dbraw/zinc/93/91/23/431939123.db2.gz JSYRYJPDHROWCR-WMZOPIPTSA-N 1 0 300.402 3.063 40 0 DGABRO c1cc(C[NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)co1 ZINC000096106455 431939191 /nfs/dbraw/zinc/93/91/91/431939191.db2.gz VMWOBIDMBYXYEY-SFHVURJKSA-N 1 0 319.445 3.325 40 0 DGABRO CCC[N@@H+]1C[C@H]2Cc3c(c(-c4cccc(OC)c4)nn3C)[C@H]2C1 ZINC000096145656 431939380 /nfs/dbraw/zinc/93/93/80/431939380.db2.gz WRLFOBIKMGMMBY-ZBFHGGJFSA-N 1 0 311.429 3.077 40 0 DGABRO COC[C@H]1CN(Cc2cccs2)Cc2c1cnn2CC1CC1 ZINC000096197912 431941643 /nfs/dbraw/zinc/94/16/43/431941643.db2.gz SFVOESRSHHFUNA-CQSZACIVSA-N 1 0 317.458 3.100 40 0 DGABRO c1cc2n(n1)C[C@H](COCC1CC1)CN(Cc1ccsc1)C2 ZINC000096189089 431941933 /nfs/dbraw/zinc/94/19/33/431941933.db2.gz DGVJBZJIDDZUKQ-MRXNPFEDSA-N 1 0 317.458 3.003 40 0 DGABRO Cc1cccc(C[N@H+]2CCC[C@]3(CCCN3C(=O)C(C)C)C2)n1 ZINC000096214518 431942158 /nfs/dbraw/zinc/94/21/58/431942158.db2.gz LTUGWTKVYNWILR-IBGZPJMESA-N 1 0 315.461 3.003 40 0 DGABRO COC[C@@H]1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)[N@@H+]1C ZINC000096219140 431942410 /nfs/dbraw/zinc/94/24/10/431942410.db2.gz GPIBEYYEGHXMRX-HNNXBMFYSA-N 1 0 324.415 3.040 40 0 DGABRO c1cc(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)co1 ZINC000096218346 431942426 /nfs/dbraw/zinc/94/24/26/431942426.db2.gz XSSUYHYVNIHYQJ-MOPGFXCFSA-N 1 0 312.413 3.494 40 0 DGABRO Cc1csc(C[C@H]2OC[C@H]3C[N@H+](Cc4ccoc4)CC[C@H]32)n1 ZINC000096209854 431942810 /nfs/dbraw/zinc/94/28/10/431942810.db2.gz GWTQTJNHKPQJQS-BZUAXINKSA-N 1 0 318.442 3.124 40 0 DGABRO Cc1nc(CO[C@H]2CC[NH2+]C[C@@H]2Cc2ccccc2)cs1 ZINC000096220268 431942895 /nfs/dbraw/zinc/94/28/95/431942895.db2.gz XOVCUXZRXALWRH-RDJZCZTQSA-N 1 0 302.443 3.189 40 0 DGABRO Cc1ccc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)o1 ZINC000096255311 431943984 /nfs/dbraw/zinc/94/39/84/431943984.db2.gz GOPBGYSRRFBCBN-UHFFFAOYSA-N 1 0 320.396 3.041 40 0 DGABRO Fc1ccc(-c2n[nH]c3c2CC[N@H+](Cc2cccnc2)CC3)cc1 ZINC000096254388 431944172 /nfs/dbraw/zinc/94/41/72/431944172.db2.gz NZLZWEOXAXUARZ-UHFFFAOYSA-N 1 0 322.387 3.212 40 0 DGABRO c1ccc(-c2ncc3c(n2)[C@@]2(CC[N@@H+](CC4CC4)C2)COC3)cc1 ZINC000096244356 431944265 /nfs/dbraw/zinc/94/42/65/431944265.db2.gz SXROBPKSLAQVCO-HXUWFJFHSA-N 1 0 321.424 3.027 40 0 DGABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(Cc2ccccc2F)CC1 ZINC000098213851 431980423 /nfs/dbraw/zinc/98/04/23/431980423.db2.gz MYQFAJUXOXYTNT-UHFFFAOYSA-N 1 0 322.424 3.344 40 0 DGABRO Cc1cccnc1C[N@H+]1C[C@@H]2[C@H](Oc3cccnc3C)CC[C@@H]2C1 ZINC000257203087 432417807 /nfs/dbraw/zinc/41/78/07/432417807.db2.gz AOQKBCFZMZYPQC-FUHIMQAGSA-N 1 0 323.440 3.383 40 0 DGABRO Cc1nc(Nc2cc(C)nc([C@H]3CCC[N@@H+](C)C3)n2)sc1C ZINC000257236002 432419738 /nfs/dbraw/zinc/41/97/38/432419738.db2.gz HAKSHNVEUZPTND-ZDUSSCGKSA-N 1 0 317.462 3.411 40 0 DGABRO c1ccc(N2CCCC2)c(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000257223396 432419761 /nfs/dbraw/zinc/41/97/61/432419761.db2.gz DXDZXGYWABNHIO-KRWDZBQOSA-N 1 0 322.456 3.456 40 0 DGABRO c1ccc(N2CCCC2)c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257223397 432420927 /nfs/dbraw/zinc/42/09/27/432420927.db2.gz DXDZXGYWABNHIO-QGZVFWFLSA-N 1 0 322.456 3.456 40 0 DGABRO CCn1nccc1-c1cncc(C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257246702 432421791 /nfs/dbraw/zinc/42/17/91/432421791.db2.gz IVKOXMYUDANZRZ-OAHLLOKOSA-N 1 0 313.449 3.023 40 0 DGABRO Cc1nccc([C@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257241237 432422351 /nfs/dbraw/zinc/42/23/51/432422351.db2.gz HXGDWCXDRQSYDL-SFHVURJKSA-N 1 0 321.424 3.440 40 0 DGABRO CC[N@@H+]1CC[C@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1 ZINC000257254531 432422729 /nfs/dbraw/zinc/42/27/29/432422729.db2.gz KDMUBDMYVDVKBH-LBPRGKRZSA-N 1 0 303.435 3.103 40 0 DGABRO Cc1cc(C)c2c(N[C@H](C)C3CCC(C[NH3+])CC3)n[nH]c2n1 ZINC000257264491 432424873 /nfs/dbraw/zinc/42/48/73/432424873.db2.gz LUPSTFAMEUUQQA-IYXRBSQSSA-N 1 0 301.438 3.140 40 0 DGABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC000257269839 432425309 /nfs/dbraw/zinc/42/53/09/432425309.db2.gz MRPBTARLWGDERT-QGZVFWFLSA-N 1 0 310.445 3.308 40 0 DGABRO Cc1c[nH]c([C@@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257266504 432425716 /nfs/dbraw/zinc/42/57/16/432425716.db2.gz MDGXYTRXXPOOIO-QGZVFWFLSA-N 1 0 309.413 3.374 40 0 DGABRO C1CCC(O[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@@H]3CCCC[C@H]32)C1 ZINC000218838372 432660074 /nfs/dbraw/zinc/66/00/74/432660074.db2.gz ARUFQWJKFOKKNK-AKHDSKFASA-N 1 0 306.494 3.473 40 0 DGABRO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@@H+](Cc1ccccn1)C2 ZINC000225487962 432692737 /nfs/dbraw/zinc/69/27/37/432692737.db2.gz XVWJAKIGOAKROD-KRWDZBQOSA-N 1 0 323.396 3.121 40 0 biogenic,in-vitro DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cccc(OC)c1 ZINC000225763048 432697988 /nfs/dbraw/zinc/69/79/88/432697988.db2.gz SNZVTMNIOSRQRU-MRXNPFEDSA-N 1 0 319.449 3.471 40 0 DGABRO c1cc2c(cccc2C[NH2+]CCCc2nnc3n2CCCCC3)[nH]1 ZINC000236685555 432756963 /nfs/dbraw/zinc/75/69/63/432756963.db2.gz SRRDZLIXPDVMCD-UHFFFAOYSA-N 1 0 323.444 3.208 40 0 DGABRO CC1(C)CN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c2cccc(Cl)c21 ZINC000331734970 432960277 /nfs/dbraw/zinc/96/02/77/432960277.db2.gz ULKLQCJSUKXLEP-NEPJUHHUSA-N 1 0 321.852 3.275 40 0 DGABRO [NH3+]C[C@H]1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1 ZINC000022048566 295276327 /nfs/dbraw/zinc/27/63/27/295276327.db2.gz LSQOUBKWMBDIPL-NSHDSACASA-N 1 0 303.768 3.069 40 0 in-vitro DGABRO c1cc(C[C@H]2[C@@H](OCC3CC3)CC[N@@H+]2Cc2ccncc2)ccn1 ZINC000306131963 534468887 /nfs/dbraw/zinc/46/88/87/534468887.db2.gz KUCGCFVHMCLMSR-PMACEKPBSA-N 1 0 323.440 3.089 40 0 DGABRO COc1cc(NC(=O)[C@H]([NH3+])Cc2ccccc2)cc2ccccc21 ZINC000224556184 546267187 /nfs/dbraw/zinc/26/71/87/546267187.db2.gz NWIDLOZVSJGOFK-GOSISDBHSA-N 1 0 320.392 3.357 40 0 DGABRO Fc1c(-c2noc(C3CC[NH2+]CC3)n2)cccc1C(F)(F)F ZINC000199783263 563914468 /nfs/dbraw/zinc/91/44/68/563914468.db2.gz KICOVTYMZFNJBF-UHFFFAOYSA-N 1 0 315.270 3.362 40 0 DGABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccncc2)CC1 ZINC000255190338 575245665 /nfs/dbraw/zinc/24/56/65/575245665.db2.gz WOKTWTRIWZPVMJ-SHTZXODSSA-N 1 0 305.422 3.007 40 0 DGABRO CC(C)(C)[Si](C)(C)O[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000195957337 1177070030 /nfs/dbraw/zinc/07/00/30/1177070030.db2.gz NOGVPOUKDSTPPU-HOTGVXAUSA-N 1 0 307.510 3.254 40 0 DGABRO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccc(O)cc1 ZINC000199412807 1201701459 /nfs/dbraw/zinc/70/14/59/1201701459.db2.gz HANLKTNWHOEDKK-UHFFFAOYSA-N 1 0 323.352 3.134 40 0 DGABRO O=C1CCOC[C@@H]2[C@@H]1[C@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000248075793 1203794367 /nfs/dbraw/zinc/79/43/67/1203794367.db2.gz ZYNSKBKVJJHUEL-ZVDOUQERSA-N 1 0 321.420 3.260 40 0 DGABRO CC[C@H](C)Nc1nc(NCc2ccc(C)cc2)cc(C2CC2)[nH+]1 ZINC000328955951 529702574 /nfs/dbraw/zinc/70/25/74/529702574.db2.gz AEZUFGMTBFPIFE-AWEZNQCLSA-N 1 0 310.445 3.329 40 0 DGABRO CC(C)(C)OC(=O)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC000140767437 186028240 /nfs/dbraw/zinc/02/82/40/186028240.db2.gz KUZASNVBDDTXIM-UHFFFAOYSA-N 1 0 308.397 3.097 40 0 DGABRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000072203778 191075635 /nfs/dbraw/zinc/07/56/35/191075635.db2.gz RJJBZKVBRLYUMB-HUUCEWRRSA-N 1 0 319.449 3.379 40 0 DGABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C(C)(C)OC)cc1 ZINC000225599482 186282283 /nfs/dbraw/zinc/28/22/83/186282283.db2.gz PRLCHAPOYZUGOY-UHFFFAOYSA-N 1 0 322.449 3.161 40 0 DGABRO COc1cc(C)c(C(=O)NCCC[NH+]2CCCC2)cc1C(C)C ZINC000225662438 186287621 /nfs/dbraw/zinc/28/76/21/186287621.db2.gz KKWPEJCFNSNEIK-UHFFFAOYSA-N 1 0 318.461 3.343 40 0 DGABRO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@H+]3C(C)C)n2)n1 ZINC000072376223 191138915 /nfs/dbraw/zinc/13/89/15/191138915.db2.gz PXPTVGQDISUUTP-HNNXBMFYSA-N 1 0 312.421 3.172 40 0 DGABRO Cc1cccc(Nc2cc(C)nc([C@@H]3CC[N@@H+](C(C)C)C3)n2)n1 ZINC000072382381 191142097 /nfs/dbraw/zinc/14/20/97/191142097.db2.gz SFOQGSXWIXBJIT-OAHLLOKOSA-N 1 0 311.433 3.430 40 0 DGABRO c1ccc(C[NH2+]Cc2cc(-c3ccccc3)cn3nnnc23)cc1 ZINC000072392290 191147376 /nfs/dbraw/zinc/14/73/76/191147376.db2.gz VLJQZICWAAUCAA-UHFFFAOYSA-N 1 0 315.380 3.081 40 0 DGABRO CCOCc1ccc2oc(C(=O)OCC[NH+](CC)CC)cc2c1 ZINC000002478039 180926373 /nfs/dbraw/zinc/92/63/73/180926373.db2.gz WBTKBNQZRCBGPI-UHFFFAOYSA-N 1 0 319.401 3.468 40 0 DGABRO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)c(F)c1 ZINC000004597867 181129058 /nfs/dbraw/zinc/12/90/58/181129058.db2.gz CANUBXZJGLXAEB-XJKSGUPXSA-N 1 0 309.356 3.386 40 0 DGABRO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCCCC1 ZINC000005018035 181191142 /nfs/dbraw/zinc/19/11/42/181191142.db2.gz JQTXDVVWEIKREC-GFCCVEGCSA-N 1 0 304.217 3.219 40 0 DGABRO COc1ccccc1[C@@H](O)c1cnc(C)n1Cc1ccccc1 ZINC000005504230 181250554 /nfs/dbraw/zinc/25/05/54/181250554.db2.gz LEVWMRJTPKKPTI-LJQANCHMSA-N 1 0 308.381 3.330 40 0 DGABRO Cc1nc(-c2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)cs1 ZINC000237805236 202359688 /nfs/dbraw/zinc/35/96/88/202359688.db2.gz JDOIGSJVVCJLKS-UHFFFAOYSA-N 1 0 315.442 3.447 40 0 DGABRO CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006168820 181317286 /nfs/dbraw/zinc/31/72/86/181317286.db2.gz KQHXNKOGBMJFGW-IBGZPJMESA-N 1 0 311.425 3.047 40 0 DGABRO [NH3+]C1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1 ZINC000091675906 193089361 /nfs/dbraw/zinc/08/93/61/193089361.db2.gz NQLPJOORBXSGDV-UHFFFAOYSA-N 1 0 310.397 3.273 40 0 DGABRO CO[C@@H]1CCCOC12CC[NH+](CCCc1ccccc1)CC2 ZINC000257295742 203021953 /nfs/dbraw/zinc/02/19/53/203021953.db2.gz QZQYGIZEFVKNCF-GOSISDBHSA-N 1 0 303.446 3.279 40 0 DGABRO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2)nc1 ZINC000257304973 203030670 /nfs/dbraw/zinc/03/06/70/203030670.db2.gz SNXQTOYHUZYJGL-HXUWFJFHSA-N 1 0 323.440 3.363 40 0 DGABRO CC1(C)C[C@H](O)[C@H]2CC[C@](C[NH3+])(c3ccccc3)CC[C@@H]2O1 ZINC000257307834 203031005 /nfs/dbraw/zinc/03/10/05/203031005.db2.gz TUICQPKKBQBBJS-DFEOGRTESA-N 1 0 303.446 3.002 40 0 DGABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)Cc3cccs3)C2)c1 ZINC000257283350 203009382 /nfs/dbraw/zinc/00/93/82/203009382.db2.gz OXXIUYOYOCBRGR-ZDUSSCGKSA-N 1 0 315.442 3.052 40 0 DGABRO O=C1N(c2cccnc2)CC12CC[NH+](CC1CCCCC1)CC2 ZINC000096202962 193579855 /nfs/dbraw/zinc/57/98/55/193579855.db2.gz RNGIHNZZQJAYKO-UHFFFAOYSA-N 1 0 313.445 3.091 40 0 DGABRO Cc1cccc(C[NH+]2CCC(c3cc4ncc(C)nc4[nH]3)CC2)n1 ZINC000019236178 182111235 /nfs/dbraw/zinc/11/12/35/182111235.db2.gz BUCNTQDTIFFRSD-UHFFFAOYSA-N 1 0 321.428 3.349 40 0 DGABRO CC(C)(C)c1noc([C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000019084631 182104822 /nfs/dbraw/zinc/10/48/22/182104822.db2.gz KMYHPSBKUYDYFJ-CYBMUJFWSA-N 1 0 303.381 3.496 40 0 DGABRO c1csc(-c2noc([C@@H]3CC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000019344688 182117920 /nfs/dbraw/zinc/11/79/20/182117920.db2.gz TUHRXCRCCADABU-CYBMUJFWSA-N 1 0 312.398 3.183 40 0 DGABRO CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019499213 182126218 /nfs/dbraw/zinc/12/62/18/182126218.db2.gz FGRXXZGIBAJEMN-SCTDSRPQSA-N 1 0 300.446 3.265 40 0 DGABRO COc1ccc(C2([NH2+]Cc3c(C)nc4sccn34)CC2)cc1 ZINC000019555100 182130159 /nfs/dbraw/zinc/13/01/59/182130159.db2.gz MQNMZSQWBVVANR-UHFFFAOYSA-N 1 0 313.426 3.492 40 0 DGABRO Fc1cccc(-c2nc3c(s2)C[N@@H+](C2CCOCC2)CC3)c1 ZINC000019719883 182138352 /nfs/dbraw/zinc/13/83/52/182138352.db2.gz JHFMDSNDBRRBOW-UHFFFAOYSA-N 1 0 318.417 3.486 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(C)cc1 ZINC000020493668 182224190 /nfs/dbraw/zinc/22/41/90/182224190.db2.gz FPFVMVDPFIOQQQ-GOSISDBHSA-N 1 0 302.462 3.308 40 0 DGABRO CN(C)CC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000022075566 182307923 /nfs/dbraw/zinc/30/79/23/182307923.db2.gz VECNKZWAFPWBQZ-UHFFFAOYSA-N 1 0 302.393 3.056 40 0 DGABRO CC(C)CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038832390 183011265 /nfs/dbraw/zinc/01/12/65/183011265.db2.gz KTYVTJHAIHZVQH-HNNXBMFYSA-N 1 0 308.853 3.324 40 0 DGABRO C[NH+](C)CCCNC(=S)Nc1ccc(OC2CCCC2)cc1 ZINC000044665526 183430806 /nfs/dbraw/zinc/43/08/06/183430806.db2.gz XPWCIYBAGIDSKI-UHFFFAOYSA-N 1 0 321.490 3.246 40 0 DGABRO C=Cn1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(C)n1 ZINC000057810979 184055639 /nfs/dbraw/zinc/05/56/39/184055639.db2.gz WLFLFSITGIVRNO-IBGZPJMESA-N 1 0 311.429 3.473 40 0 DGABRO O=C(NCCOc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000057984282 184063964 /nfs/dbraw/zinc/06/39/64/184063964.db2.gz ABGOMBNBUFJMRM-UHFFFAOYSA-N 1 0 324.424 3.091 40 0 DGABRO Cc1cc([C@@H]2CCCN2C(=O)OCc2ccccc2)cnc1N ZINC000072218435 257124364 /nfs/dbraw/zinc/12/43/64/257124364.db2.gz VRLKZPJWNKZENU-INIZCTEOSA-N 1 0 311.385 3.446 40 0 DGABRO CCCC[N@@H+]1CCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219345 257124462 /nfs/dbraw/zinc/12/44/62/257124462.db2.gz CAVHLMCWEMFQRB-QGZVFWFLSA-N 1 0 303.450 3.164 40 0 DGABRO CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)C[NH2+]Cc1cccs1 ZINC000005000538 257230587 /nfs/dbraw/zinc/23/05/87/257230587.db2.gz LDSTYEMLHGTVDP-OGHNNQOOSA-N 1 0 306.475 3.169 40 0 DGABRO CC(C)[NH+]1CCC2(CC1)OCC[C@@H]2CCOCc1ccncc1 ZINC000585103642 400125964 /nfs/dbraw/zinc/12/59/64/400125964.db2.gz CCLXBGAFAALLBK-SFHVURJKSA-N 1 0 318.461 3.268 40 0 DGABRO COCC[C@H]1CCOC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000585102608 400126138 /nfs/dbraw/zinc/12/61/38/400126138.db2.gz CAEJJRKMYFHADR-INIZCTEOSA-N 1 0 307.409 3.233 40 0 DGABRO C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)c2ccsc2)ccn1 ZINC000585182246 400130482 /nfs/dbraw/zinc/13/04/82/400130482.db2.gz HVHAPIKTJLQGBK-MRXNPFEDSA-N 1 0 315.442 3.182 40 0 DGABRO Cc1ccc2cc(C[NH2+]C[C@@H](O)c3ccccc3)c(=O)[nH]c2c1 ZINC000585295202 400131843 /nfs/dbraw/zinc/13/18/43/400131843.db2.gz PRCKNMSMXRWIAL-GOSISDBHSA-N 1 0 308.381 3.072 40 0 DGABRO CC(=O)N1CCCCC[C@@H]2[N@H+](Cc3cnc(C)s3)CC[C@@]21C ZINC000019713371 400186153 /nfs/dbraw/zinc/18/61/53/400186153.db2.gz GETXKGOPXNGMRR-IRXDYDNUSA-N 1 0 321.490 3.207 40 0 DGABRO CC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221065 400287459 /nfs/dbraw/zinc/28/74/59/400287459.db2.gz OHEIXLBMIIKYCY-ZFWWWQNUSA-N 1 0 308.853 3.467 40 0 DGABRO c1cncc(C[N@H+]2CC[C@@H](OCC3CC3)[C@H]2Cc2ccncc2)c1 ZINC000247807002 432251088 /nfs/dbraw/zinc/25/10/88/432251088.db2.gz AIKMYJPRYXMOTA-WOJBJXKFSA-N 1 0 323.440 3.089 40 0 DGABRO c1nc2c(n1CC1CCC1)C1(CC[NH2+]CC1)Oc1ccccc1-2 ZINC000306143889 275076052 /nfs/dbraw/zinc/07/60/52/275076052.db2.gz YPSDEFWLCQHRFI-UHFFFAOYSA-N 1 0 309.413 3.321 40 0 DGABRO CCOC[C@H]1COCCC12CC[NH+](Cc1ccccc1)CC2 ZINC000096209264 276334391 /nfs/dbraw/zinc/33/43/91/276334391.db2.gz RSUWJLSLVOVJAW-SFHVURJKSA-N 1 0 303.446 3.342 40 0 DGABRO CCO[C@H]1CC2(CC[NH+]([C@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241675 276358709 /nfs/dbraw/zinc/35/87/09/276358709.db2.gz ZRJQGKGCUGUYHW-YJBOKZPZSA-N 1 0 319.420 3.430 40 0 DGABRO C[C@H]([NH2+]C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000035313698 278261842 /nfs/dbraw/zinc/26/18/42/278261842.db2.gz FGYNLHYPJDPKLK-RDJZCZTQSA-N 1 0 324.424 3.449 40 0 DGABRO CCOC(=O)c1ccc2c(c1)n(CC)c(C)[n+]2-c1ccccc1 ZINC000000243470 431153742 /nfs/dbraw/zinc/15/37/42/431153742.db2.gz HKEMYTWAKHQZKB-UHFFFAOYSA-N 1 0 309.389 3.423 40 0 DGABRO CC[N@H+](C[C@@H](O)COc1ccc(C(C)=O)cc1)C1CCCCC1 ZINC000001475578 431229720 /nfs/dbraw/zinc/22/97/20/431229720.db2.gz JYXKEGINCUOKHZ-GOSISDBHSA-N 1 0 319.445 3.284 40 0 DGABRO CC[NH2+][C@H]([C@H](C)OC(=O)c1ccc(N)cc1)C1CCCCC1 ZINC000001711723 431235615 /nfs/dbraw/zinc/23/56/15/431235615.db2.gz AAHFSQZVCCRFLB-SUMWQHHRSA-N 1 0 304.434 3.373 40 0 DGABRO CC(C)(C)OC(=O)Nc1ccc(C[NH3+])c(OC(F)(F)F)c1 ZINC000071245009 431277021 /nfs/dbraw/zinc/27/70/21/431277021.db2.gz JERMHLUIDIQVJR-UHFFFAOYSA-N 1 0 306.284 3.391 40 0 DGABRO CC(C)[NH2+]C[C@H](O)COc1ccccc1[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000071325806 431280489 /nfs/dbraw/zinc/28/04/89/431280489.db2.gz NACJSVRGPPMZRS-CVYDXHPNSA-N 1 0 303.446 3.328 40 0 in-man DGABRO CC[NH+](CC)CCCNC(=O)c1ccc(Cl)cc1Cl ZINC000003100416 431281226 /nfs/dbraw/zinc/28/12/26/431281226.db2.gz CZFAVVIGNFUPHY-UHFFFAOYSA-N 1 0 303.233 3.455 40 0 DGABRO O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062539 431422463 /nfs/dbraw/zinc/42/24/63/431422463.db2.gz ACHAGXCFPCJKQR-UHOSZYNNSA-N 1 0 312.457 3.203 40 0 DGABRO C[C@H](O)C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000008498065 431400174 /nfs/dbraw/zinc/40/01/74/431400174.db2.gz YFUPVFZRJSUVJV-ZDUSSCGKSA-N 1 0 305.805 3.389 40 0 DGABRO C[C@@H](Sc1ccccc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010540280 431464296 /nfs/dbraw/zinc/46/42/96/431464296.db2.gz UQIYRSJJFJMERZ-MRXNPFEDSA-N 1 0 320.502 3.405 40 0 DGABRO O=C(C[NH+]1CCC(c2ccc(F)cc2)CC1)N1CCCCC1 ZINC000012113947 431492206 /nfs/dbraw/zinc/49/22/06/431492206.db2.gz HCAHVBKPFFEDQJ-UHFFFAOYSA-N 1 0 304.409 3.018 40 0 DGABRO Cc1cc(C)c(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000012169972 431493135 /nfs/dbraw/zinc/49/31/35/431493135.db2.gz KNQHFBWODOQHRM-RLFYNMQTSA-N 1 0 305.462 3.329 40 0 DGABRO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1 ZINC000013362189 431554643 /nfs/dbraw/zinc/55/46/43/431554643.db2.gz CANUBXZJGLXAEB-CJNGLKHVSA-N 1 0 309.356 3.386 40 0 DGABRO COc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000030555707 431742780 /nfs/dbraw/zinc/74/27/80/431742780.db2.gz UGJZDIZCJIIQLX-UHFFFAOYSA-N 1 0 324.424 3.221 40 0 DGABRO COc1cc2c(cc1OC)[C@H]1C[C@@H](O)[C@H](CC(C)C)C[N@@H+]1CC2 ZINC000034325316 431820471 /nfs/dbraw/zinc/82/04/71/431820471.db2.gz WEQLWGNDNRARGE-DJIMGWMZSA-N 1 0 319.445 3.030 40 0 DGABRO C[NH+]1CCC(NC(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000047615542 431913096 /nfs/dbraw/zinc/91/30/96/431913096.db2.gz NVGRHHQLPLXUFD-UHFFFAOYSA-N 1 0 315.244 3.136 40 0 DGABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC[NH+](C)C ZINC000044948517 431879534 /nfs/dbraw/zinc/87/95/34/431879534.db2.gz JXFPPJOQMZZWSR-GOSISDBHSA-N 1 0 314.429 3.065 40 0 DGABRO c1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)cc1 ZINC000096042206 431935396 /nfs/dbraw/zinc/93/53/96/431935396.db2.gz HHBZSQHXEYLFTR-SLFFLAALSA-N 1 0 324.424 3.030 40 0 DGABRO Cn1cc([C@H]2COC3(C2)CC[NH+](Cc2ccsc2)CC3)cn1 ZINC000096047790 431935820 /nfs/dbraw/zinc/93/58/20/431935820.db2.gz NASVUBBNQQPRPN-OAHLLOKOSA-N 1 0 317.458 3.020 40 0 DGABRO CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096056797 431936479 /nfs/dbraw/zinc/93/64/79/431936479.db2.gz DTQQCEULVMFKQV-IRXDYDNUSA-N 1 0 309.475 3.464 40 0 DGABRO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000096061327 431937198 /nfs/dbraw/zinc/93/71/98/431937198.db2.gz XOCHWHAGVJHKSK-GOSISDBHSA-N 1 0 324.424 3.260 40 0 DGABRO O=C(c1cccc(F)c1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096075234 431937751 /nfs/dbraw/zinc/93/77/51/431937751.db2.gz FQRNVBLAAPHXCN-UHFFFAOYSA-N 1 0 316.420 3.306 40 0 DGABRO C[NH+](C)[C@@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 ZINC000096079171 431938337 /nfs/dbraw/zinc/93/83/37/431938337.db2.gz QOUUJTNXOHVZQR-QGZVFWFLSA-N 1 0 308.429 3.021 40 0 DGABRO CCOC[C@H]1COCCC12CC[NH+](Cc1ccccc1F)CC2 ZINC000096106417 431938983 /nfs/dbraw/zinc/93/89/83/431938983.db2.gz JNUSNTMFSDEBCM-KRWDZBQOSA-N 1 0 321.436 3.481 40 0 DGABRO c1cc(C[NH+]2CCC3(CO[C@@H](COCC4CC4)C3)CC2)co1 ZINC000096105962 431938997 /nfs/dbraw/zinc/93/89/97/431938997.db2.gz OBYMXCUXOZEOHK-QGZVFWFLSA-N 1 0 305.418 3.077 40 0 DGABRO c1[nH]c2ccccc2c1C[N@@H+]1CCOC[C@H](Oc2ccccc2)C1 ZINC000096113202 431939000 /nfs/dbraw/zinc/93/90/00/431939000.db2.gz SRNPGELWCDDWAH-GOSISDBHSA-N 1 0 322.408 3.448 40 0 biogenic,in-vitro DGABRO CN1Cc2ccccc2CC2(CC[NH+](Cc3ccoc3)CC2)C1=O ZINC000096161295 431940398 /nfs/dbraw/zinc/94/03/98/431940398.db2.gz DUFXEXSSKJLCNU-UHFFFAOYSA-N 1 0 324.424 3.077 40 0 DGABRO C[N@H+](Cc1cccnc1)C1CC2(C1)CCN(c1ccccn1)CC2 ZINC000096159246 431940723 /nfs/dbraw/zinc/94/07/23/431940723.db2.gz AQVJHKGGDICCHD-UHFFFAOYSA-N 1 0 322.456 3.358 40 0 DGABRO Cn1cc2c(n1)[C@@H](COCC1CC1)CN(Cc1ccsc1)C2 ZINC000096198010 431941584 /nfs/dbraw/zinc/94/15/84/431941584.db2.gz ZKLRFJSACOTKCS-MRXNPFEDSA-N 1 0 317.458 3.008 40 0 DGABRO CCOC[C@H]1CC2(CO1)CC[NH+](CCc1ccccc1)CC2 ZINC000096206254 431942135 /nfs/dbraw/zinc/94/21/35/431942135.db2.gz DSOHXJPEFVLEHR-GOSISDBHSA-N 1 0 303.446 3.137 40 0 DGABRO c1cc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)co1 ZINC000096200544 431942569 /nfs/dbraw/zinc/94/25/69/431942569.db2.gz MPFDUJNMEFCKNM-OALUTQOASA-N 1 0 312.413 3.287 40 0 DGABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1cccs1)[C@@H]2C ZINC000096201196 431942613 /nfs/dbraw/zinc/94/26/13/431942613.db2.gz VGCPGCZZAOOIQF-CQSZACIVSA-N 1 0 318.490 3.362 40 0 DGABRO CO[C@H]1CC[N@H+](Cc2c(C)noc2C)[C@H]1Cc1ccccc1 ZINC000096200379 431942923 /nfs/dbraw/zinc/94/29/23/431942923.db2.gz HHVKDQIUHULYPR-ROUUACIJSA-N 1 0 300.402 3.123 40 0 DGABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(Cc2ccccc2)CC1 ZINC000098213852 431980318 /nfs/dbraw/zinc/98/03/18/431980318.db2.gz LORMILRHMRNVMP-UHFFFAOYSA-N 1 0 304.434 3.205 40 0 DGABRO CC[C@@H]([C@H]([NH3+])c1ccc(Cl)cc1Cl)S(=O)(=O)CC ZINC000096524972 431955401 /nfs/dbraw/zinc/95/54/01/431955401.db2.gz XEEZPNJADUHREE-NWDGAFQWSA-N 1 0 310.246 3.207 40 0 DGABRO CCN1CCC[C@H]1C[N@@H+](Cc1cccs1)C[C@H]1CCOC1 ZINC000249697133 432353778 /nfs/dbraw/zinc/35/37/78/432353778.db2.gz UKUKYVWIMRXJCB-CVEARBPZSA-N 1 0 308.491 3.071 40 0 DGABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000153837316 432448478 /nfs/dbraw/zinc/44/84/78/432448478.db2.gz SPFCJUDIGXHEJN-MRXNPFEDSA-N 1 0 302.462 3.368 40 0 DGABRO CC(C)Oc1ccc([C@@H]2C[NH2+]CCN2Cc2cccnc2)cc1 ZINC000257207691 432417575 /nfs/dbraw/zinc/41/75/75/432417575.db2.gz BIUCJHBDUOOYPC-IBGZPJMESA-N 1 0 311.429 3.015 40 0 DGABRO Cc1cc(-c2nccn2C)nc([C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000257210106 432418442 /nfs/dbraw/zinc/41/84/42/432418442.db2.gz BTERBNZXRUTMQH-HNNXBMFYSA-N 1 0 313.449 3.021 40 0 DGABRO Cc1nc([C@H]2CCC[N@@H+]2Cc2cccs2)cc(N(C)C)n1 ZINC000257232978 432419922 /nfs/dbraw/zinc/41/99/22/432419922.db2.gz GNESSASXWIGDDW-OAHLLOKOSA-N 1 0 302.447 3.250 40 0 DGABRO CO[C@H]1CCCOC12CC[NH+](Cc1cccc(F)c1F)CC2 ZINC000257229973 432420103 /nfs/dbraw/zinc/42/01/03/432420103.db2.gz GAENWVHYRBCMOH-HNNXBMFYSA-N 1 0 311.372 3.125 40 0 DGABRO CC[N@@H+]1CC[C@@H](c2cc(Nc3nc(C)c(C)s3)nc(C)n2)C1 ZINC000257225308 432420135 /nfs/dbraw/zinc/42/01/35/432420135.db2.gz FFRQRMCAKKUGRK-CYBMUJFWSA-N 1 0 317.462 3.411 40 0 DGABRO CC(C)[N@@H+]1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2 ZINC000257238075 432422985 /nfs/dbraw/zinc/42/29/85/432422985.db2.gz HJLYQWMIKQHOQO-FUHWJXTLSA-N 1 0 322.399 3.201 40 0 DGABRO Cc1ccc([C@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)nc1 ZINC000257284020 432423928 /nfs/dbraw/zinc/42/39/28/432423928.db2.gz PAXXSEZSCONSRN-LJQANCHMSA-N 1 0 307.397 3.445 40 0 DGABRO Cc1nc([C@H]2CCC[NH2+]2)nc2c1CCCN2CCc1ccccc1 ZINC000257268264 432424149 /nfs/dbraw/zinc/42/41/49/432424149.db2.gz MKXVKIVCALQTHC-GOSISDBHSA-N 1 0 322.456 3.205 40 0 DGABRO Cc1cc2c[nH+]cn2c([C@H]2CCCCN2C(=O)c2ccccc2)n1 ZINC000257319977 432424660 /nfs/dbraw/zinc/42/46/60/432424660.db2.gz VUVFZNDYXWVHPU-QGZVFWFLSA-N 1 0 320.396 3.405 40 0 DGABRO O=C1CCC[C@]2(C[N@H+](C3CCCC3)C[C@H]2c2ccccc2F)N1 ZINC000257261510 432425193 /nfs/dbraw/zinc/42/51/93/432425193.db2.gz LHRDGAKEBRWKGY-QFBILLFUSA-N 1 0 316.420 3.206 40 0 DGABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257268302 432425560 /nfs/dbraw/zinc/42/55/60/432425560.db2.gz MLBGQCPNPWDLFH-GFCCVEGCSA-N 1 0 313.430 3.159 40 0 DGABRO CNc1cc([C@H]2CCC[N@H+](Cc3scnc3C)C2)ccn1 ZINC000257335036 432425660 /nfs/dbraw/zinc/42/56/60/432425660.db2.gz YIKYHRCMSUDHNF-AWEZNQCLSA-N 1 0 302.447 3.268 40 0 DGABRO CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3C[NH2+]CC[C@@H]3O[C@H]21 ZINC000257269278 432425850 /nfs/dbraw/zinc/42/58/50/432425850.db2.gz MPIADRJTPOIXMN-NZUILWFCSA-N 1 0 317.429 3.312 40 0 DGABRO Cc1cnc2n1C[C@@H](c1ccccc1)N(Cc1cscn1)C2 ZINC000257344950 432426475 /nfs/dbraw/zinc/42/64/75/432426475.db2.gz ZZIPNWUSSUTKSR-INIZCTEOSA-N 1 0 310.426 3.405 40 0 DGABRO Cc1cccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000225731818 432695969 /nfs/dbraw/zinc/69/59/69/432695969.db2.gz UYGHSBNXHZUJRS-KBPBESRZSA-N 1 0 320.506 3.044 40 0 DGABRO CC(C)[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000225229323 432688256 /nfs/dbraw/zinc/68/82/56/432688256.db2.gz NZXPBGFQXNBDBW-GOEBONIOSA-N 1 0 306.425 3.198 40 0 DGABRO O=C(NCCC[NH+]1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000225349651 432690247 /nfs/dbraw/zinc/69/02/47/432690247.db2.gz NFFDMWJQTSJVGH-UHFFFAOYSA-N 1 0 314.473 3.491 40 0 DGABRO CC(C)Nc1cc(-c2ccccc2)nc(NCCC[NH+](C)C)n1 ZINC000242929431 432819116 /nfs/dbraw/zinc/81/91/16/432819116.db2.gz GYNHTNDQTLHXNG-UHFFFAOYSA-N 1 0 313.449 3.328 40 0 DGABRO CNc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C2CC2)[nH+]1 ZINC000328970374 434337407 /nfs/dbraw/zinc/33/74/07/434337407.db2.gz DKICPMNSBWGKSI-LBPRGKRZSA-N 1 0 324.428 3.012 40 0 DGABRO CCc1cc(N2CCc3ccccc3C2)nc(N[C@H](C)CC)[nH+]1 ZINC000328983628 434341418 /nfs/dbraw/zinc/34/14/18/434341418.db2.gz HHOVJXJXSZFGFV-CQSZACIVSA-N 1 0 310.445 3.812 40 0 DGABRO Cc1ccccc1C(=O)N1CC[C@]2(CCC[N@H+]2CC(C)C)C1 ZINC000585099336 547025042 /nfs/dbraw/zinc/02/50/42/547025042.db2.gz GEKFAFOINNZBSE-LJQANCHMSA-N 1 0 300.446 3.332 40 0 DGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000079421076 185170797 /nfs/dbraw/zinc/17/07/97/185170797.db2.gz MCLBUCDXGZKWSA-AWEZNQCLSA-N 1 0 314.351 3.180 40 0 DGABRO CCN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H]([NH3+])C(C)C ZINC000079420373 185170847 /nfs/dbraw/zinc/17/08/47/185170847.db2.gz YKSYJOCYJPLYLC-ZDUSSCGKSA-N 1 0 303.233 3.325 40 0 DGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000079421054 185170970 /nfs/dbraw/zinc/17/09/70/185170970.db2.gz JRVXOENJMBSXGL-AWEZNQCLSA-N 1 0 316.367 3.426 40 0 DGABRO CC[NH+](CC)CCCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000005453058 190621202 /nfs/dbraw/zinc/62/12/02/190621202.db2.gz RGPMSIDNUVIROO-UHFFFAOYSA-N 1 0 303.233 3.455 40 0 DGABRO CCN1c2ccccc2C2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000103462683 432010073 /nfs/dbraw/zinc/01/00/73/432010073.db2.gz RPSOSYAKTLBSGY-UHFFFAOYSA-N 1 0 310.397 3.180 40 0 DGABRO COc1ccc(-c2nc(C3CC[NH2+]CC3)cc3c2ncn3C)cc1 ZINC000107493383 185481922 /nfs/dbraw/zinc/48/19/22/185481922.db2.gz AHOHQLCWXQUOCH-UHFFFAOYSA-N 1 0 322.412 3.111 40 0 DGABRO CC[n+]1cc(Br)cc(-c2nc3ccc(N)cc3o2)c1 ZINC000226777911 201787555 /nfs/dbraw/zinc/78/75/55/201787555.db2.gz ZMTBAQFHAAWKDJ-UHFFFAOYSA-N 1 0 319.182 3.147 40 0 DGABRO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000225633885 186285549 /nfs/dbraw/zinc/28/55/49/186285549.db2.gz GZVDQDMFUHATQR-MRXNPFEDSA-N 1 0 314.473 3.417 40 0 DGABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225650684 186286633 /nfs/dbraw/zinc/28/66/33/186286633.db2.gz HAIOEFQNLZYURO-SFHVURJKSA-N 1 0 322.449 3.161 40 0 DGABRO COCC[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358498 191130796 /nfs/dbraw/zinc/13/07/96/191130796.db2.gz XCHQKRHWJZKLBQ-OAHLLOKOSA-N 1 0 315.392 3.109 40 0 DGABRO Cn1ccnc1C[N@@H+]1CC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000072368079 191137074 /nfs/dbraw/zinc/13/70/74/191137074.db2.gz ZCIJXXCAQOTLRW-MRXNPFEDSA-N 1 0 306.413 3.033 40 0 DGABRO c1ccc(-c2cc(C[NH2+]C3CCCCC3)c3nnnn3c2)cc1 ZINC000072392288 191147341 /nfs/dbraw/zinc/14/73/41/191147341.db2.gz SVZFRGCLUBHMRZ-UHFFFAOYSA-N 1 0 307.401 3.214 40 0 DGABRO c1cc([C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2c2ccccc2)n[nH]1 ZINC000072395180 191149757 /nfs/dbraw/zinc/14/97/57/191149757.db2.gz RPTNNBPPMQGTIM-ZWKOTPCHSA-N 1 0 304.397 3.188 40 0 DGABRO Cc1nc(COC[C@@H]2CC[C@H]3[C@H](CC[N@@H+]3CC3CC3)O2)cs1 ZINC000107205160 432029326 /nfs/dbraw/zinc/02/93/26/432029326.db2.gz YEBQSXMZPZGFKN-ULQDDVLXSA-N 1 0 322.474 3.000 40 0 DGABRO C[NH2+][C@@H](Cc1ccccc1)c1cc(OC)c(OC)c(OC)c1 ZINC000001667045 180885802 /nfs/dbraw/zinc/88/58/02/180885802.db2.gz RUNQPMFFKWULFL-HNNXBMFYSA-N 1 0 301.386 3.216 40 0 DGABRO Cc1cc(C)c(C)c(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000004305125 181094999 /nfs/dbraw/zinc/09/49/99/181094999.db2.gz NIMLFKFFHIODPF-MPGHIAIKSA-N 1 0 305.462 3.329 40 0 DGABRO COc1cc(NCC[C@@H]2CCCC[NH2+]2)c2ncccc2c1OC ZINC000004366576 181102719 /nfs/dbraw/zinc/10/27/19/181102719.db2.gz LZODSECXHSCNMZ-ZDUSSCGKSA-N 1 0 315.417 3.196 40 0 DGABRO O=C(c1cccc(Cl)c1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004723263 181142514 /nfs/dbraw/zinc/14/25/14/181142514.db2.gz CSQIPDRJAUDPME-JJRVBVJISA-N 1 0 318.848 3.286 40 0 DGABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1)c1ccc(F)cc1 ZINC000004886646 181168035 /nfs/dbraw/zinc/16/80/35/181168035.db2.gz KMBPKEFRAXNVLW-ZXFUBFMLSA-N 1 0 302.393 3.103 40 0 DGABRO CCc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000006247141 181322697 /nfs/dbraw/zinc/32/26/97/181322697.db2.gz KADVOOMUTMDLMR-UHFFFAOYSA-N 1 0 323.440 3.253 40 0 DGABRO CCn1cc(-c2nccnc2CC2CC[NH+](C(C)C)CC2)cn1 ZINC000257240001 202974253 /nfs/dbraw/zinc/97/42/53/202974253.db2.gz HRRMFPMOXJGRNU-UHFFFAOYSA-N 1 0 313.449 3.023 40 0 DGABRO COc1ccc(N(C)c2cc(C3CC[NH2+]CC3)nc(C)n2)cc1 ZINC000257214683 202949583 /nfs/dbraw/zinc/94/95/83/202949583.db2.gz CNAPHQMOHBWWFJ-UHFFFAOYSA-N 1 0 312.417 3.029 40 0 DGABRO Cc1cncc([C@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257294741 203019657 /nfs/dbraw/zinc/01/96/57/203019657.db2.gz QVMVJNWTIPBPMZ-GOSISDBHSA-N 1 0 307.397 3.398 40 0 DGABRO Cc1nc(-c2cc(C)nc(CC3CC[NH+](C)CC3)n2)sc1C ZINC000257326615 203051354 /nfs/dbraw/zinc/05/13/54/203051354.db2.gz WXWXITHQPLJKLI-UHFFFAOYSA-N 1 0 316.474 3.410 40 0 DGABRO O[C@H]1C[N@H+](Cc2cc3ccccc3s2)CC[C@@]12CCCO2 ZINC000257330493 203053984 /nfs/dbraw/zinc/05/39/84/203053984.db2.gz XORFOYOJEBSGKE-IRXDYDNUSA-N 1 0 303.427 3.017 40 0 DGABRO FC(F)(F)c1cccc(OCc2cc([C@@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000257317122 203040091 /nfs/dbraw/zinc/04/00/91/203040091.db2.gz VIMKHTSIIXNHTL-SNVBAGLBSA-N 1 0 311.307 3.084 40 0 DGABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)[C@H]3c2ccccc2)o1 ZINC000096100242 193536435 /nfs/dbraw/zinc/53/64/35/193536435.db2.gz QRVOZRGYSFUXSM-SFHVURJKSA-N 1 0 324.424 3.384 40 0 DGABRO CO[C@@H]1CC[N@H+](Cc2c(C)noc2C)[C@H]1Cc1ccccc1 ZINC000096200056 193575865 /nfs/dbraw/zinc/57/58/65/193575865.db2.gz HHVKDQIUHULYPR-ZWKOTPCHSA-N 1 0 300.402 3.123 40 0 DGABRO CCC[NH+]1CCC2(CCC(=O)N2Cc2ccc(OC)cc2)CC1 ZINC000096228281 193592028 /nfs/dbraw/zinc/59/20/28/193592028.db2.gz ZWXUZMOQWODCLX-UHFFFAOYSA-N 1 0 316.445 3.062 40 0 DGABRO CCS(=O)(=O)[C@H](C)[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000096524820 193676182 /nfs/dbraw/zinc/67/61/82/193676182.db2.gz ONHRJNJEAOITIJ-DYVFJYSZSA-N 1 0 303.427 3.177 40 0 DGABRO O=C(c1ccccc1)c1ccc2[nH]c(CC3CC[NH2+]CC3)nc2c1 ZINC000015423958 182001705 /nfs/dbraw/zinc/00/17/05/182001705.db2.gz WGDHNFZUNMAGKX-UHFFFAOYSA-N 1 0 319.408 3.336 40 0 DGABRO CC[NH+](CC)CCNc1nc(-c2ccccn2)cc2ncccc21 ZINC000019526416 182127916 /nfs/dbraw/zinc/12/79/16/182127916.db2.gz VNVUXOZTMZDPDA-UHFFFAOYSA-N 1 0 321.428 3.446 40 0 DGABRO COc1cccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019565326 182130402 /nfs/dbraw/zinc/13/04/02/182130402.db2.gz LSCJARFBTCSRKH-NZSAHSFTSA-N 1 0 312.457 3.025 40 0 DGABRO C[NH+](C)CCN(Cc1ccncc1)Cc1c(F)cccc1Cl ZINC000019582691 182132472 /nfs/dbraw/zinc/13/24/72/182132472.db2.gz BXZPPPWZUAXVMM-UHFFFAOYSA-N 1 0 321.827 3.438 40 0 DGABRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000039156550 183014662 /nfs/dbraw/zinc/01/46/62/183014662.db2.gz GTBQVLOYUBQHEV-IYBDPMFKSA-N 1 0 302.418 3.270 40 0 DGABRO [NH2+]=C(Nc1ccc(Cl)cc1)Nc1nc2ccccc2c(=O)[nH]1 ZINC000040385331 183059226 /nfs/dbraw/zinc/05/92/26/183059226.db2.gz PMEUZWXXEPIKQU-UHFFFAOYSA-N 1 0 313.748 3.035 40 0 DGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccccc2F)C1 ZINC000044140369 183396481 /nfs/dbraw/zinc/39/64/81/183396481.db2.gz CRUYUDPGENQQIF-OKILXGFUSA-N 1 0 323.481 3.480 40 0 DGABRO CCn1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(C)n1 ZINC000057810996 184055472 /nfs/dbraw/zinc/05/54/72/184055472.db2.gz HZARDKOLRPWLDH-IBGZPJMESA-N 1 0 313.445 3.393 40 0 DGABRO CO[C@@H](C[NH2+][C@H](C)CCc1ccc(O)cc1)c1ccc(O)cc1 ZINC000065748583 184378440 /nfs/dbraw/zinc/37/84/40/184378440.db2.gz VPHOYLOAYAAPCO-KUHUBIRLSA-N 1 0 315.413 3.396 40 0 in-vitro DGABRO Cc1cc([C@@H]2CCC[N@H+]2CC(C)C)cnc1N1CCOCC1 ZINC000072219343 257124167 /nfs/dbraw/zinc/12/41/67/257124167.db2.gz IUAHONFVGHPSKC-KRWDZBQOSA-N 1 0 303.450 3.020 40 0 DGABRO Cc1nc(N)ccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072218556 257124612 /nfs/dbraw/zinc/12/46/12/257124612.db2.gz OIZQJWBMLJKTAY-MRXNPFEDSA-N 1 0 311.385 3.446 40 0 DGABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216245 257125145 /nfs/dbraw/zinc/12/51/45/257125145.db2.gz PVTQZNJHLHMHTN-KRWDZBQOSA-N 1 0 303.450 3.101 40 0 DGABRO COc1ccccc1C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013424991 257133015 /nfs/dbraw/zinc/13/30/15/257133015.db2.gz AXUGOKFRYJOWGL-HOCLYGCPSA-N 1 0 303.402 3.117 40 0 DGABRO O=C(c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238960349 257213455 /nfs/dbraw/zinc/21/34/55/257213455.db2.gz YKBNWJRSPMWVCU-IBGZPJMESA-N 1 0 324.399 3.099 40 0 DGABRO Cc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1C ZINC000006256175 400091053 /nfs/dbraw/zinc/09/10/53/400091053.db2.gz QVVLGBBDMFUQLV-UHFFFAOYSA-N 1 0 323.440 3.308 40 0 DGABRO OC1(COc2ccc(F)cc2)CC[NH+](C2CCCCC2)CC1 ZINC000585281944 400130159 /nfs/dbraw/zinc/13/01/59/400130159.db2.gz UYDZZXIVCLVGAU-UHFFFAOYSA-N 1 0 307.409 3.364 40 0 DGABRO COc1ccc(C[N@@H+]2CCCCC[C@@H]3[C@@H]2CCN3C(C)=O)cc1 ZINC000019712375 400186132 /nfs/dbraw/zinc/18/61/32/400186132.db2.gz RJTDKJFVVUDSLP-RBUKOAKNSA-N 1 0 316.445 3.061 40 0 DGABRO [NH3+]CCc1c[nH]c2c1cc(Br)cc2Br ZINC000034515263 400385260 /nfs/dbraw/zinc/38/52/60/400385260.db2.gz SCUJTZSMSJCIQA-UHFFFAOYSA-N 1 0 318.012 3.194 40 0 DGABRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000134208100 196370830 /nfs/dbraw/zinc/37/08/30/196370830.db2.gz LAHCLOUUUWQOSI-CQSZACIVSA-N 1 0 306.425 3.198 40 0 DGABRO C[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000035313701 274250297 /nfs/dbraw/zinc/25/02/97/274250297.db2.gz FGYNLHYPJDPKLK-NVXWUHKLSA-N 1 0 324.424 3.449 40 0 DGABRO c1cc(C[N@@H+]2C[C@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)cs1 ZINC000306127467 275064558 /nfs/dbraw/zinc/06/45/58/275064558.db2.gz FZCZJOXRMGOYII-JKSUJKDBSA-N 1 0 322.437 3.236 40 0 DGABRO CCCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000001475406 276295639 /nfs/dbraw/zinc/29/56/39/276295639.db2.gz WZKBTNVVFFZMCN-SOLBZPMBSA-N 1 0 305.462 3.357 40 0 DGABRO CC(C)c1cc(C(F)(F)F)n2nc(C3CC[NH2+]CC3)cc2n1 ZINC000257278462 278018498 /nfs/dbraw/zinc/01/84/98/278018498.db2.gz OCJSCIXSYLAFND-UHFFFAOYSA-N 1 0 312.339 3.339 40 0 DGABRO CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3)[NH2+]CCC[C@@H]12 ZINC000228975099 278409776 /nfs/dbraw/zinc/40/97/76/278409776.db2.gz XRRQIGUDVJTTIW-QAPCUYQASA-N 1 0 302.418 3.275 40 0 DGABRO CCN1CCC[C@H]1C[N@@H+](Cc1cccs1)C[C@@H]1CCOC1 ZINC000019527202 279330044 /nfs/dbraw/zinc/33/00/44/279330044.db2.gz UKUKYVWIMRXJCB-HOTGVXAUSA-N 1 0 308.491 3.071 40 0 DGABRO C/C(=C/c1ccccc1)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000000234604 431150724 /nfs/dbraw/zinc/15/07/24/431150724.db2.gz FTNSPZRWTDMPET-VWXXHXAUSA-N 1 0 320.436 3.371 40 0 DGABRO O=C(C[C@H](c1ccccc1)[NH+]1CCCCC1)OC[C@@H]1CCCO1 ZINC000001569394 431230519 /nfs/dbraw/zinc/23/05/19/431230519.db2.gz JPWQZUQDQORRCQ-ZWKOTPCHSA-N 1 0 317.429 3.326 40 0 DGABRO CCOC(=O)c1ccnc2ccc(OCC[NH+](CC)CC)cc21 ZINC000001688977 431235465 /nfs/dbraw/zinc/23/54/65/431235465.db2.gz NEOWUHQJEXZKSM-UHFFFAOYSA-N 1 0 316.401 3.132 40 0 DGABRO Cc1ccc2nc(C(F)(F)F)cc(N3CCC[NH2+]CC3)c2c1 ZINC000002243373 431249626 /nfs/dbraw/zinc/24/96/26/431249626.db2.gz NWEBRDKVSKEUNH-UHFFFAOYSA-N 1 0 309.335 3.362 40 0 DGABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000002388711 431252560 /nfs/dbraw/zinc/25/25/60/431252560.db2.gz XXUGCJCPVHCUOK-ZQIUZPCESA-N 1 0 311.853 3.480 40 0 DGABRO CC(C)C(=O)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000005817235 431311507 /nfs/dbraw/zinc/31/15/07/431311507.db2.gz JOOOBUMUGICGNR-UHFFFAOYSA-N 1 0 319.474 3.142 40 0 DGABRO O=C(CN1CCC(c2ccccc2F)CC1)N1CCCCC1 ZINC000072342075 431337068 /nfs/dbraw/zinc/33/70/68/431337068.db2.gz QSJKVMFNMYUOLZ-UHFFFAOYSA-N 1 0 304.409 3.018 40 0 DGABRO COCC[N@@H+]1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358494 431337389 /nfs/dbraw/zinc/33/73/89/431337389.db2.gz XMQIUSLGMAQLHN-OAHLLOKOSA-N 1 0 315.392 3.109 40 0 DGABRO CCOc1c(C[NH2+]Cc2ccc(OC)cc2)cccc1OC ZINC000007538500 431353516 /nfs/dbraw/zinc/35/35/16/431353516.db2.gz VXGQQTDEPIZIBY-UHFFFAOYSA-N 1 0 301.386 3.392 40 0 DGABRO C[NH2+]CCCNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000008377141 431396412 /nfs/dbraw/zinc/39/64/12/431396412.db2.gz QWSKDHPGQOIOLD-UHFFFAOYSA-N 1 0 323.234 3.408 40 0 DGABRO C[C@@H](O)C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000008535097 431403403 /nfs/dbraw/zinc/40/34/03/431403403.db2.gz RTZBRVKLHWKFSR-CYBMUJFWSA-N 1 0 305.805 3.389 40 0 DGABRO CCOc1ncccc1-c1noc(C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000012234048 431496212 /nfs/dbraw/zinc/49/62/12/431496212.db2.gz OPQUXTUODYMZFD-STQMWFEESA-N 1 0 316.405 3.008 40 0 DGABRO CC(C)[NH+]1CCC(CNC(=O)C2(c3ccccc3F)CC2)CC1 ZINC000012196073 431496354 /nfs/dbraw/zinc/49/63/54/431496354.db2.gz QEFSSFWOXJDCOD-UHFFFAOYSA-N 1 0 318.436 3.094 40 0 DGABRO CCc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccc(OC)cc3)cc2c1 ZINC000012468831 431511459 /nfs/dbraw/zinc/51/14/59/431511459.db2.gz QPUYRTBCMAEXRI-UHFFFAOYSA-N 1 0 322.408 3.389 40 0 DGABRO Cc1cc(C)cc(CSCC(=O)NCCC[NH+]2CCCC2)c1 ZINC000013646183 431562433 /nfs/dbraw/zinc/56/24/33/431562433.db2.gz QRFYLVIJGRJOEN-UHFFFAOYSA-N 1 0 320.502 3.139 40 0 DGABRO C[C@H](Sc1ccccc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000013669846 431564961 /nfs/dbraw/zinc/56/49/61/431564961.db2.gz HDQPQUMYUFRJMQ-HNNXBMFYSA-N 1 0 306.475 3.159 40 0 DGABRO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2[NH2+]Cc1ccccc1 ZINC000077031813 431567720 /nfs/dbraw/zinc/56/77/20/431567720.db2.gz HFIAICRLCXYAAE-OAGGEKHMSA-N 1 0 302.418 3.174 40 0 DGABRO Cc1ccc(CN2Cc3ccccc3O[C@@H](C[NH+](C)C)C2)s1 ZINC000019217269 431617473 /nfs/dbraw/zinc/61/74/73/431617473.db2.gz UKDQIXUBWZPZHY-INIZCTEOSA-N 1 0 316.470 3.381 40 0 DGABRO C[C@H](SCc1ccccc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000078578738 431685380 /nfs/dbraw/zinc/68/53/80/431685380.db2.gz LNNJYKWWVCPCDA-HNNXBMFYSA-N 1 0 320.502 3.156 40 0 DGABRO O=C(Nc1cccc(Cl)c1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932266 431697409 /nfs/dbraw/zinc/69/74/09/431697409.db2.gz VAUQIZLZRUGCKA-JTQLQIEISA-N 1 0 314.216 3.305 40 0 DGABRO CC1(C)CC(NC(=O)c2ccn(C3CCCC3)n2)CC(C)(C)[NH2+]1 ZINC000028223023 431703690 /nfs/dbraw/zinc/70/36/90/431703690.db2.gz WCRGODLHAHFATD-UHFFFAOYSA-N 1 0 318.465 3.037 40 0 DGABRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccoc4)C3)C2=O)c1 ZINC000096050563 431934827 /nfs/dbraw/zinc/93/48/27/431934827.db2.gz NSNMBOIHBLXAOF-FQEVSTJZSA-N 1 0 324.424 3.213 40 0 DGABRO c1ccc(COC[C@@]23CCCO[C@@H]2CC[N@@H+](C2CCC2)C3)nc1 ZINC000096040274 431935200 /nfs/dbraw/zinc/93/52/00/431935200.db2.gz NGZZMZXGBBFMBF-MOPGFXCFSA-N 1 0 316.445 3.022 40 0 DGABRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(F)cc3)O2)n1 ZINC000096057518 431936201 /nfs/dbraw/zinc/93/62/01/431936201.db2.gz HFTOFNUXXXQSAF-BZUAXINKSA-N 1 0 317.364 3.012 40 0 DGABRO CCn1cc2c(n1)[C@H](COC)C[N@@H+](Cc1ccc(C)s1)C2 ZINC000096059882 431936416 /nfs/dbraw/zinc/93/64/16/431936416.db2.gz PKUHKPWGBVMCTE-AWEZNQCLSA-N 1 0 305.447 3.019 40 0 DGABRO c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4cccnc4)C3)o2)cc1 ZINC000049169353 431937263 /nfs/dbraw/zinc/93/72/63/431937263.db2.gz XMFMXGCJEXGYQN-INIZCTEOSA-N 1 0 306.369 3.121 40 0 biogenic,in-vitro DGABRO CC(C)N1CC2(CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000096078777 431937914 /nfs/dbraw/zinc/93/79/14/431937914.db2.gz DWCGIENRGUGAFG-MRXNPFEDSA-N 1 0 300.446 3.038 40 0 DGABRO c1ccc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccn2)C3)nc1 ZINC000096111045 431938435 /nfs/dbraw/zinc/93/84/35/431938435.db2.gz DKNDBWPPXXVSHY-XLIONFOSSA-N 1 0 323.440 3.296 40 0 DGABRO c1coc(C[NH+]2CCC3(CO[C@H](COCC4CC4)C3)CC2)c1 ZINC000096105961 431939159 /nfs/dbraw/zinc/93/91/59/431939159.db2.gz ZTUFAJAXGJYCTM-KRWDZBQOSA-N 1 0 305.418 3.077 40 0 DGABRO c1cn2c(n1)CN(Cc1ccsc1)C[C@@H](COCC1CC1)C2 ZINC000096187880 431941703 /nfs/dbraw/zinc/94/17/03/431941703.db2.gz OWYHGNNXTNZTAG-MRXNPFEDSA-N 1 0 317.458 3.003 40 0 DGABRO COC[C@@H]1COCCC12CC[NH+](Cc1ccccc1C)CC2 ZINC000096207307 431942546 /nfs/dbraw/zinc/94/25/46/431942546.db2.gz PBQFWBWBBVIBKE-GOSISDBHSA-N 1 0 303.446 3.260 40 0 DGABRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)o1 ZINC000096199588 431942760 /nfs/dbraw/zinc/94/27/60/431942760.db2.gz CGXVLZVCDZOZJQ-GOSISDBHSA-N 1 0 324.424 3.226 40 0 DGABRO CCO[C@@H]1CC2(CC[NH+]([C@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241674 431943210 /nfs/dbraw/zinc/94/32/10/431943210.db2.gz ZRJQGKGCUGUYHW-MAUKXSAKSA-N 1 0 319.420 3.430 40 0 DGABRO [NH2+]=C(NCc1ccc(Cl)cc1)SCCCC1=NC=NC1 ZINC000100017039 431980445 /nfs/dbraw/zinc/98/04/45/431980445.db2.gz UFOIUTTTYXTRKS-UHFFFAOYSA-N 1 0 308.838 3.361 40 0 in-vitro DGABRO CC(C)(C)OC(=O)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC000098213814 431980665 /nfs/dbraw/zinc/98/06/65/431980665.db2.gz OFFWUWAMPKWPLK-UHFFFAOYSA-N 1 0 308.397 3.097 40 0 DGABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257206641 432417524 /nfs/dbraw/zinc/41/75/24/432417524.db2.gz BEIVUIUTKDVQRA-QGZVFWFLSA-N 1 0 319.412 3.165 40 0 DGABRO Cc1cccc(C[N@H+]2C[C@@H]3[C@H](Oc4cccnc4C)CC[C@@H]3C2)n1 ZINC000257215119 432418726 /nfs/dbraw/zinc/41/87/26/432418726.db2.gz COTWYDXBXFCWIU-IMFGXOCKSA-N 1 0 323.440 3.383 40 0 DGABRO Cc1n[nH]c(C)c1-c1cncc(C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257210597 432418779 /nfs/dbraw/zinc/41/87/79/432418779.db2.gz BVIBDZHSYPSVPY-OAHLLOKOSA-N 1 0 313.449 3.146 40 0 DGABRO c1cc(C[C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)n[nH]1 ZINC000257243613 432422438 /nfs/dbraw/zinc/42/24/38/432422438.db2.gz IHUIGLHXQMDUSZ-HNNXBMFYSA-N 1 0 306.413 3.413 40 0 DGABRO O=C(C1CCC1)N1CCC[C@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257256463 432422885 /nfs/dbraw/zinc/42/28/85/432422885.db2.gz KLPMGTCJPVYEQU-SFHVURJKSA-N 1 0 313.445 3.141 40 0 DGABRO c1cc(C[C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000257246448 432423381 /nfs/dbraw/zinc/42/33/81/432423381.db2.gz IUEUALPPSSKHED-HNNXBMFYSA-N 1 0 306.413 3.413 40 0 DGABRO CC(C)CC[N@@H+]1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225486630 432692652 /nfs/dbraw/zinc/69/26/52/432692652.db2.gz GUABBTMYVFCCAY-HNNXBMFYSA-N 1 0 306.381 3.403 40 0 biogenic,in-vitro DGABRO CNC(=O)c1cc(N)ccc1N1CCC(Cc2ccccc2)CC1 ZINC000225485852 432693390 /nfs/dbraw/zinc/69/33/90/432693390.db2.gz SNORHXBHNFOAKE-UHFFFAOYSA-N 1 0 323.440 3.088 40 0 DGABRO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2cc(O)ccc21 ZINC000225819164 432699745 /nfs/dbraw/zinc/69/97/45/432699745.db2.gz XRHQJDBNIGOJBG-UHFFFAOYSA-N 1 0 323.392 3.392 40 0 DGABRO Cc1ccc(C)c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000225052646 432686367 /nfs/dbraw/zinc/68/63/67/432686367.db2.gz IVWZMULUGWZZCN-HZPDHXFCSA-N 1 0 302.462 3.401 40 0 DGABRO CC1(C)CN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c2cccc(Cl)c21 ZINC000331734975 432960691 /nfs/dbraw/zinc/96/06/91/432960691.db2.gz ULKLQCJSUKXLEP-VXGBXAGGSA-N 1 0 321.852 3.275 40 0 DGABRO CCc1cc(N2CCc3cc(OC)ccc3C2)nc(NC2CC2)[nH+]1 ZINC000329026909 434345733 /nfs/dbraw/zinc/34/57/33/434345733.db2.gz PPGIBPFZBYUOMK-UHFFFAOYSA-N 1 0 324.428 3.185 40 0 DGABRO [NH3+]C[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3ccccc3)C2)CC1 ZINC000257226892 331951043 /nfs/dbraw/zinc/95/10/43/331951043.db2.gz FMQDMQUOYGUJQW-SZMVWBNQSA-N 1 0 300.446 3.158 40 0 DGABRO CC[C@@H](C)Nc1nc(NCCc2ccccc2)cc(C2CC2)[nH+]1 ZINC000328957932 529357465 /nfs/dbraw/zinc/35/74/65/529357465.db2.gz AMFDGYDVGLFZRM-CQSZACIVSA-N 1 0 310.445 3.063 40 0 DGABRO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261853164 657139140 /nfs/dbraw/zinc/13/91/40/657139140.db2.gz JRVAJMLWXOTGEG-PBHICJAKSA-N 1 0 318.461 3.479 40 0 DGABRO CCC[N@@H+]1CC[C@H]2CC(=O)Nc3cc(C)ccc3OCC[C@H]2C1 ZINC001534646727 1187912549 /nfs/dbraw/zinc/91/25/49/1187912549.db2.gz RGKNYNKGDHFEIR-HOTGVXAUSA-N 1 0 316.445 3.454 40 0 DGABRO OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OCc1ccccc1 ZINC001772491077 1197698572 /nfs/dbraw/zinc/69/85/72/1197698572.db2.gz DAEQJRXBQKIVSA-UXHICEINSA-N 1 0 311.425 3.086 40 0 DGABRO COCCc1noc([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCCC2)n1 ZINC001772494428 1197720357 /nfs/dbraw/zinc/72/03/57/1197720357.db2.gz GSNKYLHILCTRCC-MKZZRHPPSA-N 1 0 319.449 3.302 40 0 DGABRO CC(C)[N@@H+]1CCC[C@H](OCCc2noc(-c3ccccc3)n2)C1 ZINC001772502127 1197722173 /nfs/dbraw/zinc/72/21/73/1197722173.db2.gz ZBWARECIZMBWDN-INIZCTEOSA-N 1 0 315.417 3.169 40 0 DGABRO c1cc(C[N@@H+]2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)cs1 ZINC000306127466 231085312 /nfs/dbraw/zinc/08/53/12/231085312.db2.gz FZCZJOXRMGOYII-HZPDHXFCSA-N 1 0 322.437 3.236 40 0 DGABRO c1ccc(CCNc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000328969430 231401530 /nfs/dbraw/zinc/40/15/30/231401530.db2.gz DDXYKEOGHLGAKA-UHFFFAOYSA-N 1 0 322.456 3.207 40 0 DGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000067801326 190723577 /nfs/dbraw/zinc/72/35/77/190723577.db2.gz PKADNTNWLFEQPF-HNNXBMFYSA-N 1 0 308.397 3.315 40 0 DGABRO CC(C)(C)OC(=O)N1CCC([C@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000071664296 191000327 /nfs/dbraw/zinc/00/03/27/191000327.db2.gz JBCLRJCZCCDPHU-OAHLLOKOSA-N 1 0 308.397 3.473 40 0 DGABRO C[C@@H](c1ccccn1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000072203779 191075400 /nfs/dbraw/zinc/07/54/00/191075400.db2.gz LBYCCMUITUMZQP-AWEZNQCLSA-N 1 0 319.449 3.379 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cc(C)ccn1 ZINC000225585007 186280228 /nfs/dbraw/zinc/28/02/28/186280228.db2.gz NOHXJDABUZOZMM-HNNXBMFYSA-N 1 0 320.506 3.331 40 0 DGABRO O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)CCCC2 ZINC000225628922 186284957 /nfs/dbraw/zinc/28/49/57/186284957.db2.gz BHGHSVOJGAXILI-UHFFFAOYSA-N 1 0 300.446 3.171 40 0 DGABRO CNc1cc(CN(C)C)nc([C@@H]2CCCC[N@@H+]2C2CCCC2)n1 ZINC000072352018 191129527 /nfs/dbraw/zinc/12/95/27/191129527.db2.gz LPPGYHNLMWGHTQ-INIZCTEOSA-N 1 0 317.481 3.050 40 0 DGABRO Cn1ccnc1C[N@@H+]1CC[C@H](Cc2cccc3cccnc32)C1 ZINC000072368081 191136585 /nfs/dbraw/zinc/13/65/85/191136585.db2.gz OWTKMAPTMSVROF-OAHLLOKOSA-N 1 0 306.413 3.033 40 0 DGABRO Cc1cncc([C@@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000072369412 191139569 /nfs/dbraw/zinc/13/95/69/191139569.db2.gz UOEHXLGGNAVKGG-GOSISDBHSA-N 1 0 321.424 3.440 40 0 DGABRO c1cn(-c2cccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cn1 ZINC000072378632 191140732 /nfs/dbraw/zinc/14/07/32/191140732.db2.gz DSYPPXSQVCIRTA-QGZVFWFLSA-N 1 0 319.412 3.042 40 0 DGABRO CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CC[NH2+]C1 ZINC000072391934 191148260 /nfs/dbraw/zinc/14/82/60/191148260.db2.gz KJKDXFWYJNLYSN-NRFANRHFSA-N 1 0 322.452 3.400 40 0 DGABRO c1ccc(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389897 191148367 /nfs/dbraw/zinc/14/83/67/191148367.db2.gz PUYIGATWCVSXBF-INIZCTEOSA-N 1 0 306.369 3.121 40 0 DGABRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1O ZINC000072395096 191149210 /nfs/dbraw/zinc/14/92/10/191149210.db2.gz XKZOQUQMZJLWRU-GOEBONIOSA-N 1 0 316.401 3.198 40 0 DGABRO COc1cc2c(cc1O)[C@H](CCc1ccc(O)cc1)[N@H+](C)CC2 ZINC000003847469 181048882 /nfs/dbraw/zinc/04/88/82/181048882.db2.gz DTOIFYMRBLCQCF-KRWDZBQOSA-N 1 0 313.397 3.268 40 0 DGABRO CC(=O)Oc1cccc2ccc(/C=C\c3ccc[n+](C)c3)nc21 ZINC000004896368 181169475 /nfs/dbraw/zinc/16/94/75/181169475.db2.gz XVIULEJVUAILNT-NTMALXAHSA-N 1 0 305.357 3.155 40 0 DGABRO CN(C)c1ccc(CC[C@@H]([NH3+])c2ccc3c(c2)OCCO3)cc1 ZINC000005797805 181284971 /nfs/dbraw/zinc/28/49/71/181284971.db2.gz JGZGRFYTFFHQKF-QGZVFWFLSA-N 1 0 312.413 3.156 40 0 DGABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1Cl ZINC000005771682 181282152 /nfs/dbraw/zinc/28/21/52/181282152.db2.gz ZZHFJTWJGFOXMO-XJKSGUPXSA-N 1 0 306.837 3.334 40 0 DGABRO C[C@@H]([NH+]1CCN(C)CC1)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000019365815 296031197 /nfs/dbraw/zinc/03/11/97/296031197.db2.gz WEMKXTZKYQLYKL-YLJYHZDGSA-N 1 0 316.489 3.090 40 0 DGABRO COc1ccc([C@@H](Cc2ccc(Cl)cc2)[NH2+]CCO)cc1 ZINC000006484426 181344455 /nfs/dbraw/zinc/34/44/55/181344455.db2.gz ZRBBTNAWVCKGTC-QGZVFWFLSA-N 1 0 305.805 3.214 40 0 DGABRO Cc1ccc(C)c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000225052684 201685027 /nfs/dbraw/zinc/68/50/27/201685027.db2.gz IVWZMULUGWZZCN-HOTGVXAUSA-N 1 0 302.462 3.401 40 0 DGABRO CC(C)n1cc(-c2cnc(C[C@H]3CC[N@@H+](C(C)C)C3)cn2)cn1 ZINC000257304653 203029068 /nfs/dbraw/zinc/02/90/68/203029068.db2.gz SMOHNWAYMZKVAB-OAHLLOKOSA-N 1 0 313.449 3.194 40 0 DGABRO CCN(C(=O)c1scnc1C)[C@@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000257306081 203030725 /nfs/dbraw/zinc/03/07/25/203030725.db2.gz SSUYHKIHLDSTQA-AWEZNQCLSA-N 1 0 321.490 3.321 40 0 DGABRO Cc1ccccc1C[NH+]1CC2(C1)CO[C@H](Cc1cccnc1)C2 ZINC000257307018 203032770 /nfs/dbraw/zinc/03/27/70/203032770.db2.gz SWXCQBBGZIGRLD-LJQANCHMSA-N 1 0 308.425 3.224 40 0 DGABRO C[N@@H+]1CC[C@@]2(C)[C@@H]1CCCCCN2C(=O)Cc1ccc(F)cc1 ZINC000257282210 203011277 /nfs/dbraw/zinc/01/12/77/203011277.db2.gz OSWMLGBUGUGZOB-HKUYNNGSSA-N 1 0 318.436 3.234 40 0 DGABRO O=C(c1cscn1)N1CC[C@@]2(CCC[N@@H+]2CC2CCCC2)C1 ZINC000096071063 193520651 /nfs/dbraw/zinc/52/06/51/193520651.db2.gz MSLDMNNPFVFOJF-KRWDZBQOSA-N 1 0 319.474 3.014 40 0 DGABRO Cc1ccc2[nH]c(=O)c(C[NH2+]CCc3ccccc3C)cc2c1 ZINC000012468805 181765358 /nfs/dbraw/zinc/76/53/58/181765358.db2.gz VTRLXJJDMLXYBY-UHFFFAOYSA-N 1 0 306.409 3.477 40 0 DGABRO Fc1cccc(Nc2nc(-c3ccncc3)nc3c2C[NH2+]CC3)c1 ZINC000019294024 182113472 /nfs/dbraw/zinc/11/34/72/182113472.db2.gz YJGJKUDHHVYWHJ-UHFFFAOYSA-N 1 0 321.359 3.067 40 0 DGABRO Cc1ccccc1-c1ncc(CN(C)CC[NH+]2CCCCC2)cn1 ZINC000019237534 182110648 /nfs/dbraw/zinc/11/06/48/182110648.db2.gz YVFTUWOWJCOWRD-UHFFFAOYSA-N 1 0 324.472 3.370 40 0 DGABRO c1csc(-c2noc([C@H]3CC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000019338873 182117076 /nfs/dbraw/zinc/11/70/76/182117076.db2.gz ZIMWQOHYIUIIGX-ZDUSSCGKSA-N 1 0 312.398 3.183 40 0 DGABRO CCn1cc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(C)n1 ZINC000019524541 182128489 /nfs/dbraw/zinc/12/84/89/182128489.db2.gz IXTHEGPMHCWFGN-INIZCTEOSA-N 1 0 323.444 3.467 40 0 DGABRO COc1ccccc1CN1CCC[C@@H]([NH3+])[C@@H]1c1ccccc1F ZINC000019570431 182131100 /nfs/dbraw/zinc/13/11/00/182131100.db2.gz RVCJIGCGSDDVRX-MJGOQNOKSA-N 1 0 314.404 3.499 40 0 DGABRO CC(C)c1ncc(CN2CCC([N@@H+]3CCC[C@@H](C)C3)CC2)cn1 ZINC000019496486 182124847 /nfs/dbraw/zinc/12/48/47/182124847.db2.gz BPXZSVZNFRFKPW-MRXNPFEDSA-N 1 0 316.493 3.296 40 0 DGABRO COCCC[N@H+](Cc1ccc2c(c1)CCO2)Cc1ccccn1 ZINC000019593263 182133127 /nfs/dbraw/zinc/13/31/27/182133127.db2.gz ATOWGSVLRMHRGR-UHFFFAOYSA-N 1 0 312.413 3.055 40 0 DGABRO CCOc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1OCC ZINC000022076040 182308295 /nfs/dbraw/zinc/30/82/95/182308295.db2.gz IZIXNQWHRBJTAF-QGZVFWFLSA-N 1 0 315.413 3.307 40 0 DGABRO Cc1ccccc1O[C@@H](C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000022525152 182324796 /nfs/dbraw/zinc/32/47/96/182324796.db2.gz WKASXZUMOVICKH-KRWDZBQOSA-N 1 0 318.461 3.145 40 0 DGABRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1C(F)(F)F ZINC000024269354 182378068 /nfs/dbraw/zinc/37/80/68/182378068.db2.gz VOXDILDMGONGDK-OAHLLOKOSA-N 1 0 309.331 3.399 40 0 DGABRO Cc1cc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1Cl ZINC000037530402 182904310 /nfs/dbraw/zinc/90/43/10/182904310.db2.gz ASCOOIJCINVEAP-YDHLFZDLSA-N 1 0 311.853 3.366 40 0 DGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC1CCCCC1 ZINC000047579214 183596158 /nfs/dbraw/zinc/59/61/58/183596158.db2.gz WVYLBAIKQIXBFQ-UHFFFAOYSA-N 1 0 315.461 3.414 40 0 DGABRO c1csc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000157020318 197156189 /nfs/dbraw/zinc/15/61/89/197156189.db2.gz DZFBSCAOOHMWGA-AWEZNQCLSA-N 1 0 316.426 3.294 40 0 DGABRO CC(C)c1ccc(OCC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000156339473 197105423 /nfs/dbraw/zinc/10/54/23/197105423.db2.gz DJFCRUSLXONZCQ-UHFFFAOYSA-N 1 0 318.461 3.037 40 0 DGABRO CCOc1ccc(Cl)cc1-c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000072209121 257128116 /nfs/dbraw/zinc/12/81/16/257128116.db2.gz IUZJIWHAFBOOAY-SNVBAGLBSA-N 1 0 307.781 3.256 40 0 DGABRO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000020549076 257130242 /nfs/dbraw/zinc/13/02/42/257130242.db2.gz XFLUILIYAOXTNV-RBZYPMLTSA-N 1 0 303.233 3.102 40 0 DGABRO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(CC[N@H+]2C)C1 ZINC000585101844 400125175 /nfs/dbraw/zinc/12/51/75/400125175.db2.gz IWUXNTVJSSXQOU-GOSISDBHSA-N 1 0 304.434 3.196 40 0 DGABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)co1 ZINC000585103394 400125228 /nfs/dbraw/zinc/12/52/28/400125228.db2.gz AWFVMAQBXQPAQJ-SFHVURJKSA-N 1 0 319.445 3.467 40 0 DGABRO COCC[C@@H]1CCOC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000585104284 400125398 /nfs/dbraw/zinc/12/53/98/400125398.db2.gz GREBRLIPQFWZSQ-MRXNPFEDSA-N 1 0 307.409 3.233 40 0 DGABRO COCC[C@@H]1CCOC12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000585104484 400125878 /nfs/dbraw/zinc/12/58/78/400125878.db2.gz JAYKSCOXUWJHAB-QGZVFWFLSA-N 1 0 319.445 3.103 40 0 DGABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(F)c1 ZINC000019712155 400186023 /nfs/dbraw/zinc/18/60/23/400186023.db2.gz DRYVMYWIBMTYQH-MSOLQXFVSA-N 1 0 304.409 3.191 40 0 DGABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2)[C@H]1O ZINC000585289682 400131513 /nfs/dbraw/zinc/13/15/13/400131513.db2.gz UXRKUOUCFHYEFA-DFQSSKMNSA-N 1 0 311.425 3.446 40 0 DGABRO c1ccc(CO[C@H]2CCCC[C@H]2[N@@H+]2CCN[C@@H]3CCC[C@@H]32)cc1 ZINC000225718079 400960796 /nfs/dbraw/zinc/96/07/96/400960796.db2.gz AOIYHYXUOPSXOB-WCIQWLHISA-N 1 0 314.473 3.341 40 0 DGABRO CC(C)C[NH+]1CCC2(C=C(C(=O)NC3CC3)c3ccccc32)CC1 ZINC000096241623 273511164 /nfs/dbraw/zinc/51/11/64/273511164.db2.gz RLGQMCXIAQXXNW-UHFFFAOYSA-N 1 0 324.468 3.352 40 0 DGABRO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(c1cccc(C)n1)CC2 ZINC000096240303 274052003 /nfs/dbraw/zinc/05/20/03/274052003.db2.gz LQXNGSUKNNYXLJ-QGZVFWFLSA-N 1 0 317.477 3.106 40 0 DGABRO c1cc2cc(C[C@@H]3COCC[N@H+](Cc4ccncc4)C3)ccc2[nH]1 ZINC000257282989 275065831 /nfs/dbraw/zinc/06/58/31/275065831.db2.gz OWEARGWSRVZRAZ-SFHVURJKSA-N 1 0 321.424 3.254 40 0 DGABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccncc2)CC1 ZINC000100809735 275830075 /nfs/dbraw/zinc/83/00/75/275830075.db2.gz WOKTWTRIWZPVMJ-GASCZTMLSA-N 1 0 305.422 3.007 40 0 DGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000079420429 277902650 /nfs/dbraw/zinc/90/26/50/277902650.db2.gz OMXAKZCBFFUATF-AWEZNQCLSA-N 1 0 315.244 3.468 40 0 DGABRO CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3)[NH2+]CCC[C@H]12 ZINC000228975127 278409856 /nfs/dbraw/zinc/40/98/56/278409856.db2.gz XRRQIGUDVJTTIW-YJBOKZPZSA-N 1 0 302.418 3.275 40 0 DGABRO CCCC[N@@H+]1CCCSCCSCCCN(C)CC1 ZINC000068604417 431136242 /nfs/dbraw/zinc/13/62/42/431136242.db2.gz CUQMBFMMYJWDCS-UHFFFAOYSA-N 1 0 304.569 3.281 40 0 DGABRO C[NH+](C)CCOc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000000407228 431175311 /nfs/dbraw/zinc/17/53/11/431175311.db2.gz IQOCODOAIGYXOB-UHFFFAOYSA-N 1 0 309.365 3.400 40 0 DGABRO CN(CC[NH+](C)C)C(=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC000001710798 431236131 /nfs/dbraw/zinc/23/61/31/431236131.db2.gz MQXDQFOZJJEPAG-SFHVURJKSA-N 1 0 302.462 3.371 40 0 DGABRO CC[NH+](CC)CCCNc1cc(OC)cc2ccc(OC)nc21 ZINC000001873652 431242865 /nfs/dbraw/zinc/24/28/65/431242865.db2.gz LZPCPSXNCLLWIZ-UHFFFAOYSA-N 1 0 317.433 3.396 40 0 DGABRO O[C@H](c1ccccc1)[C@H](O)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000004742957 431300785 /nfs/dbraw/zinc/30/07/85/431300785.db2.gz NVPXWDVMTNNNKE-VAMGGRTRSA-N 1 0 311.425 3.308 40 0 DGABRO c1ccc(Cc2cncc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000072355702 431333988 /nfs/dbraw/zinc/33/39/88/431333988.db2.gz YNQWYEFFDZOLES-FQEVSTJZSA-N 1 0 323.440 3.383 40 0 DGABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Br)s1 ZINC000072324498 431336167 /nfs/dbraw/zinc/33/61/67/431336167.db2.gz DHYMOBDSLLFTKQ-WDEREUQCSA-N 1 0 315.280 3.179 40 0 DGABRO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000072378708 431337163 /nfs/dbraw/zinc/33/71/63/431337163.db2.gz PJYRQTVLCNXEEW-MRXNPFEDSA-N 1 0 311.433 3.304 40 0 DGABRO CCOc1c(Cl)cc(Cl)cc1CNCCC[NH+](C)C ZINC000008253415 431386573 /nfs/dbraw/zinc/38/65/73/431386573.db2.gz OWFAFFLJLFDWTI-UHFFFAOYSA-N 1 0 305.249 3.433 40 0 DGABRO Cc1ccc(NC(=S)NC[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000009876212 431447527 /nfs/dbraw/zinc/44/75/27/431447527.db2.gz QAUCCRUIZWRLFG-LBPRGKRZSA-N 1 0 311.882 3.277 40 0 DGABRO Cc1cc(C)cc(OCC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000010111314 431454411 /nfs/dbraw/zinc/45/44/11/431454411.db2.gz SIUGWOKCXQVCDX-UHFFFAOYSA-N 1 0 318.461 3.065 40 0 DGABRO O=C(/C=C/c1ccc(F)cc1)NCCC[NH+]1CCCCCC1 ZINC000013673512 431563099 /nfs/dbraw/zinc/56/30/99/431563099.db2.gz CXOWEFRMKLVIED-DHZHZOJOSA-N 1 0 304.409 3.221 40 0 DGABRO Cc1ccc2cc(C[NH2+]CCc3ccccc3)c(=O)[nH]c2c1C ZINC000013566541 431560576 /nfs/dbraw/zinc/56/05/76/431560576.db2.gz RRGGBBOKJPDYMN-UHFFFAOYSA-N 1 0 306.409 3.477 40 0 DGABRO Cc1ccc(SCCC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013672756 431562471 /nfs/dbraw/zinc/56/24/71/431562471.db2.gz GGAOVHVHZLDQPW-UHFFFAOYSA-N 1 0 320.502 3.469 40 0 DGABRO Cc1ccc(SCCC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000013669200 431562592 /nfs/dbraw/zinc/56/25/92/431562592.db2.gz IUABTQXGFJPWPT-UHFFFAOYSA-N 1 0 306.475 3.079 40 0 DGABRO Cc1[nH+]c2ccccc2c(-n2cccn2)c1CCn1cccn1 ZINC000013220942 431550360 /nfs/dbraw/zinc/55/03/60/431550360.db2.gz NWVIOLGQKQXJCL-UHFFFAOYSA-N 1 0 303.369 3.168 40 0 DGABRO Cc1ccc(SCC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000013671019 431563595 /nfs/dbraw/zinc/56/35/95/431563595.db2.gz ZOAQCHZYFNSMPJ-UHFFFAOYSA-N 1 0 320.502 3.325 40 0 DGABRO CC1CC[NH+](CCCNC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000028068892 431699731 /nfs/dbraw/zinc/69/97/31/431699731.db2.gz AWXKEAVEBFQZCD-UHFFFAOYSA-N 1 0 314.473 3.417 40 0 DGABRO CC(=O)N1CCc2ccccc2[C@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000031750749 431764892 /nfs/dbraw/zinc/76/48/92/431764892.db2.gz AVKSIFQMKNTASD-PMACEKPBSA-N 1 0 306.409 3.019 40 0 DGABRO Cc1cc(Cl)ccc1NC(=O)COc1ccc(C[NH3+])cc1 ZINC000036720766 431841060 /nfs/dbraw/zinc/84/10/60/431841060.db2.gz HNFSRKKMJMURQA-UHFFFAOYSA-N 1 0 304.777 3.125 40 0 DGABRO Cc1ccc(Cl)cc1NC(=O)COc1ccc(C[NH3+])cc1 ZINC000036720767 431841144 /nfs/dbraw/zinc/84/11/44/431841144.db2.gz PFLXWXQCMMSGTA-UHFFFAOYSA-N 1 0 304.777 3.125 40 0 DGABRO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038832337 431856170 /nfs/dbraw/zinc/85/61/70/431856170.db2.gz FMMQXCVWFQZAGL-CQSZACIVSA-N 1 0 308.853 3.467 40 0 DGABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000039759987 431856286 /nfs/dbraw/zinc/85/62/86/431856286.db2.gz FUVZYOTWLAFZKX-UHFFFAOYSA-N 1 0 312.413 3.116 40 0 DGABRO NC(=[NH2+])SCc1nc(-c2cc(Cl)ccc2Cl)no1 ZINC000089262042 431862686 /nfs/dbraw/zinc/86/26/86/431862686.db2.gz ORVCMLGUHJZGSK-UHFFFAOYSA-N 1 0 303.174 3.170 40 0 DGABRO C[C@H]1C[C@H]1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048344943 431923947 /nfs/dbraw/zinc/92/39/47/431923947.db2.gz NETOMWBLWZCCJP-IUVQAAGXSA-N 1 0 314.473 3.437 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)s1 ZINC000096042962 431935156 /nfs/dbraw/zinc/93/51/56/431935156.db2.gz KTFSDTQXIZIWTA-AEGPPILISA-N 1 0 319.430 3.100 40 0 DGABRO c1coc(CN2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)c1 ZINC000096049309 431935315 /nfs/dbraw/zinc/93/53/15/431935315.db2.gz UBJOZBGPLMMVBQ-UHFFFAOYSA-N 1 0 311.429 3.305 40 0 DGABRO c1ccc(COC[C@]23CCCO[C@H]2CC[N@@H+](C2CCC2)C3)nc1 ZINC000096040277 431935785 /nfs/dbraw/zinc/93/57/85/431935785.db2.gz NGZZMZXGBBFMBF-RBUKOAKNSA-N 1 0 316.445 3.022 40 0 DGABRO Cc1ccsc1C[N@H+]1CC[C@H]2C[C@@H](c3nc(C)no3)O[C@@H]2C1 ZINC000096042970 431935964 /nfs/dbraw/zinc/93/59/64/431935964.db2.gz VUTHFZLSSCSXHJ-MELADBBJSA-N 1 0 319.430 3.100 40 0 DGABRO c1cncc(C[N@@H+]2CCCC3(CCN(c4cccnc4)CC3)C2)c1 ZINC000096071845 431936274 /nfs/dbraw/zinc/93/62/74/431936274.db2.gz VIAHFBIRVIXCQX-UHFFFAOYSA-N 1 0 322.456 3.359 40 0 DGABRO c1ccn(C[C@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2cccs2)c1 ZINC000096055345 431936439 /nfs/dbraw/zinc/93/64/39/431936439.db2.gz WMPMQDGVPGSFNJ-HYVNUMGLSA-N 1 0 302.443 3.229 40 0 DGABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccoc3)C[C@@H]12 ZINC000096058448 431936767 /nfs/dbraw/zinc/93/67/67/431936767.db2.gz PETNXQAXLXPEDC-UXHICEINSA-N 1 0 324.424 3.044 40 0 DGABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccsc1)[C@@H]2C ZINC000096061976 431937191 /nfs/dbraw/zinc/93/71/91/431937191.db2.gz JLONKNOETGFAID-CQSZACIVSA-N 1 0 318.490 3.362 40 0 DGABRO CO[C@@H]1CC[N@H+](Cc2cc(C)on2)C[C@@H]1Cc1ccccc1 ZINC000096110176 431938540 /nfs/dbraw/zinc/93/85/40/431938540.db2.gz JSYRYJPDHROWCR-FUHWJXTLSA-N 1 0 300.402 3.063 40 0 DGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3ccco3)CC[C@@H]2OC)cc1 ZINC000096110545 431938585 /nfs/dbraw/zinc/93/85/85/431938585.db2.gz ZPOMTPPZFHFOCM-LPHOPBHVSA-N 1 0 315.413 3.368 40 0 DGABRO c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)nc1 ZINC000096111033 431938611 /nfs/dbraw/zinc/93/86/11/431938611.db2.gz NVLKLZOZGUHGFR-QUCCMNQESA-N 1 0 323.440 3.296 40 0 DGABRO CN1Cc2ccccc2CC2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000096161294 431940635 /nfs/dbraw/zinc/94/06/35/431940635.db2.gz XMWQJOYMIWYNAB-UHFFFAOYSA-N 1 0 324.424 3.077 40 0 DGABRO O=C(c1cccc(F)c1)N1CCC2(CC([NH+]3CCCC3)C2)CC1 ZINC000096159221 431940692 /nfs/dbraw/zinc/94/06/92/431940692.db2.gz ZULNKAWVOKCULK-UHFFFAOYSA-N 1 0 316.420 3.306 40 0 DGABRO Cc1nc(CN2CC[C@@H]3O[C@@H](COCC4CC4)CC[C@@H]32)cs1 ZINC000096186692 431941253 /nfs/dbraw/zinc/94/12/53/431941253.db2.gz TVDQYXVKHCATKN-IKGGRYGDSA-N 1 0 322.474 3.000 40 0 DGABRO c1csc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)c1 ZINC000096189085 431941754 /nfs/dbraw/zinc/94/17/54/431941754.db2.gz KTEXJUYKJHQNRK-HNNXBMFYSA-N 1 0 317.458 3.003 40 0 DGABRO COC[C@@H]1CN(Cc2cccs2)Cc2c1cnn2CC1CC1 ZINC000096197911 431941911 /nfs/dbraw/zinc/94/19/11/431941911.db2.gz SFVOESRSHHFUNA-AWEZNQCLSA-N 1 0 317.458 3.100 40 0 DGABRO O=C1N(Cc2ccccc2)CC12CC[NH+](CC1CCCC1)CC2 ZINC000096202908 431942172 /nfs/dbraw/zinc/94/21/72/431942172.db2.gz QDSITWIASGGFKY-UHFFFAOYSA-N 1 0 312.457 3.301 40 0 DGABRO CC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096215508 431942336 /nfs/dbraw/zinc/94/23/36/431942336.db2.gz MDTGNPJNVQHEEI-KRWDZBQOSA-N 1 0 324.827 3.314 40 0 DGABRO c1cc(C[N@H+]2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)cs1 ZINC000096220145 431942480 /nfs/dbraw/zinc/94/24/80/431942480.db2.gz AAONOPOVCOGAGK-IRXDYDNUSA-N 1 0 307.459 3.298 40 0 DGABRO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(c1cccc(C)n1)CC2 ZINC000096240304 431943120 /nfs/dbraw/zinc/94/31/20/431943120.db2.gz LQXNGSUKNNYXLJ-KRWDZBQOSA-N 1 0 317.477 3.106 40 0 DGABRO Cc1nc(C)c(C[N@@H+]2CCOC[C@H](Oc3ccccc3)C2)s1 ZINC000096296489 431943645 /nfs/dbraw/zinc/94/36/45/431943645.db2.gz IKHRACHUMIIWJJ-MRXNPFEDSA-N 1 0 318.442 3.040 40 0 biogenic,in-vitro DGABRO C[NH2+][C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000100178408 431981170 /nfs/dbraw/zinc/98/11/70/431981170.db2.gz FBVFIVBMNRYTNA-IYBDPMFKSA-N 1 0 302.418 3.318 40 0 DGABRO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000248009325 432261726 /nfs/dbraw/zinc/26/17/26/432261726.db2.gz PAPNJUCNURORGR-MAUKXSAKSA-N 1 0 322.399 3.045 40 0 DGABRO C[NH+](C)C[C@H]1CN(Cc2cccc3ccccc32)Cc2cncn21 ZINC000248081365 432266772 /nfs/dbraw/zinc/26/67/72/432266772.db2.gz CUNAQEVDGTTZJE-IBGZPJMESA-N 1 0 320.440 3.155 40 0 DGABRO CC(C)[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000260901786 432428975 /nfs/dbraw/zinc/42/89/75/432428975.db2.gz NZXPBGFQXNBDBW-ZBFHGGJFSA-N 1 0 306.425 3.198 40 0 DGABRO Cc1nc(C[N@H+]2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)cs1 ZINC000257218974 432417796 /nfs/dbraw/zinc/41/77/96/432417796.db2.gz DFBNQLCQWABQDN-XOKHGSTOSA-N 1 0 315.442 3.136 40 0 DGABRO CC(=O)N1[C@H](Cc2ccccc2)C[C@]2(C)[NH2+]CCCCC[C@H]12 ZINC000257201452 432418332 /nfs/dbraw/zinc/41/83/32/432418332.db2.gz AHTWRJORCKAJFW-QYZOEREBSA-N 1 0 300.446 3.141 40 0 DGABRO Cc1n[nH]c(C)c1-c1cncc(CC2CC[NH+](C(C)C)CC2)n1 ZINC000257214986 432418834 /nfs/dbraw/zinc/41/88/34/432418834.db2.gz COEWUGGPABIZPN-UHFFFAOYSA-N 1 0 313.449 3.146 40 0 DGABRO Cc1ccnc([C@H]2CC[N@@H+](Cc3cn(C)c4ccccc34)C2)n1 ZINC000257234965 432421264 /nfs/dbraw/zinc/42/12/64/432421264.db2.gz GVUSMAYNLZYKPL-HNNXBMFYSA-N 1 0 306.413 3.266 40 0 DGABRO c1cc2cc(C[C@@H]3CCC[N@H+](Cc4ccccn4)C3)cnc2[nH]1 ZINC000257229246 432421332 /nfs/dbraw/zinc/42/13/32/432421332.db2.gz FXIMSKPXDLLUDD-HNNXBMFYSA-N 1 0 306.413 3.413 40 0 DGABRO Cc1nc([C@H]2CCCCN2Cc2cscn2)cc2c[nH+]cn21 ZINC000257267209 432425568 /nfs/dbraw/zinc/42/55/68/432425568.db2.gz MGJPHSHIATZDQL-MRXNPFEDSA-N 1 0 313.430 3.221 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccccc1OC ZINC000225769113 432697251 /nfs/dbraw/zinc/69/72/51/432697251.db2.gz CPZZXMODMNYKCA-HNNXBMFYSA-N 1 0 319.449 3.471 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(OC)c(F)c1 ZINC000225393188 432689640 /nfs/dbraw/zinc/68/96/40/432689640.db2.gz SDWUJUKHWUNPDM-OAHLLOKOSA-N 1 0 322.424 3.219 40 0 DGABRO Fc1cccc(NC(=S)NCCC[NH+]2CCCCCC2)c1 ZINC000225399641 432689727 /nfs/dbraw/zinc/68/97/27/432689727.db2.gz BVEJRECATILFPB-UHFFFAOYSA-N 1 0 309.454 3.378 40 0 DGABRO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000331523024 432946824 /nfs/dbraw/zinc/94/68/24/432946824.db2.gz KNVRMPUKIQNPCE-OSRSDYAFSA-N 1 0 319.424 3.046 40 0 DGABRO CNc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C(C)C)[nH+]1 ZINC000328973207 434336659 /nfs/dbraw/zinc/33/66/59/434336659.db2.gz FANXFMUFYSUZQF-UHFFFAOYSA-N 1 0 310.445 3.940 40 0 DGABRO CC(C)(C)Nc1nc(NCCc2ccncc2)cc(C2CC2)[nH+]1 ZINC000328998627 434341093 /nfs/dbraw/zinc/34/10/93/434341093.db2.gz JTQPZUTUVVEYHT-UHFFFAOYSA-N 1 0 311.433 3.614 40 0 DGABRO CC(C)Nc1nc(N2CCc3ccccc3C2)cc(C(C)C)[nH+]1 ZINC000329040746 434349579 /nfs/dbraw/zinc/34/95/79/434349579.db2.gz SEKKVRPILXNSRW-UHFFFAOYSA-N 1 0 310.445 3.983 40 0 DGABRO CCNc1nc(N2Cc3ccccc3C[C@H]2C)cc(C(C)C)[nH+]1 ZINC000329068316 434354983 /nfs/dbraw/zinc/35/49/83/434354983.db2.gz YPGDWAIAMQWFPV-CQSZACIVSA-N 1 0 310.445 3.983 40 0 DGABRO Cc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408609891 434589302 /nfs/dbraw/zinc/58/93/02/434589302.db2.gz PHJZVVLKUSLFFT-HXUWFJFHSA-N 1 0 320.436 3.268 40 0 DGABRO CO[C@H]1CCC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000377240544 313031938 /nfs/dbraw/zinc/03/19/38/313031938.db2.gz DGSQLCVOLMDNPC-SFHVURJKSA-N 1 0 313.445 3.490 40 0 DGABRO CC[C@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2cncs2)CC1 ZINC000585100445 547025168 /nfs/dbraw/zinc/02/51/68/547025168.db2.gz KOMWWOCRNFRYAF-YOEHRIQHSA-N 1 0 321.490 3.289 40 0 DGABRO CC(C)[C@@H]([NH3+])c1nc(COc2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000095534793 185378998 /nfs/dbraw/zinc/37/89/98/185378998.db2.gz LQAJTDHLNPBDPY-OAHLLOKOSA-N 1 0 302.422 3.337 40 0 DGABRO c1cn(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000072350480 191128022 /nfs/dbraw/zinc/12/80/22/191128022.db2.gz MRHFAKLTJFBQAJ-KRWDZBQOSA-N 1 0 319.412 3.042 40 0 DGABRO Cc1cc(CCC(=O)Nc2cccnc2)cc([C@H]2CCC[N@H+]2C)n1 ZINC000072360558 191132315 /nfs/dbraw/zinc/13/23/15/191132315.db2.gz LQHZODQUILMVMM-GOSISDBHSA-N 1 0 324.428 3.123 40 0 DGABRO Cc1cccnc1Nc1cncc([C@@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000072376295 191139081 /nfs/dbraw/zinc/13/90/81/191139081.db2.gz SGAQDXHPPYBQQI-INIZCTEOSA-N 1 0 309.417 3.471 40 0 DGABRO c1cn(-c2cccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cn1 ZINC000072378618 191141722 /nfs/dbraw/zinc/14/17/22/191141722.db2.gz BTJLJLGTCRZOSQ-INIZCTEOSA-N 1 0 319.412 3.042 40 0 DGABRO Cc1nc(Nc2cnccn2)cc([C@H]2CCCC[N@H+]2C(C)C)n1 ZINC000072382648 191142661 /nfs/dbraw/zinc/14/26/61/191142661.db2.gz XSOJXSHZCIIYRI-OAHLLOKOSA-N 1 0 312.421 3.254 40 0 DGABRO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072378643 191141849 /nfs/dbraw/zinc/14/18/49/191141849.db2.gz UANVUJILONMTSA-GOSISDBHSA-N 1 0 319.412 3.308 40 0 DGABRO Cc1nc(Nc2ncccn2)cc(C2C[NH+](C3CCCCC3)C2)n1 ZINC000072382606 191142070 /nfs/dbraw/zinc/14/20/70/191142070.db2.gz 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319.445 3.325 40 0 DGABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1ccc(C)c(C)c1)CC2 ZINC000096220608 431942376 /nfs/dbraw/zinc/94/23/76/431942376.db2.gz VXFUECPDVJHANP-GOSISDBHSA-N 1 0 303.446 3.463 40 0 DGABRO COC[C@H]1CCC2(CCN(Cc3ccc(C)s3)CC2)[N@@H+]1C ZINC000096209486 431942452 /nfs/dbraw/zinc/94/24/52/431942452.db2.gz BVXIXKAOTBMVRM-OAHLLOKOSA-N 1 0 308.491 3.132 40 0 DGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)C4CCC4)C3)C2)o1 ZINC000096215946 431942508 /nfs/dbraw/zinc/94/25/08/431942508.db2.gz IREGMEBPWVZQML-IBGZPJMESA-N 1 0 316.445 3.203 40 0 DGABRO O=C(c1ccsc1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096227899 431942724 /nfs/dbraw/zinc/94/27/24/431942724.db2.gz XSSQGAWZWMDFSE-UHFFFAOYSA-N 1 0 304.459 3.229 40 0 DGABRO C[NH+]1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 ZINC000096267266 431944121 /nfs/dbraw/zinc/94/41/21/431944121.db2.gz UZEJMEOOQGVYAY-UHFFFAOYSA-N 1 0 310.376 3.345 40 0 DGABRO CC1=C[C@@H](C)[C@H]([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)[C@H](C)C1 ZINC000053944170 431965611 /nfs/dbraw/zinc/96/56/11/431965611.db2.gz MPVKDSOURSACLP-AVRGHOLYSA-N 1 0 309.417 3.323 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)o1 ZINC000248073885 432265579 /nfs/dbraw/zinc/26/55/79/432265579.db2.gz GXHKPNLWTZSUHT-HOCLYGCPSA-N 1 0 317.458 3.141 40 0 DGABRO c1cc2n(n1)[C@H](CCOc1cccnc1)C[N@@H+](C1CCCC1)C2 ZINC000253588909 432400068 /nfs/dbraw/zinc/40/00/68/432400068.db2.gz YQVLHDWEXDBJMI-QGZVFWFLSA-N 1 0 312.417 3.047 40 0 DGABRO CCn1nccc1-c1cc([C@H]2CCC[N@@H+](C(C)C)C2)nc(C)n1 ZINC000257222005 432420003 /nfs/dbraw/zinc/42/00/03/432420003.db2.gz DRMYFFSLCKYQRF-HNNXBMFYSA-N 1 0 313.449 3.256 40 0 DGABRO Cc1[nH+]cc2cncc(C3CCN(C(=O)CC(C)(C)C)CC3)n21 ZINC000257253018 432421984 /nfs/dbraw/zinc/42/19/84/432421984.db2.gz JXGJDDXAVDWXKU-UHFFFAOYSA-N 1 0 314.433 3.180 40 0 DGABRO CCCn1cc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)cn1 ZINC000257246474 432422167 /nfs/dbraw/zinc/42/21/67/432422167.db2.gz IUGHUEUQRZZPJV-AWEZNQCLSA-N 1 0 304.463 3.204 40 0 DGABRO c1cc(C[C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)n[nH]1 ZINC000257243614 432422793 /nfs/dbraw/zinc/42/27/93/432422793.db2.gz IHUIGLHXQMDUSZ-OAHLLOKOSA-N 1 0 306.413 3.413 40 0 DGABRO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3ccsc3)C2)[nH+]1 ZINC000257244973 432423069 /nfs/dbraw/zinc/42/30/69/432423069.db2.gz INOJOSKZIXXDJM-CYBMUJFWSA-N 1 0 315.442 3.147 40 0 DGABRO c1c[nH]c(C[N@H+]2CCC[C@H](Cc3ccnc4ccncc34)CC2)n1 ZINC000257249504 432423565 /nfs/dbraw/zinc/42/35/65/432423565.db2.gz JIRNCGZKMCAVBI-HNNXBMFYSA-N 1 0 321.428 3.198 40 0 DGABRO Cc1ccccc1O[C@@H](C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000216452886 432651179 /nfs/dbraw/zinc/65/11/79/432651179.db2.gz XPLIOTPZIKCVPR-KRWDZBQOSA-N 1 0 318.461 3.001 40 0 DGABRO Cc1ccnc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000225731902 432695666 /nfs/dbraw/zinc/69/56/66/432695666.db2.gz WWCCZCPJWVTTJE-GJZGRUSLSA-N 1 0 320.506 3.044 40 0 DGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc(F)cc2)C1 ZINC000225727724 432696537 /nfs/dbraw/zinc/69/65/37/432696537.db2.gz PUGLPAVARNALLA-ZIAGYGMSSA-N 1 0 323.481 3.480 40 0 DGABRO COc1ccccc1CN1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000224073401 432680332 /nfs/dbraw/zinc/68/03/32/432680332.db2.gz UOKVAMYHHWWGJP-YQVWRLOYSA-N 1 0 312.457 3.025 40 0 DGABRO CC1(C)CN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c2cccc(Cl)c21 ZINC000331734974 432960745 /nfs/dbraw/zinc/96/07/45/432960745.db2.gz ULKLQCJSUKXLEP-RYUDHWBXSA-N 1 0 321.852 3.275 40 0 DGABRO Clc1cccc(CNc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000328967234 434334945 /nfs/dbraw/zinc/33/49/45/434334945.db2.gz CRQHLSAECNESOC-UHFFFAOYSA-N 1 0 314.820 3.038 40 0 DGABRO Clc1ccc(CNc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000328974220 434336436 /nfs/dbraw/zinc/33/64/36/434336436.db2.gz FEEYIXVBBWYMHS-UHFFFAOYSA-N 1 0 314.820 3.038 40 0 DGABRO Clc1cc(NCCC2CC[NH2+]CC2)nc(-c2ccccc2)n1 ZINC000329018963 434343143 /nfs/dbraw/zinc/34/31/43/434343143.db2.gz NUGROLNIXDRKEM-UHFFFAOYSA-N 1 0 316.836 3.599 40 0 DGABRO CCNc1nc(N2CCc3cc(Cl)ccc3C2)cc(CC)[nH+]1 ZINC000329046112 434351306 /nfs/dbraw/zinc/35/13/06/434351306.db2.gz UACJCAVOGXDQGT-UHFFFAOYSA-N 1 0 316.836 3.687 40 0 DGABRO COc1cc2c(cc1F)C[N@H+](CCc1cccc(C)n1)CC2 ZINC000565713712 315282455 /nfs/dbraw/zinc/28/24/55/315282455.db2.gz NBILHGXJRFJXIS-UHFFFAOYSA-N 1 0 300.377 3.139 40 0 DGABRO COc1ccccc1-c1cnc2n1C[C@@]1(CC[N@@H+](C3CCC3)C1)C2 ZINC000306125150 533913482 /nfs/dbraw/zinc/91/34/82/533913482.db2.gz CIBVZMRVZZADBF-FQEVSTJZSA-N 1 0 323.440 3.359 40 0 DGABRO Fc1ccc2ncnc(NC3CC([NH+]4CCCCC4)C3)c2c1 ZINC000360099848 546713539 /nfs/dbraw/zinc/71/35/39/546713539.db2.gz BWIJBUJTYKUURR-UHFFFAOYSA-N 1 0 300.381 3.198 40 0 DGABRO CC[C@@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2cncs2)CC1 ZINC000585100441 547025129 /nfs/dbraw/zinc/02/51/29/547025129.db2.gz KOMWWOCRNFRYAF-PBHICJAKSA-N 1 0 321.490 3.289 40 0 DGABRO CC[C@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2cncs2)CC1 ZINC000585100444 547025538 /nfs/dbraw/zinc/02/55/38/547025538.db2.gz KOMWWOCRNFRYAF-WMLDXEAASA-N 1 0 321.490 3.289 40 0 DGABRO c1ccc(COc2ccc(C[NH2+]CCN3CCCC3)cc2)cc1 ZINC000060844455 1195160208 /nfs/dbraw/zinc/16/02/08/1195160208.db2.gz HTNATGXIZIIXJD-UHFFFAOYSA-N 1 0 310.441 3.451 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccncc1 ZINC000225585115 186280322 /nfs/dbraw/zinc/28/03/22/186280322.db2.gz BNKXBYOHYIKAKJ-HNNXBMFYSA-N 1 0 306.479 3.023 40 0 DGABRO COc1cc(Cl)cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1OC ZINC000072324750 191123404 /nfs/dbraw/zinc/12/34/04/191123404.db2.gz SXWZNVJUBWKOFT-DOMZBBRYSA-N 1 0 324.852 3.026 40 0 DGABRO CNc1cc(CN(C)C)nc([C@H]2CCCC[N@@H+]2C2CCCC2)n1 ZINC000072352019 191129447 /nfs/dbraw/zinc/12/94/47/191129447.db2.gz LPPGYHNLMWGHTQ-MRXNPFEDSA-N 1 0 317.481 3.050 40 0 DGABRO c1cnc(Nc2nccnc2[C@H]2CCC[N@H+]2C2CCCC2)cn1 ZINC000072363426 191131862 /nfs/dbraw/zinc/13/18/62/191131862.db2.gz HNWFBIMAMJSTNV-CQSZACIVSA-N 1 0 310.405 3.090 40 0 DGABRO O=C(Nc1ccc(Cl)cc1)c1ccnc(C2CC[NH2+]CC2)c1 ZINC000072365604 191133921 /nfs/dbraw/zinc/13/39/21/191133921.db2.gz UPJMWZQVDKEIEQ-UHFFFAOYSA-N 1 0 315.804 3.454 40 0 DGABRO C[N@@H+]1CCC[C@H]1c1cccc(C(=O)Nc2ccc(Cl)cn2)n1 ZINC000072365698 191135638 /nfs/dbraw/zinc/13/56/38/191135638.db2.gz NVZVAGMUASBAKV-AWEZNQCLSA-N 1 0 316.792 3.149 40 0 DGABRO c1ccc(-c2noc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072369819 191140029 /nfs/dbraw/zinc/14/00/29/191140029.db2.gz YIDVCSXXHXSMFX-MRXNPFEDSA-N 1 0 306.369 3.121 40 0 DGABRO CC[NH+]1CCN(Cc2c3cccnc3[nH]c2C2CCCC2)CC1 ZINC000072393345 191148890 /nfs/dbraw/zinc/14/88/90/191148890.db2.gz UUZYLJCAIVWLLP-UHFFFAOYSA-N 1 0 312.461 3.358 40 0 DGABRO COc1ccc(C(=O)[C@H]2SC(=[NH2+])N[C@@H]2c2ccccc2)cc1 ZINC000003019697 180977432 /nfs/dbraw/zinc/97/74/32/180977432.db2.gz ZCHDLPRNEZDIPX-ZBFHGGJFSA-N 1 0 312.394 3.049 40 0 DGABRO COc1cc2c3c(c1OCc1ccccc1)NCC[C@H]3[NH2+]CC2 ZINC000003594039 181037653 /nfs/dbraw/zinc/03/76/53/181037653.db2.gz GYXBHLYSDHWPLS-OAHLLOKOSA-N 1 0 310.397 3.277 40 0 DGABRO COc1cc2c(cc1O)[C@@H](CCc1ccc(O)cc1)[N@H+](C)CC2 ZINC000003847470 181048974 /nfs/dbraw/zinc/04/89/74/181048974.db2.gz DTOIFYMRBLCQCF-QGZVFWFLSA-N 1 0 313.397 3.268 40 0 DGABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000067801285 432041643 /nfs/dbraw/zinc/04/16/43/432041643.db2.gz AYYXKFMEIZHHDU-CQSZACIVSA-N 1 0 308.397 3.315 40 0 DGABRO CC(C)[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000004825144 181157275 /nfs/dbraw/zinc/15/72/75/181157275.db2.gz SBOOCUVWKAXDSY-JCGIZDLHSA-N 1 0 318.461 3.476 40 0 DGABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(OC)cc1)C2 ZINC000004887027 181167687 /nfs/dbraw/zinc/16/76/87/181167687.db2.gz WVBLWCCUEQTIIH-ALOPSCKCSA-N 1 0 316.445 3.221 40 0 DGABRO C[C@@H]1CCC[N@H+](CCCNC(=O)Cc2cccc(Cl)c2)C1 ZINC000067906880 432045089 /nfs/dbraw/zinc/04/50/89/432045089.db2.gz PIHICHLMNRZMKD-CQSZACIVSA-N 1 0 308.853 3.121 40 0 DGABRO CC1CC[NH+](CCCNC(=O)Cc2cccc(Cl)c2)CC1 ZINC000067901289 432045562 /nfs/dbraw/zinc/04/55/62/432045562.db2.gz SXDIPIMNRGERQM-UHFFFAOYSA-N 1 0 308.853 3.121 40 0 DGABRO O=C1C[C@@H]([NH2+]C2CCCCCCC2)C(=O)N1c1ccccc1 ZINC000004954092 181178675 /nfs/dbraw/zinc/17/86/75/181178675.db2.gz HHXVUBYMSSNJMC-MRXNPFEDSA-N 1 0 300.402 3.021 40 0 DGABRO O=C(CC[NH+]1CCCCC1)c1ccc2c(c1)OCCCCO2 ZINC000005514231 181252245 /nfs/dbraw/zinc/25/22/45/181252245.db2.gz FZTUKKJKVWHJSU-UHFFFAOYSA-N 1 0 303.402 3.297 40 0 DGABRO COc1cc(C=O)ccc1OCCCC[NH+]1CCC(C)CC1 ZINC000217797034 201524562 /nfs/dbraw/zinc/52/45/62/201524562.db2.gz QKDDTBQLQINRHW-UHFFFAOYSA-N 1 0 305.418 3.399 40 0 DGABRO CC(C)n1cc(-c2cnc(C[C@@H]3CC[N@@H+](C(C)C)C3)cn2)cn1 ZINC000257304652 203030868 /nfs/dbraw/zinc/03/08/68/203030868.db2.gz SMOHNWAYMZKVAB-HNNXBMFYSA-N 1 0 313.449 3.194 40 0 DGABRO COCc1sc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)nc1C ZINC000257282521 203010822 /nfs/dbraw/zinc/01/08/22/203010822.db2.gz OUATVSINHWBCQB-GFCCVEGCSA-N 1 0 303.431 3.127 40 0 DGABRO CCn1nccc1-c1cc(C2CC[NH+](C(C)C)CC2)nc(C)n1 ZINC000257285778 203011608 /nfs/dbraw/zinc/01/16/08/203011608.db2.gz PIVUSBBPYMEUBZ-UHFFFAOYSA-N 1 0 313.449 3.256 40 0 DGABRO Cc1cn(C)c([C@@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257294685 203018946 /nfs/dbraw/zinc/01/89/46/203018946.db2.gz QVGZCZLBYUPWNI-GOSISDBHSA-N 1 0 323.440 3.384 40 0 DGABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c1F ZINC000257295877 203020274 /nfs/dbraw/zinc/02/02/74/203020274.db2.gz RAFXUOBLBSBZHR-CQSZACIVSA-N 1 0 315.392 3.312 40 0 DGABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)N2CCCC2)c1 ZINC000257330929 203053544 /nfs/dbraw/zinc/05/35/44/203053544.db2.gz XQPUCPXGMBINIH-UHFFFAOYSA-N 1 0 309.413 3.046 40 0 DGABRO CCn1cc(-c2cnc(C[C@@H]3CCC[N@@H+](C(C)C)C3)cn2)cn1 ZINC000257312272 203037402 /nfs/dbraw/zinc/03/74/02/203037402.db2.gz UNDSXMXFFVVQGQ-HNNXBMFYSA-N 1 0 313.449 3.023 40 0 DGABRO CC(C)Cc1ncc(-c2cncc(C[C@H]3CCC[NH2+]C3)n2)s1 ZINC000257337320 203060369 /nfs/dbraw/zinc/06/03/69/203060369.db2.gz YSIHSEARFHYSQU-CYBMUJFWSA-N 1 0 316.474 3.341 40 0 DGABRO c1ccc(O[C@@H]2COC3(C2)CC[NH+](CC2CCC2)CC3)cc1 ZINC000096221854 193589628 /nfs/dbraw/zinc/58/96/28/193589628.db2.gz FKOXXDVWEKCZPR-SFHVURJKSA-N 1 0 301.430 3.489 40 0 DGABRO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000010279867 181663370 /nfs/dbraw/zinc/66/33/70/181663370.db2.gz QCRCBSHTEARHBV-CQSZACIVSA-N 1 0 324.852 3.100 40 0 DGABRO CN(C)c1ccc(C[NH2+]CCc2nc3ccccc3n2C)s1 ZINC000019289924 182112770 /nfs/dbraw/zinc/11/27/70/182112770.db2.gz OJEWHWIWJFKEST-UHFFFAOYSA-N 1 0 314.458 3.033 40 0 DGABRO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)c1 ZINC000019120575 182105351 /nfs/dbraw/zinc/10/53/51/182105351.db2.gz CEWUTPZQPYQJOG-MAUKXSAKSA-N 1 0 300.402 3.493 40 0 DGABRO Fc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000019293790 182113565 /nfs/dbraw/zinc/11/35/65/182113565.db2.gz VPBJLNQDQNDIIJ-OAHLLOKOSA-N 1 0 324.359 3.260 40 0 DGABRO Cc1ccc(CN2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1C ZINC000019214012 182107598 /nfs/dbraw/zinc/10/75/98/182107598.db2.gz QDJOSCBNVODECI-IBGZPJMESA-N 1 0 322.456 3.076 40 0 DGABRO Cc1ccc([C@H](Cc2ccccc2)[NH2+]CCN2CCOCC2)cc1 ZINC000019365967 182119432 /nfs/dbraw/zinc/11/94/32/182119432.db2.gz JPWJDMZLHLFVQL-NRFANRHFSA-N 1 0 324.468 3.201 40 0 DGABRO COc1ccccc1C[NH2+][C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019570868 182131052 /nfs/dbraw/zinc/13/10/52/182131052.db2.gz YSUXAIHVGROHTO-DLBZAZTESA-N 1 0 301.361 3.107 40 0 DGABRO Cc1nn(C)cc1-c1cncn1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000019719468 182137496 /nfs/dbraw/zinc/13/74/96/182137496.db2.gz YRGZYKIELMYCMO-LJQANCHMSA-N 1 0 323.444 3.203 40 0 DGABRO C[NH+](C)CCN(Cc1cccs1)Cc1nc2ccccc2[nH]1 ZINC000019582661 182132506 /nfs/dbraw/zinc/13/25/06/182132506.db2.gz DUXQNKVKNRUWCC-UHFFFAOYSA-N 1 0 314.458 3.188 40 0 DGABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCCC[NH+](C)C ZINC000020106478 182186728 /nfs/dbraw/zinc/18/67/28/182186728.db2.gz MZMATRXSGDWBEY-KRWDZBQOSA-N 1 0 314.429 3.065 40 0 DGABRO [NH3+]Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000020224330 182198606 /nfs/dbraw/zinc/19/86/06/182198606.db2.gz BGUBFXROXVFJBM-UHFFFAOYSA-N 1 0 305.175 3.160 40 0 DGABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCC[NH+]1CCCC1 ZINC000020453882 182219607 /nfs/dbraw/zinc/21/96/07/182219607.db2.gz WISLNHMAYJHMNA-OAHLLOKOSA-N 1 0 324.852 3.100 40 0 DGABRO CCOc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1OCC ZINC000022076042 182308509 /nfs/dbraw/zinc/30/85/09/182308509.db2.gz IZIXNQWHRBJTAF-KRWDZBQOSA-N 1 0 315.413 3.307 40 0 DGABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCC[NH+]1CCCC1 ZINC000022518029 182324219 /nfs/dbraw/zinc/32/42/19/182324219.db2.gz NRNOHBAAIHDXKG-QGZVFWFLSA-N 1 0 318.461 3.063 40 0 DGABRO O=C1NCCCC[C@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000038635481 183005579 /nfs/dbraw/zinc/00/55/79/183005579.db2.gz BRAYCQJGMBISSA-LJQANCHMSA-N 1 0 308.425 3.358 40 0 DGABRO O=c1c(-c2ccc3ccccc3c2)ccc2n1C[C@@H]1C[NH2+]C[C@H]2C1 ZINC000004237106 285204777 /nfs/dbraw/zinc/20/47/77/285204777.db2.gz OBEGZQNTYJFXNP-KBXCAEBGSA-N 1 0 316.404 3.375 40 0 biogenic,in-vitro DGABRO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072219647 257124089 /nfs/dbraw/zinc/12/40/89/257124089.db2.gz QTHYILWEYSHACM-SFHVURJKSA-N 1 0 317.477 3.410 40 0 DGABRO Cc1cc([C@H]2CCCC[N@H+]2C(C)C)cnc1N1CCOCC1 ZINC000072219361 257124106 /nfs/dbraw/zinc/12/41/06/257124106.db2.gz NSVFESPTSAKIAK-QGZVFWFLSA-N 1 0 303.450 3.162 40 0 DGABRO CC(=O)N1CCCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219195 257124433 /nfs/dbraw/zinc/12/44/33/257124433.db2.gz YOUDUKUJGUDBLU-QGZVFWFLSA-N 1 0 301.434 3.454 40 0 DGABRO Cc1nc(N(C)C)ccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072218747 257124479 /nfs/dbraw/zinc/12/44/79/257124479.db2.gz PSGKMULVQBQGQR-KRWDZBQOSA-N 1 0 309.413 3.433 40 0 DGABRO Cc1nc(N2CCOCC2)ccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072219646 257124496 /nfs/dbraw/zinc/12/44/96/257124496.db2.gz PVLUUXAKEMHSFX-QGZVFWFLSA-N 1 0 303.450 3.162 40 0 DGABRO Cc1cc(N2CCOCC2)ncc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072219404 257124529 /nfs/dbraw/zinc/12/45/29/257124529.db2.gz FUCGXNRCHZWWCZ-QGZVFWFLSA-N 1 0 303.450 3.020 40 0 DGABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216186 257124810 /nfs/dbraw/zinc/12/48/10/257124810.db2.gz MLQDVTBPJOGIEO-QGZVFWFLSA-N 1 0 303.450 3.245 40 0 DGABRO CCOc1ccc(Cl)cc1-c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000072209122 257127805 /nfs/dbraw/zinc/12/78/05/257127805.db2.gz IUZJIWHAFBOOAY-JTQLQIEISA-N 1 0 307.781 3.256 40 0 DGABRO Cc1ccccc1C(=O)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238866494 257213484 /nfs/dbraw/zinc/21/34/84/257213484.db2.gz LWUJVCXSUBLQOE-LJQANCHMSA-N 1 0 320.436 3.268 40 0 DGABRO O[C@@H]1C2CC[NH+](CC2)[C@@H]1[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000005063909 296563212 /nfs/dbraw/zinc/56/32/12/296563212.db2.gz YDKJBGPGEVAPRN-XUVXKRRUSA-N 1 0 311.400 3.413 40 0 DGABRO COCC[C@H]1CCOC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000585104283 400125834 /nfs/dbraw/zinc/12/58/34/400125834.db2.gz GREBRLIPQFWZSQ-INIZCTEOSA-N 1 0 307.409 3.233 40 0 DGABRO Cc1cccc(CO[C@@H]2CSC3(C[NH+](CC4CCC4)C3)C2)n1 ZINC000585105348 400126122 /nfs/dbraw/zinc/12/61/22/400126122.db2.gz UTSRXMIHHBQAIJ-KRWDZBQOSA-N 1 0 318.486 3.267 40 0 DGABRO CCCC(CCC)[N@@H+]1CCOC[C@@](O)(COc2ccccc2)C1 ZINC000585287863 400130050 /nfs/dbraw/zinc/13/00/50/400130050.db2.gz UDWXMIYZWFBRQT-LJQANCHMSA-N 1 0 321.461 3.098 40 0 DGABRO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)c2ccsc2)ccn1 ZINC000585182245 400130341 /nfs/dbraw/zinc/13/03/41/400130341.db2.gz HVHAPIKTJLQGBK-INIZCTEOSA-N 1 0 315.442 3.182 40 0 DGABRO CCC[N@@H+]1CC[C@@H](c2cc(COc3ccc(F)cc3)[nH]n2)C1 ZINC000019738927 400186203 /nfs/dbraw/zinc/18/62/03/400186203.db2.gz LNISOGMBVWCKET-CYBMUJFWSA-N 1 0 303.381 3.327 40 0 DGABRO Clc1ccc2c(c1)nc(N1CC[NH2+]CC1)nc2-c1ccccc1 ZINC000136886004 400592969 /nfs/dbraw/zinc/59/29/69/400592969.db2.gz IFLRYHMXKKMNLJ-UHFFFAOYSA-N 1 0 324.815 3.360 40 0 DGABRO CCOC(=O)[C@@H](CN)[C@@]1([NH+](CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351897 400948025 /nfs/dbraw/zinc/94/80/25/400948025.db2.gz OCKDPBVSIVVMTJ-QXGSTGNESA-N 1 0 324.509 3.051 40 0 DGABRO C[NH+](C)Cc1cccc(-c2ccc(NC[C@H]3CCCO3)nc2)c1 ZINC000629707663 401052269 /nfs/dbraw/zinc/05/22/69/401052269.db2.gz WELPGARTLTZGTB-GOSISDBHSA-N 1 0 311.429 3.401 40 0 DGABRO CC[N@@H+]1CC[C@H](C2(C(=O)OC)c3ccccc3-c3ccccc32)C1 ZINC000005640173 276221343 /nfs/dbraw/zinc/22/13/43/276221343.db2.gz VTXNXLIZQOUASX-HNNXBMFYSA-N 1 0 321.420 3.468 40 0 DGABRO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[NH2+]2)n1 ZINC000257270201 276897324 /nfs/dbraw/zinc/89/73/24/276897324.db2.gz MTDKAVQFMPELQA-OAHLLOKOSA-N 1 0 300.381 3.163 40 0 DGABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@]21COCC[NH2+]1 ZINC000306146010 277204757 /nfs/dbraw/zinc/20/47/57/277204757.db2.gz ZHCFQGHTGJMPNR-GOSISDBHSA-N 1 0 318.417 3.185 40 0 DGABRO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000020009113 277911341 /nfs/dbraw/zinc/91/13/41/277911341.db2.gz VWNPDOBODKGLFJ-BREBYQMCSA-N 1 0 303.233 3.102 40 0 DGABRO Cc1cccnc1C[NH+]1CCC2(CC(Nc3ncccn3)C2)CC1 ZINC000108527660 431145996 /nfs/dbraw/zinc/14/59/96/431145996.db2.gz YKJWJTZMQZVEHH-UHFFFAOYSA-N 1 0 323.444 3.037 40 0 DGABRO CC(C)C(=O)O[C@H]1c2cc(OCC[NH+](C)C)ccc2C[C@H]1C ZINC000001668198 431235916 /nfs/dbraw/zinc/23/59/16/431235916.db2.gz MZHSSHXKQOTGOQ-CXAGYDPISA-N 1 0 305.418 3.060 40 0 DGABRO Cc1cc(C)c(C2[C@@H]3c4ccccc4CCN3O[N+]2=O)c(C)c1 ZINC000001711036 431236653 /nfs/dbraw/zinc/23/66/53/431236653.db2.gz CEMWUBTWTCUPGQ-SFHVURJKSA-N 1 0 308.381 3.371 40 0 DGABRO COc1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1Cl ZINC000004687168 431300134 /nfs/dbraw/zinc/30/01/34/431300134.db2.gz LCMIMDHMUFQBMC-INIZCTEOSA-N 1 0 305.805 3.214 40 0 DGABRO Cc1nccn1-c1cncc([C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000072378714 431334788 /nfs/dbraw/zinc/33/47/88/431334788.db2.gz DVGZURQMZNEVCL-KRWDZBQOSA-N 1 0 311.433 3.440 40 0 DGABRO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)cc1 ZINC000007540910 431354873 /nfs/dbraw/zinc/35/48/73/431354873.db2.gz URMYNGAXHBPSJY-CZUORRHYSA-N 1 0 301.386 3.269 40 0 DGABRO CCc1ccc(CCC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000010279374 431456124 /nfs/dbraw/zinc/45/61/24/431456124.db2.gz YAACJJIYLALQAG-UHFFFAOYSA-N 1 0 302.462 3.174 40 0 DGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(Cl)c2)C1 ZINC000010542848 431463235 /nfs/dbraw/zinc/46/32/35/431463235.db2.gz VAHGQBRGGDWMFM-ZIAGYGMSSA-N 1 0 308.853 3.438 40 0 DGABRO Cc1ccc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)o1 ZINC000012183908 431493196 /nfs/dbraw/zinc/49/31/96/431493196.db2.gz XYVZLTCOLOOOOA-CQSZACIVSA-N 1 0 312.369 3.333 40 0 DGABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1coc2cc(C)ccc12 ZINC000012362818 431503738 /nfs/dbraw/zinc/50/37/38/431503738.db2.gz UWIIJQYLHASQPQ-MRXNPFEDSA-N 1 0 314.429 3.274 40 0 DGABRO Cc1ccccc1C[NH+]1CCC(O)(c2cccnc2F)CC1 ZINC000013227662 431551393 /nfs/dbraw/zinc/55/13/93/431551393.db2.gz QMFRNRUIJRFUHM-UHFFFAOYSA-N 1 0 300.377 3.013 40 0 DGABRO CC[NH+](CC)CCNC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000027974644 431698374 /nfs/dbraw/zinc/69/83/74/431698374.db2.gz DNYXZVVLHIFFEE-HNNXBMFYSA-N 1 0 314.429 3.065 40 0 DGABRO COc1ccc(Cl)cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000028066399 431699966 /nfs/dbraw/zinc/69/99/66/431699966.db2.gz XYXWDVDYDNFPLZ-UHFFFAOYSA-N 1 0 324.852 3.200 40 0 DGABRO CC[NH+](CC)CCN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000033785335 431817504 /nfs/dbraw/zinc/81/75/04/431817504.db2.gz FMQNBVFRSGLEEX-UHFFFAOYSA-N 1 0 310.854 3.229 40 0 DGABRO COC(=O)c1cccc2nc([C@H]3CC[N@H+](CC(C)C)C3)oc21 ZINC000035446945 431829788 /nfs/dbraw/zinc/82/97/88/431829788.db2.gz ICCFVMJZRXYCJK-LBPRGKRZSA-N 1 0 302.374 3.060 40 0 biogenic,in-vitro DGABRO CC(C)c1ccc(CCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000036614028 431839146 /nfs/dbraw/zinc/83/91/46/431839146.db2.gz VQTMZYPGFBMIJF-GOSISDBHSA-N 1 0 300.446 3.049 40 0 DGABRO c1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)cc1 ZINC000096041786 431935807 /nfs/dbraw/zinc/93/58/07/431935807.db2.gz HHBZSQHXEYLFTR-XUVXKRRUSA-N 1 0 324.424 3.030 40 0 DGABRO c1ccc(C[N@H+]2C[C@@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)cc1 ZINC000096042510 431935813 /nfs/dbraw/zinc/93/58/13/431935813.db2.gz XMGSNNIKPYVWIA-AQNXPRMDSA-N 1 0 324.424 3.030 40 0 DGABRO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000096061323 431936116 /nfs/dbraw/zinc/93/61/16/431936116.db2.gz HUKMJPKQQPAFJX-GOSISDBHSA-N 1 0 324.424 3.260 40 0 DGABRO O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3ccsc3)[C@H]2C1 ZINC000096054183 431936394 /nfs/dbraw/zinc/93/63/94/431936394.db2.gz MEZKWMXYOFAEDW-CABCVRRESA-N 1 0 316.426 3.078 40 0 DGABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](CC(C)C)C3)o2)cc1 ZINC000049170121 431937022 /nfs/dbraw/zinc/93/70/22/431937022.db2.gz RBFHNYUKPILSKA-AWEZNQCLSA-N 1 0 301.390 3.191 40 0 biogenic,in-vitro DGABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccoc3)C[C@@H]12 ZINC000096058447 431937182 /nfs/dbraw/zinc/93/71/82/431937182.db2.gz PETNXQAXLXPEDC-WOJBJXKFSA-N 1 0 324.424 3.044 40 0 DGABRO Clc1ccc2oc([C@H]3CC[N@@H+](C4CCOCC4)C3)nc2c1 ZINC000049168826 431937329 /nfs/dbraw/zinc/93/73/29/431937329.db2.gz VFMRPZOBFXIRIN-NSHDSACASA-N 1 0 306.793 3.450 40 0 biogenic,in-vitro DGABRO CO[C@@H]1CC[N@H+](Cc2csc(C)n2)[C@H]1Cc1ccccc1 ZINC000096087459 431938170 /nfs/dbraw/zinc/93/81/70/431938170.db2.gz VBUDCLWOTOUNPD-DLBZAZTESA-N 1 0 302.443 3.284 40 0 DGABRO Cc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccccc2)COC1 ZINC000096112805 431938729 /nfs/dbraw/zinc/93/87/29/431938729.db2.gz FRKJCFIZGWPNKC-INIZCTEOSA-N 1 0 307.397 3.206 40 0 biogenic,in-vitro DGABRO c1cc(CO[C@@H]2COC3(C2)CC[NH+](CC2CCC2)CC3)ccn1 ZINC000096106859 431938912 /nfs/dbraw/zinc/93/89/12/431938912.db2.gz CJVBHSZOGROLEA-SFHVURJKSA-N 1 0 316.445 3.022 40 0 DGABRO CCOC[C@H]1COCCC12CC[NH+](Cc1ccsc1)CC2 ZINC000096106387 431939037 /nfs/dbraw/zinc/93/90/37/431939037.db2.gz RVVUWPGITWPXHT-INIZCTEOSA-N 1 0 309.475 3.403 40 0 DGABRO CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000096158424 431940482 /nfs/dbraw/zinc/94/04/82/431940482.db2.gz PTQHWZCLABBJLG-UHFFFAOYSA-N 1 0 300.446 3.220 40 0 DGABRO COC[C@H]1CN(Cc2ccsc2)Cc2c1cnn2CC1CC1 ZINC000096197916 431941325 /nfs/dbraw/zinc/94/13/25/431941325.db2.gz ODOXGGJTSFGEKH-OAHLLOKOSA-N 1 0 317.458 3.100 40 0 DGABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C)c(C)c1)CC2 ZINC000096220610 431942117 /nfs/dbraw/zinc/94/21/17/431942117.db2.gz VXFUECPDVJHANP-SFHVURJKSA-N 1 0 303.446 3.463 40 0 DGABRO c1cncc(C[NH+]2CCC3(C[C@@H](c4cccnc4)CO3)CC2)c1 ZINC000096220297 431942380 /nfs/dbraw/zinc/94/23/80/431942380.db2.gz WMLXJARNVGMSQI-GOSISDBHSA-N 1 0 309.413 3.015 40 0 DGABRO CCO[C@H]1CC2(CC[NH+]([C@@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241673 431942475 /nfs/dbraw/zinc/94/24/75/431942475.db2.gz ZRJQGKGCUGUYHW-QAPCUYQASA-N 1 0 319.420 3.430 40 0 DGABRO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(C)C)C3)c(C)o1 ZINC000096215284 431942788 /nfs/dbraw/zinc/94/27/88/431942788.db2.gz BGUCKWGITLXTNO-IBGZPJMESA-N 1 0 318.461 3.481 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCN(CC4CC4)[C@H]3CC2)s1 ZINC000096249305 431944069 /nfs/dbraw/zinc/94/40/69/431944069.db2.gz BIMIPXCXRUOKAD-ZWKOTPCHSA-N 1 0 320.502 3.132 40 0 DGABRO c1cc(C[N@@H+]2CCc3ncnc(-c4ccsc4)c3CC2)co1 ZINC000096255335 431944166 /nfs/dbraw/zinc/94/41/66/431944166.db2.gz UQJNXSPTXYWXSF-UHFFFAOYSA-N 1 0 311.410 3.399 40 0 DGABRO CC[C@H]([C@@H]([NH3+])c1ccc(-c2ccccc2)cc1)S(C)(=O)=O ZINC000096524870 431955780 /nfs/dbraw/zinc/95/57/80/431955780.db2.gz CQIYIBYSVHLNNL-SJORKVTESA-N 1 0 303.427 3.177 40 0 DGABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)c2ccccc2)c2ccccn2)CC1 ZINC000100750001 431982453 /nfs/dbraw/zinc/98/24/53/431982453.db2.gz VCCBWXJLVRBABR-FCEWJHQRSA-N 1 0 323.440 3.318 40 0 DGABRO C=Cn1ncc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1C ZINC000057811015 431993517 /nfs/dbraw/zinc/99/35/17/431993517.db2.gz JWQPQGWTVLYFQU-LJQANCHMSA-N 1 0 311.429 3.473 40 0 DGABRO C=Cn1ncc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1C ZINC000057811012 431993907 /nfs/dbraw/zinc/99/39/07/431993907.db2.gz JWQPQGWTVLYFQU-IBGZPJMESA-N 1 0 311.429 3.473 40 0 DGABRO C[NH+](C)C[C@@H]1CN(Cc2cccc3ccccc32)Cc2cncn21 ZINC000248081370 432265356 /nfs/dbraw/zinc/26/53/56/432265356.db2.gz CUNAQEVDGTTZJE-LJQANCHMSA-N 1 0 320.440 3.155 40 0 DGABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)n1 ZINC000257220432 432418796 /nfs/dbraw/zinc/41/87/96/432418796.db2.gz DKVCBFCYIGTKKN-QGZVFWFLSA-N 1 0 310.445 3.308 40 0 DGABRO Cc1ncc(-c2ccc(C[C@@H]3CCC[N@@H+](C(C)C)C3)cn2)n1C ZINC000257208864 432419276 /nfs/dbraw/zinc/41/92/76/432419276.db2.gz BNVXCGBKYCPMJI-KRWDZBQOSA-N 1 0 312.461 3.453 40 0 DGABRO Cc1nc(Nc2cc(C)nc([C@@H]3CCC[N@@H+](C)C3)n2)sc1C ZINC000257236001 432420076 /nfs/dbraw/zinc/42/00/76/432420076.db2.gz HAKSHNVEUZPTND-CYBMUJFWSA-N 1 0 317.462 3.411 40 0 DGABRO c1cc2cc(C[C@H]3CCC[N@H+](Cc4ccccn4)C3)cnc2[nH]1 ZINC000257229247 432420634 /nfs/dbraw/zinc/42/06/34/432420634.db2.gz FXIMSKPXDLLUDD-OAHLLOKOSA-N 1 0 306.413 3.413 40 0 DGABRO COc1cccc(F)c1C[N@@H+]1CC[C@H](c2nc(C)cc(C)n2)C1 ZINC000257242515 432422598 /nfs/dbraw/zinc/42/25/98/432422598.db2.gz ICWXSMLTVGHYPI-AWEZNQCLSA-N 1 0 315.392 3.231 40 0 DGABRO CCN(C(C)=O)[C@H]1C[N@H+](Cc2cccnc2)C2(C1)CCCCC2 ZINC000257243756 432422639 /nfs/dbraw/zinc/42/26/39/432422639.db2.gz IIKYOQSABPSVMT-GOSISDBHSA-N 1 0 315.461 3.227 40 0 DGABRO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)nc1 ZINC000257243030 432423231 /nfs/dbraw/zinc/42/32/31/432423231.db2.gz IFFWCYVVIHHIMY-IBGZPJMESA-N 1 0 309.413 3.055 40 0 DGABRO Cc1cccc2[nH]c(C(=O)N3CCC[C@]4(C)[NH2+]CCC[C@@H]34)cc21 ZINC000257286225 432424343 /nfs/dbraw/zinc/42/43/43/432424343.db2.gz PKUBUVFIXMYOQW-MJGOQNOKSA-N 1 0 311.429 3.223 40 0 DGABRO CCN1CCC([NH+]2CCC(Cc3ccnc(C)c3)CC2)CC1 ZINC000257271657 432425231 /nfs/dbraw/zinc/42/52/31/432425231.db2.gz MZFPRHLOKTZOCX-UHFFFAOYSA-N 1 0 301.478 3.129 40 0 DGABRO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[NH2+]2)n1 ZINC000257270200 432425645 /nfs/dbraw/zinc/42/56/45/432425645.db2.gz MTDKAVQFMPELQA-HNNXBMFYSA-N 1 0 300.381 3.163 40 0 DGABRO Cc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nc1 ZINC000225731666 432695813 /nfs/dbraw/zinc/69/58/13/432695813.db2.gz CGDXDCJXESHFJS-GASCZTMLSA-N 1 0 320.506 3.044 40 0 DGABRO Fc1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1F ZINC000225410356 432689071 /nfs/dbraw/zinc/68/90/71/432689071.db2.gz YYELWYLNXXUMDK-UHFFFAOYSA-N 1 0 313.417 3.127 40 0 DGABRO C[NH+](C)CCC[C@]1(O)c2ccccc2C=Cc2ccc(O)cc21 ZINC000065742942 289119157 /nfs/dbraw/zinc/11/91/57/289119157.db2.gz LVSOPRLYYPOIMB-FQEVSTJZSA-N 1 0 309.409 3.454 40 0 in-vitro DGABRO Cc1ccccc1CNc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328966514 434336210 /nfs/dbraw/zinc/33/62/10/434336210.db2.gz CMEORSXOXUUHJZ-UHFFFAOYSA-N 1 0 322.456 3.473 40 0 DGABRO CC[C@@H](C)Nc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C)[nH+]1 ZINC000329027133 434346488 /nfs/dbraw/zinc/34/64/88/434346488.db2.gz PRDKYBMDJMGRDR-HIFRSBDPSA-N 1 0 310.445 3.947 40 0 DGABRO CNc1nc(N2CCc3cc(Cl)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329068028 434354881 /nfs/dbraw/zinc/35/48/81/434354881.db2.gz YMSURVFJUBPIAT-UHFFFAOYSA-N 1 0 314.820 3.612 40 0 DGABRO CCNc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C(C)C)[nH+]1 ZINC000329068315 434355661 /nfs/dbraw/zinc/35/56/61/434355661.db2.gz YPGDWAIAMQWFPV-AWEZNQCLSA-N 1 0 310.445 3.983 40 0 DGABRO COc1ccc([C@H](c2ccc(Cl)cc2)N2CC[NH2+]CC2)cc1 ZINC000019366602 295246914 /nfs/dbraw/zinc/24/69/14/295246914.db2.gz WQYALBMWJNGHIB-SFHVURJKSA-N 1 0 316.832 3.343 40 0 DGABRO O=c1cc(C[NH+](Cc2ccccc2)Cc2ccccc2)[nH]c(=O)[nH]1 ZINC000408731459 434591798 /nfs/dbraw/zinc/59/17/98/434591798.db2.gz MUIJHNJTCLFJAD-UHFFFAOYSA-N 1 0 321.380 3.090 40 0 DGABRO c1ccc(C[NH+](CCN2CCOCC2)Cc2ccccc2)cc1 ZINC000019364706 304854486 /nfs/dbraw/zinc/85/44/86/304854486.db2.gz FEEPJMLQGPOUQI-UHFFFAOYSA-N 1 0 310.441 3.021 40 0 DGABRO CC(C)C[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2cncs2)CC1 ZINC000585100033 547024994 /nfs/dbraw/zinc/02/49/94/547024994.db2.gz CTLKWYFZWMQMCP-QGZVFWFLSA-N 1 0 321.490 3.146 40 0 DGABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cc(F)ccc1F)CC2 ZINC000585100736 547025137 /nfs/dbraw/zinc/02/51/37/547025137.db2.gz VAPUXJDPQJEBOS-GOSISDBHSA-N 1 0 322.399 3.332 40 0 DGABRO Fc1cc(F)cc(C[NH2+]Cc2ccnn2CC(F)(F)F)c1 ZINC000256052777 575207636 /nfs/dbraw/zinc/20/76/36/575207636.db2.gz OPXSOGNQVXALRE-UHFFFAOYSA-N 1 0 305.250 3.013 40 0 DGABRO [NH3+][C@@H]1C[C@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc21 ZINC000261637907 656938238 /nfs/dbraw/zinc/93/82/38/656938238.db2.gz HYZZGQJOAHUDLM-MOPGFXCFSA-N 1 0 321.424 3.048 40 0 DGABRO CC[NH+](CC)CC(=O)Nc1nc(C)c(-c2ccccc2)s1 ZINC000047080605 657422841 /nfs/dbraw/zinc/42/28/41/657422841.db2.gz ISCVJALAVAXARV-UHFFFAOYSA-N 1 0 303.431 3.399 40 0 DGABRO c1coc(CNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329012070 231413889 /nfs/dbraw/zinc/41/38/89/231413889.db2.gz MIKMUOVRTPHRIR-UHFFFAOYSA-N 1 0 312.417 3.148 40 0 DGABRO COc1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000067800483 190722084 /nfs/dbraw/zinc/72/20/84/190722084.db2.gz QOWULEZIYCNQTC-UHFFFAOYSA-N 1 0 320.433 3.184 40 0 DGABRO COCO[C@H]1CCCN(c2ccccc2[C@H]([NH3+])CC(C)C)C1 ZINC000065743342 432012963 /nfs/dbraw/zinc/01/29/63/432012963.db2.gz HVWGQJMMDGGTPN-DOTOQJQBSA-N 1 0 306.450 3.322 40 0 in-vitro DGABRO CCCn1c2ccccc2nc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000072324676 191123599 /nfs/dbraw/zinc/12/35/99/191123599.db2.gz XIXUFCARCVYXMU-HZPDHXFCSA-N 1 0 312.461 3.115 40 0 DGABRO COCC[NH+]1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 ZINC000072359355 191129810 /nfs/dbraw/zinc/12/98/10/191129810.db2.gz IIPAJTRFMAVVFE-UHFFFAOYSA-N 1 0 315.392 3.109 40 0 DGABRO CN(C)C(=O)c1cccc([C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000072355750 191130126 /nfs/dbraw/zinc/13/01/26/191130126.db2.gz MWVFLPAISRXEKF-KRWDZBQOSA-N 1 0 301.434 3.253 40 0 DGABRO Cc1nc(NCc2ccccc2F)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072365044 191134490 /nfs/dbraw/zinc/13/44/90/191134490.db2.gz ATZPHBPQHMYPRH-AWEZNQCLSA-N 1 0 300.381 3.003 40 0 DGABRO CCc1nnc(Nc2cccc(C3CC[NH+](C)CC3)n2)s1 ZINC000072376124 191139629 /nfs/dbraw/zinc/13/96/29/191139629.db2.gz AKZVDPCOJMNEHB-UHFFFAOYSA-N 1 0 303.435 3.048 40 0 DGABRO c1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000072389884 191148657 /nfs/dbraw/zinc/14/86/57/191148657.db2.gz DYZBXRBNBWHJHW-MRXNPFEDSA-N 1 0 306.369 3.121 40 0 DGABRO C[C@H]1CCC[N@@H+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000001701693 180889731 /nfs/dbraw/zinc/88/97/31/180889731.db2.gz VPNANHREENRPSZ-KRWDZBQOSA-N 1 0 322.452 3.332 40 0 DGABRO Fc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)cc1 ZINC000107731387 432038709 /nfs/dbraw/zinc/03/87/09/432038709.db2.gz XFUMQKSJHUFULB-MSOLQXFVSA-N 1 0 315.392 3.018 40 0 DGABRO CC(C)[NH2+]C[C@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000004530112 181120433 /nfs/dbraw/zinc/12/04/33/181120433.db2.gz AZXWHABBGVWNIN-IBGZPJMESA-N 1 0 313.441 3.194 40 0 DGABRO CC(C)[NH2+]C[C@@H](O)COc1ccccc1[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000004626622 181130757 /nfs/dbraw/zinc/13/07/57/181130757.db2.gz NACJSVRGPPMZRS-HPFXQQBRSA-N 1 0 303.446 3.328 40 0 in-man DGABRO CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006168819 181317144 /nfs/dbraw/zinc/31/71/44/181317144.db2.gz KQHXNKOGBMJFGW-LJQANCHMSA-N 1 0 311.425 3.047 40 0 DGABRO C[C@@H]([NH+]1CCN(C)CC1)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000019365818 296030979 /nfs/dbraw/zinc/03/09/79/296030979.db2.gz WEMKXTZKYQLYKL-XLIONFOSSA-N 1 0 316.489 3.090 40 0 DGABRO CC[C@@H](OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000006356117 181333912 /nfs/dbraw/zinc/33/39/12/181333912.db2.gz NKYWMAGCRMHOMJ-OGWHTMIXSA-N 1 0 305.462 3.493 40 0 DGABRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000013747215 291272349 /nfs/dbraw/zinc/27/23/49/291272349.db2.gz JUKMAYKVHWKRKY-STQMWFEESA-N 1 0 302.201 3.392 40 0 DGABRO CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@@]2(CC[NH2+]C2)C1 ZINC000091303092 193035395 /nfs/dbraw/zinc/03/53/95/193035395.db2.gz SZRJUSMARDPBID-CRAIPNDOSA-N 1 0 302.418 3.001 40 0 DGABRO CNc1cc(C)[nH+]c([C@@H]2CCN(Cc3csc(C)n3)C2)c1 ZINC000257302097 203027171 /nfs/dbraw/zinc/02/71/71/203027171.db2.gz SBNNGSQLXPDMTR-CYBMUJFWSA-N 1 0 302.447 3.186 40 0 DGABRO Cc1c[nH]c([C@H]2CC[N@H+](CCCOc3ccccc3F)C2)n1 ZINC000257307669 203032041 /nfs/dbraw/zinc/03/20/41/203032041.db2.gz SZTHSSLLQWEVSI-AWEZNQCLSA-N 1 0 303.381 3.116 40 0 DGABRO c1cc(C[C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)n[nH]1 ZINC000257281898 203010826 /nfs/dbraw/zinc/01/08/26/203010826.db2.gz ORJZYULNGGUPRK-OAHLLOKOSA-N 1 0 306.413 3.413 40 0 DGABRO c1ccc(O[C@@H]2C[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]3C2)cc1 ZINC000257281381 203010955 /nfs/dbraw/zinc/01/09/55/203010955.db2.gz OOXWTEJFZNMNRF-DZFIZOCASA-N 1 0 301.430 3.202 40 0 DGABRO c1cnc(C[C@H]2CC3(CO2)CC[NH+](C2CCCCC2)CC3)cn1 ZINC000257315122 203038908 /nfs/dbraw/zinc/03/89/08/203038908.db2.gz UZZIIDMMLYOOEH-SFHVURJKSA-N 1 0 315.461 3.223 40 0 DGABRO Cc1ncc(C[N@@H+]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)cn1 ZINC000257320452 203045423 /nfs/dbraw/zinc/04/54/23/203045423.db2.gz VWWZDTLWKMJFSE-PMOLBWCYSA-N 1 0 323.440 3.212 40 0 DGABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cnccn3)C2)c2ccccc21 ZINC000257322232 203047978 /nfs/dbraw/zinc/04/79/78/203047978.db2.gz WFCVVTNJFSGPKA-HNNXBMFYSA-N 1 0 306.413 3.348 40 0 DGABRO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2C)nc1 ZINC000257324367 203049098 /nfs/dbraw/zinc/04/90/98/203049098.db2.gz WOJZLCIQQZGACZ-HXUWFJFHSA-N 1 0 323.440 3.363 40 0 DGABRO CCCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000007261305 181450226 /nfs/dbraw/zinc/45/02/26/181450226.db2.gz IVKAOHQAJWLRSB-UHFFFAOYSA-N 1 0 306.450 3.260 40 0 DGABRO Cc1nc(CO[C@@H]2CC[NH2+]C[C@@H]2Cc2cccc(C)c2)cs1 ZINC000096218874 193587815 /nfs/dbraw/zinc/58/78/15/193587815.db2.gz WNPMPUQORHIOTH-FUHWJXTLSA-N 1 0 316.470 3.497 40 0 DGABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@@H](O)Cn1cc(C=O)c2ccccc21 ZINC000011612377 181695197 /nfs/dbraw/zinc/69/51/97/181695197.db2.gz OHTDILXTEPRBOP-ZOBUZTSGSA-N 1 0 314.429 3.078 40 0 DGABRO Cn1nc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019289493 182112582 /nfs/dbraw/zinc/11/25/82/182112582.db2.gz PMXFPJSMHSGDCN-HNNXBMFYSA-N 1 0 324.403 3.487 40 0 DGABRO CC(C)(C)c1noc([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000019084620 182104579 /nfs/dbraw/zinc/10/45/79/182104579.db2.gz LDFRYVYRYLQATE-ZDUSSCGKSA-N 1 0 303.381 3.496 40 0 DGABRO CCCn1ncc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)c1C ZINC000019525964 182128304 /nfs/dbraw/zinc/12/83/04/182128304.db2.gz PPVCNWFGBIZOFA-MAUKXSAKSA-N 1 0 316.449 3.399 40 0 DGABRO CN(C)c1ncc(C[NH2+][C@@H]2[C@@H]3CCC[C@H]3[C@H]2c2ccccc2)cn1 ZINC000019585568 182132180 /nfs/dbraw/zinc/13/21/80/182132180.db2.gz NISXXCWSZBUJAB-NCXUSEDFSA-N 1 0 322.456 3.215 40 0 DGABRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019894294 182161782 /nfs/dbraw/zinc/16/17/82/182161782.db2.gz MSESIUBTKMXMTG-UHFFFAOYSA-N 1 0 308.397 3.315 40 0 DGABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCC[NH+](C)C ZINC000020106476 182186693 /nfs/dbraw/zinc/18/66/93/182186693.db2.gz MZMATRXSGDWBEY-QGZVFWFLSA-N 1 0 314.429 3.065 40 0 DGABRO O=C(CC1=NCC[NH2+][C@H](c2ccccc2)C1)c1ccccc1O ZINC000100638377 193802437 /nfs/dbraw/zinc/80/24/37/193802437.db2.gz KEQSOUMJJLVRRL-KRWDZBQOSA-N 1 0 308.381 3.141 40 0 DGABRO Cc1cc[nH+]c(NCC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000040434844 183066723 /nfs/dbraw/zinc/06/67/23/183066723.db2.gz FZOKXFGFBYXZRT-UHFFFAOYSA-N 1 0 305.422 3.449 40 0 DGABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccccn1)Cc1cccc(C)n1 ZINC000019527160 285283680 /nfs/dbraw/zinc/28/36/80/285283680.db2.gz ZOWGRWZPCTZBBJ-FQEVSTJZSA-N 1 0 324.472 3.272 40 0 DGABRO 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Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)[N+](=O)C2 ZINC000001567273 431229776 /nfs/dbraw/zinc/22/97/76/431229776.db2.gz WHYAIKHHRCPZBI-UHFFFAOYSA-N 1 0 324.771 3.090 40 0 in-vitro DGABRO C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)cc1 ZINC000001755784 431239138 /nfs/dbraw/zinc/23/91/38/431239138.db2.gz WGROVKAXOVJYGJ-UHFFFAOYSA-O 1 0 319.388 3.089 40 0 DGABRO Cc1c2sc(-c3ccccc3)c([O-])[n+]2c2ccccc2[n+]1C ZINC000003078710 431282484 /nfs/dbraw/zinc/28/24/84/431282484.db2.gz DOMPNHURFCIGKV-UHFFFAOYSA-O 1 0 308.406 3.146 40 0 DGABRO c1ccc2c(c1)[nH]c1c2CCN2[C@@H]3CC[C@@H]([C@@H]4[NH2+]CCC[C@H]34)[C@H]12 ZINC000004364818 431301936 /nfs/dbraw/zinc/30/19/36/431301936.db2.gz SBGPASZOVGSOFJ-XXECKMAJSA-N 1 0 307.441 3.228 40 0 DGABRO CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000008326393 431393974 /nfs/dbraw/zinc/39/39/74/431393974.db2.gz DHOBTIHPTGHNRS-KRWDZBQOSA-N 1 0 315.413 3.135 40 0 DGABRO C[NH+](C)CCCNCc1cccc(OCc2ccccc2F)c1 ZINC000008373893 431396629 /nfs/dbraw/zinc/39/66/29/431396629.db2.gz RUTCQVGFICARDS-UHFFFAOYSA-N 1 0 316.420 3.446 40 0 DGABRO C[N@@H+]1CCC[C@H](CNC(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000009876414 431447707 /nfs/dbraw/zinc/44/77/07/431447707.db2.gz JENDQUDNNUZUJU-SNVBAGLBSA-N 1 0 315.845 3.107 40 0 DGABRO CCc1ccc(CCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000010325036 431460915 /nfs/dbraw/zinc/46/09/15/431460915.db2.gz KVVCZLHMHPMTJO-UHFFFAOYSA-N 1 0 302.462 3.174 40 0 DGABRO O=C(NCCC[NH+]1CCCC1)/C(=C/c1ccco1)c1ccccc1 ZINC000010450019 431463894 /nfs/dbraw/zinc/46/38/94/431463894.db2.gz XZBRQOJERWORFX-KNTRCKAVSA-N 1 0 324.424 3.422 40 0 DGABRO COc1cccc(CC[NH2+]Cc2cc3cccc(C)c3[nH]c2=O)c1 ZINC000013998787 431575562 /nfs/dbraw/zinc/57/55/62/431575562.db2.gz SKZYRNZYYUYWMQ-UHFFFAOYSA-N 1 0 322.408 3.177 40 0 DGABRO O=C1N[C@]2(CC[N@H+](CC3CCCCC3)C2)CCc2ccccc21 ZINC000019375225 431617913 /nfs/dbraw/zinc/61/79/13/431617913.db2.gz WJROMKHAXIPRGI-FQEVSTJZSA-N 1 0 312.457 3.387 40 0 DGABRO Cc1ccc(CN2Cc3ccccc3O[C@H](C[NH+](C)C)C2)s1 ZINC000019217267 431620255 /nfs/dbraw/zinc/62/02/55/431620255.db2.gz UKDQIXUBWZPZHY-MRXNPFEDSA-N 1 0 316.470 3.381 40 0 DGABRO Clc1cccc(Cl)c1N(C1=[NH+]CCN1)[C@@H]1CCCCO1 ZINC000031297748 431755818 /nfs/dbraw/zinc/75/58/18/431755818.db2.gz NYQGJEQCYOJBPV-LBPRGKRZSA-N 1 0 314.216 3.286 40 0 in-man DGABRO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OC1CCCC1 ZINC000032202088 431774661 /nfs/dbraw/zinc/77/46/61/431774661.db2.gz DXTAZDHFELFANZ-INIZCTEOSA-N 1 0 305.418 3.285 40 0 DGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000037817583 431850935 /nfs/dbraw/zinc/85/09/35/431850935.db2.gz RTEHEZBDECOBGP-AWEZNQCLSA-N 1 0 315.244 3.468 40 0 DGABRO Cc1ccccc1NC(=S)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000035312301 431831179 /nfs/dbraw/zinc/83/11/79/431831179.db2.gz JOXUZUWMIXVXQJ-VHRNVKJDSA-N 1 0 315.486 3.439 40 0 DGABRO C[C@H]1CCC[N@H+](CCCNC(=O)Cc2ccccc2Cl)C1 ZINC000046961513 431904074 /nfs/dbraw/zinc/90/40/74/431904074.db2.gz RPDAYYMXQPAVOI-AWEZNQCLSA-N 1 0 308.853 3.121 40 0 DGABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000096047502 431935332 /nfs/dbraw/zinc/93/53/32/431935332.db2.gz PIWSGRUGPRICNF-LJQANCHMSA-N 1 0 316.445 3.062 40 0 DGABRO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)o1 ZINC000096053861 431936147 /nfs/dbraw/zinc/93/61/47/431936147.db2.gz BJPPALGUHJGSHI-CALCHBBNSA-N 1 0 314.404 3.291 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)o1 ZINC000096056412 431936220 /nfs/dbraw/zinc/93/62/20/431936220.db2.gz MQPCQSXKHGDXIW-KZNAEPCWSA-N 1 0 305.418 3.137 40 0 DGABRO c1csc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3O2)n1 ZINC000096070672 431936431 /nfs/dbraw/zinc/93/64/31/431936431.db2.gz YQRQIYQQSMDRJZ-HRCADAONSA-N 1 0 300.427 3.495 40 0 DGABRO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)s1 ZINC000096053732 431936499 /nfs/dbraw/zinc/93/64/99/431936499.db2.gz JYSXYYBSSDLCQK-CALCHBBNSA-N 1 0 313.470 3.015 40 0 DGABRO Fc1ccc(-c2ncnc3c2CC[N@H+](Cc2ccco2)CC3)cc1 ZINC000096058696 431936900 /nfs/dbraw/zinc/93/69/00/431936900.db2.gz SLCSMOPOOVVPNY-UHFFFAOYSA-N 1 0 323.371 3.477 40 0 DGABRO CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096056800 431936955 /nfs/dbraw/zinc/93/69/55/431936955.db2.gz HGJXULPVWFKQRR-RTBURBONSA-N 1 0 319.445 3.103 40 0 DGABRO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1ccco1)C2 ZINC000096100314 431937636 /nfs/dbraw/zinc/93/76/36/431937636.db2.gz WIJYZUKIJMIWGV-FQEVSTJZSA-N 1 0 322.408 3.180 40 0 DGABRO C[NH+](C)[C@@H]1CC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21 ZINC000096079191 431937662 /nfs/dbraw/zinc/93/76/62/431937662.db2.gz JLPIOWKDMCVGBL-GOSISDBHSA-N 1 0 323.440 3.195 40 0 DGABRO c1ccc(O[C@@H]2COC3(C2)CC[NH+](Cc2ccccn2)CC3)cc1 ZINC000096073189 431938114 /nfs/dbraw/zinc/93/81/14/431938114.db2.gz CPIPEMMBHWFQAW-IBGZPJMESA-N 1 0 324.424 3.284 40 0 DGABRO c1ccc(CC[NH+]2CCC3(C[C@@H](c4cncnc4)CO3)CC2)cc1 ZINC000096073015 431938187 /nfs/dbraw/zinc/93/81/87/431938187.db2.gz UPTCYPWIXGRCIM-GOSISDBHSA-N 1 0 323.440 3.058 40 0 DGABRO c1csc(C[N@H+]2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c1 ZINC000096107245 431938455 /nfs/dbraw/zinc/93/84/55/431938455.db2.gz HTDNSBDZVMJHSC-WBVHZDCISA-N 1 0 307.459 3.298 40 0 DGABRO CCOC[C@H]1COCCC12CC[NH+](Cc1cccs1)CC2 ZINC000096106385 431938648 /nfs/dbraw/zinc/93/86/48/431938648.db2.gz XTXDRHDQIXZYLZ-HNNXBMFYSA-N 1 0 309.475 3.403 40 0 DGABRO CO[C@H]1CC[N@H+](Cc2nccs2)C[C@@H]1Cc1ccccc1 ZINC000096111183 431938803 /nfs/dbraw/zinc/93/88/03/431938803.db2.gz XPPWZDFPNOPESY-HOTGVXAUSA-N 1 0 302.443 3.223 40 0 DGABRO COC[C@@H]1COCCC12CC[NH+](Cc1ccccc1F)CC2 ZINC000096106314 431939209 /nfs/dbraw/zinc/93/92/09/431939209.db2.gz QWQSPCGYEGBALI-MRXNPFEDSA-N 1 0 307.409 3.091 40 0 DGABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccoc3)CC2)N1CC1CC1 ZINC000096217931 431942356 /nfs/dbraw/zinc/94/23/56/431942356.db2.gz IYTFSWPVZVUGND-GOSISDBHSA-N 1 0 302.418 3.037 40 0 DGABRO c1cc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)cs1 ZINC000096255308 431943735 /nfs/dbraw/zinc/94/37/35/431943735.db2.gz ISMJBOWBIIPNFD-UHFFFAOYSA-N 1 0 322.437 3.201 40 0 DGABRO CN1CC2(CC[NH+](Cc3cccnc3)CC2)c2cccc(F)c21 ZINC000096261777 431944022 /nfs/dbraw/zinc/94/40/22/431944022.db2.gz ZJUYNVWTVHAINT-UHFFFAOYSA-N 1 0 311.404 3.204 40 0 DGABRO [NH3+]C1CCN(c2cc(-c3ccc(F)cc3)nc(C3CC3)n2)CC1 ZINC000096516966 431954466 /nfs/dbraw/zinc/95/44/66/431954466.db2.gz XNYUKOMNCHLROX-UHFFFAOYSA-N 1 0 312.392 3.088 40 0 DGABRO CCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000096524822 431955244 /nfs/dbraw/zinc/95/52/44/431955244.db2.gz ONHRJNJEAOITIJ-CXAGYDPISA-N 1 0 303.427 3.177 40 0 DGABRO Cc1cc(-c2nccn2C)nc([C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000257210107 432417742 /nfs/dbraw/zinc/41/77/42/432417742.db2.gz BTERBNZXRUTMQH-OAHLLOKOSA-N 1 0 313.449 3.021 40 0 DGABRO COc1cc(C[N@@H+]2CC[C@@H](c3nc(C)cc(C)n3)C2)ccc1F ZINC000257213278 432417785 /nfs/dbraw/zinc/41/77/85/432417785.db2.gz CGWANIXBKDOJHL-OAHLLOKOSA-N 1 0 315.392 3.231 40 0 DGABRO c1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000257224644 432420227 /nfs/dbraw/zinc/42/02/27/432420227.db2.gz FCRRTEXNRXDKBA-CQSZACIVSA-N 1 0 311.433 3.379 40 0 DGABRO CO[C@@H]1CCCOC12CC[NH+](Cc1cccc(F)c1F)CC2 ZINC000257229974 432421408 /nfs/dbraw/zinc/42/14/08/432421408.db2.gz GAENWVHYRBCMOH-OAHLLOKOSA-N 1 0 311.372 3.125 40 0 DGABRO COc1cccc(F)c1C[NH+]1CCC(c2cncc(C)n2)CC1 ZINC000257237832 432421433 /nfs/dbraw/zinc/42/14/33/432421433.db2.gz HIJHYGQEVKPICT-UHFFFAOYSA-N 1 0 315.392 3.312 40 0 DGABRO c1ccc(CO[C@H]2C[N@H+](Cc3ccccn3)C[C@@]23CCCO3)cc1 ZINC000257247885 432421865 /nfs/dbraw/zinc/42/18/65/432421865.db2.gz JAZUGMLHTLPJJO-PMACEKPBSA-N 1 0 324.424 3.032 40 0 DGABRO CCCCc1ncc(C[N@@H+]2CCC[C@H](Cc3n[nH]cc3C)C2)[nH]1 ZINC000257248280 432422538 /nfs/dbraw/zinc/42/25/38/432422538.db2.gz JCXXSRYKNSZKKX-OAHLLOKOSA-N 1 0 315.465 3.239 40 0 DGABRO c1ccc2c(C[NH+]3CCC(c4cnccn4)CC3)ccnc2c1 ZINC000257255468 432422655 /nfs/dbraw/zinc/42/26/55/432422655.db2.gz KHPFTRMUNIHQHL-UHFFFAOYSA-N 1 0 304.397 3.404 40 0 DGABRO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257239876 432422811 /nfs/dbraw/zinc/42/28/11/432422811.db2.gz HRERDMDWGFNDGW-INIZCTEOSA-N 1 0 319.412 3.246 40 0 DGABRO Cc1cccnc1C[N@@H+]1CCCC[C@H]1c1ccn2ccnc2n1 ZINC000257239995 432423217 /nfs/dbraw/zinc/42/32/17/432423217.db2.gz HRQWTMMOUQOVPB-KRWDZBQOSA-N 1 0 307.401 3.160 40 0 DGABRO C[N@H+](CCc1ccccc1)Cc1ccnc([C@@]2(C)CCCO2)n1 ZINC000257258807 432424188 /nfs/dbraw/zinc/42/41/88/432424188.db2.gz KVPPFZXIEQIPTK-LJQANCHMSA-N 1 0 311.429 3.177 40 0 DGABRO C[N@H+](CCc1ccccc1)Cc1ccnc([C@]2(C)CCCO2)n1 ZINC000257258806 432424219 /nfs/dbraw/zinc/42/42/19/432424219.db2.gz KVPPFZXIEQIPTK-IBGZPJMESA-N 1 0 311.429 3.177 40 0 DGABRO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000195575955 432628361 /nfs/dbraw/zinc/62/83/61/432628361.db2.gz PMRZOBMWZYNEMI-LMMKCTJWSA-N 1 0 307.478 3.496 40 0 DGABRO CCc1ccc(CC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000225515424 432692447 /nfs/dbraw/zinc/69/24/47/432692447.db2.gz FKUWYSSCESVLDA-UHFFFAOYSA-N 1 0 302.462 3.174 40 0 DGABRO CC[n+]1cc(Br)cc(-c2nc3cc(N)ccc3o2)c1 ZINC000226778064 432708256 /nfs/dbraw/zinc/70/82/56/432708256.db2.gz RFVAHTOCALTCLI-UHFFFAOYSA-N 1 0 319.182 3.147 40 0 DGABRO Cc1ccc(CC(=O)NCCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000223437494 432676784 /nfs/dbraw/zinc/67/67/84/432676784.db2.gz BAMXXUACZFXXON-UHFFFAOYSA-N 1 0 302.462 3.084 40 0 DGABRO O=C(CCc1ccc(Cl)cc1)NCCC[NH+]1CCCCC1 ZINC000225305491 432688242 /nfs/dbraw/zinc/68/82/42/432688242.db2.gz SXAVQINROQSITE-UHFFFAOYSA-N 1 0 308.853 3.265 40 0 DGABRO Fc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1 ZINC000225399236 432689037 /nfs/dbraw/zinc/68/90/37/432689037.db2.gz SNBBEMRZZKJQNE-UHFFFAOYSA-N 1 0 309.454 3.378 40 0 DGABRO CCc1cc(N2Cc3ccccc3C[C@@H]2C)nc(NC(C)C)[nH+]1 ZINC000328973602 434337533 /nfs/dbraw/zinc/33/75/33/434337533.db2.gz FASLGEGGTHTMNY-AWEZNQCLSA-N 1 0 310.445 3.811 40 0 DGABRO CC[C@H](C)Nc1nc(NCc2cccs2)cc(C2CC2)[nH+]1 ZINC000329019427 434342772 /nfs/dbraw/zinc/34/27/72/434342772.db2.gz NWVKWPVBYMBOEV-NSHDSACASA-N 1 0 302.447 3.082 40 0 DGABRO c1csc(CNc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329069348 434353381 /nfs/dbraw/zinc/35/33/81/434353381.db2.gz YWDXJXMFQWOKQV-UHFFFAOYSA-N 1 0 314.458 3.226 40 0 DGABRO O[C@@H]1C2CC[NH+](CC2)[C@H]1[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000005063911 304834384 /nfs/dbraw/zinc/83/43/84/304834384.db2.gz YDKJBGPGEVAPRN-HSALFYBXSA-N 1 0 311.400 3.413 40 0 DGABRO CCOc1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1 ZINC000007369652 331502229 /nfs/dbraw/zinc/50/22/29/331502229.db2.gz RMOJBDCBQRUFDA-UHFFFAOYSA-N 1 0 321.490 3.248 40 0 DGABRO CC[C@@H](C)Nc1nc(NCc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000328964613 529357688 /nfs/dbraw/zinc/35/76/88/529357688.db2.gz BXDFNRYGXLEBND-GFCCVEGCSA-N 1 0 314.408 3.159 40 0 DGABRO COCC[C@H]1Cn2cccc2C[N@H+](Cc2ccccc2F)C1 ZINC000585095323 547025370 /nfs/dbraw/zinc/02/53/70/547025370.db2.gz PSILUXCBMJUYOI-OAHLLOKOSA-N 1 0 302.393 3.296 40 0 DGABRO CCc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228937472 563914642 /nfs/dbraw/zinc/91/46/42/563914642.db2.gz FVWPKZXUPWNBTM-UHFFFAOYSA-N 1 0 322.416 3.057 40 0 DGABRO c1cn2c(cccc2C[NH+]2CCC(Oc3ccccc3)CC2)n1 ZINC000179728499 659939514 /nfs/dbraw/zinc/93/95/14/659939514.db2.gz NQNLHOUVNGORSV-UHFFFAOYSA-N 1 0 307.397 3.378 40 0 DGABRO CC(C)CC[N@@H+]1CCC[C@H](OCCc2noc(C3CC3)n2)C1 ZINC001772495016 1197720640 /nfs/dbraw/zinc/72/06/40/1197720640.db2.gz GZSJBKVDIODTFI-HNNXBMFYSA-N 1 0 307.438 3.017 40 0 DGABRO C[N@@H+]1CCC[C@@H]1[C@@H](O)c1c[nH]c2ccc(Br)cc21 ZINC000088283115 1197727314 /nfs/dbraw/zinc/72/73/14/1197727314.db2.gz HTOSGRDNJROXTF-KGLIPLIRSA-N 1 0 309.207 3.058 40 0 DGABRO Cc1cc(C)c(N2C(=O)C[C@@H]([NH2+]C3CCCCC3)C2=O)c(C)c1 ZINC000104731692 1199527395 /nfs/dbraw/zinc/52/73/95/1199527395.db2.gz SYEKRIPBDXEWNZ-MRXNPFEDSA-N 1 0 314.429 3.166 40 0 DGABRO Cc1nc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](C)C3)c2)oc1C ZINC000006500434 1087282895 /nfs/dbraw/zinc/28/28/95/1087282895.db2.gz OTWIXRCVXOCPEA-OAHLLOKOSA-N 1 0 313.401 3.239 40 0 DGABRO c1cc(C[N@@H+]2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@H]3C2)cs1 ZINC000306127464 231085129 /nfs/dbraw/zinc/08/51/29/231085129.db2.gz FZCZJOXRMGOYII-CVEARBPZSA-N 1 0 322.437 3.236 40 0 DGABRO COc1cc(Cl)cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1OC ZINC000072324748 191122593 /nfs/dbraw/zinc/12/25/93/191122593.db2.gz SXWZNVJUBWKOFT-IUODEOHRSA-N 1 0 324.852 3.026 40 0 DGABRO Cn1ccnc1C[N@@H+]1CC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000072368080 191137248 /nfs/dbraw/zinc/13/72/48/191137248.db2.gz ZCIJXXCAQOTLRW-INIZCTEOSA-N 1 0 306.413 3.033 40 0 DGABRO Fc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389902 191147641 /nfs/dbraw/zinc/14/76/41/191147641.db2.gz YGJZQWOLNDWXFI-OAHLLOKOSA-N 1 0 324.359 3.260 40 0 DGABRO O=C(C[NH+]1CCCCC1)NC(c1ccccc1)c1ccccc1 ZINC000003536891 181031594 /nfs/dbraw/zinc/03/15/94/181031594.db2.gz MNQQMTXYJKDJOE-UHFFFAOYSA-N 1 0 308.425 3.378 40 0 DGABRO Cc1noc(C)c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COC(C)C)C1 ZINC000107712808 432036770 /nfs/dbraw/zinc/03/67/70/432036770.db2.gz YIFJLDWXQHYNLK-ROUUACIJSA-N 1 0 322.449 3.088 40 0 DGABRO CC[C@]12CC[N@H+](CC3(O)CC3)[C@H](Cc3ccc(O)cc31)C2(C)C ZINC000003870315 181050966 /nfs/dbraw/zinc/05/09/66/181050966.db2.gz ZDXGFIXMPOUDFF-XLIONFOSSA-N 1 0 315.457 3.222 40 0 in-man DGABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(F)cc1)C2 ZINC000004388364 181105719 /nfs/dbraw/zinc/10/57/19/181105719.db2.gz IRSRFHBPJOAFHA-ALOPSCKCSA-N 1 0 304.409 3.351 40 0 DGABRO C[C@H]1C[NH2+]CCN1Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000067799439 432041525 /nfs/dbraw/zinc/04/15/25/432041525.db2.gz QKXBYOZSTDWNOD-VIFPVBQESA-N 1 0 308.731 3.032 40 0 DGABRO COc1ccc2[nH]cc([C@@H](O)C[NH+]3C[C@@H](C)C[C@H](C)C3)c2c1 ZINC000004871538 181167105 /nfs/dbraw/zinc/16/71/05/181167105.db2.gz CAPKXBVTQCWBKD-LXIYXOSZSA-N 1 0 302.418 3.188 40 0 DGABRO CC[NH+](CC)CCn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000005311548 181228512 /nfs/dbraw/zinc/22/85/12/181228512.db2.gz LSCJLRADBVRRPE-UHFFFAOYSA-N 1 0 321.424 3.405 40 0 DGABRO Cc1cc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1Cl ZINC000006008667 181305525 /nfs/dbraw/zinc/30/55/25/181305525.db2.gz ASCOOIJCINVEAP-VNHYZAJKSA-N 1 0 311.853 3.366 40 0 DGABRO COC(=O)c1cc(Cl)ccc1NC[C@H]([NH3+])c1ccccc1 ZINC000006385195 181336652 /nfs/dbraw/zinc/33/66/52/181336652.db2.gz ANXVXWZPNGQZLG-AWEZNQCLSA-N 1 0 304.777 3.239 40 0 DGABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000006455200 181342028 /nfs/dbraw/zinc/34/20/28/181342028.db2.gz BLXHPQHXJOYOKB-RKVPGOIHSA-N 1 0 303.446 3.178 40 0 DGABRO [NH3+]CCc1c2cccc(Br)c2[nH]c1-c1ccccn1 ZINC000006733569 181380109 /nfs/dbraw/zinc/38/01/09/181380109.db2.gz XUHOGDNJRBEBGF-UHFFFAOYSA-N 1 0 316.202 3.494 40 0 DGABRO Cc1cccc(NC(=S)NCCC[NH+]2CCC(C)CC2)c1 ZINC000007027249 181432529 /nfs/dbraw/zinc/43/25/29/181432529.db2.gz RKXGFOQJXURSOU-UHFFFAOYSA-N 1 0 305.491 3.403 40 0 DGABRO CC[N@@H+]1CC[C@@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 ZINC000257276282 203004738 /nfs/dbraw/zinc/00/47/38/203004738.db2.gz NTCJVWFUVOWCJK-GFCCVEGCSA-N 1 0 303.435 3.103 40 0 DGABRO Cc1c[nH]c(-c2cc(C)nc(CC3CC[NH+](C(C)C)CC3)n2)n1 ZINC000257305969 203030864 /nfs/dbraw/zinc/03/08/64/203030864.db2.gz SSHIJDPEFGRBAP-UHFFFAOYSA-N 1 0 313.449 3.146 40 0 DGABRO CNc1nc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)cn2cccc12 ZINC000257308426 203032371 /nfs/dbraw/zinc/03/23/71/203032371.db2.gz TWQWVMIWOGSXQM-MRXNPFEDSA-N 1 0 321.428 3.151 40 0 DGABRO O=C1CCC[C@]2(C[N@@H+](C3CCCCC3)C[C@H]2c2ccccc2)N1 ZINC000257291490 203017397 /nfs/dbraw/zinc/01/73/97/203017397.db2.gz QHDULVQITQCHMZ-AZUAARDMSA-N 1 0 312.457 3.457 40 0 DGABRO Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2c(C)nc3sccn23)C1 ZINC000257329080 203053242 /nfs/dbraw/zinc/05/32/42/203053242.db2.gz XIHZYIMTJFABDO-ZDUSSCGKSA-N 1 0 315.446 3.115 40 0 DGABRO CCc1nc(C)c(C[N@@H+]2CCC[C@H](c3ccnc(NC)c3)C2)[nH]1 ZINC000257329397 203053773 /nfs/dbraw/zinc/05/37/73/203053773.db2.gz XJVHALPHGWBKLC-HNNXBMFYSA-N 1 0 313.449 3.097 40 0 DGABRO CCCCn1cc(C[N@@H+]2CC[C@H](c3nc(C)c[nH]3)C2)c(C)n1 ZINC000257319568 203042956 /nfs/dbraw/zinc/04/29/56/203042956.db2.gz VTBLYJZVZMNPQI-HNNXBMFYSA-N 1 0 301.438 3.013 40 0 DGABRO Cc1cccc(C(=O)N2CCC[C@H]2c2ccc(C[NH+](C)C)cn2)c1 ZINC000257327095 203050505 /nfs/dbraw/zinc/05/05/05/203050505.db2.gz WZXFVRCNPKVCNO-IBGZPJMESA-N 1 0 323.440 3.429 40 0 DGABRO O=C(CC1CCC2(CC1)CC[NH+](CC1CC1)CC2)N1CC=CC1 ZINC000096075183 193524594 /nfs/dbraw/zinc/52/45/94/193524594.db2.gz IZTIXLADIQKMGU-UHFFFAOYSA-N 1 0 316.489 3.457 40 0 DGABRO CCC(=O)c1ccc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000016739465 182059577 /nfs/dbraw/zinc/05/95/77/182059577.db2.gz WKLGIIULCGMLEB-UXLLHSPISA-N 1 0 319.445 3.282 40 0 DGABRO Cc1cc(C)cc(NC(=S)NCCC[NH+]2CCCCC2)c1 ZINC000018162537 182095781 /nfs/dbraw/zinc/09/57/81/182095781.db2.gz QGYFNJAZRUGVCA-UHFFFAOYSA-N 1 0 305.491 3.466 40 0 DGABRO Cc1ccc(NC(=S)NCCC[NH+]2CCCCC2)c(C)c1 ZINC000018162533 182095936 /nfs/dbraw/zinc/09/59/36/182095936.db2.gz TZACCYNODFKLQM-UHFFFAOYSA-N 1 0 305.491 3.466 40 0 DGABRO C[N@H+](CCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000019366773 182118988 /nfs/dbraw/zinc/11/89/88/182118988.db2.gz GKJPZQVNEAGACD-UHFFFAOYSA-N 1 0 310.441 3.040 40 0 DGABRO O=C(C1CCC1)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 ZINC000019373903 182120817 /nfs/dbraw/zinc/12/08/17/182120817.db2.gz XSUNBZBCMYKXQB-GUDVDZBRSA-N 1 0 312.457 3.313 40 0 DGABRO O=c1cc([C@@H]2CCCC[N@@H+]2C2CCCC2)nc(-c2ccncc2)[nH]1 ZINC000019405819 182121708 /nfs/dbraw/zinc/12/17/08/182121708.db2.gz LURMFGAJCMKYGX-KRWDZBQOSA-N 1 0 324.428 3.302 40 0 DGABRO CCn1ncc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1C ZINC000019523945 182127934 /nfs/dbraw/zinc/12/79/34/182127934.db2.gz MGGUYLHHPTYYJR-INIZCTEOSA-N 1 0 323.444 3.467 40 0 DGABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)C1CC1 ZINC000019589052 182131798 /nfs/dbraw/zinc/13/17/98/182131798.db2.gz XWLRJFQDYQBACD-OTWHNJEPSA-N 1 0 312.457 3.265 40 0 DGABRO CC(C)c1ncc(CN2CCC([N@@H+]3CCC[C@H](C)C3)CC2)cn1 ZINC000019496487 182125176 /nfs/dbraw/zinc/12/51/76/182125176.db2.gz BPXZSVZNFRFKPW-INIZCTEOSA-N 1 0 316.493 3.296 40 0 DGABRO Cc1nn(C)cc1-c1cncn1C(C)(C)C[NH+]1CCC(C)CC1 ZINC000019719510 182138539 /nfs/dbraw/zinc/13/85/39/182138539.db2.gz SMFOHLUXSLMKMW-UHFFFAOYSA-N 1 0 315.465 3.059 40 0 DGABRO CCn1nc(C)c(-c2cncn2C[C@H](C)[NH+]2CCCCC2)c1C ZINC000019719612 182138691 /nfs/dbraw/zinc/13/86/91/182138691.db2.gz ROXNMEURZIJCFY-AWEZNQCLSA-N 1 0 315.465 3.258 40 0 DGABRO O[C@]1(c2ccc(F)cc2)CN(c2ccccc2)C2=[N+]1CCCC2 ZINC000022407043 182320969 /nfs/dbraw/zinc/32/09/69/182320969.db2.gz ONEAJCQTKHDJCL-IBGZPJMESA-N 1 0 311.380 3.086 40 0 DGABRO CCOc1ccccc1CN(CC[NH+](C)C)Cc1ccncc1 ZINC000022913747 182339679 /nfs/dbraw/zinc/33/96/79/182339679.db2.gz QSAZBLVPBXSLSJ-UHFFFAOYSA-N 1 0 313.445 3.044 40 0 DGABRO C[NH+](C)CCN(Cc1ccncc1)Cc1ccc2ncccc2c1 ZINC000022913792 182340407 /nfs/dbraw/zinc/34/04/07/182340407.db2.gz FROBABWYGCAWAL-UHFFFAOYSA-N 1 0 320.440 3.194 40 0 DGABRO CN(CC[NH+]1CCCCC1)Cc1cnn(C2CCCCC2)c1 ZINC000022916154 182340708 /nfs/dbraw/zinc/34/07/08/182340708.db2.gz UXGNIRJIJDSCKS-UHFFFAOYSA-N 1 0 304.482 3.306 40 0 DGABRO CC[NH+](CC)CCN[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000023477998 182361597 /nfs/dbraw/zinc/36/15/97/182361597.db2.gz ZMCDSBQGSSIJLF-WOJBJXKFSA-N 1 0 312.457 3.393 40 0 DGABRO C[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000024084457 182375077 /nfs/dbraw/zinc/37/50/77/182375077.db2.gz MNJSXVUTJGKXPU-HDMKZQKVSA-N 1 0 300.446 3.191 40 0 DGABRO CC(=O)N1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219315 257124313 /nfs/dbraw/zinc/12/43/13/257124313.db2.gz DSVNUYAPXWVUSS-QGZVFWFLSA-N 1 0 301.434 3.454 40 0 DGABRO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)cc1 ZINC000007274626 257218490 /nfs/dbraw/zinc/21/84/90/257218490.db2.gz PYEKXEHVSNFEDF-UHFFFAOYSA-N 1 0 322.364 3.418 40 0 DGABRO Cc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1C ZINC000228922736 257214565 /nfs/dbraw/zinc/21/45/65/257214565.db2.gz BMAGDAZDGFRUKU-UHFFFAOYSA-N 1 0 322.416 3.111 40 0 DGABRO Cc1ccc(CN2Cc3cc(C)ccc3OC[C@H]2C[NH+](C)C)o1 ZINC000072395299 292102777 /nfs/dbraw/zinc/10/27/77/292102777.db2.gz CHUXXSNEGXKJEH-QGZVFWFLSA-N 1 0 314.429 3.221 40 0 DGABRO CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2Cc1cc(F)cc(F)c1 ZINC000585108979 400125258 /nfs/dbraw/zinc/12/52/58/400125258.db2.gz JXTDCDQVOQWQFC-IRXDYDNUSA-N 1 0 322.399 3.186 40 0 DGABRO CC(C)[NH+]1CCC2(CC1)OCC[C@H]2CCOCc1ccncc1 ZINC000585103632 400125302 /nfs/dbraw/zinc/12/53/02/400125302.db2.gz CCLXBGAFAALLBK-GOSISDBHSA-N 1 0 318.461 3.268 40 0 DGABRO c1coc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCC2CC2)c1 ZINC000585105191 400126167 /nfs/dbraw/zinc/12/61/67/400126167.db2.gz PUSPZYFPGUQSSX-QGZVFWFLSA-N 1 0 319.445 3.467 40 0 DGABRO Cc1ccc(SCC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000010111094 400131173 /nfs/dbraw/zinc/13/11/73/400131173.db2.gz LMYWABUMCNOBNK-UHFFFAOYSA-N 1 0 320.502 3.469 40 0 DGABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCCOC(C)C)[C@H]2O)c1 ZINC000585289655 400132122 /nfs/dbraw/zinc/13/21/22/400132122.db2.gz UDAQXXZAGZYBJF-IPMKNSEASA-N 1 0 321.461 3.061 40 0 DGABRO CC(C)OCCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010371457 400134393 /nfs/dbraw/zinc/13/43/93/400134393.db2.gz YSGAHOBRRIOEDF-UHFFFAOYSA-N 1 0 318.461 3.217 40 0 DGABRO CCC(=O)N1[C@H](Cc2ccccc2)C[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019712870 400186673 /nfs/dbraw/zinc/18/66/73/400186673.db2.gz ITOGVXXMFWOZIE-FGTMMUONSA-N 1 0 300.446 3.141 40 0 DGABRO CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221060 400287364 /nfs/dbraw/zinc/28/73/64/400287364.db2.gz OHEIXLBMIIKYCY-HIFRSBDPSA-N 1 0 308.853 3.467 40 0 DGABRO C[C@H]1CN([C@@H](C[NH3+])c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000036108194 400388747 /nfs/dbraw/zinc/38/87/47/400388747.db2.gz SUZPBBSUTBAACQ-BHDSKKPTSA-N 1 0 303.233 3.102 40 0 DGABRO [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000218868197 400952190 /nfs/dbraw/zinc/95/21/90/400952190.db2.gz RRNLSOSWIHMGHJ-MKXGPGLRSA-N 1 0 302.462 3.374 40 0 DGABRO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@H+](C1CCCC1)C2 ZINC000225489617 292335760 /nfs/dbraw/zinc/33/57/60/292335760.db2.gz NFAOPMJLRCUFJV-INIZCTEOSA-N 1 0 300.402 3.469 40 0 biogenic,in-vitro DGABRO CC(C)C1(C)CC[NH+](Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000352973792 265252001 /nfs/dbraw/zinc/25/20/01/265252001.db2.gz BOZYHBVBMBMUBL-UHFFFAOYSA-N 1 0 302.418 3.390 40 0 DGABRO CCOC(=O)Nc1nc2ccccc2n1C[NH+]1CCCCC1 ZINC000013212257 424677720 /nfs/dbraw/zinc/67/77/20/424677720.db2.gz RFGFBWWAWKBMDP-UHFFFAOYSA-N 1 0 302.378 3.048 40 0 DGABRO Cc1ccc2c(c1)C1(CN2C(=O)OC(C)(C)C)CC[NH2+]CC1 ZINC000040443086 274770637 /nfs/dbraw/zinc/77/06/37/274770637.db2.gz RZQLSHSZFIMHDE-UHFFFAOYSA-N 1 0 302.418 3.371 40 0 DGABRO c1c[nH]c(-c2nccnc2C[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000257317777 275063540 /nfs/dbraw/zinc/06/35/40/275063540.db2.gz VLBYRLCRGGPNGM-AWEZNQCLSA-N 1 0 311.433 3.064 40 0 DGABRO c1cc(CN2CCC[C@@]3(CCC[N@@H+]3Cc3ccncc3)C2)co1 ZINC000096214915 275064176 /nfs/dbraw/zinc/06/41/76/275064176.db2.gz BKWKSEVTCGYGBF-LJQANCHMSA-N 1 0 311.429 3.305 40 0 DGABRO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[NH2+]C3)cc2n1 ZINC000012220410 276046818 /nfs/dbraw/zinc/04/68/18/276046818.db2.gz YRJHCJVKIIYOCV-SNVBAGLBSA-N 1 0 312.339 3.339 40 0 DGABRO CCCc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000006891247 276055799 /nfs/dbraw/zinc/05/57/99/276055799.db2.gz WZKBTNVVFFZMCN-XYJFISCASA-N 1 0 305.462 3.357 40 0 DGABRO C[NH+](C)CCC[C@@]12O[C@@H](c3ccccc31)[C@@H](O)c1ccccc12 ZINC000001565240 276759480 /nfs/dbraw/zinc/75/94/80/276759480.db2.gz QYDFQGAINLZXRW-UFYCRDLUSA-N 1 0 309.409 3.390 40 0 DGABRO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000019796177 277200399 /nfs/dbraw/zinc/20/03/99/277200399.db2.gz FDHWWVABOPXSGH-NSHDSACASA-N 1 0 304.312 3.230 40 0 DGABRO CC[N@H+](C)[C@H]1CN(C(=O)Cc2ccccc2)C2(C1)CCCCC2 ZINC000257261901 279046117 /nfs/dbraw/zinc/04/61/17/279046117.db2.gz LJFYRGNUJFDBPM-GOSISDBHSA-N 1 0 314.473 3.485 40 0 DGABRO CC[N@H+](C[C@H](O)COc1ccc(C(C)=O)cc1)C1CCCCC1 ZINC000001475576 431228313 /nfs/dbraw/zinc/22/83/13/431228313.db2.gz JYXKEGINCUOKHZ-SFHVURJKSA-N 1 0 319.445 3.284 40 0 DGABRO COc1ccc2c(c1)[C@](O)(C[NH3+])CCCC[C@@H](OC)CCCC2 ZINC000001584365 431232309 /nfs/dbraw/zinc/23/23/09/431232309.db2.gz SKTRNYRPGRIKCS-QFBILLFUSA-N 1 0 321.461 3.143 40 0 DGABRO Cc1ccc(C(=O)[C@H]2C[N@H+](C)CC[C@]2(O)c2ccc(C)cc2)cc1 ZINC000001727260 431239071 /nfs/dbraw/zinc/23/90/71/431239071.db2.gz SWFNNRQTSSTAGB-CTNGQTDRSA-N 1 0 323.436 3.326 40 0 DGABRO COc1cc2c3c(c1)-c1c(ccc(OC)c1O)C[C@H]3N(C)CC2 ZINC000001859101 431239197 /nfs/dbraw/zinc/23/91/97/431239197.db2.gz TWHQHABOPHKTTM-OAHLLOKOSA-N 1 0 311.381 3.162 40 0 DGABRO CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H]([NH3+])C1 ZINC000071790652 431286236 /nfs/dbraw/zinc/28/62/36/431286236.db2.gz SHDNLRJVAIEXBN-SMDDNHRTSA-N 1 0 312.360 3.017 40 0 DGABRO COc1ccc([C@@H]([NH3+])CCc2cccc(OC)c2OC)cc1 ZINC000006484486 431314396 /nfs/dbraw/zinc/31/43/96/431314396.db2.gz BNXPPYKNSVMIIN-INIZCTEOSA-N 1 0 301.386 3.345 40 0 DGABRO c1ccc(-c2ccc(-c3ccc(N4CC[NH2+]CC4)nn3)cc2)cc1 ZINC000071976792 431322171 /nfs/dbraw/zinc/32/21/71/431322171.db2.gz CZXRDIZOCLYJCP-UHFFFAOYSA-N 1 0 316.408 3.220 40 0 DGABRO Fc1ccc(NC(=S)NCCC[NH+]2CCCC2)cc1Cl ZINC000007026930 431329501 /nfs/dbraw/zinc/32/95/01/431329501.db2.gz UTQIDLQQFPZWAU-UHFFFAOYSA-N 1 0 315.845 3.251 40 0 DGABRO C[C@H]1CN(Cc2c3cccnc3[nH]c2C(F)(F)F)C[C@H](C)O1 ZINC000072393707 431336943 /nfs/dbraw/zinc/33/69/43/431336943.db2.gz DAFJWPXEWQBGKD-UWVGGRQHSA-N 1 0 313.323 3.191 40 0 DGABRO CC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000008227197 431387043 /nfs/dbraw/zinc/38/70/43/431387043.db2.gz QBNQIKQVOAZRFJ-UHFFFAOYSA-N 1 0 323.028 3.330 40 0 DGABRO COc1cc(C[NH2+]C2CCCC2)cc(Br)c1OC ZINC000008469802 431398951 /nfs/dbraw/zinc/39/89/51/431398951.db2.gz YEEYSBQRPXAOHO-UHFFFAOYSA-N 1 0 314.223 3.499 40 0 DGABRO Cc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000008430588 431400147 /nfs/dbraw/zinc/40/01/47/431400147.db2.gz BKWTVDXKPCYNJD-UHFFFAOYSA-N 1 0 322.452 3.450 40 0 DGABRO COc1cc(C=O)ccc1OCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008731457 431408993 /nfs/dbraw/zinc/40/89/93/431408993.db2.gz OORCWKMBMDLTPT-GASCZTMLSA-N 1 0 305.418 3.255 40 0 DGABRO C[C@@H](SCc1ccccc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000010277010 431458066 /nfs/dbraw/zinc/45/80/66/431458066.db2.gz VZEFCKAEZOCDLA-MRXNPFEDSA-N 1 0 320.502 3.301 40 0 DGABRO CCc1cccc2cc(C[NH2+]Cc3ccc(OC)cc3)c(=O)[nH]c21 ZINC000013566698 431560024 /nfs/dbraw/zinc/56/00/24/431560024.db2.gz MARCSMPBYOCLHI-UHFFFAOYSA-N 1 0 322.408 3.389 40 0 DGABRO COc1ccc(CC[NH2+]Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000013998938 431575119 /nfs/dbraw/zinc/57/51/19/431575119.db2.gz CNEPPCUALOBDCY-UHFFFAOYSA-N 1 0 322.408 3.177 40 0 DGABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1Cl ZINC000014982445 431597598 /nfs/dbraw/zinc/59/75/98/431597598.db2.gz ZZHFJTWJGFOXMO-BBRMVZONSA-N 1 0 306.837 3.334 40 0 DGABRO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OC1CCCC1 ZINC000032202092 431774468 /nfs/dbraw/zinc/77/44/68/431774468.db2.gz DXTAZDHFELFANZ-MRXNPFEDSA-N 1 0 305.418 3.285 40 0 DGABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCCCC1)C2 ZINC000035075022 431824316 /nfs/dbraw/zinc/82/43/16/431824316.db2.gz QHYMIDXILVIDSE-NTDBWNAOSA-N 1 0 309.494 3.455 40 0 DGABRO COc1ccc(CC[NH2+][C@@H](C)c2ccccc2N)cc1OC ZINC000095097488 431922080 /nfs/dbraw/zinc/92/20/80/431922080.db2.gz CFNIJPNYVCOJHA-ZDUSSCGKSA-N 1 0 300.402 3.179 40 0 DGABRO C[C@H]1C[C@H]1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000048303127 431923272 /nfs/dbraw/zinc/92/32/72/431923272.db2.gz JGYJECHCDULUBN-IUVQAAGXSA-N 1 0 314.473 3.437 40 0 DGABRO CC1(C)CC(=O)C(Cc2ccccc2)(C[n+]2ccccc2)C(=O)C1 ZINC000005414968 280890601 /nfs/dbraw/zinc/89/06/01/280890601.db2.gz HXWPYDOEAFGBNJ-UHFFFAOYSA-N 1 0 322.428 3.161 40 0 DGABRO C[C@@H]1CCC[N@H+](CCCNC(=O)Cc2ccccc2Cl)C1 ZINC000046961511 431903948 /nfs/dbraw/zinc/90/39/48/431903948.db2.gz RPDAYYMXQPAVOI-CQSZACIVSA-N 1 0 308.853 3.121 40 0 DGABRO Cc1nccc([C@H]2C[C@@H]3CC[N@H+](Cc4ccsc4)C[C@H]3O2)n1 ZINC000097953898 431975015 /nfs/dbraw/zinc/97/50/15/431975015.db2.gz UFQJPTOBGCWOTG-USXIJHARSA-N 1 0 315.442 3.199 40 0 DGABRO Cc1ccsc1C[N@H+]1CC[C@H]2O[C@@H](c3nnc(C)o3)CC[C@H]21 ZINC000097953621 431975041 /nfs/dbraw/zinc/97/50/41/431975041.db2.gz NAOIZLFJJHBBIO-MGPQQGTHSA-N 1 0 319.430 3.243 40 0 DGABRO c1csc(CN2CCC[C@]3(C2)COCC[N@@H+](CC2CC2)C3)c1 ZINC000096049469 431934932 /nfs/dbraw/zinc/93/49/32/431934932.db2.gz FVIPDGQCANHFOT-GOSISDBHSA-N 1 0 320.502 3.073 40 0 DGABRO CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(C)s1)CCO2 ZINC000096051871 431935631 /nfs/dbraw/zinc/93/56/31/431935631.db2.gz DNZCVOFYOLJAFX-DOTOQJQBSA-N 1 0 309.475 3.464 40 0 DGABRO O=C1CCC2(CC[NH+](Cc3ccoc3)CC2)N1Cc1ccccc1 ZINC000096049412 431935711 /nfs/dbraw/zinc/93/57/11/431935711.db2.gz VFBHSKYGAVGGFY-UHFFFAOYSA-N 1 0 324.424 3.437 40 0 DGABRO c1coc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)c1 ZINC000096039799 431935801 /nfs/dbraw/zinc/93/58/01/431935801.db2.gz AXHWVVFYWPBOKW-ZWKOTPCHSA-N 1 0 305.418 3.077 40 0 DGABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)co1 ZINC000096039801 431935870 /nfs/dbraw/zinc/93/58/70/431935870.db2.gz IIGWTLYDUWSVMC-ZWKOTPCHSA-N 1 0 305.418 3.077 40 0 DGABRO FC1(F)CC[N@H+](CC2CC2)C[C@]12CCN(c1cccnc1)C2 ZINC000096051135 431935972 /nfs/dbraw/zinc/93/59/72/431935972.db2.gz BVOLRCASRQZKOC-INIZCTEOSA-N 1 0 307.388 3.029 40 0 DGABRO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH+](CC1CC1)CC2 ZINC000096100277 431937682 /nfs/dbraw/zinc/93/76/82/431937682.db2.gz JOIBAWINBPTLMV-IBGZPJMESA-N 1 0 324.468 3.472 40 0 DGABRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccco3)C2)C1=O ZINC000096100293 431938058 /nfs/dbraw/zinc/93/80/58/431938058.db2.gz BIXZCABVYXZFFJ-FQEVSTJZSA-N 1 0 324.424 3.426 40 0 DGABRO c1coc(C[NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)c1 ZINC000096106452 431938479 /nfs/dbraw/zinc/93/84/79/431938479.db2.gz KSTYHTLGGVRPLJ-QGZVFWFLSA-N 1 0 319.445 3.325 40 0 DGABRO c1cc(CO[C@H]2COC3(C2)CC[NH+](CC2CCC2)CC3)ccn1 ZINC000096106858 431938510 /nfs/dbraw/zinc/93/85/10/431938510.db2.gz CJVBHSZOGROLEA-GOSISDBHSA-N 1 0 316.445 3.022 40 0 DGABRO Cc1cc2nc(CO[C@H]3C[N@H+](CC4CC4)C[C@H]3F)[nH]c2cc1C ZINC000096112352 431938637 /nfs/dbraw/zinc/93/86/37/431938637.db2.gz VSZSPPZUTKXHKX-PBHICJAKSA-N 1 0 317.408 3.129 40 0 biogenic,in-vitro DGABRO Fc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccccc2)COC1 ZINC000096112718 431939083 /nfs/dbraw/zinc/93/90/83/431939083.db2.gz UWGYMCKOVJRSLM-HNNXBMFYSA-N 1 0 311.360 3.037 40 0 biogenic,in-vitro DGABRO O=C(C1CCCCC1)N1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC000096156922 431940488 /nfs/dbraw/zinc/94/04/88/431940488.db2.gz MLHAWVYSIOKTFK-UHFFFAOYSA-N 1 0 312.457 3.230 40 0 DGABRO Cc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CC2CCOCC2)s1 ZINC000096184431 431941309 /nfs/dbraw/zinc/94/13/09/431941309.db2.gz ZZQVKAIIYDUJJZ-ZWKOTPCHSA-N 1 0 320.502 3.132 40 0 DGABRO Cn1cc2c(n1)[C@H](COCC1CC1)CN(Cc1cccs1)C2 ZINC000096198007 431941787 /nfs/dbraw/zinc/94/17/87/431941787.db2.gz JWGPTMMFNZGUTF-HNNXBMFYSA-N 1 0 317.458 3.008 40 0 DGABRO CCC(CC)C[N@@H+]1CCc2nc(N3CCCC3)nc(C)c2C1 ZINC000096253855 431943418 /nfs/dbraw/zinc/94/34/18/431943418.db2.gz DJAPCRUAYAQFQE-UHFFFAOYSA-N 1 0 302.466 3.180 40 0 DGABRO Cc1ccc(CN2CCO[C@H]3C[N@H+](CC4CCCCC4)C[C@H]32)o1 ZINC000096248809 431943491 /nfs/dbraw/zinc/94/34/91/431943491.db2.gz DEYNHGGMZCKUOP-MOPGFXCFSA-N 1 0 318.461 3.053 40 0 DGABRO c1csc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c1 ZINC000096255307 431943630 /nfs/dbraw/zinc/94/36/30/431943630.db2.gz FJBUETHQHGCUCG-UHFFFAOYSA-N 1 0 322.437 3.201 40 0 DGABRO CC(C)Cc1ncc(-c2nccnc2C[C@@H]2CCC[NH2+]C2)s1 ZINC000257218929 432417979 /nfs/dbraw/zinc/41/79/79/432417979.db2.gz DEVZWICZLUDHQH-ZDUSSCGKSA-N 1 0 316.474 3.341 40 0 DGABRO Cc1cc2nccc(C3CC[NH+](Cc4cccc(C)n4)CC3)n2n1 ZINC000257216720 432418343 /nfs/dbraw/zinc/41/83/43/432418343.db2.gz CVVFZGKJKDQKNE-UHFFFAOYSA-N 1 0 321.428 3.121 40 0 DGABRO Cc1ncc(-c2nccnc2[C@@H]2CCC[N@@H+](CC(C)C)C2)n1C ZINC000257216535 432419190 /nfs/dbraw/zinc/41/91/90/432419190.db2.gz CUYJRMQPNXLDML-OAHLLOKOSA-N 1 0 313.449 3.021 40 0 DGABRO O=C(c1ccccn1)N1CCCC[C@@H]2[NH2+][C@H](c3ccccc3)C[C@H]21 ZINC000257229070 432420257 /nfs/dbraw/zinc/42/02/57/432420257.db2.gz FWPBAXSTRNDNAD-YTQUADARSA-N 1 0 321.424 3.180 40 0 DGABRO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2CCc2ccccc2)nc1 ZINC000257245415 432421931 /nfs/dbraw/zinc/42/19/31/432421931.db2.gz IPJNIXWNOHHSGB-FQEVSTJZSA-N 1 0 323.440 3.097 40 0 DGABRO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257239877 432422126 /nfs/dbraw/zinc/42/21/26/432422126.db2.gz HRERDMDWGFNDGW-MRXNPFEDSA-N 1 0 319.412 3.246 40 0 DGABRO c1ccc(N2CCCC2)c(C[N@@H+]2CCC[C@H](c3cnccn3)C2)c1 ZINC000257248848 432423008 /nfs/dbraw/zinc/42/30/08/432423008.db2.gz JFMSYOCOTBTENN-KRWDZBQOSA-N 1 0 322.456 3.456 40 0 DGABRO CO[C@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@@]12CCCO2 ZINC000257256279 432423201 /nfs/dbraw/zinc/42/32/01/432423201.db2.gz KKUNSQHUGVMACG-OALUTQOASA-N 1 0 312.413 3.005 40 0 DGABRO CNc1cncc([C@@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257259387 432425162 /nfs/dbraw/zinc/42/51/62/432425162.db2.gz KYDRNHMCMRIKMR-KRWDZBQOSA-N 1 0 322.412 3.131 40 0 DGABRO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@@H+](Cc1cccnc1)C2 ZINC000225488010 432692901 /nfs/dbraw/zinc/69/29/01/432692901.db2.gz JZNWDBVGBCOHOG-KRWDZBQOSA-N 1 0 323.396 3.121 40 0 biogenic,in-vitro DGABRO Cc1ccc(OC[C@H](C)NC(=S)Nc2ccncc2)cc1C ZINC000225792067 432698268 /nfs/dbraw/zinc/69/82/68/432698268.db2.gz BXERQWYQTUKNAJ-AWEZNQCLSA-N 1 0 315.442 3.452 40 0 DGABRO Cc1ccc(C)c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225052602 432687094 /nfs/dbraw/zinc/68/70/94/432687094.db2.gz IVWZMULUGWZZCN-IYBDPMFKSA-N 1 0 302.462 3.401 40 0 DGABRO c1ccc(Oc2cccc3c(N4CC[NH2+]CC4)ccnc23)cc1 ZINC000225321870 432688445 /nfs/dbraw/zinc/68/84/45/432688445.db2.gz TZUKTXMXMNPREN-UHFFFAOYSA-N 1 0 305.381 3.437 40 0 DGABRO CC[C@H](C)Nc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C)[nH+]1 ZINC000329027135 434345239 /nfs/dbraw/zinc/34/52/39/434345239.db2.gz PRDKYBMDJMGRDR-ZFWWWQNUSA-N 1 0 310.445 3.947 40 0 DGABRO CCNc1cc(N2CCc3cc(Cl)ccc3C2)nc(C)[nH+]1 ZINC000329043682 434350801 /nfs/dbraw/zinc/35/08/01/434350801.db2.gz SUCZKEAABIVNHW-UHFFFAOYSA-N 1 0 302.809 3.433 40 0 DGABRO C[NH+]1CCN(Cc2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000216789557 546262494 /nfs/dbraw/zinc/26/24/94/546262494.db2.gz BXXUPGRULHQISE-UHFFFAOYSA-N 1 0 307.397 3.242 40 0 DGABRO O=C1CC[C@]2(CCC[N@H+](Cc3cccc(F)c3)CC2)N1CCF ZINC000585100261 547024553 /nfs/dbraw/zinc/02/45/53/547024553.db2.gz JDDNHNMYXSBGJQ-SFHVURJKSA-N 1 0 322.399 3.142 40 0 DGABRO CCC(CC)C[N@@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099577 547025205 /nfs/dbraw/zinc/02/52/05/547025205.db2.gz RARTZFNNBWIKOG-KRWDZBQOSA-N 1 0 321.490 3.004 40 0 DGABRO COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261853172 657139328 /nfs/dbraw/zinc/13/93/28/657139328.db2.gz JRVAJMLWXOTGEG-WMLDXEAASA-N 1 0 318.461 3.479 40 0 DGABRO c1ccc2c(c1)C=CO[C@@H]2C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000026895350 1193864348 /nfs/dbraw/zinc/86/43/48/1193864348.db2.gz IGNDBFYZORRAOJ-DNVCBOLYSA-N 1 0 309.365 3.158 40 0 DGABRO CC(C)(C)OC(=O)N[C@@H](c1ccc(C[NH3+])cc1)C(F)(F)F ZINC000072196017 191074069 /nfs/dbraw/zinc/07/40/69/191074069.db2.gz YWKVYZNATQCGBD-NSHDSACASA-N 1 0 304.312 3.273 40 0 DGABRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@](C)(CC)OC)cc1 ZINC000225601771 186282137 /nfs/dbraw/zinc/28/21/37/186282137.db2.gz WCUKSYIATVGDCT-SFHVURJKSA-N 1 0 322.449 3.161 40 0 DGABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225606218 186282826 /nfs/dbraw/zinc/28/28/26/186282826.db2.gz ZBOIYEIJHXGVPV-SFHVURJKSA-N 1 0 322.449 3.017 40 0 DGABRO Cc1cc(C)c(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000225651097 186286585 /nfs/dbraw/zinc/28/65/85/186286585.db2.gz XNYJXWRXISONGV-CQSZACIVSA-N 1 0 302.462 3.464 40 0 DGABRO CCOC(C)(C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225647189 186286587 /nfs/dbraw/zinc/28/65/87/186286587.db2.gz ASCDSSJIIRLFBV-UHFFFAOYSA-N 1 0 322.449 3.161 40 0 DGABRO COCC[N@@H+]1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358495 191130754 /nfs/dbraw/zinc/13/07/54/191130754.db2.gz AQVJPMDTEBXMHK-AWEZNQCLSA-N 1 0 315.392 3.109 40 0 DGABRO Cc1cnc(CCNc2cccc(C[C@@H]3CCC[NH2+]C3)n2)s1 ZINC000072365535 191133831 /nfs/dbraw/zinc/13/38/31/191133831.db2.gz HYAUJANMNSUPNU-AWEZNQCLSA-N 1 0 316.474 3.043 40 0 DGABRO Cc1nc(NCc2ccccc2F)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072365043 191134593 /nfs/dbraw/zinc/13/45/93/191134593.db2.gz ATZPHBPQHMYPRH-CQSZACIVSA-N 1 0 300.381 3.003 40 0 DGABRO Cn1cc(C[N@@H+]2CC[C@@H](Cc3cnc4ccccc4c3)C2)cn1 ZINC000072368001 191136594 /nfs/dbraw/zinc/13/65/94/191136594.db2.gz KIEFWYOWKACWRZ-HNNXBMFYSA-N 1 0 306.413 3.033 40 0 DGABRO c1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H](c3cnccn3)C1)CO2 ZINC000072369386 191139063 /nfs/dbraw/zinc/13/90/63/191139063.db2.gz SCVWAXSAXCTDRJ-KRWDZBQOSA-N 1 0 307.397 3.132 40 0 DGABRO Cc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072369981 191140089 /nfs/dbraw/zinc/14/00/89/191140089.db2.gz ASGGXSIOFWYGLZ-QGZVFWFLSA-N 1 0 320.396 3.430 40 0 DGABRO CN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)ccn1)C1CCCCC1 ZINC000072387026 191144999 /nfs/dbraw/zinc/14/49/99/191144999.db2.gz LXBWGPYTBPGOBO-QGZVFWFLSA-N 1 0 301.434 3.253 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000072389887 191148302 /nfs/dbraw/zinc/14/83/02/191148302.db2.gz DDCDEIOONSWKIP-KRWDZBQOSA-N 1 0 320.396 3.430 40 0 DGABRO CN(C(=O)c1cc([C@@H]2CCC[N@@H+]2C)ccn1)C1CCCCC1 ZINC000072387027 191145663 /nfs/dbraw/zinc/14/56/63/191145663.db2.gz LXBWGPYTBPGOBO-KRWDZBQOSA-N 1 0 301.434 3.253 40 0 DGABRO O[C@]1(c2cccs2)CN2CCCCCC2=[N+]1c1ccccc1 ZINC000000407652 180778787 /nfs/dbraw/zinc/77/87/87/180778787.db2.gz ZHSUDMIUUHCBQX-SFHVURJKSA-N 1 0 313.446 3.398 40 0 DGABRO COc1ccccc1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000237186301 202181146 /nfs/dbraw/zinc/18/11/46/202181146.db2.gz RKXGZUWEWZYDAS-CQSZACIVSA-N 1 0 315.413 3.433 40 0 in-vitro DGABRO CCOC(=O)Nc1[o+]nn(-c2ccccc2)c1-c1ccccc1 ZINC000006403192 181338124 /nfs/dbraw/zinc/33/81/24/181338124.db2.gz PMGNKYHPWFUPNW-UHFFFAOYSA-O 1 0 310.333 3.187 40 0 DGABRO Cc1nc(Nc2nccs2)cc([C@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000257278601 203006751 /nfs/dbraw/zinc/00/67/51/203006751.db2.gz OCWLKCUHWPYTCZ-ZDUSSCGKSA-N 1 0 317.462 3.430 40 0 DGABRO COCc1sc(-c2cccc([C@H]3CCC[NH2+]C3)n2)nc1C ZINC000257282522 203010115 /nfs/dbraw/zinc/01/01/15/203010115.db2.gz OUATVSINHWBCQB-LBPRGKRZSA-N 1 0 303.431 3.127 40 0 DGABRO CC(C)Oc1ccc([C@@H]2C[NH2+]CCN2Cc2cscn2)cc1 ZINC000257287521 203014070 /nfs/dbraw/zinc/01/40/70/203014070.db2.gz PQHZAWUJYBKEAD-KRWDZBQOSA-N 1 0 317.458 3.077 40 0 DGABRO Cc1cn(C)c([C@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257294686 203018171 /nfs/dbraw/zinc/01/81/71/203018171.db2.gz QVGZCZLBYUPWNI-SFHVURJKSA-N 1 0 323.440 3.384 40 0 DGABRO CNc1cc([C@@H]2CCC[N@H+](Cc3ccnn3C(C)C)C2)ccn1 ZINC000257329115 203052908 /nfs/dbraw/zinc/05/29/08/203052908.db2.gz XINMLWWGURRGPB-MRXNPFEDSA-N 1 0 313.449 3.280 40 0 DGABRO Cc1c(C[N@@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)cnn1C ZINC000257330119 203053021 /nfs/dbraw/zinc/05/30/21/203053021.db2.gz XMXUXSLGMHCXGH-MNZLEMJZSA-N 1 0 311.429 3.018 40 0 DGABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)n1 ZINC000257316467 203040777 /nfs/dbraw/zinc/04/07/77/203040777.db2.gz VFTCQWSQHMEZGM-GOSISDBHSA-N 1 0 322.456 3.375 40 0 DGABRO CCOC[C@H]1COCCC12CC[NH+](CCc1ccccc1)CC2 ZINC000096106413 193539024 /nfs/dbraw/zinc/53/90/24/193539024.db2.gz NPIPOAMOFGVQLX-IBGZPJMESA-N 1 0 317.473 3.384 40 0 DGABRO COc1ccccc1/C=C/C(=O)NCCC[NH+]1CCCCCC1 ZINC000013673047 181877128 /nfs/dbraw/zinc/87/71/28/181877128.db2.gz YSMVHCHSCOIPNW-VAWYXSNFSA-N 1 0 316.445 3.091 40 0 DGABRO CC(C)(C)c1noc([C@H]2CC[N@H+](Cc3ccccc3F)C2)n1 ZINC000019084654 182104427 /nfs/dbraw/zinc/10/44/27/182104427.db2.gz FXFWKZDZKLYTBV-ZDUSSCGKSA-N 1 0 303.381 3.496 40 0 DGABRO C[NH+]1CCN(Cc2c3cccnc3[nH]c2-c2ccc(F)cc2)CC1 ZINC000019590055 182131956 /nfs/dbraw/zinc/13/19/56/182131956.db2.gz UIPCPJZBXRXMOJ-UHFFFAOYSA-N 1 0 324.403 3.116 40 0 DGABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c(C)n1 ZINC000019524540 182128213 /nfs/dbraw/zinc/12/82/13/182128213.db2.gz IXTHEGPMHCWFGN-MRXNPFEDSA-N 1 0 323.444 3.467 40 0 DGABRO C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)C1CC1 ZINC000019589122 182132078 /nfs/dbraw/zinc/13/20/78/182132078.db2.gz NKLONKCUFFRJFJ-GUDVDZBRSA-N 1 0 312.457 3.265 40 0 DGABRO C[NH+](C)C[C@@H]1CN(Cc2ccccc2F)Cc2ccccc2O1 ZINC000019582088 182132582 /nfs/dbraw/zinc/13/25/82/182132582.db2.gz HCGIVETWDNALSU-QGZVFWFLSA-N 1 0 314.404 3.151 40 0 DGABRO CCOCCCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020493040 182224316 /nfs/dbraw/zinc/22/43/16/182224316.db2.gz BFQNIOXUKSTTLD-MRXNPFEDSA-N 1 0 318.461 3.075 40 0 DGABRO COc1cccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000032462031 182643420 /nfs/dbraw/zinc/64/34/20/182643420.db2.gz UWFFQYVUCWDUDM-UHFFFAOYSA-N 1 0 324.424 3.221 40 0 DGABRO CC[NH+](CC)CC(=O)Nc1c(C)ccc(Br)c1C ZINC000065735000 184377879 /nfs/dbraw/zinc/37/78/79/184377879.db2.gz OWGUAZBPDHJLDX-UHFFFAOYSA-N 1 0 313.239 3.346 40 0 in-vitro DGABRO Cc1nc(N)ccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072218555 257123932 /nfs/dbraw/zinc/12/39/32/257123932.db2.gz OIZQJWBMLJKTAY-INIZCTEOSA-N 1 0 311.385 3.446 40 0 DGABRO CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2[C@@H](C)c1ccccc1 ZINC000585108874 400125967 /nfs/dbraw/zinc/12/59/67/400125967.db2.gz ALWQVEZPEHXMIG-SZMVWBNQSA-N 1 0 300.446 3.469 40 0 DGABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]C1CCCCC1 ZINC000585289648 400131755 /nfs/dbraw/zinc/13/17/55/400131755.db2.gz UBZKLMHAWMRTOR-RCCFBDPRSA-N 1 0 307.409 3.409 40 0 DGABRO C[C@@H]1CCC[N@@H+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000002036717 287368381 /nfs/dbraw/zinc/36/83/81/287368381.db2.gz VPNANHREENRPSZ-QGZVFWFLSA-N 1 0 322.452 3.332 40 0 DGABRO Cc1ccncc1CO[C@@H]1CCOC2(C[NH+](C3CCCC3)C2)C1 ZINC000247838575 432251227 /nfs/dbraw/zinc/25/12/27/432251227.db2.gz OOEYPNPAYBRWON-GOSISDBHSA-N 1 0 316.445 3.083 40 0 DGABRO Cc1ccc2c(c1)C1(CN2C(=O)c2ccccc2)CC[NH2+]CC1 ZINC000096161005 274770787 /nfs/dbraw/zinc/77/07/87/274770787.db2.gz SVUITJVQGIZXAM-UHFFFAOYSA-N 1 0 306.409 3.277 40 0 DGABRO Nc1cc(N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000079069777 274964328 /nfs/dbraw/zinc/96/43/28/274964328.db2.gz QPVBTKYCMSXJSX-UHFFFAOYSA-N 1 0 313.367 3.352 40 0 DGABRO COc1ccc(-c2cn3c4c(n(C(C)C)c3n2)CC[NH2+]C4)cc1 ZINC000306125832 277396767 /nfs/dbraw/zinc/39/67/67/277396767.db2.gz DDEPQKGPHXISGM-UHFFFAOYSA-N 1 0 310.401 3.038 40 0 DGABRO CC1=[NH+]CCNc2c3ccccc3n(-c3ccccc3)c(=O)c21 ZINC000003844338 278509909 /nfs/dbraw/zinc/50/99/09/278509909.db2.gz IGKASILSVZSYDM-UHFFFAOYSA-N 1 0 303.365 3.225 40 0 DGABRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000068593194 431134563 /nfs/dbraw/zinc/13/45/63/431134563.db2.gz XCMHWWZDAXHISG-HOCLYGCPSA-N 1 0 304.434 3.422 40 0 DGABRO c1ccc2c(c1)[nH]c1c2CCN2[C@@H]1[C@@H]1CC[C@H]2[C@H]2CCC[NH2+][C@@H]12 ZINC000000338156 431167775 /nfs/dbraw/zinc/16/77/75/431167775.db2.gz SBGPASZOVGSOFJ-RVZUANDWSA-N 1 0 307.441 3.228 40 0 DGABRO CC(C)C(=O)O[C@@H]1c2cc(OCC[NH+](C)C)ccc2C[C@H]1C ZINC000001668196 431235026 /nfs/dbraw/zinc/23/50/26/431235026.db2.gz MZHSSHXKQOTGOQ-DYVFJYSZSA-N 1 0 305.418 3.060 40 0 DGABRO CCCCCOC(=O)c1ccc(NC(=O)C[NH2+]CC(C)C)cc1 ZINC000001671702 431236561 /nfs/dbraw/zinc/23/65/61/431236561.db2.gz CNSQTDGGVLBSEV-UHFFFAOYSA-N 1 0 320.433 3.218 40 0 DGABRO CC(C)(C)OC(=O)Nc1ccc(C(N)=[NH2+])cc1Br ZINC000002599226 431258824 /nfs/dbraw/zinc/25/88/24/431258824.db2.gz FLEHCHATPUXQST-UHFFFAOYSA-N 1 0 314.183 3.080 40 0 DGABRO CC[C@H]1C[N@@H+]2CC[C@]34c5ccccc5N5C(=O)CC=C([C@H]53)[C@H]1C[C@H]24 ZINC000004568916 431300677 /nfs/dbraw/zinc/30/06/77/431300677.db2.gz GWARICYURZSFAG-RGTVFCOUSA-N 1 0 320.436 3.104 40 0 DGABRO CC(C)[N@@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000072352559 431337558 /nfs/dbraw/zinc/33/75/58/431337558.db2.gz WVOFRTHJJPNJRE-GFCCVEGCSA-N 1 0 317.458 3.196 40 0 DGABRO C/C=C1/C[N@@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(O)cc21 ZINC000008627617 431402330 /nfs/dbraw/zinc/40/23/30/431402330.db2.gz VBKQRUUVDAWDIP-CLKJAKIKSA-N 1 0 310.397 3.014 40 0 DGABRO Cc1ccc(NC(=S)NC[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000009876218 431448135 /nfs/dbraw/zinc/44/81/35/431448135.db2.gz QAUCCRUIZWRLFG-GFCCVEGCSA-N 1 0 311.882 3.277 40 0 DGABRO O=C(CSc1ccccc1)NCCC[NH+]1CCCCCC1 ZINC000010111093 431452738 /nfs/dbraw/zinc/45/27/38/431452738.db2.gz DIAHFIBAUJFCCT-UHFFFAOYSA-N 1 0 306.475 3.161 40 0 DGABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(Cl)c2)C1 ZINC000010542847 431462695 /nfs/dbraw/zinc/46/26/95/431462695.db2.gz VAHGQBRGGDWMFM-KBPBESRZSA-N 1 0 308.853 3.438 40 0 DGABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000012170037 431494413 /nfs/dbraw/zinc/49/44/13/431494413.db2.gz KSBZZJRLSSHLLD-JKIFEVAISA-N 1 0 311.853 3.195 40 0 DGABRO C=Cn1ncc(C[NH+]2CCC(O)(c3ccccc3C)CC2)c1C ZINC000012188738 431497160 /nfs/dbraw/zinc/49/71/60/431497160.db2.gz ZLHNREZFHYXLSJ-UHFFFAOYSA-N 1 0 311.429 3.084 40 0 DGABRO C[NH+](C)CCCNc1ncc(-c2ccncc2)c(-c2ccco2)n1 ZINC000012222332 431497816 /nfs/dbraw/zinc/49/78/16/431497816.db2.gz YZDBNDZOZTUMGR-UHFFFAOYSA-N 1 0 323.400 3.162 40 0 DGABRO CCOc1ncccc1-c1noc(C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000012234044 431498054 /nfs/dbraw/zinc/49/80/54/431498054.db2.gz OPQUXTUODYMZFD-CHWSQXEVSA-N 1 0 316.405 3.008 40 0 DGABRO Cc1cccc(CC[NH2+]Cc2cc3cc(C)ccc3[nH]c2=O)c1 ZINC000012468820 431508581 /nfs/dbraw/zinc/50/85/81/431508581.db2.gz BZWQPQIAAVGWTQ-UHFFFAOYSA-N 1 0 306.409 3.477 40 0 DGABRO CC[NH+](CC)CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000027974734 431697353 /nfs/dbraw/zinc/69/73/53/431697353.db2.gz MGIZYQVKVCAFOP-HNNXBMFYSA-N 1 0 314.429 3.065 40 0 DGABRO CCCCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039742408 431855930 /nfs/dbraw/zinc/85/59/30/431855930.db2.gz QKYKOQUYIIJFFU-UHFFFAOYSA-N 1 0 306.425 3.344 40 0 DGABRO CC(C)CC[NH2+]CC(=O)Nc1ccccc1N1CCCCC1 ZINC000035311477 431829946 /nfs/dbraw/zinc/82/99/46/431829946.db2.gz RIDVWJLZUXZDJF-UHFFFAOYSA-N 1 0 303.450 3.251 40 0 DGABRO CC[NH+]1CCN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 ZINC000054559786 431972057 /nfs/dbraw/zinc/97/20/57/431972057.db2.gz ASVWXTJXXVVVST-DHZHZOJOSA-N 1 0 300.446 3.161 40 0 DGABRO CC(C)(C)OC(=O)NCC1(Cc2cccc(F)c2)CC[NH2+]CC1 ZINC000096029502 431934187 /nfs/dbraw/zinc/93/41/87/431934187.db2.gz IWQSJRFOSQAZLO-UHFFFAOYSA-N 1 0 322.424 3.263 40 0 DGABRO Fc1cccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4ccoc4)C3)C2)c1 ZINC000096047580 431934868 /nfs/dbraw/zinc/93/48/68/431934868.db2.gz KSDHVUXZTZPOEB-QZTJIDSGSA-N 1 0 316.376 3.264 40 0 DGABRO Cc1noc(C)c1C[N@H+]1CC[C@H]2OCCC[C@]2(COC(C)C)C1 ZINC000096040502 431935107 /nfs/dbraw/zinc/93/51/07/431935107.db2.gz YIFJLDWXQHYNLK-QZTJIDSGSA-N 1 0 322.449 3.088 40 0 DGABRO c1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC000096041719 431935291 /nfs/dbraw/zinc/93/52/91/431935291.db2.gz UCZFMYLEMUBIAL-XUVXKRRUSA-N 1 0 324.424 3.030 40 0 DGABRO c1cc([C@H]2C[C@@H]3CC[N@@H+](CC4CCCCC4)C[C@H]3O2)ncn1 ZINC000096046142 431935459 /nfs/dbraw/zinc/93/54/59/431935459.db2.gz WTIRXSMGYWFHGR-CGTJXYLNSA-N 1 0 301.434 3.209 40 0 DGABRO c1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cs1 ZINC000096047147 431935781 /nfs/dbraw/zinc/93/57/81/431935781.db2.gz ISJDMJSFPDIIIW-QGZVFWFLSA-N 1 0 314.458 3.031 40 0 DGABRO Cc1ccc(C[N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)s1 ZINC000096053684 431936133 /nfs/dbraw/zinc/93/61/33/431936133.db2.gz BPXZAQLAJVSWFD-WFASDCNBSA-N 1 0 318.467 3.213 40 0 DGABRO CC[C@@H]1[N@H+](Cc2ccc(C)s2)CCC[C@]12CCC(=O)N2C ZINC000096052417 431936363 /nfs/dbraw/zinc/93/63/63/431936363.db2.gz JCONYAJSCQCLMQ-RDJZCZTQSA-N 1 0 306.475 3.422 40 0 DGABRO Cc1ccc(C[N@@H+]2CCc3ncnc(OC(C)C)c3CC2)s1 ZINC000096058782 431936650 /nfs/dbraw/zinc/93/66/50/431936650.db2.gz RFDQUDCOECFRGS-UHFFFAOYSA-N 1 0 317.458 3.235 40 0 DGABRO c1cc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cs1 ZINC000096056409 431936671 /nfs/dbraw/zinc/93/66/71/431936671.db2.gz CGGBXZIQKJDGQZ-BRWVUGGUSA-N 1 0 307.459 3.297 40 0 DGABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](CC4CC4)C3)o2)cc1 ZINC000049170257 431936740 /nfs/dbraw/zinc/93/67/40/431936740.db2.gz HXEMZFKVGPLGOS-HNNXBMFYSA-N 1 0 312.417 3.002 40 0 biogenic,in-vitro DGABRO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)o1 ZINC000096053863 431937237 /nfs/dbraw/zinc/93/72/37/431937237.db2.gz BJPPALGUHJGSHI-IRXDYDNUSA-N 1 0 314.404 3.291 40 0 DGABRO c1ccn(C[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2cccs2)c1 ZINC000096055342 431937391 /nfs/dbraw/zinc/93/73/91/431937391.db2.gz WMPMQDGVPGSFNJ-USXIJHARSA-N 1 0 302.443 3.229 40 0 DGABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCC4)C3)o2)cc1 ZINC000049170191 431937398 /nfs/dbraw/zinc/93/73/98/431937398.db2.gz IIXKGABXZOQHAR-AWEZNQCLSA-N 1 0 312.417 3.144 40 0 biogenic,in-vitro DGABRO Cc1nc(CO[C@@H]2CO[C@]3(CC[N@H+](CC4CCC4)C3)C2)cs1 ZINC000096072407 431938322 /nfs/dbraw/zinc/93/83/22/431938322.db2.gz IXBCUGMTJCVEON-DLBZAZTESA-N 1 0 322.474 3.002 40 0 DGABRO CCOC[C@@H]1COCCC12CC[NH+](Cc1cccs1)CC2 ZINC000096106384 431938817 /nfs/dbraw/zinc/93/88/17/431938817.db2.gz XTXDRHDQIXZYLZ-OAHLLOKOSA-N 1 0 309.475 3.403 40 0 DGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]2OC)cc1 ZINC000096110546 431939255 /nfs/dbraw/zinc/93/92/55/431939255.db2.gz NREKRLKYPKSBJZ-HKUYNNGSSA-N 1 0 315.413 3.368 40 0 DGABRO O=C(c1cccc(Cl)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000096184404 431941450 /nfs/dbraw/zinc/94/14/50/431941450.db2.gz PSYLNHTXOCUOBA-JKSUJKDBSA-N 1 0 304.821 3.039 40 0 DGABRO COC[C@@H]1CCC2(CCN(Cc3ccc(C)s3)CC2)[N@@H+]1C ZINC000096209487 431942293 /nfs/dbraw/zinc/94/22/93/431942293.db2.gz BVXIXKAOTBMVRM-HNNXBMFYSA-N 1 0 308.491 3.132 40 0 DGABRO c1cncc(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000096206264 431942662 /nfs/dbraw/zinc/94/26/62/431942662.db2.gz BEIMRGDGEHUNEK-UXHICEINSA-N 1 0 323.440 3.296 40 0 DGABRO c1coc(C[NH+]2CCC3(C[C@H](OCC4CCC4)CO3)CC2)c1 ZINC000096207062 431942772 /nfs/dbraw/zinc/94/27/72/431942772.db2.gz QFJNBRDTAJTAAW-KRWDZBQOSA-N 1 0 305.418 3.220 40 0 DGABRO c1cc(C[NH+]2CCC3(C[C@@H](Oc4ccccc4)CO3)CC2)co1 ZINC000096221804 431943177 /nfs/dbraw/zinc/94/31/77/431943177.db2.gz MBAAOHOKCCPJOF-GOSISDBHSA-N 1 0 313.397 3.482 40 0 DGABRO c1ccc(OCCN2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000096216428 431943183 /nfs/dbraw/zinc/94/31/83/431943183.db2.gz ISSDFMOQFUVOFQ-FQEVSTJZSA-N 1 0 314.473 3.263 40 0 DGABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccoc3)CC2)N1CC1CC1 ZINC000096217933 431943224 /nfs/dbraw/zinc/94/32/24/431943224.db2.gz IYTFSWPVZVUGND-SFHVURJKSA-N 1 0 302.418 3.037 40 0 DGABRO c1ccc(-c2ncc3c(n2)[C@]2(CC[N@@H+](CC4CC4)C2)COC3)cc1 ZINC000096244357 431944185 /nfs/dbraw/zinc/94/41/85/431944185.db2.gz SXROBPKSLAQVCO-FQEVSTJZSA-N 1 0 321.424 3.027 40 0 DGABRO Cc1cccc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)n1 ZINC000096255161 281217802 /nfs/dbraw/zinc/21/78/02/281217802.db2.gz JKAVLBMLFPJZSO-UHFFFAOYSA-N 1 0 320.396 3.041 40 0 DGABRO Cc1cnc(N2CCC3(C[C@H]([NH+](C)C)c4ccccc43)CC2)nc1 ZINC000096079193 281600042 /nfs/dbraw/zinc/60/00/42/281600042.db2.gz XVNTZBSHYWDDQQ-SFHVURJKSA-N 1 0 322.456 3.330 40 0 DGABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000153837240 432448406 /nfs/dbraw/zinc/44/84/06/432448406.db2.gz SPFCJUDIGXHEJN-INIZCTEOSA-N 1 0 302.462 3.368 40 0 DGABRO Cc1cc2cc(C(=O)N3CC[C@H]4[NH2+]CCCC[C@H]4C3)ccc2o1 ZINC000257219687 432418196 /nfs/dbraw/zinc/41/81/96/432418196.db2.gz DHRQLMBGMJIQHJ-DOTOQJQBSA-N 1 0 312.413 3.345 40 0 DGABRO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257209457 432418965 /nfs/dbraw/zinc/41/89/65/432418965.db2.gz BQKZMEPUQOCHLP-OAHLLOKOSA-N 1 0 324.432 3.115 40 0 DGABRO [NH3+]C[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000257226891 432421324 /nfs/dbraw/zinc/42/13/24/432421324.db2.gz FMQDMQUOYGUJQW-KBAYOESNSA-N 1 0 300.446 3.158 40 0 DGABRO c1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@H](c3ccncn3)C1)CO2 ZINC000257251698 432422276 /nfs/dbraw/zinc/42/22/76/432422276.db2.gz JRVIUOWKYYOHDP-QGZVFWFLSA-N 1 0 307.397 3.132 40 0 DGABRO Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3ccsc3)C2)[nH+]1 ZINC000257244974 432422862 /nfs/dbraw/zinc/42/28/62/432422862.db2.gz INOJOSKZIXXDJM-ZDUSSCGKSA-N 1 0 315.442 3.147 40 0 DGABRO Cc1nc(Nc2nccs2)cc([C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000257250630 432423132 /nfs/dbraw/zinc/42/31/32/432423132.db2.gz JNJCEOVOFGZEFW-GFCCVEGCSA-N 1 0 303.435 3.183 40 0 DGABRO Cc1c(C[NH+]2CCC(Cc3cnc4[nH]ccc4c3)CC2)cnn1C ZINC000257264391 432423791 /nfs/dbraw/zinc/42/37/91/432423791.db2.gz LUDSCLMMJMDYRJ-UHFFFAOYSA-N 1 0 323.444 3.060 40 0 DGABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2cccc(F)c2)C1 ZINC000225736387 432695325 /nfs/dbraw/zinc/69/53/25/432695325.db2.gz VQOCULDKMHEYTP-ZDUSSCGKSA-N 1 0 309.454 3.234 40 0 DGABRO C1CCC(O[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@@H]3CCCC[C@@H]32)C1 ZINC000225714712 432695511 /nfs/dbraw/zinc/69/55/11/432695511.db2.gz ARUFQWJKFOKKNK-YDZRNGNQSA-N 1 0 306.494 3.473 40 0 DGABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(F)cc2)C1 ZINC000225735997 432696026 /nfs/dbraw/zinc/69/60/26/432696026.db2.gz UTRFZNGOVMJCFQ-ZDUSSCGKSA-N 1 0 309.454 3.234 40 0 DGABRO Cc1ccc(C(=O)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC000225003027 432684866 /nfs/dbraw/zinc/68/48/66/432684866.db2.gz RYOGOAXTUGAWAZ-OKILXGFUSA-N 1 0 308.853 3.356 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccccc1F ZINC000225448462 432690892 /nfs/dbraw/zinc/69/08/92/432690892.db2.gz QTBHFASZZLWKCL-INIZCTEOSA-N 1 0 306.425 3.139 40 0 DGABRO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000331523008 432946505 /nfs/dbraw/zinc/94/65/05/432946505.db2.gz KNVRMPUKIQNPCE-BQGCOEIASA-N 1 0 319.424 3.046 40 0 DGABRO CC(C)c1cc(N2CCc3ccccc3C2)nc(NC2CC2)[nH+]1 ZINC000329033708 434351050 /nfs/dbraw/zinc/35/10/50/434351050.db2.gz QUURCYWSBLARBV-UHFFFAOYSA-N 1 0 308.429 3.737 40 0 DGABRO Nc1ncnc(N2CCC[C@@H]2Cc2ccc(F)cc2)c1Cl ZINC000582368003 324221715 /nfs/dbraw/zinc/22/17/15/324221715.db2.gz QRKMKOZASOIHFX-GFCCVEGCSA-N 1 0 306.772 3.063 40 0 DGABRO O=C1CC[C@@]2(CCC[N@H+](CCc3ccccc3)CC2)N1CCF ZINC000585100631 547024805 /nfs/dbraw/zinc/02/48/05/547024805.db2.gz QRZQGHYACNUBPA-LJQANCHMSA-N 1 0 318.436 3.046 40 0 DGABRO Cc1ccc(C)c(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228937059 563914598 /nfs/dbraw/zinc/91/45/98/563914598.db2.gz GFYZDXOMVROCMZ-UHFFFAOYSA-N 1 0 322.416 3.111 40 0 DGABRO CC(C)(C)OC(=O)N1CCC([C@@H]([NH3+])c2cccc(F)c2)CC1 ZINC000255189868 563927791 /nfs/dbraw/zinc/92/77/91/563927791.db2.gz SQJIQYIZUVCQEX-OAHLLOKOSA-N 1 0 308.397 3.473 40 0 DGABRO O=C(NC1CCCC1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000033428934 1193482112 /nfs/dbraw/zinc/48/21/12/1193482112.db2.gz BMLMXNQZHFMXJN-UHFFFAOYSA-N 1 0 314.473 3.390 40 0 DGABRO CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CC[NH2+]C[C@@H]1CCO2 ZINC001534646914 1187912730 /nfs/dbraw/zinc/91/27/30/1187912730.db2.gz WDOKSHNKBAAYQC-GJZGRUSLSA-N 1 0 302.418 3.147 40 0 DGABRO c1ccc2c(c1)C=CO[C@H]2C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000026895347 1193864585 /nfs/dbraw/zinc/86/45/85/1193864585.db2.gz IGNDBFYZORRAOJ-BEFAXECRSA-N 1 0 309.365 3.158 40 0 DGABRO CC[NH+](CC)CCCNc1nnc(-c2ccc(F)cc2)s1 ZINC000028242204 1193871943 /nfs/dbraw/zinc/87/19/43/1193871943.db2.gz AAAVTWZCOMGWFP-UHFFFAOYSA-N 1 0 308.426 3.488 40 0 DGABRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2[NH2+]Cc1ccccc1 ZINC000077031816 185073453 /nfs/dbraw/zinc/07/34/53/185073453.db2.gz HFIAICRLCXYAAE-JYJNAYRXSA-N 1 0 302.418 3.174 40 0 DGABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CC2)CC1 ZINC000100750189 282251803 /nfs/dbraw/zinc/25/18/03/282251803.db2.gz MTCCMEDODPNOBJ-DAYGRLMNSA-N 1 0 315.461 3.017 40 0 DGABRO C[C@@H](O)C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008535095 190632057 /nfs/dbraw/zinc/63/20/57/190632057.db2.gz WSBRWFWCLXFYIV-CYBMUJFWSA-N 1 0 305.805 3.389 40 0 DGABRO C[C@@H](c1ccccn1)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000072203849 191075391 /nfs/dbraw/zinc/07/53/91/191075391.db2.gz AYFNPRZQJBDNGG-ZDUSSCGKSA-N 1 0 305.422 3.132 40 0 DGABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000225587048 186280357 /nfs/dbraw/zinc/28/03/57/186280357.db2.gz QDTAPUFXMPCNIM-UHFFFAOYSA-N 1 0 318.339 3.298 40 0 DGABRO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000225633916 186285696 /nfs/dbraw/zinc/28/56/96/186285696.db2.gz GZVDQDMFUHATQR-INIZCTEOSA-N 1 0 314.473 3.417 40 0 DGABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Br)s1 ZINC000072324499 191123540 /nfs/dbraw/zinc/12/35/40/191123540.db2.gz DHYMOBDSLLFTKQ-QWRGUYRKSA-N 1 0 315.280 3.179 40 0 DGABRO Cn1cc(C[N@@H+]2CC[C@H](Cc3ccc4ncccc4c3)C2)cn1 ZINC000072368002 191137266 /nfs/dbraw/zinc/13/72/66/191137266.db2.gz GFBBLBNPRYJLGH-MRXNPFEDSA-N 1 0 306.413 3.033 40 0 DGABRO CC(C)[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)nc3nccn32)C1 ZINC000072367731 191137564 /nfs/dbraw/zinc/13/75/64/191137564.db2.gz HRSKUXJPFMWQGC-NSHDSACASA-N 1 0 312.339 3.336 40 0 DGABRO Cn1cc(C[N@@H+]2CC[C@H](Cc3cccc4cccnc43)C2)cn1 ZINC000072368004 191137593 /nfs/dbraw/zinc/13/75/93/191137593.db2.gz YUIUWTITHFEOKP-OAHLLOKOSA-N 1 0 306.413 3.033 40 0 DGABRO CC(C)[NH+]1CCC(c2cc(C(F)(F)F)nc3nccn32)CC1 ZINC000072367728 191137091 /nfs/dbraw/zinc/13/70/91/191137091.db2.gz QFYPBGHNJOKIED-UHFFFAOYSA-N 1 0 312.339 3.336 40 0 DGABRO Cc1cccnc1Nc1cncc([C@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000072376296 191139756 /nfs/dbraw/zinc/13/97/56/191139756.db2.gz SGAQDXHPPYBQQI-MRXNPFEDSA-N 1 0 309.417 3.471 40 0 DGABRO CN(C(=O)c1cc([C@@H]2CCC[N@H+](C)C2)ccn1)C1CCCCC1 ZINC000072387122 191145066 /nfs/dbraw/zinc/14/50/66/191145066.db2.gz POJXOKGUCXFOIB-MRXNPFEDSA-N 1 0 315.461 3.296 40 0 DGABRO Cc1ccccc1C[N@@H+]1CC[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000072389921 191147858 /nfs/dbraw/zinc/14/78/58/191147858.db2.gz PHZAFEFRMRWEBN-KRWDZBQOSA-N 1 0 320.396 3.430 40 0 DGABRO COc1cccc(C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)c1 ZINC000072414097 191155438 /nfs/dbraw/zinc/15/54/38/191155438.db2.gz NYCIPDBDRKTVRS-UHFFFAOYSA-N 1 0 307.353 3.386 40 0 DGABRO COc1ccc(C[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000004160543 181079688 /nfs/dbraw/zinc/07/96/88/181079688.db2.gz HBAZNCNFRQBRTR-UHFFFAOYSA-N 1 0 322.408 3.443 40 0 DGABRO CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1Cc1c[nH]c2ccccc12 ZINC000004777919 181151120 /nfs/dbraw/zinc/15/11/20/181151120.db2.gz DMMAXFGKSUUAIY-GOSISDBHSA-N 1 0 313.445 3.391 40 0 DGABRO CC(C)[C@H]1CCC[C@H](C)[C@H]1[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000004825141 181157193 /nfs/dbraw/zinc/15/71/93/181157193.db2.gz SBOOCUVWKAXDSY-BMGDILEWSA-N 1 0 318.461 3.476 40 0 DGABRO CCCC[NH2+]CC(=O)Nc1ccccc1N1CCCCCC1 ZINC000004895896 181169163 /nfs/dbraw/zinc/16/91/63/181169163.db2.gz NXBJRHIYJQOGFZ-UHFFFAOYSA-N 1 0 303.450 3.395 40 0 DGABRO CC[NH+](CC)C[C@@H](O)CCNc1ccnc2cc(Cl)ccc21 ZINC000005573151 181258553 /nfs/dbraw/zinc/25/85/53/181258553.db2.gz ZUMBGWGMKFFGGB-AWEZNQCLSA-N 1 0 321.852 3.393 40 0 DGABRO [NH3+]CCc1c2cc(Br)ccc2[nH]c1-c1ccccn1 ZINC000006732125 181379184 /nfs/dbraw/zinc/37/91/84/181379184.db2.gz WIRIYTHTXSEUKK-UHFFFAOYSA-N 1 0 316.202 3.494 40 0 DGABRO COc1ccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCC[NH2+][C@@H]23)cc1 ZINC000257225057 202959767 /nfs/dbraw/zinc/95/97/67/202959767.db2.gz FEPRSOXUTWIYQW-ACRUOGEOSA-N 1 0 322.452 3.415 40 0 DGABRO CCn1nccc1-c1cc(C)nc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257278502 203005382 /nfs/dbraw/zinc/00/53/82/203005382.db2.gz OCMNUCYQEIVRFK-OAHLLOKOSA-N 1 0 313.449 3.256 40 0 DGABRO Cn1ncc2ccc([C@@H]3CCC[N@H+](Cc4cccs4)C3)nc21 ZINC000257328723 203052270 /nfs/dbraw/zinc/05/22/70/203052270.db2.gz XGVSOIWORJMOHZ-CQSZACIVSA-N 1 0 312.442 3.409 40 0 DGABRO Cc1ccc(CN2CCC[C@H]2c2nccc(C[NH+](C)C)n2)s1 ZINC000257336987 203057747 /nfs/dbraw/zinc/05/77/47/203057747.db2.gz YQXJQEMCDREPDO-INIZCTEOSA-N 1 0 316.474 3.245 40 0 DGABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)ccc1OC ZINC000008254353 181540630 /nfs/dbraw/zinc/54/06/30/181540630.db2.gz UUCDGKPUWWCDDB-UHFFFAOYSA-N 1 0 315.413 3.435 40 0 DGABRO Cc1csc([C@@H](Cc2cccs2)[NH2+]C[C@@H]2CCOC2)n1 ZINC000019240062 182111941 /nfs/dbraw/zinc/11/19/41/182111941.db2.gz AYVYFHARSMCODH-GXTWGEPZSA-N 1 0 308.472 3.423 40 0 DGABRO O=c1cc([C@H]2CCCC[N@@H+]2C2CCCC2)nc(-c2ccncc2)[nH]1 ZINC000019405823 182121965 /nfs/dbraw/zinc/12/19/65/182121965.db2.gz LURMFGAJCMKYGX-QGZVFWFLSA-N 1 0 324.428 3.302 40 0 DGABRO CCOC(=O)C1(Cc2ccccc2-c2ccncc2)CC[NH2+]CC1 ZINC000019530221 182128350 /nfs/dbraw/zinc/12/83/50/182128350.db2.gz NPZZXDVCFHMLNC-UHFFFAOYSA-N 1 0 324.424 3.224 40 0 DGABRO C[C@@H]1C[N@@H+](Cc2c3ncccc3[nH]c2-c2cccnc2)C[C@H](C)O1 ZINC000019717970 182137814 /nfs/dbraw/zinc/13/78/14/182137814.db2.gz YHHNBMRJYBQORH-OKILXGFUSA-N 1 0 322.412 3.234 40 0 DGABRO Cc1cc(N2CCC[C@@H]2c2nc3ccccc3s2)nc(N)[nH+]1 ZINC000019656913 182134440 /nfs/dbraw/zinc/13/44/40/182134440.db2.gz JHHPATRJUVUARB-GFCCVEGCSA-N 1 0 311.414 3.318 40 0 DGABRO O=C(Nc1cccc(-n2cccn2)c1)C1C[NH+](C2CCCCC2)C1 ZINC000019747578 182143037 /nfs/dbraw/zinc/14/30/37/182143037.db2.gz MPKQXBPNWDTKHE-UHFFFAOYSA-N 1 0 324.428 3.075 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(OC)cc1 ZINC000020035781 182182390 /nfs/dbraw/zinc/18/23/90/182182390.db2.gz CMUNXPMAEGPTDA-QGZVFWFLSA-N 1 0 318.461 3.009 40 0 DGABRO O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257213455 296212148 /nfs/dbraw/zinc/21/21/48/296212148.db2.gz CHQXUMZKIUMKKD-SWLSCSKDSA-N 1 0 310.800 3.083 40 0 DGABRO O[C@@]1(c2ccc(F)cc2)CN(c2ccccc2)C2=[N+]1CCCC2 ZINC000022407041 182321079 /nfs/dbraw/zinc/32/10/79/182321079.db2.gz ONEAJCQTKHDJCL-LJQANCHMSA-N 1 0 311.380 3.086 40 0 DGABRO Cc1ccc([C@@H](Cc2ccccc2)[NH2+]CCN2CCOCC2)cc1 ZINC000022875090 182339480 /nfs/dbraw/zinc/33/94/80/182339480.db2.gz JPWJDMZLHLFVQL-OAQYLSRUSA-N 1 0 324.468 3.201 40 0 DGABRO CCn1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c(C)n1 ZINC000057810998 184055546 /nfs/dbraw/zinc/05/55/46/184055546.db2.gz HZARDKOLRPWLDH-LJQANCHMSA-N 1 0 313.445 3.393 40 0 DGABRO COCCc1ncc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)cn1 ZINC000057823138 184055681 /nfs/dbraw/zinc/05/56/81/184055681.db2.gz QULDFUHSGDXSMF-UHFFFAOYSA-N 1 0 317.820 3.098 40 0 DGABRO Fc1ccccc1NC(=S)NCCC[NH+]1CCCCCC1 ZINC000061247035 184166557 /nfs/dbraw/zinc/16/65/57/184166557.db2.gz OFYQGIMMPJEXPG-UHFFFAOYSA-N 1 0 309.454 3.378 40 0 DGABRO Cc1ccc(C(C)C)c(OCC(=O)NCCC[NH+]2CCCC2)c1 ZINC000061547482 184174370 /nfs/dbraw/zinc/17/43/70/184174370.db2.gz UQJZKEVQMNWGPY-UHFFFAOYSA-N 1 0 318.461 3.099 40 0 DGABRO [NH3+]CC1(c2cc(-c3ccc(Br)cc3)on2)CCC1 ZINC000072220673 257124484 /nfs/dbraw/zinc/12/44/84/257124484.db2.gz WPQUUQOCWMRFJF-UHFFFAOYSA-N 1 0 307.191 3.485 40 0 DGABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216184 257125223 /nfs/dbraw/zinc/12/52/23/257125223.db2.gz BEMVNOXOZXOOQZ-QGZVFWFLSA-N 1 0 303.450 3.101 40 0 DGABRO COCC[N@@H+]1CCC[C@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100824 400125522 /nfs/dbraw/zinc/12/55/22/400125522.db2.gz YCRTWBVHFSDOAQ-IBGZPJMESA-N 1 0 322.493 3.060 40 0 DGABRO c1ccc(CO[C@H]2CSC3(C[NH+](CC4CCCC4)C3)C2)nc1 ZINC000585103228 400125788 /nfs/dbraw/zinc/12/57/88/400125788.db2.gz AFGFAMASCRLJCS-QGZVFWFLSA-N 1 0 318.486 3.348 40 0 DGABRO c1csc(C[NH+]2CC3(C2)C[C@@H](Oc2cccnc2)CS3)c1 ZINC000585104656 400125980 /nfs/dbraw/zinc/12/59/80/400125980.db2.gz KICKCCXMMSBHGF-CQSZACIVSA-N 1 0 318.467 3.282 40 0 DGABRO c1ccc(OCC[C@@H]2CCOC23CC[NH+](C2CCC2)CC3)nc1 ZINC000585105257 400126216 /nfs/dbraw/zinc/12/62/16/400126216.db2.gz RPFFDTNBQMONSA-MRXNPFEDSA-N 1 0 316.445 3.274 40 0 DGABRO COCC[C@H]1CCOC12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000585102959 400126220 /nfs/dbraw/zinc/12/62/20/400126220.db2.gz MMHKGTBRCZTBGH-HNNXBMFYSA-N 1 0 309.475 3.464 40 0 DGABRO CCc1nc(C)c(C[N@@H+]2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)[nH]1 ZINC000585286458 400129894 /nfs/dbraw/zinc/12/98/94/400129894.db2.gz QTQAWLVZSJZORW-KBXCAEBGSA-N 1 0 305.466 3.450 40 0 DGABRO COc1cccc2cc(CN3CC[C@H]4[NH2+]CCCC[C@H]43)oc21 ZINC000019712466 400186083 /nfs/dbraw/zinc/18/60/83/400186083.db2.gz NIXNLIXFZQPZCX-HZPDHXFCSA-N 1 0 300.402 3.158 40 0 DGABRO C1CCC(O[C@H]2CCCC[C@H]2[N@@H+]2CCN[C@@H]3CCCC[C@@H]32)C1 ZINC000225714793 400960276 /nfs/dbraw/zinc/96/02/76/400960276.db2.gz ARUFQWJKFOKKNK-HCXYKTFWSA-N 1 0 306.494 3.473 40 0 DGABRO CCOCCC[NH2+]CC(=O)N1c2ccccc2[C@H](C)CC1(C)C ZINC000035311381 286070288 /nfs/dbraw/zinc/07/02/88/286070288.db2.gz PFIUHNMLLRHOAR-OAHLLOKOSA-N 1 0 318.461 3.322 40 0 DGABRO COc1cc(C)c(C[NH+]2CCN(c3ccccc3)CC2)c(C)n1 ZINC000359227578 286264961 /nfs/dbraw/zinc/26/49/61/286264961.db2.gz LSIOHUNOLACLGU-UHFFFAOYSA-N 1 0 311.429 3.029 40 0 DGABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000072370210 277019632 /nfs/dbraw/zinc/01/96/32/277019632.db2.gz CMEYGQKQGDAWAL-GFCCVEGCSA-N 1 0 302.443 3.459 40 0 DGABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000306126504 279071398 /nfs/dbraw/zinc/07/13/98/279071398.db2.gz DXYXWGQRMXXEKY-OAHLLOKOSA-N 1 0 300.446 3.054 40 0 DGABRO CC[NH+](CC)CC[C@]12C[C@H](C)OC1=Nc1ccccc1NC2=O ZINC000001609118 279113579 /nfs/dbraw/zinc/11/35/79/279113579.db2.gz PYBOAHCWXQSJAD-SCLBCKFNSA-N 1 0 315.417 3.196 40 0 DGABRO CCN(CC)C(=O)c1cc[n+](Cc2ccc(Cl)cc2)cc1 ZINC000001726167 431234914 /nfs/dbraw/zinc/23/49/14/431234914.db2.gz NGPIIFJMGPCWSQ-UHFFFAOYSA-N 1 0 303.813 3.158 40 0 DGABRO O=C(CC[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000001710819 431235878 /nfs/dbraw/zinc/23/58/78/431235878.db2.gz NHQUCELQNYNWER-UHFFFAOYSA-N 1 0 323.436 3.368 40 0 DGABRO CCN(CC)C(=O)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000001664922 431235933 /nfs/dbraw/zinc/23/59/33/431235933.db2.gz AOELDYCMISDYBB-UHFFFAOYSA-N 1 0 313.445 3.248 40 0 DGABRO Cc1cc(NCC[NH+](C)C)nc(Nc2ccc(Cl)cc2)n1 ZINC000001687218 431236026 /nfs/dbraw/zinc/23/60/26/431236026.db2.gz YIPYIUZKSAVEHB-UHFFFAOYSA-N 1 0 305.813 3.156 40 0 DGABRO CCCCCOC(=O)c1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1 ZINC000001671736 431236521 /nfs/dbraw/zinc/23/65/21/431236521.db2.gz CSYIVHQALOBGRV-UHFFFAOYSA-N 1 0 320.433 3.360 40 0 DGABRO CC[NH2+][C@@H]([C@@H](C)OC(=O)c1ccc(N)cc1)C1CCCCC1 ZINC000001711722 431237500 /nfs/dbraw/zinc/23/75/00/431237500.db2.gz AAHFSQZVCCRFLB-DYVFJYSZSA-N 1 0 304.434 3.373 40 0 DGABRO CC(=O)OCCC[n+]1c(C)n(C)c2cc(Cl)c(Cl)cc21 ZINC000001881698 431241027 /nfs/dbraw/zinc/24/10/27/431241027.db2.gz CTQAOSQOPCSSKT-UHFFFAOYSA-N 1 0 316.208 3.034 40 0 DGABRO CC(C)C[C@@](CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccccn1 ZINC000002016048 431242738 /nfs/dbraw/zinc/24/27/38/431242738.db2.gz ZZOZYGHXNQPIPS-LJQANCHMSA-N 1 0 319.493 3.360 40 0 in-man DGABRO CC(C)(C)OC(=O)N1CCC([C@@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000071664298 431282304 /nfs/dbraw/zinc/28/23/04/431282304.db2.gz JBCLRJCZCCDPHU-HNNXBMFYSA-N 1 0 308.397 3.473 40 0 DGABRO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000008011590 431373592 /nfs/dbraw/zinc/37/35/92/431373592.db2.gz DSMNATTURQWZMB-UHFFFAOYSA-N 1 0 324.424 3.221 40 0 DGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(Cl)cc2)C1 ZINC000010542839 431464202 /nfs/dbraw/zinc/46/42/02/431464202.db2.gz UGXOMHIGGYIGMX-OKILXGFUSA-N 1 0 308.853 3.438 40 0 DGABRO CC(C)(C)c1[nH]c2ncccc2c1C[N@@H+]1CCC[C@H](CO)C1 ZINC000012219883 431496778 /nfs/dbraw/zinc/49/67/78/431496778.db2.gz WWQKBIWAJIGZDD-ZDUSSCGKSA-N 1 0 301.434 3.065 40 0 DGABRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2(c3ccccc3F)CC2)C1 ZINC000012199483 431496792 /nfs/dbraw/zinc/49/67/92/431496792.db2.gz YSMQHTGOINIPRT-HNNXBMFYSA-N 1 0 318.436 3.094 40 0 DGABRO OC[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2C2CCCC2)C1 ZINC000013266550 431551755 /nfs/dbraw/zinc/55/17/55/431551755.db2.gz APEUHSUJFXJLLX-CQSZACIVSA-N 1 0 313.445 3.425 40 0 DGABRO Cc1ccc(C)c(O[C@H](C)C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000013710898 431567641 /nfs/dbraw/zinc/56/76/41/431567641.db2.gz FQAXTQWXVFEILA-QGZVFWFLSA-N 1 0 318.461 3.063 40 0 DGABRO Cc1nn(C)cc1-c1cncn1[C@H](CC[NH+](C)C)c1ccccc1 ZINC000019719507 431619781 /nfs/dbraw/zinc/61/97/81/431619781.db2.gz XUJJFLCJYCEQEV-GOSISDBHSA-N 1 0 323.444 3.133 40 0 DGABRO C[C@H]1C[C@@H](CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC(C)(C)C1 ZINC000078570638 431682931 /nfs/dbraw/zinc/68/29/31/431682931.db2.gz NIUIYONNBJSBMH-BHYGNILZSA-N 1 0 306.494 3.439 40 0 DGABRO O=C(Nc1cccc(Cl)c1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932261 431697526 /nfs/dbraw/zinc/69/75/26/431697526.db2.gz VAUQIZLZRUGCKA-SNVBAGLBSA-N 1 0 314.216 3.305 40 0 DGABRO COc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000028235408 431703977 /nfs/dbraw/zinc/70/39/77/431703977.db2.gz PDELKVMJYMNUGE-GOSISDBHSA-N 1 0 310.397 3.298 40 0 DGABRO CC(=O)N1CCc2ccccc2[C@@H]1[C@H]1[NH2+]CCc2ccccc21 ZINC000031750745 431764545 /nfs/dbraw/zinc/76/45/45/431764545.db2.gz AVKSIFQMKNTASD-VQTJNVASSA-N 1 0 306.409 3.019 40 0 DGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1F ZINC000032461944 431779870 /nfs/dbraw/zinc/77/98/70/431779870.db2.gz WADMFECENQXNKQ-UHFFFAOYSA-N 1 0 312.388 3.352 40 0 DGABRO C[C@H]([NH2+]C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000035313700 431830100 /nfs/dbraw/zinc/83/01/00/431830100.db2.gz FGYNLHYPJDPKLK-DOTOQJQBSA-N 1 0 324.424 3.449 40 0 DGABRO O=C(C[NH2+]Cc1ccccc1)Nc1ccccc1N1CCCCC1 ZINC000035311484 431831256 /nfs/dbraw/zinc/83/12/56/431831256.db2.gz MIGHHGDAKSEQFV-UHFFFAOYSA-N 1 0 323.440 3.405 40 0 DGABRO O=C(C[NH2+]C1CCCC1)Nc1ccccc1N1CCCCC1 ZINC000035311481 431831357 /nfs/dbraw/zinc/83/13/57/431831357.db2.gz SVEJDCPTXALLPG-UHFFFAOYSA-N 1 0 301.434 3.148 40 0 DGABRO CC(C)(C)OC(=O)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC000096029494 431934526 /nfs/dbraw/zinc/93/45/26/431934526.db2.gz BAGWEWPBGJWFBL-UHFFFAOYSA-N 1 0 308.397 3.097 40 0 DGABRO Cc1ccc(C[NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)s1 ZINC000096046876 431935708 /nfs/dbraw/zinc/93/57/08/431935708.db2.gz VDDZMSBGKWQWMR-UHFFFAOYSA-N 1 0 318.486 3.281 40 0 DGABRO Cc1ccc(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)s1 ZINC000096061776 431936887 /nfs/dbraw/zinc/93/68/87/431936887.db2.gz QJDMXQQQHBZWBB-UHFFFAOYSA-N 1 0 318.490 3.109 40 0 DGABRO c1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1 ZINC000049169551 431937340 /nfs/dbraw/zinc/93/73/40/431937340.db2.gz QMPFWHKCFMDKGE-INIZCTEOSA-N 1 0 306.369 3.121 40 0 biogenic,in-vitro DGABRO Cc1ccc(CN2CC[C@]3(c4ccccc4)CC[N@@H+](C)[C@@H]3C2)o1 ZINC000096100377 431937549 /nfs/dbraw/zinc/93/75/49/431937549.db2.gz KPSAMBPHSBLLJS-UXHICEINSA-N 1 0 310.441 3.436 40 0 DGABRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4ccoc4)C3)CC2=O)s1 ZINC000096077962 431937558 /nfs/dbraw/zinc/93/75/58/431937558.db2.gz CGZBQHBPIDFFRO-QGZVFWFLSA-N 1 0 316.426 3.279 40 0 DGABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)[C@@H]3c2ccccc2)o1 ZINC000096100243 431937970 /nfs/dbraw/zinc/93/79/70/431937970.db2.gz QRVOZRGYSFUXSM-GOSISDBHSA-N 1 0 324.424 3.384 40 0 DGABRO COC[C@H]1Cn2cncc2C[N@H+](Cc2cccc3ccccc32)C1 ZINC000096217327 431942645 /nfs/dbraw/zinc/94/26/45/431942645.db2.gz USXTUELYOGRYDB-MRXNPFEDSA-N 1 0 321.424 3.315 40 0 DGABRO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(C)C)C3)c(C)o1 ZINC000096215286 431942945 /nfs/dbraw/zinc/94/29/45/431942945.db2.gz BGUCKWGITLXTNO-LJQANCHMSA-N 1 0 318.461 3.481 40 0 DGABRO c1ccc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)nc1 ZINC000096200782 431943110 /nfs/dbraw/zinc/94/31/10/431943110.db2.gz MHBPNDQUINLXBB-PMACEKPBSA-N 1 0 323.440 3.089 40 0 DGABRO CC[C@H]([C@H]([NH3+])c1ccc(Cl)cc1Cl)S(=O)(=O)CC ZINC000096524973 431955563 /nfs/dbraw/zinc/95/55/63/431955563.db2.gz XEEZPNJADUHREE-VXGBXAGGSA-N 1 0 310.246 3.207 40 0 DGABRO Cc1ccc(CN2CC[C@@]3(c4ccccc4)CC[N@@H+](C)[C@H]3C2)o1 ZINC000248122918 432270533 /nfs/dbraw/zinc/27/05/33/432270533.db2.gz KPSAMBPHSBLLJS-VQTJNVASSA-N 1 0 310.441 3.436 40 0 DGABRO CCN1CCC[C@@H]1C[N@@H+](Cc1cccs1)C[C@H]1CCOC1 ZINC000249697134 432353625 /nfs/dbraw/zinc/35/36/25/432353625.db2.gz UKUKYVWIMRXJCB-HZPDHXFCSA-N 1 0 308.491 3.071 40 0 DGABRO CNc1nccc([C@H]2CCCC[N@@H+]2Cc2ccc(OC)cc2)n1 ZINC000257220265 432417956 /nfs/dbraw/zinc/41/79/56/432417956.db2.gz DKFFIMIDBABFCA-QGZVFWFLSA-N 1 0 312.417 3.254 40 0 DGABRO Cc1csc(Nc2cc(C)nc([C@@H]3CCC[N@@H+](C)C3)n2)n1 ZINC000257209391 432418088 /nfs/dbraw/zinc/41/80/88/432418088.db2.gz BQECITBXRFDPKL-GFCCVEGCSA-N 1 0 303.435 3.103 40 0 DGABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3ccsc3)C2)c1 ZINC000257236358 432419629 /nfs/dbraw/zinc/41/96/29/432419629.db2.gz HBUCYDMCMFFFRM-GFCCVEGCSA-N 1 0 301.415 3.123 40 0 DGABRO c1cc2cc(CC3CC[NH+](Cc4cccnc4)CC3)cnc2[nH]1 ZINC000257235448 432419716 /nfs/dbraw/zinc/41/97/16/432419716.db2.gz GXWRMDXZEFLXGC-UHFFFAOYSA-N 1 0 306.413 3.413 40 0 DGABRO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cn(C)c4ccccc34)C2)n1 ZINC000257234966 432420164 /nfs/dbraw/zinc/42/01/64/432420164.db2.gz GVUSMAYNLZYKPL-OAHLLOKOSA-N 1 0 306.413 3.266 40 0 DGABRO CC(C)[NH+]1CCC(c2cccc(N3C[C@@H](C)OC3=O)n2)CC1 ZINC000257223847 432421246 /nfs/dbraw/zinc/42/12/46/432421246.db2.gz DZEOIJKPRDIARC-CYBMUJFWSA-N 1 0 303.406 3.015 40 0 DGABRO [NH3+][C@@H]1CCC[C@@H](Oc2cccc(F)c2Oc2ccccc2)[C@@H]1O ZINC000257227751 432421385 /nfs/dbraw/zinc/42/13/85/432421385.db2.gz FQSQWTAHJIZEQS-BFYDXBDKSA-N 1 0 317.360 3.238 40 0 DGABRO c1cc(C[C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000257246449 432422060 /nfs/dbraw/zinc/42/20/60/432422060.db2.gz IUEUALPPSSKHED-OAHLLOKOSA-N 1 0 306.413 3.413 40 0 DGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)cn3C)C2)c(F)c1 ZINC000257240615 432422926 /nfs/dbraw/zinc/42/29/26/432422926.db2.gz HUIHIKTYEBGZAW-OAHLLOKOSA-N 1 0 317.408 3.256 40 0 DGABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C)C2)c1F ZINC000257238101 432423262 /nfs/dbraw/zinc/42/32/62/432423262.db2.gz HJPDWEFNZYROFS-CQSZACIVSA-N 1 0 303.381 3.245 40 0 DGABRO Cn1cc(C[N@@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257239814 432423307 /nfs/dbraw/zinc/42/33/07/432423307.db2.gz HQXNUBLCMXLFDR-OAHLLOKOSA-N 1 0 306.413 3.033 40 0 DGABRO CCn1nccc1-c1cnc(C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257255914 432423318 /nfs/dbraw/zinc/42/33/18/432423318.db2.gz KJJUSHRAQHUNEV-HNNXBMFYSA-N 1 0 313.449 3.023 40 0 DGABRO CCOc1ccccc1C[NH+]1CCC2(CC1)OCCC[C@H]2OC ZINC000257267320 432423804 /nfs/dbraw/zinc/42/38/04/432423804.db2.gz MGUBIETZPCDYFH-GOSISDBHSA-N 1 0 319.445 3.245 40 0 DGABRO O=C1OC2(CN1c1cc([C@@H]3CCC[NH2+]C3)ccn1)CCCCC2 ZINC000257263200 432423873 /nfs/dbraw/zinc/42/38/73/432423873.db2.gz LOVXIFDQUHRPRB-OAHLLOKOSA-N 1 0 315.417 3.208 40 0 DGABRO c1cc2cc(C[C@H]3COCC[N@H+](Cc4cccnc4)C3)ccc2[nH]1 ZINC000257331910 432424314 /nfs/dbraw/zinc/42/43/14/432424314.db2.gz XUUITLPNWSKXAI-GOSISDBHSA-N 1 0 321.424 3.254 40 0 DGABRO COc1cccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000260732880 432426714 /nfs/dbraw/zinc/42/67/14/432426714.db2.gz CHZIOKDGTTXSCT-AWEZNQCLSA-N 1 0 321.490 3.104 40 0 DGABRO COc1ccccc1CCCNC(=S)Nc1ccncc1 ZINC000225551964 432694646 /nfs/dbraw/zinc/69/46/46/432694646.db2.gz OZUZDZHKPZQXRV-UHFFFAOYSA-N 1 0 301.415 3.009 40 0 DGABRO Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccncc2)cc1C ZINC000225792049 432697112 /nfs/dbraw/zinc/69/71/12/432697112.db2.gz BXERQWYQTUKNAJ-CQSZACIVSA-N 1 0 315.442 3.452 40 0 DGABRO COc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1Cl ZINC000222838151 432672674 /nfs/dbraw/zinc/67/26/74/432672674.db2.gz BUVVQQRXBBOTIP-UHFFFAOYSA-N 1 0 324.852 3.200 40 0 DGABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000225219744 432688086 /nfs/dbraw/zinc/68/80/86/432688086.db2.gz XIKJZCIZAXNCAY-MRXNPFEDSA-N 1 0 302.462 3.368 40 0 DGABRO [NH3+]C1(CNC(=O)c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000237838237 432802285 /nfs/dbraw/zinc/80/22/85/432802285.db2.gz LOONJCCUJYOMJH-UHFFFAOYSA-N 1 0 301.217 3.385 40 0 in-vitro DGABRO CC[C@@H](C)Nc1nc(NCc2cccc(C)c2)cc(C2CC2)[nH+]1 ZINC000328971292 434337012 /nfs/dbraw/zinc/33/70/12/434337012.db2.gz DPYPSWIKFQXREU-CQSZACIVSA-N 1 0 310.445 3.329 40 0 DGABRO O=C(C1CCCC1)N1CCCC[C@@H]2[NH2+]C[C@@H](c3ccccc3)[C@@H]21 ZINC000257204478 295443553 /nfs/dbraw/zinc/44/35/53/295443553.db2.gz AUTUKFXEBKEAJC-FHWLQOOXSA-N 1 0 312.457 3.313 40 0 DGABRO c1nc(C2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)c[nH]1 ZINC000371334907 434670870 /nfs/dbraw/zinc/67/08/70/434670870.db2.gz HRIRVGIFYJOPQJ-UHFFFAOYSA-N 1 0 307.401 3.179 40 0 DGABRO c1ccc(C[NH2+]CCc2nc([C@@H]3CCCSCC3)no2)cc1 ZINC000575415109 435036505 /nfs/dbraw/zinc/03/65/05/435036505.db2.gz RLNNVIMOXNWGQH-OAHLLOKOSA-N 1 0 317.458 3.403 40 0 DGABRO O=[N+]1C(c2ccccc2)=C(c2ccccc2)N(O)[C@@H]2CCCC[C@H]21 ZINC000100385081 304849398 /nfs/dbraw/zinc/84/93/98/304849398.db2.gz NTSVJVRLDPGQJC-QZTJIDSGSA-N 1 0 320.392 3.310 40 0 DGABRO COCCCC[C@H](NOCC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000584578361 337367552 /nfs/dbraw/zinc/36/75/52/337367552.db2.gz NXHOGYWLOTVOEL-KRWDZBQOSA-N 1 0 308.466 3.322 40 0 DGABRO FC(F)(F)Oc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1 ZINC000072265091 527674788 /nfs/dbraw/zinc/67/47/88/527674788.db2.gz XQLGEBIXFBDEJX-UHFFFAOYSA-N 1 0 313.279 3.102 40 0 DGABRO COc1cc(C[NH2+]Cc2ccc(F)s2)cc(OC)c1OC ZINC000256052839 575207707 /nfs/dbraw/zinc/20/77/07/575207707.db2.gz OWKJCPYDCSWGQK-UHFFFAOYSA-N 1 0 311.378 3.203 40 0 DGABRO CC(C)[C@H]([NH3+])c1nc(COc2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000095534792 185379344 /nfs/dbraw/zinc/37/93/44/185379344.db2.gz LQAJTDHLNPBDPY-HNNXBMFYSA-N 1 0 302.422 3.337 40 0 DGABRO CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079421023 185170841 /nfs/dbraw/zinc/17/08/41/185170841.db2.gz MZZDWAGQSSRJAG-ZDUSSCGKSA-N 1 0 302.340 3.037 40 0 DGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1c(F)cccc1Cl)C(C)C ZINC000079420403 185170903 /nfs/dbraw/zinc/17/09/03/185170903.db2.gz HYGFPBHBHJYMDH-AWEZNQCLSA-N 1 0 300.805 3.199 40 0 DGABRO C[NH2+][C@H]1CCCC[C@@H]1N(C(=O)OCc1ccccc1)C1CC1 ZINC000079437932 185171396 /nfs/dbraw/zinc/17/13/96/185171396.db2.gz WFOLKPOXBYICIS-IRXDYDNUSA-N 1 0 302.418 3.318 40 0 DGABRO C[NH2+][C@@H]1CCCC[C@H]1N(C(=O)OCc1ccccc1)C1CC1 ZINC000079437935 185171553 /nfs/dbraw/zinc/17/15/53/185171553.db2.gz WFOLKPOXBYICIS-IAGOWNOFSA-N 1 0 302.418 3.318 40 0 DGABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225618240 186283919 /nfs/dbraw/zinc/28/39/19/186283919.db2.gz JECRNGWWJCZHAT-GOSISDBHSA-N 1 0 322.449 3.161 40 0 DGABRO Cn1ccnc1C[N@@H+]1CC[C@H](Cc2cnc3ccccc3c2)C1 ZINC000072368075 191136488 /nfs/dbraw/zinc/13/64/88/191136488.db2.gz BZTWMVPVOKDBMO-OAHLLOKOSA-N 1 0 306.413 3.033 40 0 DGABRO Cc1csc(C2CCN(C(=O)[C@@]3(C)CCCC[N@H+]3C)CC2)n1 ZINC000072367313 191137361 /nfs/dbraw/zinc/13/73/61/191137361.db2.gz VOMCGPWXMFWPMR-QGZVFWFLSA-N 1 0 321.490 3.032 40 0 DGABRO Cc1ccc(-c2noc([C@H]3CC[N@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072369982 191139076 /nfs/dbraw/zinc/13/90/76/191139076.db2.gz ASGGXSIOFWYGLZ-KRWDZBQOSA-N 1 0 320.396 3.430 40 0 DGABRO c1ccc(-c2noc([C@H]3CC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072369820 191140131 /nfs/dbraw/zinc/14/01/31/191140131.db2.gz YIDVCSXXHXSMFX-INIZCTEOSA-N 1 0 306.369 3.121 40 0 DGABRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(O)c2c1C1CCC2CC1 ZINC000000000527 180667602 /nfs/dbraw/zinc/66/76/02/180667602.db2.gz GEVXLKYQQIKELK-JXQTWKCFSA-N 1 0 319.445 3.275 40 0 in-man DGABRO Cc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000072389888 191148120 /nfs/dbraw/zinc/14/81/20/191148120.db2.gz DDCDEIOONSWKIP-QGZVFWFLSA-N 1 0 320.396 3.430 40 0 DGABRO CC(C)[C@@H]1CCC[C@@H](C)[C@H]1[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000004825143 181157269 /nfs/dbraw/zinc/15/72/69/181157269.db2.gz SBOOCUVWKAXDSY-FHLIZLRMSA-N 1 0 318.461 3.476 40 0 DGABRO COCc1cccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000179221264 432050518 /nfs/dbraw/zinc/05/05/18/432050518.db2.gz NCMDIIXIYMSGKG-IBGZPJMESA-N 1 0 302.462 3.283 40 0 DGABRO COc1ccc([C@@H](O)c2cnc(C)n2Cc2ccccc2)cc1 ZINC000005504225 181250770 /nfs/dbraw/zinc/25/07/70/181250770.db2.gz HJAXDDABRHBYTA-LJQANCHMSA-N 1 0 308.381 3.330 40 0 DGABRO CN(C)c1ccc(CC[C@H]([NH3+])c2ccc3c(c2)OCCO3)cc1 ZINC000005797802 181285021 /nfs/dbraw/zinc/28/50/21/181285021.db2.gz JGZGRFYTFFHQKF-KRWDZBQOSA-N 1 0 312.413 3.156 40 0 DGABRO CC[N@@H+]1CC[C@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 ZINC000257276283 203003678 /nfs/dbraw/zinc/00/36/78/203003678.db2.gz NTCJVWFUVOWCJK-LBPRGKRZSA-N 1 0 303.435 3.103 40 0 DGABRO CCCn1nccc1-c1cnc(C[C@@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000257274967 203003911 /nfs/dbraw/zinc/00/39/11/203003911.db2.gz NNKWMHLCWLUXNK-HNNXBMFYSA-N 1 0 313.449 3.023 40 0 DGABRO Cc1cccnc1C[N@H+]1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257307883 203031483 /nfs/dbraw/zinc/03/14/83/203031483.db2.gz TUMOOGZRRHJRNN-HHXXYDBFSA-N 1 0 309.413 3.074 40 0 DGABRO Cc1c[nH]c([C@@H]2CC[N@H+](CCCOc3ccccc3F)C2)n1 ZINC000257307670 203033041 /nfs/dbraw/zinc/03/30/41/203033041.db2.gz SZTHSSLLQWEVSI-CQSZACIVSA-N 1 0 303.381 3.116 40 0 DGABRO Cc1n[nH]c(C)c1-c1cnc(C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257277359 203007163 /nfs/dbraw/zinc/00/71/63/203007163.db2.gz NXRDEQNZIRBCJA-HNNXBMFYSA-N 1 0 313.449 3.146 40 0 DGABRO C[N@@H+]1CCC[C@H]1c1ccnc(C(=O)N2CCCCCCC2)c1 ZINC000257293967 203019471 /nfs/dbraw/zinc/01/94/71/203019471.db2.gz QRWXPGJKAJPCGF-KRWDZBQOSA-N 1 0 301.434 3.255 40 0 DGABRO c1ccc(CO[C@@H]2COC3(C2)CC[NH+](CC2CC2)CC3)cc1 ZINC000096047869 193500612 /nfs/dbraw/zinc/50/06/12/193500612.db2.gz RFQLHTKSRPYUMG-SFHVURJKSA-N 1 0 301.430 3.237 40 0 DGABRO CC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096158408 193556498 /nfs/dbraw/zinc/55/64/98/193556498.db2.gz WLIIGHRWUQBVFG-UHFFFAOYSA-N 1 0 304.409 3.050 40 0 DGABRO Cc1ccc(S[C@@H](C)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000010277110 181663672 /nfs/dbraw/zinc/66/36/72/181663672.db2.gz RMWHCSULYXPAAX-INIZCTEOSA-N 1 0 320.502 3.468 40 0 DGABRO COc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1cccc(C)c1 ZINC000016349292 182042015 /nfs/dbraw/zinc/04/20/15/182042015.db2.gz OHDUVFKSTDLHBU-OAHLLOKOSA-N 1 0 315.413 3.053 40 0 DGABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](C[C@@H]4CC=CCC4)C[C@H]32)nc1 ZINC000019215965 182107972 /nfs/dbraw/zinc/10/79/72/182107972.db2.gz ODRJXSCURGGIED-RMJJICAUSA-N 1 0 312.457 3.276 40 0 DGABRO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000019361656 182118512 /nfs/dbraw/zinc/11/85/12/182118512.db2.gz RNNMSKIARPGIKI-HKBOAZHASA-N 1 0 310.485 3.449 40 0 DGABRO c1cnc(-c2nnc([C@@H]3CCC[N@H+]3CC3CCCCC3)o2)cn1 ZINC000019403871 182121254 /nfs/dbraw/zinc/12/12/54/182121254.db2.gz XXBAKYDBKFBRMJ-HNNXBMFYSA-N 1 0 313.405 3.244 40 0 DGABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000039767990 183021893 /nfs/dbraw/zinc/02/18/93/183021893.db2.gz MPSIHSOQGWFHSP-UHFFFAOYSA-N 1 0 314.473 3.466 40 0 DGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccccc2)C1 ZINC000044140348 183396656 /nfs/dbraw/zinc/39/66/56/183396656.db2.gz ZABLUNIABZRMSM-GASCZTMLSA-N 1 0 305.491 3.341 40 0 DGABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccccc2)C1 ZINC000044140349 183396683 /nfs/dbraw/zinc/39/66/83/183396683.db2.gz ZABLUNIABZRMSM-GJZGRUSLSA-N 1 0 305.491 3.341 40 0 DGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccs1 ZINC000046374508 183560873 /nfs/dbraw/zinc/56/08/73/183560873.db2.gz JFUDVYUAFGZFCF-UHFFFAOYSA-N 1 0 300.427 3.274 40 0 DGABRO C[C@H]1C[C@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000048303128 183641205 /nfs/dbraw/zinc/64/12/05/183641205.db2.gz JGYJECHCDULUBN-OAFZBRQQSA-N 1 0 314.473 3.437 40 0 DGABRO CCCC[N@@H+]1CCC[C@@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219405 257123928 /nfs/dbraw/zinc/12/39/28/257123928.db2.gz GEVJWNIUWFIIGQ-QGZVFWFLSA-N 1 0 303.450 3.164 40 0 DGABRO COCC[C@@H]1CCOC12CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000585102971 400125716 /nfs/dbraw/zinc/12/57/16/400125716.db2.gz NJLOGJKGEXFNKK-GOSISDBHSA-N 1 0 303.446 3.403 40 0 DGABRO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CC[N@H+]2C)C1 ZINC000585101845 400126076 /nfs/dbraw/zinc/12/60/76/400126076.db2.gz IWUXNTVJSSXQOU-SFHVURJKSA-N 1 0 304.434 3.196 40 0 DGABRO COCC[C@H]1CCOC12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000585104482 400126254 /nfs/dbraw/zinc/12/62/54/400126254.db2.gz JAYKSCOXUWJHAB-KRWDZBQOSA-N 1 0 319.445 3.103 40 0 DGABRO CCOC(=O)[C@H](CN)[C@@]1([NH+](CC)CC)C[C@H]2CC[C@]1(C)C2(C)C ZINC000072210474 400376127 /nfs/dbraw/zinc/37/61/27/400376127.db2.gz OCKDPBVSIVVMTJ-OHQAAIJDSA-N 1 0 324.509 3.051 40 0 DGABRO CC1=C[C@H](C)[C@H]([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)[C@H](C)C1 ZINC000245237950 401005193 /nfs/dbraw/zinc/00/51/93/401005193.db2.gz MPVKDSOURSACLP-VZAMPYOESA-N 1 0 309.417 3.323 40 0 DGABRO COC1=C2CC[C@@H]3c4cc(OC)c(OC)cc4CC[N+]3=C2CC1 ZINC000001581804 431230455 /nfs/dbraw/zinc/23/04/55/431230455.db2.gz WETFZOPPAPSRFR-MRXNPFEDSA-N 1 0 314.405 3.243 40 0 DGABRO CC[NH+](CC)C[C@H](O)CNc1ccnc2cc(Cl)ccc21 ZINC000001700323 431235008 /nfs/dbraw/zinc/23/50/08/431235008.db2.gz ZVFMMJFXUUKKFN-CYBMUJFWSA-N 1 0 307.825 3.003 40 0 DGABRO CCN(CC)C(=O)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000001675096 431236983 /nfs/dbraw/zinc/23/69/83/431236983.db2.gz DELYMNQSEIWFDQ-UHFFFAOYSA-N 1 0 314.473 3.256 40 0 DGABRO CC(C)CC(CC(C)C)[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001710523 431237326 /nfs/dbraw/zinc/23/73/26/431237326.db2.gz WOIVEMCQIRZQLJ-UHFFFAOYSA-N 1 0 306.450 3.476 40 0 DGABRO CC1CC[NH+](CCCNC(=S)Nc2ccccc2F)CC1 ZINC000007027248 431330852 /nfs/dbraw/zinc/33/08/52/431330852.db2.gz OCPCHTLDMMCYSU-UHFFFAOYSA-N 1 0 309.454 3.234 40 0 DGABRO C[C@H](O)c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)cc1 ZINC000007540895 431352587 /nfs/dbraw/zinc/35/25/87/431352587.db2.gz URMYNGAXHBPSJY-BBRMVZONSA-N 1 0 301.386 3.269 40 0 DGABRO COc1cccc2cc(C(=O)NCC[NH+]3CCCCCC3)oc21 ZINC000073742549 431380534 /nfs/dbraw/zinc/38/05/34/431380534.db2.gz YQSDOWDGDZFTCK-UHFFFAOYSA-N 1 0 316.401 3.047 40 0 DGABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000008337069 431392683 /nfs/dbraw/zinc/39/26/83/431392683.db2.gz DMOGGRMOHHPXAC-QGZVFWFLSA-N 1 0 315.413 3.135 40 0 DGABRO CC[C@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000008337126 431393422 /nfs/dbraw/zinc/39/34/22/431393422.db2.gz DHOBTIHPTGHNRS-QGZVFWFLSA-N 1 0 315.413 3.135 40 0 DGABRO Cc1ccccc1CSCC(=O)NCCC[NH+]1CCCCC1 ZINC000010276982 431457312 /nfs/dbraw/zinc/45/73/12/431457312.db2.gz CISSILICUZYWPJ-UHFFFAOYSA-N 1 0 320.502 3.220 40 0 DGABRO C[C@H](SCc1ccccc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000010277004 431458201 /nfs/dbraw/zinc/45/82/01/431458201.db2.gz VZEFCKAEZOCDLA-INIZCTEOSA-N 1 0 320.502 3.301 40 0 DGABRO c1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccnc4)n[nH]3)C2)cc1 ZINC000012115735 431490083 /nfs/dbraw/zinc/49/00/83/431490083.db2.gz NESMGWJEJUYHGW-QGZVFWFLSA-N 1 0 319.412 3.246 40 0 DGABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc(-c3cccnc3Cl)no2)C1 ZINC000012239377 431497455 /nfs/dbraw/zinc/49/74/55/431497455.db2.gz GRQQYLLOZJIVLI-GHMZBOCLSA-N 1 0 306.797 3.263 40 0 DGABRO CC(C)CC(=O)N1C[C@H]2CCC[N@H+](Cc3ccccc3F)[C@H]2C1 ZINC000012188217 431497896 /nfs/dbraw/zinc/49/78/96/431497896.db2.gz CKFFOAOCURDLKR-AEFFLSMTSA-N 1 0 318.436 3.295 40 0 DGABRO CCc1ccc(CCC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000013671099 431563750 /nfs/dbraw/zinc/56/37/50/431563750.db2.gz OHBXLBNFUGFAHB-UHFFFAOYSA-N 1 0 316.489 3.420 40 0 DGABRO CC[NH+](CC)CCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000027974731 431696967 /nfs/dbraw/zinc/69/69/67/431696967.db2.gz MGIZYQVKVCAFOP-OAHLLOKOSA-N 1 0 314.429 3.065 40 0 DGABRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221071 431703754 /nfs/dbraw/zinc/70/37/54/431703754.db2.gz JNOVUQUBOJDOAH-HNNXBMFYSA-N 1 0 308.853 3.468 40 0 DGABRO O=C1C[C@@H]([NH2+]C2CCCCC2)C(=O)N1c1ccc2ccccc2c1 ZINC000031720224 431764765 /nfs/dbraw/zinc/76/47/65/431764765.db2.gz VIROFOOHJVPMMH-GOSISDBHSA-N 1 0 322.408 3.394 40 0 DGABRO C[NH2+][C@H]1CCCC[C@H]1N(C(=O)OCc1ccccc1)C1CC1 ZINC000079437939 431723210 /nfs/dbraw/zinc/72/32/10/431723210.db2.gz WFOLKPOXBYICIS-DLBZAZTESA-N 1 0 302.418 3.318 40 0 DGABRO CCOCCC[NH2+]CC(=O)N1c2ccccc2[C@@H](C)CC1(C)C ZINC000035311382 431830227 /nfs/dbraw/zinc/83/02/27/431830227.db2.gz PFIUHNMLLRHOAR-HNNXBMFYSA-N 1 0 318.461 3.322 40 0 DGABRO Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](c4nnc(C)o4)CC[C@H]32)s1 ZINC000096041093 431934781 /nfs/dbraw/zinc/93/47/81/431934781.db2.gz SDXCVQOZWDPFIZ-RBSFLKMASA-N 1 0 319.430 3.243 40 0 DGABRO c1cc(CN2CCC[C@@]3(C2)COCC[N@@H+](CC2CC2)C3)cs1 ZINC000096049472 431934893 /nfs/dbraw/zinc/93/48/93/431934893.db2.gz QMVFBUGYJAMRGZ-SFHVURJKSA-N 1 0 320.502 3.073 40 0 DGABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000096047503 431935192 /nfs/dbraw/zinc/93/51/92/431935192.db2.gz PIWSGRUGPRICNF-IBGZPJMESA-N 1 0 316.445 3.062 40 0 DGABRO c1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cc1 ZINC000096042160 431935722 /nfs/dbraw/zinc/93/57/22/431935722.db2.gz UCZFMYLEMUBIAL-SLFFLAALSA-N 1 0 324.424 3.030 40 0 DGABRO c1ccc(COC[C@@]23CCCO[C@H]2CC[N@@H+](C2CCC2)C3)nc1 ZINC000096040276 431935981 /nfs/dbraw/zinc/93/59/81/431935981.db2.gz NGZZMZXGBBFMBF-OALUTQOASA-N 1 0 316.445 3.022 40 0 DGABRO c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@@H+](C3CCC3)C2)o1 ZINC000049169742 431936726 /nfs/dbraw/zinc/93/67/26/431936726.db2.gz RVEIVUITSVYLHK-ZDUSSCGKSA-N 1 0 322.412 3.484 40 0 biogenic,in-vitro DGABRO Cc1cc2nc(CO[C@H]3C[N@H+](C(C)C)C[C@H]3F)[nH]c2cc1C ZINC000096112348 431938705 /nfs/dbraw/zinc/93/87/05/431938705.db2.gz ZXXSBGMYLCQCAF-CJNGLKHVSA-N 1 0 305.397 3.127 40 0 biogenic,in-vitro DGABRO Cn1cccc1C[NH+]1CCC2(CC(Oc3cccnc3)C2)CC1 ZINC000096159344 431940219 /nfs/dbraw/zinc/94/02/19/431940219.db2.gz IERXJCQMDFOSGJ-UHFFFAOYSA-N 1 0 311.429 3.244 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2c(C)noc2C)o1 ZINC000096184666 431941400 /nfs/dbraw/zinc/94/14/00/431941400.db2.gz TVBBAILCYUPFFO-ZWKOTPCHSA-N 1 0 315.417 3.042 40 0 DGABRO CCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(OC)c1)C2 ZINC000096215671 431942219 /nfs/dbraw/zinc/94/22/19/431942219.db2.gz QBVTVRKWSDXFRB-IBGZPJMESA-N 1 0 302.462 3.393 40 0 DGABRO CC(C)[N@@H+]1CCOC[C@]2(CCCN(Cc3cccc(F)c3)C2)C1 ZINC000096228732 431943011 /nfs/dbraw/zinc/94/30/11/431943011.db2.gz UYXGDFDULSEZRR-IBGZPJMESA-N 1 0 320.452 3.149 40 0 DGABRO CCCCCCC(=O)N1CC[N@H+](Cc2ccccc2)CCC1=O ZINC000057773342 431993952 /nfs/dbraw/zinc/99/39/52/431993952.db2.gz VBUKZPGXJGYKNR-UHFFFAOYSA-N 1 0 316.445 3.218 40 0 DGABRO CC[C@H](C)n1nccc1C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000256049958 432414917 /nfs/dbraw/zinc/41/49/17/432414917.db2.gz CBQIYSIMQKRQAM-AWEZNQCLSA-N 1 0 317.433 3.204 40 0 DGABRO Cc1ncsc1C[N@@H+]1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257213069 432418126 /nfs/dbraw/zinc/41/81/26/432418126.db2.gz CGBLKZMUCBDHND-ZDUSSCGKSA-N 1 0 313.430 3.102 40 0 DGABRO Cc1n[nH]cc1C[N@@H+]1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257210404 432418159 /nfs/dbraw/zinc/41/81/59/432418159.db2.gz BULRPSRXZMOBNO-OAHLLOKOSA-N 1 0 306.413 3.331 40 0 DGABRO c1c[nH]c(C[N@H+]2CCC[C@@H](Cc3ccnc4ccncc34)CC2)n1 ZINC000257249505 432421901 /nfs/dbraw/zinc/42/19/01/432421901.db2.gz JIRNCGZKMCAVBI-OAHLLOKOSA-N 1 0 321.428 3.198 40 0 DGABRO Cc1nc(C[N@H+]2CCC[C@H](c3ccnc(N(C)C)c3)C2)cs1 ZINC000257254958 432423102 /nfs/dbraw/zinc/42/31/02/432423102.db2.gz KFMOHDQZSNKOMM-HNNXBMFYSA-N 1 0 316.474 3.292 40 0 DGABRO CNc1cncc([C@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)n1 ZINC000257259388 432424271 /nfs/dbraw/zinc/42/42/71/432424271.db2.gz KYDRNHMCMRIKMR-QGZVFWFLSA-N 1 0 322.412 3.131 40 0 DGABRO O=C1CCC[C@@H]2[C@H](N1)[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000212420065 432641157 /nfs/dbraw/zinc/64/11/57/432641157.db2.gz MHLMBYWVPBTMRI-SFHLNBCPSA-N 1 0 320.436 3.323 40 0 DGABRO CC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225573791 432694231 /nfs/dbraw/zinc/69/42/31/432694231.db2.gz PDMZSUGAZLCQJQ-UHFFFAOYSA-N 1 0 312.816 3.216 40 0 DGABRO CCCOC(C)(C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225727331 432695466 /nfs/dbraw/zinc/69/54/66/432695466.db2.gz MCRIAUHQPNVIBQ-UHFFFAOYSA-N 1 0 322.449 3.161 40 0 DGABRO C[NH+]1CCC(NC(=O)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000225339867 432689919 /nfs/dbraw/zinc/68/99/19/432689919.db2.gz VEEVTJNLXGHHTQ-UHFFFAOYSA-N 1 0 315.244 3.136 40 0 DGABRO C[NH2+][C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000242473211 432818320 /nfs/dbraw/zinc/81/83/20/432818320.db2.gz FBVFIVBMNRYTNA-WKILWMFISA-N 1 0 302.418 3.318 40 0 DGABRO CC[C@@H](C)Nc1nc(NCc2cccc(F)c2)cc(C2CC2)[nH+]1 ZINC000328955942 529357585 /nfs/dbraw/zinc/35/75/85/529357585.db2.gz AETAVCOGKLICLL-GFCCVEGCSA-N 1 0 314.408 3.159 40 0 DGABRO CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2cncs2)CC1 ZINC000585100443 547024635 /nfs/dbraw/zinc/02/46/35/547024635.db2.gz KOMWWOCRNFRYAF-RHSMWYFYSA-N 1 0 321.490 3.289 40 0 DGABRO CN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585100643 547024947 /nfs/dbraw/zinc/02/49/47/547024947.db2.gz RKOWQUCUQMNJBB-HXUWFJFHSA-N 1 0 312.457 3.152 40 0 DGABRO O=C1CC[C@@]2(CCC[N@H+](CC3CC3)CC2)N1Cc1ccccc1 ZINC000585100459 547024978 /nfs/dbraw/zinc/02/49/78/547024978.db2.gz KXCMZPSPKWEYHU-HXUWFJFHSA-N 1 0 312.457 3.444 40 0 DGABRO c1ccc(CNc2ncc3c(n2)CC[C@@H]([NH2+]C2CCCC2)C3)cc1 ZINC000306137764 231090512 /nfs/dbraw/zinc/09/05/12/231090512.db2.gz RFMCYYGJWLDUGM-GOSISDBHSA-N 1 0 322.456 3.478 40 0 DGABRO CC(C)n1cnc2c1cc(C1CC[NH2+]CC1)nc2NCC1CC1 ZINC000107489371 185481770 /nfs/dbraw/zinc/48/17/70/185481770.db2.gz DLVDVXPESVQOHN-UHFFFAOYSA-N 1 0 313.449 3.301 40 0 DGABRO CN1c2ccccc2C2(CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000104998201 432018081 /nfs/dbraw/zinc/01/80/81/432018081.db2.gz YHNGXVHLLPXINX-UHFFFAOYSA-N 1 0 312.438 3.258 40 0 DGABRO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000072203963 191075625 /nfs/dbraw/zinc/07/56/25/191075625.db2.gz ICKLJMZYXGJZHD-UONOGXRCSA-N 1 0 305.422 3.132 40 0 DGABRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000072203931 191076387 /nfs/dbraw/zinc/07/63/87/191076387.db2.gz XHVIHPAHSMZJAP-KGLIPLIRSA-N 1 0 305.422 3.132 40 0 DGABRO CC(C)[N@@H+]1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000072361667 191131267 /nfs/dbraw/zinc/13/12/67/191131267.db2.gz AFAIOGMFYYFLDB-CYBMUJFWSA-N 1 0 317.462 3.340 40 0 DGABRO OCC[N@@H+]1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072357527 191130153 /nfs/dbraw/zinc/13/01/53/191130153.db2.gz AHBWCGDEILKPAY-CQSZACIVSA-N 1 0 300.377 3.059 40 0 DGABRO Cc1nc(NCc2cccc(F)c2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072365082 191134170 /nfs/dbraw/zinc/13/41/70/191134170.db2.gz BWOZFYXURXWEOZ-CQSZACIVSA-N 1 0 300.381 3.003 40 0 DGABRO Cn1ccnc1C[N@@H+]1CC[C@@H](Cc2cccc3ncccc23)C1 ZINC000072367627 191136635 /nfs/dbraw/zinc/13/66/35/191136635.db2.gz ZSIOIIMIXBELFE-HNNXBMFYSA-N 1 0 306.413 3.033 40 0 DGABRO CC(C)[NH+]1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1 ZINC000072366554 191136107 /nfs/dbraw/zinc/13/61/07/191136107.db2.gz OYSHMNBUQPUEII-UHFFFAOYSA-N 1 0 312.339 3.336 40 0 DGABRO c1cn2c(n1)nccc2[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072368699 191138362 /nfs/dbraw/zinc/13/83/62/191138362.db2.gz KUWDDRACTAMLIL-QGZVFWFLSA-N 1 0 306.413 3.151 40 0 DGABRO Cc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)c1 ZINC000072389892 191147874 /nfs/dbraw/zinc/14/78/74/191147874.db2.gz KNOHCZSQPQSQOX-QGZVFWFLSA-N 1 0 320.396 3.430 40 0 DGABRO C[C@H]1C[NH+](Cc2c3cccnc3[nH]c2C(C)(C)C)C[C@H](C)O1 ZINC000072393637 191148826 /nfs/dbraw/zinc/14/88/26/191148826.db2.gz LSQWDHBMIYNWHR-STQMWFEESA-N 1 0 301.434 3.470 40 0 DGABRO Cn1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])c2ccccc21 ZINC000072395128 191149344 /nfs/dbraw/zinc/14/93/44/191149344.db2.gz ZPTOMVIDYQTYBC-MOPGFXCFSA-N 1 0 305.425 3.105 40 0 DGABRO CN(C(=O)c1cc([C@H]2CCC[N@H+](C)C2)ccn1)C1CCCCC1 ZINC000072387121 191145420 /nfs/dbraw/zinc/14/54/20/191145420.db2.gz POJXOKGUCXFOIB-INIZCTEOSA-N 1 0 315.461 3.296 40 0 DGABRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000072727879 191222561 /nfs/dbraw/zinc/22/25/61/191222561.db2.gz VWKHXJLRUHCJJI-NSHDSACASA-N 1 0 312.866 3.031 40 0 DGABRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(C)c1)[N@@H+]2C ZINC000003941518 181058084 /nfs/dbraw/zinc/05/80/84/181058084.db2.gz VMITZEMDDZVHBZ-XNISGKROSA-N 1 0 307.821 3.388 40 0 in-vitro DGABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)co1 ZINC000107711934 432037363 /nfs/dbraw/zinc/03/73/63/432037363.db2.gz IIGWTLYDUWSVMC-MSOLQXFVSA-N 1 0 305.418 3.077 40 0 DGABRO Cc1ccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)s1 ZINC000107742882 432039491 /nfs/dbraw/zinc/03/94/91/432039491.db2.gz XXPYSZHYRBUERZ-YOEHRIQHSA-N 1 0 312.438 3.151 40 0 DGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)s1 ZINC000107731374 432039525 /nfs/dbraw/zinc/03/95/25/432039525.db2.gz VVCOFBDMQNUGCT-NVXWUHKLSA-N 1 0 317.458 3.249 40 0 DGABRO C[NH+](C)CCn1ccc(NCc2ccc(Cl)c(Cl)c2)n1 ZINC000131935640 432040655 /nfs/dbraw/zinc/04/06/55/432040655.db2.gz NFHOTZAIYHRIEL-UHFFFAOYSA-N 1 0 313.232 3.364 40 0 DGABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1Cl ZINC000005636688 181266637 /nfs/dbraw/zinc/26/66/37/181266637.db2.gz ZZHFJTWJGFOXMO-CJNGLKHVSA-N 1 0 306.837 3.334 40 0 DGABRO C/C(=C\c1ccccc1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000179392861 432056451 /nfs/dbraw/zinc/05/64/51/432056451.db2.gz FXAHLQBSOXTZEC-PHKMIBKXSA-N 1 0 314.473 3.277 40 0 DGABRO CC[NH+](CC)CCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000005847273 181289016 /nfs/dbraw/zinc/28/90/16/181289016.db2.gz DQZQBZHYTUVKCX-UHFFFAOYSA-N 1 0 304.221 3.457 40 0 DGABRO C[C@@]1(C2CC[NH2+]CC2)CCCCN(CCc2ccccc2)C1=O ZINC000257274965 203003330 /nfs/dbraw/zinc/00/33/30/203003330.db2.gz NNKSYKICURTTEC-FQEVSTJZSA-N 1 0 314.473 3.248 40 0 DGABRO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@@H]1c1ccncn1 ZINC000257298786 203023502 /nfs/dbraw/zinc/02/35/02/203023502.db2.gz RNHCCUDUMTUGFX-QGZVFWFLSA-N 1 0 305.385 3.204 40 0 DGABRO CCN(C(=O)c1scnc1C)[C@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000257306082 203030265 /nfs/dbraw/zinc/03/02/65/203030265.db2.gz SSUYHKIHLDSTQA-CQSZACIVSA-N 1 0 321.490 3.321 40 0 DGABRO Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000257283384 203009698 /nfs/dbraw/zinc/00/96/98/203009698.db2.gz OYBFBGRBZKLFCK-HNNXBMFYSA-N 1 0 313.449 3.427 40 0 DGABRO c1cc2cc(C[C@H]3COCC[N@H+](Cc4ccncc4)C3)ccc2[nH]1 ZINC000257282988 203009795 /nfs/dbraw/zinc/00/97/95/203009795.db2.gz OWEARGWSRVZRAZ-GOSISDBHSA-N 1 0 321.424 3.254 40 0 DGABRO CCn1nccc1-c1cncc(CC2CC[NH+](C(C)C)CC2)n1 ZINC000257288370 203013197 /nfs/dbraw/zinc/01/31/97/203013197.db2.gz PTYSNILRABWDGX-UHFFFAOYSA-N 1 0 313.449 3.023 40 0 DGABRO Cn1ncc2ccc([C@H]3CCC[N@H+](Cc4cccs4)C3)nc21 ZINC000257328722 203052563 /nfs/dbraw/zinc/05/25/63/203052563.db2.gz XGVSOIWORJMOHZ-AWEZNQCLSA-N 1 0 312.442 3.409 40 0 DGABRO FC(F)(F)c1cccnc1Nc1nccc(C2CC[NH2+]CC2)n1 ZINC000257329804 203053184 /nfs/dbraw/zinc/05/31/84/203053184.db2.gz XLPIAWUSSQDVPA-UHFFFAOYSA-N 1 0 323.322 3.101 40 0 DGABRO O[C@H]1CC[N@H+](Cc2ccsc2)CC[C@@H]1Oc1ccccc1F ZINC000257311882 203036598 /nfs/dbraw/zinc/03/65/98/203036598.db2.gz ULKAFLACCSCOIO-RDJZCZTQSA-N 1 0 321.417 3.292 40 0 DGABRO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C)c[nH]3)C2)cc(OC)c1 ZINC000257312737 203036838 /nfs/dbraw/zinc/03/68/38/203036838.db2.gz UPIBETMQFQCLHB-OAHLLOKOSA-N 1 0 315.417 3.115 40 0 DGABRO CCn1nccc1-c1cnc(CC2CC[NH+](C(C)C)CC2)cn1 ZINC000257343326 203064686 /nfs/dbraw/zinc/06/46/86/203064686.db2.gz ZSKZGXPGHHTERY-UHFFFAOYSA-N 1 0 313.449 3.023 40 0 DGABRO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C)cn3C)C2)ccc1F ZINC000257342113 203065925 /nfs/dbraw/zinc/06/59/25/203065925.db2.gz ZNDHMWHZNDKFOD-HNNXBMFYSA-N 1 0 317.408 3.256 40 0 DGABRO Cc1cccc(C[NH+]2CCC(c3csc4nccn34)CC2)n1 ZINC000257343915 203067056 /nfs/dbraw/zinc/06/70/56/203067056.db2.gz ZUXNMPZBGKTYEI-UHFFFAOYSA-N 1 0 312.442 3.479 40 0 DGABRO CCC[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000007262301 181450103 /nfs/dbraw/zinc/45/01/03/181450103.db2.gz XMASVVBHDOWRHX-UHFFFAOYSA-N 1 0 302.212 3.356 40 0 DGABRO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cc(F)cc(F)c1 ZINC000262067060 203188608 /nfs/dbraw/zinc/18/86/08/203188608.db2.gz OQGBNLNGQMKMHY-UHFFFAOYSA-N 1 0 323.368 3.141 40 0 DGABRO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096106390 193538855 /nfs/dbraw/zinc/53/88/55/193538855.db2.gz IFBLKSFDZPVANI-MRXNPFEDSA-N 1 0 307.434 3.243 40 0 DGABRO COC[C@H]1COCCC12CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000096106258 193539212 /nfs/dbraw/zinc/53/92/12/193539212.db2.gz CYIJCWDIFMDDID-SFHVURJKSA-N 1 0 303.446 3.260 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(OC)c1 ZINC000010543028 181674113 /nfs/dbraw/zinc/67/41/13/181674113.db2.gz KTQHYOGFMBPJIE-INIZCTEOSA-N 1 0 304.434 3.080 40 0 DGABRO O[C@H](C[NH+]1CCC(Oc2ccc(F)cc2)CC1)c1cccs1 ZINC000019342955 182117026 /nfs/dbraw/zinc/11/70/26/182117026.db2.gz HWAHNLSMFPSBDJ-MRXNPFEDSA-N 1 0 321.417 3.464 40 0 DGABRO O=C1C[C@H]([NH2+]C2CCCCCCC2)C(=O)N1c1ccccc1 ZINC000019372937 182121108 /nfs/dbraw/zinc/12/11/08/182121108.db2.gz HHXVUBYMSSNJMC-INIZCTEOSA-N 1 0 300.402 3.021 40 0 DGABRO C[C@@H]1C[N@@H+](Cc2c3cccnc3[nH]c2-c2ccco2)C[C@H](C)O1 ZINC000019497544 182125618 /nfs/dbraw/zinc/12/56/18/182125618.db2.gz OGNCMPWFHKCOSE-BETUJISGSA-N 1 0 311.385 3.432 40 0 DGABRO CCCc1ccc(C[NH2+][C@@H]2COC[C@H]2Cc2cc(C)no2)s1 ZINC000019525494 182128430 /nfs/dbraw/zinc/12/84/30/182128430.db2.gz YGXWZWHAMZEHHU-CXAGYDPISA-N 1 0 320.458 3.344 40 0 DGABRO COc1cccc(C[NH2+][C@@H]2COC[C@H]2c2ccc(F)cc2)c1 ZINC000019565672 182130387 /nfs/dbraw/zinc/13/03/87/182130387.db2.gz LRXDWLHYXNAOGV-ZWKOTPCHSA-N 1 0 301.361 3.107 40 0 DGABRO CC(C)c1ncc(CN2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000019496849 182124824 /nfs/dbraw/zinc/12/48/24/182124824.db2.gz IQPBOHRFRDKWRQ-UHFFFAOYSA-N 1 0 316.493 3.296 40 0 DGABRO COCCC[N@H+](Cc1ccc(OC)cc1)Cc1ccccn1 ZINC000019593261 182133015 /nfs/dbraw/zinc/13/30/15/182133015.db2.gz HQMVTTVXVYREHU-UHFFFAOYSA-N 1 0 300.402 3.129 40 0 DGABRO CCn1ccc(NC(=O)CC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000019748899 182142617 /nfs/dbraw/zinc/14/26/17/182142617.db2.gz QXHLJWKFMNETEY-UHFFFAOYSA-N 1 0 318.465 3.276 40 0 DGABRO CNc1cc(CC2CC[NH+](CCc3ccccc3)CC2)nc(C)n1 ZINC000019758867 182144303 /nfs/dbraw/zinc/14/43/03/182144303.db2.gz OYVPIFKGJGSXGN-UHFFFAOYSA-N 1 0 324.472 3.324 40 0 DGABRO [NH3+]Cc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000020224328 182198521 /nfs/dbraw/zinc/19/85/21/182198521.db2.gz XKCTWPWIXZIMNY-UHFFFAOYSA-N 1 0 305.175 3.160 40 0 DGABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccs1 ZINC000024189761 182376766 /nfs/dbraw/zinc/37/67/66/182376766.db2.gz DFYALNRPBRROBW-UHFFFAOYSA-N 1 0 300.427 3.274 40 0 DGABRO CC(C)c1ccc(OCCOC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000040373224 183057324 /nfs/dbraw/zinc/05/73/24/183057324.db2.gz UOMMZFUQBUZERI-SFHVURJKSA-N 1 0 321.461 3.052 40 0 DGABRO CO[C@@H](C[NH2+][C@@H](C)CCc1ccc(O)cc1)c1ccc(O)cc1 ZINC000065748582 184378390 /nfs/dbraw/zinc/37/83/90/184378390.db2.gz VPHOYLOAYAAPCO-LIRRHRJNSA-N 1 0 315.413 3.396 40 0 in-vitro DGABRO Cc1nc(N2CCOCC2)ccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072219648 257124056 /nfs/dbraw/zinc/12/40/56/257124056.db2.gz QTHYILWEYSHACM-GOSISDBHSA-N 1 0 317.477 3.410 40 0 DGABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216246 257125038 /nfs/dbraw/zinc/12/50/38/257125038.db2.gz NEMOWILWBKWSFX-QGZVFWFLSA-N 1 0 303.450 3.245 40 0 DGABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216187 257125348 /nfs/dbraw/zinc/12/53/48/257125348.db2.gz MLQDVTBPJOGIEO-KRWDZBQOSA-N 1 0 303.450 3.245 40 0 DGABRO CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000072215364 257126134 /nfs/dbraw/zinc/12/61/34/257126134.db2.gz RFPWTBACUUBBNG-AWEZNQCLSA-N 1 0 303.406 3.410 40 0 DGABRO CC(C)(C)OC(=O)N1[C@@H]([C@@H]([NH3+])c2ccccc2)COC1(C)C ZINC000072208811 257128159 /nfs/dbraw/zinc/12/81/59/257128159.db2.gz OEXNURJONFKAOX-KGLIPLIRSA-N 1 0 306.406 3.058 40 0 DGABRO Cc1ccc(-c2ccc3nnc([C@@H]4CCCC[NH2+]4)n3n2)cc1C ZINC000217563131 257131305 /nfs/dbraw/zinc/13/13/05/257131305.db2.gz CJZOPPOVLSKODJ-INIZCTEOSA-N 1 0 307.401 3.223 40 0 DGABRO CCOCC[C@H]1CCOC12CC[NH+](Cc1cccc(C)n1)CC2 ZINC000585104985 400126098 /nfs/dbraw/zinc/12/60/98/400126098.db2.gz NCCPOFZRABVFBD-KRWDZBQOSA-N 1 0 318.461 3.188 40 0 DGABRO c1nc2ccccn2c1-c1cccc(C[C@@H]2CCC[NH2+]CC2)n1 ZINC000585262834 400130211 /nfs/dbraw/zinc/13/02/11/400130211.db2.gz AAXUMWNQVGTQBN-OAHLLOKOSA-N 1 0 306.413 3.329 40 0 DGABRO OC1(COc2cccc(Cl)c2)CC[NH+](C2CCCC2)CC1 ZINC000585281396 400130854 /nfs/dbraw/zinc/13/08/54/400130854.db2.gz IYYMPBPAGDVXJO-UHFFFAOYSA-N 1 0 309.837 3.488 40 0 DGABRO C[C@]1(C2CC[NH2+]CC2)CCCCN(Cc2ccccc2)C1=O ZINC000585169371 400131084 /nfs/dbraw/zinc/13/10/84/400131084.db2.gz DRCBBDRJZRBDHM-LJQANCHMSA-N 1 0 300.446 3.205 40 0 DGABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+][C@@H](CO)CC(C)C)cc2c1 ZINC000585292852 400131460 /nfs/dbraw/zinc/13/14/60/400131460.db2.gz AYTFKDPZWFGDMB-MRXNPFEDSA-N 1 0 302.418 3.054 40 0 DGABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH+]1CCCCC1 ZINC000585289291 400132281 /nfs/dbraw/zinc/13/22/81/400132281.db2.gz HODBHPKEUMWULG-GVDBMIGSSA-N 1 0 309.837 3.487 40 0 DGABRO O=C(C1CC2(CC2)C1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000614729185 400936761 /nfs/dbraw/zinc/93/67/61/400936761.db2.gz QWBAMXYZZUYIPE-NRFANRHFSA-N 1 0 324.468 3.301 40 0 DGABRO O=C(C1CC2(CC2)C1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000614729188 400937148 /nfs/dbraw/zinc/93/71/48/400937148.db2.gz QWBAMXYZZUYIPE-OAQYLSRUSA-N 1 0 324.468 3.301 40 0 DGABRO CCOC(=O)[C@H](CN)[C@]1([NH+](CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351844 400948893 /nfs/dbraw/zinc/94/88/93/400948893.db2.gz OCKDPBVSIVVMTJ-STEAMIEHSA-N 1 0 324.509 3.051 40 0 DGABRO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000245242008 401004884 /nfs/dbraw/zinc/00/48/84/401004884.db2.gz WKLGIIULCGMLEB-BFYDXBDKSA-N 1 0 319.445 3.282 40 0 DGABRO COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1N)[NH2+]CC2 ZINC000020458213 286260817 /nfs/dbraw/zinc/26/08/17/286260817.db2.gz VUADPOYIHKDPEK-KRWDZBQOSA-N 1 0 318.804 3.175 40 0 DGABRO c1ccc2c(c1)N[C@H](c1cccc3nccnc31)N1CCC[NH+]=C21 ZINC000072342095 262514203 /nfs/dbraw/zinc/51/42/03/262514203.db2.gz UVJMOGOPNYDKGM-IBGZPJMESA-N 1 0 315.380 3.206 40 0 DGABRO CCCC(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC000028227820 425820320 /nfs/dbraw/zinc/82/03/20/425820320.db2.gz GIZKJSFAZZOQIN-UHFFFAOYSA-N 1 0 302.422 3.117 40 0 DGABRO CC(C)[NH2+]C[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21 ZINC000096112696 273539896 /nfs/dbraw/zinc/53/98/96/273539896.db2.gz YSICINAJECADSB-NSHDSACASA-N 1 0 313.323 3.124 40 0 biogenic,in-vitro DGABRO c1cc(C[NH+]2CCC3(C[C@H](Oc4ccccc4)CO3)CC2)co1 ZINC000096221806 275063952 /nfs/dbraw/zinc/06/39/52/275063952.db2.gz MBAAOHOKCCPJOF-SFHVURJKSA-N 1 0 313.397 3.482 40 0 DGABRO c1csc(C[NH+]2CCC3(CCN(c4ncccn4)C3)CC2)c1 ZINC000096046591 275074733 /nfs/dbraw/zinc/07/47/33/275074733.db2.gz HLAABIKKYAAKPP-UHFFFAOYSA-N 1 0 314.458 3.031 40 0 DGABRO CC1(C)[C@@H]2C[C@H]1C([C@@H]1NC(=[NH2+])Nc3nc4ccccc4n31)=CC2 ZINC000007738555 275887928 /nfs/dbraw/zinc/88/79/28/275887928.db2.gz NPWRIMCTAVGORR-ITDIGPHOSA-N 1 0 307.401 3.077 40 0 DGABRO CN1C(=O)CCC[C@H]2C[N@@H+](Cc3cccc4cccnc43)CC[C@H]21 ZINC000257268663 277006513 /nfs/dbraw/zinc/00/65/13/277006513.db2.gz MMPPBARETYCKQJ-FUHWJXTLSA-N 1 0 323.440 3.068 40 0 DGABRO CC[NH+](CC)CC[C@]12C[C@@H](C)OC1=Nc1ccccc1NC2=O ZINC000001609116 279113664 /nfs/dbraw/zinc/11/36/64/279113664.db2.gz PYBOAHCWXQSJAD-FZKQIMNGSA-N 1 0 315.417 3.196 40 0 DGABRO Fc1cccc2c(N3CCC[NH2+]CC3)cc(C(F)(F)F)nc12 ZINC000002243387 431248200 /nfs/dbraw/zinc/24/82/00/431248200.db2.gz BVXOFEATSZXALH-UHFFFAOYSA-N 1 0 313.298 3.192 40 0 DGABRO CC(C)c1ccc(NC(=S)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000009876439 431446441 /nfs/dbraw/zinc/44/64/41/431446441.db2.gz PXWPPZKJNPQFJZ-CQSZACIVSA-N 1 0 305.491 3.438 40 0 DGABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000012170032 431493066 /nfs/dbraw/zinc/49/30/66/431493066.db2.gz KSBZZJRLSSHLLD-CKEIUWERSA-N 1 0 311.853 3.195 40 0 DGABRO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1 ZINC000013362187 431553916 /nfs/dbraw/zinc/55/39/16/431553916.db2.gz CANUBXZJGLXAEB-BBRMVZONSA-N 1 0 309.356 3.386 40 0 DGABRO Cc1ccc(S[C@@H](C)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000013670596 431564122 /nfs/dbraw/zinc/56/41/22/431564122.db2.gz NXDIFVNIZSSWSA-HNNXBMFYSA-N 1 0 306.475 3.078 40 0 DGABRO CC[C@@H](C)[N@@H+]1CCc2nc(N3CCCC3)nc(NC(C)C)c2C1 ZINC000096083707 280105104 /nfs/dbraw/zinc/10/51/04/280105104.db2.gz UDWVXMIVRNHUPV-CQSZACIVSA-N 1 0 317.481 3.054 40 0 DGABRO CCOc1ccc2[nH]c(=O)c(C[NH2+]CCc3ccccc3)cc2c1 ZINC000013998758 431577275 /nfs/dbraw/zinc/57/72/75/431577275.db2.gz PZDSVKBQYRYZOX-UHFFFAOYSA-N 1 0 322.408 3.259 40 0 DGABRO C[NH+]1CCC(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 ZINC000078618170 431687513 /nfs/dbraw/zinc/68/75/13/431687513.db2.gz JSNMUMPTCKCAGY-JXMROGBWSA-N 1 0 300.446 3.208 40 0 DGABRO C[C@@H]1CN([C@H](C[NH3+])c2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000020009118 288251404 /nfs/dbraw/zinc/25/14/04/288251404.db2.gz VWNPDOBODKGLFJ-GIPNMCIBSA-N 1 0 303.233 3.102 40 0 DGABRO Cc1c(Cl)cccc1NC(=O)COc1cccc(C[NH3+])c1 ZINC000036720785 431841211 /nfs/dbraw/zinc/84/12/11/431841211.db2.gz NMDDBQPMGKUFBO-UHFFFAOYSA-N 1 0 304.777 3.125 40 0 DGABRO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3CC(C)(C)C)n2)cn1 ZINC000035425863 431830264 /nfs/dbraw/zinc/83/02/64/431830264.db2.gz HXTHYZVUCUGQGJ-ZDUSSCGKSA-N 1 0 316.405 3.323 40 0 biogenic,in-vitro DGABRO Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000045756827 431889602 /nfs/dbraw/zinc/88/96/02/431889602.db2.gz NPEXSIMVOZZSRJ-UHFFFAOYSA-N 1 0 324.428 3.176 40 0 DGABRO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000055194565 431977987 /nfs/dbraw/zinc/97/79/87/431977987.db2.gz CFWJIZFJHPHENG-UHFFFAOYSA-N 1 0 324.852 3.100 40 0 DGABRO Cc1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccsc4)C[C@H]3O2)n1 ZINC000096046353 431934987 /nfs/dbraw/zinc/93/49/87/431934987.db2.gz UFQJPTOBGCWOTG-BHYGNILZSA-N 1 0 315.442 3.199 40 0 DGABRO Cc1nccc([C@H]2C[C@@H]3CC[N@H+](Cc4cccs4)C[C@H]3O2)n1 ZINC000096046151 431935354 /nfs/dbraw/zinc/93/53/54/431935354.db2.gz ULHLFCFABBENJC-IAOVAPTHSA-N 1 0 315.442 3.199 40 0 DGABRO Fc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)cc1 ZINC000096048559 431935619 /nfs/dbraw/zinc/93/56/19/431935619.db2.gz XFUMQKSJHUFULB-ZWKOTPCHSA-N 1 0 315.392 3.018 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@H](c4noc(C)n4)O[C@@H]3C2)s1 ZINC000096046396 431935713 /nfs/dbraw/zinc/93/57/13/431935713.db2.gz INKOXPGXYSATOI-AEGPPILISA-N 1 0 319.430 3.100 40 0 DGABRO c1cc(CN2CCC[C@]3(C2)COCC[N@@H+](CC2CC2)C3)cs1 ZINC000096049471 431935935 /nfs/dbraw/zinc/93/59/35/431935935.db2.gz QMVFBUGYJAMRGZ-GOSISDBHSA-N 1 0 320.502 3.073 40 0 DGABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccoc3)C[C@H]12 ZINC000096058446 431936167 /nfs/dbraw/zinc/93/61/67/431936167.db2.gz PETNXQAXLXPEDC-PMACEKPBSA-N 1 0 324.424 3.044 40 0 DGABRO Cc1ccc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)o1 ZINC000096063601 431936309 /nfs/dbraw/zinc/93/63/09/431936309.db2.gz FJNMUXYUXZFLPB-UHFFFAOYSA-N 1 0 324.424 3.043 40 0 DGABRO Fc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3ccco3)C2)o1 ZINC000049170540 431937303 /nfs/dbraw/zinc/93/73/03/431937303.db2.gz NEWNPKZTRKCFBT-LBPRGKRZSA-N 1 0 313.332 3.458 40 0 biogenic,in-vitro DGABRO Cc1nc(CN2CCC23CC[NH+](Cc2ccoc2)CC3)cs1 ZINC000096077985 431937655 /nfs/dbraw/zinc/93/76/55/431937655.db2.gz RMSPQEDANORKEL-UHFFFAOYSA-N 1 0 317.458 3.285 40 0 DGABRO CO[C@H]1CC[N@H+](Cc2cccc(C)n2)C[C@@H]1Cc1ccccc1 ZINC000096110474 431938659 /nfs/dbraw/zinc/93/86/59/431938659.db2.gz QYEQQIZEIILARP-ICSRJNTNSA-N 1 0 310.441 3.470 40 0 DGABRO CO[C@@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110216 431938713 /nfs/dbraw/zinc/93/87/13/431938713.db2.gz HSVAJZRWDUKAAW-VQTJNVASSA-N 1 0 317.473 3.301 40 0 DGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3ccoc3)CC[C@H]2OC)cc1 ZINC000096110232 431938976 /nfs/dbraw/zinc/93/89/76/431938976.db2.gz NREKRLKYPKSBJZ-PKOBYXMFSA-N 1 0 315.413 3.368 40 0 DGABRO COC[C@H]1COCCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096106303 431939145 /nfs/dbraw/zinc/93/91/45/431939145.db2.gz URXQYDROLJMWPU-INIZCTEOSA-N 1 0 307.409 3.091 40 0 DGABRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000096106259 431939216 /nfs/dbraw/zinc/93/92/16/431939216.db2.gz CYIJCWDIFMDDID-GOSISDBHSA-N 1 0 303.446 3.260 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)cc1 ZINC000096159507 431940441 /nfs/dbraw/zinc/94/04/41/431940441.db2.gz KQHVBKYZIKLJGD-HXUWFJFHSA-N 1 0 321.424 3.019 40 0 DGABRO c1csc(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)c1 ZINC000096187877 431941850 /nfs/dbraw/zinc/94/18/50/431941850.db2.gz STXIPLQUPWLERZ-HNNXBMFYSA-N 1 0 317.458 3.003 40 0 DGABRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216929 431942914 /nfs/dbraw/zinc/94/29/14/431942914.db2.gz NCOUIDAYEMYHRY-HXUWFJFHSA-N 1 0 322.456 3.278 40 0 DGABRO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215834 431942930 /nfs/dbraw/zinc/94/29/30/431942930.db2.gz QRUMDJVNZUFVSN-KRWDZBQOSA-N 1 0 307.507 3.477 40 0 DGABRO CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC000096216964 431943035 /nfs/dbraw/zinc/94/30/35/431943035.db2.gz BBBPIQUIVHFUKG-SFHVURJKSA-N 1 0 302.466 3.205 40 0 DGABRO CC(C)C[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC000096244355 431943565 /nfs/dbraw/zinc/94/35/65/431943565.db2.gz MQIKXAUVRNIUHZ-FQEVSTJZSA-N 1 0 323.440 3.273 40 0 DGABRO Cc1ccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)o1 ZINC000096255230 431943596 /nfs/dbraw/zinc/94/35/96/431943596.db2.gz IOFQNGVFEJGRPB-UHFFFAOYSA-N 1 0 320.396 3.041 40 0 DGABRO Cc1ccc2[nH]c(-c3cc(Br)c[n+](C)c3)nc2c1 ZINC000226774315 281023523 /nfs/dbraw/zinc/02/35/23/281023523.db2.gz QPRDILWLODXWBN-UHFFFAOYSA-N 1 0 303.183 3.125 40 0 DGABRO [NH3+]C[C@H]1CC[C@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 ZINC000100768868 431982586 /nfs/dbraw/zinc/98/25/86/431982586.db2.gz VFQIHCZEKIVMNH-AYOQOUSVSA-N 1 0 323.440 3.052 40 0 DGABRO Cc1nc2sc3c(c2c([N+]2=C4C=CC=C[C@H]4N=N2)n1)CCC3 ZINC000101456297 431984641 /nfs/dbraw/zinc/98/46/41/431984641.db2.gz NZSAEOSWVMFEJD-LLVKDONJSA-N 1 0 308.390 3.449 40 0 DGABRO COc1cccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000057728969 431993124 /nfs/dbraw/zinc/99/31/24/431993124.db2.gz LJLCICPURNYGOK-KRWDZBQOSA-N 1 0 310.441 3.402 40 0 DGABRO CC(C)[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000260901784 432428253 /nfs/dbraw/zinc/42/82/53/432428253.db2.gz NZXPBGFQXNBDBW-HOCLYGCPSA-N 1 0 306.425 3.198 40 0 DGABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c2cc(F)ccc21 ZINC000257216033 432418134 /nfs/dbraw/zinc/41/81/34/432418134.db2.gz CSURNDWXUXWRNY-CQSZACIVSA-N 1 0 324.403 3.487 40 0 DGABRO O[C@@H]1CCCOC12CC[NH+](Cc1ccc3ccccc3c1)CC2 ZINC000257204616 432418282 /nfs/dbraw/zinc/41/82/82/432418282.db2.gz AVNIIKOTKZLNMH-LJQANCHMSA-N 1 0 311.425 3.346 40 0 DGABRO Cc1nc([C@H]2CCCCN2C(=O)c2ccccc2)cc2c[nH+]cn21 ZINC000257228289 432419888 /nfs/dbraw/zinc/41/98/88/432419888.db2.gz FTHVJJNQLYLXQT-GOSISDBHSA-N 1 0 320.396 3.405 40 0 DGABRO c1csc(C[N@@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)n1 ZINC000257226943 432420967 /nfs/dbraw/zinc/42/09/67/432420967.db2.gz FMXLWYHKDYZHBB-FOLVSLTJSA-N 1 0 300.427 3.433 40 0 DGABRO CC(C)n1nccc1-c1cnc(C[C@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000257232370 432421451 /nfs/dbraw/zinc/42/14/51/432421451.db2.gz GKOVROSEIOFQCB-OAHLLOKOSA-N 1 0 313.449 3.194 40 0 DGABRO CCn1nccc1-c1nccnc1CC1CC[NH+](C(C)C)CC1 ZINC000257243519 432422679 /nfs/dbraw/zinc/42/26/79/432422679.db2.gz IHIXAKBECCBUHN-UHFFFAOYSA-N 1 0 313.449 3.023 40 0 DGABRO CCCn1cc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)cn1 ZINC000257246475 432423408 /nfs/dbraw/zinc/42/34/08/432423408.db2.gz IUGHUEUQRZZPJV-CQSZACIVSA-N 1 0 304.463 3.204 40 0 DGABRO Cc1cccnc1C[N@@H+]1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257289386 432424284 /nfs/dbraw/zinc/42/42/84/432424284.db2.gz PYJRJNOEIPOFNS-OAHLLOKOSA-N 1 0 307.401 3.041 40 0 DGABRO Cc1cc2nccc(C3CC[NH+](Cc4ccncc4C)CC3)n2n1 ZINC000257265283 432424516 /nfs/dbraw/zinc/42/45/16/432424516.db2.gz LXZVUOBTCSLZTC-UHFFFAOYSA-N 1 0 321.428 3.121 40 0 DGABRO Cc1nc([C@@H]2CCC[NH2+]2)nc2c1CCCN2CCc1ccccc1 ZINC000257268265 432425021 /nfs/dbraw/zinc/42/50/21/432425021.db2.gz MKXVKIVCALQTHC-SFHVURJKSA-N 1 0 322.456 3.205 40 0 DGABRO CC[C@@H](Oc1ccccc1C)C(=O)NCCC[NH+]1CCCCC1 ZINC000216324651 432650647 /nfs/dbraw/zinc/65/06/47/432650647.db2.gz FKGKSBHSZWBCBM-QGZVFWFLSA-N 1 0 318.461 3.145 40 0 DGABRO Cc1cccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000225731790 432695862 /nfs/dbraw/zinc/69/58/62/432695862.db2.gz UYGHSBNXHZUJRS-ZIAGYGMSSA-N 1 0 320.506 3.044 40 0 DGABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225692395 432696200 /nfs/dbraw/zinc/69/62/00/432696200.db2.gz CBSDXTDAJDQWSQ-SFHVURJKSA-N 1 0 322.449 3.161 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccccc1OC ZINC000225769098 432696924 /nfs/dbraw/zinc/69/69/24/432696924.db2.gz CPZZXMODMNYKCA-OAHLLOKOSA-N 1 0 319.449 3.471 40 0 DGABRO O=C(NCC[NH+]1CCCCC1)c1ccc2nc(Cl)sc2c1 ZINC000225975551 432701567 /nfs/dbraw/zinc/70/15/67/432701567.db2.gz KRLGMXTUUKHHFE-UHFFFAOYSA-N 1 0 323.849 3.165 40 0 DGABRO CCc1ccc(CC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000224875278 432685647 /nfs/dbraw/zinc/68/56/47/432685647.db2.gz NNKMNXGLZWUFTQ-MRXNPFEDSA-N 1 0 302.462 3.030 40 0 DGABRO Cc1coc(C)c1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000285432674 433948007 /nfs/dbraw/zinc/94/80/07/433948007.db2.gz XVQDWOOTVJNGLN-UHFFFAOYSA-N 1 0 306.450 3.384 40 0 DGABRO Cc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC(C)C)[nH+]1 ZINC000328989003 434339769 /nfs/dbraw/zinc/33/97/69/434339769.db2.gz IHMVSIXDMLQDAG-UHFFFAOYSA-N 1 0 310.445 3.903 40 0 DGABRO CC[C@H](C)Nc1nc(N2Cc3ccccc3C[C@H]2C)cc(C)[nH+]1 ZINC000329027132 434343920 /nfs/dbraw/zinc/34/39/20/434343920.db2.gz PRDKYBMDJMGRDR-DZGCQCFKSA-N 1 0 310.445 3.947 40 0 DGABRO C[C@H]([NH+]1CCN(C)CC1)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000019365814 299007421 /nfs/dbraw/zinc/00/74/21/299007421.db2.gz WEMKXTZKYQLYKL-FXAWDEMLSA-N 1 0 316.489 3.090 40 0 DGABRO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc2ncccc2c1 ZINC000657456255 436210262 /nfs/dbraw/zinc/21/02/62/436210262.db2.gz FHICDMKTCNUKMX-UHFFFAOYSA-N 1 0 320.318 3.277 40 0 DGABRO CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(F)cc1C(F)(F)F ZINC000199831796 563515840 /nfs/dbraw/zinc/51/58/40/563515840.db2.gz YYGGFTKOLVBOCY-NSHDSACASA-N 1 0 307.287 3.056 40 0 DGABRO Cc1cc(NC(=O)C2CC[NH+](C)CC2)ccc1Br ZINC000074713430 185011470 /nfs/dbraw/zinc/01/14/70/185011470.db2.gz WIWDISHQJOIQKL-UHFFFAOYSA-N 1 0 311.223 3.038 40 0 DGABRO C[N@@H+]1CCC[C@@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 ZINC000306134468 530055532 /nfs/dbraw/zinc/05/55/32/530055532.db2.gz NOQSLUIAFGHJRK-OAHLLOKOSA-N 1 0 310.376 3.345 40 0 DGABRO COc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000067800563 190722094 /nfs/dbraw/zinc/72/20/94/190722094.db2.gz BIFDRMKMOMFVCU-UHFFFAOYSA-N 1 0 320.433 3.184 40 0 DGABRO C[C@H](c1ccccn1)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000072203850 191076168 /nfs/dbraw/zinc/07/61/68/191076168.db2.gz AYFNPRZQJBDNGG-CYBMUJFWSA-N 1 0 305.422 3.132 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cc(C)ccn1 ZINC000225584983 186280520 /nfs/dbraw/zinc/28/05/20/186280520.db2.gz NOHXJDABUZOZMM-OAHLLOKOSA-N 1 0 320.506 3.331 40 0 DGABRO c1cn(-c2cncc(C3CC[NH+](C4CCCCC4)CC3)n2)cn1 ZINC000072355523 191130677 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c1coc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)c1 ZINC000107711921 432037757 /nfs/dbraw/zinc/03/77/57/432037757.db2.gz AXHWVVFYWPBOKW-ROUUACIJSA-N 1 0 305.418 3.077 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)o1 ZINC000107751983 432038689 /nfs/dbraw/zinc/03/86/89/432038689.db2.gz CKHUCMLMMYHWJX-OALUTQOASA-N 1 0 319.445 3.386 40 0 DGABRO C[NH+]1CCC(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000074920975 191388678 /nfs/dbraw/zinc/38/86/78/191388678.db2.gz RLLOIUSCZNAIJX-UHFFFAOYSA-N 1 0 314.473 3.200 40 0 DGABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)Cn1cc(C=O)c2ccccc21 ZINC000005520942 181253386 /nfs/dbraw/zinc/25/33/86/181253386.db2.gz OHTDILXTEPRBOP-YQQAZPJKSA-N 1 0 314.429 3.078 40 0 DGABRO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(F)ccc1F ZINC000005511660 181251957 /nfs/dbraw/zinc/25/19/57/181251957.db2.gz XJOIBUJGSSKITJ-BLLLJJGKSA-N 1 0 309.356 3.386 40 0 DGABRO C/C(=C\c1ccccc1)C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000179494431 432060101 /nfs/dbraw/zinc/06/01/01/432060101.db2.gz BNPYYSJUDQUOEI-BMRADRMJSA-N 1 0 322.456 3.401 40 0 DGABRO NC(=[NH2+])SCc1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000089262040 192752466 /nfs/dbraw/zinc/75/24/66/192752466.db2.gz IFYRWBVJPXZMGZ-UHFFFAOYSA-N 1 0 303.174 3.170 40 0 DGABRO CCCCOC(=O)c1ccc(NC(=O)[C@H](C)[NH+](CC)CC)cc1 ZINC000005973671 181302680 /nfs/dbraw/zinc/30/26/80/181302680.db2.gz ATPLKGMFZLAOQD-AWEZNQCLSA-N 1 0 320.433 3.312 40 0 DGABRO Cc1cc(C)c(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000006008548 181305556 /nfs/dbraw/zinc/30/55/56/181305556.db2.gz KNQHFBWODOQHRM-RVKKMQEKSA-N 1 0 305.462 3.329 40 0 DGABRO O=C1OC2(CN1c1cccc([C@H]3CCC[NH2+]C3)n1)CCCCC2 ZINC000257270695 203000461 /nfs/dbraw/zinc/00/04/61/203000461.db2.gz MVHBHZMHUZYXLP-AWEZNQCLSA-N 1 0 315.417 3.208 40 0 DGABRO CCN1CCC([N@@H+]2CCC[C@H](Cc3ccc(C)nc3)C2)CC1 ZINC000257295455 203021710 /nfs/dbraw/zinc/02/17/10/203021710.db2.gz QYIZUXDCWSEKKA-GOSISDBHSA-N 1 0 301.478 3.129 40 0 DGABRO Cc1cnc(Nc2cc([C@H]3CC[N@@H+](C(C)C)C3)nc(C)n2)s1 ZINC000257300723 203024931 /nfs/dbraw/zinc/02/49/31/203024931.db2.gz RVLNYMOCTOWCPI-ZDUSSCGKSA-N 1 0 317.462 3.491 40 0 DGABRO Cc1cc(NC2CC3(C2)CC[N@H+](Cc2ccsc2)C3)ncn1 ZINC000257300360 203026013 /nfs/dbraw/zinc/02/60/13/203026013.db2.gz RTYXIQALUZXSQW-UHFFFAOYSA-N 1 0 314.458 3.313 40 0 DGABRO Cn1ccnc1C[N@@H+]1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257278556 203007072 /nfs/dbraw/zinc/00/70/72/203007072.db2.gz OCRYBMARKRHVFE-HNNXBMFYSA-N 1 0 306.413 3.033 40 0 DGABRO CC(C)[N@@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000257289364 203016433 /nfs/dbraw/zinc/01/64/33/203016433.db2.gz PYHFSNXKDYDGQM-MAUKXSAKSA-N 1 0 304.409 3.062 40 0 DGABRO CNc1cc([C@H]2CCC[N@H+](Cc3ccnn3C(C)C)C2)ccn1 ZINC000257329114 203052147 /nfs/dbraw/zinc/05/21/47/203052147.db2.gz XINMLWWGURRGPB-INIZCTEOSA-N 1 0 313.449 3.280 40 0 DGABRO Cc1ncsc1C[N@H+]1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257314264 203038729 /nfs/dbraw/zinc/03/87/29/203038729.db2.gz UWCOTCDZYNHMTH-VNQPRFMTSA-N 1 0 315.442 3.136 40 0 DGABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3sccc3C)C2)c1 ZINC000257316791 203040055 /nfs/dbraw/zinc/04/00/55/203040055.db2.gz VHABEZPQGVBIGC-CYBMUJFWSA-N 1 0 315.442 3.431 40 0 DGABRO Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc(C[NH+](C)C)cn2)c1 ZINC000257327096 203050182 /nfs/dbraw/zinc/05/01/82/203050182.db2.gz WZXFVRCNPKVCNO-LJQANCHMSA-N 1 0 323.440 3.429 40 0 DGABRO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095080826 193417842 /nfs/dbraw/zinc/41/78/42/193417842.db2.gz XZRJUWDOUWQDRA-MRXNPFEDSA-N 1 0 304.434 3.423 40 0 DGABRO CCOc1ccccc1NC(=S)NCCC[NH+]1CCCCC1 ZINC000018162530 182095730 /nfs/dbraw/zinc/09/57/30/182095730.db2.gz PYRUQILTAFYZLD-UHFFFAOYSA-N 1 0 321.490 3.248 40 0 DGABRO CC(C)(C)c1noc([C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000019084617 182104559 /nfs/dbraw/zinc/10/45/59/182104559.db2.gz LDFRYVYRYLQATE-CYBMUJFWSA-N 1 0 303.381 3.496 40 0 DGABRO CN(C)c1ncc(C[NH2+][C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccccc2)cn1 ZINC000019585570 182131977 /nfs/dbraw/zinc/13/19/77/182131977.db2.gz NISXXCWSZBUJAB-FCGDIQPGSA-N 1 0 322.456 3.215 40 0 DGABRO CCc1ccccc1O[C@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000020452516 182218572 /nfs/dbraw/zinc/21/85/72/182218572.db2.gz ZUICKBPOESAAAK-MRXNPFEDSA-N 1 0 318.461 3.009 40 0 DGABRO O=C(CSCc1ccc(F)cc1)NCCC[NH+]1CCCCC1 ZINC000020454395 182219465 /nfs/dbraw/zinc/21/94/65/182219465.db2.gz IEVBDVSPNYFCFR-UHFFFAOYSA-N 1 0 324.465 3.051 40 0 DGABRO CC[NH+](CC)CCNCc1cc(Cl)cc(Cl)c1OC ZINC000022074948 182307750 /nfs/dbraw/zinc/30/77/50/182307750.db2.gz MFGPARUWDYXDOD-UHFFFAOYSA-N 1 0 305.249 3.433 40 0 DGABRO CCOc1cc(CNCC[NH+](CC)CC)cc(Cl)c1OC ZINC000022076074 182308731 /nfs/dbraw/zinc/30/87/31/182308731.db2.gz AUMYCJTVWRHUKV-UHFFFAOYSA-N 1 0 314.857 3.179 40 0 DGABRO Cc1ccccc1O[C@H](C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000022525147 182325033 /nfs/dbraw/zinc/32/50/33/182325033.db2.gz WKASXZUMOVICKH-QGZVFWFLSA-N 1 0 318.461 3.145 40 0 DGABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)c2ccccc2)c2ccccn2)CC1 ZINC000100750003 193803930 /nfs/dbraw/zinc/80/39/30/193803930.db2.gz VCCBWXJLVRBABR-JTDSTZFVSA-N 1 0 323.440 3.318 40 0 DGABRO O=C(NCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832768 183010924 /nfs/dbraw/zinc/01/09/24/183010924.db2.gz YSBZUCBAAFRCEM-IBGZPJMESA-N 1 0 308.425 3.215 40 0 DGABRO O=C(Cc1ccccc1Cl)NCCC[NH+]1CCCCCC1 ZINC000057288911 184031977 /nfs/dbraw/zinc/03/19/77/184031977.db2.gz WVVDTWLMLRZCGB-UHFFFAOYSA-N 1 0 308.853 3.265 40 0 DGABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000060322502 184145903 /nfs/dbraw/zinc/14/59/03/184145903.db2.gz QHDVLCQPBLLMGY-INIZCTEOSA-N 1 0 302.462 3.368 40 0 DGABRO CC1CC[NH+](CCCNC(=O)Cc2ccccc2Cl)CC1 ZINC000061553603 184174526 /nfs/dbraw/zinc/17/45/26/184174526.db2.gz OFJXPROUUWUONY-UHFFFAOYSA-N 1 0 308.853 3.121 40 0 DGABRO O=C1c2ccccc2[N+](=O)C1c1ccc(Br)cc1 ZINC000001618484 285026666 /nfs/dbraw/zinc/02/66/66/285026666.db2.gz BHXMNNKOGJBVFU-UHFFFAOYSA-N 1 0 302.127 3.277 40 0 DGABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccccc2OC(F)(F)F)C1 ZINC000021008944 296400124 /nfs/dbraw/zinc/40/01/24/296400124.db2.gz FALFGAHFGMNHNS-YPMHNXCESA-N 1 0 302.340 3.317 40 0 DGABRO O[C@@H]1C2CC[NH+](CC2)[C@H]1[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000001688575 285309090 /nfs/dbraw/zinc/30/90/90/285309090.db2.gz YDKJBGPGEVAPRN-SLFFLAALSA-N 1 0 311.400 3.413 40 0 DGABRO Cc1cc(N2CCOCC2)ncc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072219421 257123868 /nfs/dbraw/zinc/12/38/68/257123868.db2.gz VIDJGQUFTPNBTP-QGZVFWFLSA-N 1 0 303.450 3.162 40 0 DGABRO CC(=O)N1CCCC[C@@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219255 257124217 /nfs/dbraw/zinc/12/42/17/257124217.db2.gz SKABCDFQVVFAHV-QGZVFWFLSA-N 1 0 301.434 3.454 40 0 DGABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219644 257124523 /nfs/dbraw/zinc/12/45/23/257124523.db2.gz HZXUCJMXHCSPMM-KRWDZBQOSA-N 1 0 303.450 3.164 40 0 DGABRO COCO[C@@H]1CCCN(c2ccccc2[C@H]([NH3+])CC(C)C)C1 ZINC000504544567 257144748 /nfs/dbraw/zinc/14/47/48/257144748.db2.gz HVWGQJMMDGGTPN-NVXWUHKLSA-N 1 0 306.450 3.322 40 0 DGABRO O=C(c1ccccc1F)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238811215 257213714 /nfs/dbraw/zinc/21/37/14/257213714.db2.gz AIYNANIMJATURU-QGZVFWFLSA-N 1 0 324.399 3.099 40 0 DGABRO Cc1cc2cc(C(=O)N3CCCC[C@H]4C[NH2+]CC[C@H]43)ccc2o1 ZINC000257270623 292019197 /nfs/dbraw/zinc/01/91/97/292019197.db2.gz MUYQGOAOJWXVIM-DOTOQJQBSA-N 1 0 312.413 3.345 40 0 DGABRO Cc1cccc(F)c1C(=O)N1CCC2(CCCC[N@H+]2C)CC1 ZINC000585102450 400125239 /nfs/dbraw/zinc/12/52/39/400125239.db2.gz NTQAMTQHLDWQSW-UHFFFAOYSA-N 1 0 304.409 3.225 40 0 DGABRO CCOCC[C@@H]1CCOC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585105267 400125553 /nfs/dbraw/zinc/12/55/53/400125553.db2.gz RSDAQPBDMZXKTP-MRXNPFEDSA-N 1 0 307.434 3.386 40 0 DGABRO CCC(CC)C(=O)N1CCC[C@@H](c2cncc3c[nH+]c(C)n32)C1 ZINC000585182548 400130142 /nfs/dbraw/zinc/13/01/42/400130142.db2.gz LGFJCCVKCSGPIQ-OAHLLOKOSA-N 1 0 314.433 3.180 40 0 DGABRO CCN(C(=O)Cc1ccccc1)[C@@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000019695628 400186631 /nfs/dbraw/zinc/18/66/31/400186631.db2.gz BPLQMYYUMWAVKY-SFHVURJKSA-N 1 0 314.473 3.485 40 0 DGABRO C[C@@]12CC[N@H+](Cc3ccnc4ccccc34)[C@@H]1CCCCC(=O)N2 ZINC000019713722 400187068 /nfs/dbraw/zinc/18/70/68/400187068.db2.gz JQKDFLFQVIWNEI-UYAOXDASSA-N 1 0 323.440 3.258 40 0 DGABRO C[C@H]1CN([C@@H](C[NH3+])c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000036108195 400388667 /nfs/dbraw/zinc/38/86/67/400388667.db2.gz XFLUILIYAOXTNV-BHDSKKPTSA-N 1 0 303.233 3.102 40 0 DGABRO c1ccc(CO[C@@H]2CCCC[C@H]2[N@@H+]2CCN[C@@H]3CCC[C@@H]32)cc1 ZINC000225718051 400959941 /nfs/dbraw/zinc/95/99/41/400959941.db2.gz AOIYHYXUOPSXOB-IYWMVGAKSA-N 1 0 314.473 3.341 40 0 DGABRO c1ccc(CO[C@H]2CCCC[C@@H]2[N@@H+]2CCN[C@@H]3CCC[C@@H]32)cc1 ZINC000225718024 400959971 /nfs/dbraw/zinc/95/99/71/400959971.db2.gz AOIYHYXUOPSXOB-FYQPLNBISA-N 1 0 314.473 3.341 40 0 DGABRO COc1ccc(C[N@H+]2Cc3cc4c(cc3[C@@H](O)C2)CCC4)cc1 ZINC000095470458 274110022 /nfs/dbraw/zinc/11/00/22/274110022.db2.gz BMPYXBWTVXCMFX-FQEVSTJZSA-N 1 0 309.409 3.233 40 0 DGABRO O=C1OC[C@@H]2CC[N@H+](C3CCCC3)Cc3ccc(F)cc3N12 ZINC000225486465 275027103 /nfs/dbraw/zinc/02/71/03/275027103.db2.gz USFLKNNYKQCNMV-HNNXBMFYSA-N 1 0 304.365 3.299 40 0 biogenic,in-vitro DGABRO CC(C)(C)OC(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC000066351298 275518473 /nfs/dbraw/zinc/51/84/73/275518473.db2.gz AHNPIPNEOCUYGQ-UHFFFAOYSA-N 1 0 302.418 3.059 40 0 DGABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@]1(CCC2)COCC[NH2+]1 ZINC000306145674 277204840 /nfs/dbraw/zinc/20/48/40/277204840.db2.gz NDUHNNGSECMSAW-GOSISDBHSA-N 1 0 318.417 3.185 40 0 DGABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000000240342 431150298 /nfs/dbraw/zinc/15/02/98/431150298.db2.gz KSBZZJRLSSHLLD-VBQJREDUSA-N 1 0 311.853 3.195 40 0 DGABRO CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)[NH+](CC)CC)cc1 ZINC000001671422 431235679 /nfs/dbraw/zinc/23/56/79/431235679.db2.gz ATPLKGMFZLAOQD-CQSZACIVSA-N 1 0 320.433 3.312 40 0 DGABRO Cc1ccc(NC(=S)NCCC[NH+]2CCCC2)cc1Cl ZINC000007026931 431330280 /nfs/dbraw/zinc/33/02/80/431330280.db2.gz IQZQBFCKBDJDMH-UHFFFAOYSA-N 1 0 311.882 3.421 40 0 DGABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Br)s1 ZINC000072324664 431336420 /nfs/dbraw/zinc/33/64/20/431336420.db2.gz DHYMOBDSLLFTKQ-MNOVXSKESA-N 1 0 315.280 3.179 40 0 DGABRO CCOCCC[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007538983 431353781 /nfs/dbraw/zinc/35/37/81/431353781.db2.gz YNXHLESEINZYPA-UHFFFAOYSA-N 1 0 317.385 3.249 40 0 DGABRO CCOc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1cccs1 ZINC000008254748 431388001 /nfs/dbraw/zinc/38/80/01/431388001.db2.gz UDNLOXJGNCHVNV-ZDUSSCGKSA-N 1 0 321.442 3.196 40 0 DGABRO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000008326351 431394564 /nfs/dbraw/zinc/39/45/64/431394564.db2.gz WACZRYDVZAAEEL-AWEZNQCLSA-N 1 0 321.442 3.196 40 0 DGABRO Cc1ccc(OCCCC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000010279932 431456741 /nfs/dbraw/zinc/45/67/41/431456741.db2.gz IRNINQRLCRAHSX-UHFFFAOYSA-N 1 0 318.461 3.146 40 0 DGABRO C[C@H](Sc1ccccc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010540283 431463875 /nfs/dbraw/zinc/46/38/75/431463875.db2.gz UQIYRSJJFJMERZ-INIZCTEOSA-N 1 0 320.502 3.405 40 0 DGABRO O=C(NCCC[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000010449999 431464860 /nfs/dbraw/zinc/46/48/60/431464860.db2.gz JFMLNVLVHTWURB-UHFFFAOYSA-N 1 0 301.217 3.209 40 0 DGABRO Cn1nc(C2CC[NH+](Cc3ccccc3)CC2)c2cccnc21 ZINC000012670237 431522771 /nfs/dbraw/zinc/52/27/71/431522771.db2.gz XIQYYUQYEZMPNI-UHFFFAOYSA-N 1 0 306.413 3.348 40 0 DGABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]CCc3ccccc3)cc2c1 ZINC000013566543 431561032 /nfs/dbraw/zinc/56/10/32/431561032.db2.gz JOBHRVZYHWKVOE-UHFFFAOYSA-N 1 0 306.409 3.477 40 0 DGABRO O=C(Cc1ccc(Cl)cc1)NCCC[NH+]1CCCCCC1 ZINC000013671000 431564345 /nfs/dbraw/zinc/56/43/45/431564345.db2.gz IURDBDDATFAUMY-UHFFFAOYSA-N 1 0 308.853 3.265 40 0 DGABRO C[C@@H](Oc1ccccc1Cl)C(=O)NCC[NH+]1CCCCCC1 ZINC000013710080 431567152 /nfs/dbraw/zinc/56/71/52/431567152.db2.gz DGOLYTCAMAIGKR-CQSZACIVSA-N 1 0 324.852 3.100 40 0 DGABRO NC(=[NH2+])CCc1cc(Br)c(Br)s1 ZINC000026898009 431680969 /nfs/dbraw/zinc/68/09/69/431680969.db2.gz ZYNLHWOPXHPZNZ-UHFFFAOYSA-N 1 0 312.030 3.142 40 0 DGABRO CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221053 431701775 /nfs/dbraw/zinc/70/17/75/431701775.db2.gz OHEIXLBMIIKYCY-UKRRQHHQSA-N 1 0 308.853 3.467 40 0 DGABRO [NH3+]Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000036720730 431840942 /nfs/dbraw/zinc/84/09/42/431840942.db2.gz HNEYUJZXYRACOO-UHFFFAOYSA-N 1 0 324.302 3.182 40 0 DGABRO Cc1cc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1Cl ZINC000037530400 431847754 /nfs/dbraw/zinc/84/77/54/431847754.db2.gz ASCOOIJCINVEAP-GUTXKFCHSA-N 1 0 311.853 3.366 40 0 DGABRO Cc1ccc(C)c(CC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000044950187 431879479 /nfs/dbraw/zinc/87/94/79/431879479.db2.gz OSDCUKDKSBLHKL-IAGOWNOFSA-N 1 0 316.489 3.330 40 0 DGABRO C[C@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(=[NH2+])N1 ZINC000098091479 431977512 /nfs/dbraw/zinc/97/75/12/431977512.db2.gz MJQMRGWYPNIERM-OAHLLOKOSA-N 1 0 320.368 3.089 40 0 in-vitro DGABRO Cc1ccsc1C[N@@H+]1CC[C@H]2C[C@@H](c3ccncn3)O[C@@H]2C1 ZINC000096046340 431935591 /nfs/dbraw/zinc/93/55/91/431935591.db2.gz WNYALPVWUZZYGB-CWRNSKLLSA-N 1 0 315.442 3.199 40 0 DGABRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccoc4)C3)CC2=O)s1 ZINC000096077961 431937848 /nfs/dbraw/zinc/93/78/48/431937848.db2.gz CGZBQHBPIDFFRO-KRWDZBQOSA-N 1 0 316.426 3.279 40 0 DGABRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000096100278 431938014 /nfs/dbraw/zinc/93/80/14/431938014.db2.gz IIGPUBGFLMPJLK-GOSISDBHSA-N 1 0 324.424 3.118 40 0 DGABRO c1cncc(COC[C@@H]2CC3(CO2)CC[NH+](C2CCC2)CC3)c1 ZINC000096106156 431938538 /nfs/dbraw/zinc/93/85/38/431938538.db2.gz MRFYQGIHRDRDSW-SFHVURJKSA-N 1 0 316.445 3.022 40 0 DGABRO CO[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1Cc1cccc(C)c1 ZINC000096111158 431938577 /nfs/dbraw/zinc/93/85/77/431938577.db2.gz JJUMKQQLRQKWPC-AZUAARDMSA-N 1 0 310.441 3.470 40 0 DGABRO c1cc(C[N@H+]2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cs1 ZINC000096107246 431938744 /nfs/dbraw/zinc/93/87/44/431938744.db2.gz AAONOPOVCOGAGK-SJORKVTESA-N 1 0 307.459 3.298 40 0 DGABRO CCC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096158409 431940949 /nfs/dbraw/zinc/94/09/49/431940949.db2.gz ALGVKKUESULGTM-UHFFFAOYSA-N 1 0 318.436 3.440 40 0 DGABRO CCc1ccc(C[NH+]2CCC3(CN(c4ccccc4)C3=O)CC2)o1 ZINC000096202915 431942596 /nfs/dbraw/zinc/94/25/96/431942596.db2.gz RSRDBAHRDUIFIH-UHFFFAOYSA-N 1 0 324.424 3.471 40 0 DGABRO CCO[C@H]1CC[N@H+](CC2CCOCC2)[C@H]1Cc1ccccc1 ZINC000096200401 431942640 /nfs/dbraw/zinc/94/26/40/431942640.db2.gz WWLLNIPHRNFIBD-OALUTQOASA-N 1 0 303.446 3.135 40 0 DGABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(c3ncccn3)C[C@@H]21 ZINC000096251697 431944037 /nfs/dbraw/zinc/94/40/37/431944037.db2.gz PLKQPCIXWDEQRD-BZSNNMDCSA-N 1 0 308.429 3.092 40 0 DGABRO Cc1ccccc1C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21 ZINC000096244934 431944243 /nfs/dbraw/zinc/94/42/43/431944243.db2.gz NBHPFSUAVZIGRN-MJGOQNOKSA-N 1 0 321.424 3.343 40 0 DGABRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000098181653 431980347 /nfs/dbraw/zinc/98/03/47/431980347.db2.gz UXQRAMZRGNHVQQ-MRXNPFEDSA-N 1 0 304.434 3.375 40 0 DGABRO CC(C)(C)OC(=O)NCC1(c2ccccc2Cl)CC[NH2+]CC1 ZINC000098213777 431980363 /nfs/dbraw/zinc/98/03/63/431980363.db2.gz BHLQMYIYBUTVSA-UHFFFAOYSA-N 1 0 324.852 3.486 40 0 DGABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000054148119 431967758 /nfs/dbraw/zinc/96/77/58/431967758.db2.gz QPCFQJGWIQATFQ-HNNXBMFYSA-N 1 0 318.461 3.096 40 0 DGABRO CCn1ncc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1C ZINC000057810976 431993663 /nfs/dbraw/zinc/99/36/63/431993663.db2.gz UTDXRCOBSQWBFH-LJQANCHMSA-N 1 0 313.445 3.393 40 0 DGABRO Fc1ccccc1OCCC[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257217798 432417649 /nfs/dbraw/zinc/41/76/49/432417649.db2.gz DAQUGXPOHJYQPC-HNNXBMFYSA-N 1 0 315.392 3.264 40 0 DGABRO Fc1ccccc1OCCC[NH+]1CCC(c2cnccn2)CC1 ZINC000257217125 432418759 /nfs/dbraw/zinc/41/87/59/432418759.db2.gz CXOBTNCPWRYGAA-UHFFFAOYSA-N 1 0 315.392 3.264 40 0 DGABRO Fc1ccc(C[NH+]2CC3(C2)CO[C@@H](Cc2cccnc2)C3)cc1 ZINC000257222117 432419623 /nfs/dbraw/zinc/41/96/23/432419623.db2.gz DRZOLXXJPWGIJW-SFHVURJKSA-N 1 0 312.388 3.054 40 0 DGABRO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2cccs2)ccn1 ZINC000257231633 432419692 /nfs/dbraw/zinc/41/96/92/432419692.db2.gz GHOSGNHDPKPOCD-QGZVFWFLSA-N 1 0 315.442 3.116 40 0 DGABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3ccsc3)C2)c1 ZINC000257236359 432419965 /nfs/dbraw/zinc/41/99/65/432419965.db2.gz HBUCYDMCMFFFRM-LBPRGKRZSA-N 1 0 301.415 3.123 40 0 DGABRO CCCCn1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257250316 432423113 /nfs/dbraw/zinc/42/31/13/432423113.db2.gz JMAHIDKXNMJZMK-MRXNPFEDSA-N 1 0 315.465 3.403 40 0 DGABRO Cc1nc(Nc2cc(C)nc([C@@H]3CCC[NH2+]C3)n2)sc1C ZINC000257265208 432423816 /nfs/dbraw/zinc/42/38/16/432423816.db2.gz LXSSCXSZPXLILS-GFCCVEGCSA-N 1 0 303.435 3.069 40 0 DGABRO c1cc2cc(C[C@@H]3COCC[N@H+](Cc4cccnc4)C3)ccc2[nH]1 ZINC000257331911 432424392 /nfs/dbraw/zinc/42/43/92/432424392.db2.gz XUUITLPNWSKXAI-SFHVURJKSA-N 1 0 321.424 3.254 40 0 DGABRO CNc1cc([C@@H]2CCC[N@H+](Cc3scnc3C)C2)ccn1 ZINC000257335037 432424443 /nfs/dbraw/zinc/42/44/43/432424443.db2.gz YIKYHRCMSUDHNF-CQSZACIVSA-N 1 0 302.447 3.268 40 0 DGABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCCC1 ZINC000216384288 432650875 /nfs/dbraw/zinc/65/08/75/432650875.db2.gz BEEOFAPQVKPXMD-MRXNPFEDSA-N 1 0 324.852 3.100 40 0 DGABRO O=C1OC[C@@H]2CC[N@H+](Cc3ccccc3)Cc3ccccc3N12 ZINC000225481937 432692684 /nfs/dbraw/zinc/69/26/84/432692684.db2.gz RBMYXLFHYNYHRW-KRWDZBQOSA-N 1 0 308.381 3.418 40 0 biogenic,in-vitro DGABRO CC[n+]1cc(Br)cc(-c2nc3ccccc3[nH]2)c1 ZINC000226774290 432708177 /nfs/dbraw/zinc/70/81/77/432708177.db2.gz RQFJBAJKVZDRIZ-UHFFFAOYSA-N 1 0 303.183 3.300 40 0 DGABRO c1nc(Nc2cnc([C@@H]3CCC[NH2+]3)cn2)sc1-c1ccccc1 ZINC000585263138 435292805 /nfs/dbraw/zinc/29/28/05/435292805.db2.gz OGCVODUHQDTBIX-ZDUSSCGKSA-N 1 0 323.425 3.768 40 0 DGABRO CCC[N@@H+]1CC[C@H]2CC(=O)Nc3cc(F)ccc3OCC[C@H]2C1 ZINC001534646924 1187912874 /nfs/dbraw/zinc/91/28/74/1187912874.db2.gz WMZPTDLRURXYDW-KBPBESRZSA-N 1 0 320.408 3.285 40 0 DGABRO O=C1C[C@@H]2CC[N@H+](CC3CC3)C[C@@H]2CCOc2ccccc2N1 ZINC001534646541 1187912897 /nfs/dbraw/zinc/91/28/97/1187912897.db2.gz NDAQALGWVPSGFK-HOTGVXAUSA-N 1 0 314.429 3.146 40 0 DGABRO c1coc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)c1 ZINC000306125081 231084045 /nfs/dbraw/zinc/08/40/45/231084045.db2.gz CGJWHTIQXRFTRA-IAGOWNOFSA-N 1 0 319.408 3.447 40 0 DGABRO c1cn(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000072350481 191127898 /nfs/dbraw/zinc/12/78/98/191127898.db2.gz MRHFAKLTJFBQAJ-QGZVFWFLSA-N 1 0 319.412 3.042 40 0 DGABRO c1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@H](c3cnccn3)C1)CO2 ZINC000072369387 191139719 /nfs/dbraw/zinc/13/97/19/191139719.db2.gz SCVWAXSAXCTDRJ-QGZVFWFLSA-N 1 0 307.397 3.132 40 0 DGABRO COc1cc(NCC[C@H]2CCCC[NH2+]2)c2ncccc2c1OC ZINC000001873644 180900133 /nfs/dbraw/zinc/90/01/33/180900133.db2.gz LZODSECXHSCNMZ-CYBMUJFWSA-N 1 0 315.417 3.196 40 0 DGABRO COc1cc(NCCCCCC[NH3+])c2ncccc2c1OC ZINC000001873634 180900179 /nfs/dbraw/zinc/90/01/79/180900179.db2.gz DWYYPHBWAAFIRH-UHFFFAOYSA-N 1 0 303.406 3.183 40 0 DGABRO Cc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COC(C)C)C2)n1 ZINC000107712816 432037272 /nfs/dbraw/zinc/03/72/72/432037272.db2.gz ZBZVUIRSKQEMEE-OALUTQOASA-N 1 0 318.461 3.186 40 0 DGABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000067801298 432040997 /nfs/dbraw/zinc/04/09/97/432040997.db2.gz AYYXKFMEIZHHDU-AWEZNQCLSA-N 1 0 308.397 3.315 40 0 DGABRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000004769364 181149642 /nfs/dbraw/zinc/14/96/42/181149642.db2.gz JURXGSRGDJSVBS-HNNXBMFYSA-N 1 0 313.445 3.248 40 0 DGABRO CC(C)[C@H]1CCC[C@@H](C)[C@H]1[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000004825140 181157458 /nfs/dbraw/zinc/15/74/58/181157458.db2.gz SBOOCUVWKAXDSY-ZTFGCOKTSA-N 1 0 318.461 3.476 40 0 DGABRO O=c1nc(C[NH2+]C2CCCCC2)[nH]c2sc3c(c21)CCCC3 ZINC000004848700 181162377 /nfs/dbraw/zinc/16/23/77/181162377.db2.gz RRBDOGPNRDVRFA-UHFFFAOYSA-N 1 0 317.458 3.286 40 0 DGABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1)C1CC1 ZINC000004888087 181168547 /nfs/dbraw/zinc/16/85/47/181168547.db2.gz LVXGCGTZFCANHR-GOOCMWNKSA-N 1 0 304.459 3.160 40 0 DGABRO CCCOc1ccc(C(=O)N2CC[NH+]=Cc3cc(N)ccc32)cc1 ZINC000073642385 191335470 /nfs/dbraw/zinc/33/54/70/191335470.db2.gz BXDOLBQJKALAOF-UHFFFAOYSA-N 1 0 323.396 3.137 40 0 DGABRO C[NH+]1CCC(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000074921026 191388782 /nfs/dbraw/zinc/38/87/82/191388782.db2.gz YFHKKWWJDDZSDP-UHFFFAOYSA-N 1 0 300.324 3.376 40 0 DGABRO CCOc1ccc(C[NH2+]CCCSc2ncccn2)cc1 ZINC000004984101 181184538 /nfs/dbraw/zinc/18/45/38/181184538.db2.gz WDTSFRGZOSIFQC-UHFFFAOYSA-N 1 0 303.431 3.147 40 0 DGABRO C[NH2+][C@H](Cc1ccccc1)c1cc(OC)c(OC)c(OC)c1 ZINC000006481897 181344196 /nfs/dbraw/zinc/34/41/96/181344196.db2.gz RUNQPMFFKWULFL-OAHLLOKOSA-N 1 0 301.386 3.216 40 0 DGABRO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000006500837 181346360 /nfs/dbraw/zinc/34/63/60/181346360.db2.gz IVCXCGOXNLBOKU-LJQANCHMSA-N 1 0 311.425 3.101 40 0 DGABRO CC(C)[NH+]1CCC(c2ccnc(Nc3cc(F)ccn3)n2)CC1 ZINC000257255891 202988765 /nfs/dbraw/zinc/98/87/65/202988765.db2.gz KJIBPVUMXHJLLA-UHFFFAOYSA-N 1 0 315.396 3.342 40 0 DGABRO CCCCn1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257275560 203004302 /nfs/dbraw/zinc/00/43/02/203004302.db2.gz NPWVPACLSRVNPD-OAHLLOKOSA-N 1 0 301.438 3.094 40 0 DGABRO Clc1ccccc1C[C@H]1COCC[N@@H+](C2CCOCC2)C1 ZINC000257293764 203018400 /nfs/dbraw/zinc/01/84/00/203018400.db2.gz QRCMTONRVUAANO-CQSZACIVSA-N 1 0 309.837 3.010 40 0 DGABRO Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2c(C)nc3sccn23)C1 ZINC000257329079 203053348 /nfs/dbraw/zinc/05/33/48/203053348.db2.gz XIHZYIMTJFABDO-CYBMUJFWSA-N 1 0 315.446 3.115 40 0 DGABRO c1cc2cc(C[C@@H]3COCC[N@H+](Cc4ccccn4)C3)ccc2[nH]1 ZINC000257313786 203039598 /nfs/dbraw/zinc/03/95/98/203039598.db2.gz UUDOQKWUAQMJOG-KRWDZBQOSA-N 1 0 321.424 3.254 40 0 DGABRO c1cc(C[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)n[nH]1 ZINC000257323837 203047584 /nfs/dbraw/zinc/04/75/84/203047584.db2.gz WMANCZHUPGBMJU-OAHLLOKOSA-N 1 0 321.428 3.255 40 0 DGABRO c1ccn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2cccs2)c1 ZINC000096055344 193506912 /nfs/dbraw/zinc/50/69/12/193506912.db2.gz WMPMQDGVPGSFNJ-BHYGNILZSA-N 1 0 302.443 3.229 40 0 DGABRO CC(C)C[NH+]1CCC(c2nc3ccc(NC(C)C)cn3n2)CC1 ZINC000096260709 193605866 /nfs/dbraw/zinc/60/58/66/193605866.db2.gz XDUBSBYFEBULEK-UHFFFAOYSA-N 1 0 315.465 3.385 40 0 DGABRO Cc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000019237181 182111011 /nfs/dbraw/zinc/11/10/11/182111011.db2.gz KWLSPJILJZGTKJ-HNNXBMFYSA-N 1 0 307.401 3.041 40 0 DGABRO CC(C)(C)c1noc([C@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000019084633 182104220 /nfs/dbraw/zinc/10/42/20/182104220.db2.gz KMYHPSBKUYDYFJ-ZDUSSCGKSA-N 1 0 303.381 3.496 40 0 DGABRO O[C@H](C[NH+]1CCC(Oc2ccccc2F)CC1)c1cccs1 ZINC000019350152 182117618 /nfs/dbraw/zinc/11/76/18/182117618.db2.gz XJJRJFTXNRSWDR-OAHLLOKOSA-N 1 0 321.417 3.464 40 0 DGABRO O[C@@]1(c2cccnc2)CCC[N@H+](Cc2ccccc2F)CC1 ZINC000019349049 182117867 /nfs/dbraw/zinc/11/78/67/182117867.db2.gz YBXMJCNAVGIPOM-SFHVURJKSA-N 1 0 300.377 3.094 40 0 DGABRO C[C@H]1C[NH+](Cc2c3cccnc3[nH]c2-c2ccco2)C[C@H](C)O1 ZINC000019497545 182126111 /nfs/dbraw/zinc/12/61/11/182126111.db2.gz OGNCMPWFHKCOSE-STQMWFEESA-N 1 0 311.385 3.432 40 0 DGABRO CCn1ncc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1C ZINC000019523944 182127921 /nfs/dbraw/zinc/12/79/21/182127921.db2.gz MGGUYLHHPTYYJR-MRXNPFEDSA-N 1 0 323.444 3.467 40 0 DGABRO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)C1CC1 ZINC000019590175 182132090 /nfs/dbraw/zinc/13/20/90/182132090.db2.gz WYYUJDWRQOAQLC-GUDVDZBRSA-N 1 0 312.457 3.265 40 0 DGABRO CN(C)c1ncc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3[C@H]2c2ccccc2)cn1 ZINC000019585564 182131792 /nfs/dbraw/zinc/13/17/92/182131792.db2.gz NISXXCWSZBUJAB-WJFTUGDTSA-N 1 0 322.456 3.215 40 0 DGABRO Fc1cccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019789364 182149475 /nfs/dbraw/zinc/14/94/75/182149475.db2.gz AZSDHGDESITJQU-BPQIPLTHSA-N 1 0 300.421 3.156 40 0 DGABRO [NH3+]Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000020224329 182198749 /nfs/dbraw/zinc/19/87/49/182198749.db2.gz VSQQXORVWMVYDJ-UHFFFAOYSA-N 1 0 305.175 3.160 40 0 DGABRO O=C(NC1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832534 183010893 /nfs/dbraw/zinc/01/08/93/183010893.db2.gz PSJULGPJSWSTAZ-QGZVFWFLSA-N 1 0 300.446 3.348 40 0 DGABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccccc2F)C1 ZINC000044140370 183396266 /nfs/dbraw/zinc/39/62/66/183396266.db2.gz CRUYUDPGENQQIF-KBPBESRZSA-N 1 0 323.481 3.480 40 0 DGABRO C=Cn1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c(C)n1 ZINC000057810982 184055534 /nfs/dbraw/zinc/05/55/34/184055534.db2.gz WLFLFSITGIVRNO-LJQANCHMSA-N 1 0 311.429 3.473 40 0 DGABRO CCOc1cc(C[NH2+]CCOC)ccc1OCc1cccs1 ZINC000007523860 256521487 /nfs/dbraw/zinc/52/14/87/256521487.db2.gz XLMWMYAROTZHGI-UHFFFAOYSA-N 1 0 321.442 3.462 40 0 DGABRO CC(=O)N1CCCC[C@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219314 257124418 /nfs/dbraw/zinc/12/44/18/257124418.db2.gz DSVNUYAPXWVUSS-KRWDZBQOSA-N 1 0 301.434 3.454 40 0 DGABRO Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072219422 257124435 /nfs/dbraw/zinc/12/44/35/257124435.db2.gz AIRKICCXRFMXAI-SFHVURJKSA-N 1 0 317.477 3.410 40 0 DGABRO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072219645 257124569 /nfs/dbraw/zinc/12/45/69/257124569.db2.gz PVLUUXAKEMHSFX-KRWDZBQOSA-N 1 0 303.450 3.162 40 0 DGABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](C)C4)nn3c2)c1 ZINC000306122964 533370379 /nfs/dbraw/zinc/37/03/79/533370379.db2.gz AAWUFCFZHGHOHZ-MRXNPFEDSA-N 1 0 322.412 3.214 40 0 DGABRO Cc1ccccc1C(=O)N1CCC2(CC([NH+]3CCCC3)C2)CC1 ZINC000585101501 400125427 /nfs/dbraw/zinc/12/54/27/400125427.db2.gz DWRLTXSZEMUZRU-UHFFFAOYSA-N 1 0 312.457 3.476 40 0 DGABRO Cc1cc(C)cc(C(=O)N2CCC3(CC([NH+](C)C)C3)CC2)c1 ZINC000585103832 400125513 /nfs/dbraw/zinc/12/55/13/400125513.db2.gz RWRMSCGTWFWABW-UHFFFAOYSA-N 1 0 300.446 3.250 40 0 DGABRO COCC[N@@H+]1CCC[C@@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100825 400125538 /nfs/dbraw/zinc/12/55/38/400125538.db2.gz YCRTWBVHFSDOAQ-LJQANCHMSA-N 1 0 322.493 3.060 40 0 DGABRO Cc1ccc(CC(=O)N2CCC([C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000585113252 400126108 /nfs/dbraw/zinc/12/61/08/400126108.db2.gz VGSCOPDTELPVBN-IBGZPJMESA-N 1 0 314.473 3.260 40 0 DGABRO CCC(CC)C(=O)N1CCC[C@H](c2cncc3c[nH+]c(C)n32)C1 ZINC000585182547 400129840 /nfs/dbraw/zinc/12/98/40/400129840.db2.gz LGFJCCVKCSGPIQ-HNNXBMFYSA-N 1 0 314.433 3.180 40 0 DGABRO CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@H](Cc2ccccc2)C1 ZINC000585269322 400130863 /nfs/dbraw/zinc/13/08/63/400130863.db2.gz PDGURGUFUKQZDZ-RTWAWAEBSA-N 1 0 322.452 3.256 40 0 DGABRO CCOc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3[NH2+]CCC[C@@H]3O[C@H]21 ZINC000257334407 286575521 /nfs/dbraw/zinc/57/55/21/286575521.db2.gz YFSWMSZMWPDGFD-QBYUYEEZSA-N 1 0 317.429 3.455 40 0 DGABRO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000134208198 196371243 /nfs/dbraw/zinc/37/12/43/196371243.db2.gz LAHCLOUUUWQOSI-AWEZNQCLSA-N 1 0 306.425 3.198 40 0 DGABRO CC[C@@H]1[N@H+](Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2C ZINC000096052418 287312796 /nfs/dbraw/zinc/31/27/96/287312796.db2.gz UMXWTTNOGRNVSP-WMZOPIPTSA-N 1 0 304.409 3.191 40 0 DGABRO Cc1cccc(CO[C@H]2CSC3(C[NH+](C4CCC4)C3)C2)n1 ZINC000247880931 432252963 /nfs/dbraw/zinc/25/29/63/432252963.db2.gz QYFJQAFFBVOPPK-MRXNPFEDSA-N 1 0 304.459 3.019 40 0 DGABRO CC[NH+]1CCC2(C[C@H](NCc3nccn3C)c3ccccc32)CC1 ZINC000096241436 273650583 /nfs/dbraw/zinc/65/05/83/273650583.db2.gz BPXFYPNRENOEDW-SFHVURJKSA-N 1 0 324.472 3.008 40 0 DGABRO CC1=C[C@H](C)[C@H]([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)[C@@H](C)C1 ZINC000053944168 275925168 /nfs/dbraw/zinc/92/51/68/275925168.db2.gz MPVKDSOURSACLP-GVAFMPQTSA-N 1 0 309.417 3.323 40 0 DGABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000306126503 276318533 /nfs/dbraw/zinc/31/85/33/276318533.db2.gz DXYXWGQRMXXEKY-HNNXBMFYSA-N 1 0 300.446 3.054 40 0 DGABRO C(COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCOCC1 ZINC000028629436 276811931 /nfs/dbraw/zinc/81/19/31/276811931.db2.gz HTSDKZYIVYWIJL-UHFFFAOYSA-N 1 0 307.478 3.332 40 0 DGABRO CNC(=O)C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096052593 277001736 /nfs/dbraw/zinc/00/17/36/277001736.db2.gz PSSWSVLDTXXQMH-MRXNPFEDSA-N 1 0 312.457 3.054 40 0 DGABRO CNc1nccc([C@@H]2CCCC[N@@H+]2Cc2cccc(OC)c2)n1 ZINC000257341085 277046413 /nfs/dbraw/zinc/04/64/13/277046413.db2.gz ZIUJHZZJDALZEH-KRWDZBQOSA-N 1 0 312.417 3.254 40 0 DGABRO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC000051943388 278383325 /nfs/dbraw/zinc/38/33/25/278383325.db2.gz RHRIIQVZXVYVIE-CQSZACIVSA-N 1 0 318.417 3.239 40 0 DGABRO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1F ZINC000001093949 431214849 /nfs/dbraw/zinc/21/48/49/431214849.db2.gz UQVPRKDTEWEKHO-LRDDRELGSA-N 1 0 309.356 3.386 40 0 DGABRO COc1ccc2c(c1)C[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C ZINC000001592859 431232503 /nfs/dbraw/zinc/23/25/03/431232503.db2.gz GXFOBPWUVXXUIF-HNNXBMFYSA-N 1 0 309.365 3.176 40 0 DGABRO COc1ccc([C@H](Cc2ccc(Cl)cc2)[NH2+]CCO)cc1 ZINC000001666275 431234874 /nfs/dbraw/zinc/23/48/74/431234874.db2.gz ZRBBTNAWVCKGTC-KRWDZBQOSA-N 1 0 305.805 3.214 40 0 DGABRO CCCCCOC(=O)c1cccc(NC(=O)C[NH2+]CC(C)C)c1 ZINC000001671753 431236427 /nfs/dbraw/zinc/23/64/27/431236427.db2.gz IBWDDISEODUDFD-UHFFFAOYSA-N 1 0 320.433 3.218 40 0 DGABRO O=C(c1ccccc1)[C@@](O)(C[NH+]1CCCCC1)c1ccccc1 ZINC000001667646 431236764 /nfs/dbraw/zinc/23/67/64/431236764.db2.gz ZYMMGYFMZMBYCB-HXUWFJFHSA-N 1 0 309.409 3.243 40 0 DGABRO CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2ccccc12 ZINC000001668208 431237401 /nfs/dbraw/zinc/23/74/01/431237401.db2.gz DMMAXFGKSUUAIY-SFHVURJKSA-N 1 0 313.445 3.391 40 0 DGABRO COc1cc(N[C@H](C)CCC[NH+](C)C)c2ncccc2c1OC ZINC000001843144 431238003 /nfs/dbraw/zinc/23/80/03/431238003.db2.gz GZBXZZJSARMYPE-CYBMUJFWSA-N 1 0 317.433 3.394 40 0 DGABRO O[C@@H]1C2CC[NH+](CC2)[C@@H]1[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000005063910 431308112 /nfs/dbraw/zinc/30/81/12/431308112.db2.gz YDKJBGPGEVAPRN-VAMGGRTRSA-N 1 0 311.400 3.413 40 0 DGABRO C/C=C1\C[N@@H+]2CC[C@]34c5ccccc5N5C(=O)CC[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000005049467 431309678 /nfs/dbraw/zinc/30/96/78/431309678.db2.gz GLXCOWMFBYYQSW-FWJGCXHUSA-N 1 0 320.436 3.104 40 0 DGABRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2)CC1 ZINC000005823064 431312851 /nfs/dbraw/zinc/31/28/51/431312851.db2.gz SDEBPJUROZRIBX-UHFFFAOYSA-N 1 0 323.440 3.389 40 0 DGABRO COc1cc(C[NH2+]CC(C)C)cc(Br)c1OC ZINC000006883528 431322474 /nfs/dbraw/zinc/32/24/74/431322474.db2.gz SEXBUKCAXKKNFS-UHFFFAOYSA-N 1 0 302.212 3.212 40 0 DGABRO Cc1ccc(C2=CCN(CC(=O)N3CCc4ccccc43)CC2)o1 ZINC000072342297 431334125 /nfs/dbraw/zinc/33/41/25/431334125.db2.gz SUPXJCBUMVPJSA-UHFFFAOYSA-N 1 0 322.408 3.266 40 0 DGABRO CC[NH2+]Cc1cc(Br)c(OCC)c(OCC)c1 ZINC000008227127 431388276 /nfs/dbraw/zinc/38/82/76/431388276.db2.gz PBGQMPWCARJYKR-UHFFFAOYSA-N 1 0 302.212 3.356 40 0 DGABRO C[NH2+]CCCNCc1ccccc1OCc1ccccc1F ZINC000008377271 431397344 /nfs/dbraw/zinc/39/73/44/431397344.db2.gz IXNRUMZYBYXLJF-UHFFFAOYSA-N 1 0 302.393 3.104 40 0 DGABRO COCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000008469242 431399259 /nfs/dbraw/zinc/39/92/59/431399259.db2.gz BORNNWKUAVTRNI-UHFFFAOYSA-N 1 0 301.386 3.010 40 0 DGABRO COc1ccc([C@H]2Nc3ccccc3C3=[NH+]CCCN32)cc1OC ZINC000012144185 431494538 /nfs/dbraw/zinc/49/45/38/431494538.db2.gz BOOFBLOTAIORIX-SFHVURJKSA-N 1 0 323.396 3.280 40 0 DGABRO CNc1ncc(C[NH+]2CCC(CCc3ccccc3)CC2)cn1 ZINC000012240924 431496900 /nfs/dbraw/zinc/49/69/00/431496900.db2.gz SYQGRVIBJVEWMS-UHFFFAOYSA-N 1 0 310.445 3.363 40 0 DGABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1coc2cc(C)ccc12 ZINC000012362816 431504475 /nfs/dbraw/zinc/50/44/75/431504475.db2.gz UWIIJQYLHASQPQ-INIZCTEOSA-N 1 0 314.429 3.274 40 0 DGABRO CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1 ZINC000012481089 431509976 /nfs/dbraw/zinc/50/99/76/431509976.db2.gz UUXMIMRJZGIOPE-AYHJJNSGSA-N 1 0 300.446 3.407 40 0 DGABRO Cc1nn(C)cc1-c1cncn1CC1([NH+](C)C)CCC(C)CC1 ZINC000019719466 431620518 /nfs/dbraw/zinc/62/05/18/431620518.db2.gz TXXZLOONLSTXRK-UHFFFAOYSA-N 1 0 315.465 3.103 40 0 DGABRO COC(=O)c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000026898416 431680049 /nfs/dbraw/zinc/68/00/49/431680049.db2.gz KLSOLWNWIFFAGB-GOSISDBHSA-N 1 0 311.381 3.127 40 0 DGABRO CC(C)(C)OC(=O)N1CCC2(C[C@@H]([NH3+])c3ccc(F)cc32)CC1 ZINC000079027375 431717832 /nfs/dbraw/zinc/71/78/32/431717832.db2.gz YSWFRCGDDVZCHS-OAHLLOKOSA-N 1 0 320.408 3.498 40 0 DGABRO CSCC[C@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441186 431847059 /nfs/dbraw/zinc/84/70/59/431847059.db2.gz AADWMJJEQWQGQK-QMMMGPOBSA-N 1 0 300.225 3.078 40 0 DGABRO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3CC(C)(C)C)n2)cn1 ZINC000035426146 431829692 /nfs/dbraw/zinc/82/96/92/431829692.db2.gz QVAZDUQDJPUMOS-ZDUSSCGKSA-N 1 0 315.421 3.356 40 0 biogenic,in-vitro DGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)s1 ZINC000096048556 431934803 /nfs/dbraw/zinc/93/48/03/431934803.db2.gz VVCOFBDMQNUGCT-RDJZCZTQSA-N 1 0 317.458 3.249 40 0 DGABRO Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](c4nnc(C)o4)CC[C@H]32)s1 ZINC000096040912 431935598 /nfs/dbraw/zinc/93/55/98/431935598.db2.gz SDXCVQOZWDPFIZ-KFWWJZLASA-N 1 0 319.430 3.243 40 0 DGABRO Cc1ccc(C[NH2+]C[C@@H]2OCCc3cn(CC4CC4)nc32)s1 ZINC000096044351 431935977 /nfs/dbraw/zinc/93/59/77/431935977.db2.gz WIRGZCYEKOLZRO-INIZCTEOSA-N 1 0 317.458 3.067 40 0 DGABRO c1cncc(COC[C@@]23CCCO[C@@H]2CC[N@@H+](C2CCC2)C3)c1 ZINC000096040148 431936001 /nfs/dbraw/zinc/93/60/01/431936001.db2.gz ZBFGURHVZVHBQB-MOPGFXCFSA-N 1 0 316.445 3.022 40 0 DGABRO Fc1cccc(CN2C[C@@H]3C[NH+](Cc4ccsc4)C[C@H]3C2)c1 ZINC000096053857 431936554 /nfs/dbraw/zinc/93/65/54/431936554.db2.gz HOBCYVPQUSKGDG-IAGOWNOFSA-N 1 0 316.445 3.451 40 0 DGABRO c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@@H+](CC3CC3)C2)o1 ZINC000049169792 431936792 /nfs/dbraw/zinc/93/67/92/431936792.db2.gz XGGGOTNATWKIIE-AWEZNQCLSA-N 1 0 322.412 3.341 40 0 biogenic,in-vitro DGABRO CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096056801 431937108 /nfs/dbraw/zinc/93/71/08/431937108.db2.gz HGJXULPVWFKQRR-OALUTQOASA-N 1 0 319.445 3.103 40 0 DGABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)cc1F ZINC000049168795 431937176 /nfs/dbraw/zinc/93/71/76/431937176.db2.gz QXTXTQUZJZTNHP-LBPRGKRZSA-N 1 0 314.339 3.226 40 0 biogenic,in-vitro DGABRO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1ccoc1)C2 ZINC000096100318 431937685 /nfs/dbraw/zinc/93/76/85/431937685.db2.gz JRQPZYCEMMICLQ-FQEVSTJZSA-N 1 0 322.408 3.180 40 0 DGABRO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccccc1F)CC2 ZINC000096106416 431939217 /nfs/dbraw/zinc/93/92/17/431939217.db2.gz JNUSNTMFSDEBCM-QGZVFWFLSA-N 1 0 321.436 3.481 40 0 DGABRO c1cc2n(n1)C[C@@H](COCC1CC1)CN(Cc1ccsc1)C2 ZINC000096189088 431941376 /nfs/dbraw/zinc/94/13/76/431941376.db2.gz DGVJBZJIDDZUKQ-INIZCTEOSA-N 1 0 317.458 3.003 40 0 DGABRO COc1cccc(N[C@@H]2COC3(C2)CC[NH+](CC(C)C)CC3)c1 ZINC000096221493 431942988 /nfs/dbraw/zinc/94/29/88/431942988.db2.gz LWCMYJCCADCBCH-KRWDZBQOSA-N 1 0 318.461 3.387 40 0 DGABRO COc1cccc(N[C@H]2COC3(C2)CC[NH+](CC(C)C)CC3)c1 ZINC000096221495 431943028 /nfs/dbraw/zinc/94/30/28/431943028.db2.gz LWCMYJCCADCBCH-QGZVFWFLSA-N 1 0 318.461 3.387 40 0 DGABRO CCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000096524821 431955089 /nfs/dbraw/zinc/95/50/89/431955089.db2.gz ONHRJNJEAOITIJ-SUMWQHHRSA-N 1 0 303.427 3.177 40 0 DGABRO CC[C@H]([C@@H]([NH3+])c1ccc(Cl)cc1Cl)S(=O)(=O)CC ZINC000096524976 431955171 /nfs/dbraw/zinc/95/51/71/431955171.db2.gz XEEZPNJADUHREE-NEPJUHHUSA-N 1 0 310.246 3.207 40 0 DGABRO O=C(CC1=NCC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1O ZINC000100638378 431982554 /nfs/dbraw/zinc/98/25/54/431982554.db2.gz KEQSOUMJJLVRRL-QGZVFWFLSA-N 1 0 308.381 3.141 40 0 DGABRO Cc1ccc(CN2CC[C@]3(c4ccccc4)CC[N@@H+](C)[C@H]3C2)o1 ZINC000248122915 432270255 /nfs/dbraw/zinc/27/02/55/432270255.db2.gz KPSAMBPHSBLLJS-PMACEKPBSA-N 1 0 310.441 3.436 40 0 DGABRO c1cc2n(c1)[C@H](COCc1ccncc1)C[N@@H+](C1CCCC1)C2 ZINC000253597001 432401185 /nfs/dbraw/zinc/40/11/85/432401185.db2.gz YWRHZPNJQDUTDP-IBGZPJMESA-N 1 0 311.429 3.399 40 0 DGABRO Cc1ccc(CC(=O)NCCC[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000260812983 432428719 /nfs/dbraw/zinc/42/87/19/432428719.db2.gz NUIFVXNKGHALGL-INIZCTEOSA-N 1 0 302.462 3.084 40 0 DGABRO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257213068 432417716 /nfs/dbraw/zinc/41/77/16/432417716.db2.gz CGBLKZMUCBDHND-CYBMUJFWSA-N 1 0 313.430 3.102 40 0 DGABRO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)cc1 ZINC000257215168 432418111 /nfs/dbraw/zinc/41/81/11/432418111.db2.gz CPAROEIONSDMKI-GOSISDBHSA-N 1 0 310.401 3.162 40 0 DGABRO CN(c1ccncn1)C1CC2(C1)CC[N@H+](Cc1cccs1)C2 ZINC000257213799 432418952 /nfs/dbraw/zinc/41/89/52/432418952.db2.gz CJCURKYIFRQYRM-UHFFFAOYSA-N 1 0 314.458 3.029 40 0 DGABRO Cc1ncc(-c2cc([C@H]3CCC[N@@H+](C(C)C)C3)nc(C)n2)n1C ZINC000257205928 432419128 /nfs/dbraw/zinc/41/91/28/432419128.db2.gz BBCIDNGCUJANCV-HNNXBMFYSA-N 1 0 313.449 3.082 40 0 DGABRO CC(C)n1nccc1C[N@@H+]1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257221683 432421313 /nfs/dbraw/zinc/42/13/13/432421313.db2.gz DQCKBVKRGZPLCB-HNNXBMFYSA-N 1 0 324.432 3.115 40 0 DGABRO CCn1nccc1-c1cc([C@@H]2CCC[N@@H+](C(C)C)C2)nc(C)n1 ZINC000257222006 432421391 /nfs/dbraw/zinc/42/13/91/432421391.db2.gz DRMYFFSLCKYQRF-OAHLLOKOSA-N 1 0 313.449 3.256 40 0 DGABRO CO[C@@H]1CCCOC12CC[NH+](CCc1ccc(F)cc1)CC2 ZINC000257250131 432421802 /nfs/dbraw/zinc/42/18/02/432421802.db2.gz JLDHRVMPMYVNNB-QGZVFWFLSA-N 1 0 307.409 3.028 40 0 DGABRO O=C(C1CCC1)N1CCC[C@@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257256462 432423357 /nfs/dbraw/zinc/42/33/57/432423357.db2.gz KLPMGTCJPVYEQU-GOSISDBHSA-N 1 0 313.445 3.141 40 0 DGABRO c1cc2cc(C[C@H]3CCC[N@H+](Cc4cccnc4)C3)cnc2[nH]1 ZINC000257249923 432423372 /nfs/dbraw/zinc/42/33/72/432423372.db2.gz JKGLACITLSPLQA-OAHLLOKOSA-N 1 0 306.413 3.413 40 0 DGABRO CNc1cc(C)[nH+]c([C@H]2CCN(Cc3nccn3C(C)C)C2)c1 ZINC000257257814 432424778 /nfs/dbraw/zinc/42/47/78/432424778.db2.gz KREOPWRQJAXDTG-HNNXBMFYSA-N 1 0 313.449 3.199 40 0 DGABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000176329826 432512236 /nfs/dbraw/zinc/51/22/36/432512236.db2.gz PXSXWMIYKAZZMF-SFHVURJKSA-N 1 0 318.461 3.001 40 0 DGABRO C[NH+]1CCC(NC(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000225799941 432699035 /nfs/dbraw/zinc/69/90/35/432699035.db2.gz RCCQLIUHRCUSQF-UHFFFAOYSA-N 1 0 317.380 3.086 40 0 DGABRO Cc1ccc(C(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(Cl)c1 ZINC000225003061 432684146 /nfs/dbraw/zinc/68/41/46/432684146.db2.gz RYOGOAXTUGAWAZ-ZIAGYGMSSA-N 1 0 308.853 3.356 40 0 DGABRO Cc1nc(Cc2noc(C3C[NH+](C4CCCCC4)C3)n2)cs1 ZINC000333932082 433128353 /nfs/dbraw/zinc/12/83/53/433128353.db2.gz GMUVUCKCBUPPFO-UHFFFAOYSA-N 1 0 318.446 3.157 40 0 DGABRO Cc1cccc(CNc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329037960 434347493 /nfs/dbraw/zinc/34/74/93/434347493.db2.gz RQBBCFLGAJQTIU-UHFFFAOYSA-N 1 0 322.456 3.473 40 0 DGABRO C[NH+](C)[C@@H]1CCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC000517438603 435595218 /nfs/dbraw/zinc/59/52/18/435595218.db2.gz GIWAXFZXODOPPA-LJQANCHMSA-N 1 0 310.441 3.402 40 0 DGABRO [NH3+]C[C@H]1CC[C@H]([C@@H](NC(=O)c2ccccc2)c2ccccn2)CC1 ZINC000257315597 331960692 /nfs/dbraw/zinc/96/06/92/331960692.db2.gz VCCBWXJLVRBABR-GPMSIDNRSA-N 1 0 323.440 3.318 40 0 DGABRO O=C1CC[C@]2(CCC[N@H+](CC3CC3)CC2)N1Cc1ccccc1 ZINC000585100454 547024900 /nfs/dbraw/zinc/02/49/00/547024900.db2.gz KXCMZPSPKWEYHU-FQEVSTJZSA-N 1 0 312.457 3.444 40 0 DGABRO O[C@@]1(/C=C/c2ccccc2)CCOC[C@@H]1[NH2+]Cc1ccccc1 ZINC001547139781 1188445658 /nfs/dbraw/zinc/44/56/58/1188445658.db2.gz NQXARPDMVRVEMA-ARZGSZHJSA-N 1 0 309.409 3.010 40 0 DGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000079420427 185170638 /nfs/dbraw/zinc/17/06/38/185170638.db2.gz WBYIYHKVNXGGFI-AWEZNQCLSA-N 1 0 315.244 3.468 40 0 DGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000079421063 185170830 /nfs/dbraw/zinc/17/08/30/185170830.db2.gz XEXBMRQNZSKIRQ-AWEZNQCLSA-N 1 0 315.244 3.468 40 0 DGABRO c1cc(C[N@H+]2C[C@@H]3c4ncc(-c5cccnc5)n4C[C@@H]3C2)cs1 ZINC000306127465 231086258 /nfs/dbraw/zinc/08/62/58/231086258.db2.gz FZCZJOXRMGOYII-HOTGVXAUSA-N 1 0 322.437 3.236 40 0 DGABRO C[NH+]1CCN(c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)CC1 ZINC000080443524 192157251 /nfs/dbraw/zinc/15/72/51/192157251.db2.gz FPLHDBMJDDHYER-UHFFFAOYSA-N 1 0 315.417 3.176 40 0 DGABRO Cc1cc(Nc2ncccn2)nc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000072359942 191129983 /nfs/dbraw/zinc/12/99/83/191129983.db2.gz YNDYCJGMTWKKDW-OAHLLOKOSA-N 1 0 324.432 3.398 40 0 DGABRO CC(C)[N@@H+]1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000072361668 191132276 /nfs/dbraw/zinc/13/22/76/191132276.db2.gz AFAIOGMFYYFLDB-ZDUSSCGKSA-N 1 0 317.462 3.340 40 0 DGABRO Cn1ccnc1C[N@@H+]1CC[C@H](Cc2cccc3ncccc23)C1 ZINC000072367626 191137384 /nfs/dbraw/zinc/13/73/84/191137384.db2.gz ZSIOIIMIXBELFE-OAHLLOKOSA-N 1 0 306.413 3.033 40 0 DGABRO Cn1ccnc1C[N@@H+]1CC[C@@H](Cc2cccc3cccnc32)C1 ZINC000072368082 191138041 /nfs/dbraw/zinc/13/80/41/191138041.db2.gz OWTKMAPTMSVROF-HNNXBMFYSA-N 1 0 306.413 3.033 40 0 DGABRO c1cncc(Oc2cncc([C@@H]3CCC[N@@H+](CC4CC4)C3)n2)c1 ZINC000072383889 191144426 /nfs/dbraw/zinc/14/44/26/191144426.db2.gz ADHAQEBGAHKRBY-OAHLLOKOSA-N 1 0 310.401 3.253 40 0 DGABRO Cc1cccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COC(C)C)C2)n1 ZINC000107712811 432037385 /nfs/dbraw/zinc/03/73/85/432037385.db2.gz ZBZVUIRSKQEMEE-MOPGFXCFSA-N 1 0 318.461 3.186 40 0 DGABRO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@](C)(C2)C3(C)C)cc1 ZINC000004194953 181084132 /nfs/dbraw/zinc/08/41/32/181084132.db2.gz UPSAPLHWTQECAM-IFXJQAMLSA-N 1 0 316.445 3.392 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)o1 ZINC000107751981 432039042 /nfs/dbraw/zinc/03/90/42/432039042.db2.gz CKHUCMLMMYHWJX-MOPGFXCFSA-N 1 0 319.445 3.386 40 0 DGABRO C[NH+]1CCC(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000074921027 191387881 /nfs/dbraw/zinc/38/78/81/191387881.db2.gz YBNQMZMKZMJZRX-UHFFFAOYSA-N 1 0 300.324 3.376 40 0 DGABRO C[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)C1CCCCC1 ZINC000006001507 181305092 /nfs/dbraw/zinc/30/50/92/181305092.db2.gz CECXARUDHHNYTA-QGZVFWFLSA-N 1 0 311.853 3.482 40 0 DGABRO COc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1Cl ZINC000223128225 201635112 /nfs/dbraw/zinc/63/51/12/201635112.db2.gz DHWPTTPXUVFSBP-UHFFFAOYSA-N 1 0 324.852 3.345 40 0 DGABRO Cn1ccnc1C[N@@H+]1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257278557 203005644 /nfs/dbraw/zinc/00/56/44/203005644.db2.gz OCRYBMARKRHVFE-OAHLLOKOSA-N 1 0 306.413 3.033 40 0 DGABRO c1ccc(C[C@@H]2CC3(CO2)CC[NH+](C2CCOCC2)CC3)cc1 ZINC000257320961 203046003 /nfs/dbraw/zinc/04/60/03/203046003.db2.gz VZMMNJDLBJZOKR-LJQANCHMSA-N 1 0 315.457 3.279 40 0 DGABRO CCCCn1cc(C[N@@H+]2CC[C@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257337653 203061134 /nfs/dbraw/zinc/06/11/34/203061134.db2.gz YTTWLHQGOBQBFL-HNNXBMFYSA-N 1 0 301.438 3.013 40 0 DGABRO Cc1cccc(CN2C(=O)CCC23CC[NH+](CC2CC2)CC3)c1 ZINC000096049445 193500703 /nfs/dbraw/zinc/50/07/03/193500703.db2.gz FVZQFZZRIROHBZ-UHFFFAOYSA-N 1 0 312.457 3.362 40 0 DGABRO COCC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000016349327 182042190 /nfs/dbraw/zinc/04/21/90/182042190.db2.gz CSTXBGJWSFTYPD-UHFFFAOYSA-N 1 0 315.413 3.319 40 0 DGABRO Cc1csc([C@@H](Cc2cccs2)[NH2+]C[C@H]2CCOC2)n1 ZINC000019240064 182111454 /nfs/dbraw/zinc/11/14/54/182111454.db2.gz AYVYFHARSMCODH-TZMCWYRMSA-N 1 0 308.472 3.423 40 0 DGABRO O[C@H](C[NH+]1CCC(Oc2cccc(F)c2)CC1)c1cccs1 ZINC000019294226 182113342 /nfs/dbraw/zinc/11/33/42/182113342.db2.gz XQDRUIJWPFCBBG-MRXNPFEDSA-N 1 0 321.417 3.464 40 0 DGABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](C[C@H]4CC=CCC4)C[C@H]32)nc1 ZINC000019215962 182108445 /nfs/dbraw/zinc/10/84/45/182108445.db2.gz ODRJXSCURGGIED-GNBUJSLZSA-N 1 0 312.457 3.276 40 0 DGABRO CCCn1c2ccccc2nc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000019526007 182128318 /nfs/dbraw/zinc/12/83/18/182128318.db2.gz XIXUFCARCVYXMU-JKSUJKDBSA-N 1 0 312.461 3.115 40 0 DGABRO COc1cc(Cl)cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1OC ZINC000019575724 182130786 /nfs/dbraw/zinc/13/07/86/182130786.db2.gz SXWZNVJUBWKOFT-WFASDCNBSA-N 1 0 324.852 3.026 40 0 DGABRO CCn1cncc1C[N@@H+]1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019578639 182131450 /nfs/dbraw/zinc/13/14/50/182131450.db2.gz FRCNQJFRPFEIFG-HNNXBMFYSA-N 1 0 309.417 3.159 40 0 DGABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219631 257124018 /nfs/dbraw/zinc/12/40/18/257124018.db2.gz GWOGISRNKAHWHJ-KRWDZBQOSA-N 1 0 303.450 3.164 40 0 DGABRO Cc1cc(N)ncc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072218495 257124551 /nfs/dbraw/zinc/12/45/51/257124551.db2.gz KVCXEWIDGZZAKE-INIZCTEOSA-N 1 0 311.385 3.446 40 0 DGABRO c1ccc(CO[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@H]3CCC[C@@H]32)cc1 ZINC000252513888 257106164 /nfs/dbraw/zinc/10/61/64/257106164.db2.gz AOIYHYXUOPSXOB-LWYYNNOASA-N 1 0 314.473 3.341 40 0 DGABRO CC[NH2+][C@H]([C@@H](C)OC(=O)c1ccc(N)cc1)C1CCCCC1 ZINC000001711721 285623159 /nfs/dbraw/zinc/62/31/59/285623159.db2.gz AAHFSQZVCCRFLB-CXAGYDPISA-N 1 0 304.434 3.373 40 0 DGABRO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1F ZINC000004565102 400085020 /nfs/dbraw/zinc/08/50/20/400085020.db2.gz UQVPRKDTEWEKHO-MLGOLLRUSA-N 1 0 309.356 3.386 40 0 DGABRO O=C(c1cccc2ncccc21)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000325452228 400179519 /nfs/dbraw/zinc/17/95/19/400179519.db2.gz XZAYNAJFCNSRDQ-IBGZPJMESA-N 1 0 317.392 3.022 40 0 DGABRO O=C(c1cccc2ncccc21)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000325452230 400180000 /nfs/dbraw/zinc/18/00/00/400180000.db2.gz XZAYNAJFCNSRDQ-LJQANCHMSA-N 1 0 317.392 3.022 40 0 DGABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCC2CC2)co1 ZINC000585103383 400125367 /nfs/dbraw/zinc/12/53/67/400125367.db2.gz AWFVMAQBXQPAQJ-GOSISDBHSA-N 1 0 319.445 3.467 40 0 DGABRO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](C3CCC3)CC2)c(C)c1 ZINC000585281000 400129948 /nfs/dbraw/zinc/12/99/48/400129948.db2.gz CYXAMIJGQBWKAO-LJQANCHMSA-N 1 0 303.446 3.452 40 0 DGABRO CO[C@@H]1CC[N@H+](Cc2c(C)n[nH]c2C)C[C@H]1Cc1ccccc1 ZINC000585278368 400130011 /nfs/dbraw/zinc/13/00/11/400130011.db2.gz ROVSBHZYWAPIRV-IEBWSBKVSA-N 1 0 313.445 3.106 40 0 DGABRO CCc1ccc(C(=O)Nc2nc([C@H]3CCC[NH2+]3)cs2)cc1 ZINC000585266738 400130258 /nfs/dbraw/zinc/13/02/58/400130258.db2.gz PFUYUHZCUSDHPZ-CYBMUJFWSA-N 1 0 301.415 3.382 40 0 DGABRO O[C@@]1(COc2ccccc2F)CCC[N@@H+](C2CCCC2)CC1 ZINC000585281623 400130289 /nfs/dbraw/zinc/13/02/89/400130289.db2.gz NLLIPOXKYYBQBL-SFHVURJKSA-N 1 0 307.409 3.364 40 0 DGABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCCOC(C)C)[C@H]1O ZINC000585290622 400131599 /nfs/dbraw/zinc/13/15/99/400131599.db2.gz YQIPHERZNQQMML-QXAKKESOSA-N 1 0 321.461 3.061 40 0 DGABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]C[C@@H](O)c3ccccc3)cc2c1 ZINC000585295163 400131928 /nfs/dbraw/zinc/13/19/28/400131928.db2.gz NVMLIGUWRFNFAS-GOSISDBHSA-N 1 0 322.408 3.380 40 0 DGABRO CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)c(C)c1 ZINC000019712477 400186120 /nfs/dbraw/zinc/18/61/20/400186120.db2.gz YLJAAVBUAZIDHI-RTBURBONSA-N 1 0 300.446 3.279 40 0 DGABRO C[C@@H]([NH2+][C@H]1C(=O)N(OCc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000137535386 400595051 /nfs/dbraw/zinc/59/50/51/400595051.db2.gz IFQSQWPYIZCXFZ-GPMSIDNRSA-N 1 0 324.424 3.316 40 0 DGABRO O=C(Nc1nc2ccccc2s1)c1cccc2c1C[NH2+]CC2 ZINC000146574204 400649635 /nfs/dbraw/zinc/64/96/35/400649635.db2.gz QUNNSFMOQKVCJH-UHFFFAOYSA-N 1 0 309.394 3.194 40 0 DGABRO C[NH+](C)CCCN1C(=S)c2cccc3cccc(c32)C1=S ZINC000026897391 273794610 /nfs/dbraw/zinc/79/46/10/273794610.db2.gz URHREJMUPDBWID-UHFFFAOYSA-N 1 0 314.479 3.458 40 0 DGABRO COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC000096052477 274108769 /nfs/dbraw/zinc/10/87/69/274108769.db2.gz OFULOBQQLZERHU-UHFFFAOYSA-N 1 0 322.408 3.181 40 0 DGABRO O=C(c1ccco1)N1CCCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096049325 275014318 /nfs/dbraw/zinc/01/43/18/275014318.db2.gz LALQCOURXGNBGY-UHFFFAOYSA-N 1 0 314.385 3.143 40 0 DGABRO c1csc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccncc5)cnc4[C@@H]3C2)c1 ZINC000306134013 275075068 /nfs/dbraw/zinc/07/50/68/275075068.db2.gz NBTXCAPYJYBIDC-GDBMZVCRSA-N 1 0 322.437 3.236 40 0 DGABRO CCCc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000012170213 278985221 /nfs/dbraw/zinc/98/52/21/278985221.db2.gz WZKBTNVVFFZMCN-JFIYKMOQSA-N 1 0 305.462 3.357 40 0 DGABRO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cccc(F)c1F)C2 ZINC000108534441 431145413 /nfs/dbraw/zinc/14/54/13/431145413.db2.gz YYRADSJINPSUMW-KBXCAEBGSA-N 1 0 322.399 3.045 40 0 DGABRO CN1CC[C@]2(CCC[N@H+](Cc3ccccc3Cl)CC2)C1=O ZINC000108533207 431146578 /nfs/dbraw/zinc/14/65/78/431146578.db2.gz GAHGJNMQYSKQME-KRWDZBQOSA-N 1 0 306.837 3.174 40 0 DGABRO CC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(F)cc1 ZINC000001469912 431230331 /nfs/dbraw/zinc/23/03/31/431230331.db2.gz ZZOZLKXQFLFSQC-QGZVFWFLSA-N 1 0 303.377 3.088 40 0 DGABRO C[N@H+](C[C@@H](O)CN1CCCc2ccccc21)C1CCCCC1 ZINC000001688976 431235547 /nfs/dbraw/zinc/23/55/47/431235547.db2.gz DRFCVARXMUVTPU-GOSISDBHSA-N 1 0 302.462 3.065 40 0 DGABRO CC[NH+](CC)C[C@H](O)CCNc1ccnc2cc(Cl)ccc21 ZINC000001687502 431235729 /nfs/dbraw/zinc/23/57/29/431235729.db2.gz ZUMBGWGMKFFGGB-CQSZACIVSA-N 1 0 321.852 3.393 40 0 DGABRO CCCCCOC(=O)c1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000001671752 431236052 /nfs/dbraw/zinc/23/60/52/431236052.db2.gz OEDPOLZJSJHMKR-UHFFFAOYSA-N 1 0 320.433 3.314 40 0 DGABRO COc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OC ZINC000006882493 431321535 /nfs/dbraw/zinc/32/15/35/431321535.db2.gz NIZCIRORMROAAT-UHFFFAOYSA-N 1 0 302.212 3.354 40 0 DGABRO Cc1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000007027242 431329814 /nfs/dbraw/zinc/32/98/14/431329814.db2.gz OVTYLOAPKYRGEH-UHFFFAOYSA-N 1 0 305.491 3.403 40 0 DGABRO CC1CC[NH+](CCCNC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000007077869 431333487 /nfs/dbraw/zinc/33/34/87/431333487.db2.gz SNAZKTDWMJHAHK-VMPITWQZSA-N 1 0 304.409 3.077 40 0 DGABRO c1cnc([N-]c2nccnc2[C@H]2CCCN2C2CCCCC2)nc1 ZINC000072363430 431335890 /nfs/dbraw/zinc/33/58/90/431335890.db2.gz UMDCILGMALYYNB-OAHLLOKOSA-N 1 0 324.432 3.480 40 0 DGABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000008011565 431374915 /nfs/dbraw/zinc/37/49/15/431374915.db2.gz FMZCWDYUEYLUQO-UHFFFAOYSA-N 1 0 312.388 3.352 40 0 DGABRO CC[C@@H](CO)[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000008326403 431394222 /nfs/dbraw/zinc/39/42/22/431394222.db2.gz FLBPBBLGPXHSPS-INIZCTEOSA-N 1 0 303.377 3.265 40 0 DGABRO O=C(CCSc1ccccc1)NCCC[NH+]1CCCCC1 ZINC000010277030 431457142 /nfs/dbraw/zinc/45/71/42/431457142.db2.gz HJFNYZSNYDPEKR-UHFFFAOYSA-N 1 0 306.475 3.161 40 0 DGABRO Cc1cccc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)n1 ZINC000012089309 431491458 /nfs/dbraw/zinc/49/14/58/431491458.db2.gz TYZCCWXMNMOGKD-MRXNPFEDSA-N 1 0 323.396 3.135 40 0 DGABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000012239827 431496384 /nfs/dbraw/zinc/49/63/84/431496384.db2.gz QSPPFDFBIDWRDF-QGZVFWFLSA-N 1 0 318.436 3.238 40 0 DGABRO CC(C)CC(=O)N1C[C@H]2CCC[N@H+](Cc3ccsc3)[C@H]2C1 ZINC000012188228 431497703 /nfs/dbraw/zinc/49/77/03/431497703.db2.gz XJNKXBPWEPDBRU-CVEARBPZSA-N 1 0 306.475 3.217 40 0 DGABRO Cc1cccc(C2(O)CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000012292081 431499128 /nfs/dbraw/zinc/49/91/28/431499128.db2.gz RHZPUERTRAVWLV-LJQANCHMSA-N 1 0 311.425 3.012 40 0 DGABRO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2c(C)nn(C)c2C)on1 ZINC000019120204 431618579 /nfs/dbraw/zinc/61/85/79/431618579.db2.gz BWRJZJZLZMNXBO-INIZCTEOSA-N 1 0 302.422 3.451 40 0 DGABRO Cc1nn(C)cc1-c1cncn1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000019719467 431619859 /nfs/dbraw/zinc/61/98/59/431619859.db2.gz YRGZYKIELMYCMO-IBGZPJMESA-N 1 0 323.444 3.203 40 0 DGABRO Cc1cc(C)c(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000037530311 431848065 /nfs/dbraw/zinc/84/80/65/431848065.db2.gz KNQHFBWODOQHRM-MPGHIAIKSA-N 1 0 305.462 3.329 40 0 DGABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCC(C)C)CC1 ZINC000039766201 431856262 /nfs/dbraw/zinc/85/62/62/431856262.db2.gz YBSSGEDVXJXZBS-UHFFFAOYSA-N 1 0 302.462 3.369 40 0 DGABRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC000089223581 431861118 /nfs/dbraw/zinc/86/11/18/431861118.db2.gz WDQTURHNFSRHHP-CYBMUJFWSA-N 1 0 308.397 3.172 40 0 DGABRO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(Cl)cc2F)C1 ZINC000046960599 431904134 /nfs/dbraw/zinc/90/41/34/431904134.db2.gz OWWRFKNVZBJSQR-LBPRGKRZSA-N 1 0 312.816 3.331 40 0 DGABRO Cc1ccsc1C[N@H+]1CC[C@H]2O[C@H](c3nc(C)no3)CC[C@H]21 ZINC000097953571 431975621 /nfs/dbraw/zinc/97/56/21/431975621.db2.gz RYWNQALFUFKYBL-MCIONIFRSA-N 1 0 319.430 3.243 40 0 DGABRO Cc1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4cccs4)C[C@H]3O2)n1 ZINC000096046351 431934959 /nfs/dbraw/zinc/93/49/59/431934959.db2.gz ULHLFCFABBENJC-RRQGHBQHSA-N 1 0 315.442 3.199 40 0 DGABRO Fc1cccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)c1 ZINC000096047575 431935374 /nfs/dbraw/zinc/93/53/74/431935374.db2.gz RUBPDDZDTSPLSD-WMZOPIPTSA-N 1 0 316.376 3.264 40 0 DGABRO c1cc(CN2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)co1 ZINC000096049311 431935637 /nfs/dbraw/zinc/93/56/37/431935637.db2.gz CMHDTXIVUQVGST-UHFFFAOYSA-N 1 0 311.429 3.305 40 0 DGABRO Fc1cccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccoc4)C3)C2)c1 ZINC000096047583 431935739 /nfs/dbraw/zinc/93/57/39/431935739.db2.gz KSDHVUXZTZPOEB-ROUUACIJSA-N 1 0 316.376 3.264 40 0 DGABRO Fc1cccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4ccoc4)C3)C2)c1 ZINC000096047582 431936013 /nfs/dbraw/zinc/93/60/13/431936013.db2.gz KSDHVUXZTZPOEB-MSOLQXFVSA-N 1 0 316.376 3.264 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)s1 ZINC000096055730 431936644 /nfs/dbraw/zinc/93/66/44/431936644.db2.gz XNICTNRBYVBVJY-LSDHHAIUSA-N 1 0 318.467 3.498 40 0 DGABRO CC(C)Oc1ncnc2c1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096058783 431936816 /nfs/dbraw/zinc/93/68/16/431936816.db2.gz ICXFMKUHGCRXRO-UHFFFAOYSA-N 1 0 315.392 3.004 40 0 DGABRO CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096056796 431937308 /nfs/dbraw/zinc/93/73/08/431937308.db2.gz DTQQCEULVMFKQV-IAGOWNOFSA-N 1 0 309.475 3.464 40 0 DGABRO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCOCC4)C3)o2)cc1 ZINC000049169952 431937441 /nfs/dbraw/zinc/93/74/41/431937441.db2.gz HWEGZDDPTTXSKS-HNNXBMFYSA-N 1 0 313.401 3.013 40 0 biogenic,in-vitro DGABRO c1csc(C[N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)c1 ZINC000049169703 431937470 /nfs/dbraw/zinc/93/74/70/431937470.db2.gz OWNZSBFBGAKWTR-ZDUSSCGKSA-N 1 0 312.398 3.183 40 0 biogenic,in-vitro DGABRO CN1C(=O)C2(CC[NH+](Cc3ccoc3)CC2)[C@H]1c1ccccc1 ZINC000096100236 431937578 /nfs/dbraw/zinc/93/75/78/431937578.db2.gz WHJOZVWLPAGLGR-QGZVFWFLSA-N 1 0 310.397 3.075 40 0 DGABRO CN1C(=O)C2(CC[NH+](Cc3ccoc3)CC2)[C@@H]1c1ccccc1 ZINC000096100237 431937590 /nfs/dbraw/zinc/93/75/90/431937590.db2.gz WHJOZVWLPAGLGR-KRWDZBQOSA-N 1 0 310.397 3.075 40 0 DGABRO CCC[NH+]1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 ZINC000096155785 431940278 /nfs/dbraw/zinc/94/02/78/431940278.db2.gz DRYKQGKCIMRUAU-UHFFFAOYSA-N 1 0 321.428 3.381 40 0 DGABRO Cc1occc1C(=O)N1CCC2(CCC[N@@H+]2CC2CCC2)CC1 ZINC000096159393 431940987 /nfs/dbraw/zinc/94/09/87/431940987.db2.gz DSGQHYJGIIOTLA-UHFFFAOYSA-N 1 0 316.445 3.459 40 0 DGABRO c1cc(-c2ncnc3c2CC[N@H+](CC2CCCC2)CC3)ccn1 ZINC000096187637 431941605 /nfs/dbraw/zinc/94/16/05/431941605.db2.gz NKZIMKDTTXXGAW-UHFFFAOYSA-N 1 0 308.429 3.129 40 0 DGABRO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)o1 ZINC000096199587 431942632 /nfs/dbraw/zinc/94/26/32/431942632.db2.gz CGXVLZVCDZOZJQ-SFHVURJKSA-N 1 0 324.424 3.226 40 0 DGABRO CC[C@H](C)[N@@H+]1CCc2nc(NC(C)C)nc(NC3CC3)c2C1 ZINC000096254188 431943546 /nfs/dbraw/zinc/94/35/46/431943546.db2.gz CXDBEVBUMKMSCT-LBPRGKRZSA-N 1 0 303.454 3.028 40 0 DGABRO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](CC(C)C)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261686 431944109 /nfs/dbraw/zinc/94/41/09/431944109.db2.gz IUFYKJDSYXNBDE-JTDSTZFVSA-N 1 0 319.493 3.030 40 0 DGABRO O=C(NCc1ccccc1C[NH+]1CCCC1)NC1CCCCC1 ZINC000052817015 431958849 /nfs/dbraw/zinc/95/88/49/431958849.db2.gz YKVRPXCFKZSQJK-UHFFFAOYSA-N 1 0 315.461 3.414 40 0 DGABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(Cc2ccc(F)cc2)CC1 ZINC000098213805 431980706 /nfs/dbraw/zinc/98/07/06/431980706.db2.gz QMZCKURPFXLGRL-UHFFFAOYSA-N 1 0 322.424 3.344 40 0 DGABRO [NH3+]C[C@H]1CC[C@H](C(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000100768870 431982551 /nfs/dbraw/zinc/98/25/51/431982551.db2.gz VFQIHCZEKIVMNH-IPELMVKDSA-N 1 0 323.440 3.052 40 0 DGABRO COc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000260773063 432428208 /nfs/dbraw/zinc/42/82/08/432428208.db2.gz ZCLZVGMPFVEHRF-ZDUSSCGKSA-N 1 0 324.852 3.200 40 0 DGABRO Cc1ccnc([C@@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257210867 432418664 /nfs/dbraw/zinc/41/86/64/432418664.db2.gz BWLTXSFOVVWJON-QGZVFWFLSA-N 1 0 307.397 3.050 40 0 DGABRO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C)c[nH]3)C2)ccc1F ZINC000257213731 432419293 /nfs/dbraw/zinc/41/92/93/432419293.db2.gz CIWOYYKIEIKQNS-AWEZNQCLSA-N 1 0 303.381 3.245 40 0 DGABRO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cccs2)cc(N(C)C)n1 ZINC000257232977 432419675 /nfs/dbraw/zinc/41/96/75/432419675.db2.gz GNESSASXWIGDDW-HNNXBMFYSA-N 1 0 302.447 3.250 40 0 DGABRO c1ccc(CO[C@H]2C[N@H+](Cc3cccnc3)C[C@@]23CCCO3)cc1 ZINC000257242056 432422578 /nfs/dbraw/zinc/42/25/78/432422578.db2.gz IAWVWFHEOBOTLZ-PMACEKPBSA-N 1 0 324.424 3.032 40 0 DGABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCc2cccs2)c1 ZINC000257251546 432422662 /nfs/dbraw/zinc/42/26/62/432422662.db2.gz JREYMVUZUHMUJG-UHFFFAOYSA-N 1 0 323.421 3.199 40 0 DGABRO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2CCc2ccccc2)nc1 ZINC000257245416 432423084 /nfs/dbraw/zinc/42/30/84/432423084.db2.gz IPJNIXWNOHHSGB-HXUWFJFHSA-N 1 0 323.440 3.097 40 0 DGABRO CNc1cc(C)[nH+]c([C@@H]2CCN(Cc3nccn3C(C)C)C2)c1 ZINC000257257815 432423948 /nfs/dbraw/zinc/42/39/48/432423948.db2.gz KREOPWRQJAXDTG-OAHLLOKOSA-N 1 0 313.449 3.199 40 0 DGABRO Cc1ncsc1C[N@@H+]1CC[C@H](c2ncn3ccsc23)C1 ZINC000257283825 432424806 /nfs/dbraw/zinc/42/48/06/432424806.db2.gz OZZKIKVKNKDXOF-NSHDSACASA-N 1 0 304.444 3.150 40 0 DGABRO c1ncc(C[N@H+]2CCC[C@@H](Cc3ccnc4ccncc34)CC2)[nH]1 ZINC000257284328 432425591 /nfs/dbraw/zinc/42/55/91/432425591.db2.gz PCGAVQKMWGZVQD-OAHLLOKOSA-N 1 0 321.428 3.198 40 0 DGABRO C[n+]1cc(Br)cc(-c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000226774377 432707659 /nfs/dbraw/zinc/70/76/59/432707659.db2.gz JEEHHGYUYPHBKS-UHFFFAOYSA-N 1 0 323.601 3.470 40 0 DGABRO Cc1ccc(CC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000223016654 432674805 /nfs/dbraw/zinc/67/48/05/432674805.db2.gz NUIFVXNKGHALGL-MRXNPFEDSA-N 1 0 302.462 3.084 40 0 DGABRO CC(C)[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000225229285 432688616 /nfs/dbraw/zinc/68/86/16/432688616.db2.gz NZXPBGFQXNBDBW-GDBMZVCRSA-N 1 0 306.425 3.198 40 0 DGABRO C[NH+](C)CCN(Cc1ccncc1)Cc1ccnc2ccccc12 ZINC000022913830 289150417 /nfs/dbraw/zinc/15/04/17/289150417.db2.gz CZMFZTRTVYNYFR-UHFFFAOYSA-N 1 0 320.440 3.194 40 0 DGABRO CC[C@H](C)Nc1nc(NCc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000328964614 434336065 /nfs/dbraw/zinc/33/60/65/434336065.db2.gz BXDFNRYGXLEBND-LBPRGKRZSA-N 1 0 314.408 3.159 40 0 DGABRO COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CC[NH2+]CC3)CO[C@H]21 ZINC000257332101 295265900 /nfs/dbraw/zinc/26/59/00/295265900.db2.gz XVTICMTYOKLXKD-DOTOQJQBSA-N 1 0 317.429 3.314 40 0 DGABRO COc1ccccc1NC(=O)CN1Cc2cc(C)c(C)cc2C1 ZINC000409201252 434598752 /nfs/dbraw/zinc/59/87/52/434598752.db2.gz OXCVPVLVJGEAHU-UHFFFAOYSA-N 1 0 310.397 3.266 40 0 DGABRO CC(=O)Nc1cccc(N[N+](=O)c2cccc(NC(C)=O)c2)c1 ZINC000367630311 333201466 /nfs/dbraw/zinc/20/14/66/333201466.db2.gz ULOPITUHYOMTRR-UHFFFAOYSA-O 1 0 313.337 3.041 40 0 DGABRO c1ccc(C[C@@H]2CC3(CO2)CC[NH+](Cc2ccccn2)CC3)nc1 ZINC000257243197 333806091 /nfs/dbraw/zinc/80/60/91/333806091.db2.gz IFVZOZJAWOAYQP-LJQANCHMSA-N 1 0 323.440 3.090 40 0 DGABRO c1nc2n(c1-c1cccnc1)CC1(CC2)CC[NH+](CC2CC2)CC1 ZINC000306138924 534537468 /nfs/dbraw/zinc/53/74/68/534537468.db2.gz SKWHIKPBEBRMTG-UHFFFAOYSA-N 1 0 322.456 3.384 40 0 DGABRO [NH3+][C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC000000039238 545644063 /nfs/dbraw/zinc/64/40/63/545644063.db2.gz BZBYYTSHGRKCJJ-GOSISDBHSA-N 1 0 306.365 3.054 40 0 DGABRO C[NH+](C)Cc1cc(Br)ccc1Oc1ncccn1 ZINC000575422817 547015166 /nfs/dbraw/zinc/01/51/66/547015166.db2.gz JCEJOQBSMYTRDU-UHFFFAOYSA-N 1 0 308.179 3.093 40 0 DGABRO COc1ccccc1C[NH2+]CCc1cc(OC)c(C)cc1OC ZINC000299817320 563914209 /nfs/dbraw/zinc/91/42/09/563914209.db2.gz UTVHBNXCFSATDB-UHFFFAOYSA-N 1 0 315.413 3.353 40 0 in-vitro DGABRO Fc1cccc(C(F)(F)F)c1-c1noc(C2CC[NH2+]CC2)n1 ZINC000199783341 563914473 /nfs/dbraw/zinc/91/44/73/563914473.db2.gz KEIBQZGTIUQQBT-UHFFFAOYSA-N 1 0 315.270 3.362 40 0 DGABRO [NH3+]CC12CCC(CNC(=O)OCc3ccccc3)(CC1)CC2 ZINC001542984468 1188309779 /nfs/dbraw/zinc/30/97/79/1188309779.db2.gz JBIHAUAMMBNUAV-UHFFFAOYSA-N 1 0 302.418 3.212 40 0 DGABRO O=C(Nc1ccc(Cl)cn1)c1ccc(C[NH+]2CCCC2)o1 ZINC000027984179 1193870744 /nfs/dbraw/zinc/87/07/44/1193870744.db2.gz ROOJJRZCAMWULG-UHFFFAOYSA-N 1 0 305.765 3.176 40 0 DGABRO OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OCc1ccccc1 ZINC001772491076 1197699042 /nfs/dbraw/zinc/69/90/42/1197699042.db2.gz DAEQJRXBQKIVSA-PMACEKPBSA-N 1 0 311.425 3.086 40 0 DGABRO Cc1noc(C)c1C(=O)N1CCC[C@@H](c2cc3c[nH+]ccc3[nH]2)C1 ZINC000019579976 282378418 /nfs/dbraw/zinc/37/84/18/282378418.db2.gz FYVVINAATWOSFK-CYBMUJFWSA-N 1 0 324.384 3.188 40 0 DGABRO C[NH2+][C@@H]1CCCC[C@@H]1N(C(=O)OCc1ccccc1)C1CC1 ZINC000079437927 290805519 /nfs/dbraw/zinc/80/55/19/290805519.db2.gz WFOLKPOXBYICIS-SJORKVTESA-N 1 0 302.418 3.318 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccnc1 ZINC000225585037 186280668 /nfs/dbraw/zinc/28/06/68/186280668.db2.gz QOVGJKXGQKICOT-OAHLLOKOSA-N 1 0 306.479 3.023 40 0 DGABRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@](C)(CC)OC)cc1 ZINC000225601744 186282477 /nfs/dbraw/zinc/28/24/77/186282477.db2.gz WCUKSYIATVGDCT-GOSISDBHSA-N 1 0 322.449 3.161 40 0 DGABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225611781 186283498 /nfs/dbraw/zinc/28/34/98/186283498.db2.gz PGBHUIUJHOKRJR-GOSISDBHSA-N 1 0 322.449 3.161 40 0 DGABRO O=c1[nH]c(-c2ccncc2)nc2c1C[N@H+](CC1CCCCC1)CC2 ZINC000072339803 191125948 /nfs/dbraw/zinc/12/59/48/191125948.db2.gz ZFUJCKQMURNBJI-UHFFFAOYSA-N 1 0 324.428 3.183 40 0 DGABRO O=C(Nc1ccccc1Cl)c1ccnc(C2CC[NH2+]CC2)c1 ZINC000072365603 191133963 /nfs/dbraw/zinc/13/39/63/191133963.db2.gz JCNUGRQCFKWARH-UHFFFAOYSA-N 1 0 315.804 3.454 40 0 DGABRO C[N@@H+]1CCC[C@H](c2cnc(NCc3cccc(F)c3)cn2)C1 ZINC000072365087 191134365 /nfs/dbraw/zinc/13/43/65/191134365.db2.gz DVORBGXVFQCSKA-AWEZNQCLSA-N 1 0 300.381 3.037 40 0 DGABRO C[N@@H+]1CCC[C@@H]1c1cccc(C(=O)Nc2ccc(Cl)cn2)n1 ZINC000072365697 191134382 /nfs/dbraw/zinc/13/43/82/191134382.db2.gz NVZVAGMUASBAKV-CQSZACIVSA-N 1 0 316.792 3.149 40 0 DGABRO c1cn2c(n1)nccc2[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072368698 191138625 /nfs/dbraw/zinc/13/86/25/191138625.db2.gz KUWDDRACTAMLIL-KRWDZBQOSA-N 1 0 306.413 3.151 40 0 DGABRO c1cn(-c2cccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cn1 ZINC000072378633 191141537 /nfs/dbraw/zinc/14/15/37/191141537.db2.gz DSYPPXSQVCIRTA-KRWDZBQOSA-N 1 0 319.412 3.042 40 0 DGABRO C[NH+](C)CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000000073771 180684664 /nfs/dbraw/zinc/68/46/64/180684664.db2.gz KTLBHNHQTSINLA-UHFFFAOYSA-N 1 0 309.822 3.354 40 0 DGABRO Cc1noc(C)c1C[N@H+]1CC[C@@H]2O[C@@H](COCC(C)C)CC[C@@H]21 ZINC000107206345 432029457 /nfs/dbraw/zinc/02/94/57/432029457.db2.gz HNSKDONTTVAOKV-NJAFHUGGSA-N 1 0 322.449 3.086 40 0 DGABRO CCCCOC(=O)c1ccc(NC(=O)CC[NH2+]CC(C)C)cc1 ZINC000001671417 180886316 /nfs/dbraw/zinc/88/63/16/180886316.db2.gz KYSGACMHROIIHA-UHFFFAOYSA-N 1 0 320.433 3.218 40 0 DGABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000003865259 181051157 /nfs/dbraw/zinc/05/11/57/181051157.db2.gz KSBZZJRLSSHLLD-CPUCHLNUSA-N 1 0 311.853 3.195 40 0 DGABRO O=C(NC1[C@@H]2CCC[C@H]1C[N@H+](C1CC1)C2)c1ccc(Cl)cc1 ZINC000004935168 181175096 /nfs/dbraw/zinc/17/50/96/181175096.db2.gz FTVQIRKWWNOSJN-VMZNBEPHSA-N 1 0 318.848 3.333 40 0 DGABRO C[C@@H](SCc1ccccc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000078578742 191888876 /nfs/dbraw/zinc/88/88/76/191888876.db2.gz LNNJYKWWVCPCDA-OAHLLOKOSA-N 1 0 320.502 3.156 40 0 DGABRO CC(C)[NH2+]CCO[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000005962933 181301245 /nfs/dbraw/zinc/30/12/45/181301245.db2.gz LATRADDNRKNQQJ-QFIPXVFZSA-N 1 0 317.454 3.454 40 0 DGABRO O=C(CC1CCCC1)N1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC000096156919 283770750 /nfs/dbraw/zinc/77/07/50/283770750.db2.gz PDVNUNNRJHXVNC-UHFFFAOYSA-N 1 0 312.457 3.230 40 0 DGABRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000223993008 201666821 /nfs/dbraw/zinc/66/68/21/201666821.db2.gz OCFBKRSGTIXUJX-OAHLLOKOSA-N 1 0 318.461 3.246 40 0 DGABRO CCN1CCC([NH+]2CCC(C)(c3ncc(C)s3)CC2)CC1 ZINC000257276482 203003698 /nfs/dbraw/zinc/00/36/98/203003698.db2.gz NTXMLAKHSXGYTE-UHFFFAOYSA-N 1 0 307.507 3.289 40 0 DGABRO C[C@]1(C2CC[NH2+]CC2)CCCCN(CCc2ccccc2)C1=O ZINC000257274966 203004048 /nfs/dbraw/zinc/00/40/48/203004048.db2.gz NNKSYKICURTTEC-HXUWFJFHSA-N 1 0 314.473 3.248 40 0 DGABRO CCN1CCC([N@@H+]2CCC[C@@H](Cc3ccc(C)nc3)C2)CC1 ZINC000257295456 203021151 /nfs/dbraw/zinc/02/11/51/203021151.db2.gz QYIZUXDCWSEKKA-SFHVURJKSA-N 1 0 301.478 3.129 40 0 DGABRO Cc1nc(-c2cc(C)nc(CC3CC[NH2+]CC3)n2)sc1C ZINC000257301213 203026379 /nfs/dbraw/zinc/02/63/79/203026379.db2.gz RXKVNPXIALGSFZ-UHFFFAOYSA-N 1 0 302.447 3.067 40 0 DGABRO [NH3+][C@@H]1CCC[C@@H](Oc2ccccc2Oc2cccc(F)c2)[C@@H]1O ZINC000257311652 203035705 /nfs/dbraw/zinc/03/57/05/203035705.db2.gz UKLZRYVZFNGKNB-ZTFGCOKTSA-N 1 0 317.360 3.238 40 0 DGABRO Cc1nc(C[N@@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)cs1 ZINC000257305314 203029849 /nfs/dbraw/zinc/02/98/49/203029849.db2.gz SPKBGIJJTSWRRP-CYBMUJFWSA-N 1 0 313.430 3.102 40 0 DGABRO CCCCc1ncc(C[N@@H+]2CCC[C@@H](c3nc(C)c[nH]3)C2)[nH]1 ZINC000257309368 203035028 /nfs/dbraw/zinc/03/50/28/203035028.db2.gz UAQYGNRWXQMOLS-CQSZACIVSA-N 1 0 301.438 3.163 40 0 DGABRO Cc1ccc([C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)nc1 ZINC000257284019 203011799 /nfs/dbraw/zinc/01/17/99/203011799.db2.gz PAXXSEZSCONSRN-IBGZPJMESA-N 1 0 307.397 3.445 40 0 DGABRO c1ccc(C[NH+]2CCC3(CO[C@@H](Cc4cccnc4)C3)CC2)nc1 ZINC000257330060 203052673 /nfs/dbraw/zinc/05/26/73/203052673.db2.gz XMPQESUFSGVUQJ-IBGZPJMESA-N 1 0 323.440 3.090 40 0 DGABRO c1cc(C[N@@H+]2CCC3(CC(Nc4ccncn4)C3)C2)cs1 ZINC000257329750 203053010 /nfs/dbraw/zinc/05/30/10/203053010.db2.gz XLJOHPFUPLGROJ-UHFFFAOYSA-N 1 0 300.431 3.005 40 0 DGABRO c1cc([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)n[nH]1 ZINC000257311128 203037332 /nfs/dbraw/zinc/03/73/32/203037332.db2.gz UICKOZRPSOPWKJ-QGZVFWFLSA-N 1 0 319.412 3.246 40 0 DGABRO Cc1c[nH]c([C@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000257319788 203042560 /nfs/dbraw/zinc/04/25/60/203042560.db2.gz VUAQQADBRUPQAI-AWEZNQCLSA-N 1 0 303.381 3.116 40 0 DGABRO Clc1cccc(-c2cnc3n2C[C@H](C[NH2+]C2CCC2)OC3)c1 ZINC000096269356 193607473 /nfs/dbraw/zinc/60/74/73/193607473.db2.gz PWQKUWZWTRMOBD-HNNXBMFYSA-N 1 0 317.820 3.244 40 0 biogenic,in-vitro DGABRO Fc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000019293791 182113750 /nfs/dbraw/zinc/11/37/50/182113750.db2.gz VPBJLNQDQNDIIJ-HNNXBMFYSA-N 1 0 324.359 3.260 40 0 DGABRO Cc1ccc(C2(C[NH+]3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC000019208424 182107019 /nfs/dbraw/zinc/10/70/19/182107019.db2.gz DEHNBYQAOAZAQZ-UHFFFAOYSA-N 1 0 321.468 3.239 40 0 DGABRO Cc1cc(C)c2c(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)n[nH]c2n1 ZINC000019657290 182134970 /nfs/dbraw/zinc/13/49/70/182134970.db2.gz CVWGGTHKBKDURY-MRXNPFEDSA-N 1 0 321.428 3.261 40 0 DGABRO CC[NH+](CC)CCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000022794978 182335129 /nfs/dbraw/zinc/33/51/29/182335129.db2.gz ZMCDSBQGSSIJLF-PMACEKPBSA-N 1 0 312.457 3.393 40 0 DGABRO COc1cc2c(c(C)c1OC)[C@H](Cc1ccc(O)cc1)[NH2+]CC2 ZINC000024717669 182388949 /nfs/dbraw/zinc/38/89/49/182388949.db2.gz YSMUOYHZXXHUDU-INIZCTEOSA-N 1 0 313.397 3.147 40 0 DGABRO O=C(CCc1ccccc1F)NCCC[NH+]1CCCCCC1 ZINC000041799903 183220715 /nfs/dbraw/zinc/22/07/15/183220715.db2.gz YZRGHLMIBNXESD-UHFFFAOYSA-N 1 0 306.425 3.141 40 0 DGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccccc2F)C1 ZINC000044140371 183396726 /nfs/dbraw/zinc/39/67/26/183396726.db2.gz CRUYUDPGENQQIF-ZIAGYGMSSA-N 1 0 323.481 3.480 40 0 DGABRO C[N@H+]1Cc2cnn(CC3CCCC3)c2[C@H](COCC2CC2)C1 ZINC000105134925 194077529 /nfs/dbraw/zinc/07/75/29/194077529.db2.gz RQPYPJAUMAPCDD-KRWDZBQOSA-N 1 0 303.450 3.029 40 0 DGABRO C1CCC(O[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@H]3CCCC[C@H]32)C1 ZINC000242400241 257120812 /nfs/dbraw/zinc/12/08/12/257120812.db2.gz ARUFQWJKFOKKNK-ZSYWTGECSA-N 1 0 306.494 3.473 40 0 DGABRO Cc1cc(N)ncc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072218496 257124563 /nfs/dbraw/zinc/12/45/63/257124563.db2.gz KVCXEWIDGZZAKE-MRXNPFEDSA-N 1 0 311.385 3.446 40 0 DGABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216185 257124881 /nfs/dbraw/zinc/12/48/81/257124881.db2.gz BEMVNOXOZXOOQZ-KRWDZBQOSA-N 1 0 303.450 3.101 40 0 DGABRO CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCC[NH2+]2)cn1)C1CC1 ZINC000072215304 257126012 /nfs/dbraw/zinc/12/60/12/257126012.db2.gz XZHSXXUPIUAWCO-AWEZNQCLSA-N 1 0 303.406 3.410 40 0 DGABRO CC(C)(C)OC(=O)N(c1ccc([C@H]2CCC[NH2+]2)cn1)C1CC1 ZINC000072215305 257126086 /nfs/dbraw/zinc/12/60/86/257126086.db2.gz XZHSXXUPIUAWCO-CQSZACIVSA-N 1 0 303.406 3.410 40 0 DGABRO CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCC[NH2+]1)C1CC1 ZINC000072215365 257126116 /nfs/dbraw/zinc/12/61/16/257126116.db2.gz RFPWTBACUUBBNG-CQSZACIVSA-N 1 0 303.406 3.410 40 0 DGABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](C)C4)nn3c2)c1 ZINC000306122963 533370505 /nfs/dbraw/zinc/37/05/05/533370505.db2.gz AAWUFCFZHGHOHZ-INIZCTEOSA-N 1 0 322.412 3.214 40 0 DGABRO C[C@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccn1 ZINC000585108942 400126231 /nfs/dbraw/zinc/12/62/31/400126231.db2.gz GZOCEMXSAOCPQS-MNEFBYGVSA-N 1 0 321.424 3.018 40 0 DGABRO C[C@H]1CCCN([C@H](C[NH3+])c2ccccc2OC(F)(F)F)C1 ZINC000108350007 400343429 /nfs/dbraw/zinc/34/34/29/400343429.db2.gz FALFGAHFGMNHNS-WCQYABFASA-N 1 0 302.340 3.317 40 0 DGABRO Cc1c2cccc(C)c2oc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171452091 274668188 /nfs/dbraw/zinc/66/81/88/274668188.db2.gz QSTQNVRBHOQTQX-HNNXBMFYSA-N 1 0 312.413 3.360 40 0 DGABRO O=C(c1ccco1)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096161073 275014263 /nfs/dbraw/zinc/01/42/63/275014263.db2.gz AZSNCQLMLNJFPG-UHFFFAOYSA-N 1 0 316.788 3.215 40 0 DGABRO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[NH2+]C3)cc2n1 ZINC000012220411 275729823 /nfs/dbraw/zinc/72/98/23/275729823.db2.gz YRJHCJVKIIYOCV-JTQLQIEISA-N 1 0 312.339 3.339 40 0 DGABRO CC(C)(C)OC(=O)NCC1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000098213747 277197739 /nfs/dbraw/zinc/19/77/39/277197739.db2.gz JDHYSTKZEGAESE-UHFFFAOYSA-N 1 0 324.852 3.486 40 0 DGABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[NH+]1CCCCCC1)C2 ZINC000009970750 278430641 /nfs/dbraw/zinc/43/06/41/278430641.db2.gz PIWZUYGSMGBKSL-MTNOOBJLSA-N 1 0 309.494 3.455 40 0 DGABRO CC[NH+](CC)CCCC(=O)Nc1cc(OC)cc2cccnc21 ZINC000001600066 431231916 /nfs/dbraw/zinc/23/19/16/431231916.db2.gz QNTNGBBRNOHQLJ-UHFFFAOYSA-N 1 0 315.417 3.304 40 0 DGABRO C[N@H+](CCO)CCN1c2ccccc2Sc2ccccc21 ZINC000001636909 431232874 /nfs/dbraw/zinc/23/28/74/431232874.db2.gz DHSXOMFXWAZKJH-UHFFFAOYSA-N 1 0 300.427 3.213 40 0 DGABRO CC(=O)Nc1ccc(CCCCc2cccc(C(N)=[NH2+])c2)cc1 ZINC000001583116 431233979 /nfs/dbraw/zinc/23/39/79/431233979.db2.gz XDYCSHXPLSQNMR-UHFFFAOYSA-N 1 0 309.413 3.494 40 0 DGABRO COCC[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000007540224 431352731 /nfs/dbraw/zinc/35/27/31/431352731.db2.gz WNEKNQXRARMKAK-UHFFFAOYSA-N 1 0 315.413 3.053 40 0 DGABRO COc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccc(C)cc1 ZINC000008550147 431403515 /nfs/dbraw/zinc/40/35/15/431403515.db2.gz LVGYXBPNTWYEJG-HNNXBMFYSA-N 1 0 315.413 3.053 40 0 DGABRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000010279857 431457366 /nfs/dbraw/zinc/45/73/66/431457366.db2.gz QCRCBSHTEARHBV-AWEZNQCLSA-N 1 0 324.852 3.100 40 0 DGABRO Cc1cc(Cl)ccc1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000012170395 431494904 /nfs/dbraw/zinc/49/49/04/431494904.db2.gz CGTWDODYBVWANC-DVOMOZLQSA-N 1 0 311.853 3.366 40 0 DGABRO Cc1ccc2c(CC(=O)N(C)CC[NH+]3CCCCC3)coc2c1 ZINC000012346164 431503145 /nfs/dbraw/zinc/50/31/45/431503145.db2.gz LDLHOJGYUZVNNQ-UHFFFAOYSA-N 1 0 314.429 3.228 40 0 DGABRO O=C(CCSCc1ccccc1)NCC[NH+]1CCCCCC1 ZINC000013688194 431564756 /nfs/dbraw/zinc/56/47/56/431564756.db2.gz ICRCQORRWFFWAC-UHFFFAOYSA-N 1 0 320.502 3.302 40 0 DGABRO COc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccc(C)cc3)cc2c1 ZINC000013999151 431576698 /nfs/dbraw/zinc/57/66/98/431576698.db2.gz HFPLUSPNLWYVEL-UHFFFAOYSA-N 1 0 308.381 3.135 40 0 DGABRO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1F ZINC000017467223 431616960 /nfs/dbraw/zinc/61/69/60/431616960.db2.gz UQVPRKDTEWEKHO-WBMJQRKESA-N 1 0 309.356 3.386 40 0 DGABRO C[C@@H]1CN([C@H](C[NH3+])c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000020009120 288251440 /nfs/dbraw/zinc/25/14/40/288251440.db2.gz VWNPDOBODKGLFJ-GBIKHYSHSA-N 1 0 303.233 3.102 40 0 DGABRO Cc1ccc(Cl)cc1NC(=O)COc1cccc(C[NH3+])c1 ZINC000036720783 431840714 /nfs/dbraw/zinc/84/07/14/431840714.db2.gz GZVCFVKDXJQCAS-UHFFFAOYSA-N 1 0 304.777 3.125 40 0 DGABRO Cc1c(Cl)cccc1NC(=O)COc1ccc(C[NH3+])cc1 ZINC000036720769 431841284 /nfs/dbraw/zinc/84/12/84/431841284.db2.gz UMYMHKALAVHOMG-UHFFFAOYSA-N 1 0 304.777 3.125 40 0 DGABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096047501 431934819 /nfs/dbraw/zinc/93/48/19/431934819.db2.gz WBJJLSPIWNQYGC-SFHVURJKSA-N 1 0 304.409 3.193 40 0 DGABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)co1 ZINC000096039800 431935149 /nfs/dbraw/zinc/93/51/49/431935149.db2.gz IIGWTLYDUWSVMC-QZTJIDSGSA-N 1 0 305.418 3.077 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)s1 ZINC000096041071 431935175 /nfs/dbraw/zinc/93/51/75/431935175.db2.gz IZUWLZNLHGCSPZ-RBSFLKMASA-N 1 0 319.430 3.243 40 0 DGABRO Cc1ccc(CN2CC3(C2)CC[N@H+](Cc2ccsc2)C3)o1 ZINC000096046484 431935825 /nfs/dbraw/zinc/93/58/25/431935825.db2.gz NPMYLRIPXJQNKR-UHFFFAOYSA-N 1 0 302.443 3.357 40 0 DGABRO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)s1 ZINC000096053794 431936714 /nfs/dbraw/zinc/93/67/14/431936714.db2.gz VIGHMSDUAOAPSU-IYBDPMFKSA-N 1 0 313.470 3.015 40 0 DGABRO CC(C)C[N@@H+]1CC[C@H](c2nnc(-c3ccc(N(C)C)cc3)o2)C1 ZINC000049170216 431936860 /nfs/dbraw/zinc/93/68/60/431936860.db2.gz GGJKZGZVQYKOEF-HNNXBMFYSA-N 1 0 314.433 3.248 40 0 biogenic,in-vitro DGABRO O=C(Nc1ccccc1)N1CCC2(C[NH+](CC3CCCC3)C2)C1 ZINC000096070783 431936897 /nfs/dbraw/zinc/93/68/97/431936897.db2.gz WKXVSRDRXXZQDF-UHFFFAOYSA-N 1 0 313.445 3.416 40 0 DGABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccco3)C[C@@H]12 ZINC000096058440 431937431 /nfs/dbraw/zinc/93/74/31/431937431.db2.gz NAGKLTBGSVUZON-UXHICEINSA-N 1 0 324.424 3.044 40 0 DGABRO Cc1nc(CO[C@H]2CO[C@]3(CC[N@H+](CC4CCC4)C3)C2)cs1 ZINC000096072406 431937588 /nfs/dbraw/zinc/93/75/88/431937588.db2.gz IXBCUGMTJCVEON-IAGOWNOFSA-N 1 0 322.474 3.002 40 0 DGABRO CO[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110522 431939127 /nfs/dbraw/zinc/93/91/27/431939127.db2.gz JJUMKQQLRQKWPC-ICSRJNTNSA-N 1 0 310.441 3.470 40 0 DGABRO CCc1ccc(C[N@@H+]2CC[C@@H](OC)[C@@H]2Cc2cccnc2)o1 ZINC000096200136 431942371 /nfs/dbraw/zinc/94/23/71/431942371.db2.gz ZOLIVUHKRLNKMW-ZWKOTPCHSA-N 1 0 300.402 3.069 40 0 DGABRO COC[C@H]1COCCC12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096206288 431943107 /nfs/dbraw/zinc/94/31/07/431943107.db2.gz JLSLKTJAXWTGLI-HNNXBMFYSA-N 1 0 309.475 3.322 40 0 DGABRO CC(C)[NH2+]C[C@H]1Cn2c(-c3cccc(Cl)c3)cnc2CO1 ZINC000096269354 431943322 /nfs/dbraw/zinc/94/33/22/431943322.db2.gz YQEHVUMZDMEVAV-AWEZNQCLSA-N 1 0 305.809 3.100 40 0 biogenic,in-vitro DGABRO CC(C)Nc1nc2c(c(NC3CC3)n1)C[N@H+](CC1CCC1)CC2 ZINC000096254189 431943669 /nfs/dbraw/zinc/94/36/69/431943669.db2.gz HNXKVIFBNPHWQN-UHFFFAOYSA-N 1 0 315.465 3.029 40 0 DGABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC000100809739 431982948 /nfs/dbraw/zinc/98/29/48/431982948.db2.gz LTVDLOPFBXVBIV-GASCZTMLSA-N 1 0 305.422 3.007 40 0 DGABRO c1cc2n(c1)C[C@H](OCc1cccnc1)C[N@H+](C1CCCC1)C2 ZINC000253588932 432400859 /nfs/dbraw/zinc/40/08/59/432400859.db2.gz ZKRNZIKJTSAMGS-IBGZPJMESA-N 1 0 311.429 3.227 40 0 DGABRO c1cncc(OCC[C@H]2CCOC23CC[NH+](C2CCC2)CC3)c1 ZINC000253588734 432401152 /nfs/dbraw/zinc/40/11/52/432401152.db2.gz QEQMZIWZLZDQDT-INIZCTEOSA-N 1 0 316.445 3.274 40 0 DGABRO CC[C@@H](C)n1nccc1C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000256049959 432414935 /nfs/dbraw/zinc/41/49/35/432414935.db2.gz CBQIYSIMQKRQAM-CQSZACIVSA-N 1 0 317.433 3.204 40 0 DGABRO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cccs3)C2)[nH+]1 ZINC000257199586 432416272 /nfs/dbraw/zinc/41/62/72/432416272.db2.gz AAAJLDMBFADSRZ-CYBMUJFWSA-N 1 0 315.442 3.147 40 0 DGABRO C[N@H+](CCc1ccccc1)Cc1cnc([C@@H]2CCCCO2)nc1 ZINC000257202872 432418290 /nfs/dbraw/zinc/41/82/90/432418290.db2.gz ANUDPRQVBVIJBQ-SFHVURJKSA-N 1 0 311.429 3.393 40 0 DGABRO Cc1nccc([C@@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257241236 432422005 /nfs/dbraw/zinc/42/20/05/432422005.db2.gz HXGDWCXDRQSYDL-GOSISDBHSA-N 1 0 321.424 3.440 40 0 DGABRO COc1cc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)ccc1F ZINC000257249960 432422293 /nfs/dbraw/zinc/42/22/93/432422293.db2.gz JKKMBQNXPPJTKQ-HNNXBMFYSA-N 1 0 315.392 3.312 40 0 DGABRO CC(C)[N@@H+]1CCC[C@H]1c1cccc(N2C(=O)OCC2(C)C)n1 ZINC000257331983 432423986 /nfs/dbraw/zinc/42/39/86/432423986.db2.gz XVEYIQONISBYBP-AWEZNQCLSA-N 1 0 303.406 3.362 40 0 DGABRO O=C1OC2(CN1c1cc([C@H]3CCC[NH2+]C3)ccn1)CCCCC2 ZINC000257263199 432424162 /nfs/dbraw/zinc/42/41/62/432424162.db2.gz LOVXIFDQUHRPRB-HNNXBMFYSA-N 1 0 315.417 3.208 40 0 DGABRO Cc1ncc(CN(C)C)c([C@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000257318831 432424821 /nfs/dbraw/zinc/42/48/21/432424821.db2.gz VPOKEPYVDPTRGA-LJQANCHMSA-N 1 0 324.472 3.226 40 0 DGABRO [NH3+]C[C@H]1CC[C@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 ZINC000257316450 432424947 /nfs/dbraw/zinc/42/49/47/432424947.db2.gz VFQIHCZEKIVMNH-ATZDWAIDSA-N 1 0 323.440 3.052 40 0 DGABRO CNc1ncccc1C[NH+]1CCC(C)(c2ncc(C)s2)CC1 ZINC000257260582 432424968 /nfs/dbraw/zinc/42/49/68/432424968.db2.gz LDMQRUARFKHVLW-UHFFFAOYSA-N 1 0 316.474 3.442 40 0 DGABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000176329841 432511327 /nfs/dbraw/zinc/51/13/27/432511327.db2.gz PXSXWMIYKAZZMF-GOSISDBHSA-N 1 0 318.461 3.001 40 0 DGABRO Cc1ccccc1O[C@H](C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000216452934 432651408 /nfs/dbraw/zinc/65/14/08/432651408.db2.gz XPLIOTPZIKCVPR-QGZVFWFLSA-N 1 0 318.461 3.001 40 0 DGABRO COc1cc(C=O)ccc1OCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000217797222 432657009 /nfs/dbraw/zinc/65/70/09/432657009.db2.gz QAAXXPBOMJSCQO-HNNXBMFYSA-N 1 0 305.418 3.399 40 0 DGABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225729938 432696347 /nfs/dbraw/zinc/69/63/47/432696347.db2.gz GGOHBTURBXHJIY-SFHVURJKSA-N 1 0 322.449 3.161 40 0 DGABRO O=C(NCC[NH+]1CCCCC1)c1ccc2sc(Cl)nc2c1 ZINC000225975531 432702084 /nfs/dbraw/zinc/70/20/84/432702084.db2.gz RCBTXPJWFOSPAA-UHFFFAOYSA-N 1 0 323.849 3.165 40 0 DGABRO COc1ccc(Cl)cc1C(=O)NCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000225039577 432685065 /nfs/dbraw/zinc/68/50/65/432685065.db2.gz UPOYVRKAGGSLMG-STQMWFEESA-N 1 0 324.852 3.056 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(F)cc1 ZINC000225185152 432688271 /nfs/dbraw/zinc/68/82/71/432688271.db2.gz VRUUSLOTIDYJHN-QGZVFWFLSA-N 1 0 306.425 3.139 40 0 DGABRO COc1ccc(CN2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000339109395 433365690 /nfs/dbraw/zinc/36/56/90/433365690.db2.gz KCJBDBSOIMHBLX-UHFFFAOYSA-N 1 0 319.408 3.439 40 0 DGABRO CCNc1cc(N2CCc3cc(OC)ccc3C2)nc(C2CC2)[nH+]1 ZINC000328983158 434339385 /nfs/dbraw/zinc/33/93/85/434339385.db2.gz HEGAUYZXPOUYSC-UHFFFAOYSA-N 1 0 324.428 3.357 40 0 DGABRO CC(C)Nc1nc(NCc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329059558 434350916 /nfs/dbraw/zinc/35/09/16/434350916.db2.gz WHPWAHPGXVLKBG-UHFFFAOYSA-N 1 0 316.836 3.284 40 0 DGABRO O=C(c1ccccc1)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408613713 434588974 /nfs/dbraw/zinc/58/89/74/434588974.db2.gz ZPOVXWTWTKKMPD-HXUWFJFHSA-N 1 0 320.436 3.350 40 0 DGABRO O=[N+]1C(c2ccccc2)=C(c2ccccc2)N(O)[C@H]2CCCC[C@H]21 ZINC000100385077 304849619 /nfs/dbraw/zinc/84/96/19/304849619.db2.gz NTSVJVRLDPGQJC-HDICACEKSA-N 1 0 320.392 3.310 40 0 DGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCCCC1 ZINC000046374483 545682928 /nfs/dbraw/zinc/68/29/28/545682928.db2.gz YXWXUQJPEOJNRU-UHFFFAOYSA-N 1 0 300.446 3.479 40 0 DGABRO [NH3+][C@H]1C[C@@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc21 ZINC000261637915 655814301 /nfs/dbraw/zinc/81/43/01/655814301.db2.gz HYZZGQJOAHUDLM-RBUKOAKNSA-N 1 0 321.424 3.048 40 0 DGABRO Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH+]c1NCc1cccc(O)c1 ZINC000000819090 1192626647 /nfs/dbraw/zinc/62/66/47/1192626647.db2.gz VDLHQAOSEMVLHL-UHFFFAOYSA-N 1 0 324.340 3.313 40 0 DGABRO O=C1CCC[C@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC001547139816 1188445868 /nfs/dbraw/zinc/44/58/68/1188445868.db2.gz MHLMBYWVPBTMRI-ZJOUEHCJSA-N 1 0 320.436 3.323 40 0 DGABRO c1ccc2c(c1)C=CO[C@H]2C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000026895353 1193864511 /nfs/dbraw/zinc/86/45/11/1193864511.db2.gz IGNDBFYZORRAOJ-KXBFYZLASA-N 1 0 309.365 3.158 40 0 DGABRO Cc1nc2sc3c(c2c([N+]2=C4C=CC=C[C@@H]4N=N2)n1)CCC3 ZINC000101456294 282138833 /nfs/dbraw/zinc/13/88/33/282138833.db2.gz NZSAEOSWVMFEJD-NSHDSACASA-N 1 0 308.390 3.449 40 0 DGABRO CCN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]([NH3+])C(C)C ZINC000079421011 185170688 /nfs/dbraw/zinc/17/06/88/185170688.db2.gz CTSZMRFVTUSQRV-ZDUSSCGKSA-N 1 0 303.233 3.325 40 0 DGABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000079420423 185170733 /nfs/dbraw/zinc/17/07/33/185170733.db2.gz DHTSEYNJYYEQDI-AWEZNQCLSA-N 1 0 315.244 3.468 40 0 DGABRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)o1 ZINC000306127823 529642353 /nfs/dbraw/zinc/64/23/53/529642353.db2.gz GINCXPHHCIKKKH-RBUKOAKNSA-N 1 0 311.429 3.086 40 0 DGABRO Cc1noc(C)c1CN1CC[C@@H]([NH+](C)C)[C@@H]1Cc1ccccc1 ZINC000096261352 282384565 /nfs/dbraw/zinc/38/45/65/282384565.db2.gz SBHPHTNJHOBDRN-MOPGFXCFSA-N 1 0 313.445 3.039 40 0 DGABRO C[C@H](c1ccccn1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000072203780 191075368 /nfs/dbraw/zinc/07/53/68/191075368.db2.gz LBYCCMUITUMZQP-CQSZACIVSA-N 1 0 319.449 3.379 40 0 DGABRO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072355533 191130420 /nfs/dbraw/zinc/13/04/20/191130420.db2.gz MSHQVZGRKMRHIR-HNNXBMFYSA-N 1 0 313.449 3.374 40 0 DGABRO Cc1csc(CCNc2ccc([C@H]3CCC[N@H+]3C)nc2)n1 ZINC000072365558 191134108 /nfs/dbraw/zinc/13/41/08/191134108.db2.gz BZAQAUSWTRIYTF-OAHLLOKOSA-N 1 0 302.447 3.268 40 0 DGABRO Cn1cc(C[N@@H+]2CC[C@@H](Cc3ccc4ncccc4c3)C2)cn1 ZINC000072368003 191137825 /nfs/dbraw/zinc/13/78/25/191137825.db2.gz GFBBLBNPRYJLGH-INIZCTEOSA-N 1 0 306.413 3.033 40 0 DGABRO CCc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)cc1 ZINC000072372993 191139359 /nfs/dbraw/zinc/13/93/59/191139359.db2.gz WBSHPIRITDNBBW-DLBZAZTESA-N 1 0 323.440 3.185 40 0 DGABRO COc1ccc2cc(C[NH2+][C@@H]3CCCC[C@@H]3C)c(=O)[nH]c2c1 ZINC000004130511 181077370 /nfs/dbraw/zinc/07/73/70/181077370.db2.gz XRNWYVIHEPPHAR-BLLLJJGKSA-N 1 0 300.402 3.205 40 0 DGABRO Cc1cccc(CC[NH2+]Cc2cc3ccc(C)cc3[nH]c2=O)c1 ZINC000004160534 181079752 /nfs/dbraw/zinc/07/97/52/181079752.db2.gz JEFYXWZCQQBXPH-UHFFFAOYSA-N 1 0 306.409 3.477 40 0 DGABRO C/C=C1\C[N@@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(O)cc21 ZINC000004824951 181157088 /nfs/dbraw/zinc/15/70/88/181157088.db2.gz VBKQRUUVDAWDIP-OYYJBKRWSA-N 1 0 310.397 3.014 40 0 DGABRO C[NH+]1CCC(CC(=O)Nc2cccc(Br)c2)CC1 ZINC000074921053 191388435 /nfs/dbraw/zinc/38/84/35/191388435.db2.gz VMVULSGVDQFLIV-UHFFFAOYSA-N 1 0 311.223 3.120 40 0 DGABRO Cc1cccc(-c2cc3nc(C)cc(NCCC[NH+](C)C)n3n2)c1 ZINC000004969558 181181120 /nfs/dbraw/zinc/18/11/20/181181120.db2.gz XEGDMEBEXWICKV-UHFFFAOYSA-N 1 0 323.444 3.377 40 0 DGABRO COc1ccccc1C(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005222291 181218558 /nfs/dbraw/zinc/21/85/58/181218558.db2.gz AXUGOKFRYJOWGL-GDBMZVCRSA-N 1 0 303.402 3.117 40 0 biogenic,in-vitro DGABRO Cc1ncc([C@H](O)c2ccc(N(C)C)cc2)n1Cc1ccccc1 ZINC000005504224 181250539 /nfs/dbraw/zinc/25/05/39/181250539.db2.gz BZMRQEWXHXRKPM-HXUWFJFHSA-N 1 0 321.424 3.388 40 0 DGABRO CCCCOc1ccc(C(=O)OC[C@@H](CC)[NH2+]CCC)cc1N ZINC000005838157 181288275 /nfs/dbraw/zinc/28/82/75/181288275.db2.gz AXMDYMYZWTVDCF-OAHLLOKOSA-N 1 0 322.449 3.383 40 0 DGABRO COc1ccc(OC[C@H](O)C[NH+]2CCCCC2)c(C(C)(C)C)c1 ZINC000006306041 181327837 /nfs/dbraw/zinc/32/78/37/181327837.db2.gz ZZTSUGQTZLFYFX-OAHLLOKOSA-N 1 0 321.461 3.218 40 0 DGABRO COc1ccc(C(=O)[C@@H](C[NH+](C)C)c2ccc(OC)cc2)cc1 ZINC000006437114 181341303 /nfs/dbraw/zinc/34/13/03/181341303.db2.gz GZANJSHFALBLSZ-SFHVURJKSA-N 1 0 313.397 3.232 40 0 DGABRO O=C(OCc1ccccc1)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC000091303109 193035473 /nfs/dbraw/zinc/03/54/73/193035473.db2.gz AGAPVQPPVREENV-QGZVFWFLSA-N 1 0 302.418 3.177 40 0 DGABRO CC1CC[NH+](CCCNC(=S)Nc2ccc(F)cc2)CC1 ZINC000007027240 181432639 /nfs/dbraw/zinc/43/26/39/181432639.db2.gz ZCMAGYCWFKWNGC-UHFFFAOYSA-N 1 0 309.454 3.234 40 0 DGABRO Cc1ncsc1-c1cncc(C2CC[NH+](C(C)C)CC2)n1 ZINC000257272693 203001686 /nfs/dbraw/zinc/00/16/86/203001686.db2.gz NDKZTHHKYVEUFK-UHFFFAOYSA-N 1 0 302.447 3.496 40 0 DGABRO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccsc2)cc(N(C)C)n1 ZINC000257273730 203001962 /nfs/dbraw/zinc/00/19/62/203001962.db2.gz NHXWUVOKJCEFMG-OAHLLOKOSA-N 1 0 302.447 3.250 40 0 DGABRO COc1cccc(F)c1C[N@@H+]1CCC[C@@H](c2nc(C)cn2C)C1 ZINC000257332443 203055332 /nfs/dbraw/zinc/05/53/32/203055332.db2.gz XXIZYSVQBVJKLD-CQSZACIVSA-N 1 0 317.408 3.256 40 0 DGABRO c1cc2cc(C[C@H]3COCC[N@H+](Cc4ccccn4)C3)ccc2[nH]1 ZINC000257313787 203037801 /nfs/dbraw/zinc/03/78/01/203037801.db2.gz UUDOQKWUAQMJOG-QGZVFWFLSA-N 1 0 321.424 3.254 40 0 DGABRO Cc1cccc(C[N@H+]2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)n1 ZINC000257317754 203043506 /nfs/dbraw/zinc/04/35/06/203043506.db2.gz VKZIBWGIRLCLEV-AYOQOUSVSA-N 1 0 309.413 3.074 40 0 DGABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)c2ccccc21 ZINC000257322233 203047726 /nfs/dbraw/zinc/04/77/26/203047726.db2.gz WFCVVTNJFSGPKA-OAHLLOKOSA-N 1 0 306.413 3.348 40 0 DGABRO c1cnc2c(c1)cccc2C[NH+]1CCC(c2cnccn2)CC1 ZINC000257325305 203048806 /nfs/dbraw/zinc/04/88/06/203048806.db2.gz WSIPZWDOIAJXCT-UHFFFAOYSA-N 1 0 304.397 3.404 40 0 DGABRO COc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](Cc4cc[nH]n4)C3)cc2c1 ZINC000257335733 203058422 /nfs/dbraw/zinc/05/84/22/203058422.db2.gz YLOSEGZUOZPHBQ-AWEZNQCLSA-N 1 0 324.428 3.354 40 0 DGABRO COc1ccc2[nH]c(C[N@@H+]3CCC[C@H](Cc4cc[nH]n4)C3)cc2c1 ZINC000257335734 203058997 /nfs/dbraw/zinc/05/89/97/203058997.db2.gz YLOSEGZUOZPHBQ-CQSZACIVSA-N 1 0 324.428 3.354 40 0 DGABRO C[C@]12C[C@@H]3C[NH2+][C@H]1CCCC[C@H]2N3C(=O)OCc1ccccc1 ZINC000095951586 193456089 /nfs/dbraw/zinc/45/60/89/193456089.db2.gz KCTMWICTANZANU-NTDBWNAOSA-N 1 0 314.429 3.318 40 0 DGABRO COc1cc(C=O)ccc1OCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000008731458 181580429 /nfs/dbraw/zinc/58/04/29/181580429.db2.gz OORCWKMBMDLTPT-GJZGRUSLSA-N 1 0 305.418 3.255 40 0 DGABRO COCC[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000016362777 182041971 /nfs/dbraw/zinc/04/19/71/182041971.db2.gz ZGMFGXMQOIFIGH-UHFFFAOYSA-N 1 0 315.413 3.319 40 0 DGABRO Fc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019340981 182116815 /nfs/dbraw/zinc/11/68/15/182116815.db2.gz KXMJBUKKFGONFI-OAHLLOKOSA-N 1 0 324.359 3.260 40 0 DGABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccncc3)cc2)C1 ZINC000022532171 182325682 /nfs/dbraw/zinc/32/56/82/182325682.db2.gz CRBUQWQDFYQZRW-INIZCTEOSA-N 1 0 323.440 3.244 40 0 DGABRO OC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1C(F)(F)F ZINC000024269359 182378151 /nfs/dbraw/zinc/37/81/51/182378151.db2.gz VOXDILDMGONGDK-HNNXBMFYSA-N 1 0 309.331 3.399 40 0 DGABRO Cc1cnc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)s1 ZINC000027979820 182501641 /nfs/dbraw/zinc/50/16/41/182501641.db2.gz HDHXHSAICKOZAC-UHFFFAOYSA-N 1 0 305.403 3.283 40 0 DGABRO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCCCCC1 ZINC000039766045 183021589 /nfs/dbraw/zinc/02/15/89/183021589.db2.gz JJXYHFHIHGDZTD-UHFFFAOYSA-N 1 0 318.436 3.440 40 0 DGABRO C[C@]12CCCN(C(=O)c3cc4ccccc4[nH]3)[C@H]1CCCC[NH2+]2 ZINC000257217040 256618982 /nfs/dbraw/zinc/61/89/82/256618982.db2.gz CXEMGZSNGGUQND-HKUYNNGSSA-N 1 0 311.429 3.305 40 0 DGABRO CC(=O)N1CCCC[C@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219254 257124318 /nfs/dbraw/zinc/12/43/18/257124318.db2.gz SKABCDFQVVFAHV-KRWDZBQOSA-N 1 0 301.434 3.454 40 0 DGABRO Cc1ccccc1C(=O)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238866493 257213279 /nfs/dbraw/zinc/21/32/79/257213279.db2.gz LWUJVCXSUBLQOE-IBGZPJMESA-N 1 0 320.436 3.268 40 0 DGABRO CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000585109230 400125113 /nfs/dbraw/zinc/12/51/13/400125113.db2.gz DHQKQYLHTNQPLX-OKZBNKHCSA-N 1 0 312.457 3.329 40 0 DGABRO Cc1cccc(CO[C@H]2CSC3(C[NH+](C4CCCC4)C3)C2)n1 ZINC000585105058 400125931 /nfs/dbraw/zinc/12/59/31/400125931.db2.gz OKWNMDJFWWGDBS-QGZVFWFLSA-N 1 0 318.486 3.409 40 0 DGABRO CCOCC[C@@H]1CCOC12CC[NH+](Cc1cccc(C)n1)CC2 ZINC000585104986 400126000 /nfs/dbraw/zinc/12/60/00/400126000.db2.gz NCCPOFZRABVFBD-QGZVFWFLSA-N 1 0 318.461 3.188 40 0 DGABRO c1ccc(CO[C@H]2CSC3(C[NH+](C4CCCC4)C3)C2)nc1 ZINC000585105403 400126055 /nfs/dbraw/zinc/12/60/55/400126055.db2.gz WAMCRSJBWCRCPR-MRXNPFEDSA-N 1 0 304.459 3.101 40 0 DGABRO COCC[C@H]1CCOC12CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000585102975 400126117 /nfs/dbraw/zinc/12/61/17/400126117.db2.gz NJLOGJKGEXFNKK-SFHVURJKSA-N 1 0 303.446 3.403 40 0 DGABRO c1nc2ccccn2c1-c1cccc(C[C@H]2CCC[NH2+]CC2)n1 ZINC000585262830 400130190 /nfs/dbraw/zinc/13/01/90/400130190.db2.gz AAXUMWNQVGTQBN-HNNXBMFYSA-N 1 0 306.413 3.329 40 0 DGABRO CCCC(CCC)[N@@H+]1CCOC[C@](O)(COc2ccccc2)C1 ZINC000585287862 400130956 /nfs/dbraw/zinc/13/09/56/400130956.db2.gz UDWXMIYZWFBRQT-IBGZPJMESA-N 1 0 321.461 3.098 40 0 DGABRO C[N@@H+]1CC[C@@H]2[C@H]1CCCCN2C(=O)c1ccc2c(c1)CCCC2 ZINC000019712355 400186316 /nfs/dbraw/zinc/18/63/16/400186316.db2.gz ZJWDZGZLLYQNQR-RTBURBONSA-N 1 0 312.457 3.264 40 0 DGABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000129212903 196029148 /nfs/dbraw/zinc/02/91/48/196029148.db2.gz ADNWZGXHODXRNS-CQSZACIVSA-N 1 0 302.418 3.288 40 0 DGABRO CC[NH+]1CCC2(C[C@H](CC(=O)N(C)C)c3ccc(F)cc32)CC1 ZINC000096100650 273650603 /nfs/dbraw/zinc/65/06/03/273650603.db2.gz UFVGSPACIZUAIN-AWEZNQCLSA-N 1 0 318.436 3.145 40 0 DGABRO O=C(c1ccco1)N1CCCC12CC[NH+](Cc1ccco1)CC2 ZINC000096049323 275014272 /nfs/dbraw/zinc/01/42/72/275014272.db2.gz DCABXWWDAXNVJN-UHFFFAOYSA-N 1 0 314.385 3.143 40 0 DGABRO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2C2CCCCC2)nc1 ZINC000257222424 277037997 /nfs/dbraw/zinc/03/79/97/277037997.db2.gz DTFXZAHCBYFSHR-SFHVURJKSA-N 1 0 301.434 3.187 40 0 DGABRO NC(=O)C(CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000000001438 431112240 /nfs/dbraw/zinc/11/22/40/431112240.db2.gz UETXPGADPCBQFT-UHFFFAOYSA-N 1 0 322.452 3.334 40 0 in-man DGABRO O=C(C[C@@H](c1ccccc1)[NH+]1CCCCC1)OC[C@H]1CCCO1 ZINC000001569393 431229608 /nfs/dbraw/zinc/22/96/08/431229608.db2.gz JPWQZUQDQORRCQ-MSOLQXFVSA-N 1 0 317.429 3.326 40 0 DGABRO C[C@H](O)c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)cc1 ZINC000007540905 431354384 /nfs/dbraw/zinc/35/43/84/431354384.db2.gz URMYNGAXHBPSJY-XJKSGUPXSA-N 1 0 301.386 3.269 40 0 DGABRO CCOc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1ccccc1 ZINC000008254647 431388028 /nfs/dbraw/zinc/38/80/28/431388028.db2.gz VXKIBGRSJQPSLO-OAHLLOKOSA-N 1 0 315.413 3.135 40 0 DGABRO CCOc1cccc(C[NH2+]CCc2ccc(OC)c(OC)c2)c1 ZINC000008325227 431393939 /nfs/dbraw/zinc/39/39/39/431393939.db2.gz JBIFJCQCCGEELV-UHFFFAOYSA-N 1 0 315.413 3.435 40 0 DGABRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000009876635 431446250 /nfs/dbraw/zinc/44/62/50/431446250.db2.gz YHODADAONDZXDP-JTQLQIEISA-N 1 0 316.232 3.457 40 0 DGABRO Cc1ccc(CCC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000010540909 431464558 /nfs/dbraw/zinc/46/45/58/431464558.db2.gz QKXNRCAIBIWTDB-UHFFFAOYSA-N 1 0 302.462 3.166 40 0 DGABRO c1ccc2c(c1)C[N@@H+](Cc1ccncc1)CC1(CCOCC1)O2 ZINC000012088437 431490061 /nfs/dbraw/zinc/49/00/61/431490061.db2.gz VBFRACBKLFRXEV-UHFFFAOYSA-N 1 0 310.397 3.025 40 0 DGABRO c1ccc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)nc1 ZINC000012088438 431490652 /nfs/dbraw/zinc/49/06/52/431490652.db2.gz QUUOTOCPBINWRX-UHFFFAOYSA-N 1 0 310.397 3.025 40 0 DGABRO Cc1cc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1Cl ZINC000012170405 431494069 /nfs/dbraw/zinc/49/40/69/431494069.db2.gz ASCOOIJCINVEAP-UMVBOHGHSA-N 1 0 311.853 3.366 40 0 DGABRO C=Cn1ncc(C[N@@H+](C)Cc2cc(=O)[nH]c3ccccc23)c1C ZINC000012188434 431497385 /nfs/dbraw/zinc/49/73/85/431497385.db2.gz LJZSZUQWKZSHGO-UHFFFAOYSA-N 1 0 308.385 3.178 40 0 DGABRO Cc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000012292077 431500000 /nfs/dbraw/zinc/50/00/00/431500000.db2.gz MXOQEFMVFKNUBL-LJQANCHMSA-N 1 0 311.425 3.012 40 0 DGABRO COc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032461951 431780497 /nfs/dbraw/zinc/78/04/97/431780497.db2.gz HWUXUPXBZRYUFK-UHFFFAOYSA-N 1 0 324.424 3.221 40 0 DGABRO NC(=[NH2+])SCc1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000089262045 431862881 /nfs/dbraw/zinc/86/28/81/431862881.db2.gz PFGSRMZINUYRQH-UHFFFAOYSA-N 1 0 303.174 3.170 40 0 DGABRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000044791108 431877732 /nfs/dbraw/zinc/87/77/32/431877732.db2.gz LLXBTPBIPVNVJJ-UHFFFAOYSA-N 1 0 308.397 3.315 40 0 DGABRO O=C(c1ccsc1)N1CCC2(CC[N@H+](CC3CC3)C2)CC1 ZINC000096046658 431934903 /nfs/dbraw/zinc/93/49/03/431934903.db2.gz PQGDPLHMAVVLBU-UHFFFAOYSA-N 1 0 304.459 3.086 40 0 DGABRO Cc1ccsc1C[N@H+]1CC[C@H]2C[C@@H](c3noc(C)n3)O[C@@H]2C1 ZINC000096046413 431934966 /nfs/dbraw/zinc/93/49/66/431934966.db2.gz LRYVKTNQGVHGEG-MELADBBJSA-N 1 0 319.430 3.100 40 0 DGABRO c1cncc(CN2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)c1 ZINC000096049319 431935239 /nfs/dbraw/zinc/93/52/39/431935239.db2.gz FCMSHBOTBYKYRO-UHFFFAOYSA-N 1 0 322.456 3.107 40 0 DGABRO Fc1cccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)c1 ZINC000096047574 431935403 /nfs/dbraw/zinc/93/54/03/431935403.db2.gz RUBPDDZDTSPLSD-AEFFLSMTSA-N 1 0 316.376 3.264 40 0 DGABRO Fc1cccc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC000096053849 431936744 /nfs/dbraw/zinc/93/67/44/431936744.db2.gz XTCYPGILFWGFKQ-IYBDPMFKSA-N 1 0 316.445 3.451 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)o1 ZINC000096057002 431936841 /nfs/dbraw/zinc/93/68/41/431936841.db2.gz CKHUCMLMMYHWJX-RBUKOAKNSA-N 1 0 319.445 3.386 40 0 DGABRO c1coc(-c2nnc([C@H]3CC[N@@H+](Cc4cccs4)C3)o2)c1 ZINC000049169524 431936970 /nfs/dbraw/zinc/93/69/70/431936970.db2.gz YRTFUGHUSCXAQD-NSHDSACASA-N 1 0 301.371 3.381 40 0 biogenic,in-vitro DGABRO Fc1ccccc1C[N@@H+]1CC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000049169571 431937242 /nfs/dbraw/zinc/93/72/42/431937242.db2.gz NUFJNNQZORUFQC-HNNXBMFYSA-N 1 0 324.359 3.260 40 0 biogenic,in-vitro DGABRO CC(C)N1CC2(CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21 ZINC000096078778 431937934 /nfs/dbraw/zinc/93/79/34/431937934.db2.gz DWCGIENRGUGAFG-INIZCTEOSA-N 1 0 300.446 3.038 40 0 DGABRO CN1C(=O)C2(CC[NH+](Cc3ccco3)CC2)[C@@H]1c1ccccc1 ZINC000096100233 431938311 /nfs/dbraw/zinc/93/83/11/431938311.db2.gz VRYZAROQKVDXOP-KRWDZBQOSA-N 1 0 310.397 3.075 40 0 DGABRO CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096106391 431939108 /nfs/dbraw/zinc/93/91/08/431939108.db2.gz IFBLKSFDZPVANI-INIZCTEOSA-N 1 0 307.434 3.243 40 0 DGABRO CCOC[C@H]1CC2(CO1)CC[NH+](Cc1ccccc1OC)CC2 ZINC000096105901 431939232 /nfs/dbraw/zinc/93/92/32/431939232.db2.gz WPWIBWSVYJLPKB-QGZVFWFLSA-N 1 0 319.445 3.103 40 0 DGABRO CCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1)C2 ZINC000096215669 431942239 /nfs/dbraw/zinc/94/22/39/431942239.db2.gz QBVTVRKWSDXFRB-LJQANCHMSA-N 1 0 302.462 3.393 40 0 DGABRO Cc1noc(C)c1CN1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000096202755 431942389 /nfs/dbraw/zinc/94/23/89/431942389.db2.gz JWHOFIBPMPZFHB-UHFFFAOYSA-N 1 0 317.458 3.061 40 0 DGABRO CCOC[C@H]1CCC2(CCN(Cc3ccc(C)o3)CC2)[N@@H+]1C ZINC000096209496 431942559 /nfs/dbraw/zinc/94/25/59/431942559.db2.gz BYZNTICMTORODL-MRXNPFEDSA-N 1 0 306.450 3.053 40 0 DGABRO Cc1ccc(N2CCC[C@@]3(CC[N@H+](CC4CCCC4)C3)C2)nn1 ZINC000096217111 431942621 /nfs/dbraw/zinc/94/26/21/431942621.db2.gz GJQOQVVROIWNSA-IBGZPJMESA-N 1 0 314.477 3.268 40 0 DGABRO c1ccc(O[C@H]2COC3(C2)CC[NH+](CC2CCC2)CC3)cc1 ZINC000096221852 431942658 /nfs/dbraw/zinc/94/26/58/431942658.db2.gz FKOXXDVWEKCZPR-GOSISDBHSA-N 1 0 301.430 3.489 40 0 DGABRO COC[C@H]1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)[N@@H+]1C ZINC000096219142 431942699 /nfs/dbraw/zinc/94/26/99/431942699.db2.gz GPIBEYYEGHXMRX-OAHLLOKOSA-N 1 0 324.415 3.040 40 0 DGABRO Cc1ccc2cc(C[NH2+]Cc3ccc(F)cc3)c3nnnn3c2c1 ZINC000013998161 281142520 /nfs/dbraw/zinc/14/25/20/281142520.db2.gz WRNOVNUEIMJUEO-UHFFFAOYSA-N 1 0 321.359 3.015 40 0 DGABRO Fc1ccccc1OCCC[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257217799 432418201 /nfs/dbraw/zinc/41/82/01/432418201.db2.gz DAQUGXPOHJYQPC-OAHLLOKOSA-N 1 0 315.392 3.264 40 0 DGABRO C[N@H+](CCc1ccccc1)Cc1cnc([C@H]2CCCCO2)nc1 ZINC000257202871 432419314 /nfs/dbraw/zinc/41/93/14/432419314.db2.gz ANUDPRQVBVIJBQ-GOSISDBHSA-N 1 0 311.429 3.393 40 0 DGABRO Cn1ncc2ccc([C@H]3CCC[N@H+](Cc4ccsc4)C3)nc21 ZINC000257222702 432419797 /nfs/dbraw/zinc/41/97/97/432419797.db2.gz DUKAZLRQCFBAAH-HNNXBMFYSA-N 1 0 312.442 3.409 40 0 DGABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cnccn3)C2)c2cc(F)ccc21 ZINC000257227302 432419992 /nfs/dbraw/zinc/41/99/92/432419992.db2.gz FOPRZTJUQSNVAU-AWEZNQCLSA-N 1 0 324.403 3.487 40 0 DGABRO C[N@@H+](Cc1ccc(OCCF)cc1)C[C@H](O)c1ccccc1 ZINC000257321824 432424070 /nfs/dbraw/zinc/42/40/70/432424070.db2.gz WDJRTGRRKWDVPA-SFHVURJKSA-N 1 0 303.377 3.200 40 0 DGABRO Cc1c[nH]c([C@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257266503 432424115 /nfs/dbraw/zinc/42/41/15/432424115.db2.gz MDGXYTRXXPOOIO-KRWDZBQOSA-N 1 0 309.413 3.374 40 0 DGABRO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2cccc3cccnc32)n1 ZINC000257269768 432424764 /nfs/dbraw/zinc/42/47/64/432424764.db2.gz MRHUOWFEBWKSQI-KRWDZBQOSA-N 1 0 319.412 3.404 40 0 DGABRO CNc1cncc([C@H]2CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000257261114 432424994 /nfs/dbraw/zinc/42/49/94/432424994.db2.gz LFTJZSRNJRCANO-QGZVFWFLSA-N 1 0 307.401 3.337 40 0 DGABRO Cc1ccsc1CN1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257291498 432425469 /nfs/dbraw/zinc/42/54/69/432425469.db2.gz QHFHRSDHZKMPNY-OAHLLOKOSA-N 1 0 316.474 3.245 40 0 DGABRO Cc1nc(Nc2cc(C)nc([C@H]3CCC[NH2+]C3)n2)sc1C ZINC000257265209 432425791 /nfs/dbraw/zinc/42/57/91/432425791.db2.gz LXSSCXSZPXLILS-LBPRGKRZSA-N 1 0 303.435 3.069 40 0 DGABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCCC1 ZINC000216384337 432649610 /nfs/dbraw/zinc/64/96/10/432649610.db2.gz BEEOFAPQVKPXMD-INIZCTEOSA-N 1 0 324.852 3.100 40 0 DGABRO CC(C)(C)C[N@@H+]1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225486875 432692397 /nfs/dbraw/zinc/69/23/97/432692397.db2.gz PTIWJEBMJLVREE-AWEZNQCLSA-N 1 0 306.381 3.403 40 0 biogenic,in-vitro DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(F)cc1 ZINC000225185182 432687501 /nfs/dbraw/zinc/68/75/01/432687501.db2.gz VRUUSLOTIDYJHN-KRWDZBQOSA-N 1 0 306.425 3.139 40 0 DGABRO S=C(NC1CCCC1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000225230971 432687672 /nfs/dbraw/zinc/68/76/72/432687672.db2.gz ILWINOMHBDZRQV-UHFFFAOYSA-N 1 0 323.531 3.119 40 0 DGABRO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000331523016 432946265 /nfs/dbraw/zinc/94/62/65/432946265.db2.gz KNVRMPUKIQNPCE-DLTLXFJOSA-N 1 0 319.424 3.046 40 0 DGABRO CN(C)CC[N@@H+](Cc1cccs1)C[C@H]1CCOC(C)(C)C1 ZINC000021151193 289150423 /nfs/dbraw/zinc/15/04/23/289150423.db2.gz RRNGTPCUDMLNBW-HNNXBMFYSA-N 1 0 310.507 3.317 40 0 DGABRO Cn1c2ccc(C[NH+]3CCC4(CCCC4)CC3)cc2oc1=O ZINC000351403223 433504715 /nfs/dbraw/zinc/50/47/15/433504715.db2.gz YMFHCUSLUQWVKF-UHFFFAOYSA-N 1 0 300.402 3.288 40 0 DGABRO CCc1cc(N2Cc3ccccc3C[C@H]2C)nc(NC(C)C)[nH+]1 ZINC000328973603 434335173 /nfs/dbraw/zinc/33/51/73/434335173.db2.gz FASLGEGGTHTMNY-CQSZACIVSA-N 1 0 310.445 3.811 40 0 DGABRO CCNc1nc(N2Cc3ccccc3C(C)(C)C2)cc(CC)[nH+]1 ZINC000328985270 434340002 /nfs/dbraw/zinc/34/00/02/434340002.db2.gz HRTBUTOWRVODAG-UHFFFAOYSA-N 1 0 310.445 3.769 40 0 DGABRO CC[C@@H](C)Nc1nc(N2Cc3ccccc3C[C@H]2C)cc(C)[nH+]1 ZINC000329027134 434346080 /nfs/dbraw/zinc/34/60/80/434346080.db2.gz PRDKYBMDJMGRDR-UKRRQHHQSA-N 1 0 310.445 3.947 40 0 DGABRO Cc1ccc(CNc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329019899 434346843 /nfs/dbraw/zinc/34/68/43/434346843.db2.gz NYYRPHVOHPVOFX-UHFFFAOYSA-N 1 0 322.456 3.473 40 0 DGABRO CC[C@H](C)Nc1nc(NCc2ccccc2C)cc(C2CC2)[nH+]1 ZINC000329048346 434348506 /nfs/dbraw/zinc/34/85/06/434348506.db2.gz UJMNJUNQPQMTQY-AWEZNQCLSA-N 1 0 310.445 3.329 40 0 DGABRO C[NH+](C)CCCN1CN=C(c2ccccc2)N(c2ccccc2)C1 ZINC000022609041 535832844 /nfs/dbraw/zinc/83/28/44/535832844.db2.gz OYRMANOSGAUYBY-UHFFFAOYSA-N 1 0 322.456 3.122 40 0 DGABRO O=C1CC[C@@]2(CCC[N@H+](CC3CCCCC3)CC2)N1CCF ZINC000585100024 547025511 /nfs/dbraw/zinc/02/55/11/547025511.db2.gz CMUHPNIGYHKJDI-GOSISDBHSA-N 1 0 310.457 3.383 40 0 DGABRO Cc1cc(C)cc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228929085 574531677 /nfs/dbraw/zinc/53/16/77/574531677.db2.gz SRTBTOJREUBRAC-UHFFFAOYSA-N 1 0 322.416 3.111 40 0 DGABRO Fc1cc(-c2noc(C3CC[NH2+]CC3)n2)cc(C(F)(F)F)c1 ZINC000199783615 563914494 /nfs/dbraw/zinc/91/44/94/563914494.db2.gz SECRCTRIYOJZSM-UHFFFAOYSA-N 1 0 315.270 3.362 40 0 DGABRO Cc1nc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](C)C3)cc2)oc1C ZINC000006500433 1193317479 /nfs/dbraw/zinc/31/74/79/1193317479.db2.gz JEJGRYBUIYRIMA-HNNXBMFYSA-N 1 0 313.401 3.239 40 0 DGABRO COc1ccc(C)cc1NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000028229480 1193871703 /nfs/dbraw/zinc/87/17/03/1193871703.db2.gz ZBFIXYDITHRLHA-UHFFFAOYSA-N 1 0 314.385 3.445 40 0 DGABRO Cc1nc2c(n1C(C)C)CN(C)CC21CC[NH+](CC(C)C)CC1 ZINC000306123650 231084164 /nfs/dbraw/zinc/08/41/64/231084164.db2.gz ASZXAMVEWWXQKI-UHFFFAOYSA-N 1 0 318.509 3.207 40 0 DGABRO CN1c2ccccc2C2(CC[NH+](Cc3cccs3)CC2)C1=O ZINC000104998212 432017674 /nfs/dbraw/zinc/01/76/74/432017674.db2.gz QNQQVYDEAKICPW-UHFFFAOYSA-N 1 0 312.438 3.258 40 0 DGABRO C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1nccs1 ZINC000072203974 191075489 /nfs/dbraw/zinc/07/54/89/191075489.db2.gz JDHIYJVEFBSJLC-NSHDSACASA-N 1 0 311.451 3.193 40 0 DGABRO Cc1csc(Nc2cc(C3C[NH+](C(C)C)C3)nc(C)n2)n1 ZINC000072382650 191143315 /nfs/dbraw/zinc/14/33/15/191143315.db2.gz FRSRIRVNHJGNJK-UHFFFAOYSA-N 1 0 303.435 3.101 40 0 DGABRO c1cncc(Oc2cncc([C@H]3CCC[N@@H+](CC4CC4)C3)n2)c1 ZINC000072383890 191143669 /nfs/dbraw/zinc/14/36/69/191143669.db2.gz ADHAQEBGAHKRBY-HNNXBMFYSA-N 1 0 310.401 3.253 40 0 DGABRO Cc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000072389922 191147562 /nfs/dbraw/zinc/14/75/62/191147562.db2.gz PHZAFEFRMRWEBN-QGZVFWFLSA-N 1 0 320.396 3.430 40 0 DGABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389901 191147860 /nfs/dbraw/zinc/14/78/60/191147860.db2.gz YGJZQWOLNDWXFI-HNNXBMFYSA-N 1 0 324.359 3.260 40 0 DGABRO CCn1cc(-c2cncn2CCCn2ccnc2C(C)C)cn1 ZINC000072399282 191148861 /nfs/dbraw/zinc/14/88/61/191148861.db2.gz RNOPLKMJGWYSHH-UHFFFAOYSA-N 1 0 312.421 3.177 40 0 DGABRO c1cc2ccc(C[N@H+]3CCOC[C@H](Cc4ccccn4)C3)cc2[nH]1 ZINC000072388195 191146984 /nfs/dbraw/zinc/14/69/84/191146984.db2.gz FRMPDUMCUWWSSV-QGZVFWFLSA-N 1 0 321.424 3.254 40 0 DGABRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000002684794 180946806 /nfs/dbraw/zinc/94/68/06/180946806.db2.gz DTBHTBRIQWMLAA-INIZCTEOSA-N 1 0 321.461 3.433 40 0 DGABRO CCCC(=O)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000005822742 181287008 /nfs/dbraw/zinc/28/70/08/181287008.db2.gz QZMGKAQILLEFNX-UHFFFAOYSA-N 1 0 319.474 3.286 40 0 DGABRO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000006503772 181346821 /nfs/dbraw/zinc/34/68/21/181346821.db2.gz BJICGNVCCYBCAT-IBGZPJMESA-N 1 0 311.425 3.101 40 0 DGABRO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000028645531 283954228 /nfs/dbraw/zinc/95/42/28/283954228.db2.gz JUKMAYKVHWKRKY-OLZOCXBDSA-N 1 0 302.201 3.392 40 0 in-vivo DGABRO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccsc2)cc(N(C)C)n1 ZINC000257273729 203002192 /nfs/dbraw/zinc/00/21/92/203002192.db2.gz NHXWUVOKJCEFMG-HNNXBMFYSA-N 1 0 302.447 3.250 40 0 DGABRO COc1cccc(F)c1C[N@@H+]1CCC[C@@H](c2cnccn2)C1 ZINC000257295974 203020710 /nfs/dbraw/zinc/02/07/10/203020710.db2.gz RAQSTLXDOYJBMW-CYBMUJFWSA-N 1 0 301.365 3.004 40 0 DGABRO CCn1nccc1-c1cc(C)nc(C2CC[NH+](C(C)C)CC2)n1 ZINC000257303811 203027205 /nfs/dbraw/zinc/02/72/05/203027205.db2.gz SIUULTORTIOPSY-UHFFFAOYSA-N 1 0 313.449 3.256 40 0 DGABRO CCN1CC[NH2+]C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O ZINC000257303662 203028748 /nfs/dbraw/zinc/02/87/48/203028748.db2.gz SIDGWLKIYFGFRF-HXUWFJFHSA-N 1 0 322.452 3.272 40 0 DGABRO CCCCc1ncc(C[N@@H+]2CCC[C@@H](c3nc(C)cn3C)C2)[nH]1 ZINC000257306003 203030191 /nfs/dbraw/zinc/03/01/91/203030191.db2.gz SSMKEJMZMCDPDK-OAHLLOKOSA-N 1 0 315.465 3.174 40 0 DGABRO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2)nc1 ZINC000257304972 203030254 /nfs/dbraw/zinc/03/02/54/203030254.db2.gz SNXQTOYHUZYJGL-FQEVSTJZSA-N 1 0 323.440 3.363 40 0 DGABRO Cc1ccsc1CN1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257291497 203018039 /nfs/dbraw/zinc/01/80/39/203018039.db2.gz QHFHRSDHZKMPNY-HNNXBMFYSA-N 1 0 316.474 3.245 40 0 DGABRO CCn1cc(-c2cnc(C[C@H]3CCC[N@@H+](C(C)C)C3)cn2)cn1 ZINC000257312273 203037026 /nfs/dbraw/zinc/03/70/26/203037026.db2.gz UNDSXMXFFVVQGQ-OAHLLOKOSA-N 1 0 313.449 3.023 40 0 DGABRO Cc1nc(Nc2cc([C@H]3CC[N@@H+](C)C3)nc(C)n2)sc1C ZINC000257317667 203039829 /nfs/dbraw/zinc/03/98/29/203039829.db2.gz VKRLCHMQHPJEKR-LBPRGKRZSA-N 1 0 303.435 3.021 40 0 DGABRO CC(C)Cc1ncc(-c2cncc(C[C@@H]3CCC[NH2+]C3)n2)s1 ZINC000257337321 203060868 /nfs/dbraw/zinc/06/08/68/203060868.db2.gz YSIHSEARFHYSQU-ZDUSSCGKSA-N 1 0 316.474 3.341 40 0 DGABRO Cn1nccc1C[N@@H+]1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257344181 203066824 /nfs/dbraw/zinc/06/68/24/203066824.db2.gz ZWBPORIEGNZOAD-OAHLLOKOSA-N 1 0 306.413 3.033 40 0 DGABRO Cc1ccccc1C[NH+]1CCC2(CN(C(=O)C(C)C)C2)CC1 ZINC000096070983 193521608 /nfs/dbraw/zinc/52/16/08/193521608.db2.gz KNPLKYGEUVXDQX-UHFFFAOYSA-N 1 0 300.446 3.075 40 0 DGABRO COc1cc(C=O)ccc1OCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000008731459 181580157 /nfs/dbraw/zinc/58/01/57/181580157.db2.gz OORCWKMBMDLTPT-HUUCEWRRSA-N 1 0 305.418 3.255 40 0 DGABRO c1ccc(C[NH+]2CCC(c3nc(-c4ccncc4)n[nH]3)CC2)cc1 ZINC000012336871 181751817 /nfs/dbraw/zinc/75/18/17/181751817.db2.gz BEPQPZMKZQFKPO-UHFFFAOYSA-N 1 0 319.412 3.246 40 0 DGABRO CC(C)(C)c1noc([C@@H]2CC[N@H+](Cc3ccccc3F)C2)n1 ZINC000019084652 182104788 /nfs/dbraw/zinc/10/47/88/182104788.db2.gz FXFWKZDZKLYTBV-CYBMUJFWSA-N 1 0 303.381 3.496 40 0 DGABRO O[C@@H](C[NH+]1CCC(Oc2cccc(F)c2)CC1)c1cccs1 ZINC000019294224 182113638 /nfs/dbraw/zinc/11/36/38/182113638.db2.gz XQDRUIJWPFCBBG-INIZCTEOSA-N 1 0 321.417 3.464 40 0 DGABRO CCCC(=O)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 ZINC000019501429 182126256 /nfs/dbraw/zinc/12/62/56/182126256.db2.gz PBWCVDPEJGHMAN-ZHALLVOQSA-N 1 0 300.446 3.313 40 0 DGABRO CC(C)CC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000019446586 182123912 /nfs/dbraw/zinc/12/39/12/182123912.db2.gz FHAUBQIGDGOHKY-ZHALLVOQSA-N 1 0 318.436 3.260 40 0 DGABRO CCn1nc(C)c(-c2cncn2C[C@@H](C)[NH+]2CCCCC2)c1C ZINC000019719611 182138161 /nfs/dbraw/zinc/13/81/61/182138161.db2.gz ROXNMEURZIJCFY-CQSZACIVSA-N 1 0 315.465 3.258 40 0 DGABRO C[NH+](C)CCCNc1nc(-c2ccccn2)cc2ncccc21 ZINC000019582396 182132587 /nfs/dbraw/zinc/13/25/87/182132587.db2.gz DERYBFSPXHJMNP-UHFFFAOYSA-N 1 0 307.401 3.055 40 0 DGABRO COc1ccc(CN(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000019582558 182132597 /nfs/dbraw/zinc/13/25/97/182132597.db2.gz KUPHMIXZOJTULX-UHFFFAOYSA-N 1 0 304.459 3.321 40 0 DGABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3cccnc3)cc2)CC1 ZINC000019933612 182167121 /nfs/dbraw/zinc/16/71/21/182167121.db2.gz VOZXAZIFUMPDOU-UHFFFAOYSA-N 1 0 323.440 3.244 40 0 DGABRO COc1cc2ccccc2cc1C(=O)NCCC[NH+]1CCCC1 ZINC000020045634 182183884 /nfs/dbraw/zinc/18/38/84/182183884.db2.gz VQQQMGGSFAWWOP-UHFFFAOYSA-N 1 0 312.413 3.064 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(C)cc1 ZINC000020493669 182224281 /nfs/dbraw/zinc/22/42/81/182224281.db2.gz FPFVMVDPFIOQQQ-SFHVURJKSA-N 1 0 302.462 3.308 40 0 DGABRO Cc1c2cccc(C)c2oc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171452095 432133876 /nfs/dbraw/zinc/13/38/76/432133876.db2.gz QSTQNVRBHOQTQX-OAHLLOKOSA-N 1 0 312.413 3.360 40 0 DGABRO O=C(c1csc2ccccc12)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171444886 432134372 /nfs/dbraw/zinc/13/43/72/432134372.db2.gz GCGNLVJAGGJQMA-ZDUSSCGKSA-N 1 0 300.427 3.212 40 0 DGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccccc2)C1 ZINC000044140350 183396476 /nfs/dbraw/zinc/39/64/76/183396476.db2.gz ZABLUNIABZRMSM-HUUCEWRRSA-N 1 0 305.491 3.341 40 0 DGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000046374492 183560952 /nfs/dbraw/zinc/56/09/52/183560952.db2.gz XXDWGFTWXAHRTF-UHFFFAOYSA-N 1 0 312.388 3.352 40 0 DGABRO O=C(Cc1cccs1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374472 183561018 /nfs/dbraw/zinc/56/10/18/183561018.db2.gz VRZQIQMJHRHNAL-UHFFFAOYSA-N 1 0 314.454 3.203 40 0 DGABRO Cc1ccc(CN(CCC[NH+](C)C)Cc2cccc(O)c2)o1 ZINC000057810832 184055694 /nfs/dbraw/zinc/05/56/94/184055694.db2.gz FFNVDGWULUYWBA-UHFFFAOYSA-N 1 0 302.418 3.248 40 0 DGABRO c1csc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000157020465 197156137 /nfs/dbraw/zinc/15/61/37/197156137.db2.gz DZFBSCAOOHMWGA-CQSZACIVSA-N 1 0 316.426 3.294 40 0 DGABRO C1CCC(O[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@H]3CCCC[C@@H]32)C1 ZINC000242400238 257120773 /nfs/dbraw/zinc/12/07/73/257120773.db2.gz ARUFQWJKFOKKNK-CADBVGFASA-N 1 0 306.494 3.473 40 0 DGABRO Cc1nc(N(C)C)ccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072218748 257124258 /nfs/dbraw/zinc/12/42/58/257124258.db2.gz PSGKMULVQBQGQR-QGZVFWFLSA-N 1 0 309.413 3.433 40 0 DGABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(N3CCOCC3)nc2)cc1 ZINC000072216152 257125153 /nfs/dbraw/zinc/12/51/53/257125153.db2.gz NFLJSOPSDOGNCB-IBGZPJMESA-N 1 0 323.440 3.255 40 0 DGABRO COC(=O)[C@@H](C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000070453731 257127781 /nfs/dbraw/zinc/12/77/81/257127781.db2.gz YJLLJZPQQXPQTL-ZDUSSCGKSA-N 1 0 301.308 3.058 40 0 DGABRO COCC[C@H]1CCOC12CC[NH+](Cc1ccccc1OC)CC2 ZINC000585103290 400125099 /nfs/dbraw/zinc/12/50/99/400125099.db2.gz AQUVBJLOGVHGCW-KRWDZBQOSA-N 1 0 319.445 3.103 40 0 DGABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccc(F)c1)CC2 ZINC000585100835 400125862 /nfs/dbraw/zinc/12/58/62/400125862.db2.gz YMGBZGXJAIDILK-SFHVURJKSA-N 1 0 304.409 3.193 40 0 DGABRO Cc1ccc(Cl)c(OCC2(O)CC[NH+](C3CCC3)CC2)c1 ZINC000585281592 400130378 /nfs/dbraw/zinc/13/03/78/400130378.db2.gz MEGLYTYPEZBAER-UHFFFAOYSA-N 1 0 309.837 3.407 40 0 DGABRO C[NH2+][C@@H]1CCC[C@@H](Nc2ccccc2Oc2ccccc2)[C@@H]1O ZINC000585262376 400130517 /nfs/dbraw/zinc/13/05/17/400130517.db2.gz CGVRSUSWDFQEIY-ZHALLVOQSA-N 1 0 312.413 3.392 40 0 DGABRO O=C(Nc1nc([C@H]2CCC[NH2+]2)cs1)c1cccc(Cl)c1 ZINC000585266815 400130967 /nfs/dbraw/zinc/13/09/67/400130967.db2.gz QDQCZBJXMBFPFR-LLVKDONJSA-N 1 0 307.806 3.473 40 0 DGABRO Cc1nn(C(C)C)c(C)c1CN1CC[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019712056 400186698 /nfs/dbraw/zinc/18/66/98/400186698.db2.gz YDSCAVMMUVQROA-ZWKOTPCHSA-N 1 0 304.482 3.187 40 0 DGABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1ccc(C)c(C)c1 ZINC000019712525 400187060 /nfs/dbraw/zinc/18/70/60/400187060.db2.gz UFNYBDNALFYCNT-RTBURBONSA-N 1 0 300.446 3.279 40 0 DGABRO CC(C)(C)OC(=O)NCC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000150020424 400662593 /nfs/dbraw/zinc/66/25/93/400662593.db2.gz MLEWUTJRQFIQFV-UHFFFAOYSA-N 1 0 324.852 3.486 40 0 DGABRO CC[NH+](CC)C[C@@H](O)CNc1ccnc2cc(Cl)ccc21 ZINC000002042605 273638146 /nfs/dbraw/zinc/63/81/46/273638146.db2.gz ZVFMMJFXUUKKFN-ZDUSSCGKSA-N 1 0 307.825 3.003 40 0 DGABRO c1cc(C[NH+]2CCC3(CCN(c4ncccn4)C3)CC2)cs1 ZINC000096046593 275063945 /nfs/dbraw/zinc/06/39/45/275063945.db2.gz LEYSRTADWAGZQP-UHFFFAOYSA-N 1 0 314.458 3.031 40 0 DGABRO c1cc(C[N@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)co1 ZINC000306133950 275064585 /nfs/dbraw/zinc/06/45/85/275064585.db2.gz NAFLIOPQGUPNNO-MSOLQXFVSA-N 1 0 319.408 3.447 40 0 DGABRO CC1=C[C@@H](C)[C@H]([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)[C@@H](C)C1 ZINC000053944172 276184341 /nfs/dbraw/zinc/18/43/41/276184341.db2.gz MPVKDSOURSACLP-GUYJKWIASA-N 1 0 309.417 3.323 40 0 DGABRO COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1N)[NH2+]CC2 ZINC000020458214 277394693 /nfs/dbraw/zinc/39/46/93/277394693.db2.gz VUADPOYIHKDPEK-QGZVFWFLSA-N 1 0 318.804 3.175 40 0 DGABRO CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3)[NH2+]CCC[C@H]12 ZINC000228975113 278413998 /nfs/dbraw/zinc/41/39/98/278413998.db2.gz XRRQIGUDVJTTIW-MAUKXSAKSA-N 1 0 302.418 3.275 40 0 DGABRO CCN1CC[C@@]2(CCC[N@H+](Cc3ccccc3C)CC2)C1=O ZINC000108531381 431147566 /nfs/dbraw/zinc/14/75/66/431147566.db2.gz DFPHKOSVKDINQF-IBGZPJMESA-N 1 0 300.446 3.220 40 0 DGABRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)c(F)c2)[C@@H]([NH3+])C1 ZINC000071790653 431287296 /nfs/dbraw/zinc/28/72/96/431287296.db2.gz SHDNLRJVAIEXBN-RISCZKNCSA-N 1 0 312.360 3.017 40 0 DGABRO C[N@H+](C[C@H](O)CN1CCCc2ccccc21)C1CCCCC1 ZINC000005423056 431307084 /nfs/dbraw/zinc/30/70/84/431307084.db2.gz DRFCVARXMUVTPU-SFHVURJKSA-N 1 0 302.462 3.065 40 0 DGABRO CC(C)[NH2+]CCCC1(C(N)=O)c2ccccc2-c2ccccc21 ZINC000001855421 279606929 /nfs/dbraw/zinc/60/69/29/279606929.db2.gz UCEWGESNIULAGX-UHFFFAOYSA-N 1 0 308.425 3.217 40 0 world DGABRO CC(C)(CO)[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000006883186 431322176 /nfs/dbraw/zinc/32/21/76/431322176.db2.gz OIIOZMIRGDDYJY-UHFFFAOYSA-N 1 0 303.377 3.265 40 0 DGABRO C[NH+](C)CCCNCc1ccccc1OCc1ccccc1F ZINC000008373918 431397187 /nfs/dbraw/zinc/39/71/87/431397187.db2.gz IXOMJJMEEHEEGE-UHFFFAOYSA-N 1 0 316.420 3.446 40 0 DGABRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000009876627 431447392 /nfs/dbraw/zinc/44/73/92/431447392.db2.gz YHODADAONDZXDP-SNVBAGLBSA-N 1 0 316.232 3.457 40 0 DGABRO Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000012170384 431493907 /nfs/dbraw/zinc/49/39/07/431493907.db2.gz CGTWDODYBVWANC-XJKCOSOUSA-N 1 0 311.853 3.366 40 0 DGABRO Cc1cc(C)c(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000012169966 431494088 /nfs/dbraw/zinc/49/40/88/431494088.db2.gz KNQHFBWODOQHRM-IIDMSEBBSA-N 1 0 305.462 3.329 40 0 DGABRO COc1cc(C)c2[nH]c(=O)c(C[NH2+]Cc3ccccc3)cc2c1 ZINC000013566703 431559222 /nfs/dbraw/zinc/55/92/22/431559222.db2.gz WGSOQOONNOJHOG-UHFFFAOYSA-N 1 0 308.381 3.135 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(OC)cc1 ZINC000013612611 431559292 /nfs/dbraw/zinc/55/92/92/431559292.db2.gz JNYQBTWNQBNHGO-MRXNPFEDSA-N 1 0 304.434 3.080 40 0 DGABRO CC[C@H](C[NH+]1CCCCC1)n1cncc1-c1cn(C)nc1C ZINC000019719434 431620627 /nfs/dbraw/zinc/62/06/27/431620627.db2.gz ICZGMUHDJGTPEE-OAHLLOKOSA-N 1 0 301.438 3.029 40 0 DGABRO C[NH+]1CCC(NC(=O)/C(=C/c2ccccc2)c2ccccc2)CC1 ZINC000078578767 431686109 /nfs/dbraw/zinc/68/61/09/431686109.db2.gz KQPYGSCVRPJTPL-CAPFRKAQSA-N 1 0 320.436 3.438 40 0 DGABRO COc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032461865 431779123 /nfs/dbraw/zinc/77/91/23/431779123.db2.gz MFWWDKHHTAZVJM-UHFFFAOYSA-N 1 0 324.424 3.221 40 0 DGABRO FC(F)(F)COc1ccc2ccccc2c1CN1CC[NH2+]CC1 ZINC000085392156 431839070 /nfs/dbraw/zinc/83/90/70/431839070.db2.gz LSMOFSMPNYTUGY-UHFFFAOYSA-N 1 0 324.346 3.186 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)s1 ZINC000097953570 431975349 /nfs/dbraw/zinc/97/53/49/431975349.db2.gz IZUWLZNLHGCSPZ-KFWWJZLASA-N 1 0 319.430 3.243 40 0 DGABRO CC(C)(C)OC(=O)NCC1(Cc2ccccc2F)CC[NH2+]CC1 ZINC000096029501 431934123 /nfs/dbraw/zinc/93/41/23/431934123.db2.gz ULDDNWFBCDZNFB-UHFFFAOYSA-N 1 0 322.424 3.263 40 0 DGABRO Cc1ccc(C(=O)N2CCC3(CCC[N@@H+]3CC3CC3)CC2)o1 ZINC000096049305 431935247 /nfs/dbraw/zinc/93/52/47/431935247.db2.gz BZZJWSUWPCXXGZ-UHFFFAOYSA-N 1 0 302.418 3.069 40 0 DGABRO O=C1CCC2(CC[NH+](Cc3ccco3)CC2)N1Cc1ccccc1 ZINC000096049410 431935347 /nfs/dbraw/zinc/93/53/47/431935347.db2.gz OENGPZLULLDPHZ-UHFFFAOYSA-N 1 0 324.424 3.437 40 0 DGABRO Fc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3cccnc3)C2)o1 ZINC000049170564 431936694 /nfs/dbraw/zinc/93/66/94/431936694.db2.gz FLAMIBLDDNGEEZ-AWEZNQCLSA-N 1 0 324.359 3.260 40 0 biogenic,in-vitro DGABRO O=C(c1cscn1)N1CC[C@]2(CCC[N@@H+]2CC2CCCC2)C1 ZINC000096071062 431936703 /nfs/dbraw/zinc/93/67/03/431936703.db2.gz MSLDMNNPFVFOJF-QGZVFWFLSA-N 1 0 319.474 3.014 40 0 DGABRO CCCNC(=O)[C@@H]1Cc2c[nH]c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171423 431936804 /nfs/dbraw/zinc/93/68/04/431936804.db2.gz OOONPRFMHDOUGP-IRXDYDNUSA-N 1 0 313.445 3.296 40 0 biogenic,in-vitro DGABRO CN1CCC([N@@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)CC1 ZINC000049168823 431936961 /nfs/dbraw/zinc/93/69/61/431936961.db2.gz ICBZCYZSCLQTLI-LBPRGKRZSA-N 1 0 319.836 3.365 40 0 biogenic,in-vitro DGABRO CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096056799 431936975 /nfs/dbraw/zinc/93/69/75/431936975.db2.gz HGJXULPVWFKQRR-MOPGFXCFSA-N 1 0 319.445 3.103 40 0 DGABRO Fc1ccccc1C[N@@H+]1CC[C@H](c2nnc(-c3ccco3)o2)C1 ZINC000049169485 431937010 /nfs/dbraw/zinc/93/70/10/431937010.db2.gz QERFKANMUSWSLB-ZDUSSCGKSA-N 1 0 313.332 3.458 40 0 biogenic,in-vitro DGABRO Fc1ccccc1C[N@@H+]1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000049169665 431937042 /nfs/dbraw/zinc/93/70/42/431937042.db2.gz FSFCPNRSPOTRFA-HNNXBMFYSA-N 1 0 324.359 3.260 40 0 biogenic,in-vitro DGABRO c1csc(C[N@@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000049169615 431937098 /nfs/dbraw/zinc/93/70/98/431937098.db2.gz UHZDGGHFTCZEGL-ZDUSSCGKSA-N 1 0 312.398 3.183 40 0 biogenic,in-vitro DGABRO CC(C)C[N@@H+]1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC000096113166 431938617 /nfs/dbraw/zinc/93/86/17/431938617.db2.gz IJWDAPPAWFBXSO-OAHLLOKOSA-N 1 0 317.351 3.441 40 0 biogenic,in-vitro DGABRO CO[C@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110534 431939134 /nfs/dbraw/zinc/93/91/34/431939134.db2.gz HSVAJZRWDUKAAW-PMACEKPBSA-N 1 0 317.473 3.301 40 0 DGABRO Cc1ccccc1C[N@@H+]1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21 ZINC000096244933 431943434 /nfs/dbraw/zinc/94/34/34/431943434.db2.gz NBHPFSUAVZIGRN-HKUYNNGSSA-N 1 0 321.424 3.343 40 0 DGABRO CN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000248009327 432262420 /nfs/dbraw/zinc/26/24/20/432262420.db2.gz PAPNJUCNURORGR-YJBOKZPZSA-N 1 0 322.399 3.045 40 0 DGABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCCCC1)C2 ZINC000035075021 281541656 /nfs/dbraw/zinc/54/16/56/281541656.db2.gz QHYMIDXILVIDSE-IMBTUZDBSA-N 1 0 309.494 3.455 40 0 DGABRO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257209456 432418449 /nfs/dbraw/zinc/41/84/49/432418449.db2.gz BQKZMEPUQOCHLP-HNNXBMFYSA-N 1 0 324.432 3.115 40 0 DGABRO Cc1n[nH]cc1C[N@@H+]1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257210403 432419073 /nfs/dbraw/zinc/41/90/73/432419073.db2.gz BULRPSRXZMOBNO-HNNXBMFYSA-N 1 0 306.413 3.331 40 0 DGABRO CC(C)n1nccc1C[N@@H+]1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257221684 432419611 /nfs/dbraw/zinc/41/96/11/432419611.db2.gz DQCKBVKRGZPLCB-OAHLLOKOSA-N 1 0 324.432 3.115 40 0 DGABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)c2cc(F)ccc21 ZINC000257227303 432420762 /nfs/dbraw/zinc/42/07/62/432420762.db2.gz FOPRZTJUQSNVAU-CQSZACIVSA-N 1 0 324.403 3.487 40 0 DGABRO CCCCn1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257250315 432421772 /nfs/dbraw/zinc/42/17/72/432421772.db2.gz JMAHIDKXNMJZMK-INIZCTEOSA-N 1 0 315.465 3.403 40 0 DGABRO Cc1cc(C)nc([C@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257254371 432421971 /nfs/dbraw/zinc/42/19/71/432421971.db2.gz KCTPXKRPXXXRFD-SFHVURJKSA-N 1 0 321.424 3.359 40 0 DGABRO CC[C@H](Oc1ccccc1C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000176330029 432512082 /nfs/dbraw/zinc/51/20/82/432512082.db2.gz PDNNUUHDHBLZQR-KRWDZBQOSA-N 1 0 318.461 3.001 40 0 DGABRO COc1cccc(C=O)c1OCCCC[NH+]1CCC(C)CC1 ZINC000217792490 432657293 /nfs/dbraw/zinc/65/72/93/432657293.db2.gz DQCZRICOSKHKFK-UHFFFAOYSA-N 1 0 305.418 3.399 40 0 DGABRO Cc1cccnc1NC(=S)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000225731624 432695263 /nfs/dbraw/zinc/69/52/63/432695263.db2.gz HTBMTWOFDIBXIQ-KBPBESRZSA-N 1 0 320.506 3.044 40 0 DGABRO Cc1ccnc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000225731881 432695313 /nfs/dbraw/zinc/69/53/13/432695313.db2.gz WWCCZCPJWVTTJE-HUUCEWRRSA-N 1 0 320.506 3.044 40 0 DGABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225729964 432695946 /nfs/dbraw/zinc/69/59/46/432695946.db2.gz GGOHBTURBXHJIY-GOSISDBHSA-N 1 0 322.449 3.161 40 0 DGABRO Cc1cccnc1NC(=S)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000225731595 432696009 /nfs/dbraw/zinc/69/60/09/432696009.db2.gz HTBMTWOFDIBXIQ-ZIAGYGMSSA-N 1 0 320.506 3.044 40 0 DGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc(F)cc2)C1 ZINC000225727750 432696220 /nfs/dbraw/zinc/69/62/20/432696220.db2.gz PUGLPAVARNALLA-OKILXGFUSA-N 1 0 323.481 3.480 40 0 DGABRO CCC1(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000363359828 434027744 /nfs/dbraw/zinc/02/77/44/434027744.db2.gz YUGGRJMCTRWFKK-UHFFFAOYSA-N 1 0 300.446 3.300 40 0 DGABRO CC(C)Nc1nc(NCc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000328977862 434335081 /nfs/dbraw/zinc/33/50/81/434335081.db2.gz FWOXHGXIYMEWAD-UHFFFAOYSA-N 1 0 316.836 3.284 40 0 DGABRO CNc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(C2CC2)[nH+]1 ZINC000328970373 434336126 /nfs/dbraw/zinc/33/61/26/434336126.db2.gz DKICPMNSBWGKSI-GFCCVEGCSA-N 1 0 324.428 3.012 40 0 DGABRO CNc1cc(N2CCc3cc(OC)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329007573 434338772 /nfs/dbraw/zinc/33/87/72/434338772.db2.gz LKWLEQVHEYKSAO-UHFFFAOYSA-N 1 0 312.417 3.213 40 0 DGABRO c1nc(Nc2cnc([C@H]3CCC[NH2+]3)cn2)sc1-c1ccccc1 ZINC000585263137 435292572 /nfs/dbraw/zinc/29/25/72/435292572.db2.gz OGCVODUHQDTBIX-CYBMUJFWSA-N 1 0 323.425 3.768 40 0 DGABRO Nc1c[nH+]ccc1N1CCN(c2cccc3ccccc32)CC1 ZINC000001729499 331467444 /nfs/dbraw/zinc/46/74/44/331467444.db2.gz QXWFYXOYZJRUQB-UHFFFAOYSA-N 1 0 304.397 3.144 40 0 DGABRO CN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000585100642 547024740 /nfs/dbraw/zinc/02/47/40/547024740.db2.gz RKOWQUCUQMNJBB-FQEVSTJZSA-N 1 0 312.457 3.152 40 0 DGABRO CCCC[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2cncs2)CC1 ZINC000585100489 547024853 /nfs/dbraw/zinc/02/48/53/547024853.db2.gz LFXAFCKPDJBALY-QGZVFWFLSA-N 1 0 321.490 3.290 40 0 DGABRO O=C1CC[C@]2(CCC[N@H+](CC3CCCCC3)CC2)N1CCF ZINC000585100025 547024865 /nfs/dbraw/zinc/02/48/65/547024865.db2.gz CMUHPNIGYHKJDI-SFHVURJKSA-N 1 0 310.457 3.383 40 0 DGABRO Fc1cc(C(F)(F)F)ccc1-c1noc(C2CC[NH2+]CC2)n1 ZINC000199783295 563914484 /nfs/dbraw/zinc/91/44/84/563914484.db2.gz VNCAFHQXBWSBCF-UHFFFAOYSA-N 1 0 315.270 3.362 40 0 DGABRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1)C1CCC1 ZINC000027698458 656397037 /nfs/dbraw/zinc/39/70/37/656397037.db2.gz JVGCEKQOWXTKBF-YQQQUEKLSA-N 1 0 312.457 3.141 40 0 DGABRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000072203777 191075779 /nfs/dbraw/zinc/07/57/79/191075779.db2.gz RJJBZKVBRLYUMB-LSDHHAIUSA-N 1 0 319.449 3.379 40 0 DGABRO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072355532 191130321 /nfs/dbraw/zinc/13/03/21/191130321.db2.gz MSHQVZGRKMRHIR-OAHLLOKOSA-N 1 0 313.449 3.374 40 0 DGABRO C[N@@H+]1CCC[C@@H](c2cnc(NCc3cccc(F)c3)cn2)C1 ZINC000072365088 191134695 /nfs/dbraw/zinc/13/46/95/191134695.db2.gz DVORBGXVFQCSKA-CQSZACIVSA-N 1 0 300.381 3.037 40 0 DGABRO Cn1ccnc1C[N@@H+]1CC[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000072368076 191136284 /nfs/dbraw/zinc/13/62/84/191136284.db2.gz BZTWMVPVOKDBMO-HNNXBMFYSA-N 1 0 306.413 3.033 40 0 DGABRO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@H+]3C(C)C)n2)n1 ZINC000072376224 191139578 /nfs/dbraw/zinc/13/95/78/191139578.db2.gz PXPTVGQDISUUTP-OAHLLOKOSA-N 1 0 312.421 3.172 40 0 DGABRO Cc1ccccc1-c1noc([C@@H]2CC[N@H+](Cc3ccncc3)C2)n1 ZINC000072369935 191139605 /nfs/dbraw/zinc/13/96/05/191139605.db2.gz FMXKRAWFBGNUCN-MRXNPFEDSA-N 1 0 320.396 3.430 40 0 DGABRO c1cnc2[nH]c(C3CC3)c(CN3CC[N@@H+]4CCCC[C@@H]4C3)c2c1 ZINC000072393362 191149518 /nfs/dbraw/zinc/14/95/18/191149518.db2.gz YDDXBZPYKLEQPH-OAHLLOKOSA-N 1 0 310.445 3.110 40 0 DGABRO Cc1ccccc1C[N@@H+]1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@H]21 ZINC000107249649 432029132 /nfs/dbraw/zinc/02/91/32/432029132.db2.gz NBHPFSUAVZIGRN-PKOBYXMFSA-N 1 0 321.424 3.343 40 0 DGABRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000072727880 191223671 /nfs/dbraw/zinc/22/36/71/191223671.db2.gz VWKHXJLRUHCJJI-LLVKDONJSA-N 1 0 312.866 3.031 40 0 DGABRO COc1ccc(C[NH2+]Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000004160545 181079551 /nfs/dbraw/zinc/07/95/51/181079551.db2.gz MBMCQTRXNSJNSL-UHFFFAOYSA-N 1 0 322.408 3.443 40 0 DGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)s1 ZINC000107731377 432038845 /nfs/dbraw/zinc/03/88/45/432038845.db2.gz VVCOFBDMQNUGCT-WBVHZDCISA-N 1 0 317.458 3.249 40 0 DGABRO COCc1cc(C[C@@H]2C[C@H]([NH2+]Cc3ccco3)C2(C)C)no1 ZINC000067889876 432045510 /nfs/dbraw/zinc/04/55/10/432045510.db2.gz NEYBNJMHGGJKBW-WBMJQRKESA-N 1 0 304.390 3.161 40 0 biogenic,in-vitro DGABRO COC(=O)Cn1c(C)c(/C=C/c2cc[n+](C)cc2)c2ccccc21 ZINC000004932942 181174802 /nfs/dbraw/zinc/17/48/02/181174802.db2.gz LRTXUKRRTLYVBH-UHFFFAOYSA-N 1 0 321.400 3.118 40 0 DGABRO CSc1ccc(C[NH2+]CCCSc2ncccn2)cc1 ZINC000004984181 181184418 /nfs/dbraw/zinc/18/44/18/181184418.db2.gz CUCVOXYNUHMTIJ-UHFFFAOYSA-N 1 0 305.472 3.471 40 0 DGABRO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000006500838 181346801 /nfs/dbraw/zinc/34/68/01/181346801.db2.gz IVCXCGOXNLBOKU-IBGZPJMESA-N 1 0 311.425 3.101 40 0 DGABRO COc1ccccc1NC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000195529539 201398830 /nfs/dbraw/zinc/39/88/30/201398830.db2.gz LRKHIOSVJRAHJW-KFWWJZLASA-N 1 0 319.449 3.183 40 0 DGABRO [NH3+]CCc1c2cc(Br)ccc2[nH]c1-c1ccncc1 ZINC000006732129 181379078 /nfs/dbraw/zinc/37/90/78/181379078.db2.gz BYHUOXITUFFFLE-UHFFFAOYSA-N 1 0 316.202 3.494 40 0 DGABRO c1ccc(N2CCCC2)c(C[NH+]2CCC(c3cnccn3)CC2)c1 ZINC000257300116 203026079 /nfs/dbraw/zinc/02/60/79/203026079.db2.gz RSYLYNRISDKZTM-UHFFFAOYSA-N 1 0 322.456 3.456 40 0 DGABRO Cc1cnc(C2(C)CC[NH+](Cc3cnc(C)cn3)CC2)s1 ZINC000257302384 203028707 /nfs/dbraw/zinc/02/87/07/203028707.db2.gz SCSMWFMIEFQHLB-UHFFFAOYSA-N 1 0 302.447 3.104 40 0 DGABRO Cc1ccccc1CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)ccn1 ZINC000257310142 203034987 /nfs/dbraw/zinc/03/49/87/203034987.db2.gz UDVMGAODCFWCPS-LJQANCHMSA-N 1 0 323.440 3.429 40 0 DGABRO CN(C)Cc1ccnc([C@@H]2CCC[N@@H+]2C2CCCCCC2)n1 ZINC000257309594 203035188 /nfs/dbraw/zinc/03/51/88/203035188.db2.gz UBNGBKFGVSBJFH-KRWDZBQOSA-N 1 0 302.466 3.398 40 0 DGABRO O=C1OC2(CN1c1cccc(C3CC[NH2+]CC3)n1)CCCCC2 ZINC000257281603 203010757 /nfs/dbraw/zinc/01/07/57/203010757.db2.gz OQCFXRRSWMIPQF-UHFFFAOYSA-N 1 0 315.417 3.208 40 0 DGABRO CNc1cncc([C@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257294108 203019040 /nfs/dbraw/zinc/01/90/40/203019040.db2.gz QSMCMTHDQQBHFG-QGZVFWFLSA-N 1 0 307.401 3.337 40 0 DGABRO Cc1ccc(CN2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)s1 ZINC000257336988 203057792 /nfs/dbraw/zinc/05/77/92/203057792.db2.gz YQXJQEMCDREPDO-MRXNPFEDSA-N 1 0 316.474 3.245 40 0 DGABRO C[NH2+]CCCNCc1ccc(OCc2cccs2)c(OC)c1 ZINC000007523941 181472178 /nfs/dbraw/zinc/47/21/78/181472178.db2.gz ACCSERDWRXUBCX-UHFFFAOYSA-N 1 0 320.458 3.035 40 0 DGABRO Cc1ccc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1C ZINC000019214014 182107666 /nfs/dbraw/zinc/10/76/66/182107666.db2.gz QDJOSCBNVODECI-LJQANCHMSA-N 1 0 322.456 3.076 40 0 DGABRO c1cnc(-c2nnc([C@H]3CCC[N@H+]3CC3CCCCC3)o2)cn1 ZINC000019403868 182121855 /nfs/dbraw/zinc/12/18/55/182121855.db2.gz XXBAKYDBKFBRMJ-OAHLLOKOSA-N 1 0 313.405 3.244 40 0 DGABRO CCC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2C ZINC000019498867 182125688 /nfs/dbraw/zinc/12/56/88/182125688.db2.gz CHLCDXZFVUKRQT-SCTDSRPQSA-N 1 0 318.436 3.405 40 0 DGABRO CCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2C ZINC000019498869 182126152 /nfs/dbraw/zinc/12/61/52/182126152.db2.gz XTALPJMFSLEXPA-ZHALLVOQSA-N 1 0 300.446 3.265 40 0 DGABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccccn1)Cc1cccc(C)n1 ZINC000019527159 182128513 /nfs/dbraw/zinc/12/85/13/182128513.db2.gz ZOWGRWZPCTZBBJ-HXUWFJFHSA-N 1 0 324.472 3.272 40 0 DGABRO COc1ccc(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)cc1 ZINC000019555006 182130213 /nfs/dbraw/zinc/13/02/13/182130213.db2.gz IUPBIIKVLFIVFN-UHFFFAOYSA-N 1 0 322.412 3.346 40 0 DGABRO Cc1cc(C)c2c(N[C@H]3CC[N@H+](Cc4ccccc4)C3)n[nH]c2n1 ZINC000019657292 182135539 /nfs/dbraw/zinc/13/55/39/182135539.db2.gz CVWGGTHKBKDURY-INIZCTEOSA-N 1 0 321.428 3.261 40 0 DGABRO COCCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2ncccc23)cc1 ZINC000019593672 182133279 /nfs/dbraw/zinc/13/32/79/182133279.db2.gz WNDZPERPKXUNAX-OXJNMPFZSA-N 1 0 324.424 3.369 40 0 DGABRO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000019796207 182150877 /nfs/dbraw/zinc/15/08/77/182150877.db2.gz BJJBEYFFWYLMAJ-NSHDSACASA-N 1 0 304.312 3.230 40 0 DGABRO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000019796205 182151086 /nfs/dbraw/zinc/15/10/86/182151086.db2.gz BJJBEYFFWYLMAJ-LLVKDONJSA-N 1 0 304.312 3.230 40 0 DGABRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000020108775 182187706 /nfs/dbraw/zinc/18/77/06/182187706.db2.gz QFYBAFMZMXFLSU-AWEZNQCLSA-N 1 0 324.852 3.100 40 0 DGABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[NH+]1CCCC1 ZINC000020482635 182222981 /nfs/dbraw/zinc/22/29/81/182222981.db2.gz UCAGWWVZUSVSOA-SFHVURJKSA-N 1 0 318.461 3.063 40 0 DGABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000020486170 182222993 /nfs/dbraw/zinc/22/29/93/182222993.db2.gz OFFCDIRKODXGDY-GOSISDBHSA-N 1 0 318.461 3.145 40 0 DGABRO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000037009936 182860515 /nfs/dbraw/zinc/86/05/15/182860515.db2.gz OAJZPNFYMVCEGG-UHFFFAOYSA-N 1 0 306.715 3.297 40 0 DGABRO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832932 183010928 /nfs/dbraw/zinc/01/09/28/183010928.db2.gz AFKMWXGXCLHLOQ-FQEVSTJZSA-N 1 0 322.452 3.258 40 0 DGABRO Cc1ccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000044080794 183394027 /nfs/dbraw/zinc/39/40/27/183394027.db2.gz JMMNMIWRNGHKBC-OAHLLOKOSA-N 1 0 305.491 3.403 40 0 DGABRO C[N@H+]1Cc2cnn(CC3CCCC3)c2[C@@H](COCC2CC2)C1 ZINC000105134929 194078069 /nfs/dbraw/zinc/07/80/69/194078069.db2.gz RQPYPJAUMAPCDD-QGZVFWFLSA-N 1 0 303.450 3.029 40 0 DGABRO COc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1 ZINC000061246998 184166904 /nfs/dbraw/zinc/16/69/04/184166904.db2.gz FHEHEBCXJYZLHD-UHFFFAOYSA-N 1 0 321.490 3.248 40 0 DGABRO C[NH+]1CCC(CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000156318065 197104448 /nfs/dbraw/zinc/10/44/48/197104448.db2.gz JQXFGFTUJZMEAN-UHFFFAOYSA-N 1 0 302.462 3.446 40 0 DGABRO Cc1nc(N2CCOCC2)ccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072219629 257124486 /nfs/dbraw/zinc/12/44/86/257124486.db2.gz HZWYXXVMIJRDQH-QGZVFWFLSA-N 1 0 303.450 3.020 40 0 DGABRO Cc1cc(N(C)C)ncc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072218688 257124554 /nfs/dbraw/zinc/12/45/54/257124554.db2.gz RKAONRHFZFNWLY-QGZVFWFLSA-N 1 0 309.413 3.433 40 0 DGABRO C[C@@H]1CN([C@H](C[NH3+])c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000020549078 257130264 /nfs/dbraw/zinc/13/02/64/257130264.db2.gz XFLUILIYAOXTNV-ISTVAULSSA-N 1 0 303.233 3.102 40 0 DGABRO CC(C)[C@@H]([NH3+])c1nnc2ccc(-c3ccc(Cl)cc3)nn21 ZINC000217564962 257131631 /nfs/dbraw/zinc/13/16/31/257131631.db2.gz KLIRRSWHSMOOTP-CQSZACIVSA-N 1 0 301.781 3.101 40 0 DGABRO C[C@@H]([NH3+])c1nnc2ccc(-c3ccc(Cl)cc3Cl)nn21 ZINC000217554471 257131857 /nfs/dbraw/zinc/13/18/57/257131857.db2.gz UDGFLLCZFMAUOF-SSDOTTSWSA-N 1 0 308.172 3.118 40 0 DGABRO Cc1cccc(C(=O)N2CC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000238950375 257213163 /nfs/dbraw/zinc/21/31/63/257213163.db2.gz WVOGJFTUZBTRMU-HXUWFJFHSA-N 1 0 320.436 3.268 40 0 DGABRO O=C(c1cccc(F)c1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238852245 257213495 /nfs/dbraw/zinc/21/34/95/257213495.db2.gz JOIIEZKZAIBFON-LJQANCHMSA-N 1 0 324.399 3.099 40 0 DGABRO Cc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c(C)c1 ZINC000228934029 257214586 /nfs/dbraw/zinc/21/45/86/257214586.db2.gz HHUUCRMMVKZYBP-UHFFFAOYSA-N 1 0 322.416 3.111 40 0 DGABRO c1coc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)c1 ZINC000585105190 400125595 /nfs/dbraw/zinc/12/55/95/400125595.db2.gz PUSPZYFPGUQSSX-KRWDZBQOSA-N 1 0 319.445 3.467 40 0 DGABRO Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(C2C[NH2+]C2)n1 ZINC000585263450 400129933 /nfs/dbraw/zinc/12/99/33/400129933.db2.gz ZRLMHQRTWIBSHM-UHFFFAOYSA-N 1 0 323.425 3.339 40 0 DGABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc2ncccc21 ZINC000019712143 400185944 /nfs/dbraw/zinc/18/59/44/400185944.db2.gz QGRJICRPMQZYSB-RBUKOAKNSA-N 1 0 323.440 3.324 40 0 DGABRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cc1 ZINC000585289717 400132101 /nfs/dbraw/zinc/13/21/01/400132101.db2.gz VYWXCNZKYVKGKI-XUVXKRRUSA-N 1 0 311.425 3.446 40 0 DGABRO O=C(c1ccc2ncccc2c1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313339017 400135686 /nfs/dbraw/zinc/13/56/86/400135686.db2.gz DWKMXMIFOOBWIG-IBGZPJMESA-N 1 0 317.392 3.022 40 0 DGABRO COc1ccc(C[NH2+]CCc2cc(OC)ccc2OC)cc1 ZINC000032186046 400360900 /nfs/dbraw/zinc/36/09/00/400360900.db2.gz RIQSJIKRFRLJRV-UHFFFAOYSA-N 1 0 301.386 3.045 40 0 in-vitro DGABRO COc1ccc(C(=O)[C@H]2SC(=[NH2+])N[C@H]2c2ccccc2)cc1 ZINC000003019702 286290895 /nfs/dbraw/zinc/29/08/95/286290895.db2.gz ZCHDLPRNEZDIPX-HOCLYGCPSA-N 1 0 312.394 3.049 40 0 DGABRO COc1ccc2nc3n(c2c1)[C@@H](C[NH2+]C1CCCCC1)COC3 ZINC000096112625 274143878 /nfs/dbraw/zinc/14/38/78/274143878.db2.gz KXYGXQKVUBKGSQ-AWEZNQCLSA-N 1 0 315.417 3.039 40 0 biogenic,in-vitro DGABRO [NH3+]C[C@@H]1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1 ZINC000022048561 274950242 /nfs/dbraw/zinc/95/02/42/274950242.db2.gz LSQOUBKWMBDIPL-LLVKDONJSA-N 1 0 303.768 3.069 40 0 in-vitro DGABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1nccc2ccccc21 ZINC000257274539 277070789 /nfs/dbraw/zinc/07/07/89/277070789.db2.gz NLMLFBSEYSOVDD-PXNSSMCTSA-N 1 0 323.440 3.324 40 0 DGABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@]1(CCC2)COCC[NH2+]1 ZINC000306145675 277204737 /nfs/dbraw/zinc/20/47/37/277204737.db2.gz NDUHNNGSECMSAW-SFHVURJKSA-N 1 0 318.417 3.185 40 0 DGABRO COc1ccc(C(=O)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000000323997 431164343 /nfs/dbraw/zinc/16/43/43/431164343.db2.gz MPUKFTXHMOXQKO-UHFFFAOYSA-N 1 0 305.418 3.443 40 0 DGABRO CC(=O)n1cc(CC[NH3+])c2cc(OCc3ccccc3)ccc21 ZINC000002572384 431257786 /nfs/dbraw/zinc/25/77/86/431257786.db2.gz JZUGRANAANIGFF-UHFFFAOYSA-N 1 0 308.381 3.382 40 0 DGABRO CC(C)[C@](CC[N@@H+]1CCCC1(C)C)(C(N)=O)c1ccccc1 ZINC000001655400 431232352 /nfs/dbraw/zinc/23/23/52/431232352.db2.gz LIKKWSOVYMHVCH-IBGZPJMESA-N 1 0 302.462 3.330 40 0 DGABRO CC(=O)OCC[NH+](CCc1ccccc1)CCc1ccccc1 ZINC000001676422 431236277 /nfs/dbraw/zinc/23/62/77/431236277.db2.gz GCKZCNWELASVAE-UHFFFAOYSA-N 1 0 311.425 3.337 40 0 DGABRO COc1cc(CC[C@H]([NH3+])c2cccc(O)c2)cc(OC)c1OC ZINC000002048269 431245597 /nfs/dbraw/zinc/24/55/97/431245597.db2.gz BEBIZWHEBNNDHM-HNNXBMFYSA-N 1 0 317.385 3.051 40 0 DGABRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)c(F)c2)[C@H]([NH3+])C1 ZINC000071790651 431286407 /nfs/dbraw/zinc/28/64/07/431286407.db2.gz SHDNLRJVAIEXBN-BXUZGUMPSA-N 1 0 312.360 3.017 40 0 DGABRO CC(C)[N@@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000072352558 431334583 /nfs/dbraw/zinc/33/45/83/431334583.db2.gz WVOFRTHJJPNJRE-LBPRGKRZSA-N 1 0 317.458 3.196 40 0 DGABRO CCc1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1 ZINC000007369659 431343859 /nfs/dbraw/zinc/34/38/59/431343859.db2.gz QREWTDWMGYXCDU-UHFFFAOYSA-N 1 0 305.491 3.411 40 0 DGABRO CCOc1c(C[NH2+]CCc2ccc(OC)cc2)cccc1OC ZINC000008253469 431386761 /nfs/dbraw/zinc/38/67/61/431386761.db2.gz HLYJKPDATFTQPR-UHFFFAOYSA-N 1 0 315.413 3.435 40 0 DGABRO C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000008535067 431399286 /nfs/dbraw/zinc/39/92/86/431399286.db2.gz VSTUUGBYVXJIAQ-CYBMUJFWSA-N 1 0 305.805 3.389 40 0 DGABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COC23CC4CC(CC(C4)C2)C3)C1 ZINC000010434620 431459036 /nfs/dbraw/zinc/45/90/36/431459036.db2.gz VPFMQNLGAWHOPI-FGMWCOEWSA-N 1 0 321.505 3.311 40 0 DGABRO CC(C)(C)c1[nH]c2ncccc2c1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000012219882 431496114 /nfs/dbraw/zinc/49/61/14/431496114.db2.gz WWQKBIWAJIGZDD-CYBMUJFWSA-N 1 0 301.434 3.065 40 0 DGABRO C[C@H]1C[C@H](C)C[NH+](Cc2nc(-c3cccnc3Cl)no2)C1 ZINC000012239384 431496471 /nfs/dbraw/zinc/49/64/71/431496471.db2.gz GRQQYLLOZJIVLI-QWRGUYRKSA-N 1 0 306.797 3.263 40 0 DGABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000012239823 431498232 /nfs/dbraw/zinc/49/82/32/431498232.db2.gz QSPPFDFBIDWRDF-KRWDZBQOSA-N 1 0 318.436 3.238 40 0 DGABRO COc1ccccc1C[NH2+]Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013998814 431574827 /nfs/dbraw/zinc/57/48/27/431574827.db2.gz UAERAPUCOJFTRK-UHFFFAOYSA-N 1 0 308.381 3.135 40 0 DGABRO O=C1N[C@@]2(CC[N@H+](CC3CCCCC3)C2)CCc2ccccc21 ZINC000019375224 431619844 /nfs/dbraw/zinc/61/98/44/431619844.db2.gz WJROMKHAXIPRGI-HXUWFJFHSA-N 1 0 312.457 3.387 40 0 DGABRO Fc1ccccc1CN1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000022575349 431635611 /nfs/dbraw/zinc/63/56/11/431635611.db2.gz MPKNCPVSEPNVPJ-JZXOWHBKSA-N 1 0 300.421 3.156 40 0 DGABRO Cc1cc(NC(=O)[C@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000082336170 431804172 /nfs/dbraw/zinc/80/41/72/431804172.db2.gz ARHAVZRSFSXCLQ-NSHDSACASA-N 1 0 311.223 3.038 40 0 DGABRO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000082336169 431804925 /nfs/dbraw/zinc/80/49/25/431804925.db2.gz ARHAVZRSFSXCLQ-LLVKDONJSA-N 1 0 311.223 3.038 40 0 DGABRO COc1ccc(C[N@H+]2Cc3cc4c(cc3[C@H](O)C2)CCC4)cc1 ZINC000095470457 431926671 /nfs/dbraw/zinc/92/66/71/431926671.db2.gz BMPYXBWTVXCMFX-HXUWFJFHSA-N 1 0 309.409 3.233 40 0 DGABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(Cc2cccc(F)c2)CC1 ZINC000096029498 431934530 /nfs/dbraw/zinc/93/45/30/431934530.db2.gz ZYVKHKDKESMFBF-UHFFFAOYSA-N 1 0 322.424 3.344 40 0 DGABRO c1cncc(COC[C@]23CCCO[C@H]2CC[N@@H+](C2CCC2)C3)c1 ZINC000096040151 431934776 /nfs/dbraw/zinc/93/47/76/431934776.db2.gz ZBFGURHVZVHBQB-RBUKOAKNSA-N 1 0 316.445 3.022 40 0 DGABRO O=C(c1cccs1)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC000096047029 431934865 /nfs/dbraw/zinc/93/48/65/431934865.db2.gz NUJKJYXWPORSIH-QGZVFWFLSA-N 1 0 304.459 3.086 40 0 DGABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096047500 431935007 /nfs/dbraw/zinc/93/50/07/431935007.db2.gz WBJJLSPIWNQYGC-GOSISDBHSA-N 1 0 304.409 3.193 40 0 DGABRO O=C(c1cccs1)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000096047304 431935253 /nfs/dbraw/zinc/93/52/53/431935253.db2.gz BILIBUDYJJDSGP-UHFFFAOYSA-N 1 0 318.486 3.476 40 0 DGABRO Cn1cc([C@@H]2COC3(C2)CC[NH+](Cc2ccsc2)CC3)cn1 ZINC000096047791 431935753 /nfs/dbraw/zinc/93/57/53/431935753.db2.gz NASVUBBNQQPRPN-HNNXBMFYSA-N 1 0 317.458 3.020 40 0 DGABRO c1csc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096047144 431936019 /nfs/dbraw/zinc/93/60/19/431936019.db2.gz GYKZWRDUHCVUNX-KRWDZBQOSA-N 1 0 314.458 3.031 40 0 DGABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccoc3)C[C@H]12 ZINC000096058445 431937136 /nfs/dbraw/zinc/93/71/36/431937136.db2.gz PETNXQAXLXPEDC-VQTJNVASSA-N 1 0 324.424 3.044 40 0 DGABRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(F)cc3)O2)n1 ZINC000096057355 431937279 /nfs/dbraw/zinc/93/72/79/431937279.db2.gz HFTOFNUXXXQSAF-OAGGEKHMSA-N 1 0 317.364 3.012 40 0 DGABRO CCCc1nnc([C@H]2CC[N@H+](Cc3ccc(OC)cc3)C2)o1 ZINC000049170267 431937379 /nfs/dbraw/zinc/93/73/79/431937379.db2.gz OHOCCLAHNQHKJC-AWEZNQCLSA-N 1 0 301.390 3.020 40 0 biogenic,in-vitro DGABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169706 431937540 /nfs/dbraw/zinc/93/75/40/431937540.db2.gz ATRQEGREZCUSLZ-KRWDZBQOSA-N 1 0 320.396 3.430 40 0 biogenic,in-vitro DGABRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccoc3)C2)C1=O ZINC000096100297 431937583 /nfs/dbraw/zinc/93/75/83/431937583.db2.gz LZQLLFRNPORNGT-FQEVSTJZSA-N 1 0 324.424 3.426 40 0 DGABRO C[NH+](C)[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 ZINC000096079172 431937676 /nfs/dbraw/zinc/93/76/76/431937676.db2.gz QOUUJTNXOHVZQR-KRWDZBQOSA-N 1 0 308.429 3.021 40 0 DGABRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000096100279 431937908 /nfs/dbraw/zinc/93/79/08/431937908.db2.gz IIGPUBGFLMPJLK-SFHVURJKSA-N 1 0 324.424 3.118 40 0 DGABRO Cc1ccc(CN2CC[C@@]3(c4ccccc4)CC[N@@H+](C)[C@@H]3C2)o1 ZINC000096100378 431938043 /nfs/dbraw/zinc/93/80/43/431938043.db2.gz KPSAMBPHSBLLJS-WOJBJXKFSA-N 1 0 310.441 3.436 40 0 DGABRO Cc1nc(CN2CCC23CC[NH+](Cc2ccco2)CC3)cs1 ZINC000096077987 431938196 /nfs/dbraw/zinc/93/81/96/431938196.db2.gz OJGBNSCYLAYFCP-UHFFFAOYSA-N 1 0 317.458 3.285 40 0 DGABRO Fc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCCCC2)COC1 ZINC000096112723 431939103 /nfs/dbraw/zinc/93/91/03/431939103.db2.gz JJASPKMHRCDRQN-AWEZNQCLSA-N 1 0 303.381 3.169 40 0 biogenic,in-vitro DGABRO c1csc(CN2Cc3nccn3C[C@H](COCC3CC3)C2)c1 ZINC000096187876 431941833 /nfs/dbraw/zinc/94/18/33/431941833.db2.gz STXIPLQUPWLERZ-OAHLLOKOSA-N 1 0 317.458 3.003 40 0 DGABRO CC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096215505 431942075 /nfs/dbraw/zinc/94/20/75/431942075.db2.gz MDTGNPJNVQHEEI-QGZVFWFLSA-N 1 0 324.827 3.314 40 0 DGABRO CCC(=O)N1CCC2(C[C@H]([NH+](C)C)c3ccc(C)cc32)CC1 ZINC000096241749 431942445 /nfs/dbraw/zinc/94/24/45/431942445.db2.gz QQZYMTISPINUMW-KRWDZBQOSA-N 1 0 300.446 3.272 40 0 DGABRO CCOC[C@@H]1CC2(CO1)CC[NH+](CCc1ccccc1)CC2 ZINC000096206253 431942770 /nfs/dbraw/zinc/94/27/70/431942770.db2.gz DSOHXJPEFVLEHR-SFHVURJKSA-N 1 0 303.446 3.137 40 0 DGABRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216932 431943195 /nfs/dbraw/zinc/94/31/95/431943195.db2.gz NCOUIDAYEMYHRY-FQEVSTJZSA-N 1 0 322.456 3.278 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)o1 ZINC000096249228 431944150 /nfs/dbraw/zinc/94/41/50/431944150.db2.gz GXHKPNLWTZSUHT-ZBFHGGJFSA-N 1 0 317.458 3.141 40 0 DGABRO FC(F)(F)c1cccc(-c2ccc(N3CC[NH2+]CC3)nc2)c1 ZINC000049917066 431944388 /nfs/dbraw/zinc/94/43/88/431944388.db2.gz UQDMUQWHCOMEPU-UHFFFAOYSA-N 1 0 307.319 3.177 40 0 DGABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2cccc(F)c2)CC1 ZINC000098213879 431980514 /nfs/dbraw/zinc/98/05/14/431980514.db2.gz HAZRUHWDZMKKQF-UHFFFAOYSA-N 1 0 308.397 3.053 40 0 DGABRO CC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000248215368 432275316 /nfs/dbraw/zinc/27/53/16/432275316.db2.gz FZCHYRPQSNRAQW-KDOFPFPSSA-N 1 0 304.409 3.049 40 0 DGABRO Cn1cncc1C[N@@H+]1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257212879 432417632 /nfs/dbraw/zinc/41/76/32/432417632.db2.gz CFHNTRVYKONZPD-OAHLLOKOSA-N 1 0 306.413 3.033 40 0 DGABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)n1 ZINC000257220431 432418472 /nfs/dbraw/zinc/41/84/72/432418472.db2.gz DKVCBFCYIGTKKN-KRWDZBQOSA-N 1 0 310.445 3.308 40 0 DGABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257206640 432418900 /nfs/dbraw/zinc/41/89/00/432418900.db2.gz BEIVUIUTKDVQRA-KRWDZBQOSA-N 1 0 319.412 3.165 40 0 DGABRO CO[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@@]12CCCO2 ZINC000257224613 432419809 /nfs/dbraw/zinc/41/98/09/432419809.db2.gz FCODWWYUNUYQLB-OALUTQOASA-N 1 0 312.413 3.005 40 0 DGABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000257257548 432422871 /nfs/dbraw/zinc/42/28/71/432422871.db2.gz KQBOSTPEZGAJCE-LJQANCHMSA-N 1 0 315.461 3.435 40 0 DGABRO c1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H](c3ccncn3)C1)CO2 ZINC000257251697 432423154 /nfs/dbraw/zinc/42/31/54/432423154.db2.gz JRVIUOWKYYOHDP-KRWDZBQOSA-N 1 0 307.397 3.132 40 0 DGABRO c1ccc(N2CCCC2)c(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)c1 ZINC000257248849 432423327 /nfs/dbraw/zinc/42/33/27/432423327.db2.gz JFMSYOCOTBTENN-QGZVFWFLSA-N 1 0 322.456 3.456 40 0 DGABRO CN1C(=O)CCCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccnc2ccccc12 ZINC000257239349 432423519 /nfs/dbraw/zinc/42/35/19/432423519.db2.gz HOXLPXIUHFDCEI-RBUKOAKNSA-N 1 0 323.440 3.210 40 0 DGABRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc(O)cc1F ZINC000185752783 432530303 /nfs/dbraw/zinc/53/03/03/432530303.db2.gz CDQGPJCYNMCALP-UHFFFAOYSA-N 1 0 322.424 3.306 40 0 DGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2cccc(F)c2)C1 ZINC000225728391 432695496 /nfs/dbraw/zinc/69/54/96/432695496.db2.gz VDBOTHRHRAPMRI-OKILXGFUSA-N 1 0 323.481 3.480 40 0 DGABRO Cc1ccnc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225731855 432695589 /nfs/dbraw/zinc/69/55/89/432695589.db2.gz WWCCZCPJWVTTJE-GASCZTMLSA-N 1 0 320.506 3.044 40 0 DGABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(F)cc2)C1 ZINC000225735967 432695930 /nfs/dbraw/zinc/69/59/30/432695930.db2.gz UTRFZNGOVMJCFQ-CYBMUJFWSA-N 1 0 309.454 3.234 40 0 DGABRO COc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000225692607 432696187 /nfs/dbraw/zinc/69/61/87/432696187.db2.gz ZCLZVGMPFVEHRF-CYBMUJFWSA-N 1 0 324.852 3.200 40 0 DGABRO Cc1ccc(C(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Cl)c1 ZINC000225003099 432685568 /nfs/dbraw/zinc/68/55/68/432685568.db2.gz RYOGOAXTUGAWAZ-KBPBESRZSA-N 1 0 308.853 3.356 40 0 DGABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000225219711 432687620 /nfs/dbraw/zinc/68/76/20/432687620.db2.gz XIKJZCIZAXNCAY-INIZCTEOSA-N 1 0 302.462 3.368 40 0 DGABRO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000331523032 432946737 /nfs/dbraw/zinc/94/67/37/432946737.db2.gz KNVRMPUKIQNPCE-UTJXIGIESA-N 1 0 319.424 3.046 40 0 DGABRO Cc1cc(C)c2cc(C[NH2+]C3CCCCC3)c3nnnn3c2c1 ZINC000012644837 518186791 /nfs/dbraw/zinc/18/67/91/518186791.db2.gz QLEQMQHDOHKXNW-UHFFFAOYSA-N 1 0 309.417 3.317 40 0 DGABRO CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3)[NH2+]CCC[C@@H]12 ZINC000228975090 546271142 /nfs/dbraw/zinc/27/11/42/546271142.db2.gz XRRQIGUDVJTTIW-CRAIPNDOSA-N 1 0 302.418 3.275 40 0 DGABRO CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000199572962 563479424 /nfs/dbraw/zinc/47/94/24/563479424.db2.gz PLSITOMJRRPKDL-CHWSQXEVSA-N 1 0 301.217 3.335 40 0 in-vitro DGABRO Cc1nc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](C)C3)c2)oc1C ZINC000006500435 1087282748 /nfs/dbraw/zinc/28/27/48/1087282748.db2.gz OTWIXRCVXOCPEA-HNNXBMFYSA-N 1 0 313.401 3.239 40 0 DGABRO CC[C@H](C)Nc1nc(NCCc2ccccc2)cc(C2CC2)[nH+]1 ZINC000328957931 529702532 /nfs/dbraw/zinc/70/25/32/529702532.db2.gz AMFDGYDVGLFZRM-AWEZNQCLSA-N 1 0 310.445 3.063 40 0 DGABRO C/C=C1/C[N@@H+]2CC[C@]34c5ccccc5N5C(=O)CC[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000104106737 432014742 /nfs/dbraw/zinc/01/47/42/432014742.db2.gz GLXCOWMFBYYQSW-SYNXJLQBSA-N 1 0 320.436 3.104 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ncccc1C ZINC000225584808 186280256 /nfs/dbraw/zinc/28/02/56/186280256.db2.gz VEGZQYUULOPQHU-HNNXBMFYSA-N 1 0 320.506 3.331 40 0 DGABRO C[C@@H](NC(=O)CC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000072344538 191128168 /nfs/dbraw/zinc/12/81/68/191128168.db2.gz HRZXHVHVOGNQLQ-MRXNPFEDSA-N 1 0 314.473 3.246 40 0 DGABRO COCC[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358497 191130479 /nfs/dbraw/zinc/13/04/79/191130479.db2.gz XCHQKRHWJZKLBQ-HNNXBMFYSA-N 1 0 315.392 3.109 40 0 DGABRO C[N@@H+]1CCC[C@H](c2cncc(NCc3cccc(F)c3)n2)C1 ZINC000072365085 191134115 /nfs/dbraw/zinc/13/41/15/191134115.db2.gz CYCYJDNIBGFDCU-AWEZNQCLSA-N 1 0 300.381 3.037 40 0 DGABRO COCC[N@@H+]1CCC[C@@H](c2nc(C)n3c(C)c(C)sc23)C1 ZINC000072367890 191137054 /nfs/dbraw/zinc/13/70/54/191137054.db2.gz KRWZZINXSUTSAJ-CQSZACIVSA-N 1 0 307.463 3.147 40 0 DGABRO c1ccc(CCC[N@@H+]2CCC[C@@H](c3[nH]nc4nccnc43)C2)cc1 ZINC000072393831 191149229 /nfs/dbraw/zinc/14/92/29/191149229.db2.gz KJZIXWLKJNOYFJ-MRXNPFEDSA-N 1 0 321.428 3.165 40 0 DGABRO COc1ccc2cc(C[NH2+][C@@H]3CCCC[C@H]3C)c(=O)[nH]c2c1 ZINC000004130510 181077033 /nfs/dbraw/zinc/07/70/33/181077033.db2.gz XRNWYVIHEPPHAR-MLGOLLRUSA-N 1 0 300.402 3.205 40 0 DGABRO COc1ccc(C[NH2+]Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000004160540 181079897 /nfs/dbraw/zinc/07/98/97/181079897.db2.gz UWPCUUPADXTCLU-UHFFFAOYSA-N 1 0 308.381 3.135 40 0 DGABRO COCC[NH2+]CC(=O)N1c2ccccc2Sc2ccccc21 ZINC000004861356 181165151 /nfs/dbraw/zinc/16/51/51/181165151.db2.gz FEYWEWJXAKTNJQ-UHFFFAOYSA-N 1 0 314.410 3.052 40 0 DGABRO CC(C)(C)c1ccc(/C=C2\SC(=O)N(CCC[NH3+])C2=O)cc1 ZINC000073647519 191336393 /nfs/dbraw/zinc/33/63/93/191336393.db2.gz PRESLXVVZKWLTG-KAMYIIQDSA-N 1 0 318.442 3.369 40 0 DGABRO C[NH+]1CCC(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000074921025 191388476 /nfs/dbraw/zinc/38/84/76/191388476.db2.gz XIQFYLDJTWHUPY-UHFFFAOYSA-N 1 0 300.324 3.376 40 0 DGABRO Cc1ccc(C(=O)[C@@H]2C[N@H+](C)CC[C@]2(O)c2ccc(C)cc2)cc1 ZINC000005085453 181202437 /nfs/dbraw/zinc/20/24/37/181202437.db2.gz SWFNNRQTSSTAGB-FPOVZHCZSA-N 1 0 323.436 3.326 40 0 DGABRO [NH3+]Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000199826810 201425847 /nfs/dbraw/zinc/42/58/47/201425847.db2.gz XMLLKHAJYRTEMH-UHFFFAOYSA-N 1 0 310.275 3.296 40 0 DGABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1cccc2ncccc12 ZINC000257278675 203005710 /nfs/dbraw/zinc/00/57/10/203005710.db2.gz ODEIQMFSIHRUOU-WOJBJXKFSA-N 1 0 323.440 3.210 40 0 DGABRO CCCn1nccc1-c1cnc(C[C@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000257274968 203003279 /nfs/dbraw/zinc/00/32/79/203003279.db2.gz NNKWMHLCWLUXNK-OAHLLOKOSA-N 1 0 313.449 3.023 40 0 DGABRO COc1cccc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)c1F ZINC000257295876 203021932 /nfs/dbraw/zinc/02/19/32/203021932.db2.gz RAFXUOBLBSBZHR-AWEZNQCLSA-N 1 0 315.392 3.312 40 0 DGABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257310615 203033575 /nfs/dbraw/zinc/03/35/75/203033575.db2.gz UFWYMIDBFGHKRE-MRXNPFEDSA-N 1 0 319.412 3.165 40 0 DGABRO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257294107 203019719 /nfs/dbraw/zinc/01/97/19/203019719.db2.gz QSMCMTHDQQBHFG-KRWDZBQOSA-N 1 0 307.401 3.337 40 0 DGABRO c1cc(C[C@@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000257293640 203019849 /nfs/dbraw/zinc/01/98/49/203019849.db2.gz QQNASELKMJNESL-HNNXBMFYSA-N 1 0 306.413 3.413 40 0 DGABRO Cc1cnc(C[N@@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257339493 203062277 /nfs/dbraw/zinc/06/22/77/203062277.db2.gz ZBZAUJLXLRHTJZ-MRXNPFEDSA-N 1 0 318.424 3.398 40 0 DGABRO COc1cccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1OC ZINC000093563922 193268044 /nfs/dbraw/zinc/26/80/44/193268044.db2.gz GMNJVVRMSPSEDT-QGZVFWFLSA-N 1 0 318.461 3.154 40 0 DGABRO COC[C@@H]1COCCC12CC[NH+](Cc1sccc1C)CC2 ZINC000096106323 193539056 /nfs/dbraw/zinc/53/90/56/193539056.db2.gz NXOWTKWECKSILG-OAHLLOKOSA-N 1 0 309.475 3.322 40 0 DGABRO C[C@@H](Sc1ccccc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000013669845 181875640 /nfs/dbraw/zinc/87/56/40/181875640.db2.gz HDQPQUMYUFRJMQ-OAHLLOKOSA-N 1 0 306.475 3.159 40 0 DGABRO CC(=O)NC1CC[NH+](CC2(c3ccccc3F)CCCC2)CC1 ZINC000019021230 182103766 /nfs/dbraw/zinc/10/37/66/182103766.db2.gz OTWGSCNMGJYNLO-UHFFFAOYSA-N 1 0 318.436 3.238 40 0 DGABRO COc1ccc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000019359419 182119152 /nfs/dbraw/zinc/11/91/52/182119152.db2.gz VACDMCFOADTCIC-YQVWRLOYSA-N 1 0 300.446 3.001 40 0 DGABRO CCOc1ccc(C[NH2+][C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019533412 182129122 /nfs/dbraw/zinc/12/91/22/182129122.db2.gz JIXSFUNCBMVJAV-RBUKOAKNSA-N 1 0 315.388 3.497 40 0 DGABRO O=C(NCc1ccc(F)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000022516977 182324331 /nfs/dbraw/zinc/32/43/31/182324331.db2.gz MSXKHDVIAJIRAC-UHFFFAOYSA-N 1 0 312.388 3.352 40 0 DGABRO O=C(Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115157 182375949 /nfs/dbraw/zinc/37/59/49/182375949.db2.gz JTGKVIKNCKIQGL-UHFFFAOYSA-N 1 0 308.425 3.141 40 0 DGABRO COc1cc2c(Cl)ncnc2cc1OCC1CC[NH+](C)CC1 ZINC000036433295 182825758 /nfs/dbraw/zinc/82/57/58/182825758.db2.gz XAVZTXQALXOZJS-UHFFFAOYSA-N 1 0 321.808 3.012 40 0 DGABRO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCCCCC1 ZINC000039743419 183022012 /nfs/dbraw/zinc/02/20/12/183022012.db2.gz MENDJZFYALESSU-UHFFFAOYSA-N 1 0 318.436 3.440 40 0 DGABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000060322503 184146006 /nfs/dbraw/zinc/14/60/06/184146006.db2.gz QHDVLCQPBLLMGY-MRXNPFEDSA-N 1 0 302.462 3.368 40 0 DGABRO CCC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219358 257123992 /nfs/dbraw/zinc/12/39/92/257123992.db2.gz LQRABXXODMBFIZ-QGZVFWFLSA-N 1 0 303.450 3.164 40 0 DGABRO Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072219420 257124372 /nfs/dbraw/zinc/12/43/72/257124372.db2.gz VIDJGQUFTPNBTP-KRWDZBQOSA-N 1 0 303.450 3.162 40 0 DGABRO Cc1cc([C@H]2CCC[N@H+]2CC(C)C)cnc1N1CCOCC1 ZINC000072219344 257124516 /nfs/dbraw/zinc/12/45/16/257124516.db2.gz IUAHONFVGHPSKC-QGZVFWFLSA-N 1 0 303.450 3.020 40 0 DGABRO C[C@H]([NH3+])c1nnc2ccc(-c3ccc(Cl)cc3Cl)nn21 ZINC000217554544 257131374 /nfs/dbraw/zinc/13/13/74/257131374.db2.gz UDGFLLCZFMAUOF-ZETCQYMHSA-N 1 0 308.172 3.118 40 0 DGABRO O=C(c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238960350 257213240 /nfs/dbraw/zinc/21/32/40/257213240.db2.gz YKBNWJRSPMWVCU-LJQANCHMSA-N 1 0 324.399 3.099 40 0 DGABRO Cc1cccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1C ZINC000228920620 257214534 /nfs/dbraw/zinc/21/45/34/257214534.db2.gz BTVMTFCZNWYVDE-UHFFFAOYSA-N 1 0 322.416 3.111 40 0 DGABRO O=c1nc(CN2CCCCCC2)[nH]c2sc3c(c21)CCCC3 ZINC000006594029 400093632 /nfs/dbraw/zinc/09/36/32/400093632.db2.gz UITNNTDCZDXBJT-UHFFFAOYSA-N 1 0 317.458 3.239 40 0 DGABRO c1ccc(OCC[C@H]2CCOC23CC[NH+](C2CCC2)CC3)nc1 ZINC000585105256 400125996 /nfs/dbraw/zinc/12/59/96/400125996.db2.gz RPFFDTNBQMONSA-INIZCTEOSA-N 1 0 316.445 3.274 40 0 DGABRO CC(C)[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 ZINC000585109238 400126243 /nfs/dbraw/zinc/12/62/43/400126243.db2.gz DOUUFIYRCXOWIO-YESZJQIVSA-N 1 0 300.446 3.327 40 0 DGABRO Cc1ccc(OCC2(O)CC[NH+](C3CCCC3)CC2)c(C)c1 ZINC000585281664 400129887 /nfs/dbraw/zinc/12/98/87/400129887.db2.gz OJCWPHIBLPGAGP-UHFFFAOYSA-N 1 0 303.446 3.452 40 0 DGABRO N#Cc1nccc(Oc2cccc(-c3ccc(C[NH3+])cc3)c2)n1 ZINC000043152060 400455585 /nfs/dbraw/zinc/45/55/85/400455585.db2.gz RMVQVAZRAZGSTH-UHFFFAOYSA-N 1 0 302.337 3.266 40 0 DGABRO C1CCC(O[C@H]2CCCC[C@@H]2[N@@H+]2CCN[C@@H]3CCCC[C@@H]32)C1 ZINC000225714743 400960352 /nfs/dbraw/zinc/96/03/52/400960352.db2.gz ARUFQWJKFOKKNK-XWSJACJDSA-N 1 0 306.494 3.473 40 0 DGABRO CC[C@H](OC[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000253374754 401098754 /nfs/dbraw/zinc/09/87/54/401098754.db2.gz NKYWMAGCRMHOMJ-RWQQGDIJSA-N 1 0 305.462 3.493 40 0 DGABRO CC(C)[NH+]1CCC2(C=C(C(=O)NC3CC3)c3ccccc32)CC1 ZINC000096241622 273529671 /nfs/dbraw/zinc/52/96/71/273529671.db2.gz WILQNFOZKIDJJP-UHFFFAOYSA-N 1 0 310.441 3.104 40 0 DGABRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000068593201 431136948 /nfs/dbraw/zinc/13/69/48/431136948.db2.gz XCMHWWZDAXHISG-GDBMZVCRSA-N 1 0 304.434 3.422 40 0 DGABRO CN1CC[C@@]2(CCC[N@H+](Cc3ccccc3Cl)CC2)C1=O ZINC000108533211 431145299 /nfs/dbraw/zinc/14/52/99/431145299.db2.gz GAHGJNMQYSKQME-QGZVFWFLSA-N 1 0 306.837 3.174 40 0 DGABRO CN(C)C(=O)NC1CC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC000108524439 431146472 /nfs/dbraw/zinc/14/64/72/431146472.db2.gz XXMBRPAPRYJWCD-UHFFFAOYSA-N 1 0 307.482 3.083 40 0 DGABRO O=C(C[C@H](c1ccccc1)[NH+]1CCCCC1)OC[C@H]1CCCO1 ZINC000001569392 431228083 /nfs/dbraw/zinc/22/80/83/431228083.db2.gz JPWQZUQDQORRCQ-QZTJIDSGSA-N 1 0 317.429 3.326 40 0 DGABRO CC(C)C[C@](CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccccn1 ZINC000002016047 431242922 /nfs/dbraw/zinc/24/29/22/431242922.db2.gz ZZOZYGHXNQPIPS-IBGZPJMESA-N 1 0 319.493 3.360 40 0 in-man DGABRO Cc1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1C ZINC000007369654 431344659 /nfs/dbraw/zinc/34/46/59/431344659.db2.gz YXODSGLHKOPVRU-UHFFFAOYSA-N 1 0 305.491 3.466 40 0 DGABRO CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1OC ZINC000007538510 431353027 /nfs/dbraw/zinc/35/30/27/431353027.db2.gz KGQCUWKQRPXBEH-UHFFFAOYSA-N 1 0 301.386 3.392 40 0 DGABRO COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)cc1 ZINC000007538909 431353478 /nfs/dbraw/zinc/35/34/78/431353478.db2.gz SVZFMPFNBBHWHO-HNNXBMFYSA-N 1 0 315.369 3.002 40 0 DGABRO CC[C@@H](C)[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000008325874 431392237 /nfs/dbraw/zinc/39/22/37/431392237.db2.gz GPFTWELMAUCNTD-SECBINFHSA-N 1 0 302.212 3.354 40 0 DGABRO COCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000008469238 431399420 /nfs/dbraw/zinc/39/94/20/431399420.db2.gz OASDSMDHGXDJIW-UHFFFAOYSA-N 1 0 319.376 3.149 40 0 DGABRO CCCNC(=S)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000008672234 431401128 /nfs/dbraw/zinc/40/11/28/431401128.db2.gz XTBSJEMNSRKZOS-ALOPSCKCSA-N 1 0 317.502 3.056 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(OC)c1 ZINC000010543026 431464586 /nfs/dbraw/zinc/46/45/86/431464586.db2.gz KTQHYOGFMBPJIE-MRXNPFEDSA-N 1 0 304.434 3.080 40 0 DGABRO Cc1cccc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)n1 ZINC000012089310 431490465 /nfs/dbraw/zinc/49/04/65/431490465.db2.gz TYZCCWXMNMOGKD-INIZCTEOSA-N 1 0 323.396 3.135 40 0 DGABRO COc1ccc(C2CC[NH+](Cc3ccncc3)CC2)cc1OC ZINC000012113967 431491661 /nfs/dbraw/zinc/49/16/61/431491661.db2.gz CFBMOTROPCPEHB-UHFFFAOYSA-N 1 0 312.413 3.478 40 0 DGABRO COc1ccc(/C=C/C2=CC[N@H+](C)CC2)cc1Cn1cccn1 ZINC000012143037 431493146 /nfs/dbraw/zinc/49/31/46/431493146.db2.gz GJMUGZJKOKRYHP-SNAWJCMRSA-N 1 0 309.413 3.215 40 0 DGABRO CCOc1ncccc1-c1noc(C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000012234051 431496572 /nfs/dbraw/zinc/49/65/72/431496572.db2.gz OPQUXTUODYMZFD-BETUJISGSA-N 1 0 316.405 3.008 40 0 DGABRO Cc1ccc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)o1 ZINC000012183911 431496696 /nfs/dbraw/zinc/49/66/96/431496696.db2.gz XYVZLTCOLOOOOA-AWEZNQCLSA-N 1 0 312.369 3.333 40 0 DGABRO CNc1ncc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)cn1 ZINC000012361788 431502779 /nfs/dbraw/zinc/50/27/79/431502779.db2.gz BJNWXPQYCPFYDC-UHFFFAOYSA-N 1 0 302.809 3.341 40 0 DGABRO Cc1ccsc1CN(CCC[NH+](C)C)Cc1ccccn1 ZINC000013990741 431571752 /nfs/dbraw/zinc/57/17/52/431571752.db2.gz SIZFDVHSIMYDCX-UHFFFAOYSA-N 1 0 303.475 3.405 40 0 DGABRO C[C@H]1Cc2cc(C[N@H+](CCO)Cc3cccs3)ccc2O1 ZINC000013997577 431576458 /nfs/dbraw/zinc/57/64/58/431576458.db2.gz IOGZJUJPPLVYTQ-ZDUSSCGKSA-N 1 0 303.427 3.066 40 0 DGABRO CC1CCN([C@@H](C[NH3+])c2ccccc2OC(F)(F)F)CC1 ZINC000020016658 431623587 /nfs/dbraw/zinc/62/35/87/431623587.db2.gz LDSVURVHZNNSHU-ZDUSSCGKSA-N 1 0 302.340 3.317 40 0 DGABRO CC[NH+](CC)CCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000022108723 431633205 /nfs/dbraw/zinc/63/32/05/431633205.db2.gz UVPIQTZTYCDCPE-HNNXBMFYSA-N 1 0 316.445 3.431 40 0 DGABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000026781551 431678752 /nfs/dbraw/zinc/67/87/52/431678752.db2.gz BLXHPQHXJOYOKB-IIDMSEBBSA-N 1 0 303.446 3.178 40 0 DGABRO CC(=O)N1CCc2ccccc2[C@@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000031750737 431763183 /nfs/dbraw/zinc/76/31/83/431763183.db2.gz AVKSIFQMKNTASD-WOJBJXKFSA-N 1 0 306.409 3.019 40 0 DGABRO Cc1cc(C)c(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000037530309 431847925 /nfs/dbraw/zinc/84/79/25/431847925.db2.gz KNQHFBWODOQHRM-DAYGRLMNSA-N 1 0 305.462 3.329 40 0 DGABRO CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])cn1 ZINC000037593681 431848352 /nfs/dbraw/zinc/84/83/52/431848352.db2.gz UHNNGDBVHLMPFM-UHFFFAOYSA-N 1 0 323.393 3.217 40 0 DGABRO CCOc1c(C)cc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1C ZINC000095095380 431922238 /nfs/dbraw/zinc/92/22/38/431922238.db2.gz BCCGLVJDNGCDST-ZDUSSCGKSA-N 1 0 301.390 3.219 40 0 DGABRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccco4)C3)C2=O)c1 ZINC000096050560 431935216 /nfs/dbraw/zinc/93/52/16/431935216.db2.gz HBGXOYYQNHVLJF-HXUWFJFHSA-N 1 0 324.424 3.213 40 0 DGABRO O=C(c1cccs1)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC000096047030 431935695 /nfs/dbraw/zinc/93/56/95/431935695.db2.gz NUJKJYXWPORSIH-KRWDZBQOSA-N 1 0 304.459 3.086 40 0 DGABRO CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(OC)cc1)CCO2 ZINC000096051873 431935877 /nfs/dbraw/zinc/93/58/77/431935877.db2.gz KRNWIHBREPCKPX-PKOBYXMFSA-N 1 0 319.445 3.103 40 0 DGABRO CC(C)[N@@H+]1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169787 431936764 /nfs/dbraw/zinc/93/67/64/431936764.db2.gz CQJIGEISZRJJJL-ZDUSSCGKSA-N 1 0 310.401 3.339 40 0 biogenic,in-vitro DGABRO c1ccn(C[C@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2cccs2)c1 ZINC000096055343 431936996 /nfs/dbraw/zinc/93/69/96/431936996.db2.gz WMPMQDGVPGSFNJ-DJIMGWMZSA-N 1 0 302.443 3.229 40 0 DGABRO CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096056795 431937003 /nfs/dbraw/zinc/93/70/03/431937003.db2.gz DTQQCEULVMFKQV-SJORKVTESA-N 1 0 309.475 3.464 40 0 DGABRO CO[C@H]1CC[N@H+](Cc2cc(C)on2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110533 431938698 /nfs/dbraw/zinc/93/86/98/431938698.db2.gz WCNYORMTRWCLFX-HKUYNNGSSA-N 1 0 314.429 3.371 40 0 DGABRO c1cc(C[NH+]2CCC3(C[C@@H](OCC4CCC4)CO3)CC2)co1 ZINC000096106949 431938959 /nfs/dbraw/zinc/93/89/59/431938959.db2.gz OXLWRABQIDFKSU-QGZVFWFLSA-N 1 0 305.418 3.220 40 0 DGABRO Cc1occc1C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096159386 431940937 /nfs/dbraw/zinc/94/09/37/431940937.db2.gz SFHUADVTSLEZIQ-UHFFFAOYSA-N 1 0 302.418 3.069 40 0 DGABRO Cc1cccc(C[N@H+]2CCC[C@@]3(CCCN3C(=O)C(C)C)C2)n1 ZINC000096214520 431942528 /nfs/dbraw/zinc/94/25/28/431942528.db2.gz LTUGWTKVYNWILR-LJQANCHMSA-N 1 0 315.461 3.003 40 0 DGABRO COC[C@H]1CCC2(CCN(Cc3sccc3C)CC2)[N@@H+]1C ZINC000096216364 431942907 /nfs/dbraw/zinc/94/29/07/431942907.db2.gz WNUFDSYXDRZLQU-OAHLLOKOSA-N 1 0 308.491 3.132 40 0 DGABRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(Cc3cccc(F)c3)C2)C1 ZINC000096228733 431943069 /nfs/dbraw/zinc/94/30/69/431943069.db2.gz UYXGDFDULSEZRR-LJQANCHMSA-N 1 0 320.452 3.149 40 0 DGABRO CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC000096216961 431943102 /nfs/dbraw/zinc/94/31/02/431943102.db2.gz BBBPIQUIVHFUKG-GOSISDBHSA-N 1 0 302.466 3.205 40 0 DGABRO Cn1cncc1C[N@@H+]1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257212878 432418876 /nfs/dbraw/zinc/41/88/76/432418876.db2.gz CFHNTRVYKONZPD-HNNXBMFYSA-N 1 0 306.413 3.033 40 0 DGABRO Cc1ccnc([C@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257210866 432418975 /nfs/dbraw/zinc/41/89/75/432418975.db2.gz BWLTXSFOVVWJON-KRWDZBQOSA-N 1 0 307.397 3.050 40 0 DGABRO Nc1nccc([C@H]2CCCC[N@@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000257251254 432421741 /nfs/dbraw/zinc/42/17/41/432421741.db2.gz JPZVXKQCAKKTAO-QGZVFWFLSA-N 1 0 307.401 3.267 40 0 DGABRO Cn1cc(C[N@@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257239813 432423438 /nfs/dbraw/zinc/42/34/38/432423438.db2.gz HQXNUBLCMXLFDR-HNNXBMFYSA-N 1 0 306.413 3.033 40 0 DGABRO Cc1cc(C)nc([C@@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257254370 432423591 /nfs/dbraw/zinc/42/35/91/432423591.db2.gz KCTPXKRPXXXRFD-GOSISDBHSA-N 1 0 321.424 3.359 40 0 DGABRO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3c(C)nc4sccn34)C2)n1 ZINC000257260311 432424708 /nfs/dbraw/zinc/42/47/08/432424708.db2.gz LCHDOCNWINRCCQ-CYBMUJFWSA-N 1 0 315.446 3.115 40 0 DGABRO COc1cc(C=O)ccc1OCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000217797155 432656915 /nfs/dbraw/zinc/65/69/15/432656915.db2.gz QAAXXPBOMJSCQO-OAHLLOKOSA-N 1 0 305.418 3.399 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(OC)c(C)c1 ZINC000222869403 432673520 /nfs/dbraw/zinc/67/35/20/432673520.db2.gz WROBZFGPCZEMLI-KRWDZBQOSA-N 1 0 318.461 3.388 40 0 DGABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)C1CCCC1 ZINC000224698623 432682788 /nfs/dbraw/zinc/68/27/88/432682788.db2.gz VEHZAEMPNRBGQO-UHFFFAOYSA-N 1 0 300.446 3.479 40 0 DGABRO C[C@H]1CCCC[N@@H+]1CCCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000225294748 432688689 /nfs/dbraw/zinc/68/86/89/432688689.db2.gz STTOTRGXICYGMA-LBPRGKRZSA-N 1 0 301.390 3.068 40 0 DGABRO Fc1cccc(F)c1NC(=S)NCCC[NH+]1CCCCC1 ZINC000225410319 432688947 /nfs/dbraw/zinc/68/89/47/432688947.db2.gz NEAOJLTVKWHUCE-UHFFFAOYSA-N 1 0 313.417 3.127 40 0 DGABRO CC(C)Oc1cccc(NC(=S)NCCC[NH+]2CCCC2)c1 ZINC000225434610 432690704 /nfs/dbraw/zinc/69/07/04/432690704.db2.gz MSUCBHMJFRAJEL-UHFFFAOYSA-N 1 0 321.490 3.246 40 0 DGABRO CC1(C)CN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c2cccc(Cl)c21 ZINC000331734973 432960083 /nfs/dbraw/zinc/96/00/83/432960083.db2.gz ULKLQCJSUKXLEP-NWDGAFQWSA-N 1 0 321.852 3.275 40 0 DGABRO CC[C@H](C)Nc1nc(NCc2ccccc2F)cc(C2CC2)[nH+]1 ZINC000329068050 434354584 /nfs/dbraw/zinc/35/45/84/434354584.db2.gz YNMFDFRINJXTMJ-LBPRGKRZSA-N 1 0 314.408 3.159 40 0 DGABRO Cc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](CC4CC4)C[C@H]2C3)cc1 ZINC000306140226 534196679 /nfs/dbraw/zinc/19/66/79/534196679.db2.gz UNIZCVOBSDJNGN-QZTJIDSGSA-N 1 0 307.441 3.373 40 0 DGABRO CC[C@@H](C)Nc1nc(NCc2ccc(C)cc2)cc(C2CC2)[nH+]1 ZINC000328955952 529357296 /nfs/dbraw/zinc/35/72/96/529357296.db2.gz AEZUFGMTBFPIFE-CQSZACIVSA-N 1 0 310.445 3.329 40 0 DGABRO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000008326346 545648545 /nfs/dbraw/zinc/64/85/45/545648545.db2.gz DMOGGRMOHHPXAC-KRWDZBQOSA-N 1 0 315.413 3.135 40 0 DGABRO COCC[C@@H]1Cn2cccc2C[N@H+](Cc2ccccc2F)C1 ZINC000585095322 547025016 /nfs/dbraw/zinc/02/50/16/547025016.db2.gz PSILUXCBMJUYOI-HNNXBMFYSA-N 1 0 302.393 3.296 40 0 DGABRO COCC[C@@H]1Cn2cccc2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000585094657 547025239 /nfs/dbraw/zinc/02/52/39/547025239.db2.gz RDCGNSUURVQFRF-INIZCTEOSA-N 1 0 302.393 3.296 40 0 DGABRO COCC[C@H]1Cn2cccc2C[N@H+](Cc2ccc(OC)cc2)C1 ZINC000585094670 547025329 /nfs/dbraw/zinc/02/53/29/547025329.db2.gz YBTWMQLZAQNABW-QGZVFWFLSA-N 1 0 314.429 3.165 40 0 DGABRO Cc1ccccc1C(=O)N1CC[C@@]2(CCC[N@H+]2CC(C)C)C1 ZINC000585099335 547025402 /nfs/dbraw/zinc/02/54/02/547025402.db2.gz GEKFAFOINNZBSE-IBGZPJMESA-N 1 0 300.446 3.332 40 0 DGABRO [NH3+][C@@H]1CCC[C@@H](Oc2ccc(F)cc2Oc2ccccc2)[C@@H]1O ZINC000299850751 563498587 /nfs/dbraw/zinc/49/85/87/563498587.db2.gz MGVYOEJVPPMTOX-QGPMSJSTSA-N 1 0 317.360 3.238 40 0 DGABRO CC(C)(C)OC(=O)[C@H](N)Cc1cccc(F)c1C(F)(F)F ZINC000199831700 563515805 /nfs/dbraw/zinc/51/58/05/563515805.db2.gz WGMCWXSVOQYLPY-SNVBAGLBSA-N 1 0 307.287 3.056 40 0 DGABRO CC(C)(C)OC(=O)[C@H](N)Cc1ccc(F)cc1C(F)(F)F ZINC000199831769 563515919 /nfs/dbraw/zinc/51/59/19/563515919.db2.gz YYGGFTKOLVBOCY-LLVKDONJSA-N 1 0 307.287 3.056 40 0 DGABRO CC(C)(C)OC(=O)N1CCC([C@H]([NH3+])c2cccc(F)c2)CC1 ZINC000255189867 563927794 /nfs/dbraw/zinc/92/77/94/563927794.db2.gz SQJIQYIZUVCQEX-HNNXBMFYSA-N 1 0 308.397 3.473 40 0 DGABRO CCC[N@@H+]1CC[C@H]2CC(=O)Nc3ccccc3OCC[C@H]2C1 ZINC001534646938 1187912651 /nfs/dbraw/zinc/91/26/51/1187912651.db2.gz XILDEBVSSBDEAZ-GJZGRUSLSA-N 1 0 302.418 3.146 40 0 DGABRO C[NH+]1CCN(c2nc(Nc3ccccc3)nc3ccccc32)CC1 ZINC000041152433 1194127394 /nfs/dbraw/zinc/12/73/94/1194127394.db2.gz XIFIXMLAUKTDGM-UHFFFAOYSA-N 1 0 319.412 3.125 40 0 DGABRO c1ccc(CN2C[C@]3(CC[N@@H+](CC4CC4)C3)c3ncccc32)cc1 ZINC000306138956 231089205 /nfs/dbraw/zinc/08/92/05/231089205.db2.gz SLRUUDTYFCSXFC-OAQYLSRUSA-N 1 0 319.452 3.455 40 0 DGABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]C3CCCC3)cc12 ZINC000026521501 190653358 /nfs/dbraw/zinc/65/33/58/190653358.db2.gz DLCYWXNLKUBRFV-UHFFFAOYSA-N 1 0 322.412 3.054 40 0 DGABRO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000072203962 191076342 /nfs/dbraw/zinc/07/63/42/191076342.db2.gz ICKLJMZYXGJZHD-KGLIPLIRSA-N 1 0 305.422 3.132 40 0 DGABRO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000072363454 191131243 /nfs/dbraw/zinc/13/12/43/191131243.db2.gz BWUWOQYDXHSMFZ-OAHLLOKOSA-N 1 0 312.421 3.112 40 0 DGABRO COCC[N@@H+]1CCC[C@H](c2nc(C)n3c(C)c(C)sc23)C1 ZINC000072367891 191137276 /nfs/dbraw/zinc/13/72/76/191137276.db2.gz KRWZZINXSUTSAJ-AWEZNQCLSA-N 1 0 307.463 3.147 40 0 DGABRO Cc1nc(CN2CC[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cs1 ZINC000072386119 191144736 /nfs/dbraw/zinc/14/47/36/191144736.db2.gz KIVLZQNQZQPKLH-AWEZNQCLSA-N 1 0 316.474 3.210 40 0 DGABRO Fc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000072389900 191148327 /nfs/dbraw/zinc/14/83/27/191148327.db2.gz SXYYLNQQSPRWCL-OAHLLOKOSA-N 1 0 324.359 3.260 40 0 DGABRO C[C@@H]1CCCC(C)(C)[C@H]1[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001711727 180890454 /nfs/dbraw/zinc/89/04/54/180890454.db2.gz RQBCMASLXMHIPZ-CJNGLKHVSA-N 1 0 304.434 3.230 40 0 DGABRO COc1ccc2cc(C[NH2+][C@H]3CCCC[C@@H]3C)c(=O)[nH]c2c1 ZINC000004130509 181077435 /nfs/dbraw/zinc/07/74/35/181077435.db2.gz XRNWYVIHEPPHAR-LRDDRELGSA-N 1 0 300.402 3.205 40 0 DGABRO CC(C)[NH2+]C[C@@H](O)COCC(c1ccccc1)c1ccccc1 ZINC000004530113 181120512 /nfs/dbraw/zinc/12/05/12/181120512.db2.gz AZXWHABBGVWNIN-LJQANCHMSA-N 1 0 313.441 3.194 40 0 DGABRO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCCCC1 ZINC000004914856 181172460 /nfs/dbraw/zinc/17/24/60/181172460.db2.gz 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/nfs/dbraw/zinc/03/04/06/203030406.db2.gz SNMZLXLNKWJIHV-UHFFFAOYSA-N 1 0 316.445 3.215 40 0 DGABRO Cc1nc(Nc2nccs2)cc([C@@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000257278600 203006909 /nfs/dbraw/zinc/00/69/09/203006909.db2.gz OCWLKCUHWPYTCZ-CYBMUJFWSA-N 1 0 317.462 3.430 40 0 DGABRO Cc1ccc(Oc2ccccc2O[C@@H]2CCC[C@@H]([NH3+])[C@H]2O)cc1 ZINC000257277995 203006934 /nfs/dbraw/zinc/00/69/34/203006934.db2.gz OAIGGKTXSCIYLC-ATZDWAIDSA-N 1 0 313.397 3.407 40 0 DGABRO Cc1cnc([C@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)s1 ZINC000257282742 203009975 /nfs/dbraw/zinc/00/99/75/203009975.db2.gz OVCKSESAHHWLHR-HNNXBMFYSA-N 1 0 321.490 3.034 40 0 DGABRO c1cc(C[C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)n[nH]1 ZINC000257281897 203010974 /nfs/dbraw/zinc/01/09/74/203010974.db2.gz ORJZYULNGGUPRK-HNNXBMFYSA-N 1 0 306.413 3.413 40 0 DGABRO Cc1ccnc([C@H]2CC[N@@H+](Cc3cn(C)c4ccc(F)cc34)C2)n1 ZINC000257311976 203037541 /nfs/dbraw/zinc/03/75/41/203037541.db2.gz ULWASCXAOXPXQG-AWEZNQCLSA-N 1 0 324.403 3.405 40 0 DGABRO CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@H+]2C(C)C ZINC000257327317 203050138 /nfs/dbraw/zinc/05/01/38/203050138.db2.gz XAXPPQONPJSQHO-FHWLQOOXSA-N 1 0 300.446 3.264 40 0 DGABRO Cc1cnc(C[N@@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257339492 203060811 /nfs/dbraw/zinc/06/08/11/203060811.db2.gz ZBZAUJLXLRHTJZ-INIZCTEOSA-N 1 0 318.424 3.398 40 0 DGABRO CCCCn1cc(C[N@@H+]2CC[C@@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257337654 203061272 /nfs/dbraw/zinc/06/12/72/203061272.db2.gz YTTWLHQGOBQBFL-OAHLLOKOSA-N 1 0 301.438 3.013 40 0 DGABRO CCOC[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093838872 193315029 /nfs/dbraw/zinc/31/50/29/193315029.db2.gz YQITYADVKKDJCA-QGZVFWFLSA-N 1 0 313.445 3.348 40 0 DGABRO c1c2c(nn1CC1CC1)[C@H](C[NH2+]CC1CCCCC1)OCC2 ZINC000096044378 193496997 /nfs/dbraw/zinc/49/69/97/193496997.db2.gz OTNUVCSDEAXGLZ-KRWDZBQOSA-N 1 0 303.450 3.077 40 0 DGABRO c1c2c(nn1CC1CC1)[C@@H](C[NH2+]CC1CCCCC1)OCC2 ZINC000096044379 193497671 /nfs/dbraw/zinc/49/76/71/193497671.db2.gz OTNUVCSDEAXGLZ-QGZVFWFLSA-N 1 0 303.450 3.077 40 0 DGABRO Cc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]C2CCCC2)C3)cc1 ZINC000096269345 193608164 /nfs/dbraw/zinc/60/81/64/193608164.db2.gz UWUKXMBCNASCBT-KRWDZBQOSA-N 1 0 311.429 3.290 40 0 biogenic,in-vitro DGABRO CCOc1ccc(C[NH2+]CCc2ccc(OC)cc2)cc1OC ZINC000008324701 181547892 /nfs/dbraw/zinc/54/78/92/181547892.db2.gz QPQPLQTUANCPEQ-UHFFFAOYSA-N 1 0 315.413 3.435 40 0 DGABRO Cc1cc(C)c(C2[C@H]3c4ccccc4CCN3O[N+]2=O)c(C)c1 ZINC000016922524 182064655 /nfs/dbraw/zinc/06/46/55/182064655.db2.gz CEMWUBTWTCUPGQ-GOSISDBHSA-N 1 0 308.381 3.371 40 0 DGABRO Cc1csc([C@H](Cc2cccs2)[NH2+]C[C@H]2CCOC2)n1 ZINC000019240065 182111699 /nfs/dbraw/zinc/11/16/99/182111699.db2.gz AYVYFHARSMCODH-OCCSQVGLSA-N 1 0 308.472 3.423 40 0 DGABRO O[C@@H](C[NH+]1CCC(Oc2ccc(F)cc2)CC1)c1cccs1 ZINC000019342951 182116711 /nfs/dbraw/zinc/11/67/11/182116711.db2.gz HWAHNLSMFPSBDJ-INIZCTEOSA-N 1 0 321.417 3.464 40 0 DGABRO O[C@@H](C[NH+]1CCC(Oc2ccccc2F)CC1)c1cccs1 ZINC000019350150 182117542 /nfs/dbraw/zinc/11/75/42/182117542.db2.gz XJJRJFTXNRSWDR-HNNXBMFYSA-N 1 0 321.417 3.464 40 0 DGABRO c1csc(-c2noc([C@H]3CC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000019344691 182117735 /nfs/dbraw/zinc/11/77/35/182117735.db2.gz TUHRXCRCCADABU-ZDUSSCGKSA-N 1 0 312.398 3.183 40 0 DGABRO Cc1cc(C)n(-c2cccc(CN3C[C@@H]4CCC[N@H+]4C[C@H]3C)c2)n1 ZINC000019574820 182131003 /nfs/dbraw/zinc/13/10/03/182131003.db2.gz CDDJIMDNYZXHOL-XLIONFOSSA-N 1 0 324.472 3.158 40 0 DGABRO Cc1oc2c(c1C(=O)N(C)CC[NH+]1CCCCC1)CCCC2 ZINC000019657142 182134872 /nfs/dbraw/zinc/13/48/72/182134872.db2.gz GBSAREGGMQWCEO-UHFFFAOYSA-N 1 0 304.434 3.025 40 0 DGABRO Cc1ccc(C)c(CC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000020457648 182220030 /nfs/dbraw/zinc/22/00/30/182220030.db2.gz MFFOIILKLWAHTN-UHFFFAOYSA-N 1 0 302.462 3.084 40 0 DGABRO O=C(c1ccccc1)N1CCCC[C@@H]2[NH2+]C[C@@H](c3ccccc3)[C@@H]21 ZINC000257316589 284711109 /nfs/dbraw/zinc/71/11/09/284711109.db2.gz VGEVSZAYVIBMCB-UFYCRDLUSA-N 1 0 320.436 3.437 40 0 DGABRO C[NH+]1CCC(CCNC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000156378705 197108509 /nfs/dbraw/zinc/10/85/09/197108509.db2.gz DGUVEBKQBYTMCV-QPJJXVBHSA-N 1 0 306.837 3.201 40 0 DGABRO c1ccc(CO[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@H]3CCC[C@H]32)cc1 ZINC000252513889 257106480 /nfs/dbraw/zinc/10/64/80/257106480.db2.gz AOIYHYXUOPSXOB-ZGXWSNOMSA-N 1 0 314.473 3.341 40 0 DGABRO CCCC[N@@H+]1CCC[C@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219406 257124045 /nfs/dbraw/zinc/12/40/45/257124045.db2.gz GEVJWNIUWFIIGQ-KRWDZBQOSA-N 1 0 303.450 3.164 40 0 DGABRO CC(C)(C)OC(=O)N1[C@H]([C@H]([NH3+])c2ccccc2)COC1(C)C ZINC000072208808 257128300 /nfs/dbraw/zinc/12/83/00/257128300.db2.gz OEXNURJONFKAOX-UONOGXRCSA-N 1 0 306.406 3.058 40 0 DGABRO O[C@H](c1ccccc1)[C@@H](O)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000004742952 285360525 /nfs/dbraw/zinc/36/05/25/285360525.db2.gz NVPXWDVMTNNNKE-AQNXPRMDSA-N 1 0 311.425 3.308 40 0 DGABRO CO[C@@H]1CC2(CC[NH+]([C@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241660 285618755 /nfs/dbraw/zinc/61/87/55/285618755.db2.gz VYRVGMIVYHDGCN-WMLDXEAASA-N 1 0 305.393 3.039 40 0 DGABRO CCOCC[C@H]1CCOC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585105266 400125082 /nfs/dbraw/zinc/12/50/82/400125082.db2.gz RSDAQPBDMZXKTP-INIZCTEOSA-N 1 0 307.434 3.386 40 0 DGABRO CCOc1ccccc1C(=O)N1CC[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019712501 400186833 /nfs/dbraw/zinc/18/68/33/400186833.db2.gz TZSDVRCZCPWWRU-DLBZAZTESA-N 1 0 316.445 3.174 40 0 DGABRO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)cc1 ZINC000019371568 275067163 /nfs/dbraw/zinc/06/71/63/275067163.db2.gz XPXCKISMLHBMSR-QFBILLFUSA-N 1 0 320.440 3.339 40 0 DGABRO CN1C(=O)C2(CC[NH+](Cc3ccco3)CC2)[C@H]1c1ccccc1 ZINC000096100232 277006150 /nfs/dbraw/zinc/00/61/50/277006150.db2.gz VRYZAROQKVDXOP-QGZVFWFLSA-N 1 0 310.397 3.075 40 0 DGABRO Cc1ccccc1C[NH+]1CCC2(CC(NC(=O)N(C)C)C2)CC1 ZINC000108531401 431147976 /nfs/dbraw/zinc/14/79/76/431147976.db2.gz KOPFWHRNUNNZMK-UHFFFAOYSA-N 1 0 315.461 3.011 40 0 DGABRO COc1ccc2c(c1)[C@@](O)(C[NH3+])CCCC[C@@H](OC)CCCC2 ZINC000001584363 431232328 /nfs/dbraw/zinc/23/23/28/431232328.db2.gz SKTRNYRPGRIKCS-LPHOPBHVSA-N 1 0 321.461 3.143 40 0 DGABRO COc1ccc2c(c1)[C@](O)(C[NH3+])CCCC[C@H](OC)CCCC2 ZINC000001584366 431233509 /nfs/dbraw/zinc/23/35/09/431233509.db2.gz SKTRNYRPGRIKCS-VQIMIIECSA-N 1 0 321.461 3.143 40 0 DGABRO COc1ccc2[nH+]c3c(c(NCCC[NH+](C)C)c2c1)CCCC3 ZINC000001591912 431233771 /nfs/dbraw/zinc/23/37/71/431233771.db2.gz UQFIXYPIRPFPPL-UHFFFAOYSA-N 1 0 313.445 3.486 40 0 DGABRO O=C(c1ccccc1)C(CN1CCCCC1)C[NH+]1CCCCC1 ZINC000001671259 431234982 /nfs/dbraw/zinc/23/49/82/431234982.db2.gz CQDHXQRPRMXIBF-UHFFFAOYSA-N 1 0 314.473 3.457 40 0 DGABRO CC(C)C(=O)O[C@H]1c2cc(OCC[NH+](C)C)ccc2C[C@@H]1C ZINC000001668197 431237441 /nfs/dbraw/zinc/23/74/41/431237441.db2.gz MZHSSHXKQOTGOQ-SUMWQHHRSA-N 1 0 305.418 3.060 40 0 DGABRO CC[C@@H]1C[N@@H+]2CC[C@]34c5ccccc5N5C(=O)CC=C([C@H]53)[C@H]1C[C@H]24 ZINC000004568911 431301924 /nfs/dbraw/zinc/30/19/24/431301924.db2.gz GWARICYURZSFAG-GILOPPEBSA-N 1 0 320.436 3.104 40 0 DGABRO COc1cc2c(cc1OC)C(=O)[C@@H](N1CCCCC1)CCC2 ZINC000004963786 431303733 /nfs/dbraw/zinc/30/37/33/431303733.db2.gz AUMOZXJIOABWJQ-HNNXBMFYSA-N 1 0 303.402 3.077 40 0 DGABRO Cc1ccc(C)c(NC(=S)NCCC[NH+]2CCCCC2)c1 ZINC000007369661 431343873 /nfs/dbraw/zinc/34/38/73/431343873.db2.gz HOBFGOLZCKCIRH-UHFFFAOYSA-N 1 0 305.491 3.466 40 0 DGABRO COc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000008011629 431375781 /nfs/dbraw/zinc/37/57/81/431375781.db2.gz ZEYXXCMOGGIHBA-UHFFFAOYSA-N 1 0 324.424 3.221 40 0 DGABRO C[NH2+]CCCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000008377136 431396822 /nfs/dbraw/zinc/39/68/22/431396822.db2.gz CEKLAYLPAADGAW-UHFFFAOYSA-N 1 0 308.809 3.308 40 0 DGABRO COc1ccc(C[NH2+]Cc2ccc(F)cc2)c(OC)c1OC ZINC000008473547 431399558 /nfs/dbraw/zinc/39/95/58/431399558.db2.gz QOQXOLHNSCCGNB-UHFFFAOYSA-N 1 0 305.349 3.141 40 0 DGABRO Cc1cccc(NC(=S)NC[C@@H]2CCC[N@@H+](C)C2)c1Cl ZINC000009876198 431446502 /nfs/dbraw/zinc/44/65/02/431446502.db2.gz NQWAJPSIGQGFEG-LBPRGKRZSA-N 1 0 311.882 3.277 40 0 DGABRO Cc1ccc(/C=C/C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000010540326 431464625 /nfs/dbraw/zinc/46/46/25/431464625.db2.gz ARBDISNTGOYNSP-CMDGGOBGSA-N 1 0 300.446 3.246 40 0 DGABRO Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000012170399 431495018 /nfs/dbraw/zinc/49/50/18/431495018.db2.gz CGTWDODYBVWANC-HEHGZKQESA-N 1 0 311.853 3.366 40 0 DGABRO Cc1oc2ccc(O)cc2c1C(=O)N(C)CC[NH+]1CCCCC1 ZINC000012206147 431496623 /nfs/dbraw/zinc/49/66/23/431496623.db2.gz SAYBCNXSYHNXFG-UHFFFAOYSA-N 1 0 316.401 3.005 40 0 DGABRO C=Cn1cc(C[N@@H+](C)Cc2cc(=O)[nH]c3ccccc23)c(C)n1 ZINC000012188416 431496971 /nfs/dbraw/zinc/49/69/71/431496971.db2.gz CTDPCOFXIJZIMO-UHFFFAOYSA-N 1 0 308.385 3.178 40 0 DGABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)C1(c2ccccc2F)CC1 ZINC000012362950 431502552 /nfs/dbraw/zinc/50/25/52/431502552.db2.gz KYLHNZHXPCDRIU-HNNXBMFYSA-N 1 0 318.436 3.238 40 0 DGABRO COc1ccc2cc(C[N@H+](CCO)Cc3cccnc3)ccc2c1 ZINC000013569632 431560342 /nfs/dbraw/zinc/56/03/42/431560342.db2.gz VLWCBOOJHCAKTK-UHFFFAOYSA-N 1 0 322.408 3.238 40 0 DGABRO Cc1cccc(O[C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000013670230 431563413 /nfs/dbraw/zinc/56/34/13/431563413.db2.gz QMNPXHDPZQLKHP-KRWDZBQOSA-N 1 0 318.461 3.001 40 0 DGABRO O=C(COc1ccc(Cl)cc1)NCCC[NH+]1CCCCCC1 ZINC000013674621 431564371 /nfs/dbraw/zinc/56/43/71/431564371.db2.gz JFPIUILHYYOYEH-UHFFFAOYSA-N 1 0 324.852 3.101 40 0 DGABRO Cc1ccc(CN(CCC[NH+](C)C)Cc2ccccn2)s1 ZINC000013990744 431574002 /nfs/dbraw/zinc/57/40/02/431574002.db2.gz XXYDATRNCFOQEB-UHFFFAOYSA-N 1 0 303.475 3.405 40 0 DGABRO C[C@@H]1N(O)C(c2ccccc2)=C(c2ccccc2)[N+](=O)C1(C)C ZINC000018038334 431616788 /nfs/dbraw/zinc/61/67/88/431616788.db2.gz FRZVWIVLNUCYNM-AWEZNQCLSA-N 1 0 308.381 3.166 40 0 DGABRO Cc1cc([C@H]2CCCCC[N@H+]2Cc2c(C)nn(C)c2C)on1 ZINC000019120206 431618650 /nfs/dbraw/zinc/61/86/50/431618650.db2.gz BWRJZJZLZMNXBO-MRXNPFEDSA-N 1 0 302.422 3.451 40 0 DGABRO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000021809531 288246538 /nfs/dbraw/zinc/24/65/38/288246538.db2.gz SUZPBBSUTBAACQ-RBZYPMLTSA-N 1 0 303.233 3.102 40 0 DGABRO Cc1cnc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000035311234 431830709 /nfs/dbraw/zinc/83/07/09/431830709.db2.gz JNKUAIBSNNDFEW-UHFFFAOYSA-N 1 0 310.401 3.023 40 0 DGABRO Cc1ccsc1C[N@H+]1CC[C@H]2O[C@@H](c3nc(C)no3)CC[C@H]21 ZINC000096041074 431935027 /nfs/dbraw/zinc/93/50/27/431935027.db2.gz RYWNQALFUFKYBL-MGPQQGTHSA-N 1 0 319.430 3.243 40 0 DGABRO O=C(c1ccsc1)N1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000096046493 431935228 /nfs/dbraw/zinc/93/52/28/431935228.db2.gz IYNLRJCJUSNQPP-UHFFFAOYSA-N 1 0 318.467 3.158 40 0 DGABRO O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096048734 431935475 /nfs/dbraw/zinc/93/54/75/431935475.db2.gz ZUSCJDVHLLVCDD-KRWDZBQOSA-N 1 0 316.426 3.360 40 0 DGABRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000096061326 431936684 /nfs/dbraw/zinc/93/66/84/431936684.db2.gz XOCHWHAGVJHKSK-SFHVURJKSA-N 1 0 324.424 3.260 40 0 DGABRO CC[C@H](C)[N@@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000096063255 431936805 /nfs/dbraw/zinc/93/68/05/431936805.db2.gz FZCHYRPQSNRAQW-KBXCAEBGSA-N 1 0 304.409 3.049 40 0 DGABRO CC[NH+](CC)Cc1cncc2c1CCN(Cc1cccc(C)n1)C2 ZINC000096067399 431937070 /nfs/dbraw/zinc/93/70/70/431937070.db2.gz NILMAEKPHQFKIR-UHFFFAOYSA-N 1 0 324.472 3.185 40 0 DGABRO c1ccc(Cc2nnc([C@H]3CC[N@@H+](Cc4cccnc4)C3)o2)cc1 ZINC000049169853 431937168 /nfs/dbraw/zinc/93/71/68/431937168.db2.gz RIQDUHPUKCGYDL-KRWDZBQOSA-N 1 0 320.396 3.045 40 0 biogenic,in-vitro DGABRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](Cc1ccco1)CC2 ZINC000096061428 431937210 /nfs/dbraw/zinc/93/72/10/431937210.db2.gz FRVHZOKTRBPGRV-GOSISDBHSA-N 1 0 324.424 3.260 40 0 DGABRO CC(C)N1CC2(CC[NH+](Cc3nccn3C)CC2)c2ccccc21 ZINC000096078779 431937649 /nfs/dbraw/zinc/93/76/49/431937649.db2.gz RYHRITROXKOLPM-UHFFFAOYSA-N 1 0 324.472 3.182 40 0 DGABRO O=C(CC1CCCC1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096075235 431938270 /nfs/dbraw/zinc/93/82/70/431938270.db2.gz HBUCEUXYTXOPQS-UHFFFAOYSA-N 1 0 304.478 3.434 40 0 DGABRO COC[C@H]1COCCC12CC[NH+](Cc1sccc1C)CC2 ZINC000096106322 431938443 /nfs/dbraw/zinc/93/84/43/431938443.db2.gz NXOWTKWECKSILG-HNNXBMFYSA-N 1 0 309.475 3.322 40 0 DGABRO c1coc(C[NH+]2CCC3(CO[C@@H](COCC4CC4)C3)CC2)c1 ZINC000096105960 431939222 /nfs/dbraw/zinc/93/92/22/431939222.db2.gz ZTUFAJAXGJYCTM-QGZVFWFLSA-N 1 0 305.418 3.077 40 0 DGABRO Cc1occc1C(=O)N1CCC2(CC([NH+]3CCCC3)C2)CC1 ZINC000096159218 431940209 /nfs/dbraw/zinc/94/02/09/431940209.db2.gz RJNWCJJQBDJYGG-UHFFFAOYSA-N 1 0 302.418 3.069 40 0 DGABRO c1ccc(OCCN2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000096216432 431942138 /nfs/dbraw/zinc/94/21/38/431942138.db2.gz ISSDFMOQFUVOFQ-HXUWFJFHSA-N 1 0 314.473 3.263 40 0 DGABRO Cc1nc(CN2CCC3(C[NH+](Cc4cccs4)C3)C2)cs1 ZINC000096202525 431942683 /nfs/dbraw/zinc/94/26/83/431942683.db2.gz ARXVLEYJYUMISF-UHFFFAOYSA-N 1 0 319.499 3.221 40 0 DGABRO Cc1ccc(C[NH+]2CCC3(CCCN3C(=O)C(C)C)CC2)o1 ZINC000096227866 431942827 /nfs/dbraw/zinc/94/28/27/431942827.db2.gz YYVGHWPPWFSAKJ-UHFFFAOYSA-N 1 0 304.434 3.201 40 0 DGABRO CC(C)[N@@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)NCc1ccco1 ZINC000096252227 431943839 /nfs/dbraw/zinc/94/38/39/431943839.db2.gz WAJLVLJILWPGKP-FKEKPDDDSA-N 1 0 304.434 3.042 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)o1 ZINC000096249227 431944124 /nfs/dbraw/zinc/94/41/24/431944124.db2.gz GXHKPNLWTZSUHT-GDBMZVCRSA-N 1 0 317.458 3.141 40 0 DGABRO CCS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000096524819 431955365 /nfs/dbraw/zinc/95/53/65/431955365.db2.gz ONHRJNJEAOITIJ-GUYCJALGSA-N 1 0 303.427 3.177 40 0 DGABRO COc1cccc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000053964995 431967029 /nfs/dbraw/zinc/96/70/29/431967029.db2.gz RAXDRBBJGOWEKT-UHFFFAOYSA-N 1 0 305.422 3.083 40 0 DGABRO CCOc1ccc(C2=C[C@H](c3ccccc3)N3NC=NC3=[NH+]2)cc1 ZINC000100594094 431982084 /nfs/dbraw/zinc/98/20/84/431982084.db2.gz OJOJDITWWZWACK-GOSISDBHSA-N 1 0 318.380 3.386 40 0 DGABRO CN(Cc1ccc2cccc(Cl)c2n1)C[C@@H]1CC[N@H+](C)C1 ZINC000056682339 431988987 /nfs/dbraw/zinc/98/89/87/431988987.db2.gz DFNIKCRYFFWXPL-CYBMUJFWSA-N 1 0 303.837 3.272 40 0 DGABRO Cc1ccc(C[N@H+]2C[C@@H]3C(=O)N(c4ccccc4)C[C@H]3C2)s1 ZINC000248129517 432270317 /nfs/dbraw/zinc/27/03/17/432270317.db2.gz XXPYSZHYRBUERZ-PBHICJAKSA-N 1 0 312.438 3.151 40 0 DGABRO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC2)OCCN3CC2CC2)s1 ZINC000248052809 432264130 /nfs/dbraw/zinc/26/41/30/432264130.db2.gz BIMIPXCXRUOKAD-MSOLQXFVSA-N 1 0 320.502 3.132 40 0 DGABRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000260795994 432428348 /nfs/dbraw/zinc/42/83/48/432428348.db2.gz OCFBKRSGTIXUJX-HNNXBMFYSA-N 1 0 318.461 3.246 40 0 DGABRO CC(C)(C)OC(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC000255186966 432408895 /nfs/dbraw/zinc/40/88/95/432408895.db2.gz AINKHMDMQUUYKV-UHFFFAOYSA-N 1 0 322.424 3.263 40 0 DGABRO COc1ccc(CC[NH2+]Cc2cnn(C(C)C)c2C)cc1OC ZINC000256050901 432414588 /nfs/dbraw/zinc/41/45/88/432414588.db2.gz GXUGQHRWLOTMDS-UHFFFAOYSA-N 1 0 317.433 3.122 40 0 DGABRO c1ccc2c(c1)C=C(C[NH+]1CCC(c3cnccn3)CC1)CO2 ZINC000257209569 432417489 /nfs/dbraw/zinc/41/74/89/432417489.db2.gz BQWYBQYYSVPPKN-UHFFFAOYSA-N 1 0 307.397 3.132 40 0 DGABRO CC(C)Oc1ccc([C@H]2C[NH2+]CCN2Cc2cccnc2)cc1 ZINC000257207692 432418151 /nfs/dbraw/zinc/41/81/51/432418151.db2.gz BIUCJHBDUOOYPC-LJQANCHMSA-N 1 0 311.429 3.015 40 0 DGABRO CCCc1cc(Nc2ncc(C)s2)nc(C2CC[NH2+]CC2)n1 ZINC000257202499 432418177 /nfs/dbraw/zinc/41/81/77/432418177.db2.gz AMDFKPMCXOQVQM-UHFFFAOYSA-N 1 0 317.462 3.405 40 0 DGABRO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2c2ccncn2)cc1 ZINC000257215169 432418388 /nfs/dbraw/zinc/41/83/88/432418388.db2.gz CPAROEIONSDMKI-SFHVURJKSA-N 1 0 310.401 3.162 40 0 DGABRO CNc1cncc([C@H]2CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257221006 432418497 /nfs/dbraw/zinc/41/84/97/432418497.db2.gz DNDSRJARPXAFTJ-QGZVFWFLSA-N 1 0 307.401 3.337 40 0 DGABRO CNc1nccc([C@@H]2CCCC[N@@H+]2Cc2ccc(OC)cc2)n1 ZINC000257220264 432418691 /nfs/dbraw/zinc/41/86/91/432418691.db2.gz DKFFIMIDBABFCA-KRWDZBQOSA-N 1 0 312.417 3.254 40 0 DGABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257233915 432419595 /nfs/dbraw/zinc/41/95/95/432419595.db2.gz GRIQROMFGDIMSR-QGZVFWFLSA-N 1 0 315.442 3.116 40 0 DGABRO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2cccs2)ccn1 ZINC000257231632 432419790 /nfs/dbraw/zinc/41/97/90/432419790.db2.gz GHOSGNHDPKPOCD-KRWDZBQOSA-N 1 0 315.442 3.116 40 0 DGABRO CC(C)[N@@H+]1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257231482 432420583 /nfs/dbraw/zinc/42/05/83/432420583.db2.gz GGXLSPWJQQFQHQ-AOIWGVFYSA-N 1 0 300.446 3.139 40 0 DGABRO COc1cc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)ccc1F ZINC000257249961 432422714 /nfs/dbraw/zinc/42/27/14/432422714.db2.gz JKKMBQNXPPJTKQ-OAHLLOKOSA-N 1 0 315.392 3.312 40 0 DGABRO CC(=O)N1CCCCC[C@@H]2[N@H+](C)[C@H](Cc3ccccc3)C[C@@]21C ZINC000257257011 432423291 /nfs/dbraw/zinc/42/32/91/432423291.db2.gz KNRVFNURIRLEAI-AABGKKOBSA-N 1 0 314.473 3.483 40 0 DGABRO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCC[NH2+]2)cc1 ZINC000257304155 432424636 /nfs/dbraw/zinc/42/46/36/432424636.db2.gz SKGYLQZVODAXSD-INIZCTEOSA-N 1 0 312.417 3.033 40 0 DGABRO COc1ccc(CCCNC(=S)Nc2ccncc2)cc1 ZINC000225558135 432694987 /nfs/dbraw/zinc/69/49/87/432694987.db2.gz BRMZIFQSKZDSMW-UHFFFAOYSA-N 1 0 301.415 3.009 40 0 DGABRO Cc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nc1 ZINC000225731727 432696574 /nfs/dbraw/zinc/69/65/74/432696574.db2.gz CGDXDCJXESHFJS-GJZGRUSLSA-N 1 0 320.506 3.044 40 0 DGABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccc(F)cc2)C1 ZINC000225727773 432696618 /nfs/dbraw/zinc/69/66/18/432696618.db2.gz PUGLPAVARNALLA-KBPBESRZSA-N 1 0 323.481 3.480 40 0 DGABRO Cc1ccc(CCC(=O)NCCC[NH+]2CCC(C)CC2)cc1C ZINC000225812190 432698850 /nfs/dbraw/zinc/69/88/50/432698850.db2.gz PEPSFPDANBHESH-UHFFFAOYSA-N 1 0 316.489 3.474 40 0 DGABRO CCOc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1C ZINC000223336797 432675772 /nfs/dbraw/zinc/67/57/72/432675772.db2.gz KJSAEGSDBIANAK-UHFFFAOYSA-N 1 0 318.461 3.246 40 0 DGABRO CN(C)CC[N@@H+](Cc1cccs1)C[C@@H]1CCOC(C)(C)C1 ZINC000021151190 289150336 /nfs/dbraw/zinc/15/03/36/289150336.db2.gz RRNGTPCUDMLNBW-OAHLLOKOSA-N 1 0 310.507 3.317 40 0 DGABRO CCc1cc(N2CCc3ccccc3C2)nc(N[C@@H](C)CC)[nH+]1 ZINC000328983626 434340825 /nfs/dbraw/zinc/34/08/25/434340825.db2.gz HHOVJXJXSZFGFV-AWEZNQCLSA-N 1 0 310.445 3.812 40 0 DGABRO CNc1nc(N2CCc3cc(Cl)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329040753 434351452 /nfs/dbraw/zinc/35/14/52/434351452.db2.gz SERIXUSICWSPPI-UHFFFAOYSA-N 1 0 316.836 3.858 40 0 DGABRO CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000459747148 434695769 /nfs/dbraw/zinc/69/57/69/434695769.db2.gz GZIRIFRHICZCST-RBUKOAKNSA-N 1 0 303.446 3.458 40 0 DGABRO Cc1cc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1Cl ZINC000012170413 301377823 /nfs/dbraw/zinc/37/78/23/301377823.db2.gz ASCOOIJCINVEAP-KCQAQPDRSA-N 1 0 311.853 3.366 40 0 DGABRO Cc1nn(C)cc1-c1cncn1[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000019719506 518193739 /nfs/dbraw/zinc/19/37/39/518193739.db2.gz XUJJFLCJYCEQEV-SFHVURJKSA-N 1 0 323.444 3.133 40 0 DGABRO O=C1c2ccccc2CCN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000146954406 545986933 /nfs/dbraw/zinc/98/69/33/545986933.db2.gz OPXOZAGFWUHNBL-UHFFFAOYSA-N 1 0 320.436 3.350 40 0 DGABRO CC(C)C[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2cncs2)CC1 ZINC000585100032 547025055 /nfs/dbraw/zinc/02/50/55/547025055.db2.gz CTLKWYFZWMQMCP-KRWDZBQOSA-N 1 0 321.490 3.146 40 0 DGABRO [NH3+]CCCN1c2ccccc2[S@@](=O)c2ccc(Cl)cc21 ZINC000001841352 560184893 /nfs/dbraw/zinc/18/48/93/560184893.db2.gz YGJLHHBXRHEYRU-FQEVSTJZSA-N 1 0 306.818 3.307 40 0 in-vitro DGABRO c1ccc2c(c1)C=CO[C@@H]2C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000026895355 1193864761 /nfs/dbraw/zinc/86/47/61/1193864761.db2.gz IGNDBFYZORRAOJ-HNAYVOBHSA-N 1 0 309.365 3.158 40 0 DGABRO C[N@@H+]1CCC[C@@H]1[C@H](O)c1c[nH]c2ccc(Br)cc21 ZINC000088283114 1197727605 /nfs/dbraw/zinc/72/76/05/1197727605.db2.gz HTOSGRDNJROXTF-ZIAGYGMSSA-N 1 0 309.207 3.058 40 0 DGABRO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079420380 185170583 /nfs/dbraw/zinc/17/05/83/185170583.db2.gz LWDOASLJBLCVNY-ZDUSSCGKSA-N 1 0 303.233 3.325 40 0 DGABRO CCN(Cc1cc(Cl)ccc1Cl)C(=O)[C@@H]([NH3+])C(C)C ZINC000079420368 185170900 /nfs/dbraw/zinc/17/09/00/185170900.db2.gz HHEVAFQSDTYFPV-ZDUSSCGKSA-N 1 0 303.233 3.325 40 0 DGABRO c1coc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306125082 231083720 /nfs/dbraw/zinc/08/37/20/231083720.db2.gz CGJWHTIQXRFTRA-IRXDYDNUSA-N 1 0 319.408 3.447 40 0 DGABRO c1ccc(CNc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000328959431 231399410 /nfs/dbraw/zinc/39/94/10/231399410.db2.gz AUAWWJCPYYIIDP-UHFFFAOYSA-N 1 0 308.429 3.164 40 0 DGABRO Cc1ccc(C2([NH2+]Cc3cnn4c3nc(C)cc4C)CC2)cc1 ZINC000012361987 190636794 /nfs/dbraw/zinc/63/67/94/190636794.db2.gz GYTNEMUJNRSORO-UHFFFAOYSA-N 1 0 306.413 3.433 40 0 DGABRO C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1nccs1 ZINC000072203975 191075942 /nfs/dbraw/zinc/07/59/42/191075942.db2.gz JDHIYJVEFBSJLC-LLVKDONJSA-N 1 0 311.451 3.193 40 0 DGABRO C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccn1 ZINC000072203888 191076409 /nfs/dbraw/zinc/07/64/09/191076409.db2.gz OQBKQIPWYLIFHE-ZDUSSCGKSA-N 1 0 305.422 3.132 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(C)n1 ZINC000225584938 186280541 /nfs/dbraw/zinc/28/05/41/186280541.db2.gz XTUHISWVWYXPGB-HNNXBMFYSA-N 1 0 320.506 3.331 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(C)n1 ZINC000225584911 186280592 /nfs/dbraw/zinc/28/05/92/186280592.db2.gz XTUHISWVWYXPGB-OAHLLOKOSA-N 1 0 320.506 3.331 40 0 DGABRO c1cn(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cn1 ZINC000072350475 191128078 /nfs/dbraw/zinc/12/80/78/191128078.db2.gz ZJAUAOZWWIGJQU-OAHLLOKOSA-N 1 0 311.433 3.174 40 0 DGABRO CCC[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1 ZINC000072371194 191139140 /nfs/dbraw/zinc/13/91/40/191139140.db2.gz VMUZTLRNBVWVFX-CQSZACIVSA-N 1 0 317.408 3.370 40 0 DGABRO Cc1nc(CN2CC[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cs1 ZINC000072386118 191144760 /nfs/dbraw/zinc/14/47/60/191144760.db2.gz KIVLZQNQZQPKLH-CQSZACIVSA-N 1 0 316.474 3.210 40 0 DGABRO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC000174773487 295834713 /nfs/dbraw/zinc/83/47/13/295834713.db2.gz OVEKEHTULRJJKX-HNNXBMFYSA-N 1 0 302.462 3.201 40 0 DGABRO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CC[NH2+]C1 ZINC000072391935 191147954 /nfs/dbraw/zinc/14/79/54/191147954.db2.gz KJKDXFWYJNLYSN-OAQYLSRUSA-N 1 0 322.452 3.400 40 0 DGABRO c1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000072389883 191148552 /nfs/dbraw/zinc/14/85/52/191148552.db2.gz DYZBXRBNBWHJHW-INIZCTEOSA-N 1 0 306.369 3.121 40 0 DGABRO C[NH+](C)CCCNc1ncc(-c2ccco2)c(-c2ccco2)n1 ZINC000072396570 191149531 /nfs/dbraw/zinc/14/95/31/191149531.db2.gz WOWGDNRAXCCEOB-UHFFFAOYSA-N 1 0 312.373 3.360 40 0 DGABRO c1cc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]2c2ccccc2)n[nH]1 ZINC000072395177 191149902 /nfs/dbraw/zinc/14/99/02/191149902.db2.gz YLIRRMZAUXGBQE-ZWKOTPCHSA-N 1 0 304.397 3.188 40 0 DGABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000003865258 181050945 /nfs/dbraw/zinc/05/09/45/181050945.db2.gz KSBZZJRLSSHLLD-ZQIUZPCESA-N 1 0 311.853 3.195 40 0 DGABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000257298327 203023908 /nfs/dbraw/zinc/02/39/08/203023908.db2.gz RLFONUWYJHALKW-DEYWJSPQSA-N 1 0 323.440 3.255 40 0 DGABRO c1cc(C[C@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000257293641 203018186 /nfs/dbraw/zinc/01/81/86/203018186.db2.gz QQNASELKMJNESL-OAHLLOKOSA-N 1 0 306.413 3.413 40 0 DGABRO CCn1nccc1-c1nccnc1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000257313420 203039065 /nfs/dbraw/zinc/03/90/65/203039065.db2.gz USHOMAFZYZMAHU-OAHLLOKOSA-N 1 0 313.449 3.023 40 0 DGABRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)n1 ZINC000257316468 203040392 /nfs/dbraw/zinc/04/03/92/203040392.db2.gz VFTCQWSQHMEZGM-SFHVURJKSA-N 1 0 322.456 3.375 40 0 DGABRO c1ccc(CO[C@@H]2C[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3C2)cc1 ZINC000257317905 203043267 /nfs/dbraw/zinc/04/32/67/203043267.db2.gz VLQPEIDBVNHXGS-DZFIZOCASA-N 1 0 301.430 3.093 40 0 DGABRO FC(F)(F)c1cccc(Cc2ccc([C@@H]3C[NH2+]CCO3)nc2)c1 ZINC000257342266 203065679 /nfs/dbraw/zinc/06/56/79/203065679.db2.gz ZNVJHGBVVSHMLD-INIZCTEOSA-N 1 0 322.330 3.352 40 0 DGABRO C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000008497937 181560068 /nfs/dbraw/zinc/56/00/68/181560068.db2.gz VSTUUGBYVXJIAQ-ZDUSSCGKSA-N 1 0 305.805 3.389 40 0 DGABRO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccccc2)C1 ZINC000015674075 182011706 /nfs/dbraw/zinc/01/17/06/182011706.db2.gz IROPUKCGJODFNW-SJORKVTESA-N 1 0 321.380 3.045 40 0 biogenic,in-vitro DGABRO O=C(c1ccccc1)[C@](O)(C[NH+]1CCCCC1)c1ccccc1 ZINC000017299238 182081582 /nfs/dbraw/zinc/08/15/82/182081582.db2.gz ZYMMGYFMZMBYCB-FQEVSTJZSA-N 1 0 309.409 3.243 40 0 DGABRO Cn1nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019289492 182112819 /nfs/dbraw/zinc/11/28/19/182112819.db2.gz PMXFPJSMHSGDCN-OAHLLOKOSA-N 1 0 324.403 3.487 40 0 DGABRO Fc1cccc(Nc2nc(-c3cccnc3)nc3c2C[NH2+]CC3)c1 ZINC000019293983 182113403 /nfs/dbraw/zinc/11/34/03/182113403.db2.gz QZHPNTWFODIHGT-UHFFFAOYSA-N 1 0 321.359 3.067 40 0 DGABRO CC[NH+](CC)CCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000019366521 182118613 /nfs/dbraw/zinc/11/86/13/182118613.db2.gz ZMCDSBQGSSIJLF-VQTJNVASSA-N 1 0 312.457 3.393 40 0 DGABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccco3)cc2)C1 ZINC000020107420 182187656 /nfs/dbraw/zinc/18/76/56/182187656.db2.gz IHTFROIACGJGCT-OAHLLOKOSA-N 1 0 312.413 3.442 40 0 DGABRO CCOc1ccc(CN(CC[NH+](C)C)Cc2ccncc2)cc1 ZINC000022913751 182339963 /nfs/dbraw/zinc/33/99/63/182339963.db2.gz GELWMSNQRCHHAD-UHFFFAOYSA-N 1 0 313.445 3.044 40 0 DGABRO CCc1ccc2occ(CC(=O)N(C)C3CC[NH+](C)CC3)c2c1 ZINC000039893224 183022630 /nfs/dbraw/zinc/02/26/30/183022630.db2.gz RIMXEFAMHXAYPV-UHFFFAOYSA-N 1 0 314.429 3.090 40 0 DGABRO Cc1cc(I)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072225992 257123555 /nfs/dbraw/zinc/12/35/55/257123555.db2.gz FROLARMPWFYLPU-CYBMUJFWSA-N 1 0 324.165 3.043 40 0 DGABRO Cc1cc(N2CCOCC2)ncc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072219423 257124048 /nfs/dbraw/zinc/12/40/48/257124048.db2.gz AIRKICCXRFMXAI-GOSISDBHSA-N 1 0 317.477 3.410 40 0 DGABRO C[C@@H]1CN([C@H](C[NH3+])c2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000021809533 257130053 /nfs/dbraw/zinc/13/00/53/257130053.db2.gz SUZPBBSUTBAACQ-GPCCPHFNSA-N 1 0 303.233 3.102 40 0 DGABRO COCO[C@@H]1CCCN(c2ccccc2[C@@H]([NH3+])CC(C)C)C1 ZINC000504544568 257144658 /nfs/dbraw/zinc/14/46/58/257144658.db2.gz HVWGQJMMDGGTPN-WBVHZDCISA-N 1 0 306.450 3.322 40 0 DGABRO c1ccc(CO[C@@H]2CSC3(C[NH+](C4CCCC4)C3)C2)nc1 ZINC000585105402 400125943 /nfs/dbraw/zinc/12/59/43/400125943.db2.gz WAMCRSJBWCRCPR-INIZCTEOSA-N 1 0 304.459 3.101 40 0 DGABRO O=C(Nc1nc([C@@H]2CCC[NH2+]2)cs1)c1cccc(Cl)c1 ZINC000585266816 400131065 /nfs/dbraw/zinc/13/10/65/400131065.db2.gz QDQCZBJXMBFPFR-NSHDSACASA-N 1 0 307.806 3.473 40 0 DGABRO COc1ccc([C@H]([NH3+])CCc2cccc(OC)c2OC)cc1 ZINC000001667046 286373920 /nfs/dbraw/zinc/37/39/20/286373920.db2.gz BNXPPYKNSVMIIN-MRXNPFEDSA-N 1 0 301.386 3.345 40 0 DGABRO Cc1ccc2c(c1)CN(Cc1ccsc1)[C@H](C[NH+](C)C)CO2 ZINC000072395303 292326191 /nfs/dbraw/zinc/32/61/91/292326191.db2.gz YGDOXZIXIRFOGW-QGZVFWFLSA-N 1 0 316.470 3.381 40 0 DGABRO c1cncc(CO[C@H]2CSC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC000247918859 432255159 /nfs/dbraw/zinc/25/51/59/432255159.db2.gz ZZPGZJVJQKMHKG-MRXNPFEDSA-N 1 0 304.459 3.101 40 0 DGABRO CC1(C)Oc2c(O)cccc2[C@@H]2OCC3(CC[NH2+]CC3)C[C@H]21 ZINC000257305055 276157137 /nfs/dbraw/zinc/15/71/37/276157137.db2.gz SOGIOBKUCBONDW-HIFRSBDPSA-N 1 0 303.402 3.011 40 0 DGABRO C[C@@H]1C[NH+](Cc2c3cccnc3[nH]c2[C@H]2CCCO2)C[C@@H](C)O1 ZINC000019497531 278773742 /nfs/dbraw/zinc/77/37/42/278773742.db2.gz KQZPATQNVMNTKR-XJKCOSOUSA-N 1 0 315.417 3.024 40 0 DGABRO CC[N@H+](C)[C@@H]1CN(C(=O)Cc2ccccc2)C2(C1)CCCCC2 ZINC000257261902 279043807 /nfs/dbraw/zinc/04/38/07/279043807.db2.gz LJFYRGNUJFDBPM-SFHVURJKSA-N 1 0 314.473 3.485 40 0 DGABRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000068593190 431134695 /nfs/dbraw/zinc/13/46/95/431134695.db2.gz XCMHWWZDAXHISG-ZBFHGGJFSA-N 1 0 304.434 3.422 40 0 DGABRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000068593204 431134949 /nfs/dbraw/zinc/13/49/49/431134949.db2.gz XCMHWWZDAXHISG-GOEBONIOSA-N 1 0 304.434 3.422 40 0 DGABRO COc1ccc(C(=O)[C@H](C[NH+](C)C)c2ccc(OC)cc2)cc1 ZINC000001665785 431236852 /nfs/dbraw/zinc/23/68/52/431236852.db2.gz GZANJSHFALBLSZ-GOSISDBHSA-N 1 0 313.397 3.232 40 0 DGABRO CCOC(=O)Nc1cc(C)c(NC(=O)C[NH+](CC)CC)c(C)c1 ZINC000001666061 431237259 /nfs/dbraw/zinc/23/72/59/431237259.db2.gz BICZTUOPROFDRM-UHFFFAOYSA-N 1 0 321.421 3.152 40 0 DGABRO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(O)c2c1C1CCC2CC1 ZINC000001846404 431239189 /nfs/dbraw/zinc/23/91/89/431239189.db2.gz GEVXLKYQQIKELK-RUXDESIVSA-N 1 0 319.445 3.275 40 0 in-man DGABRO c1cnc([N-]c2nccnc2[C@H]2CCCN2C2CCCC2)nc1 ZINC000072363428 431337080 /nfs/dbraw/zinc/33/70/80/431337080.db2.gz CKTCISJCGWOTGW-CQSZACIVSA-N 1 0 310.405 3.090 40 0 DGABRO CCOCCC[NH2+]Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000008253136 431387641 /nfs/dbraw/zinc/38/76/41/431387641.db2.gz AXALSJFYICLRSZ-UHFFFAOYSA-N 1 0 301.814 3.264 40 0 DGABRO c1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4cccnc4)n[nH]3)C2)cc1 ZINC000012115736 431490925 /nfs/dbraw/zinc/49/09/25/431490925.db2.gz NESMGWJEJUYHGW-KRWDZBQOSA-N 1 0 319.412 3.246 40 0 DGABRO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@@H+](C4CCCCC4)C[C@@H]32)nc1 ZINC000012223243 431497870 /nfs/dbraw/zinc/49/78/70/431497870.db2.gz GFKQUFPCFQIKBO-HHXXYDBFSA-N 1 0 300.446 3.252 40 0 DGABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)C1(c2cccc(F)c2)CC1 ZINC000012362996 431504446 /nfs/dbraw/zinc/50/44/46/431504446.db2.gz SMYLKMAVONSAOQ-QGZVFWFLSA-N 1 0 318.436 3.238 40 0 DGABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cc4ccccc4cn3)C2)cn1 ZINC000012337385 431504730 /nfs/dbraw/zinc/50/47/30/431504730.db2.gz LMAXCHXFKRBXBQ-SFHVURJKSA-N 1 0 306.413 3.348 40 0 DGABRO Cc1cccc2cc(C[NH2+]CCc3ccc(F)cc3)c(=O)[nH]c12 ZINC000013566549 431560914 /nfs/dbraw/zinc/56/09/14/431560914.db2.gz SIIWKWTVNFUOLU-UHFFFAOYSA-N 1 0 310.372 3.308 40 0 DGABRO Cc1cc2cc(C[NH2+]Cc3ccccc3)c3nnnn3c2cc1C ZINC000013998122 431575314 /nfs/dbraw/zinc/57/53/14/431575314.db2.gz AUBIDMUFLJUJMP-UHFFFAOYSA-N 1 0 317.396 3.184 40 0 DGABRO Cc1ccc2cc(C[NH2+]Cc3cccs3)c3nnnn3c2c1C ZINC000013998112 431575583 /nfs/dbraw/zinc/57/55/83/431575583.db2.gz UKOFNXOSBCAODT-UHFFFAOYSA-N 1 0 323.425 3.246 40 0 DGABRO COc1ccccc1C[NH2+]Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013999140 431576516 /nfs/dbraw/zinc/57/65/16/431576516.db2.gz CDMOTNNCKPTUEF-UHFFFAOYSA-N 1 0 322.408 3.443 40 0 DGABRO Clc1ccc(C2([NH+]3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC000019332801 431620197 /nfs/dbraw/zinc/62/01/97/431620197.db2.gz HMCSKNFMERKUSC-UHFFFAOYSA-N 1 0 320.864 3.126 40 0 DGABRO CC[NH+](CC)CCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000022108717 431633250 /nfs/dbraw/zinc/63/32/50/431633250.db2.gz UVPIQTZTYCDCPE-OAHLLOKOSA-N 1 0 316.445 3.431 40 0 DGABRO CCCCOc1ccc(OCCCC[NH+]2CCOCC2)cc1 ZINC000031923652 431769802 /nfs/dbraw/zinc/76/98/02/431769802.db2.gz RTLMZZHYKGSREQ-UHFFFAOYSA-N 1 0 307.434 3.357 40 0 DGABRO Cc1ccc(NC(=O)COc2ccc(C[NH3+])cc2)cc1Cl ZINC000036720771 431840710 /nfs/dbraw/zinc/84/07/10/431840710.db2.gz OHSYTHSOTUJHBS-UHFFFAOYSA-N 1 0 304.777 3.125 40 0 DGABRO [NH3+]Cc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000036720758 431841079 /nfs/dbraw/zinc/84/10/79/431841079.db2.gz ISQDMXFWOIHKJS-UHFFFAOYSA-N 1 0 324.302 3.182 40 0 DGABRO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095080827 431921120 /nfs/dbraw/zinc/92/11/20/431921120.db2.gz XZRJUWDOUWQDRA-INIZCTEOSA-N 1 0 304.434 3.423 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4ccnc(C)n4)O[C@@H]3C2)cc1 ZINC000096046155 431935062 /nfs/dbraw/zinc/93/50/62/431935062.db2.gz YYMDUOIGRXZJHW-DFQSSKMNSA-N 1 0 323.440 3.446 40 0 DGABRO c1csc(CN2CCC[C@@]3(C2)COCC[N@@H+](CC2CC2)C3)c1 ZINC000096049470 431935488 /nfs/dbraw/zinc/93/54/88/431935488.db2.gz FVIPDGQCANHFOT-SFHVURJKSA-N 1 0 320.502 3.073 40 0 DGABRO CC[C@@H]1[N@H+](Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2C ZINC000096052419 431936466 /nfs/dbraw/zinc/93/64/66/431936466.db2.gz OKVUEGFWSLZMCD-HKUYNNGSSA-N 1 0 316.445 3.061 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)o1 ZINC000096057001 431937049 /nfs/dbraw/zinc/93/70/49/431937049.db2.gz CKHUCMLMMYHWJX-RTBURBONSA-N 1 0 319.445 3.386 40 0 DGABRO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C)[C@@H]2Cc2ccncc2)s1 ZINC000096061732 431937312 /nfs/dbraw/zinc/93/73/12/431937312.db2.gz FZTYRPGDUNLBME-MSOLQXFVSA-N 1 0 315.486 3.199 40 0 DGABRO O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000096080585 431937707 /nfs/dbraw/zinc/93/77/07/431937707.db2.gz NCQOZIOIVVPREH-WMZOPIPTSA-N 1 0 307.397 3.035 40 0 DGABRO c1csc(C[N@H+]2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1 ZINC000096107473 431939028 /nfs/dbraw/zinc/93/90/28/431939028.db2.gz HTDNSBDZVMJHSC-RDJZCZTQSA-N 1 0 307.459 3.298 40 0 DGABRO c1coc(C[NH+]2CCC3(C[C@@H](OCC4CCC4)CO3)CC2)c1 ZINC000096207064 431942488 /nfs/dbraw/zinc/94/24/88/431942488.db2.gz QFJNBRDTAJTAAW-QGZVFWFLSA-N 1 0 305.418 3.220 40 0 DGABRO CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3cccs3)C2)C1 ZINC000096215289 431942854 /nfs/dbraw/zinc/94/28/54/431942854.db2.gz RDKZIIFTUFFKDX-SFHVURJKSA-N 1 0 320.502 3.261 40 0 DGABRO c1nc2n(c1-c1ccccc1)C[C@H](C[NH2+]Cc1ccccc1)OC2 ZINC000096296448 431944198 /nfs/dbraw/zinc/94/41/98/431944198.db2.gz OGAPSHFOMBBJMZ-SFHVURJKSA-N 1 0 319.408 3.239 40 0 biogenic,in-vitro DGABRO Cc1ccc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)o1 ZINC000096255155 431944273 /nfs/dbraw/zinc/94/42/73/431944273.db2.gz KFWUNNNJNMAPIW-UHFFFAOYSA-N 1 0 309.369 3.239 40 0 DGABRO Cc1ccc2nc(-c3cc(Br)c[n+](C)c3)oc2c1 ZINC000226774719 281148271 /nfs/dbraw/zinc/14/82/71/281148271.db2.gz IOKXPAPCLFCATR-UHFFFAOYSA-N 1 0 304.167 3.390 40 0 DGABRO COCC[C@H]1CCOC12CC[NH+](Cc1ccccc1C)CC2 ZINC000248168548 432273302 /nfs/dbraw/zinc/27/33/02/432273302.db2.gz UFEJDKPVHPYXNQ-SFHVURJKSA-N 1 0 303.446 3.403 40 0 DGABRO CC[C@H](C)[N@@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000248215369 432276116 /nfs/dbraw/zinc/27/61/16/432276116.db2.gz FZCHYRPQSNRAQW-KSSFIOAISA-N 1 0 304.409 3.049 40 0 DGABRO CCn1ncc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1C ZINC000057810975 431994082 /nfs/dbraw/zinc/99/40/82/431994082.db2.gz UTDXRCOBSQWBFH-IBGZPJMESA-N 1 0 313.445 3.393 40 0 DGABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH+]1CCCCCC1)C2 ZINC000009970749 281541725 /nfs/dbraw/zinc/54/17/25/281541725.db2.gz PIWZUYGSMGBKSL-DODZYUBVSA-N 1 0 309.494 3.455 40 0 DGABRO Cc1ccc(CCC(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000260798237 432428011 /nfs/dbraw/zinc/42/80/11/432428011.db2.gz QMRLFIRUHNYJSB-INIZCTEOSA-N 1 0 316.489 3.474 40 0 DGABRO Cc1cc(C)c(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000260803027 432428957 /nfs/dbraw/zinc/42/89/57/432428957.db2.gz XNYJXWRXISONGV-AWEZNQCLSA-N 1 0 302.462 3.464 40 0 DGABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC000255188809 432408944 /nfs/dbraw/zinc/40/89/44/432408944.db2.gz LTVDLOPFBXVBIV-SHTZXODSSA-N 1 0 305.422 3.007 40 0 DGABRO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257221005 432417695 /nfs/dbraw/zinc/41/76/95/432417695.db2.gz DNDSRJARPXAFTJ-KRWDZBQOSA-N 1 0 307.401 3.337 40 0 DGABRO Cn1cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c2cc(F)ccc21 ZINC000257216032 432418673 /nfs/dbraw/zinc/41/86/73/432418673.db2.gz CSURNDWXUXWRNY-AWEZNQCLSA-N 1 0 324.403 3.487 40 0 DGABRO Cc1ncccc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]12 ZINC000257206060 432419025 /nfs/dbraw/zinc/41/90/25/432419025.db2.gz BBQFFIUGNIWJOF-HHXXYDBFSA-N 1 0 309.413 3.074 40 0 DGABRO c1cc2cc(C[C@@H]3CCC[N@H+](Cc4cccnc4)C3)cnc2[nH]1 ZINC000257249922 432422024 /nfs/dbraw/zinc/42/20/24/432422024.db2.gz JKGLACITLSPLQA-HNNXBMFYSA-N 1 0 306.413 3.413 40 0 DGABRO c1cc([C@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)n[nH]1 ZINC000257244095 432422467 /nfs/dbraw/zinc/42/24/67/432422467.db2.gz IJVDBKVBCNSQBX-INIZCTEOSA-N 1 0 310.445 3.390 40 0 DGABRO c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)n[nH]1 ZINC000257244096 432423178 /nfs/dbraw/zinc/42/31/78/432423178.db2.gz IJVDBKVBCNSQBX-MRXNPFEDSA-N 1 0 310.445 3.390 40 0 DGABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257268303 432424924 /nfs/dbraw/zinc/42/49/24/432424924.db2.gz MLBGQCPNPWDLFH-LBPRGKRZSA-N 1 0 313.430 3.159 40 0 DGABRO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3c(C)nc4sccn34)C2)n1 ZINC000257260312 432425257 /nfs/dbraw/zinc/42/52/57/432425257.db2.gz LCHDOCNWINRCCQ-ZDUSSCGKSA-N 1 0 315.446 3.115 40 0 DGABRO CCn1nccc1-c1cc(CC2CC[NH+](C(C)C)CC2)ncn1 ZINC000257292043 432425616 /nfs/dbraw/zinc/42/56/16/432425616.db2.gz QJSISEFWRJRCQP-UHFFFAOYSA-N 1 0 313.449 3.023 40 0 DGABRO CCOc1ccccc1C[NH+]1CCC2(CC1)OCCC[C@@H]2OC ZINC000257267321 432425868 /nfs/dbraw/zinc/42/58/68/432425868.db2.gz MGUBIETZPCDYFH-SFHVURJKSA-N 1 0 319.445 3.245 40 0 DGABRO Cc1cnc2n1C[C@H](c1ccccc1)N(Cc1cscn1)C2 ZINC000257344951 432427382 /nfs/dbraw/zinc/42/73/82/432427382.db2.gz ZZIPNWUSSUTKSR-MRXNPFEDSA-N 1 0 310.426 3.405 40 0 DGABRO CCOc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1C ZINC000225746157 432695455 /nfs/dbraw/zinc/69/54/55/432695455.db2.gz OWEPZUJRJWCBHY-UHFFFAOYSA-N 1 0 318.461 3.390 40 0 DGABRO CCOc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1Cl ZINC000225763760 432697846 /nfs/dbraw/zinc/69/78/46/432697846.db2.gz LSRDKAXVYQGTOS-UHFFFAOYSA-N 1 0 324.852 3.345 40 0 DGABRO C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000222215909 432670983 /nfs/dbraw/zinc/67/09/83/432670983.db2.gz RNNMSKIARPGIKI-PWRODBHTSA-N 1 0 310.485 3.449 40 0 DGABRO Cc1ccc(CCC(=O)NCCC[NH+]2CCCCC2)cc1C ZINC000225075462 432685950 /nfs/dbraw/zinc/68/59/50/432685950.db2.gz ZLGLTELGRNFTQB-UHFFFAOYSA-N 1 0 302.462 3.228 40 0 DGABRO CC(C)Oc1ccc(NC(=S)NCCC[NH+]2CCCC2)cc1 ZINC000225434558 432691330 /nfs/dbraw/zinc/69/13/30/432691330.db2.gz XOXYJLLXSTYOSS-UHFFFAOYSA-N 1 0 321.490 3.246 40 0 DGABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CC2)CC1 ZINC000100750191 289289651 /nfs/dbraw/zinc/28/96/51/289289651.db2.gz MTCCMEDODPNOBJ-RVKKMQEKSA-N 1 0 315.461 3.017 40 0 DGABRO CC[C@@H](C)Nc1nc(NCc2ccccc2C)cc(C2CC2)[nH+]1 ZINC000329048347 434347592 /nfs/dbraw/zinc/34/75/92/434347592.db2.gz UJMNJUNQPQMTQY-CQSZACIVSA-N 1 0 310.445 3.329 40 0 DGABRO C[NH+](C)[C@H]1CCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC000517438602 435596119 /nfs/dbraw/zinc/59/61/19/435596119.db2.gz GIWAXFZXODOPPA-IBGZPJMESA-N 1 0 310.441 3.402 40 0 DGABRO Cc1cc2c[nH+]cn2c([C@@H]2CCCCN2C(=O)c2ccccc2)n1 ZINC000257319976 301461048 /nfs/dbraw/zinc/46/10/48/301461048.db2.gz VUVFZNDYXWVHPU-KRWDZBQOSA-N 1 0 320.396 3.405 40 0 DGABRO O[C@@]1(c2cccs2)CN2CCCCCC2=[N+]1c1ccccc1 ZINC000000407651 304839303 /nfs/dbraw/zinc/83/93/03/304839303.db2.gz ZHSUDMIUUHCBQX-GOSISDBHSA-N 1 0 313.446 3.398 40 0 DGABRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1)c1ccco1 ZINC000027698507 656397139 /nfs/dbraw/zinc/39/71/39/656397139.db2.gz JWEUCYCKXBKRCQ-AYHJJNSGSA-N 1 0 324.424 3.248 40 0 DGABRO [NH3+][C@@H]1C[C@@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc21 ZINC000261637919 656938043 /nfs/dbraw/zinc/93/80/43/656938043.db2.gz HYZZGQJOAHUDLM-RTBURBONSA-N 1 0 321.424 3.048 40 0 DGABRO c1ccc(COc2cccc(C[NH2+]CCN3CCCC3)c2)cc1 ZINC000060844459 1195159932 /nfs/dbraw/zinc/15/99/32/1195159932.db2.gz OHJSJHMCGQLPEK-UHFFFAOYSA-N 1 0 310.441 3.451 40 0 DGABRO COC(=O)CC1CC[NH+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC000096837482 185389019 /nfs/dbraw/zinc/38/90/19/185389019.db2.gz LWBNKPYMTXWLJK-UHFFFAOYSA-N 1 0 316.376 3.149 40 0 DGABRO c1ccc(C2(c3ccccc3)OC[C@H]([C@H]3CCCC[NH2+]3)O2)cc1 ZINC000003080604 190616733 /nfs/dbraw/zinc/61/67/33/190616733.db2.gz HGKAMARNFGKMLC-RTBURBONSA-N 1 0 309.409 3.445 40 0 in-man DGABRO CCOC(C[N@H+](Cc1ccc2c(c1)OCO2)C(C)(C)C)OCC ZINC000095470478 185372529 /nfs/dbraw/zinc/37/25/29/185372529.db2.gz BHMBZUBPHVMXNM-UHFFFAOYSA-N 1 0 323.433 3.415 40 0 DGABRO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000072203961 191076636 /nfs/dbraw/zinc/07/66/36/191076636.db2.gz ICKLJMZYXGJZHD-KBPBESRZSA-N 1 0 305.422 3.132 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C)cn1 ZINC000225584842 186280513 /nfs/dbraw/zinc/28/05/13/186280513.db2.gz POYXCCVPBFAWPK-OAHLLOKOSA-N 1 0 320.506 3.331 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccncc1 ZINC000225585102 186280604 /nfs/dbraw/zinc/28/06/04/186280604.db2.gz BNKXBYOHYIKAKJ-OAHLLOKOSA-N 1 0 306.479 3.023 40 0 DGABRO Cc1cc(Nc2ncccn2)nc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000072359941 191130244 /nfs/dbraw/zinc/13/02/44/191130244.db2.gz YNDYCJGMTWKKDW-HNNXBMFYSA-N 1 0 324.432 3.398 40 0 DGABRO CC(C)[N@@H+]1CCC[C@H](c2nccnc2Nc2nccs2)C1 ZINC000072364728 191132867 /nfs/dbraw/zinc/13/28/67/191132867.db2.gz GRRZYFMLRPBDII-LBPRGKRZSA-N 1 0 303.435 3.265 40 0 DGABRO OC1(C[NH+]2CCC(c3onc4c3CCC4)CC2)CCCCC1 ZINC000072367496 191137458 /nfs/dbraw/zinc/13/74/58/191137458.db2.gz QQHRKKIAEQQPTK-UHFFFAOYSA-N 1 0 304.434 3.038 40 0 DGABRO Cc1nccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072378663 191141304 /nfs/dbraw/zinc/14/13/04/191141304.db2.gz XOBIANGRWQIJEI-GOSISDBHSA-N 1 0 319.412 3.308 40 0 DGABRO Cc1cc(Nc2ncccc2C)nc([C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000072382383 191143035 /nfs/dbraw/zinc/14/30/35/191143035.db2.gz PBKRMHRIGZXMGV-OAHLLOKOSA-N 1 0 311.433 3.430 40 0 DGABRO CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC[NH2+]C1 ZINC000072391953 191148247 /nfs/dbraw/zinc/14/82/47/191148247.db2.gz UHEWKYXRUURRGQ-NRFANRHFSA-N 1 0 322.452 3.402 40 0 DGABRO Cc1cnc2[nH]c(C(F)(F)F)c(CN3CCSCC3)c2c1 ZINC000072395399 191149190 /nfs/dbraw/zinc/14/91/90/191149190.db2.gz NRDWDRHZLZAKQC-UHFFFAOYSA-N 1 0 315.364 3.439 40 0 DGABRO C[N@@H+]1CCC[C@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000072829243 191234552 /nfs/dbraw/zinc/23/45/52/191234552.db2.gz KXZHTSHYQNYVQR-SFHVURJKSA-N 1 0 308.425 3.234 40 0 DGABRO c1coc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)c1 ZINC000107711923 432036926 /nfs/dbraw/zinc/03/69/26/432036926.db2.gz AXHWVVFYWPBOKW-MSOLQXFVSA-N 1 0 305.418 3.077 40 0 DGABRO O=C(c1cccc(Cl)c1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004723264 181142160 /nfs/dbraw/zinc/14/21/60/181142160.db2.gz CSQIPDRJAUDPME-VBQJREDUSA-N 1 0 318.848 3.286 40 0 DGABRO CC(C)[NH2+]CCO[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000004769418 181149647 /nfs/dbraw/zinc/14/96/47/181149647.db2.gz LATRADDNRKNQQJ-JOCHJYFZSA-N 1 0 317.454 3.454 40 0 DGABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000067801288 432041512 /nfs/dbraw/zinc/04/15/12/432041512.db2.gz PKADNTNWLFEQPF-OAHLLOKOSA-N 1 0 308.397 3.315 40 0 DGABRO Cc1n[nH]c(C)c1-c1cnc(C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257277360 203005702 /nfs/dbraw/zinc/00/57/02/203005702.db2.gz NXRDEQNZIRBCJA-OAHLLOKOSA-N 1 0 313.449 3.146 40 0 DGABRO Cc1nc([C@H]2CCC[NH2+]C2)nc2c1CCCN2Cc1ccccc1 ZINC000257275000 203003273 /nfs/dbraw/zinc/00/32/73/203003273.db2.gz NNOTZJPKDKCCAU-KRWDZBQOSA-N 1 0 322.456 3.205 40 0 DGABRO COc1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4cnccn4)C3)cc2c1 ZINC000257298836 203022758 /nfs/dbraw/zinc/02/27/58/203022758.db2.gz RNLPCNDVNGMJQY-AWEZNQCLSA-N 1 0 322.412 3.346 40 0 DGABRO Cc1ccc(C[C@H]2CCC[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]32)nc1 ZINC000257282379 203009726 /nfs/dbraw/zinc/00/97/26/203009726.db2.gz OTNXTIRYXTZOQX-MBOZVWFJSA-N 1 0 314.473 3.460 40 0 DGABRO Cc1cccc(C[NH+]2CCC(c3cccc4nccn43)CC2)n1 ZINC000257290306 203014670 /nfs/dbraw/zinc/01/46/70/203014670.db2.gz QCIOBPCQDDLUSA-UHFFFAOYSA-N 1 0 306.413 3.417 40 0 DGABRO CCOc1c(Br)cc(Br)cc1C[NH2+]C ZINC000008253298 181540086 /nfs/dbraw/zinc/54/00/86/181540086.db2.gz ABRAIWMNCSTNDT-UHFFFAOYSA-N 1 0 323.028 3.330 40 0 DGABRO C[NH+](C)CCCN(Cc1ccccn1)Cc1cccc(F)c1F ZINC000013990770 181916580 /nfs/dbraw/zinc/91/65/80/181916580.db2.gz ZRLZFWTXIZZQNA-UHFFFAOYSA-N 1 0 319.399 3.314 40 0 DGABRO CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC000019235209 182111134 /nfs/dbraw/zinc/11/11/34/182111134.db2.gz BXVNIWSDYWPLPH-UFYCRDLUSA-N 1 0 312.457 3.041 40 0 DGABRO Cn1nc([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c2cccnc21 ZINC000019289500 182112775 /nfs/dbraw/zinc/11/27/75/182112775.db2.gz NJQRKTSZRYKAJF-OAHLLOKOSA-N 1 0 324.403 3.487 40 0 DGABRO Cc1cc(C)n(-c2cccc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c2)n1 ZINC000019574808 182131335 /nfs/dbraw/zinc/13/13/35/182131335.db2.gz CDDJIMDNYZXHOL-PXNSSMCTSA-N 1 0 324.472 3.158 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(OC)cc1 ZINC000020035784 182182121 /nfs/dbraw/zinc/18/21/21/182182121.db2.gz CMUNXPMAEGPTDA-KRWDZBQOSA-N 1 0 318.461 3.009 40 0 DGABRO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CC[NH2+]CC1 ZINC000021517658 182277872 /nfs/dbraw/zinc/27/78/72/182277872.db2.gz SZLOWJUIUQRRPJ-UHFFFAOYSA-N 1 0 306.715 3.297 40 0 DGABRO COc1ccc([C@@H](c2ccc(Cl)cc2)N2CC[NH2+]CC2)cc1 ZINC000022115356 182309009 /nfs/dbraw/zinc/30/90/09/182309009.db2.gz WQYALBMWJNGHIB-GOSISDBHSA-N 1 0 316.832 3.343 40 0 DGABRO Cc1ccc(NC(=O)COc2cccc(C[NH3+])c2)cc1Cl ZINC000036720787 182837930 /nfs/dbraw/zinc/83/79/30/182837930.db2.gz YPPZQECKCBHACY-UHFFFAOYSA-N 1 0 304.777 3.125 40 0 DGABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccco3)cc2)CC1 ZINC000038849049 183011035 /nfs/dbraw/zinc/01/10/35/183011035.db2.gz VPMQXORZHVYLCU-UHFFFAOYSA-N 1 0 312.413 3.442 40 0 DGABRO COc1ccccc1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000038876232 183012379 /nfs/dbraw/zinc/01/23/79/183012379.db2.gz IIMDWDHVSNNKIC-UHFFFAOYSA-N 1 0 320.433 3.184 40 0 DGABRO CC(C)c1ccc(OCCOC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000040373221 183057413 /nfs/dbraw/zinc/05/74/13/183057413.db2.gz UOMMZFUQBUZERI-GOSISDBHSA-N 1 0 321.461 3.052 40 0 DGABRO [NH2+]=C(Nc1ccc(Cl)cc1)Nc1nc(=O)c2sccc2[nH]1 ZINC000040385334 183059358 /nfs/dbraw/zinc/05/93/58/183059358.db2.gz RIMZYVJWZBMYJM-UHFFFAOYSA-N 1 0 319.777 3.097 40 0 DGABRO C[NH+](C)CCCN(Cc1ccco1)Cc1c[nH]nc1C(C)(C)C ZINC000057810906 184055190 /nfs/dbraw/zinc/05/51/90/184055190.db2.gz DXXWYKSRRQJXKO-UHFFFAOYSA-N 1 0 318.465 3.254 40 0 DGABRO CNc1cc(C)c(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 ZINC000072219080 257124339 /nfs/dbraw/zinc/12/43/39/257124339.db2.gz OECCDVGKDYCBNU-UHFFFAOYSA-N 1 0 321.421 3.309 40 0 DGABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2N2CCOCC2)cc1 ZINC000072216211 257125193 /nfs/dbraw/zinc/12/51/93/257125193.db2.gz NEYRVEFZNJBIQE-LJQANCHMSA-N 1 0 323.440 3.255 40 0 DGABRO CC(C)(C)OC(=O)N1[C@@H]([C@H]([NH3+])c2ccccc2)COC1(C)C ZINC000072208809 257127876 /nfs/dbraw/zinc/12/78/76/257127876.db2.gz OEXNURJONFKAOX-ZIAGYGMSSA-N 1 0 306.406 3.058 40 0 DGABRO CC(C)(C)C(=O)NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000005817149 257218598 /nfs/dbraw/zinc/21/85/98/257218598.db2.gz LMQIFMWDYFIOBR-UHFFFAOYSA-N 1 0 319.474 3.142 40 0 DGABRO CC(C)[NH+]1CCC2(CC1)OCC[C@H]2CCOCc1cccnc1 ZINC000585104300 400125571 /nfs/dbraw/zinc/12/55/71/400125571.db2.gz GYVGPIJWDKSGNP-GOSISDBHSA-N 1 0 318.461 3.268 40 0 DGABRO COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3[NH2+]CCC[C@H]3O[C@@H]21 ZINC000585262800 400130737 /nfs/dbraw/zinc/13/07/37/400130737.db2.gz HGCJAIHWDJBUHZ-KQTLUZQSSA-N 1 0 303.402 3.064 40 0 DGABRO CCCc1cnc(Nc2cc(C)nc(C3CC[NH2+]CC3)n2)s1 ZINC000585263608 400130928 /nfs/dbraw/zinc/13/09/28/400130928.db2.gz UJMNEOYROAYZHO-UHFFFAOYSA-N 1 0 317.462 3.405 40 0 DGABRO O=C(/C=C/c1ccccc1Cl)NCCC[NH+]1CCCCC1 ZINC000010276847 400134080 /nfs/dbraw/zinc/13/40/80/400134080.db2.gz 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ZINC000100385079 431981496 /nfs/dbraw/zinc/98/14/96/431981496.db2.gz NTSVJVRLDPGQJC-ROUUACIJSA-N 1 0 320.392 3.310 40 0 DGABRO COc1cc(C[N@@H+]2CC[C@H](c3nc(C)cc(C)n3)C2)ccc1F ZINC000257213277 432418218 /nfs/dbraw/zinc/41/82/18/432418218.db2.gz CGWANIXBKDOJHL-HNNXBMFYSA-N 1 0 315.392 3.231 40 0 DGABRO Cc1ncc(-c2ccc(C[C@H]3CCC[N@@H+](C(C)C)C3)cn2)n1C ZINC000257208865 432418249 /nfs/dbraw/zinc/41/82/49/432418249.db2.gz BNVXCGBKYCPMJI-QGZVFWFLSA-N 1 0 312.461 3.453 40 0 DGABRO Cn1cc(C[NH+]2CCC(c3cnccn3)CC2)c2ccccc21 ZINC000257215975 432418825 /nfs/dbraw/zinc/41/88/25/432418825.db2.gz CSMQPJVSQGFBKN-UHFFFAOYSA-N 1 0 306.413 3.348 40 0 DGABRO CCn1cc(-c2cncc(CC3CC[NH+](C(C)C)CC3)n2)cn1 ZINC000257222410 432419773 /nfs/dbraw/zinc/41/97/73/432419773.db2.gz DTEOVJZPGVVTOX-UHFFFAOYSA-N 1 0 313.449 3.023 40 0 DGABRO Cn1ncc2ccc([C@@H]3CCC[N@H+](Cc4ccsc4)C3)nc21 ZINC000257222703 432420719 /nfs/dbraw/zinc/42/07/19/432420719.db2.gz DUKAZLRQCFBAAH-OAHLLOKOSA-N 1 0 312.442 3.409 40 0 DGABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000257247154 432422828 /nfs/dbraw/zinc/42/28/28/432422828.db2.gz IXSNAKZCDLXYPK-OAHLLOKOSA-N 1 0 307.401 3.098 40 0 DGABRO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000257261113 432424903 /nfs/dbraw/zinc/42/49/03/432424903.db2.gz LFTJZSRNJRCANO-KRWDZBQOSA-N 1 0 307.401 3.337 40 0 DGABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225692367 432695543 /nfs/dbraw/zinc/69/55/43/432695543.db2.gz CBSDXTDAJDQWSQ-GOSISDBHSA-N 1 0 322.449 3.161 40 0 DGABRO C[NH+]1CCC(NC(=O)CCc2c(Cl)cccc2Cl)CC1 ZINC000225363652 432690275 /nfs/dbraw/zinc/69/02/75/432690275.db2.gz HQPACFUKLPGGSD-UHFFFAOYSA-N 1 0 315.244 3.136 40 0 DGABRO C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC000174773500 298326174 /nfs/dbraw/zinc/32/61/74/298326174.db2.gz OVEKEHTULRJJKX-OAHLLOKOSA-N 1 0 302.462 3.201 40 0 DGABRO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261853168 655676299 /nfs/dbraw/zinc/67/62/99/655676299.db2.gz 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/nfs/dbraw/zinc/13/06/53/191130653.db2.gz COVLPLBAIPZVQC-HNNXBMFYSA-N 1 0 300.377 3.059 40 0 DGABRO Cc1cnc(CCNc2cccc(C[C@H]3CCC[NH2+]C3)n2)s1 ZINC000072365536 191134471 /nfs/dbraw/zinc/13/44/71/191134471.db2.gz HYAUJANMNSUPNU-CQSZACIVSA-N 1 0 316.474 3.043 40 0 DGABRO c1cnc(Nc2nccc([C@@H]3CCC[N@@H+]3C3CCCCC3)n2)cn1 ZINC000072377354 191139095 /nfs/dbraw/zinc/13/90/95/191139095.db2.gz NXGBRVGXGVGITF-INIZCTEOSA-N 1 0 324.432 3.480 40 0 DGABRO CCC[N@@H+]1CC[C@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1 ZINC000072371193 191139481 /nfs/dbraw/zinc/13/94/81/191139481.db2.gz VMUZTLRNBVWVFX-AWEZNQCLSA-N 1 0 317.408 3.370 40 0 DGABRO Cc1cncc([C@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000072369413 191139729 /nfs/dbraw/zinc/13/97/29/191139729.db2.gz UOEHXLGGNAVKGG-SFHVURJKSA-N 1 0 321.424 3.440 40 0 DGABRO c1cn(-c2cccc(C3CC[NH+](Cc4ccccn4)CC3)n2)cn1 ZINC000072379059 191140966 /nfs/dbraw/zinc/14/09/66/191140966.db2.gz ITLAWZCEPFGECG-UHFFFAOYSA-N 1 0 319.412 3.042 40 0 DGABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000072378707 191141756 /nfs/dbraw/zinc/14/17/56/191141756.db2.gz PJYRQTVLCNXEEW-INIZCTEOSA-N 1 0 311.433 3.304 40 0 DGABRO Cc1cccc(Nc2cc(C)nc([C@H]3CC[N@@H+](C(C)C)C3)n2)n1 ZINC000072382382 191142787 /nfs/dbraw/zinc/14/27/87/191142787.db2.gz SFOQGSXWIXBJIT-HNNXBMFYSA-N 1 0 311.433 3.430 40 0 DGABRO CCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCC(C)C ZINC000072658626 191209814 /nfs/dbraw/zinc/20/98/14/191209814.db2.gz CGSYJENPOMPQKB-MRXNPFEDSA-N 1 0 307.434 3.389 40 0 DGABRO C[C@H]1CCCC(C)(C)[C@@H]1[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001711728 180890590 /nfs/dbraw/zinc/89/05/90/180890590.db2.gz RQBCMASLXMHIPZ-XJKSGUPXSA-N 1 0 304.434 3.230 40 0 DGABRO CCOc1ccccc1C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000004700583 181139116 /nfs/dbraw/zinc/13/91/16/181139116.db2.gz DFTRMDUORWUEAC-UHFFFAOYSA-N 1 0 315.413 3.435 40 0 DGABRO O=C(C[NH2+]Cc1cccs1)Nc1ccc(N2CCCC2)cc1 ZINC000004896258 181169681 /nfs/dbraw/zinc/16/96/81/181169681.db2.gz SEOVCBIORJLBQJ-UHFFFAOYSA-N 1 0 315.442 3.077 40 0 DGABRO CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1[NH2+]C1CCCCC1 ZINC000067889751 432045433 /nfs/dbraw/zinc/04/54/33/432045433.db2.gz VXNADRFBLZTNGC-DYVFJYSZSA-N 1 0 306.450 3.089 40 0 biogenic,in-vitro DGABRO C[NH+](C)CCCNC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000005524885 181253369 /nfs/dbraw/zinc/25/33/69/181253369.db2.gz ZNDJJTNGDDVEDY-FNORWQNLSA-N 1 0 301.217 3.075 40 0 DGABRO C/C(=C\c1ccccc1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000179392878 432056340 /nfs/dbraw/zinc/05/63/40/432056340.db2.gz FXAHLQBSOXTZEC-POLXVDLBSA-N 1 0 314.473 3.277 40 0 DGABRO COc1ccc2cc(-c3noc(C4CC[NH2+]CC4)n3)ccc2c1 ZINC000199783734 201425785 /nfs/dbraw/zinc/42/57/85/201425785.db2.gz BQIVZIHBMZJBMK-UHFFFAOYSA-N 1 0 309.369 3.365 40 0 DGABRO O=C(OCc1ccccc1)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC000091303110 193035538 /nfs/dbraw/zinc/03/55/38/193035538.db2.gz AGAPVQPPVREENV-KRWDZBQOSA-N 1 0 302.418 3.177 40 0 DGABRO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)c1cc2ccccc2[nH]1 ZINC000257258757 202991659 /nfs/dbraw/zinc/99/16/59/202991659.db2.gz KVKCHHOLXGGEIH-XBQLCILLSA-N 1 0 323.440 3.303 40 0 DGABRO CC(=O)N1[C@@H]2CCCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257307953 203031588 /nfs/dbraw/zinc/03/15/88/203031588.db2.gz TUWFRKSYMJTDFC-FSGKZVOOSA-N 1 0 312.457 3.139 40 0 DGABRO CNc1nc([C@H]2CCC[N@H+](Cc3cccnc3)C2)cn2cccc12 ZINC000257308425 203032853 /nfs/dbraw/zinc/03/28/53/203032853.db2.gz TWQWVMIWOGSXQM-INIZCTEOSA-N 1 0 321.428 3.151 40 0 DGABRO c1c[nH]c(-c2cnc(C[C@H]3CC[N@@H+](C4CCCCC4)C3)cn2)n1 ZINC000257280110 203008588 /nfs/dbraw/zinc/00/85/88/203008588.db2.gz OJMCKIQIANXAEX-CQSZACIVSA-N 1 0 311.433 3.064 40 0 DGABRO Cn1cnc(C[N@@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)c1 ZINC000257284863 203011982 /nfs/dbraw/zinc/01/19/82/203011982.db2.gz PEQKWAVKXRZRLM-OAHLLOKOSA-N 1 0 306.413 3.033 40 0 DGABRO Cc1cn(C)c([C@@H]2C[N@H+](Cc3cccc4ccccc43)CCO2)n1 ZINC000257290860 203015497 /nfs/dbraw/zinc/01/54/97/203015497.db2.gz QEQDGDHFGLXQHD-IBGZPJMESA-N 1 0 321.424 3.455 40 0 DGABRO c1ccc(C[NH+]2CCC3(CO[C@H](Cc4cccnc4)C3)CC2)nc1 ZINC000257330061 203054052 /nfs/dbraw/zinc/05/40/52/203054052.db2.gz XMPQESUFSGVUQJ-LJQANCHMSA-N 1 0 323.440 3.090 40 0 DGABRO COc1cc(C[N@@H+]2CCC[C@H](c3nc(C)c[nH]3)C2)cc(OC)c1 ZINC000257312736 203036241 /nfs/dbraw/zinc/03/62/41/203036241.db2.gz UPIBETMQFQCLHB-HNNXBMFYSA-N 1 0 315.417 3.115 40 0 DGABRO c1c(-c2ccccc2)nc2n1C[C@H](C[NH2+]Cc1ccccc1)OC2 ZINC000096296289 193611537 /nfs/dbraw/zinc/61/15/37/193611537.db2.gz AGRASPSJWNILAO-SFHVURJKSA-N 1 0 319.408 3.239 40 0 biogenic,in-vitro DGABRO Cc1ccc(S[C@H](C)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000013670595 181876075 /nfs/dbraw/zinc/87/60/75/181876075.db2.gz NXDIFVNIZSSWSA-OAHLLOKOSA-N 1 0 306.475 3.078 40 0 DGABRO Cc1ccc(/C=C/C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000013669959 181875574 /nfs/dbraw/zinc/87/55/74/181875574.db2.gz PNNWHGKYQGGHDC-VAWYXSNFSA-N 1 0 300.446 3.391 40 0 DGABRO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](C2CCCCC2)C1 ZINC000015674083 182011817 /nfs/dbraw/zinc/01/18/17/182011817.db2.gz PFOLHGWYTDGPTL-CVEARBPZSA-N 1 0 313.401 3.177 40 0 biogenic,in-vitro DGABRO Cn1nc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)c2cccnc21 ZINC000019289501 182112786 /nfs/dbraw/zinc/11/27/86/182112786.db2.gz NJQRKTSZRYKAJF-HNNXBMFYSA-N 1 0 324.403 3.487 40 0 DGABRO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000019359855 182118833 /nfs/dbraw/zinc/11/88/33/182118833.db2.gz RNNMSKIARPGIKI-QHAWAJNXSA-N 1 0 310.485 3.449 40 0 DGABRO C[NH+](C)CCCNc1nc(-c2ccncc2)cc2ncccc21 ZINC000019582398 182131924 /nfs/dbraw/zinc/13/19/24/182131924.db2.gz GFGGJAVDLZKGOZ-UHFFFAOYSA-N 1 0 307.401 3.055 40 0 DGABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccco3)cc2)C1 ZINC000020107422 182187722 /nfs/dbraw/zinc/18/77/22/182187722.db2.gz IHTFROIACGJGCT-HNNXBMFYSA-N 1 0 312.413 3.442 40 0 DGABRO CN(C)CC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000022075305 182307522 /nfs/dbraw/zinc/30/75/22/182307522.db2.gz QNPGCGQCJIGSNX-UHFFFAOYSA-N 1 0 302.393 3.056 40 0 DGABRO Cc1ccc(-c2nc3cc(C)ccn3c2CN2CC[NH2+]CC2)cc1 ZINC000022465179 182323190 /nfs/dbraw/zinc/32/31/90/182323190.db2.gz DADQFHORMDFLTE-UHFFFAOYSA-N 1 0 320.440 3.023 40 0 DGABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC000100809414 193804536 /nfs/dbraw/zinc/80/45/36/193804536.db2.gz SCZMLPAFUIAMKW-OKILXGFUSA-N 1 0 305.422 3.007 40 0 DGABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000054148121 183926859 /nfs/dbraw/zinc/92/68/59/183926859.db2.gz QPCFQJGWIQATFQ-OAHLLOKOSA-N 1 0 318.461 3.096 40 0 DGABRO Cc1cc([C@H]2CCCN2C(=O)OCc2ccccc2)cnc1N ZINC000072218436 257124029 /nfs/dbraw/zinc/12/40/29/257124029.db2.gz VRLKZPJWNKZENU-MRXNPFEDSA-N 1 0 311.385 3.446 40 0 DGABRO C[C@@H]1CN([C@H](C[NH3+])c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000021809535 257129839 /nfs/dbraw/zinc/12/98/39/257129839.db2.gz SUZPBBSUTBAACQ-ISTVAULSSA-N 1 0 303.233 3.102 40 0 DGABRO O[C@H](c1ccccc1)[C@@H](O)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001690373 285360399 /nfs/dbraw/zinc/36/03/99/285360399.db2.gz NVPXWDVMTNNNKE-ZCNNSNEGSA-N 1 0 311.425 3.308 40 0 DGABRO C[C@H](CN1c2ccccc2S(=O)c2ccccc21)[NH+](C)C ZINC000001849516 134447796 /nfs/dbraw/zinc/44/77/96/134447796.db2.gz OWTCLFIFAFHQIX-CYBMUJFWSA-N 1 0 300.427 3.255 40 0 in-vitro DGABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccc(F)c1)CC2 ZINC000585100834 400125139 /nfs/dbraw/zinc/12/51/39/400125139.db2.gz YMGBZGXJAIDILK-GOSISDBHSA-N 1 0 304.409 3.193 40 0 DGABRO CC(C)[NH+]1CCC2(CC1)OCC[C@@H]2CCOCc1cccnc1 ZINC000585104302 400125386 /nfs/dbraw/zinc/12/53/86/400125386.db2.gz GYVGPIJWDKSGNP-SFHVURJKSA-N 1 0 318.461 3.268 40 0 DGABRO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@@H+]2CCc1ccccc1 ZINC000019712369 400186010 /nfs/dbraw/zinc/18/60/10/400186010.db2.gz XBLLTWBUQINWBT-RBUKOAKNSA-N 1 0 300.446 3.095 40 0 DGABRO c1ccc(Nc2cccc(C[C@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)n2)nc1 ZINC000585263301 400129975 /nfs/dbraw/zinc/12/99/75/400129975.db2.gz VMPPXGNJFDRMKC-BFYDXBDKSA-N 1 0 308.429 3.398 40 0 DGABRO Cc1cnc(Nc2cccc(C[C@H]3CC[C@@H]4C[NH2+]C[C@H]34)n2)s1 ZINC000585263370 400130812 /nfs/dbraw/zinc/13/08/12/400130812.db2.gz XJSYSENTOAOCDX-UMVBOHGHSA-N 1 0 314.458 3.378 40 0 DGABRO C[N@H+]([C@H]1CC[C@H](Oc2cccc(F)c2)[C@@H]1O)C1CCCCC1 ZINC000585284362 400130825 /nfs/dbraw/zinc/13/08/25/400130825.db2.gz KLBNIDGKFCLNOQ-OKZBNKHCSA-N 1 0 307.409 3.361 40 0 DGABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C)c1 ZINC000019712156 400186262 /nfs/dbraw/zinc/18/62/62/400186262.db2.gz BAXOGCVLEAWGKG-MOPGFXCFSA-N 1 0 300.446 3.360 40 0 DGABRO CCCCNC(=O)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000042133855 400424937 /nfs/dbraw/zinc/42/49/37/400424937.db2.gz LEFXRSALKGRLNB-UHFFFAOYSA-N 1 0 302.462 3.248 40 0 DGABRO CCOC(=O)[C@@H](CN)[C@]1([NH+](CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351787 400948449 /nfs/dbraw/zinc/94/84/49/400948449.db2.gz OCKDPBVSIVVMTJ-QGWWYQLQSA-N 1 0 324.509 3.051 40 0 DGABRO CC[C@H](OC[C@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC000253374753 401098656 /nfs/dbraw/zinc/09/86/56/401098656.db2.gz NKYWMAGCRMHOMJ-DKKFBQAASA-N 1 0 305.462 3.493 40 0 DGABRO c1cncc(C[NH+]2CCC3(C[C@H](c4cccnc4)CO3)CC2)c1 ZINC000096220295 275073983 /nfs/dbraw/zinc/07/39/83/275073983.db2.gz WMLXJARNVGMSQI-SFHVURJKSA-N 1 0 309.413 3.015 40 0 DGABRO c1coc(C[N@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306125083 275074901 /nfs/dbraw/zinc/07/49/01/275074901.db2.gz CGJWHTIQXRFTRA-SJORKVTESA-N 1 0 319.408 3.447 40 0 DGABRO CC1(C)[C@H]2C[C@@H]1C([C@@H]1NC(=[NH2+])Nc3nc4ccccc4n31)=CC2 ZINC000007738556 276165592 /nfs/dbraw/zinc/16/55/92/276165592.db2.gz NPWRIMCTAVGORR-IXPVHAAZSA-N 1 0 307.401 3.077 40 0 DGABRO C[C@@H]1CN([C@H](C[NH3+])c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000108350276 431132644 /nfs/dbraw/zinc/13/26/44/431132644.db2.gz XKHZFFVTORRINN-GPCCPHFNSA-N 1 0 303.233 3.102 40 0 DGABRO CN(C)C(=O)C(CC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001655395 431233115 /nfs/dbraw/zinc/23/31/15/431233115.db2.gz PCDNISCTQCOCTC-UHFFFAOYSA-N 1 0 310.441 3.013 40 0 DGABRO CCN(CC)CC(C[NH+](CC)CC)OC(=O)Nc1ccccc1 ZINC000001667343 431234825 /nfs/dbraw/zinc/23/48/25/431234825.db2.gz GTJDSQPCRHWJGK-UHFFFAOYSA-N 1 0 321.465 3.287 40 0 DGABRO CC(C)[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000004230592 431298001 /nfs/dbraw/zinc/29/80/01/431298001.db2.gz XIBGVCAWTKMPPU-QGZVFWFLSA-N 1 0 313.449 3.150 40 0 DGABRO COC1=C2CC[C@H]3c4cc(OC)c(OC)cc4CC[N+]3=C2CC1 ZINC000006483871 431315656 /nfs/dbraw/zinc/31/56/56/431315656.db2.gz WETFZOPPAPSRFR-INIZCTEOSA-N 1 0 314.405 3.243 40 0 DGABRO C[NH+](C)CCCNCc1ccc(OCc2cccs2)cc1 ZINC000007523971 431354305 /nfs/dbraw/zinc/35/43/05/431354305.db2.gz GOJQPLNAPMTLMN-UHFFFAOYSA-N 1 0 304.459 3.368 40 0 DGABRO CC[C@H](CO)[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000008337146 431394270 /nfs/dbraw/zinc/39/42/70/431394270.db2.gz FLBPBBLGPXHSPS-MRXNPFEDSA-N 1 0 303.377 3.265 40 0 DGABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000008337076 431394460 /nfs/dbraw/zinc/39/44/60/431394460.db2.gz WACZRYDVZAAEEL-CQSZACIVSA-N 1 0 321.442 3.196 40 0 DGABRO c1ccc2c(c1)C[N@@H+](Cc1cccnc1)CC1(CCOCC1)O2 ZINC000012088436 431491634 /nfs/dbraw/zinc/49/16/34/431491634.db2.gz GVDIEWIQQDRRBV-UHFFFAOYSA-N 1 0 310.397 3.025 40 0 DGABRO CCn1cc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)c(C)n1 ZINC000012344378 431502387 /nfs/dbraw/zinc/50/23/87/431502387.db2.gz XPPVGZULJDWSAM-UHFFFAOYSA-N 1 0 313.445 3.003 40 0 DGABRO CCc1cccc2cc(C[NH2+]CCc3ccccc3)c(=O)[nH]c21 ZINC000013566545 431559846 /nfs/dbraw/zinc/55/98/46/431559846.db2.gz QZCVBMUKTLPNEK-UHFFFAOYSA-N 1 0 306.409 3.423 40 0 DGABRO Cc1cccc(O[C@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000013670229 431564289 /nfs/dbraw/zinc/56/42/89/431564289.db2.gz QMNPXHDPZQLKHP-QGZVFWFLSA-N 1 0 318.461 3.001 40 0 DGABRO CC(C)[C@@](CC[N@@H+]1CCCC1(C)C)(C(N)=O)c1ccccc1 ZINC000005963289 280118935 /nfs/dbraw/zinc/11/89/35/280118935.db2.gz LIKKWSOVYMHVCH-LJQANCHMSA-N 1 0 302.462 3.330 40 0 DGABRO COc1ccccc1C[NH2+]Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013999131 431575603 /nfs/dbraw/zinc/57/56/03/431575603.db2.gz QQMMCDYTSJANKG-UHFFFAOYSA-N 1 0 322.408 3.443 40 0 DGABRO C[C@@H]1C[N@@H+](Cc2c3cccnc3[nH]c2[C@H]2CCCO2)C[C@H](C)O1 ZINC000019497532 431618852 /nfs/dbraw/zinc/61/88/52/431618852.db2.gz KQZPATQNVMNTKR-DVOMOZLQSA-N 1 0 315.417 3.024 40 0 DGABRO O=C1N[C@@]2(CC[N@H+](Cc3ccccc3)C2)CCc2ccccc21 ZINC000019371888 431618941 /nfs/dbraw/zinc/61/89/41/431618941.db2.gz HXKIYFMECACYHW-HXUWFJFHSA-N 1 0 306.409 3.007 40 0 DGABRO Cc1cc([C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(C)s1 ZINC000019567910 431619831 /nfs/dbraw/zinc/61/98/31/431619831.db2.gz MSIYAKUMDQBDDZ-GOSISDBHSA-N 1 0 316.470 3.221 40 0 DGABRO C[C@H]1C[NH+](Cc2c3cccnc3[nH]c2[C@H]2CCCO2)C[C@H](C)O1 ZINC000019497533 431619853 /nfs/dbraw/zinc/61/98/53/431619853.db2.gz KQZPATQNVMNTKR-HEHGZKQESA-N 1 0 315.417 3.024 40 0 DGABRO CC[NH+](CC)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000031847875 431765558 /nfs/dbraw/zinc/76/55/58/431765558.db2.gz XATOAGXTUPPXKZ-UHFFFAOYSA-N 1 0 310.397 3.168 40 0 DGABRO CC(=O)N1CCc2ccccc2[C@H]1[C@@H]1[NH2+]CCc2ccccc21 ZINC000031750741 431763565 /nfs/dbraw/zinc/76/35/65/431763565.db2.gz AVKSIFQMKNTASD-UXHICEINSA-N 1 0 306.409 3.019 40 0 DGABRO O=C(Cc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032461928 431779488 /nfs/dbraw/zinc/77/94/88/431779488.db2.gz JJXVLXGPWSMDFO-UHFFFAOYSA-N 1 0 308.425 3.141 40 0 DGABRO Cc1nc[nH]c1C[N@H+](CCCn1ccnc1)C[C@@H]1CC=CCC1 ZINC000036740227 431840565 /nfs/dbraw/zinc/84/05/65/431840565.db2.gz BRIUKQFBOKAZQA-QGZVFWFLSA-N 1 0 313.449 3.163 40 0 DGABRO Cc1cc(Cl)ccc1NC(=O)COc1cccc(C[NH3+])c1 ZINC000036720781 431840680 /nfs/dbraw/zinc/84/06/80/431840680.db2.gz WOFFZYHZDMAGAC-UHFFFAOYSA-N 1 0 304.777 3.125 40 0 DGABRO Cc1nc[nH]c1C[N@H+](CCCn1ccnc1)C[C@H]1CC=CCC1 ZINC000036740226 431841097 /nfs/dbraw/zinc/84/10/97/431841097.db2.gz BRIUKQFBOKAZQA-KRWDZBQOSA-N 1 0 313.449 3.163 40 0 DGABRO C[C@@H]1CN([C@@H](C[NH3+])c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000037424741 431847095 /nfs/dbraw/zinc/84/70/95/431847095.db2.gz XKHZFFVTORRINN-RULNRJAQSA-N 1 0 303.233 3.102 40 0 DGABRO CC(C)(C)OC(=O)NCC1(Cc2ccccc2)CC[NH2+]CC1 ZINC000096029500 431934664 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CN1CCC([N@@H+]2CC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000049168946 431936776 /nfs/dbraw/zinc/93/67/76/431936776.db2.gz PBSBCXYHRUNEQA-ZDUSSCGKSA-N 1 0 301.459 3.180 40 0 biogenic,in-vitro DGABRO O=C1N(CC2CC2)CCC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096071156 431936791 /nfs/dbraw/zinc/93/67/91/431936791.db2.gz NKPQRQZYHPANEM-UHFFFAOYSA-N 1 0 316.420 3.050 40 0 DGABRO O=C(c1ccco1)N1C[C@H]2CCC[N@H+](Cc3cccs3)[C@H]2C1 ZINC000096054181 431936851 /nfs/dbraw/zinc/93/68/51/431936851.db2.gz PREYUXSRFVAGLC-HIFRSBDPSA-N 1 0 316.426 3.078 40 0 DGABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccco3)C[C@@H]12 ZINC000096058439 431937033 /nfs/dbraw/zinc/93/70/33/431937033.db2.gz NAGKLTBGSVUZON-WOJBJXKFSA-N 1 0 324.424 3.044 40 0 DGABRO c1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169640 431937462 /nfs/dbraw/zinc/93/74/62/431937462.db2.gz JEDHMSSOFQFYJH-INIZCTEOSA-N 1 0 306.369 3.121 40 0 biogenic,in-vitro DGABRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccco3)C2)C1=O ZINC000096100292 431938207 /nfs/dbraw/zinc/93/82/07/431938207.db2.gz BIXZCABVYXZFFJ-HXUWFJFHSA-N 1 0 324.424 3.426 40 0 DGABRO c1ccc(O[C@H]2COC3(C2)CC[NH+](Cc2ccccn2)CC3)cc1 ZINC000096073188 431938300 /nfs/dbraw/zinc/93/83/00/431938300.db2.gz CPIPEMMBHWFQAW-LJQANCHMSA-N 1 0 324.424 3.284 40 0 DGABRO Cc1nc(CO[C@H]2CO[C@@]3(CC[N@H+](CC4CCC4)C3)C2)cs1 ZINC000096072408 431938303 /nfs/dbraw/zinc/93/83/03/431938303.db2.gz IXBCUGMTJCVEON-SJORKVTESA-N 1 0 322.474 3.002 40 0 DGABRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1ccco1)C2 ZINC000096100315 431938319 /nfs/dbraw/zinc/93/83/19/431938319.db2.gz WIJYZUKIJMIWGV-HXUWFJFHSA-N 1 0 322.408 3.180 40 0 DGABRO COC[C@H]1COCCC12CC[NH+](Cc1ccccc1F)CC2 ZINC000096106315 431938949 /nfs/dbraw/zinc/93/89/49/431938949.db2.gz QWQSPCGYEGBALI-INIZCTEOSA-N 1 0 307.409 3.091 40 0 DGABRO Cc1ncsc1C[N@@H+]1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC000096107258 431939023 /nfs/dbraw/zinc/93/90/23/431939023.db2.gz UZTNJFMVYIAJIE-WBVHZDCISA-N 1 0 322.474 3.002 40 0 DGABRO c1cn2c(n1)CN(Cc1ccsc1)C[C@H](COCC1CC1)C2 ZINC000096187881 431941560 /nfs/dbraw/zinc/94/15/60/431941560.db2.gz OWYHGNNXTNZTAG-INIZCTEOSA-N 1 0 317.458 3.003 40 0 DGABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1cccs1)[C@H]2C ZINC000096201197 431942287 /nfs/dbraw/zinc/94/22/87/431942287.db2.gz VGCPGCZZAOOIQF-AWEZNQCLSA-N 1 0 318.490 3.362 40 0 DGABRO c1ccc(N[C@@H]2CCO[C@]3(CC[N@@H+](C4CCCC4)C3)C2)nc1 ZINC000096206488 431942311 /nfs/dbraw/zinc/94/23/11/431942311.db2.gz WOAQSLUXIDPQIJ-CRAIPNDOSA-N 1 0 301.434 3.060 40 0 DGABRO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccccc1)CC2 ZINC000096209263 431942385 /nfs/dbraw/zinc/94/23/85/431942385.db2.gz RSUWJLSLVOVJAW-GOSISDBHSA-N 1 0 303.446 3.342 40 0 DGABRO CCC(=O)N1CCC2(C[C@@H]([NH+](C)C)c3ccc(C)cc32)CC1 ZINC000096241750 431942689 /nfs/dbraw/zinc/94/26/89/431942689.db2.gz QQZYMTISPINUMW-QGZVFWFLSA-N 1 0 300.446 3.272 40 0 DGABRO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215832 431942834 /nfs/dbraw/zinc/94/28/34/431942834.db2.gz QRUMDJVNZUFVSN-QGZVFWFLSA-N 1 0 307.507 3.477 40 0 DGABRO CC[N@@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)NCc1cccs1 ZINC000096252231 431943391 /nfs/dbraw/zinc/94/33/91/431943391.db2.gz GRROGTSHTFHEIL-MZBDJJRSSA-N 1 0 306.475 3.122 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCN(CC4CC4)[C@@H]3CC2)s1 ZINC000096249304 431943455 /nfs/dbraw/zinc/94/34/55/431943455.db2.gz BIMIPXCXRUOKAD-QZTJIDSGSA-N 1 0 320.502 3.132 40 0 DGABRO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]21 ZINC000096251696 431944000 /nfs/dbraw/zinc/94/40/00/431944000.db2.gz AITYBBKTZHCYPH-UFYCRDLUSA-N 1 0 324.472 3.031 40 0 DGABRO CC[C@@H](C)[N@@H+]1CCc2nc(NC(C)C)nc(NC3CC3)c2C1 ZINC000096254186 431944235 /nfs/dbraw/zinc/94/42/35/431944235.db2.gz CXDBEVBUMKMSCT-GFCCVEGCSA-N 1 0 303.454 3.028 40 0 DGABRO [NH3+]C[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000100768864 431982463 /nfs/dbraw/zinc/98/24/63/431982463.db2.gz FMQDMQUOYGUJQW-BPQIPLTHSA-N 1 0 300.446 3.158 40 0 DGABRO C[NH+](C)CC[C@@H]1CN(Cc2cccc(Cl)c2)Cc2cncn21 ZINC000248069367 432265425 /nfs/dbraw/zinc/26/54/25/432265425.db2.gz AQUBMGKXPQOTMY-MRXNPFEDSA-N 1 0 318.852 3.045 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)o1 ZINC000248073878 432266048 /nfs/dbraw/zinc/26/60/48/432266048.db2.gz GXHKPNLWTZSUHT-GOEBONIOSA-N 1 0 317.458 3.141 40 0 DGABRO Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cccs3)C2)[nH+]1 ZINC000257199587 432416493 /nfs/dbraw/zinc/41/64/93/432416493.db2.gz AAAJLDMBFADSRZ-ZDUSSCGKSA-N 1 0 315.442 3.147 40 0 DGABRO Cc1nn(C)c(C)c1C[NH+]1CCC(Cc2ccnc(C)c2)CC1 ZINC000257211229 432419222 /nfs/dbraw/zinc/41/92/22/432419222.db2.gz BYABEDSWASZEGC-UHFFFAOYSA-N 1 0 312.461 3.195 40 0 DGABRO Cc1nn(C)c(C)c1C[NH+]1CCC(C)(c2nccs2)CC1 ZINC000257202929 432419235 /nfs/dbraw/zinc/41/92/35/432419235.db2.gz ANXJDEHVKLDKMW-UHFFFAOYSA-N 1 0 304.463 3.047 40 0 DGABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257233914 432419979 /nfs/dbraw/zinc/41/99/79/432419979.db2.gz GRIQROMFGDIMSR-KRWDZBQOSA-N 1 0 315.442 3.116 40 0 DGABRO CC[N@@H+]1CC[C@H](c2cc(Nc3nc(C)c(C)s3)nc(C)n2)C1 ZINC000257225309 432420308 /nfs/dbraw/zinc/42/03/08/432420308.db2.gz FFRQRMCAKKUGRK-ZDUSSCGKSA-N 1 0 317.462 3.411 40 0 DGABRO Cc1cc2nccc(C3CC[NH+](CCC(F)(F)F)CC3)n2n1 ZINC000257232696 432420457 /nfs/dbraw/zinc/42/04/57/432420457.db2.gz GMACOXMEMPMCLB-UHFFFAOYSA-N 1 0 312.339 3.170 40 0 DGABRO CC(C)n1nccc1C[NH+]1CCC(C)(c2nccs2)CC1 ZINC000257247673 432422530 /nfs/dbraw/zinc/42/25/30/432422530.db2.gz IZZWYCFTLOLUNJ-UHFFFAOYSA-N 1 0 304.463 3.474 40 0 DGABRO Nc1nccc([C@@H]2CCCC[N@@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000257251253 432422996 /nfs/dbraw/zinc/42/29/96/432422996.db2.gz JPZVXKQCAKKTAO-KRWDZBQOSA-N 1 0 307.401 3.267 40 0 DGABRO [NH3+]C[C@H]1CC[C@H](C(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000257316451 432424256 /nfs/dbraw/zinc/42/42/56/432424256.db2.gz VFQIHCZEKIVMNH-SNRMKQJTSA-N 1 0 323.440 3.052 40 0 DGABRO CC(C)[N@@H+]1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1F ZINC000257293280 432424838 /nfs/dbraw/zinc/42/48/38/432424838.db2.gz QOVZCLXSVXLMPR-WMZOPIPTSA-N 1 0 304.409 3.190 40 0 DGABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000257258938 432425358 /nfs/dbraw/zinc/42/53/58/432425358.db2.gz KWEGSWXOLJTTNQ-FQEVSTJZSA-N 1 0 323.440 3.097 40 0 DGABRO O=C(c1ccccc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000264224507 432627731 /nfs/dbraw/zinc/62/77/31/432627731.db2.gz WMCJMWZPZQPWSP-UHFFFAOYSA-N 1 0 320.436 3.350 40 0 DGABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2cccc(F)c2)C1 ZINC000225728419 432695676 /nfs/dbraw/zinc/69/56/76/432695676.db2.gz VDBOTHRHRAPMRI-KBPBESRZSA-N 1 0 323.481 3.480 40 0 DGABRO Cc1cccnc1NC(=S)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225731567 432695853 /nfs/dbraw/zinc/69/58/53/432695853.db2.gz HTBMTWOFDIBXIQ-OKILXGFUSA-N 1 0 320.506 3.044 40 0 DGABRO Fc1ccccc1CN1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000222327618 432671422 /nfs/dbraw/zinc/67/14/22/432671422.db2.gz MPKNCPVSEPNVPJ-LZLYRXPVSA-N 1 0 300.421 3.156 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(OC)c(F)c1 ZINC000225393231 432689662 /nfs/dbraw/zinc/68/96/62/432689662.db2.gz SDWUJUKHWUNPDM-HNNXBMFYSA-N 1 0 322.424 3.219 40 0 DGABRO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCC[N@H+]2C(C)C)n1 ZINC000072382647 293343896 /nfs/dbraw/zinc/34/38/96/293343896.db2.gz XSOJXSHZCIIYRI-HNNXBMFYSA-N 1 0 312.421 3.254 40 0 DGABRO Cc1cc(N2Cc3ccccc3CC2(C)C)nc(NC(C)C)[nH+]1 ZINC000328965618 434334702 /nfs/dbraw/zinc/33/47/02/434334702.db2.gz CEORIHHXAAVQIH-UHFFFAOYSA-N 1 0 310.445 3.947 40 0 DGABRO CCNc1nc(N2Cc3ccccc3CC2(C)C)cc(CC)[nH+]1 ZINC000328963034 434335685 /nfs/dbraw/zinc/33/56/85/434335685.db2.gz BLYKEZDIEMQKKK-UHFFFAOYSA-N 1 0 310.445 3.812 40 0 DGABRO CC(C)Nc1nc(NCc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329004792 434338919 /nfs/dbraw/zinc/33/89/19/434338919.db2.gz KTROYCWZTIMLHH-UHFFFAOYSA-N 1 0 316.836 3.284 40 0 DGABRO COc1ccc2c(c1)CCN(c1cc(NC(C)C)[nH+]c(C)n1)C2 ZINC000329067959 434355269 /nfs/dbraw/zinc/35/52/69/434355269.db2.gz YKWVAXYZPCGFCE-UHFFFAOYSA-N 1 0 312.417 3.177 40 0 DGABRO COc1ccc(-c2noc(C3CC[NH2+]CC3)n2)c2ccccc12 ZINC000199783667 563914478 /nfs/dbraw/zinc/91/44/78/563914478.db2.gz SJSJRGMAIZOKJC-UHFFFAOYSA-N 1 0 309.369 3.365 40 0 DGABRO COc1ccc(CC[NH2+]Cc2cn(C(C)C)nc2C)cc1OC ZINC000256053912 575207785 /nfs/dbraw/zinc/20/77/85/575207785.db2.gz UDIYCZXSBBWHCG-UHFFFAOYSA-N 1 0 317.433 3.122 40 0 DGABRO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261853175 657139380 /nfs/dbraw/zinc/13/93/80/657139380.db2.gz JRVAJMLWXOTGEG-YOEHRIQHSA-N 1 0 318.461 3.479 40 0 DGABRO C[NH2+]C1CCC(N(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000079437923 185171369 /nfs/dbraw/zinc/17/13/69/185171369.db2.gz FBVFIVBMNRYTNA-UHFFFAOYSA-N 1 0 302.418 3.318 40 0 DGABRO c1ccc(CNc2ncc3c(n2)CC[C@H]([NH2+]C2CCCC2)C3)cc1 ZINC000306137765 231089141 /nfs/dbraw/zinc/08/91/41/231089141.db2.gz RFMCYYGJWLDUGM-SFHVURJKSA-N 1 0 322.456 3.478 40 0 DGABRO CC[C@H](C)Nc1nc(NCc2cccc(C)c2)cc(C2CC2)[nH+]1 ZINC000328971291 529702568 /nfs/dbraw/zinc/70/25/68/529702568.db2.gz DPYPSWIKFQXREU-AWEZNQCLSA-N 1 0 310.445 3.329 40 0 DGABRO C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccn1 ZINC000072203889 191075433 /nfs/dbraw/zinc/07/54/33/191075433.db2.gz OQBKQIPWYLIFHE-CYBMUJFWSA-N 1 0 305.422 3.132 40 0 DGABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225606252 186282811 /nfs/dbraw/zinc/28/28/11/186282811.db2.gz ZBOIYEIJHXGVPV-GOSISDBHSA-N 1 0 322.449 3.017 40 0 DGABRO CCCn1c2ccccc2nc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000072324673 191123514 /nfs/dbraw/zinc/12/35/14/191123514.db2.gz XIXUFCARCVYXMU-CVEARBPZSA-N 1 0 312.461 3.115 40 0 DGABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(Br)cs1 ZINC000072324484 191123186 /nfs/dbraw/zinc/12/31/86/191123186.db2.gz LNGDNWLXNOTMMA-CMPLNLGQSA-N 1 0 315.280 3.179 40 0 DGABRO c1cn(-c2cccc(C3CC[NH+](Cc4cccnc4)CC3)n2)cn1 ZINC000072379069 191140890 /nfs/dbraw/zinc/14/08/90/191140890.db2.gz JLQDSFAYWYQBQN-UHFFFAOYSA-N 1 0 319.412 3.042 40 0 DGABRO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072378631 191141035 /nfs/dbraw/zinc/14/10/35/191141035.db2.gz OQIHWLWWVWWJAW-GOSISDBHSA-N 1 0 319.412 3.308 40 0 DGABRO COc1ccc2cc(CNc3ccc(N(C)C)cc3)c(=O)[nH]c2c1 ZINC000072396076 191148809 /nfs/dbraw/zinc/14/88/09/191148809.db2.gz HTMDNCQYXJBJIA-UHFFFAOYSA-N 1 0 323.396 3.215 40 0 DGABRO COC(=O)c1cc(Cl)ccc1NC[C@@H]([NH3+])c1ccccc1 ZINC000001611141 180878429 /nfs/dbraw/zinc/87/84/29/180878429.db2.gz ANXVXWZPNGQZLG-CQSZACIVSA-N 1 0 304.777 3.239 40 0 DGABRO CC(=O)N(CCC[NH+](C)C)c1nc(-c2ccc(F)cc2)cs1 ZINC000004215024 181085510 /nfs/dbraw/zinc/08/55/10/181085510.db2.gz LLHRUUABGFMQOK-UHFFFAOYSA-N 1 0 321.421 3.254 40 0 DGABRO CCCCCOC(=O)c1ccc(NC(=O)C[NH2+]CCCC)cc1 ZINC000004792392 181152362 /nfs/dbraw/zinc/15/23/62/181152362.db2.gz PKONURKSTYPEOW-UHFFFAOYSA-N 1 0 320.433 3.362 40 0 DGABRO COc1cc(CN2CCC([NH+]3CCCCC3)CC2)cc(OC)c1 ZINC000004904183 181170724 /nfs/dbraw/zinc/17/07/24/181170724.db2.gz BAEUDDWMYJKATI-UHFFFAOYSA-N 1 0 318.461 3.154 40 0 DGABRO C[C@H]1CCC[N@H+](CCCNC(=O)Cc2cccc(Cl)c2)C1 ZINC000067906881 432045752 /nfs/dbraw/zinc/04/57/52/432045752.db2.gz PIHICHLMNRZMKD-AWEZNQCLSA-N 1 0 308.853 3.121 40 0 DGABRO C[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)C1CCCCC1 ZINC000006001468 181305054 /nfs/dbraw/zinc/30/50/54/181305054.db2.gz CECXARUDHHNYTA-KRWDZBQOSA-N 1 0 311.853 3.482 40 0 DGABRO CC[NH+](CC)CCNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006462763 181342759 /nfs/dbraw/zinc/34/27/59/181342759.db2.gz IDBJDPDUVZTKRI-UHFFFAOYSA-N 1 0 303.328 3.169 40 0 DGABRO COc1ccc2ccccc2c1-c1noc(C2CC[NH2+]CC2)n1 ZINC000199783371 201426100 /nfs/dbraw/zinc/42/61/00/201426100.db2.gz ZUMLMVXSWDFLKM-UHFFFAOYSA-N 1 0 309.369 3.365 40 0 DGABRO O=C(c1cccnc1)N1CCCC[C@@H]2[NH2+][C@H](c3ccccc3)C[C@H]21 ZINC000257278578 203005740 /nfs/dbraw/zinc/00/57/40/203005740.db2.gz OCVBDKPOOOQKJW-GBESFXJTSA-N 1 0 321.424 3.180 40 0 DGABRO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cn(C)c4ccc(F)cc34)C2)n1 ZINC000257311977 203035530 /nfs/dbraw/zinc/03/55/30/203035530.db2.gz ULWASCXAOXPXQG-CQSZACIVSA-N 1 0 324.403 3.405 40 0 DGABRO Fc1ccccc1OCCC[N@@H+]1CCC[C@H]1c1cnccn1 ZINC000257307627 203031441 /nfs/dbraw/zinc/03/14/41/203031441.db2.gz SZNSPGFSZTXPCA-INIZCTEOSA-N 1 0 301.365 3.222 40 0 DGABRO CC(C)Oc1ccc([C@H]2C[NH2+]CCN2Cc2cscn2)cc1 ZINC000257287522 203013308 /nfs/dbraw/zinc/01/33/08/203013308.db2.gz PQHZAWUJYBKEAD-QGZVFWFLSA-N 1 0 317.458 3.077 40 0 DGABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)n1 ZINC000257294266 203019452 /nfs/dbraw/zinc/01/94/52/203019452.db2.gz QTHMJGPLABMXIQ-HNNXBMFYSA-N 1 0 307.401 3.041 40 0 DGABRO CC1(c2ncc(Cl)s2)CC[NH+](C2CCOCC2)CC1 ZINC000257312593 203035847 /nfs/dbraw/zinc/03/58/47/203035847.db2.gz UOSLZCAOXFHDSV-UHFFFAOYSA-N 1 0 300.855 3.329 40 0 DGABRO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2CCc2ccccc2)ccn1 ZINC000257314453 203039085 /nfs/dbraw/zinc/03/90/85/203039085.db2.gz UXBJNZUZWFGDCH-FQEVSTJZSA-N 1 0 323.440 3.097 40 0 DGABRO c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC(c2cnccn2)CC1 ZINC000257319935 203045895 /nfs/dbraw/zinc/04/58/95/203045895.db2.gz VUQWXHDVAHHILP-UHFFFAOYSA-N 1 0 319.412 3.246 40 0 DGABRO Cc1ccc(SCC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013672556 181876978 /nfs/dbraw/zinc/87/69/78/181876978.db2.gz XOWXRGQAJPZQAA-UHFFFAOYSA-N 1 0 306.475 3.079 40 0 DGABRO COc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1cccc(C)c1 ZINC000016349295 182042122 /nfs/dbraw/zinc/04/21/22/182042122.db2.gz OHDUVFKSTDLHBU-HNNXBMFYSA-N 1 0 315.413 3.053 40 0 DGABRO Fc1ccc(NC(=S)NCCC[NH+]2CCCCC2)c(F)c1 ZINC000018162527 182095873 /nfs/dbraw/zinc/09/58/73/182095873.db2.gz KQMMYEGTFXJKQR-UHFFFAOYSA-N 1 0 313.417 3.127 40 0 DGABRO COc1ccccc1CN1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019359416 182118105 /nfs/dbraw/zinc/11/81/05/182118105.db2.gz UOKVAMYHHWWGJP-AOIWGVFYSA-N 1 0 312.457 3.025 40 0 DGABRO C[C@@H]1C[NH+](Cc2c3cccnc3[nH]c2-c2ccco2)C[C@@H](C)O1 ZINC000019497543 182125947 /nfs/dbraw/zinc/12/59/47/182125947.db2.gz OGNCMPWFHKCOSE-CHWSQXEVSA-N 1 0 311.385 3.432 40 0 DGABRO COc1cccc(CN(CC[NH+](C)C)Cc2cccs2)c1 ZINC000019582596 182131858 /nfs/dbraw/zinc/13/18/58/182131858.db2.gz GQXIUDLIAVYFLC-UHFFFAOYSA-N 1 0 304.459 3.321 40 0 DGABRO CCN(C(=O)c1cc(C)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000019657074 182135301 /nfs/dbraw/zinc/13/53/01/182135301.db2.gz SZFPETVWBYWDNB-UHFFFAOYSA-N 1 0 311.429 3.100 40 0 DGABRO Cc1nc2ccc(C(=O)N(C)CC[NH+]3CCCCC3)cc2s1 ZINC000019717601 182137932 /nfs/dbraw/zinc/13/79/32/182137932.db2.gz XAPZPYZUGYXRKU-UHFFFAOYSA-N 1 0 317.458 3.163 40 0 DGABRO Fc1ccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019842462 182155596 /nfs/dbraw/zinc/15/55/96/182155596.db2.gz SRFLUJDNZXIEFF-SQNIBIBYSA-N 1 0 300.421 3.156 40 0 DGABRO CC1CCN([C@H](C[NH3+])c2ccccc2OC(F)(F)F)CC1 ZINC000020016660 182178552 /nfs/dbraw/zinc/17/85/52/182178552.db2.gz LDSVURVHZNNSHU-CYBMUJFWSA-N 1 0 302.340 3.317 40 0 DGABRO CCc1ccccc1O[C@@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000020452514 182218781 /nfs/dbraw/zinc/21/87/81/182218781.db2.gz ZUICKBPOESAAAK-INIZCTEOSA-N 1 0 318.461 3.009 40 0 DGABRO CCOc1c(Cl)cc(CNCC[NH+](CC)CC)cc1OC ZINC000022076007 182308700 /nfs/dbraw/zinc/30/87/00/182308700.db2.gz XKDFMDOCQSAWMP-UHFFFAOYSA-N 1 0 314.857 3.179 40 0 DGABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC[NH+]1CCCC1 ZINC000022524009 182324971 /nfs/dbraw/zinc/32/49/71/182324971.db2.gz WGXXAICNMRKWNI-QGZVFWFLSA-N 1 0 318.461 3.063 40 0 DGABRO C[NH+](C)Cc1ccccc1CNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000024084454 182375267 /nfs/dbraw/zinc/37/52/67/182375267.db2.gz MNJSXVUTJGKXPU-DAYGRLMNSA-N 1 0 300.446 3.191 40 0 DGABRO CCc1cccc(C)c1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104970638 194059924 /nfs/dbraw/zinc/05/99/24/194059924.db2.gz WAYSQXOHQWGJLX-MRXNPFEDSA-N 1 0 301.434 3.259 40 0 DGABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC1CCCCC1 ZINC000061743138 184186352 /nfs/dbraw/zinc/18/63/52/184186352.db2.gz NYSVANJUFQDQMH-UHFFFAOYSA-N 1 0 315.461 3.414 40 0 DGABRO C[C@@H]1CCCN([C@H](C[NH3+])c2ccccc2OC(F)(F)F)C1 ZINC000252093334 257106641 /nfs/dbraw/zinc/10/66/41/257106641.db2.gz FALFGAHFGMNHNS-DGCLKSJQSA-N 1 0 302.340 3.317 40 0 DGABRO Cc1cc(I)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072225993 257123726 /nfs/dbraw/zinc/12/37/26/257123726.db2.gz FROLARMPWFYLPU-ZDUSSCGKSA-N 1 0 324.165 3.043 40 0 DGABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219643 257124404 /nfs/dbraw/zinc/12/44/04/257124404.db2.gz HZXUCJMXHCSPMM-QGZVFWFLSA-N 1 0 303.450 3.164 40 0 DGABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1 ZINC000008254540 400122456 /nfs/dbraw/zinc/12/24/56/400122456.db2.gz HNPTWWHYGQEUJZ-OFQRWUPVSA-N 1 0 303.475 3.093 40 0 biogenic,in-vitro DGABRO CC(C)Cc1ncc(-c2cnc(C[C@H]3CC[N@H+](C)C3)cn2)s1 ZINC000585261164 400130876 /nfs/dbraw/zinc/13/08/76/400130876.db2.gz VZVOBUPTSNTDQR-CYBMUJFWSA-N 1 0 316.474 3.293 40 0 DGABRO CC(C)c1cc(C(=O)N2CC[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)[nH]n1 ZINC000019713410 400186609 /nfs/dbraw/zinc/18/66/09/400186609.db2.gz NERDEACOGPEUBI-WMZOPIPTSA-N 1 0 318.465 3.012 40 0 DGABRO Cc1c(CN2CC[C@H]3[NH2+]CCCC[C@H]32)c(-c2ccccc2)nn1C ZINC000019712464 400186928 /nfs/dbraw/zinc/18/69/28/400186928.db2.gz SUNBZYLQWWCTBD-RTBURBONSA-N 1 0 324.472 3.112 40 0 DGABRO c1ccc(CC[NH+]2CCC3(C[C@H](c4cncnc4)CO3)CC2)cc1 ZINC000096073014 275066892 /nfs/dbraw/zinc/06/68/92/275066892.db2.gz UPTCYPWIXGRCIM-SFHVURJKSA-N 1 0 323.440 3.058 40 0 DGABRO CCCc1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000006891248 276295577 /nfs/dbraw/zinc/29/55/77/276295577.db2.gz WZKBTNVVFFZMCN-BQFCYCMXSA-N 1 0 305.462 3.357 40 0 DGABRO CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3C[NH2+]CC[C@H]3O[C@@H]21 ZINC000257269277 276381905 /nfs/dbraw/zinc/38/19/05/276381905.db2.gz MPIADRJTPOIXMN-MMTVNHQJSA-N 1 0 317.429 3.312 40 0 DGABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000257241445 278125221 /nfs/dbraw/zinc/12/52/21/278125221.db2.gz HYBBTNURAWTHBO-GOSISDBHSA-N 1 0 301.434 3.187 40 0 DGABRO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000019796174 278431190 /nfs/dbraw/zinc/43/11/90/278431190.db2.gz FDHWWVABOPXSGH-LLVKDONJSA-N 1 0 304.312 3.230 40 0 DGABRO O=C1NCC2(CC[NH+](Cc3ccccc3)CC2)N1c1ccccc1 ZINC000001564513 431230833 /nfs/dbraw/zinc/23/08/33/431230833.db2.gz RCOWRGOWMVZQHM-UHFFFAOYSA-N 1 0 321.424 3.251 40 0 DGABRO C[C@H]1CCCC(C)(C)[C@H]1[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001711726 431235963 /nfs/dbraw/zinc/23/59/63/431235963.db2.gz RQBCMASLXMHIPZ-BBRMVZONSA-N 1 0 304.434 3.230 40 0 DGABRO CC(=O)O[C@@H](c1ccnc2ccccc21)[C@@H]1CC2CC[NH+]1CC2 ZINC000001680260 431236711 /nfs/dbraw/zinc/23/67/11/431236711.db2.gz AQPAKLCDHXUDCB-OALUTQOASA-N 1 0 310.397 3.323 40 0 DGABRO CC[C@H](C(=O)OCCOCC[NH+](CC)CC)c1ccccc1 ZINC000002017415 431242397 /nfs/dbraw/zinc/24/23/97/431242397.db2.gz DDVUMDPCZWBYRA-KRWDZBQOSA-N 1 0 307.434 3.082 40 0 in-man DGABRO COc1ccc(C(=O)[C@@H]2SC(=[NH2+])N[C@H]2c2ccccc2)cc1 ZINC000003019700 431282221 /nfs/dbraw/zinc/28/22/21/431282221.db2.gz ZCHDLPRNEZDIPX-GOEBONIOSA-N 1 0 312.394 3.049 40 0 DGABRO CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@@H]([NH3+])C1 ZINC000071790654 431287985 /nfs/dbraw/zinc/28/79/85/431287985.db2.gz SHDNLRJVAIEXBN-FZMZJTMJSA-N 1 0 312.360 3.017 40 0 DGABRO CC(C)[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000004230593 431297562 /nfs/dbraw/zinc/29/75/62/431297562.db2.gz XIBGVCAWTKMPPU-KRWDZBQOSA-N 1 0 313.449 3.150 40 0 DGABRO CCOCCC[NH2+]Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000008253139 431388624 /nfs/dbraw/zinc/38/86/24/431388624.db2.gz JUZKPHFVJWXGLQ-UHFFFAOYSA-N 1 0 301.814 3.264 40 0 DGABRO COc1ccc(C2CC[NH+](Cc3cccnc3)CC2)cc1OC ZINC000012113968 431490858 /nfs/dbraw/zinc/49/08/58/431490858.db2.gz ZPERNZSIMUHHNU-UHFFFAOYSA-N 1 0 312.413 3.478 40 0 DGABRO COc1ccccc1C[NH+]1CCC(c2[nH]nc3ncccc32)CC1 ZINC000012143423 431492937 /nfs/dbraw/zinc/49/29/37/431492937.db2.gz NVMAEIGQDLZKIH-UHFFFAOYSA-N 1 0 322.412 3.346 40 0 DGABRO Cc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000012292079 431499270 /nfs/dbraw/zinc/49/92/70/431499270.db2.gz MXOQEFMVFKNUBL-IBGZPJMESA-N 1 0 311.425 3.012 40 0 DGABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)C1(c2ccccc2F)CC1 ZINC000012362952 431502618 /nfs/dbraw/zinc/50/26/18/431502618.db2.gz KYLHNZHXPCDRIU-OAHLLOKOSA-N 1 0 318.436 3.238 40 0 DGABRO COc1ccccc1C[NH2+]Cc1cc2cccc(C)c2[nH]c1=O ZINC000013566538 431560324 /nfs/dbraw/zinc/56/03/24/431560324.db2.gz YDWXTHHIVGVEPR-UHFFFAOYSA-N 1 0 308.381 3.135 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(OC)cc1 ZINC000013612614 431560653 /nfs/dbraw/zinc/56/06/53/431560653.db2.gz JNYQBTWNQBNHGO-INIZCTEOSA-N 1 0 304.434 3.080 40 0 DGABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000078578588 431686127 /nfs/dbraw/zinc/68/61/27/431686127.db2.gz LWSJRUAVEJFJDH-INIZCTEOSA-N 1 0 322.408 3.198 40 0 DGABRO Cc1ccc(CN2Cc3cc(C)ccc3OC[C@@H]2C[NH+](C)C)o1 ZINC000072395300 280822436 /nfs/dbraw/zinc/82/24/36/280822436.db2.gz CHUXXSNEGXKJEH-KRWDZBQOSA-N 1 0 314.429 3.221 40 0 DGABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC[NH+](C)C ZINC000044948513 431879248 /nfs/dbraw/zinc/87/92/48/431879248.db2.gz JXFPPJOQMZZWSR-SFHVURJKSA-N 1 0 314.429 3.065 40 0 DGABRO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(Cl)cc2F)C1 ZINC000046960597 431903823 /nfs/dbraw/zinc/90/38/23/431903823.db2.gz OWWRFKNVZBJSQR-GFCCVEGCSA-N 1 0 312.816 3.331 40 0 DGABRO CC[NH+]1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000054559776 431972215 /nfs/dbraw/zinc/97/22/15/431972215.db2.gz CIBXQFIVWXQMBI-GQCTYLIASA-N 1 0 313.228 3.171 40 0 DGABRO O=C1C[C@@]2(CC[N@H+](Cc3ccco3)C2)CN1c1cccc(F)c1 ZINC000096050710 431935323 /nfs/dbraw/zinc/93/53/23/431935323.db2.gz HRLNSEFCTRTQDX-GOSISDBHSA-N 1 0 314.360 3.048 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)s1 ZINC000096042726 431935795 /nfs/dbraw/zinc/93/57/95/431935795.db2.gz KTFSDTQXIZIWTA-NWANDNLSSA-N 1 0 319.430 3.100 40 0 DGABRO CC(C)C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc(Cl)cc1)C2 ZINC000096070750 431936542 /nfs/dbraw/zinc/93/65/42/431936542.db2.gz AZSNDGZNGBNUAW-UHFFFAOYSA-N 1 0 320.864 3.073 40 0 DGABRO Cc1ccc(C[N@@H+]2C[C@@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)s1 ZINC000096053582 431936893 /nfs/dbraw/zinc/93/68/93/431936893.db2.gz XXPYSZHYRBUERZ-RHSMWYFYSA-N 1 0 312.438 3.151 40 0 DGABRO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](CC(C)(C)C)C[C@H]3F)nc2c1 ZINC000096112309 431938785 /nfs/dbraw/zinc/93/87/85/431938785.db2.gz MOKQTTLBOLQSQZ-CJNGLKHVSA-N 1 0 319.424 3.456 40 0 biogenic,in-vitro DGABRO Cc1ncsc1C[N@@H+]1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC000096107489 431938941 /nfs/dbraw/zinc/93/89/41/431938941.db2.gz UZTNJFMVYIAJIE-RDJZCZTQSA-N 1 0 322.474 3.002 40 0 DGABRO COC[C@H]1c2c(cnn2CC2CC2)CCN1Cc1cccs1 ZINC000096197852 431941575 /nfs/dbraw/zinc/94/15/75/431941575.db2.gz QPLYZOZSBPMBTF-INIZCTEOSA-N 1 0 317.458 3.100 40 0 DGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C4CCC4)C3)C2)o1 ZINC000096215949 431942781 /nfs/dbraw/zinc/94/27/81/431942781.db2.gz IREGMEBPWVZQML-LJQANCHMSA-N 1 0 316.445 3.203 40 0 DGABRO CC[NH+]1CCC2(C[C@@H](NCc3nccn3C)c3ccccc32)CC1 ZINC000096241437 431942884 /nfs/dbraw/zinc/94/28/84/431942884.db2.gz BPXFYPNRENOEDW-GOSISDBHSA-N 1 0 324.472 3.008 40 0 DGABRO c1ccc(N[C@H]2CCO[C@]3(CC[N@@H+](C4CCCC4)C3)C2)nc1 ZINC000096207827 431942965 /nfs/dbraw/zinc/94/29/65/431942965.db2.gz WOAQSLUXIDPQIJ-MAUKXSAKSA-N 1 0 301.434 3.060 40 0 DGABRO Cc1ccc(N2CCC[C@]3(CC[N@H+](CC4CCCC4)C3)C2)nn1 ZINC000096217108 431943206 /nfs/dbraw/zinc/94/32/06/431943206.db2.gz GJQOQVVROIWNSA-LJQANCHMSA-N 1 0 314.477 3.268 40 0 DGABRO CC(C)[NH2+]C[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 ZINC000096296363 431944092 /nfs/dbraw/zinc/94/40/92/431944092.db2.gz PJFBZTVZDXBJAQ-AWEZNQCLSA-N 1 0 305.809 3.100 40 0 biogenic,in-vitro DGABRO CCOc1ccc(C2=C[C@@H](c3ccccc3)N3NC=NC3=[NH+]2)cc1 ZINC000100594101 431982244 /nfs/dbraw/zinc/98/22/44/431982244.db2.gz OJOJDITWWZWACK-SFHVURJKSA-N 1 0 318.380 3.386 40 0 DGABRO Oc1ccc(Br)c2ccc(CC[NH+]3CCCC3)nc12 ZINC000059474708 431998949 /nfs/dbraw/zinc/99/89/49/431998949.db2.gz XWSLTQCOBPKTOZ-UHFFFAOYSA-N 1 0 321.218 3.341 40 0 DGABRO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCC(C)C ZINC000060806378 432000652 /nfs/dbraw/zinc/00/06/52/432000652.db2.gz CGSYJENPOMPQKB-INIZCTEOSA-N 1 0 307.434 3.389 40 0 DGABRO c1cc2n(c1)C[C@@H](OCc1cccnc1)C[N@H+](C1CCCC1)C2 ZINC000253588933 432400781 /nfs/dbraw/zinc/40/07/81/432400781.db2.gz ZKRNZIKJTSAMGS-LJQANCHMSA-N 1 0 311.429 3.227 40 0 DGABRO c1cc2n(c1)C[C@@H](OCc1ccncc1)C[N@@H+](CC1CCC1)C2 ZINC000253588395 432400991 /nfs/dbraw/zinc/40/09/91/432400991.db2.gz BBAVJVKNQBTLGJ-IBGZPJMESA-N 1 0 311.429 3.084 40 0 DGABRO Cc1ncc(-c2cc([C@@H]3CCC[N@@H+](C(C)C)C3)nc(C)n2)n1C ZINC000257205929 432417616 /nfs/dbraw/zinc/41/76/16/432417616.db2.gz BBCIDNGCUJANCV-OAHLLOKOSA-N 1 0 313.449 3.082 40 0 DGABRO Fc1ccc(C[NH+]2CC3(C2)CO[C@H](Cc2cccnc2)C3)cc1 ZINC000257222116 432420123 /nfs/dbraw/zinc/42/01/23/432420123.db2.gz DRZOLXXJPWGIJW-GOSISDBHSA-N 1 0 312.388 3.054 40 0 DGABRO CC(C)n1nccc1-c1cnc(C[C@@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000257232369 432420944 /nfs/dbraw/zinc/42/09/44/432420944.db2.gz GKOVROSEIOFQCB-HNNXBMFYSA-N 1 0 313.449 3.194 40 0 DGABRO CC(C)[NH+]1CCC(c2cccc(N3C[C@H](C)OC3=O)n2)CC1 ZINC000257223848 432421299 /nfs/dbraw/zinc/42/12/99/432421299.db2.gz DZEOIJKPRDIARC-ZDUSSCGKSA-N 1 0 303.406 3.015 40 0 DGABRO Cc1cccnc1C[N@@H+]1CCCC[C@@H]1c1ccn2ccnc2n1 ZINC000257239996 432421834 /nfs/dbraw/zinc/42/18/34/432421834.db2.gz HRQWTMMOUQOVPB-QGZVFWFLSA-N 1 0 307.401 3.160 40 0 DGABRO Cc1nc(Nc2nccs2)cc([C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000257250631 432422146 /nfs/dbraw/zinc/42/21/46/432422146.db2.gz JNJCEOVOFGZEFW-LBPRGKRZSA-N 1 0 303.435 3.183 40 0 DGABRO Cc1nc(C[N@H+]2CCC[C@@H](c3ccnc(N(C)C)c3)C2)cs1 ZINC000257254959 432422749 /nfs/dbraw/zinc/42/27/49/432422749.db2.gz KFMOHDQZSNKOMM-OAHLLOKOSA-N 1 0 316.474 3.292 40 0 DGABRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000257247153 432423144 /nfs/dbraw/zinc/42/31/44/432423144.db2.gz IXSNAKZCDLXYPK-HNNXBMFYSA-N 1 0 307.401 3.098 40 0 DGABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000257257547 432423351 /nfs/dbraw/zinc/42/33/51/432423351.db2.gz KQBOSTPEZGAJCE-IBGZPJMESA-N 1 0 315.461 3.435 40 0 DGABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CC2)CC1 ZINC000257270184 432424861 /nfs/dbraw/zinc/42/48/61/432424861.db2.gz MTCCMEDODPNOBJ-IIDMSEBBSA-N 1 0 315.461 3.017 40 0 DGABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2cccc(F)c2)C1 ZINC000225736358 432695961 /nfs/dbraw/zinc/69/59/61/432695961.db2.gz VQOCULDKMHEYTP-CYBMUJFWSA-N 1 0 309.454 3.234 40 0 DGABRO COc1cccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000225735689 432696647 /nfs/dbraw/zinc/69/66/47/432696647.db2.gz CHZIOKDGTTXSCT-CQSZACIVSA-N 1 0 321.490 3.104 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cccc(OC)c1 ZINC000225763070 432697043 /nfs/dbraw/zinc/69/70/43/432697043.db2.gz SNZVTMNIOSRQRU-INIZCTEOSA-N 1 0 319.449 3.471 40 0 DGABRO Cc1nc(CC[NH+]2CCC(Oc3ncccc3F)CC2)cs1 ZINC000278035326 432881017 /nfs/dbraw/zinc/88/10/17/432881017.db2.gz BSIPESRFULBXKS-UHFFFAOYSA-N 1 0 321.421 3.072 40 0 DGABRO C[NH+](C)CCC[C@@]12O[C@@H](c3ccccc31)[C@H](O)c1ccccc12 ZINC000005432230 289119061 /nfs/dbraw/zinc/11/90/61/289119061.db2.gz QYDFQGAINLZXRW-AABGKKOBSA-N 1 0 309.409 3.390 40 0 DGABRO C[NH+](C)CCC[C@@]1(O)c2ccccc2C=Cc2ccc(O)cc21 ZINC000065742943 289119100 /nfs/dbraw/zinc/11/91/00/289119100.db2.gz LVSOPRLYYPOIMB-HXUWFJFHSA-N 1 0 309.409 3.454 40 0 in-vitro DGABRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000072203928 290006699 /nfs/dbraw/zinc/00/66/99/290006699.db2.gz XHVIHPAHSMZJAP-UONOGXRCSA-N 1 0 305.422 3.132 40 0 DGABRO CC(C)(C)Nc1nc(NCCc2ccccn2)cc(C2CC2)[nH+]1 ZINC000329005344 434340443 /nfs/dbraw/zinc/34/04/43/434340443.db2.gz KYAYFHGAMFXROZ-UHFFFAOYSA-N 1 0 311.433 3.614 40 0 DGABRO c1ccc(C[NH2+]CCc2nc([C@H]3CCCSCC3)no2)cc1 ZINC000575415108 435036215 /nfs/dbraw/zinc/03/62/15/435036215.db2.gz RLNNVIMOXNWGQH-HNNXBMFYSA-N 1 0 317.458 3.403 40 0 DGABRO C[C@H]1N(O)C(c2ccccc2)=C(c2ccccc2)[N+](=O)C1(C)C ZINC000100314762 300710770 /nfs/dbraw/zinc/71/07/70/300710770.db2.gz FRZVWIVLNUCYNM-CQSZACIVSA-N 1 0 308.381 3.166 40 0 DGABRO Nc1ncnc(N2CCC[C@H]2Cc2ccc(F)cc2)c1Cl ZINC000582368004 324221942 /nfs/dbraw/zinc/22/19/42/324221942.db2.gz QRKMKOZASOIHFX-LBPRGKRZSA-N 1 0 306.772 3.063 40 0 DGABRO Cc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](CC4CC4)C[C@@H]2C3)cc1 ZINC000306140227 534196412 /nfs/dbraw/zinc/19/64/12/534196412.db2.gz UNIZCVOBSDJNGN-ROUUACIJSA-N 1 0 307.441 3.373 40 0 DGABRO O=C1CC[C@]2(CCC[N@H+](CCc3ccccc3)CC2)N1CCF ZINC000585100630 547025162 /nfs/dbraw/zinc/02/51/62/547025162.db2.gz QRZQGHYACNUBPA-IBGZPJMESA-N 1 0 318.436 3.046 40 0 DGABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000113037349 1199659092 /nfs/dbraw/zinc/65/90/92/1199659092.db2.gz QMQGMWPJTZZKGJ-BBWFWOEESA-N 1 0 316.445 3.422 40 0 DGABRO COCO[C@H]1CCCN(c2ccccc2[C@@H]([NH3+])CC(C)C)C1 ZINC000065743341 432013105 /nfs/dbraw/zinc/01/31/05/432013105.db2.gz HVWGQJMMDGGTPN-RDJZCZTQSA-N 1 0 306.450 3.322 40 0 in-vitro DGABRO CC(C)[NH2+]C[C@H](O)COc1ccccc1[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000071325805 190957848 /nfs/dbraw/zinc/95/78/48/190957848.db2.gz NACJSVRGPPMZRS-MUQADHOPSA-N 1 0 303.446 3.328 40 0 in-man DGABRO Cc1csc(CCNc2ccc([C@@H]3CCC[N@H+]3C)nc2)n1 ZINC000072365557 191134334 /nfs/dbraw/zinc/13/43/34/191134334.db2.gz BZAQAUSWTRIYTF-HNNXBMFYSA-N 1 0 302.447 3.268 40 0 DGABRO Cc1cc(Nc2ncccc2C)nc([C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000072382384 191142075 /nfs/dbraw/zinc/14/20/75/191142075.db2.gz PBKRMHRIGZXMGV-HNNXBMFYSA-N 1 0 311.433 3.430 40 0 DGABRO CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC[NH2+]C1 ZINC000072391954 191148460 /nfs/dbraw/zinc/14/84/60/191148460.db2.gz UHEWKYXRUURRGQ-OAQYLSRUSA-N 1 0 322.452 3.402 40 0 DGABRO C[C@@H]1C[N@@H+](Cc2c3cccnc3[nH]c2C(C)(C)C)C[C@H](C)O1 ZINC000072393636 191148987 /nfs/dbraw/zinc/14/89/87/191148987.db2.gz LSQWDHBMIYNWHR-BETUJISGSA-N 1 0 301.434 3.470 40 0 DGABRO C[C@@H]1C[NH+](Cc2c3cccnc3[nH]c2C(C)(C)C)C[C@@H](C)O1 ZINC000072393638 191149801 /nfs/dbraw/zinc/14/98/01/191149801.db2.gz LSQWDHBMIYNWHR-CHWSQXEVSA-N 1 0 301.434 3.470 40 0 DGABRO O=C(C[C@@H](c1ccccc1)[NH+]1CCCCC1)OC[C@@H]1CCCO1 ZINC000001569395 180873731 /nfs/dbraw/zinc/87/37/31/180873731.db2.gz JPWQZUQDQORRCQ-ROUUACIJSA-N 1 0 317.429 3.326 40 0 DGABRO CC(C)([NH3+])C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000236787136 202007259 /nfs/dbraw/zinc/00/72/59/202007259.db2.gz NLHUTEJJKURARQ-UHFFFAOYSA-N 1 0 303.233 3.125 40 0 DGABRO CC(C)CC[NH2+]C1(Cc2cc(-c3ccc(F)cc3)on2)COC1 ZINC000067897874 432045106 /nfs/dbraw/zinc/04/51/06/432045106.db2.gz YDCVCLIUSRXMKO-UHFFFAOYSA-N 1 0 318.392 3.428 40 0 biogenic,in-vitro DGABRO Cc1ccc(C(=O)N2CC[NH+]=Cc3cc(N)ccc32)cc1Cl ZINC000073642623 191335587 /nfs/dbraw/zinc/33/55/87/191335587.db2.gz UXQOUZVMJVLVOD-UHFFFAOYSA-N 1 0 313.788 3.310 40 0 DGABRO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1Cl ZINC000005771685 181282461 /nfs/dbraw/zinc/28/24/61/181282461.db2.gz ZZHFJTWJGFOXMO-CZUORRHYSA-N 1 0 306.837 3.334 40 0 DGABRO CC[NH+](CC)CCCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000006555538 181354106 /nfs/dbraw/zinc/35/41/06/181354106.db2.gz DYMCYNIXHCQPPL-UHFFFAOYSA-N 1 0 302.340 3.167 40 0 DGABRO CC[C@H](Oc1ccccc1C)C(=O)NCCC[NH+]1CCCCC1 ZINC000216324693 201491345 /nfs/dbraw/zinc/49/13/45/201491345.db2.gz FKGKSBHSZWBCBM-KRWDZBQOSA-N 1 0 318.461 3.145 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(OC)c(C)c1 ZINC000222869352 201626764 /nfs/dbraw/zinc/62/67/64/201626764.db2.gz WROBZFGPCZEMLI-QGZVFWFLSA-N 1 0 318.461 3.388 40 0 DGABRO CN(c1ccncn1)C1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000257301229 203025025 /nfs/dbraw/zinc/02/50/25/203025025.db2.gz RXNYMIJEBLDUNW-UHFFFAOYSA-N 1 0 314.458 3.029 40 0 DGABRO Cc1ncc(-c2cc(CC3CC[NH+](C(C)C)CC3)ccn2)n1C ZINC000257302557 203028441 /nfs/dbraw/zinc/02/84/41/203028441.db2.gz SDJDPYLHCMOWGQ-UHFFFAOYSA-N 1 0 312.461 3.453 40 0 DGABRO Cc1ccnc([C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257310614 203034766 /nfs/dbraw/zinc/03/47/66/203034766.db2.gz UFWYMIDBFGHKRE-INIZCTEOSA-N 1 0 319.412 3.165 40 0 DGABRO CC(C)C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000257284134 203012800 /nfs/dbraw/zinc/01/28/00/203012800.db2.gz PBIPTXORPUBCCM-BZSNNMDCSA-N 1 0 300.446 3.169 40 0 DGABRO C[NH2+][C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccccc2)[C@@H]1O ZINC000257319744 203043988 /nfs/dbraw/zinc/04/39/88/203043988.db2.gz VTXMBEMDSQWAMV-ATZDWAIDSA-N 1 0 313.397 3.359 40 0 DGABRO O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000096047279 193500141 /nfs/dbraw/zinc/50/01/41/193500141.db2.gz DGSYVDOZAMHWTH-UHFFFAOYSA-N 1 0 318.486 3.476 40 0 DGABRO COC[C@H]1C[N@H+](CC2CC2)Cc2cn(CC3CCCC3)nc21 ZINC000096059997 193512327 /nfs/dbraw/zinc/51/23/27/193512327.db2.gz QGRTZCZNLAJJIB-QGZVFWFLSA-N 1 0 303.450 3.029 40 0 DGABRO Fc1ccc(-c2cnc3n2C[C@H](C[NH2+]C2CCCC2)OC3)cc1 ZINC000096112936 193543504 /nfs/dbraw/zinc/54/35/04/193543504.db2.gz YZPRXELDJYSZBC-INIZCTEOSA-N 1 0 315.392 3.120 40 0 biogenic,in-vitro DGABRO CCC(=O)c1ccc(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000016739466 182059494 /nfs/dbraw/zinc/05/94/94/182059494.db2.gz WKLGIIULCGMLEB-HLLBOEOZSA-N 1 0 319.445 3.282 40 0 DGABRO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000016739463 182059502 /nfs/dbraw/zinc/05/95/02/182059502.db2.gz WKLGIIULCGMLEB-ZOBUZTSGSA-N 1 0 319.445 3.282 40 0 DGABRO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000019237180 182111033 /nfs/dbraw/zinc/11/10/33/182111033.db2.gz KWLSPJILJZGTKJ-OAHLLOKOSA-N 1 0 307.401 3.041 40 0 DGABRO COc1ccccc1C[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)no1 ZINC000019120591 182105250 /nfs/dbraw/zinc/10/52/50/182105250.db2.gz TZDAKUFXNJZSBJ-WMLDXEAASA-N 1 0 300.402 3.493 40 0 DGABRO Cc1cnc2cc(C3CC[NH+](Cc4ccncc4)CC3)[nH]c2n1 ZINC000019239398 182110981 /nfs/dbraw/zinc/11/09/81/182110981.db2.gz OZNBIBMKHDOIOI-UHFFFAOYSA-N 1 0 307.401 3.041 40 0 DGABRO CN(C)c1ncc(C[NH2+][C@@H]2[C@H]3CCC[C@@H]3[C@H]2c2ccccc2)cn1 ZINC000019585566 182132367 /nfs/dbraw/zinc/13/23/67/182132367.db2.gz NISXXCWSZBUJAB-INDMIFKZSA-N 1 0 322.456 3.215 40 0 DGABRO Cc1cc(N2CCC[C@H]2c2nc3ccccc3s2)nc(N)[nH+]1 ZINC000019656915 182133994 /nfs/dbraw/zinc/13/39/94/182133994.db2.gz JHHPATRJUVUARB-LBPRGKRZSA-N 1 0 311.414 3.318 40 0 DGABRO CCOCCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020049466 182183768 /nfs/dbraw/zinc/18/37/68/182183768.db2.gz JRYQZODYHOQHSS-UHFFFAOYSA-N 1 0 318.461 3.075 40 0 DGABRO Cc1cccc(O[C@H](C)C(=O)NCCC[NH+]2CCCCC2)c1C ZINC000020488564 182223464 /nfs/dbraw/zinc/22/34/64/182223464.db2.gz HMCQOOFQKBQROU-QGZVFWFLSA-N 1 0 318.461 3.063 40 0 DGABRO Cc1cccc(O[C@@H](C)C(=O)NCCC[NH+]2CCCCC2)c1C ZINC000020488566 182224022 /nfs/dbraw/zinc/22/40/22/182224022.db2.gz HMCQOOFQKBQROU-KRWDZBQOSA-N 1 0 318.461 3.063 40 0 DGABRO CCOCCCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020493041 182224105 /nfs/dbraw/zinc/22/41/05/182224105.db2.gz BFQNIOXUKSTTLD-INIZCTEOSA-N 1 0 318.461 3.075 40 0 DGABRO O[C@@]1(c2ccccc2)CN(c2ccccc2)C2=[N+]1CCCCC2 ZINC000022407954 182320593 /nfs/dbraw/zinc/32/05/93/182320593.db2.gz NKRVKLGGPMFTQL-HXUWFJFHSA-N 1 0 307.417 3.337 40 0 DGABRO O=C(Cc1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189716 182376277 /nfs/dbraw/zinc/37/62/77/182376277.db2.gz VQYFVHUPDHPMKE-UHFFFAOYSA-N 1 0 308.425 3.141 40 0 DGABRO CC[NH+](CC)CCNC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000027974642 182500612 /nfs/dbraw/zinc/50/06/12/182500612.db2.gz DNYXZVVLHIFFEE-OAHLLOKOSA-N 1 0 314.429 3.065 40 0 DGABRO [NH3+]C[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3ccccc3)C2)CC1 ZINC000100768862 193804037 /nfs/dbraw/zinc/80/40/37/193804037.db2.gz FMQDMQUOYGUJQW-JQHSSLGASA-N 1 0 300.446 3.158 40 0 DGABRO O=C(Nc1ccc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC000037392460 182886292 /nfs/dbraw/zinc/88/62/92/182886292.db2.gz IBHRMRAXHFBYBN-UHFFFAOYSA-N 1 0 317.614 3.041 40 0 DGABRO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072219628 257124266 /nfs/dbraw/zinc/12/42/66/257124266.db2.gz HZWYXXVMIJRDQH-KRWDZBQOSA-N 1 0 303.450 3.020 40 0 DGABRO COC(=O)[C@H](C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000070453732 257128439 /nfs/dbraw/zinc/12/84/39/257128439.db2.gz YJLLJZPQQXPQTL-CYBMUJFWSA-N 1 0 301.308 3.058 40 0 DGABRO Clc1ccc(-c2ccc3nnc([C@H]4CCCC[NH2+]4)n3n2)cc1 ZINC000217563565 257131704 /nfs/dbraw/zinc/13/17/04/257131704.db2.gz WUACSLUSLZPQIQ-CQSZACIVSA-N 1 0 313.792 3.259 40 0 DGABRO CC(C)[C@H]([NH3+])c1nnc2ccc(-c3ccc(Cl)cc3)nn21 ZINC000217565039 257131722 /nfs/dbraw/zinc/13/17/22/257131722.db2.gz KLIRRSWHSMOOTP-AWEZNQCLSA-N 1 0 301.781 3.101 40 0 DGABRO O=C(c1cccc(F)c1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238852244 257213664 /nfs/dbraw/zinc/21/36/64/257213664.db2.gz JOIIEZKZAIBFON-IBGZPJMESA-N 1 0 324.399 3.099 40 0 DGABRO C[N@@H+]1CCCCC12CCN(C(=O)/C=C/c1cccs1)CC2 ZINC000585102459 400125332 /nfs/dbraw/zinc/12/53/32/400125332.db2.gz SJYRLICDQWRLAU-VOTSOKGWSA-N 1 0 304.459 3.238 40 0 DGABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000585284342 400130168 /nfs/dbraw/zinc/13/01/68/400130168.db2.gz HKOZIHMVMWIWMC-IPMKNSEASA-N 1 0 315.388 3.276 40 0 DGABRO CCc1ccc(C(=O)Nc2nc([C@@H]3CCC[NH2+]3)cs2)cc1 ZINC000585266742 400130272 /nfs/dbraw/zinc/13/02/72/400130272.db2.gz PFUYUHZCUSDHPZ-ZDUSSCGKSA-N 1 0 301.415 3.382 40 0 DGABRO O[C@]1(COc2ccccc2F)CCC[N@@H+](C2CCCC2)CC1 ZINC000585281622 400130793 /nfs/dbraw/zinc/13/07/93/400130793.db2.gz NLLIPOXKYYBQBL-GOSISDBHSA-N 1 0 307.409 3.364 40 0 DGABRO Cc1ccc(CCC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000010111274 400131298 /nfs/dbraw/zinc/13/12/98/400131298.db2.gz LEOWRQDKMRDOIE-UHFFFAOYSA-N 1 0 302.462 3.310 40 0 DGABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)C[N@@H+]2CC1CC1 ZINC000019712709 400186514 /nfs/dbraw/zinc/18/65/14/400186514.db2.gz IJGPULUVUAQGIL-SCTDSRPQSA-N 1 0 316.420 3.062 40 0 DGABRO CCOC(=O)[C@H](CN)[C@]1([NH+](CC)CC)C[C@H]2CC[C@]1(C)C2(C)C ZINC000072210475 400375599 /nfs/dbraw/zinc/37/55/99/400375599.db2.gz OCKDPBVSIVVMTJ-WTLGNFPFSA-N 1 0 324.509 3.051 40 0 DGABRO Cc1ccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000044080792 400485036 /nfs/dbraw/zinc/48/50/36/400485036.db2.gz JMMNMIWRNGHKBC-HNNXBMFYSA-N 1 0 305.491 3.403 40 0 DGABRO [NH3+][C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000218868248 400952065 /nfs/dbraw/zinc/95/20/65/400952065.db2.gz RRNLSOSWIHMGHJ-MANSERQUSA-N 1 0 302.462 3.374 40 0 DGABRO CC[NH+]1CCC2(C[C@@H](CC(=O)N(C)C)c3ccc(F)cc32)CC1 ZINC000096100651 273650847 /nfs/dbraw/zinc/65/08/47/273650847.db2.gz UFVGSPACIZUAIN-CQSZACIVSA-N 1 0 318.436 3.145 40 0 DGABRO O=C1Nc2c(cccc2F)C12CC[NH+](Cc1ccccc1)CC2 ZINC000109839122 275024670 /nfs/dbraw/zinc/02/46/70/275024670.db2.gz PCGXLOFCVPZVAZ-UHFFFAOYSA-N 1 0 310.372 3.312 40 0 DGABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000257241446 278125093 /nfs/dbraw/zinc/12/50/93/278125093.db2.gz HYBBTNURAWTHBO-SFHVURJKSA-N 1 0 301.434 3.187 40 0 DGABRO CC[n+]1c(C)sc2cc(I)ccc21 ZINC000000370076 431173187 /nfs/dbraw/zinc/17/31/87/431173187.db2.gz VINQXBVSNANRJR-UHFFFAOYSA-N 1 0 304.176 3.122 40 0 DGABRO CN(C)C(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000108531981 431147420 /nfs/dbraw/zinc/14/74/20/431147420.db2.gz PAPNJUCNURORGR-QAPCUYQASA-N 1 0 322.399 3.045 40 0 DGABRO CC(C)C(=O)O[C@@H]1c2cc(OCC[NH+](C)C)ccc2C[C@@H]1C ZINC000001668195 431235198 /nfs/dbraw/zinc/23/51/98/431235198.db2.gz MZHSSHXKQOTGOQ-GUYCJALGSA-N 1 0 305.418 3.060 40 0 DGABRO CC[NH2+][C@@H]([C@H](C)OC(=O)c1ccc(N)cc1)C1CCCCC1 ZINC000001711724 431236726 /nfs/dbraw/zinc/23/67/26/431236726.db2.gz AAHFSQZVCCRFLB-GUYCJALGSA-N 1 0 304.434 3.373 40 0 DGABRO c1cnc([N-]c2nccnc2[C@@H]2CCCN2C2CCCCC2)nc1 ZINC000072363429 431334326 /nfs/dbraw/zinc/33/43/26/431334326.db2.gz UMDCILGMALYYNB-HNNXBMFYSA-N 1 0 324.432 3.480 40 0 DGABRO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)cc1 ZINC000007540900 431353213 /nfs/dbraw/zinc/35/32/13/431353213.db2.gz URMYNGAXHBPSJY-CJNGLKHVSA-N 1 0 301.386 3.269 40 0 DGABRO C[N@@H+]1CCC[C@@H](CNC(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000009876421 431446986 /nfs/dbraw/zinc/44/69/86/431446986.db2.gz JENDQUDNNUZUJU-JTQLQIEISA-N 1 0 315.845 3.107 40 0 DGABRO Cc1cccc(NC(=S)NC[C@H]2CCC[N@@H+](C)C2)c1Cl ZINC000009876203 431447763 /nfs/dbraw/zinc/44/77/63/431447763.db2.gz NQWAJPSIGQGFEG-GFCCVEGCSA-N 1 0 311.882 3.277 40 0 DGABRO O=C(/C=C/c1ccc(Cl)cc1)NCCC[NH+]1CCCCC1 ZINC000010276922 431456378 /nfs/dbraw/zinc/45/63/78/431456378.db2.gz SPGWMLHOAKORGF-JXMROGBWSA-N 1 0 306.837 3.345 40 0 DGABRO O=C(CCCOc1ccc(Cl)cc1)NCCC[NH+]1CCCC1 ZINC000010539111 431463364 /nfs/dbraw/zinc/46/33/64/431463364.db2.gz AHVVYGDRDUCWSD-UHFFFAOYSA-N 1 0 324.852 3.101 40 0 DGABRO Cc1sc2nc(C(C)C)n(C3CC[NH2+]CC3)c(=O)c2c1C ZINC000012145440 431494992 /nfs/dbraw/zinc/49/49/92/431494992.db2.gz FEOVWZKSVYIHGI-UHFFFAOYSA-N 1 0 305.447 3.123 40 0 DGABRO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000012183920 431497773 /nfs/dbraw/zinc/49/77/73/431497773.db2.gz WQLWTTFVLMBDGE-ZDUSSCGKSA-N 1 0 314.410 3.493 40 0 DGABRO CCCn1cc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cn1 ZINC000012344505 431504424 /nfs/dbraw/zinc/50/44/24/431504424.db2.gz QCQANQNQHXIRLF-UHFFFAOYSA-N 1 0 313.445 3.085 40 0 DGABRO Cc1ccc(-c2nc3ccccc3c(=O)n2CCC[NH+](C)C)cc1 ZINC000013637332 431561798 /nfs/dbraw/zinc/56/17/98/431561798.db2.gz AKZDJYZBDKGKOK-UHFFFAOYSA-N 1 0 321.424 3.324 40 0 DGABRO COc1ccccc1C[NH2+]Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013999217 431576553 /nfs/dbraw/zinc/57/65/53/431576553.db2.gz QKKJDEAEUSZUHP-UHFFFAOYSA-N 1 0 308.381 3.135 40 0 DGABRO Cc1cc([C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(C)s1 ZINC000019567908 431617786 /nfs/dbraw/zinc/61/77/86/431617786.db2.gz MSIYAKUMDQBDDZ-SFHVURJKSA-N 1 0 316.470 3.221 40 0 DGABRO CSCC[C@@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441188 431846973 /nfs/dbraw/zinc/84/69/73/431846973.db2.gz AADWMJJEQWQGQK-MRVPVSSYSA-N 1 0 300.225 3.078 40 0 DGABRO Cc1cc(Cl)ccc1OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037530396 431847910 /nfs/dbraw/zinc/84/79/10/431847910.db2.gz CGTWDODYBVWANC-ZENOOKHLSA-N 1 0 311.853 3.366 40 0 DGABRO COc1ccc(CC[NH2+][C@H](C)c2ccccc2N)cc1OC ZINC000095097489 431922153 /nfs/dbraw/zinc/92/21/53/431922153.db2.gz CFNIJPNYVCOJHA-CYBMUJFWSA-N 1 0 300.402 3.179 40 0 DGABRO Cc1ccc(C)c(CC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000044950183 431878948 /nfs/dbraw/zinc/87/89/48/431878948.db2.gz OSDCUKDKSBLHKL-IRXDYDNUSA-N 1 0 316.489 3.330 40 0 DGABRO O=C1CCC[C@H]2[C@H](N1)[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000095951703 431927854 /nfs/dbraw/zinc/92/78/54/431927854.db2.gz MHLMBYWVPBTMRI-SVFBPWRDSA-N 1 0 320.436 3.323 40 0 biogenic DGABRO Fc1cccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4ccco4)C3)C2)c1 ZINC000096047572 431935612 /nfs/dbraw/zinc/93/56/12/431935612.db2.gz RUBPDDZDTSPLSD-SJLPKXTDSA-N 1 0 316.376 3.264 40 0 DGABRO c1cc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)co1 ZINC000096046943 431935907 /nfs/dbraw/zinc/93/59/07/431935907.db2.gz NAVOQRSEMVYFPF-IBGZPJMESA-N 1 0 311.429 3.163 40 0 DGABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccsc2)N1c1ccsc1 ZINC000096055726 431936313 /nfs/dbraw/zinc/93/63/13/431936313.db2.gz GMHWPHVOPDPUIX-UONOGXRCSA-N 1 0 304.440 3.189 40 0 DGABRO O=C(Nc1ccccc1)N1CCC2(C[NH+](Cc3ccccc3)C2)C1 ZINC000096070784 431936859 /nfs/dbraw/zinc/93/68/59/431936859.db2.gz ZJPCTWQMASHWGQ-UHFFFAOYSA-N 1 0 321.424 3.426 40 0 DGABRO Cc1noc(C)c1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccs1)C2 ZINC000096058489 431936916 /nfs/dbraw/zinc/93/69/16/431936916.db2.gz HSVYZNUYWNRRNW-CABCVRRESA-N 1 0 317.458 3.059 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)o1 ZINC000049169683 431937277 /nfs/dbraw/zinc/93/72/77/431937277.db2.gz ADMALIJLBZGECI-AWEZNQCLSA-N 1 0 310.357 3.023 40 0 biogenic,in-vitro DGABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](CC(C)C)C2)o1 ZINC000049170022 431937362 /nfs/dbraw/zinc/93/73/62/431937362.db2.gz OIFNPRBOVNOIQA-ZDUSSCGKSA-N 1 0 301.390 3.191 40 0 biogenic,in-vitro DGABRO c1cncc(C[C@@H]2[C@H](OCC3CC3)CC[N@@H+]2Cc2ccncc2)c1 ZINC000096069939 431937416 /nfs/dbraw/zinc/93/74/16/431937416.db2.gz ZXUZRXSSSPLVJE-WOJBJXKFSA-N 1 0 323.440 3.089 40 0 DGABRO CC(C)C(=O)N1CCCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096075190 431937841 /nfs/dbraw/zinc/93/78/41/431937841.db2.gz XFOLGDHWUYKPHW-UHFFFAOYSA-N 1 0 318.436 3.439 40 0 DGABRO Cc1cnc(N2CCC3(C[C@@H]([NH+](C)C)c4ccccc43)CC2)nc1 ZINC000096079194 431937949 /nfs/dbraw/zinc/93/79/49/431937949.db2.gz XVNTZBSHYWDDQQ-GOSISDBHSA-N 1 0 322.456 3.330 40 0 DGABRO O=C(C1CC1)N1CCC2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000096075312 431938262 /nfs/dbraw/zinc/93/82/62/431938262.db2.gz LOCICKIWMOOPHG-UHFFFAOYSA-N 1 0 316.420 3.193 40 0 DGABRO COc1ccc(C[C@H]2C[N@@H+](Cc3ccco3)CC[C@H]2OC)cc1 ZINC000096110231 431938446 /nfs/dbraw/zinc/93/84/46/431938446.db2.gz ZPOMTPPZFHFOCM-QFBILLFUSA-N 1 0 315.413 3.368 40 0 DGABRO CO[C@@H]1CC[N@@H+](C2CCOCC2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110217 431938677 /nfs/dbraw/zinc/93/86/77/431938677.db2.gz FDCXTPQRBSGJGM-PKOBYXMFSA-N 1 0 303.446 3.053 40 0 DGABRO c1csc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c1 ZINC000096110739 431938867 /nfs/dbraw/zinc/93/88/67/431938867.db2.gz UQOWGYIJVJDZDZ-DJIMGWMZSA-N 1 0 307.459 3.297 40 0 DGABRO COC[C@@H]1COCCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096106302 431939053 /nfs/dbraw/zinc/93/90/53/431939053.db2.gz URXQYDROLJMWPU-MRXNPFEDSA-N 1 0 307.409 3.091 40 0 DGABRO c1ccc(C[N@H+]2CC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)cc1 ZINC000096110877 431939169 /nfs/dbraw/zinc/93/91/69/431939169.db2.gz KVFIAGLMNOHSFL-PMACEKPBSA-N 1 0 324.424 3.032 40 0 DGABRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(c4cccnc4)C3=O)C2)cc1 ZINC000096159506 431940253 /nfs/dbraw/zinc/94/02/53/431940253.db2.gz KQHVBKYZIKLJGD-FQEVSTJZSA-N 1 0 321.424 3.019 40 0 DGABRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccccn1)CC2 ZINC000096159273 431940596 /nfs/dbraw/zinc/94/05/96/431940596.db2.gz SULYIGBLUWUZHR-UHFFFAOYSA-N 1 0 322.456 3.358 40 0 DGABRO Cn1cc2c(n1)[C@@H](COCC1CC1)CN(Cc1cccs1)C2 ZINC000096198008 431941619 /nfs/dbraw/zinc/94/16/19/431941619.db2.gz JWGPTMMFNZGUTF-OAHLLOKOSA-N 1 0 317.458 3.008 40 0 DGABRO CC(C)C[N@@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)NCc1ccco1 ZINC000096252228 431944087 /nfs/dbraw/zinc/94/40/87/431944087.db2.gz XRAYRQKQHFJKDZ-BYICEURKSA-N 1 0 318.461 3.290 40 0 DGABRO c1coc(C[N@@H+]2CCc3ncnc(-c4ccsc4)c3CC2)c1 ZINC000096255334 431944102 /nfs/dbraw/zinc/94/41/02/431944102.db2.gz XPNFICUKOIWSQD-UHFFFAOYSA-N 1 0 311.410 3.399 40 0 DGABRO O=C(CCc1ccc(F)cc1)NCCC[NH+]1CCCCCC1 ZINC000052840677 431958275 /nfs/dbraw/zinc/95/82/75/431958275.db2.gz KMTQKVREWOJEFL-UHFFFAOYSA-N 1 0 306.425 3.141 40 0 DGABRO c1cc(CO[C@H]2CCOC3(C[NH+](CC4CCCC4)C3)C2)ccn1 ZINC000248341310 432280028 /nfs/dbraw/zinc/28/00/28/432280028.db2.gz WFOKXBPAMRPGPC-SFHVURJKSA-N 1 0 316.445 3.022 40 0 DGABRO C[NH+]1CCC(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000128677728 431998406 /nfs/dbraw/zinc/99/84/06/431998406.db2.gz WCXJVLOPVQDKAM-UHFFFAOYSA-N 1 0 302.418 3.288 40 0 DGABRO c1cnc2[nH]c(C3CC3)c(CN3CC[N@@H+]4CCCC[C@H]4C3)c2c1 ZINC000253588891 432400208 /nfs/dbraw/zinc/40/02/08/432400208.db2.gz YDDXBZPYKLEQPH-HNNXBMFYSA-N 1 0 310.445 3.110 40 0 DGABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3ccc(F)cc3)C2)c1 ZINC000257219457 432419053 /nfs/dbraw/zinc/41/90/53/432419053.db2.gz DGVREHFJEJKETD-AWEZNQCLSA-N 1 0 313.376 3.201 40 0 DGABRO CCn1cc(C[N@@H+]2CCC[C@H](Cc3cccc(C)n3)C2)c(C)n1 ZINC000257214607 432419107 /nfs/dbraw/zinc/41/91/07/432419107.db2.gz CMPPTYRIABPXPX-QGZVFWFLSA-N 1 0 312.461 3.370 40 0 DGABRO COc1cc(C[N@@H+]2CCC[C@@H](c3nc(C)c[nH]3)C2)ccc1F ZINC000257213732 432419166 /nfs/dbraw/zinc/41/91/66/432419166.db2.gz CIWOYYKIEIKQNS-CQSZACIVSA-N 1 0 303.381 3.245 40 0 DGABRO Cc1ccnc([C@@H]2CC[N@H+](CCCOc3ccccc3F)C2)n1 ZINC000257226058 432421017 /nfs/dbraw/zinc/42/10/17/432421017.db2.gz FIYGJPRVOWQJNA-OAHLLOKOSA-N 1 0 315.392 3.183 40 0 DGABRO CC[N@@H+]1CC[C@@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1 ZINC000257254530 432422242 /nfs/dbraw/zinc/42/22/42/432422242.db2.gz KDMUBDMYVDVKBH-GFCCVEGCSA-N 1 0 303.435 3.103 40 0 DGABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000257258939 432424959 /nfs/dbraw/zinc/42/49/59/432424959.db2.gz KWEGSWXOLJTTNQ-HXUWFJFHSA-N 1 0 323.440 3.097 40 0 DGABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccc(N2C(=O)OCC2(C)C)n1 ZINC000257331984 432424979 /nfs/dbraw/zinc/42/49/79/432424979.db2.gz XVEYIQONISBYBP-CQSZACIVSA-N 1 0 303.406 3.362 40 0 DGABRO Cc1cc(N)nc([C@@]2(C)CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000257271849 432425121 /nfs/dbraw/zinc/42/51/21/432425121.db2.gz MZZZDHHFUHDUSR-LJQANCHMSA-N 1 0 321.428 3.360 40 0 DGABRO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCC[NH2+]2)cc1 ZINC000257304156 432425538 /nfs/dbraw/zinc/42/55/38/432425538.db2.gz SKGYLQZVODAXSD-MRXNPFEDSA-N 1 0 312.417 3.033 40 0 DGABRO C[NH+](C)CC/C=C1/c2ccccc2COc2ccc(CCO)cc21 ZINC000013455805 282062579 /nfs/dbraw/zinc/06/25/79/282062579.db2.gz ZKOHNNRBHUBCOD-UWVJOHFNSA-N 1 0 323.436 3.497 40 0 in-vitro DGABRO Cc1ccc(CC(=O)NCCC[NH+]2CCCCCC2)c(C)c1 ZINC000223470271 432676191 /nfs/dbraw/zinc/67/61/91/432676191.db2.gz SLELEAPAVZCRDU-UHFFFAOYSA-N 1 0 302.462 3.228 40 0 DGABRO Cc1ccc(C(=O)N2CC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408609885 434589233 /nfs/dbraw/zinc/58/92/33/434589233.db2.gz PHJZVVLKUSLFFT-FQEVSTJZSA-N 1 0 320.436 3.268 40 0 DGABRO c1nn2ccccc2c1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000179503380 659931165 /nfs/dbraw/zinc/93/11/65/659931165.db2.gz XAVVULOQDDNJCY-UHFFFAOYSA-N 1 0 307.397 3.378 40 0 DGABRO CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CC[N@@H+](C)C[C@@H]1CCO2 ZINC001534646423 1187912395 /nfs/dbraw/zinc/91/23/95/1187912395.db2.gz LEQZCTLHUMTDHI-HOTGVXAUSA-N 1 0 316.445 3.489 40 0 DGABRO CC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)o2)c1 ZINC000027984379 1193870535 /nfs/dbraw/zinc/87/05/35/1193870535.db2.gz UEVSXSVULDLLNF-UHFFFAOYSA-N 1 0 312.369 3.330 40 0 DGABRO O=C(NCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCC2)o1 ZINC000027984326 1193870653 /nfs/dbraw/zinc/87/06/53/1193870653.db2.gz KNMAXVUOHDGPLU-UHFFFAOYSA-N 1 0 318.804 3.459 40 0 DGABRO C[NH2+]CCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000114410878 1199701251 /nfs/dbraw/zinc/70/12/51/1199701251.db2.gz ZXCSPVSCHJPZBF-UHFFFAOYSA-N 1 0 310.397 3.135 40 0 DGABRO [NH3+]CC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1 ZINC000040433789 1086501279 /nfs/dbraw/zinc/50/12/79/1086501279.db2.gz PYOLGMAWZPLCMY-UHFFFAOYSA-N 1 0 301.752 3.361 40 0 DGABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000067799436 190721825 /nfs/dbraw/zinc/72/18/25/190721825.db2.gz QKXBYOZSTDWNOD-SECBINFHSA-N 1 0 308.731 3.032 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ncccc1C ZINC000225584784 186280351 /nfs/dbraw/zinc/28/03/51/186280351.db2.gz VEGZQYUULOPQHU-OAHLLOKOSA-N 1 0 320.506 3.331 40 0 DGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccnc1 ZINC000225585071 186280446 /nfs/dbraw/zinc/28/04/46/186280446.db2.gz QOVGJKXGQKICOT-HNNXBMFYSA-N 1 0 306.479 3.023 40 0 DGABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(Br)cs1 ZINC000072324486 191122535 /nfs/dbraw/zinc/12/25/35/191122535.db2.gz LNGDNWLXNOTMMA-JQWIXIFHSA-N 1 0 315.280 3.179 40 0 DGABRO c1cn(-c2nccnc2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000072350479 191127748 /nfs/dbraw/zinc/12/77/48/191127748.db2.gz DQZGPVIIJMMOFS-UHFFFAOYSA-N 1 0 319.412 3.042 40 0 DGABRO c1ccc(Cc2cncc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000072355703 191130087 /nfs/dbraw/zinc/13/00/87/191130087.db2.gz YNQWYEFFDZOLES-HXUWFJFHSA-N 1 0 323.440 3.383 40 0 DGABRO Cc1cc(CCC(=O)Nc2cccnc2)cc([C@@H]2CCC[N@H+]2C)n1 ZINC000072360557 191131547 /nfs/dbraw/zinc/13/15/47/191131547.db2.gz LQHZODQUILMVMM-SFHVURJKSA-N 1 0 324.428 3.123 40 0 DGABRO CCOc1cccc(C[NH2+]CCCSc2ncccn2)c1 ZINC000004984115 181184194 /nfs/dbraw/zinc/18/41/94/181184194.db2.gz PORNCGIHLFNZAE-UHFFFAOYSA-N 1 0 303.431 3.147 40 0 DGABRO Cc1cnc(C[N@@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)cn1 ZINC000257274093 203002838 /nfs/dbraw/zinc/00/28/38/203002838.db2.gz NJNGWOUJQRHZSW-MNZLEMJZSA-N 1 0 309.413 3.074 40 0 DGABRO CCCCc1ncc(C[N@@H+]2CCC[C@H](c3nc(C)cn3C)C2)[nH]1 ZINC000257306002 203029858 /nfs/dbraw/zinc/02/98/58/203029858.db2.gz SSMKEJMZMCDPDK-HNNXBMFYSA-N 1 0 315.465 3.174 40 0 DGABRO Cc1cnc([C@@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)s1 ZINC000257282743 203010056 /nfs/dbraw/zinc/01/00/56/203010056.db2.gz OVCKSESAHHWLHR-OAHLLOKOSA-N 1 0 321.490 3.034 40 0 DGABRO Cc1cccnc1C[N@@H+]1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257289385 203015592 /nfs/dbraw/zinc/01/55/92/203015592.db2.gz PYJRJNOEIPOFNS-HNNXBMFYSA-N 1 0 307.401 3.041 40 0 DGABRO FC(F)(F)c1cccc(OCc2cc([C@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000257317121 203041524 /nfs/dbraw/zinc/04/15/24/203041524.db2.gz VIMKHTSIIXNHTL-JTQLQIEISA-N 1 0 311.307 3.084 40 0 DGABRO c1c[nH]c(-c2nccnc2C[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000257317778 203043560 /nfs/dbraw/zinc/04/35/60/203043560.db2.gz VLBYRLCRGGPNGM-CQSZACIVSA-N 1 0 311.433 3.064 40 0 DGABRO Cc1csc(Nc2cc([C@H]3CC[N@@H+](C(C)C)C3)nc(C)n2)n1 ZINC000257324811 203049777 /nfs/dbraw/zinc/04/97/77/203049777.db2.gz WQGYILAFOXRWSV-ZDUSSCGKSA-N 1 0 317.462 3.491 40 0 DGABRO CC(C)[NH+]1CCC2(CCCN(C(=O)Cc3ccsc3)C2)CC1 ZINC000096071788 193521411 /nfs/dbraw/zinc/52/14/11/193521411.db2.gz HCZXPHVVVMTUDL-UHFFFAOYSA-N 1 0 320.502 3.404 40 0 DGABRO CCOC[C@@H]1COCCC12CC[NH+](CCc1ccccc1)CC2 ZINC000096106412 193539010 /nfs/dbraw/zinc/53/90/10/193539010.db2.gz NPIPOAMOFGVQLX-LJQANCHMSA-N 1 0 317.473 3.384 40 0 DGABRO CC1CC[NH+](CCCNC(=O)CCSc2ccccc2)CC1 ZINC000013671003 181876392 /nfs/dbraw/zinc/87/63/92/181876392.db2.gz UWXFTDNVXXJJBT-UHFFFAOYSA-N 1 0 320.502 3.407 40 0 DGABRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCO)cc1 ZINC000017309900 182082962 /nfs/dbraw/zinc/08/29/62/182082962.db2.gz QSGBPOMRKZGEFF-UHFFFAOYSA-N 1 0 321.424 3.184 40 0 DGABRO Fc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)c1 ZINC000019293785 182113475 /nfs/dbraw/zinc/11/34/75/182113475.db2.gz PDSMFJJFGNRRGH-OAHLLOKOSA-N 1 0 324.359 3.260 40 0 DGABRO O[C@]1(c2cccnc2)CCC[N@H+](Cc2ccccc2F)CC1 ZINC000019349051 182117929 /nfs/dbraw/zinc/11/79/29/182117929.db2.gz YBXMJCNAVGIPOM-GOSISDBHSA-N 1 0 300.377 3.094 40 0 DGABRO CCOc1ccccc1C[NH2+][C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019520208 182127587 /nfs/dbraw/zinc/12/75/87/182127587.db2.gz BFCDUAQCIFDKMI-ZWKOTPCHSA-N 1 0 315.388 3.497 40 0 DGABRO CCCn1c2ccccc2nc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000019526006 182128536 /nfs/dbraw/zinc/12/85/36/182128536.db2.gz XIXUFCARCVYXMU-HOTGVXAUSA-N 1 0 312.461 3.115 40 0 DGABRO C[C@H]1C[NH+](Cc2c3ncccc3[nH]c2-c2cccnc2)C[C@H](C)O1 ZINC000019717971 182137417 /nfs/dbraw/zinc/13/74/17/182137417.db2.gz YHHNBMRJYBQORH-KBPBESRZSA-N 1 0 322.412 3.234 40 0 DGABRO COCCC[N@H+](Cc1ccc(F)c(F)c1)Cc1ccccn1 ZINC000019593260 182133039 /nfs/dbraw/zinc/13/30/39/182133039.db2.gz LGQUCOQCGZOULF-UHFFFAOYSA-N 1 0 306.356 3.399 40 0 DGABRO Cc1cc(C(=O)N(C)CC[NH+]2CCCCC2)nc2ccccc12 ZINC000019656408 182134001 /nfs/dbraw/zinc/13/40/01/182134001.db2.gz MSMXQCKZYVPMKQ-UHFFFAOYSA-N 1 0 311.429 3.101 40 0 DGABRO CC(C)c1ccccc1O[C@@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000020049918 182183861 /nfs/dbraw/zinc/18/38/61/182183861.db2.gz OMCUURKOTONZHX-INIZCTEOSA-N 1 0 318.461 3.179 40 0 DGABRO COc1ccccc1CN1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000022794658 182334960 /nfs/dbraw/zinc/33/49/60/182334960.db2.gz UOKVAMYHHWWGJP-SCTDSRPQSA-N 1 0 312.457 3.025 40 0 DGABRO O=C(c1csc2ccccc12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171444891 432134873 /nfs/dbraw/zinc/13/48/73/432134873.db2.gz GCGNLVJAGGJQMA-CYBMUJFWSA-N 1 0 300.427 3.212 40 0 DGABRO O=C1N(Cc2ccccc2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000038691618 183006318 /nfs/dbraw/zinc/00/63/18/183006318.db2.gz BALGLKJKWUJKIU-UHFFFAOYSA-N 1 0 320.436 3.311 40 0 DGABRO COc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000044080889 183394045 /nfs/dbraw/zinc/39/40/45/183394045.db2.gz SNQMKPHISYDYHJ-CQSZACIVSA-N 1 0 321.490 3.104 40 0 DGABRO C[C@H]1C[C@H]1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048344945 183647868 /nfs/dbraw/zinc/64/78/68/183647868.db2.gz NETOMWBLWZCCJP-OAFZBRQQSA-N 1 0 314.473 3.437 40 0 DGABRO COc1cccc(NC(=S)NCCC[NH+]2CCCCCC2)c1 ZINC000061247028 184166924 /nfs/dbraw/zinc/16/69/24/184166924.db2.gz ACNPCYZYSVQMDI-UHFFFAOYSA-N 1 0 321.490 3.248 40 0 DGABRO CO[C@H](C[NH2+][C@H](C)CCc1ccc(O)cc1)c1ccc(O)cc1 ZINC000065748587 184378460 /nfs/dbraw/zinc/37/84/60/184378460.db2.gz VPHOYLOAYAAPCO-AUUYWEPGSA-N 1 0 315.413 3.396 40 0 in-vitro DGABRO Cc1cc([C@@H]2CCCC[N@H+]2CC(C)C)cnc1N1CCOCC1 ZINC000072219362 257124213 /nfs/dbraw/zinc/12/42/13/257124213.db2.gz GCVZFSHFJBDAMU-SFHVURJKSA-N 1 0 317.477 3.410 40 0 DGABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(N3CCOCC3)nc2)cc1 ZINC000072216151 257124699 /nfs/dbraw/zinc/12/46/99/257124699.db2.gz NFLJSOPSDOGNCB-LJQANCHMSA-N 1 0 323.440 3.255 40 0 DGABRO Cc1ccc(-c2ccc3nnc([C@H]4CCCC[NH2+]4)n3n2)cc1C ZINC000217563196 257131286 /nfs/dbraw/zinc/13/12/86/257131286.db2.gz CJZOPPOVLSKODJ-MRXNPFEDSA-N 1 0 307.401 3.223 40 0 DGABRO CN1C(=O)CCCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc2cccnc21 ZINC000019713202 400186382 /nfs/dbraw/zinc/18/63/82/400186382.db2.gz LXBKXDFSTGXWJV-ZWKOTPCHSA-N 1 0 323.440 3.210 40 0 DGABRO CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc2ncccc12 ZINC000019712502 400186404 /nfs/dbraw/zinc/18/64/04/400186404.db2.gz VEHZMRKVMQEKKX-WOJBJXKFSA-N 1 0 323.440 3.210 40 0 DGABRO C1CCC(O[C@@H]2CCCC[C@H]2[N@@H+]2CCN[C@@H]3CCCC[C@@H]32)C1 ZINC000225714766 400959827 /nfs/dbraw/zinc/95/98/27/400959827.db2.gz ARUFQWJKFOKKNK-FCGDIQPGSA-N 1 0 306.494 3.473 40 0 DGABRO CO[C@H]1CC2(CC[NH+]([C@@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241659 274078905 /nfs/dbraw/zinc/07/89/05/274078905.db2.gz VYRVGMIVYHDGCN-PBHICJAKSA-N 1 0 305.393 3.039 40 0 DGABRO CC(C)C[NH+]1CCC2(C=C(C(=O)N(C)C)c3ccccc32)CC1 ZINC000096241598 275571015 /nfs/dbraw/zinc/57/10/15/275571015.db2.gz DNUHVQYRBHFJLH-UHFFFAOYSA-N 1 0 312.457 3.161 40 0 DGABRO Fc1ccc(Cn2c3ccccc3nc2N2CCC[NH2+]CC2)cc1 ZINC000002599351 431258289 /nfs/dbraw/zinc/25/82/89/431258289.db2.gz JLSAYFORXPWAMK-UHFFFAOYSA-N 1 0 324.403 3.023 40 0 DGABRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000001664909 431235400 /nfs/dbraw/zinc/23/54/00/431235400.db2.gz JURXGSRGDJSVBS-OAHLLOKOSA-N 1 0 313.445 3.248 40 0 DGABRO CC[NH+](CC)CCOC(=O)COc1ccc2ccccc2c1 ZINC000001718375 431236639 /nfs/dbraw/zinc/23/66/39/431236639.db2.gz HRMLQGPRKCBIJH-UHFFFAOYSA-N 1 0 301.386 3.104 40 0 DGABRO CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000113971220 431370164 /nfs/dbraw/zinc/37/01/64/431370164.db2.gz HHPQUXITPHOIFD-MRXNPFEDSA-N 1 0 324.852 3.016 40 0 DGABRO CC(C)[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)nc3nccn32)C1 ZINC000072367732 431335649 /nfs/dbraw/zinc/33/56/49/431335649.db2.gz HRSKUXJPFMWQGC-LLVKDONJSA-N 1 0 312.339 3.336 40 0 DGABRO C[C@H](O)C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008498037 431398698 /nfs/dbraw/zinc/39/86/98/431398698.db2.gz WSBRWFWCLXFYIV-ZDUSSCGKSA-N 1 0 305.805 3.389 40 0 DGABRO COCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000008550138 431402948 /nfs/dbraw/zinc/40/29/48/431402948.db2.gz XXGCFLGWRUMTDB-UHFFFAOYSA-N 1 0 315.413 3.319 40 0 DGABRO c1ccc(CC[NH+]2CCC(c3[nH]nc4ncccc43)CC2)cc1 ZINC000012143422 431494334 /nfs/dbraw/zinc/49/43/34/431494334.db2.gz NQSMWQTUSVXYGM-UHFFFAOYSA-N 1 0 306.413 3.380 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1OC ZINC000013649267 431564681 /nfs/dbraw/zinc/56/46/81/431564681.db2.gz CPGAXQUSGVQRQQ-OAHLLOKOSA-N 1 0 304.434 3.080 40 0 DGABRO C[NH+](C)C[C@H]1CN(Cc2ccccc2F)Cc2ccccc2O1 ZINC000019582091 431620179 /nfs/dbraw/zinc/62/01/79/431620179.db2.gz HCGIVETWDNALSU-KRWDZBQOSA-N 1 0 314.404 3.151 40 0 DGABRO CC[NH+](CC)Cc1nn(C(=O)OC(C)(C)C)c2cc(N)ccc12 ZINC000089195762 431861136 /nfs/dbraw/zinc/86/11/36/431861136.db2.gz PIHJVNGKIGTLCB-UHFFFAOYSA-N 1 0 318.421 3.244 40 0 DGABRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC000089223582 431861425 /nfs/dbraw/zinc/86/14/25/431861425.db2.gz WDQTURHNFSRHHP-ZDUSSCGKSA-N 1 0 308.397 3.172 40 0 DGABRO O=C1CCOC[C@H]2[C@H]1[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000095951712 431927919 /nfs/dbraw/zinc/92/79/19/431927919.db2.gz ZYNSKBKVJJHUEL-SVFBPWRDSA-N 1 0 321.420 3.260 40 0 DGABRO c1ccc(CN2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)nc1 ZINC000096049318 431934915 /nfs/dbraw/zinc/93/49/15/431934915.db2.gz FZLXOCLKNZBUPO-UHFFFAOYSA-N 1 0 322.456 3.107 40 0 DGABRO C1CC1c1nnc([C@H]2C[C@H]3C[N@@H+](C4CCCC4)CC[C@@H]3O2)o1 ZINC000096045987 431935137 /nfs/dbraw/zinc/93/51/37/431935137.db2.gz WVIRFXJWXYZHAI-AEGPPILISA-N 1 0 303.406 3.042 40 0 DGABRO c1csc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096047143 431935949 /nfs/dbraw/zinc/93/59/49/431935949.db2.gz GYKZWRDUHCVUNX-QGZVFWFLSA-N 1 0 314.458 3.031 40 0 DGABRO CN1c2ccccc2C2(CC[NH+](Cc3ccc(F)cc3)CC2)C1=O ZINC000096052494 431936255 /nfs/dbraw/zinc/93/62/55/431936255.db2.gz KXUBJJSDVBLGCS-UHFFFAOYSA-N 1 0 324.399 3.336 40 0 DGABRO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)s1 ZINC000096053796 431936633 /nfs/dbraw/zinc/93/66/33/431936633.db2.gz VIGHMSDUAOAPSU-HOTGVXAUSA-N 1 0 313.470 3.015 40 0 DGABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccsc1)[C@H]2C ZINC000096061977 431936693 /nfs/dbraw/zinc/93/66/93/431936693.db2.gz JLONKNOETGFAID-AWEZNQCLSA-N 1 0 318.490 3.362 40 0 DGABRO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000096061322 431936698 /nfs/dbraw/zinc/93/66/98/431936698.db2.gz HUKMJPKQQPAFJX-SFHVURJKSA-N 1 0 324.424 3.260 40 0 DGABRO Fc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1 ZINC000096056414 431936924 /nfs/dbraw/zinc/93/69/24/431936924.db2.gz VZGXIEXIPIQLHI-GUDVDZBRSA-N 1 0 319.420 3.374 40 0 DGABRO Fc1cccc(CN2C[C@H]3C[NH+](Cc4ccsc4)C[C@@H]3C2)c1 ZINC000096053856 431937142 /nfs/dbraw/zinc/93/71/42/431937142.db2.gz HOBCYVPQUSKGDG-IRXDYDNUSA-N 1 0 316.445 3.451 40 0 DGABRO c1cc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)cs1 ZINC000096106608 431938547 /nfs/dbraw/zinc/93/85/47/431938547.db2.gz WQGBUADLDUSHJP-INIZCTEOSA-N 1 0 307.459 3.298 40 0 DGABRO c1cc(C[NH+]2CCC3(C[C@H](OCC4CCC4)CO3)CC2)co1 ZINC000096106948 431938933 /nfs/dbraw/zinc/93/89/33/431938933.db2.gz OXLWRABQIDFKSU-KRWDZBQOSA-N 1 0 305.418 3.220 40 0 DGABRO CO[C@@H]1CC[N@H+](Cc2cc(C)on2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110215 431939179 /nfs/dbraw/zinc/93/91/79/431939179.db2.gz WCNYORMTRWCLFX-PKOBYXMFSA-N 1 0 314.429 3.371 40 0 DGABRO COC[C@@H]1CCC2(CCN(Cc3sccc3C)CC2)[N@@H+]1C ZINC000096216366 431942601 /nfs/dbraw/zinc/94/26/01/431942601.db2.gz WNUFDSYXDRZLQU-HNNXBMFYSA-N 1 0 308.491 3.132 40 0 DGABRO CCc1ccc(C[N@@H+]2CC[C@H](OC)[C@@H]2Cc2cccnc2)o1 ZINC000096200477 431942953 /nfs/dbraw/zinc/94/29/53/431942953.db2.gz ZOLIVUHKRLNKMW-ROUUACIJSA-N 1 0 300.402 3.069 40 0 DGABRO c1ccc(C[N@H+]2CC[C@@H](OCc3ccccn3)[C@H]3OCC[C@@H]32)cc1 ZINC000096220170 431943089 /nfs/dbraw/zinc/94/30/89/431943089.db2.gz NRKJUXVXIUQGIF-ZCNNSNEGSA-N 1 0 324.424 3.030 40 0 DGABRO Cc1ccc(C[NH+]2CCC3(CN(CC(C)C)C3=O)CC2)cc1 ZINC000096202817 431943213 /nfs/dbraw/zinc/94/32/13/431943213.db2.gz MQTVARYNMPXJKA-UHFFFAOYSA-N 1 0 300.446 3.075 40 0 DGABRO c1cc2n(c1)C[C@H](OCc1ccncc1)C[N@@H+](CC1CCC1)C2 ZINC000253588396 432400590 /nfs/dbraw/zinc/40/05/90/432400590.db2.gz BBAVJVKNQBTLGJ-LJQANCHMSA-N 1 0 311.429 3.084 40 0 DGABRO CCCCc1ncc(C[N@@H+]2CCC[C@@H](Cc3n[nH]cc3C)C2)[nH]1 ZINC000257248279 432422897 /nfs/dbraw/zinc/42/28/97/432422897.db2.gz JCXXSRYKNSZKKX-HNNXBMFYSA-N 1 0 315.465 3.239 40 0 DGABRO C[C@]12CCCN(C(=O)c3nccc4ccccc43)[C@H]1CCCC[NH2+]2 ZINC000257248352 432423197 /nfs/dbraw/zinc/42/31/97/432423197.db2.gz JDHDYHFHTYOFFR-PXNSSMCTSA-N 1 0 323.440 3.372 40 0 DGABRO Cc1ncsc1C[N@@H+]1CC[C@@H](c2ncn3ccsc23)C1 ZINC000257283824 432423892 /nfs/dbraw/zinc/42/38/92/432423892.db2.gz OZZKIKVKNKDXOF-LLVKDONJSA-N 1 0 304.444 3.150 40 0 DGABRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC000257269838 432424433 /nfs/dbraw/zinc/42/44/33/432424433.db2.gz MRPBTARLWGDERT-KRWDZBQOSA-N 1 0 310.445 3.308 40 0 DGABRO Cc1ncc(-c2cncc(C3CC[NH+](CC(C)C)CC3)n2)n1C ZINC000257264744 432424547 /nfs/dbraw/zinc/42/45/47/432424547.db2.gz LVWOFDGVJMZWLY-UHFFFAOYSA-N 1 0 313.449 3.021 40 0 DGABRO Cn1c2ccc(C[NH+]3CCC(C)(C4CC4)CC3)cc2oc1=O ZINC000353558234 434227060 /nfs/dbraw/zinc/22/70/60/434227060.db2.gz XMYUVWOHKBTCAS-UHFFFAOYSA-N 1 0 300.402 3.144 40 0 DGABRO CNc1nc(N2Cc3ccccc3CC2(C)C)cc(C(C)C)[nH+]1 ZINC000329025776 434343859 /nfs/dbraw/zinc/34/38/59/434343859.db2.gz PIUMGCFQPOMYRP-UHFFFAOYSA-N 1 0 310.445 3.983 40 0 DGABRO CC[C@@H](C)Nc1nc(NCc2cccs2)cc(C2CC2)[nH+]1 ZINC000329019424 434346881 /nfs/dbraw/zinc/34/68/81/434346881.db2.gz NWVKWPVBYMBOEV-LLVKDONJSA-N 1 0 302.447 3.082 40 0 DGABRO CC[C@@H](C)Nc1nc(NCc2ccccc2F)cc(C2CC2)[nH+]1 ZINC000329068049 434354636 /nfs/dbraw/zinc/35/46/36/434354636.db2.gz YNMFDFRINJXTMJ-GFCCVEGCSA-N 1 0 314.408 3.159 40 0 DGABRO [NH3+]C[C@H]1CC[C@H]([C@H](NC(=O)c2ccccc2)c2ccccn2)CC1 ZINC000257315596 331960740 /nfs/dbraw/zinc/96/07/40/331960740.db2.gz VCCBWXJLVRBABR-BXWFABGCSA-N 1 0 323.440 3.318 40 0 DGABRO c1ccc(C[C@H]2CC3(CO2)CC[NH+](Cc2ccccn2)CC3)nc1 ZINC000257243196 333806070 /nfs/dbraw/zinc/80/60/70/333806070.db2.gz IFVZOZJAWOAYQP-IBGZPJMESA-N 1 0 323.440 3.090 40 0 DGABRO Cc1csc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)n1 ZINC000027979804 1193870435 /nfs/dbraw/zinc/87/04/35/1193870435.db2.gz IBDMFAYKZXMNDZ-UHFFFAOYSA-N 1 0 305.403 3.283 40 0 DGABRO CC(C)[N@@H+]1CCC[C@@H](OCCc2noc(-c3ccccc3)n2)C1 ZINC001772502128 1197722001 /nfs/dbraw/zinc/72/20/01/1197722001.db2.gz ZBWARECIZMBWDN-MRXNPFEDSA-N 1 0 315.417 3.169 40 0 DGABRO C[n+]1ccccc1/C=C/c1cc2c(cc1Br)OCO2 ZINC000005002324 190620070 /nfs/dbraw/zinc/62/00/70/190620070.db2.gz CNNLUCZCAULZSM-AATRIKPKSA-N 1 0 319.178 3.173 40 0 DGABRO COc1ccc(-c2c[n+](-c3ccc(OC)cc3)c3n2CCC3)cc1 ZINC000095471943 185372612 /nfs/dbraw/zinc/37/26/12/185372612.db2.gz YGZAOPKOHNQGAF-UHFFFAOYSA-N 1 0 321.400 3.395 40 0 DGABRO Cc1cccc(C[N@@H+]2CCCC[C@H]3CN(c4ncccn4)C[C@H]32)c1 ZINC000072330682 191123927 /nfs/dbraw/zinc/12/39/27/191123927.db2.gz XYGOFIJLVCWYAF-RBUKOAKNSA-N 1 0 322.456 3.276 40 0 DGABRO c1cn(-c2cncc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)cn1 ZINC000072355451 191128820 /nfs/dbraw/zinc/12/88/20/191128820.db2.gz LTAMGFPDWZOEOS-QGZVFWFLSA-N 1 0 319.412 3.042 40 0 DGABRO COCC[NH+]1CCC(c2cncc(-c3ccccc3C)n2)CC1 ZINC000072359354 191130792 /nfs/dbraw/zinc/13/07/92/191130792.db2.gz QJVUGSQXDPPGSS-UHFFFAOYSA-N 1 0 311.429 3.278 40 0 DGABRO OCC[N@@H+]1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072357525 191129786 /nfs/dbraw/zinc/12/97/86/191129786.db2.gz COVLPLBAIPZVQC-OAHLLOKOSA-N 1 0 300.377 3.059 40 0 DGABRO Cn1cc(C[N@@H+]2CC[C@@H](Cc3cccc4cccnc43)C2)cn1 ZINC000072368005 191137259 /nfs/dbraw/zinc/13/72/59/191137259.db2.gz YUIUWTITHFEOKP-HNNXBMFYSA-N 1 0 306.413 3.033 40 0 DGABRO Cc1ccccc1-c1noc([C@H]2CC[N@H+](Cc3cccnc3)C2)n1 ZINC000072369938 191139826 /nfs/dbraw/zinc/13/98/26/191139826.db2.gz AHSSVUYRGYPCND-INIZCTEOSA-N 1 0 320.396 3.430 40 0 DGABRO Cc1cc(N)nc([C@@]2(C)CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000072388530 191146293 /nfs/dbraw/zinc/14/62/93/191146293.db2.gz NYGKBBMJIKLVSZ-LJQANCHMSA-N 1 0 321.428 3.360 40 0 DGABRO CC[C@@H](C(=O)OCCOCC[NH+](CC)CC)c1ccccc1 ZINC000002017416 180905919 /nfs/dbraw/zinc/90/59/19/180905919.db2.gz DDVUMDPCZWBYRA-QGZVFWFLSA-N 1 0 307.434 3.082 40 0 in-man DGABRO Cc1ccc(C[NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000004896120 181169571 /nfs/dbraw/zinc/16/95/71/181169571.db2.gz AUPGFMHHVUWNJE-UHFFFAOYSA-N 1 0 323.440 3.324 40 0 DGABRO C[NH+]1CCC(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000074921013 191388410 /nfs/dbraw/zinc/38/84/10/191388410.db2.gz HUFOFYYDKKVIGT-UHFFFAOYSA-N 1 0 311.223 3.120 40 0 DGABRO COc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)c(C(C)(C)C)c1 ZINC000006306051 181327832 /nfs/dbraw/zinc/32/78/32/181327832.db2.gz ZZTSUGQTZLFYFX-HNNXBMFYSA-N 1 0 321.461 3.218 40 0 DGABRO CNc1cc(C)[nH+]c([C@H]2CCN(Cc3csc(C)n3)C2)c1 ZINC000257302098 203027282 /nfs/dbraw/zinc/02/72/82/203027282.db2.gz SBNNGSQLXPDMTR-ZDUSSCGKSA-N 1 0 302.447 3.186 40 0 DGABRO C[NH+]1CCC(CCc2ccnc(NC(=O)c3ccccn3)c2)CC1 ZINC000257304543 203029982 /nfs/dbraw/zinc/02/99/82/203029982.db2.gz SMCXDJHWXFXUEV-UHFFFAOYSA-N 1 0 324.428 3.003 40 0 DGABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)Cc3cccs3)C2)c1 ZINC000257283349 203009742 /nfs/dbraw/zinc/00/97/42/203009742.db2.gz OXXIUYOYOCBRGR-CYBMUJFWSA-N 1 0 315.442 3.052 40 0 DGABRO c1ncc(C[N@H+]2CCC[C@H](Cc3ccnc4ccncc34)CC2)[nH]1 ZINC000257284327 203011867 /nfs/dbraw/zinc/01/18/67/203011867.db2.gz PCGAVQKMWGZVQD-HNNXBMFYSA-N 1 0 321.428 3.198 40 0 DGABRO Clc1ccccc1C[C@@H]1COCC[N@@H+](C2CCOCC2)C1 ZINC000257293763 203018367 /nfs/dbraw/zinc/01/83/67/203018367.db2.gz QRCMTONRVUAANO-AWEZNQCLSA-N 1 0 309.837 3.010 40 0 DGABRO C[N@@H+]1CCC[C@@H]1c1ccnc(C(=O)N2CCCCCCC2)c1 ZINC000257293968 203019283 /nfs/dbraw/zinc/01/92/83/203019283.db2.gz QRWXPGJKAJPCGF-QGZVFWFLSA-N 1 0 301.434 3.255 40 0 DGABRO O=C(c1cccnc1)N1[C@H](c2ccccc2)C[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257327344 203051222 /nfs/dbraw/zinc/05/12/22/203051222.db2.gz XAZXRSCWDVUNIT-QYZOEREBSA-N 1 0 321.424 3.180 40 0 DGABRO Cc1nc([C@@H]2CCCCN2C(=O)C(C)(C)C)cc2c[nH+]cn21 ZINC000257326749 203051558 /nfs/dbraw/zinc/05/15/58/203051558.db2.gz WYLPLJBYBGTCNX-HNNXBMFYSA-N 1 0 300.406 3.137 40 0 DGABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257328909 203052346 /nfs/dbraw/zinc/05/23/46/203052346.db2.gz XHOFEHVCWWOSRI-QGZVFWFLSA-N 1 0 319.412 3.165 40 0 DGABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3sccc3C)C2)c1 ZINC000257316792 203039951 /nfs/dbraw/zinc/03/99/51/203039951.db2.gz VHABEZPQGVBIGC-ZDUSSCGKSA-N 1 0 315.442 3.431 40 0 DGABRO Cc1ncc(CN(C)C)c([C@@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000257318830 203042895 /nfs/dbraw/zinc/04/28/95/203042895.db2.gz VPOKEPYVDPTRGA-IBGZPJMESA-N 1 0 324.472 3.226 40 0 DGABRO Fc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)c1 ZINC000019293786 182113446 /nfs/dbraw/zinc/11/34/46/182113446.db2.gz PDSMFJJFGNRRGH-HNNXBMFYSA-N 1 0 324.359 3.260 40 0 DGABRO CC(=O)NC1CC[NH+](CC2(c3cccc(F)c3)CCCC2)CC1 ZINC000019021227 182103925 /nfs/dbraw/zinc/10/39/25/182103925.db2.gz STHHSFJHHWAUTG-UHFFFAOYSA-N 1 0 318.436 3.238 40 0 DGABRO Fc1ccc(C[NH+]2CCC(c3cc4nccnc4[nH]3)CC2)cc1 ZINC000019333871 182116842 /nfs/dbraw/zinc/11/68/42/182116842.db2.gz ZUSHQLLDQJTETJ-UHFFFAOYSA-N 1 0 310.376 3.477 40 0 DGABRO c1csc(-c2noc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000019338868 182117121 /nfs/dbraw/zinc/11/71/21/182117121.db2.gz ZIMWQOHYIUIIGX-CYBMUJFWSA-N 1 0 312.398 3.183 40 0 DGABRO O=C1CC[C@@H]([NH2+]Cc2cccs2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019343752 182118025 /nfs/dbraw/zinc/11/80/25/182118025.db2.gz INQQGQBMBMZNTP-ZBFHGGJFSA-N 1 0 322.380 3.136 40 0 DGABRO Fc1ccccc1C[N@@H+]1CC[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000019348832 182118163 /nfs/dbraw/zinc/11/81/63/182118163.db2.gz VRZXYZGKJRQKQT-HNNXBMFYSA-N 1 0 324.359 3.260 40 0 DGABRO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000019831686 182155055 /nfs/dbraw/zinc/15/50/55/182155055.db2.gz KXTSFORODAANHT-SQNIBIBYSA-N 1 0 321.468 3.498 40 0 DGABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000020486173 182223091 /nfs/dbraw/zinc/22/30/91/182223091.db2.gz OFFCDIRKODXGDY-SFHVURJKSA-N 1 0 318.461 3.145 40 0 DGABRO COc1ccc(C[NH2+]CCc2ccccc2F)c(OC)c1OC ZINC000022074692 182307754 /nfs/dbraw/zinc/30/77/54/182307754.db2.gz JSDSZGCQZLUNIQ-UHFFFAOYSA-N 1 0 319.376 3.184 40 0 DGABRO O[C@]1(c2ccccc2)CN(c2ccccc2)C2=[N+]1CCCCC2 ZINC000022407957 182320696 /nfs/dbraw/zinc/32/06/96/182320696.db2.gz NKRVKLGGPMFTQL-FQEVSTJZSA-N 1 0 307.417 3.337 40 0 DGABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+](C)C ZINC000022515109 182324097 /nfs/dbraw/zinc/32/40/97/182324097.db2.gz MIZAMTAXGMHMDR-AWEZNQCLSA-N 1 0 314.882 3.279 40 0 DGABRO CC1CC[NH+](CCCNC(=O)c2ccc(Cl)cc2F)CC1 ZINC000041906610 183224541 /nfs/dbraw/zinc/22/45/41/183224541.db2.gz YGRUMXCFMBNSDL-UHFFFAOYSA-N 1 0 312.816 3.331 40 0 DGABRO Cc1cccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000044080826 183394445 /nfs/dbraw/zinc/39/44/45/183394445.db2.gz FUENMFWOUGBQPG-OAHLLOKOSA-N 1 0 305.491 3.403 40 0 DGABRO 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COC[C@@H]1C[N@H+](CC2CC2)Cc2cn(CC3CCCC3)nc21 ZINC000096059996 431936604 /nfs/dbraw/zinc/93/66/04/431936604.db2.gz QGRTZCZNLAJJIB-KRWDZBQOSA-N 1 0 303.450 3.029 40 0 DGABRO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)s1 ZINC000096057885 431937056 /nfs/dbraw/zinc/93/70/56/431937056.db2.gz LHVZQGXSCLYCLR-GVDBMIGSSA-N 1 0 307.459 3.215 40 0 DGABRO COCCC[N@@H+]1CCCC12CCN(Cc1cccc(F)c1)CC2 ZINC000096075267 431937792 /nfs/dbraw/zinc/93/77/92/431937792.db2.gz QTXLKASXFJIXPC-UHFFFAOYSA-N 1 0 320.452 3.293 40 0 DGABRO Cc1nc(CO[C@@H]2CO[C@@]3(CC[N@H+](CC4CCC4)C3)C2)cs1 ZINC000096072409 431938309 /nfs/dbraw/zinc/93/83/09/431938309.db2.gz IXBCUGMTJCVEON-IRXDYDNUSA-N 1 0 322.474 3.002 40 0 DGABRO CO[C@H]1CC[N@@H+](C2CCOCC2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110535 431938401 /nfs/dbraw/zinc/93/84/01/431938401.db2.gz FDCXTPQRBSGJGM-HKUYNNGSSA-N 1 0 303.446 3.053 40 0 DGABRO CO[C@H]1COC2(C1)CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000096106540 431938992 /nfs/dbraw/zinc/93/89/92/431938992.db2.gz WCSFQGXSWXZUJB-QGZVFWFLSA-N 1 0 312.413 3.005 40 0 DGABRO Cc1cccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccsc2)n1 ZINC000096184739 431941419 /nfs/dbraw/zinc/94/14/19/431941419.db2.gz OKKMGSVCPLYIFB-MSOLQXFVSA-N 1 0 313.470 3.300 40 0 DGABRO Cc1ccc(CN2CC3(C2)CC[N@H+](Cc2ccncc2)C3)s1 ZINC000096202552 431942897 /nfs/dbraw/zinc/94/28/97/431942897.db2.gz NSXZHIIXJQBQRS-UHFFFAOYSA-N 1 0 313.470 3.159 40 0 DGABRO c1coc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)c1 ZINC000096200781 431943058 /nfs/dbraw/zinc/94/30/58/431943058.db2.gz RDCOTLOJEVQQKJ-OALUTQOASA-N 1 0 312.413 3.287 40 0 DGABRO c1nc2n(c1-c1ccccc1)C[C@H](C[NH2+]C1CCCCC1)OC2 ZINC000096269364 431943733 /nfs/dbraw/zinc/94/37/33/431943733.db2.gz UYFOBCXJUBBYKX-KRWDZBQOSA-N 1 0 311.429 3.371 40 0 biogenic,in-vitro DGABRO O=C(Cc1cccs1)NCc1ccccc1C[NH+]1CCCC1 ZINC000052399651 431955918 /nfs/dbraw/zinc/95/59/18/431955918.db2.gz CRQNZRMFIJHZAE-UHFFFAOYSA-N 1 0 314.454 3.203 40 0 DGABRO CC1=C[C@H](C)[C@H]([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)[C@H](C)C1 ZINC000053944166 431965694 /nfs/dbraw/zinc/96/56/94/431965694.db2.gz MPVKDSOURSACLP-SHUKQUCYSA-N 1 0 309.417 3.323 40 0 DGABRO CN(Cc1ccc2cccc(Cl)c2n1)C[C@H]1CC[N@H+](C)C1 ZINC000056682337 431988621 /nfs/dbraw/zinc/98/86/21/431988621.db2.gz DFNIKCRYFFWXPL-ZDUSSCGKSA-N 1 0 303.837 3.272 40 0 DGABRO CC(C)[NH2+]C1CCN(c2ccnc(Cc3ccccc3)n2)CC1 ZINC000184019811 432345757 /nfs/dbraw/zinc/34/57/57/432345757.db2.gz IJXHPEYONGFCOL-UHFFFAOYSA-N 1 0 310.445 3.034 40 0 DGABRO c1cc(C[C@@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000257232313 432420359 /nfs/dbraw/zinc/42/03/59/432420359.db2.gz GKIILHVYIYFKAB-HNNXBMFYSA-N 1 0 309.413 3.140 40 0 DGABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCc2ccccc2)c1 ZINC000257229693 432420508 /nfs/dbraw/zinc/42/05/08/432420508.db2.gz FZEHSYWJWHBVII-UHFFFAOYSA-N 1 0 317.392 3.137 40 0 DGABRO O=C1CCC[C@]2(C[N@@H+](CC3CCC3)C[C@H]2c2ccccc2F)N1 ZINC000257230526 432421153 /nfs/dbraw/zinc/42/11/53/432421153.db2.gz GCSQGQGIGGATSB-QFBILLFUSA-N 1 0 316.420 3.064 40 0 DGABRO CCN(C(C)=O)[C@@H]1C[N@H+](Cc2cccnc2)C2(C1)CCCCC2 ZINC000257243757 432422113 /nfs/dbraw/zinc/42/21/13/432422113.db2.gz IIKYOQSABPSVMT-SFHVURJKSA-N 1 0 315.461 3.227 40 0 DGABRO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257238936 432422378 /nfs/dbraw/zinc/42/23/78/432422378.db2.gz HNELXXRIXTULLA-UHZRXMQZSA-N 1 0 312.457 3.139 40 0 DGABRO CO[C@H]1CC[N@H+](Cc2cccc3cccnc32)C[C@@]12CCCO2 ZINC000257318093 432424577 /nfs/dbraw/zinc/42/45/77/432424577.db2.gz VMMHVTCJJVRUEE-HKUYNNGSSA-N 1 0 312.413 3.005 40 0 DGABRO C[N@@H+](Cc1ccc(OCCF)cc1)C[C@@H](O)c1ccccc1 ZINC000257321823 432425214 /nfs/dbraw/zinc/42/52/14/432425214.db2.gz WDJRTGRRKWDVPA-GOSISDBHSA-N 1 0 303.377 3.200 40 0 DGABRO C[NH2+][C@@H]1CCC[C@@H](Nc2cccc(Oc3ccccc3)c2)[C@@H]1O ZINC000257264416 432425290 /nfs/dbraw/zinc/42/52/90/432425290.db2.gz LUGZNLUUIYNZOD-GUDVDZBRSA-N 1 0 312.413 3.392 40 0 DGABRO O=C1OC2(CN1c1cccc([C@@H]3CCC[NH2+]C3)n1)CCCCC2 ZINC000257270696 432425706 /nfs/dbraw/zinc/42/57/06/432425706.db2.gz MVHBHZMHUZYXLP-CQSZACIVSA-N 1 0 315.417 3.208 40 0 DGABRO CC1CC(CN2c3ccc(SCC[NH3+])cc3CCC2=O)C1 ZINC000218818535 432660103 /nfs/dbraw/zinc/66/01/03/432660103.db2.gz MFHWFMNDKKFPHL-UHFFFAOYSA-N 1 0 304.459 3.063 40 0 DGABRO c1ccc(CO[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@@H]3CCC[C@H]32)cc1 ZINC000218849602 432660687 /nfs/dbraw/zinc/66/06/87/432660687.db2.gz AOIYHYXUOPSXOB-YSTOQKLRSA-N 1 0 314.473 3.341 40 0 DGABRO Cc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nc1 ZINC000225731698 432695370 /nfs/dbraw/zinc/69/53/70/432695370.db2.gz CGDXDCJXESHFJS-HUUCEWRRSA-N 1 0 320.506 3.044 40 0 DGABRO c1ccc(CO[C@@H]2CCCC[C@@H]2[N@@H+]2CCN[C@@H]3CCC[C@@H]32)cc1 ZINC000225717999 432696431 /nfs/dbraw/zinc/69/64/31/432696431.db2.gz AOIYHYXUOPSXOB-FUMNGEBKSA-N 1 0 314.473 3.341 40 0 DGABRO COc1ccc(Cl)cc1C(=O)NCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225039495 432684813 /nfs/dbraw/zinc/68/48/13/432684813.db2.gz UPOYVRKAGGSLMG-BETUJISGSA-N 1 0 324.852 3.056 40 0 DGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccccc1F ZINC000225448434 432692007 /nfs/dbraw/zinc/69/20/07/432692007.db2.gz QTBHFASZZLWKCL-MRXNPFEDSA-N 1 0 306.425 3.139 40 0 DGABRO Clc1ccc(-c2nc(N3CC[NH2+]CC3)nc3ccccc32)cc1 ZINC000095618963 294102968 /nfs/dbraw/zinc/10/29/68/294102968.db2.gz XCGKTWCQAOWYIP-UHFFFAOYSA-N 1 0 324.815 3.360 40 0 DGABRO CO[C@@H]1CCC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000377240538 313031600 /nfs/dbraw/zinc/03/16/00/313031600.db2.gz DGSQLCVOLMDNPC-GOSISDBHSA-N 1 0 313.445 3.490 40 0 DGABRO c1csc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccncc5)cnc4[C@H]3C2)c1 ZINC000306134016 534520746 /nfs/dbraw/zinc/52/07/46/534520746.db2.gz NBTXCAPYJYBIDC-ZBFHGGJFSA-N 1 0 322.437 3.236 40 0 DGABRO CC(C)CC[N@@H+]1CCOc2c(nc(-c3ccccc3)[nH]c2=O)C1 ZINC000306139806 527727145 /nfs/dbraw/zinc/72/71/45/527727145.db2.gz UBHNTHWDWAUNQW-UHFFFAOYSA-N 1 0 313.401 3.090 40 0 DGABRO CCC1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000176629189 528991412 /nfs/dbraw/zinc/99/14/12/528991412.db2.gz LSZJIPKKWDKRFW-UHFFFAOYSA-N 1 0 300.446 3.348 40 0 DGABRO ClC1C=CC(=C(OC2CC[NH2+]CC2)c2ccccn2)C=C1 ZINC001560407488 1189325003 /nfs/dbraw/zinc/32/50/03/1189325003.db2.gz JQQDQIMVFNPHDJ-UHFFFAOYSA-N 1 0 301.797 3.458 40 0 DGABRO