smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN2CC(C)C)n1 ZINC000072363453 191131720 /nfs/dbraw/zinc/13/17/20/191131720.db2.gz BWUWOQYDXHSMFZ-HNNXBMFYSA-N 0 3 312.421 3.112 40 0 DGABHN Cc1csc(C2CCN(C(=O)[C@]3(C)CCCCN3C)CC2)n1 ZINC000072367312 191137549 /nfs/dbraw/zinc/13/75/49/191137549.db2.gz VOMCGPWXMFWPMR-KRWDZBQOSA-N 0 3 321.490 3.032 40 0 DGABHN CCN(CCN(C)C)C(=O)C(c1ccccc1)c1ccccc1 ZINC000001726187 180892218 /nfs/dbraw/zinc/89/22/18/180892218.db2.gz FXVKCXUBAUNYLN-UHFFFAOYSA-N 0 3 310.441 3.229 40 0 DGABHN CN1CCC(CC(=O)Nc2ccccc2Br)CC1 ZINC000074921052 191388147 /nfs/dbraw/zinc/38/81/47/191388147.db2.gz WJGLLYSJAUHRLK-UHFFFAOYSA-N 0 3 311.223 3.120 40 0 DGABHN O=Cc1c(=O)[nH]c2ccccc2c1NCCN1CCCCCC1 ZINC000006681839 181370194 /nfs/dbraw/zinc/37/01/94/181370194.db2.gz UESPUYSWNWYTGC-UHFFFAOYSA-N 0 3 313.401 3.041 40 0 DGABHN Cc1ncc(CN(C)C)c([C@H]2CCCN2Cc2ccsc2)n1 ZINC000257274163 203002630 /nfs/dbraw/zinc/00/26/30/203002630.db2.gz NJVDBGNILNUNOG-MRXNPFEDSA-N 0 3 316.474 3.245 40 0 DGABHN CCc1nc(C)c(CN2CCC[C@@H](c3ccnc(NC)c3)C2)[nH]1 ZINC000257329398 203053329 /nfs/dbraw/zinc/05/33/29/203053329.db2.gz XJVHALPHGWBKLC-OAHLLOKOSA-N 0 3 313.449 3.097 40 0 DGABHN CCCCc1nc(CN2CCC[C@H](c3n[nH]cc3C)C2)c[nH]1 ZINC000257321576 203045449 /nfs/dbraw/zinc/04/54/49/203045449.db2.gz WCFJEBNAVGAOOI-AWEZNQCLSA-N 0 3 301.438 3.163 40 0 DGABHN CCCCc1ncc(CN2CCC[C@H](c3n[nH]cc3C)C2)[nH]1 ZINC000257321576 203045452 /nfs/dbraw/zinc/04/54/52/203045452.db2.gz WCFJEBNAVGAOOI-AWEZNQCLSA-N 0 3 301.438 3.163 40 0 DGABHN c1cc(C[C@@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)n[nH]1 ZINC000257323836 203046749 /nfs/dbraw/zinc/04/67/49/203046749.db2.gz WMANCZHUPGBMJU-HNNXBMFYSA-N 0 3 321.428 3.255 40 0 DGABHN CCOC[C@H]1CCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093838873 193314412 /nfs/dbraw/zinc/31/44/12/193314412.db2.gz YQITYADVKKDJCA-KRWDZBQOSA-N 0 3 313.445 3.348 40 0 DGABHN CC(C)CN1CCC2(CCN(Cc3ccc(F)cc3)CC2)C1=O ZINC000096046769 193499703 /nfs/dbraw/zinc/49/97/03/193499703.db2.gz HNMWLMWNYZUETE-UHFFFAOYSA-N 0 3 318.436 3.296 40 0 DGABHN Fc1ccc(CN2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019340985 182117173 /nfs/dbraw/zinc/11/71/73/182117173.db2.gz KXMJBUKKFGONFI-HNNXBMFYSA-N 0 3 324.359 3.260 40 0 DGABHN O=C1CC[C@@H](NCc2ccsc2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019406548 182121360 /nfs/dbraw/zinc/12/13/60/182121360.db2.gz HNUWBNWIRBHSII-ZBFHGGJFSA-N 0 3 322.380 3.136 40 0 DGABHN CCCC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C ZINC000019501682 182126283 /nfs/dbraw/zinc/12/62/83/182126283.db2.gz NFKQSANNJGNMJN-JFIYKMOQSA-N 0 3 304.409 3.014 40 0 DGABHN COc1ccc(CN2CCC(c3cc(=O)cc(C)[nH]3)CC2)cc1 ZINC000019570418 182131563 /nfs/dbraw/zinc/13/15/63/182131563.db2.gz IGVWUONQQMTOOX-UHFFFAOYSA-N 0 3 312.413 3.484 40 0 DGABHN Cc1cc(C)n(C2CCN(Cc3c(C)nc4ccccn43)CC2)n1 ZINC000019659049 182135179 /nfs/dbraw/zinc/13/51/79/182135179.db2.gz WPTOUWKXCCRTGA-UHFFFAOYSA-N 0 3 323.444 3.293 40 0 DGABHN Cc1ccc(CNCc2cc3cc(C)ccc3n3nnnc23)cc1 ZINC000020151096 182192219 /nfs/dbraw/zinc/19/22/19/182192219.db2.gz AEZAANVEIGBCRJ-UHFFFAOYSA-N 0 3 317.396 3.184 40 0 DGABHN Cc1cc([C@H](N)c2ccccc2)cnc1I ZINC000072225965 257123567 /nfs/dbraw/zinc/12/35/67/257123567.db2.gz DSRMYCSDIKWRLD-GFCCVEGCSA-N 0 3 324.165 3.043 40 0 DGABHN CC(C)(C)OC(=O)N1[C@H]([C@@H](N)c2ccccc2)COC1(C)C ZINC000072208810 257128345 /nfs/dbraw/zinc/12/83/45/257128345.db2.gz OEXNURJONFKAOX-KBPBESRZSA-N 0 3 306.406 3.058 40 0 DGABHN C[C@@H]1CN([C@@H](CN)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000020549075 257130279 /nfs/dbraw/zinc/13/02/79/257130279.db2.gz XFLUILIYAOXTNV-RULNRJAQSA-N 0 3 303.233 3.102 40 0 DGABHN COCC[C@H]1CCOC12CCN(Cc1ccc(OC)cc1)CC2 ZINC000585103098 400125748 /nfs/dbraw/zinc/12/57/48/400125748.db2.gz QADOZAAYJWTXTG-KRWDZBQOSA-N 0 3 319.445 3.103 40 0 DGABHN COc1ccc2c(c1)CN(C1CCCC1)CC[C@H]1COC(=O)N21 ZINC000225492002 286399026 /nfs/dbraw/zinc/39/90/26/286399026.db2.gz JOEQEOIELNWOOK-HNNXBMFYSA-N 0 3 316.401 3.169 40 0 biogenic,in-vitro DGABHN C[C@@H](c1ccccn1)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100191361 287152913 /nfs/dbraw/zinc/15/29/13/287152913.db2.gz RJJBZKVBRLYUMB-GJZGRUSLSA-N 0 3 319.449 3.379 40 0 DGABHN Cc1ccc2nc3n(c2c1)[C@@H](CNCc1ccccc1)COC3 ZINC000096112824 274785137 /nfs/dbraw/zinc/78/51/37/274785137.db2.gz XVSKFJWJCJTYGI-INIZCTEOSA-N 0 3 307.397 3.206 40 0 biogenic,in-vitro DGABHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(F)cc2)C1 ZINC000067801327 275519505 /nfs/dbraw/zinc/51/95/05/275519505.db2.gz PEYGKVHAIBEIBV-HNNXBMFYSA-N 0 3 308.397 3.315 40 0 DGABHN CC(C)(C)OC(=O)N1CCC([C@H](N)c2ccccc2F)CC1 ZINC000255190798 277181596 /nfs/dbraw/zinc/18/15/96/277181596.db2.gz ZOMJFZGZALNVFY-HNNXBMFYSA-N 0 3 308.397 3.473 40 0 DGABHN Cc1ccccc1N1CCN([C@H]2CCc3cc(O)ccc3C2)CC1 ZINC000000000792 431111416 /nfs/dbraw/zinc/11/14/16/431111416.db2.gz ZYGBSDBJSDMKLV-IBGZPJMESA-N 0 3 322.452 3.380 40 0 in-man DGABHN Cc1cc(N2CCNCC2)c2cc(Br)cc(C)c2n1 ZINC000068136538 431113927 /nfs/dbraw/zinc/11/39/27/431113927.db2.gz LJKQVBHDVHPKPS-UHFFFAOYSA-N 0 3 320.234 3.024 40 0 DGABHN c1cnc([N-]c2nccc([C@H]3CCC[N@@H+]3C3CCCCC3)n2)cn1 ZINC000072377355 431337303 /nfs/dbraw/zinc/33/73/03/431337303.db2.gz NXGBRVGXGVGITF-MRXNPFEDSA-N 0 3 324.432 3.480 40 0 DGABHN c1cnc([N-]c2nccc([C@H]3CCC[N@H+]3C3CCCCC3)n2)cn1 ZINC000072377355 431337307 /nfs/dbraw/zinc/33/73/07/431337307.db2.gz NXGBRVGXGVGITF-MRXNPFEDSA-N 0 3 324.432 3.480 40 0 DGABHN CCOc1cccc(CNCCOC)c1OCc1ccccc1 ZINC000007539495 431354082 /nfs/dbraw/zinc/35/40/82/431354082.db2.gz ICCMEZXDZVDMDZ-UHFFFAOYSA-N 0 3 315.413 3.400 40 0 DGABHN CCOc1cc(CNCCOC)ccc1OCc1ccccc1 ZINC000008254634 431387390 /nfs/dbraw/zinc/38/73/90/431387390.db2.gz DGBJDLIXYSLOJG-UHFFFAOYSA-N 0 3 315.413 3.400 40 0 DGABHN O=C(NC1CCN(CC2(c3ccccc3)CC2)CC1)C1CCC1 ZINC000012337238 431501432 /nfs/dbraw/zinc/50/14/32/431501432.db2.gz HTLZAILGTVESDG-UHFFFAOYSA-N 0 3 312.457 3.099 40 0 DGABHN CC[C@@H](CN1CCCCC1)NC(=O)C1(c2cccc(F)c2)CC1 ZINC000012362993 431504104 /nfs/dbraw/zinc/50/41/04/431504104.db2.gz SMYLKMAVONSAOQ-KRWDZBQOSA-N 0 3 318.436 3.238 40 0 DGABHN Cn1cc(CN2CCC[C@@H](c3cc4ccccc4cn3)C2)cn1 ZINC000012337384 431504414 /nfs/dbraw/zinc/50/44/14/431504414.db2.gz LMAXCHXFKRBXBQ-GOSISDBHSA-N 0 3 306.413 3.348 40 0 DGABHN C[C@H]1C[C@H](CC(=O)N[C@@H]2CCN(CC3CC3)C2)CC(C)(C)C1 ZINC000078570623 431682532 /nfs/dbraw/zinc/68/25/32/431682532.db2.gz NIUIYONNBJSBMH-USXIJHARSA-N 0 3 306.494 3.439 40 0 DGABHN N[C@@H](c1nc(COc2ccc(Cl)cc2)n[nH]1)c1ccccc1 ZINC000095533383 431926370 /nfs/dbraw/zinc/92/63/70/431926370.db2.gz KYMRWCOBVITEBW-OAHLLOKOSA-N 0 3 314.776 3.085 40 0 DGABHN COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000095533671 431925954 /nfs/dbraw/zinc/92/59/54/431925954.db2.gz LTNRKKNWRQTNOG-CQSZACIVSA-N 0 3 314.776 3.182 40 0 DGABHN c1cc(CN2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)co1 ZINC000096046944 431934958 /nfs/dbraw/zinc/93/49/58/431934958.db2.gz NAVOQRSEMVYFPF-LJQANCHMSA-N 0 3 311.429 3.163 40 0 DGABHN c1ccc(Cc2nnc([C@H]3CCN(Cc4ccncc4)C3)o2)cc1 ZINC000049169856 431937088 /nfs/dbraw/zinc/93/70/88/431937088.db2.gz AUOXZKIMOASVKF-KRWDZBQOSA-N 0 3 320.396 3.045 40 0 biogenic,in-vitro DGABHN O=C1C[C@@H]2[C@H](CCN2Cc2cccs2)N1c1ccsc1 ZINC000096055725 431937152 /nfs/dbraw/zinc/93/71/52/431937152.db2.gz TZISFZMYWHDBRZ-UONOGXRCSA-N 0 3 304.440 3.189 40 0 DGABHN CCOC[C@@H]1COCCC12CCN(Cc1ccsc1)CC2 ZINC000096106386 431938831 /nfs/dbraw/zinc/93/88/31/431938831.db2.gz RVVUWPGITWPXHT-MRXNPFEDSA-N 0 3 309.475 3.403 40 0 DGABHN c1ccc(CN2CC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cc1 ZINC000096107800 431938900 /nfs/dbraw/zinc/93/89/00/431938900.db2.gz KVFIAGLMNOHSFL-UXHICEINSA-N 0 3 324.424 3.032 40 0 DGABHN CO[C@@H]1CCN(Cc2cccc(C)n2)C[C@@H]1Cc1ccccc1 ZINC000096110153 431939247 /nfs/dbraw/zinc/93/92/47/431939247.db2.gz QYEQQIZEIILARP-AZUAARDMSA-N 0 3 310.441 3.470 40 0 DGABHN CC(C)(C)CC(=O)N1CCC2(CC1)CNCc1ccccc12 ZINC000096156920 431940417 /nfs/dbraw/zinc/94/04/17/431940417.db2.gz FHNZQMVZIOPFGK-UHFFFAOYSA-N 0 3 300.446 3.086 40 0 DGABHN COC[C@@H]1Cn2cncc2CN(Cc2cccc3ccccc32)C1 ZINC000096217326 431942262 /nfs/dbraw/zinc/94/22/62/431942262.db2.gz USXTUELYOGRYDB-INIZCTEOSA-N 0 3 321.424 3.315 40 0 DGABHN CC(C)c1ccc(CN2C[C@@H]3[C@H](C2)OCCN3C(C)C)cc1 ZINC000096248690 431943361 /nfs/dbraw/zinc/94/33/61/431943361.db2.gz ZYNICZSJINQBDR-MOPGFXCFSA-N 0 3 302.462 3.103 40 0 DGABHN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N)c1ccccc1O2 ZINC000051943385 431952792 /nfs/dbraw/zinc/95/27/92/431952792.db2.gz RHRIIQVZXVYVIE-AWEZNQCLSA-N 0 3 318.417 3.239 40 0 DGABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)c1 ZINC000257219458 432417692 /nfs/dbraw/zinc/41/76/92/432417692.db2.gz DGVREHFJEJKETD-CQSZACIVSA-N 0 3 313.376 3.201 40 0 DGABHN CCn1cc(CN2CCC[C@@H](Cc3cccc(C)n3)C2)c(C)n1 ZINC000257214606 432417917 /nfs/dbraw/zinc/41/79/17/432417917.db2.gz CMPPTYRIABPXPX-KRWDZBQOSA-N 0 3 312.461 3.370 40 0 DGABHN Cc1csc(Nc2cc(C)nc([C@H]3CCCN(C)C3)n2)n1 ZINC000257209392 432417976 /nfs/dbraw/zinc/41/79/76/432417976.db2.gz BQECITBXRFDPKL-LBPRGKRZSA-N 0 3 303.435 3.103 40 0 DGABHN c1cc(C[C@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000257232314 432421112 /nfs/dbraw/zinc/42/11/12/432421112.db2.gz GKIILHVYIYFKAB-OAHLLOKOSA-N 0 3 309.413 3.140 40 0 DGABHN COc1ccc(Cl)cc1C(=O)NCCN1C[C@H](C)C[C@@H](C)C1 ZINC000225039537 432685201 /nfs/dbraw/zinc/68/52/01/432685201.db2.gz UPOYVRKAGGSLMG-CHWSQXEVSA-N 0 3 324.852 3.056 40 0 DGABHN C[C@@H]1CN([C@@H](CN)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000037424738 297069083 /nfs/dbraw/zinc/06/90/83/297069083.db2.gz XKHZFFVTORRINN-RBZYPMLTSA-N 0 3 303.233 3.102 40 0 DGABHN CN(C)CCN(Cc1ccncc1)Cc1ccc(Cl)cc1 ZINC000023247740 282097774 /nfs/dbraw/zinc/09/77/74/282097774.db2.gz GKROTWVZAOVSFS-UHFFFAOYSA-N 0 3 303.837 3.299 40 0 DGABHN CN1CCC2(CCN(Cc3ccc4c(c3)CCCC4)CC2)C1=O ZINC000430082949 530051340 /nfs/dbraw/zinc/05/13/40/530051340.db2.gz GIOWQWLEQMZTPJ-UHFFFAOYSA-N 0 3 312.457 3.010 40 0 DGABHN C[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000072203929 191075750 /nfs/dbraw/zinc/07/57/50/191075750.db2.gz XHVIHPAHSMZJAP-ZIAGYGMSSA-N 0 3 305.422 3.132 40 0 DGABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C(F)(F)F ZINC000225586587 186280459 /nfs/dbraw/zinc/28/04/59/186280459.db2.gz HLRIEYNIUMLUPR-UHFFFAOYSA-N 0 3 316.323 3.052 40 0 DGABHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1ccc(Br)s1 ZINC000072324661 191123678 /nfs/dbraw/zinc/12/36/78/191123678.db2.gz DHYMOBDSLLFTKQ-GHMZBOCLSA-N 0 3 315.280 3.179 40 0 DGABHN Cc1ccccc1-c1noc([C@@H]2CCN(Cc3cccnc3)C2)n1 ZINC000072369937 191138874 /nfs/dbraw/zinc/13/88/74/191138874.db2.gz AHSSVUYRGYPCND-MRXNPFEDSA-N 0 3 320.396 3.430 40 0 DGABHN c1cc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)co1 ZINC000107711929 432037731 /nfs/dbraw/zinc/03/77/31/432037731.db2.gz IIGWTLYDUWSVMC-ROUUACIJSA-N 0 3 305.418 3.077 40 0 DGABHN CCCCCOC(=O)c1cccc(NC(=O)CNCCCC)c1 ZINC000004792047 181152599 /nfs/dbraw/zinc/15/25/99/181152599.db2.gz YOCJQJNPJSTUSJ-UHFFFAOYSA-N 0 3 320.433 3.362 40 0 DGABHN CC(=O)O[C@H](c1ccnc2ccccc21)[C@H]1CC2CCN1CC2 ZINC000004822394 181157437 /nfs/dbraw/zinc/15/74/37/181157437.db2.gz AQPAKLCDHXUDCB-RTBURBONSA-N 0 3 310.397 3.323 40 0 DGABHN CC(C)(C)c1cc(CC2(NCC3CCCCC3)COC2)no1 ZINC000067897835 432045462 /nfs/dbraw/zinc/04/54/62/432045462.db2.gz WYIICGFYVVEJAQ-UHFFFAOYSA-N 0 3 306.450 3.454 40 0 biogenic,in-vitro DGABHN CC(C)Cc1cc(CC2(NCC3CCCCC3)COC2)no1 ZINC000067898211 432045855 /nfs/dbraw/zinc/04/58/55/432045855.db2.gz DAFVNIJPCZBSJD-UHFFFAOYSA-N 0 3 306.450 3.355 40 0 biogenic,in-vitro DGABHN CCOC(=O)Cc1nc2sc3c(c2c(Cl)n1)CCCC3 ZINC000005459031 181246515 /nfs/dbraw/zinc/24/65/15/181246515.db2.gz GTFMYWFQVHIDLV-UHFFFAOYSA-N 0 3 310.806 3.329 40 0 DGABHN Cc1c[nH]nc1[C@H]1CCN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257328908 203052220 /nfs/dbraw/zinc/05/22/20/203052220.db2.gz XHOFEHVCWWOSRI-KRWDZBQOSA-N 0 3 319.412 3.165 40 0 DGABHN Cc1nc(Nc2cc([C@@H]3CCN(C)C3)nc(C)n2)sc1C ZINC000257317666 203040131 /nfs/dbraw/zinc/04/01/31/203040131.db2.gz VKRLCHMQHPJEKR-GFCCVEGCSA-N 0 3 303.435 3.021 40 0 DGABHN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1 ZINC000029474324 284291755 /nfs/dbraw/zinc/29/17/55/284291755.db2.gz JUKMAYKVHWKRKY-QWHCGFSZSA-N 0 3 302.201 3.392 40 0 DGABHN COc1ccccc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019359710 182118759 /nfs/dbraw/zinc/11/87/59/182118759.db2.gz UOKVAMYHHWWGJP-ZIFCJYIRSA-N 0 3 312.457 3.025 40 0 DGABHN CCN(CC)CCN1CSC(=S)N(Cc2ccccc2)C1 ZINC000019364681 182119237 /nfs/dbraw/zinc/11/92/37/182119237.db2.gz CUKWCGLNAHPBJC-UHFFFAOYSA-N 0 3 323.531 3.079 40 0 DGABHN COc1cccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019565324 182130462 /nfs/dbraw/zinc/13/04/62/182130462.db2.gz LSCJARFBTCSRKH-NEWSRXKRSA-N 0 3 312.457 3.025 40 0 DGABHN Cc1noc(C)c1C(=O)N1CCC(c2cc3c[nH]ccc-3n2)CC1 ZINC000019579874 182130828 /nfs/dbraw/zinc/13/08/28/182130828.db2.gz TUCAGLOMSGIREI-UHFFFAOYSA-N 0 3 324.384 3.188 40 0 DGABHN Cc1noc(C)c1C(=O)N1CCC(c2cc3cnccc3[nH]2)CC1 ZINC000019579874 182130830 /nfs/dbraw/zinc/13/08/30/182130830.db2.gz TUCAGLOMSGIREI-UHFFFAOYSA-N 0 3 324.384 3.188 40 0 DGABHN Fc1ccccc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019842417 182155646 /nfs/dbraw/zinc/15/56/46/182155646.db2.gz MPKNCPVSEPNVPJ-RYRKJORJSA-N 0 3 300.421 3.156 40 0 DGABHN Fc1cccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019789362 182149044 /nfs/dbraw/zinc/14/90/44/182149044.db2.gz AZSDHGDESITJQU-NJAFHUGGSA-N 0 3 300.421 3.156 40 0 DGABHN CC(C)CNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038832389 183011329 /nfs/dbraw/zinc/01/13/29/183011329.db2.gz KTYVTJHAIHZVQH-OAHLLOKOSA-N 0 3 308.853 3.324 40 0 DGABHN Cc1cc([C@@H]2CCCCN2C(C)C)cnc1N1CCOCC1 ZINC000072219360 257124474 /nfs/dbraw/zinc/12/44/74/257124474.db2.gz NSVFESPTSAKIAK-KRWDZBQOSA-N 0 3 303.450 3.162 40 0 DGABHN c1ccc(CN2CCC[C@H]2c2cccnc2N2CCOCC2)cc1 ZINC000072216212 257125406 /nfs/dbraw/zinc/12/54/06/257125406.db2.gz NEYRVEFZNJBIQE-IBGZPJMESA-N 0 3 323.440 3.255 40 0 DGABHN COCC[C@@H]1CCOC12CCN(Cc1ccc(OC)cc1)CC2 ZINC000585103100 400125295 /nfs/dbraw/zinc/12/52/95/400125295.db2.gz QADOZAAYJWTXTG-QGZVFWFLSA-N 0 3 319.445 3.103 40 0 DGABHN C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccccn1 ZINC000585108943 400126157 /nfs/dbraw/zinc/12/61/57/400126157.db2.gz GZOCEMXSAOCPQS-SNRMKQJTSA-N 0 3 321.424 3.018 40 0 DGABHN O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1NCc1ccccc1F ZINC000585288855 400130135 /nfs/dbraw/zinc/13/01/35/400130135.db2.gz KFVZBXYNISTPPJ-IPMKNSEASA-N 0 3 315.388 3.276 40 0 DGABHN O=C1N(c2ccccc2)CC12CCN(Cc1cccs1)CC2 ZINC000096202912 275021390 /nfs/dbraw/zinc/02/13/90/275021390.db2.gz MLQIWBWCXOTNCD-UHFFFAOYSA-N 0 3 312.438 3.377 40 0 DGABHN O=C1Nc2ccccc2C12CCN(Cc1ccc(F)cc1)CC2 ZINC000109851348 275024932 /nfs/dbraw/zinc/02/49/32/275024932.db2.gz KPMRZKSKGQKESL-UHFFFAOYSA-N 0 3 310.372 3.312 40 0 DGABHN CCN(Cc1ccccc1)C[C@H](O)COc1ccc(F)cc1 ZINC000001469910 431229749 /nfs/dbraw/zinc/22/97/49/431229749.db2.gz ZZOZLKXQFLFSQC-KRWDZBQOSA-N 0 3 303.377 3.088 40 0 DGABHN NCc1c(-c2ccc(Br)cc2)nc2sccn12 ZINC000002510954 431253995 /nfs/dbraw/zinc/25/39/95/431253995.db2.gz RBHGFZMBPWDIAR-UHFFFAOYSA-N 0 3 308.204 3.284 40 0 DGABHN CCOc1cc(CNC2CC2)cc(Br)c1OCC ZINC000008253808 431388616 /nfs/dbraw/zinc/38/86/16/431388616.db2.gz QOYQINPHBWFBHF-UHFFFAOYSA-N 0 3 314.223 3.499 40 0 DGABHN C[C@H](O)CNCc1cccc(OCc2ccccc2Cl)c1 ZINC000008498042 431399108 /nfs/dbraw/zinc/39/91/08/431399108.db2.gz RTZBRVKLHWKFSR-ZDUSSCGKSA-N 0 3 305.805 3.389 40 0 DGABHN C[C@H]1CN([C@@H](CN)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000037424739 431847177 /nfs/dbraw/zinc/84/71/77/431847177.db2.gz XKHZFFVTORRINN-BHDSKKPTSA-N 0 3 303.233 3.102 40 0 DGABHN FC(F)(F)c1ccc2nc(N3CCNCC3)cc(Cl)c2c1 ZINC000090484438 431892783 /nfs/dbraw/zinc/89/27/83/431892783.db2.gz DXUNVBWEXDUVSF-UHFFFAOYSA-N 0 3 315.726 3.317 40 0 DGABHN Cc1ccsc1CN1CC[C@H]2O[C@H](c3nnc(C)o3)CC[C@H]21 ZINC000096040915 431934800 /nfs/dbraw/zinc/93/48/00/431934800.db2.gz NAOIZLFJJHBBIO-MCIONIFRSA-N 0 3 319.430 3.243 40 0 DGABHN Cc1cccc(CN2CC[C@]3(CCN(Cc4ccco4)C3)C2=O)c1 ZINC000096050559 431935736 /nfs/dbraw/zinc/93/57/36/431935736.db2.gz HBGXOYYQNHVLJF-FQEVSTJZSA-N 0 3 324.424 3.213 40 0 DGABHN Cc1ccc(CN2CCC3(CCN(CC(C)C)C3=O)CC2)o1 ZINC000096046767 431935902 /nfs/dbraw/zinc/93/59/02/431935902.db2.gz WZROBOUZEVFFBM-UHFFFAOYSA-N 0 3 304.434 3.059 40 0 DGABHN Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)o1 ZINC000096056616 431936520 /nfs/dbraw/zinc/93/65/20/431936520.db2.gz TWNRZEKHTSZFFF-QZTJIDSGSA-N 0 3 310.397 3.358 40 0 DGABHN c1ccc(-c2nnc([C@H]3CCN(Cc4ccccn4)C3)o2)cc1 ZINC000049169351 431936995 /nfs/dbraw/zinc/93/69/95/431936995.db2.gz OPGPUVICNWDFFI-HNNXBMFYSA-N 0 3 306.369 3.121 40 0 biogenic,in-vitro DGABHN CO[C@H]1CCN(Cc2c(C)noc2C)C[C@@H]1Cc1ccccc1 ZINC000096110473 431939049 /nfs/dbraw/zinc/93/90/49/431939049.db2.gz XXXCGENUPPUXQP-HKUYNNGSSA-N 0 3 314.429 3.371 40 0 DGABHN CCOC[C@@H]1CC2(CO1)CCN(Cc1ccccc1OC)CC2 ZINC000096105900 431939096 /nfs/dbraw/zinc/93/90/96/431939096.db2.gz WPWIBWSVYJLPKB-KRWDZBQOSA-N 0 3 319.445 3.103 40 0 DGABHN CO[C@@H]1CCN(Cc2c(C)noc2C)C[C@@H]1Cc1ccccc1 ZINC000096110152 431939155 /nfs/dbraw/zinc/93/91/55/431939155.db2.gz XXXCGENUPPUXQP-PKOBYXMFSA-N 0 3 314.429 3.371 40 0 DGABHN CO[C@@H]1COC2(C1)CCN(Cc1ccc3ccccc3n1)CC2 ZINC000096106541 431939200 /nfs/dbraw/zinc/93/92/00/431939200.db2.gz WCSFQGXSWXZUJB-KRWDZBQOSA-N 0 3 312.413 3.005 40 0 DGABHN c1cc(CN2CCC3(CO[C@H](COCC4CC4)C3)CC2)co1 ZINC000096105963 431939254 /nfs/dbraw/zinc/93/92/54/431939254.db2.gz OBYMXCUXOZEOHK-KRWDZBQOSA-N 0 3 305.418 3.077 40 0 DGABHN c1ccc(CN2CCC3(CC(Oc4cccnc4)C3)CC2)nc1 ZINC000096159348 431940715 /nfs/dbraw/zinc/94/07/15/431940715.db2.gz HQIFCIQMPJCELK-UHFFFAOYSA-N 0 3 309.413 3.300 40 0 DGABHN c1csc(CN2CC[C@@H]3O[C@@H](COCC4CC4)CC[C@@H]32)c1 ZINC000096186687 431941876 /nfs/dbraw/zinc/94/18/76/431941876.db2.gz UQOWGYIJVJDZDZ-PVAVHDDUSA-N 0 3 307.459 3.297 40 0 DGABHN c1coc(CN2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)c1 ZINC000096200543 431943002 /nfs/dbraw/zinc/94/30/02/431943002.db2.gz VZDANAUXTXQWEY-OALUTQOASA-N 0 3 312.413 3.287 40 0 DGABHN c1csc(CN2CCc3ncnc(-c4ccoc4)c3CC2)c1 ZINC000096255149 431943663 /nfs/dbraw/zinc/94/36/63/431943663.db2.gz MKPLJFNGVJBLIL-UHFFFAOYSA-N 0 3 311.410 3.399 40 0 DGABHN c1cc(CN2CCc3ncnc(-c4ccncc4)c3CC2)cs1 ZINC000096255228 431944140 /nfs/dbraw/zinc/94/41/40/431944140.db2.gz NXELUQNINKYGJI-UHFFFAOYSA-N 0 3 322.437 3.201 40 0 DGABHN CO[C@H]1CN(Cc2cccc3cccnc32)CC[C@@]12CCCO2 ZINC000257226851 432420745 /nfs/dbraw/zinc/42/07/45/432420745.db2.gz FMKZVEMCRMVDRF-HKUYNNGSSA-N 0 3 312.413 3.005 40 0 DGABHN Fc1ccccc1OCCCN1CCC[C@H](c2cnccn2)C1 ZINC000257234459 432421010 /nfs/dbraw/zinc/42/10/10/432421010.db2.gz GTPLKUUUOFSIAB-HNNXBMFYSA-N 0 3 315.392 3.264 40 0 DGABHN COc1cccc(CN2CCC[C@H](c3n[nH]cc3C)C2)c1F ZINC000257238100 432423064 /nfs/dbraw/zinc/42/30/64/432423064.db2.gz HJPDWEFNZYROFS-AWEZNQCLSA-N 0 3 303.381 3.245 40 0 DGABHN Cn1cnc(CN2CC[C@@H](Cc3ccnc4ccccc34)C2)c1 ZINC000257284862 432425096 /nfs/dbraw/zinc/42/50/96/432425096.db2.gz PEQKWAVKXRZRLM-HNNXBMFYSA-N 0 3 306.413 3.033 40 0 DGABHN Clc1cccc(Cl)c1N(C1=NCCN1)[C@H]1CCCCO1 ZINC000031297751 294112842 /nfs/dbraw/zinc/11/28/42/294112842.db2.gz NYQGJEQCYOJBPV-GFCCVEGCSA-N 0 3 314.216 3.286 40 0 in-man DGABHN O=C1CC[C@@]2(CCCN(Cc3cccc(F)c3)CC2)N1CCF ZINC000585100259 547025325 /nfs/dbraw/zinc/02/53/25/547025325.db2.gz JDDNHNMYXSBGJQ-GOSISDBHSA-N 0 3 322.399 3.142 40 0 DGABHN c1cc(OC2CCCCC2)ncc1-c1noc([C@@H]2CCCN2)n1 ZINC000035425543 1177369119 /nfs/dbraw/zinc/36/91/19/1177369119.db2.gz PMMNKDHGHHKLTK-AWEZNQCLSA-N 0 3 314.389 3.268 40 0 biogenic,in-vitro DGABHN CN1CCC[C@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 ZINC000306134467 530061511 /nfs/dbraw/zinc/06/15/11/530061511.db2.gz NOQSLUIAFGHJRK-HNNXBMFYSA-N 0 3 310.376 3.345 40 0 DGABHN c1cn(-c2cncc(C3CCN(Cc4ccccc4)CC3)n2)cn1 ZINC000072355454 191128435 /nfs/dbraw/zinc/12/84/35/191128435.db2.gz GRZRWGARIIMYMA-UHFFFAOYSA-N 0 3 319.412 3.042 40 0 DGABHN c1cnc(Nc2nccnc2[C@@H]2CCCN2C2CCCC2)cn1 ZINC000072363425 191131843 /nfs/dbraw/zinc/13/18/43/191131843.db2.gz HNWFBIMAMJSTNV-AWEZNQCLSA-N 0 3 310.405 3.090 40 0 DGABHN CC(C)[N@@H+]1CCC[C@@H](c2nccnc2[N-]c2nccs2)C1 ZINC000072364729 191133040 /nfs/dbraw/zinc/13/30/40/191133040.db2.gz GRRZYFMLRPBDII-GFCCVEGCSA-N 0 3 303.435 3.265 40 0 DGABHN CC(C)[N@H+]1CCC[C@@H](c2nccnc2[N-]c2nccs2)C1 ZINC000072364729 191133042 /nfs/dbraw/zinc/13/30/42/191133042.db2.gz GRRZYFMLRPBDII-GFCCVEGCSA-N 0 3 303.435 3.265 40 0 DGABHN c1cc2ccc(CN3CCOC[C@@H](Cc4ccccn4)C3)cc2[nH]1 ZINC000072388196 191146348 /nfs/dbraw/zinc/14/63/48/191146348.db2.gz FRMPDUMCUWWSSV-KRWDZBQOSA-N 0 3 321.424 3.254 40 0 DGABHN COc1ccc(Cl)cc1CNCCCSc1ncccn1 ZINC000004984183 181184376 /nfs/dbraw/zinc/18/43/76/181184376.db2.gz UZIRKGCZCJACDN-UHFFFAOYSA-N 0 3 323.849 3.411 40 0 DGABHN O=C1C[C@H](NC2CCCCC2)C(=O)N1c1ccc2ccccc2c1 ZINC000005179283 181213730 /nfs/dbraw/zinc/21/37/30/181213730.db2.gz VIROFOOHJVPMMH-SFHVURJKSA-N 0 3 322.408 3.394 40 0 DGABHN O=C(CCN1CCCCCC1)c1ccc2c(c1)OCCCO2 ZINC000005582832 181260368 /nfs/dbraw/zinc/26/03/68/181260368.db2.gz OEHPKAOXWXSAPK-UHFFFAOYSA-N 0 3 303.402 3.297 40 0 DGABHN CN(C)CCN(C)C(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC000005599685 181262420 /nfs/dbraw/zinc/26/24/20/181262420.db2.gz MQXDQFOZJJEPAG-GOSISDBHSA-N 0 3 302.462 3.371 40 0 DGABHN Cc1ccccc1CN1CC2(C1)CO[C@@H](Cc1cccnc1)C2 ZINC000257307017 203031273 /nfs/dbraw/zinc/03/12/73/203031273.db2.gz SWXCQBBGZIGRLD-IBGZPJMESA-N 0 3 308.425 3.224 40 0 DGABHN COC(=O)CC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015423836 182001612 /nfs/dbraw/zinc/00/16/12/182001612.db2.gz NLFLJHSNNYYKPI-UHFFFAOYSA-N 0 3 315.335 3.481 40 0 DGABHN CCC(=O)c1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000016739464 182059352 /nfs/dbraw/zinc/05/93/52/182059352.db2.gz WKLGIIULCGMLEB-YQQAZPJKSA-N 0 3 319.445 3.282 40 0 DGABHN Fc1ccccc1CN1CC[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000019348830 182118023 /nfs/dbraw/zinc/11/80/23/182118023.db2.gz VRZXYZGKJRQKQT-OAHLLOKOSA-N 0 3 324.359 3.260 40 0 DGABHN O=C(NC1CCN(CC2(c3ccccc3)CC2)CC1)c1ccco1 ZINC000019369722 182119689 /nfs/dbraw/zinc/11/96/89/182119689.db2.gz KEGVPHFFDZESJN-UHFFFAOYSA-N 0 3 324.424 3.206 40 0 DGABHN CN(C)CCN(Cc1ccncc1)Cc1ccccc1Cl ZINC000022913775 182340380 /nfs/dbraw/zinc/34/03/80/182340380.db2.gz TUGLOUVMCPSYFU-UHFFFAOYSA-N 0 3 303.837 3.299 40 0 DGABHN CCCCN1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216247 257124903 /nfs/dbraw/zinc/12/49/03/257124903.db2.gz NEMOWILWBKWSFX-KRWDZBQOSA-N 0 3 303.450 3.245 40 0 DGABHN c1coc(CN2CCC3(CCOC[C@H]3COCC3CC3)CC2)c1 ZINC000096106453 285562873 /nfs/dbraw/zinc/56/28/73/285562873.db2.gz KSTYHTLGGVRPLJ-KRWDZBQOSA-N 0 3 319.445 3.325 40 0 DGABHN CC(C)CCN1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccc(F)c1F ZINC000585108915 400125282 /nfs/dbraw/zinc/12/52/82/400125282.db2.gz DCOWCAYQUAIYAA-HOTGVXAUSA-N 0 3 322.399 3.186 40 0 DGABHN O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1NCc1cccc(F)c1 ZINC000585288704 400130069 /nfs/dbraw/zinc/13/00/69/400130069.db2.gz IEQXJJKZNLRWCF-IPMKNSEASA-N 0 3 315.388 3.276 40 0 DGABHN CCOc1ccc(CN2CCCC[C@@H]3[C@H]2CCN3C(C)=O)cc1 ZINC000019712581 400186921 /nfs/dbraw/zinc/18/69/21/400186921.db2.gz WZGBBSZBKNUCLV-RTBURBONSA-N 0 3 316.445 3.061 40 0 DGABHN Cc1nc(Cn2ccnc2[C@@H]2CN(C)Cc3ccccc32)cs1 ZINC000306143573 279086999 /nfs/dbraw/zinc/08/69/99/279086999.db2.gz YFRKEUYTBJHQEO-QGZVFWFLSA-N 0 3 324.453 3.274 40 0 DGABHN CCN1CC[C@]2(CCCN(Cc3ccccc3C)CC2)C1=O ZINC000108531376 431147599 /nfs/dbraw/zinc/14/75/99/431147599.db2.gz DFPHKOSVKDINQF-LJQANCHMSA-N 0 3 300.446 3.220 40 0 DGABHN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NC1CCN(C)CC1 ZINC000113971217 431368142 /nfs/dbraw/zinc/36/81/42/431368142.db2.gz HHPQUXITPHOIFD-INIZCTEOSA-N 0 3 324.852 3.016 40 0 DGABHN CCOc1cc(CNC[C@H](C)O)ccc1OCc1ccccc1 ZINC000008254649 431387794 /nfs/dbraw/zinc/38/77/94/431387794.db2.gz VXKIBGRSJQPSLO-HNNXBMFYSA-N 0 3 315.413 3.135 40 0 DGABHN COCCNCc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000008469170 431398723 /nfs/dbraw/zinc/39/87/23/431398723.db2.gz DOKPHHDZXYMBJB-UHFFFAOYSA-N 0 3 319.376 3.149 40 0 DGABHN CN1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000008733926 431408976 /nfs/dbraw/zinc/40/89/76/431408976.db2.gz LAEPSYAWIIWRQY-UHFFFAOYSA-N 0 3 302.205 3.163 40 0 DGABHN Cc1cc(C)c(N2C(=O)C[C@H](NC3CCCCC3)C2=O)c(C)c1 ZINC000017084923 280386256 /nfs/dbraw/zinc/38/62/56/280386256.db2.gz SYEKRIPBDXEWNZ-INIZCTEOSA-N 0 3 314.429 3.166 40 0 DGABHN CCOc1cc(I)ccc1CNC(C)C ZINC000036612304 431839279 /nfs/dbraw/zinc/83/92/79/431839279.db2.gz REHVYAQAEHDXQC-UHFFFAOYSA-N 0 3 319.186 3.188 40 0 DGABHN Cc1cccc(CN2CC[C@H]3OCCC[C@]3(COC(C)C)C2)n1 ZINC000096040504 431935288 /nfs/dbraw/zinc/93/52/88/431935288.db2.gz ZBZVUIRSKQEMEE-RTBURBONSA-N 0 3 318.461 3.186 40 0 DGABHN O=C1C[C@]2(CCN(Cc3ccco3)C2)CN1c1cccc(F)c1 ZINC000096050709 431935306 /nfs/dbraw/zinc/93/53/06/431935306.db2.gz HRLNSEFCTRTQDX-SFHVURJKSA-N 0 3 314.360 3.048 40 0 DGABHN Fc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4ccco4)C3)C2)c1 ZINC000096047573 431935509 /nfs/dbraw/zinc/93/55/09/431935509.db2.gz RUBPDDZDTSPLSD-FUHWJXTLSA-N 0 3 316.376 3.264 40 0 DGABHN O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1ccco1)C2 ZINC000096048735 431935763 /nfs/dbraw/zinc/93/57/63/431935763.db2.gz ZUSCJDVHLLVCDD-QGZVFWFLSA-N 0 3 316.426 3.360 40 0 DGABHN Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC2)s1 ZINC000096056546 431936088 /nfs/dbraw/zinc/93/60/88/431936088.db2.gz KDPISLXUTZEGLK-HZPDHXFCSA-N 0 3 304.459 3.032 40 0 DGABHN CN1C(=O)C[C@@H](c2ccccc2)C12CCN(Cc1ccco1)CC2 ZINC000096061429 431937172 /nfs/dbraw/zinc/93/71/72/431937172.db2.gz FRVHZOKTRBPGRV-SFHVURJKSA-N 0 3 324.424 3.260 40 0 DGABHN Cc1ccsc1CN1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC000096107715 431938885 /nfs/dbraw/zinc/93/88/85/431938885.db2.gz AFWKEIRLIQZGDZ-WBVHZDCISA-N 0 3 307.459 3.217 40 0 DGABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2ccccn2)s1 ZINC000096184717 431941535 /nfs/dbraw/zinc/94/15/35/431941535.db2.gz RBRMQJXSLKLEAV-ZWKOTPCHSA-N 0 3 313.470 3.300 40 0 DGABHN CO[C@@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241658 431942656 /nfs/dbraw/zinc/94/26/56/431942656.db2.gz VYRVGMIVYHDGCN-RHSMWYFYSA-N 0 3 305.393 3.039 40 0 DGABHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000098181652 431980468 /nfs/dbraw/zinc/98/04/68/431980468.db2.gz UXQRAMZRGNHVQQ-INIZCTEOSA-N 0 3 304.434 3.375 40 0 DGABHN CCOc1ccc2[nH]c(=O)c(CNCc3cccs3)cc2c1 ZINC000057584846 431991971 /nfs/dbraw/zinc/99/19/71/431991971.db2.gz UNGWGRKUZRLOQB-UHFFFAOYSA-N 0 3 314.410 3.278 40 0 DGABHN O[C@H]1CCCOC12CCN(Cc1ccc3ccccc3c1)CC2 ZINC000257204615 432418385 /nfs/dbraw/zinc/41/83/85/432418385.db2.gz AVNIIKOTKZLNMH-IBGZPJMESA-N 0 3 311.425 3.346 40 0 DGABHN Cc1ccnc([C@H]2CCN(CCCOc3ccccc3F)C2)n1 ZINC000257226057 432419670 /nfs/dbraw/zinc/41/96/70/432419670.db2.gz FIYGJPRVOWQJNA-HNNXBMFYSA-N 0 3 315.392 3.183 40 0 DGABHN CC(=O)NCc1ccc([C@H]2CCCN2Cc2ccccc2)nc1 ZINC000257243031 432423280 /nfs/dbraw/zinc/42/32/80/432423280.db2.gz IFFWCYVVIHHIMY-LJQANCHMSA-N 0 3 309.413 3.055 40 0 DGABHN Clc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1 ZINC000000275717 294110798 /nfs/dbraw/zinc/11/07/98/294110798.db2.gz UQUXFXRMNTUFQA-UHFFFAOYSA-N 0 3 324.815 3.360 40 0 DGABHN OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1OCc1ccccc1 ZINC001772491078 1197699181 /nfs/dbraw/zinc/69/91/81/1197699181.db2.gz DAEQJRXBQKIVSA-VQTJNVASSA-N 0 3 311.425 3.086 40 0 DGABHN CC(=O)NC1(c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000077042738 185075742 /nfs/dbraw/zinc/07/57/42/185075742.db2.gz JZIHXLNGPVLLDT-UHFFFAOYSA-N 0 3 308.425 3.314 40 0 DGABHN CN(C)Cc1ccnc([C@H]2CCCN2C2CCCCCC2)n1 ZINC000257309595 282149878 /nfs/dbraw/zinc/14/98/78/282149878.db2.gz UBNGBKFGVSBJFH-QGZVFWFLSA-N 0 3 302.466 3.398 40 0 DGABHN CC(=O)N1CCC2(C1)CCN(Cc1ccc(Cl)cc1)CC2 ZINC000063527794 432005713 /nfs/dbraw/zinc/00/57/13/432005713.db2.gz YVONZAGBVFEOHI-UHFFFAOYSA-N 0 3 306.837 3.174 40 0 DGABHN OC[C@H]1CCCN1Cc1cccc(OCc2ccccc2F)c1 ZINC000092471036 185320748 /nfs/dbraw/zinc/32/07/48/185320748.db2.gz YGJGXDBQZJCNSU-QGZVFWFLSA-N 0 3 315.388 3.361 40 0 DGABHN C[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000072203930 191076386 /nfs/dbraw/zinc/07/63/86/191076386.db2.gz XHVIHPAHSMZJAP-KBPBESRZSA-N 0 3 305.422 3.132 40 0 DGABHN CC(C)CNC1(Cc2cc(-c3ccc(F)cc3)on2)COC1 ZINC000072321917 191122083 /nfs/dbraw/zinc/12/20/83/191122083.db2.gz MAPWPKYOFIYMNQ-UHFFFAOYSA-N 0 3 304.365 3.038 40 0 biogenic,in-vitro DGABHN c1cn(-c2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)cn1 ZINC000072378619 191140546 /nfs/dbraw/zinc/14/05/46/191140546.db2.gz BTJLJLGTCRZOSQ-MRXNPFEDSA-N 0 3 319.412 3.042 40 0 DGABHN O=C(CNC1CCCCC1)Nc1ccc(N2CCCC2)cc1 ZINC000004896269 181169735 /nfs/dbraw/zinc/16/97/35/181169735.db2.gz XHRFZSIYRANMQW-UHFFFAOYSA-N 0 3 301.434 3.148 40 0 DGABHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCCCCC1 ZINC000039749055 283759775 /nfs/dbraw/zinc/75/97/75/283759775.db2.gz IYXSZZWZPHRMRQ-UHFFFAOYSA-N 0 3 300.446 3.301 40 0 DGABHN Cc1cnc(Nc2cc([C@@H]3CCN(C(C)C)C3)nc(C)n2)s1 ZINC000257300722 203025807 /nfs/dbraw/zinc/02/58/07/203025807.db2.gz RVLNYMOCTOWCPI-CYBMUJFWSA-N 0 3 317.462 3.491 40 0 DGABHN CCN1CCNC[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O ZINC000257303661 203028100 /nfs/dbraw/zinc/02/81/00/203028100.db2.gz SIDGWLKIYFGFRF-FQEVSTJZSA-N 0 3 322.452 3.272 40 0 DGABHN CCCCc1nc(CN2CCC[C@H](c3nc(C)c[nH]3)C2)c[nH]1 ZINC000257309367 203034821 /nfs/dbraw/zinc/03/48/21/203034821.db2.gz UAQYGNRWXQMOLS-AWEZNQCLSA-N 0 3 301.438 3.163 40 0 DGABHN CCCCc1ncc(CN2CCC[C@H](c3nc(C)c[nH]3)C2)[nH]1 ZINC000257309367 203034824 /nfs/dbraw/zinc/03/48/24/203034824.db2.gz UAQYGNRWXQMOLS-AWEZNQCLSA-N 0 3 301.438 3.163 40 0 DGABHN Cc1cccc(CN2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)n1 ZINC000257294267 203019907 /nfs/dbraw/zinc/01/99/07/203019907.db2.gz QTHMJGPLABMXIQ-OAHLLOKOSA-N 0 3 307.401 3.041 40 0 DGABHN c1cc([C@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)n[nH]1 ZINC000257311127 203037096 /nfs/dbraw/zinc/03/70/96/203037096.db2.gz UICKOZRPSOPWKJ-KRWDZBQOSA-N 0 3 319.412 3.246 40 0 DGABHN COc1cc(CN2CCC[C@@H](c3nc(C)cn3C)C2)ccc1F ZINC000257342114 203065856 /nfs/dbraw/zinc/06/58/56/203065856.db2.gz ZNDHMWHZNDKFOD-OAHLLOKOSA-N 0 3 317.408 3.256 40 0 DGABHN Cc1cc(C)cc(CN2CCC3(CN(CC(C)C)C3=O)CC2)c1 ZINC000096202818 193579440 /nfs/dbraw/zinc/57/94/40/193579440.db2.gz APDPBRFKYPFCDX-UHFFFAOYSA-N 0 3 314.473 3.384 40 0 DGABHN Cc1ccc(C)c(O[C@@H](C)C(=O)NCCN2CCCCCC2)c1 ZINC000013710900 181882716 /nfs/dbraw/zinc/88/27/16/181882716.db2.gz FQAXTQWXVFEILA-KRWDZBQOSA-N 0 3 318.461 3.063 40 0 DGABHN Cc1cc(=O)n2c3ccccc3nc2n1CCc1ccccc1 ZINC000017030939 182068726 /nfs/dbraw/zinc/06/87/26/182068726.db2.gz SHIMHNXPJCPBCM-UHFFFAOYSA-N 0 3 303.365 3.200 40 0 DGABHN OC1CCN(Cc2c3cccnc3[nH]c2-c2cccs2)CC1 ZINC000019345223 182117816 /nfs/dbraw/zinc/11/78/16/182117816.db2.gz YIARTMFFTQBJTM-UHFFFAOYSA-N 0 3 313.426 3.248 40 0 DGABHN CCc1cc(C(=O)Nc2ccccc2CN2CCCCC2)no1 ZINC000019522688 182127502 /nfs/dbraw/zinc/12/75/02/182127502.db2.gz KMSVIIAFFYCWFL-UHFFFAOYSA-N 0 3 313.401 3.475 40 0 DGABHN COc1ccc(CN(C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019586423 182131989 /nfs/dbraw/zinc/13/19/89/182131989.db2.gz LLUBGAYQDSYOEP-RBUKOAKNSA-N 0 3 315.388 3.449 40 0 DGABHN CCn1cncc1CN1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019578636 182131112 /nfs/dbraw/zinc/13/11/12/182131112.db2.gz FRCNQJFRPFEIFG-OAHLLOKOSA-N 0 3 309.417 3.159 40 0 DGABHN Fc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019842466 182155526 /nfs/dbraw/zinc/15/55/26/182155526.db2.gz SRFLUJDNZXIEFF-FGTMMUONSA-N 0 3 300.421 3.156 40 0 DGABHN COCCN1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358493 285031263 /nfs/dbraw/zinc/03/12/63/285031263.db2.gz XMQIUSLGMAQLHN-HNNXBMFYSA-N 0 3 315.392 3.109 40 0 DGABHN CCCN1CCCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219359 257124450 /nfs/dbraw/zinc/12/44/50/257124450.db2.gz LQRABXXODMBFIZ-KRWDZBQOSA-N 0 3 303.450 3.164 40 0 DGABHN Cc1cccc(CO[C@H]2CSC3(CN(CC4CCC4)C3)C2)n1 ZINC000585105349 400125680 /nfs/dbraw/zinc/12/56/80/400125680.db2.gz UTSRXMIHHBQAIJ-QGZVFWFLSA-N 0 3 318.486 3.267 40 0 DGABHN Cc1cccc(O[C@@H]2CCC[C@H](NCc3ccccc3)[C@H]2O)c1 ZINC000585288842 400130308 /nfs/dbraw/zinc/13/03/08/400130308.db2.gz KDUMLWVKUXAUIO-XUVXKRRUSA-N 0 3 311.425 3.446 40 0 DGABHN COc1ccc(C(=O)[C@@H]2SC(=N)N[C@@H]2c2ccccc2)cc1 ZINC000003019695 286290891 /nfs/dbraw/zinc/29/08/91/286290891.db2.gz ZCHDLPRNEZDIPX-GDBMZVCRSA-N 0 3 312.394 3.049 40 0 DGABHN CC(=O)O[C@@H](c1ccnc2ccccc21)[C@H]1CC2CCN1CC2 ZINC000001680258 431235083 /nfs/dbraw/zinc/23/50/83/431235083.db2.gz AQPAKLCDHXUDCB-MOPGFXCFSA-N 0 3 310.397 3.323 40 0 DGABHN CCO[C@@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241672 279764648 /nfs/dbraw/zinc/76/46/48/279764648.db2.gz ZRJQGKGCUGUYHW-CRAIPNDOSA-N 0 3 319.420 3.430 40 0 DGABHN Cc1ccc(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)o1 ZINC000013227686 431551172 /nfs/dbraw/zinc/55/11/72/431551172.db2.gz GCVZIWCVSFDOJO-WDYCEAGBSA-N 0 3 312.413 3.021 40 0 DGABHN CC(C)(C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038832338 431855884 /nfs/dbraw/zinc/85/58/84/431855884.db2.gz FMMQXCVWFQZAGL-AWEZNQCLSA-N 0 3 308.853 3.467 40 0 DGABHN CC(C)c1ccc(CCC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000036614029 431839591 /nfs/dbraw/zinc/83/95/91/431839591.db2.gz VQTMZYPGFBMIJF-SFHVURJKSA-N 0 3 300.446 3.049 40 0 DGABHN COc1ccc([C@H](N)c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000095533670 431926569 /nfs/dbraw/zinc/92/65/69/431926569.db2.gz LTNRKKNWRQTNOG-AWEZNQCLSA-N 0 3 314.776 3.182 40 0 DGABHN O=C1CCOC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2Cc1ccccc1 ZINC000095951721 431927795 /nfs/dbraw/zinc/92/77/95/431927795.db2.gz ZYNSKBKVJJHUEL-ZJOUEHCJSA-N 0 3 321.420 3.260 40 0 DGABHN Cc1ccc(CN2CCC3(CC2)COCCN3CC2CC2)s1 ZINC000096048916 431935124 /nfs/dbraw/zinc/93/51/24/431935124.db2.gz OQEIMYQONLQSDX-UHFFFAOYSA-N 0 3 320.502 3.133 40 0 DGABHN c1ccc(COC[C@@]23CCC[C@@H]2CN(Cc2ccncc2)C3)nc1 ZINC000096111046 431938864 /nfs/dbraw/zinc/93/88/64/431938864.db2.gz FXGIZQVKPNJGSJ-QUCCMNQESA-N 0 3 323.440 3.296 40 0 DGABHN c1cc(CN2CCC3(C[C@@H](OCC4CC4)CO3)CC2)cs1 ZINC000096106609 431939229 /nfs/dbraw/zinc/93/92/29/431939229.db2.gz WQGBUADLDUSHJP-MRXNPFEDSA-N 0 3 307.459 3.298 40 0 DGABHN Cc1ccsc1CN1CC[C@@H](OCC2CC2)[C@H]2OCC[C@@H]21 ZINC000096220604 431943223 /nfs/dbraw/zinc/94/32/23/431943223.db2.gz AVMDFRGZWOLOFR-UXLLHSPISA-N 0 3 307.459 3.215 40 0 DGABHN Fc1ccccc1OCCCN1CCC[C@@H](c2cnccn2)C1 ZINC000257234460 432420048 /nfs/dbraw/zinc/42/00/48/432420048.db2.gz GTPLKUUUOFSIAB-OAHLLOKOSA-N 0 3 315.392 3.264 40 0 DGABHN COc1ccc(CN2CCC[C@H](c3nc(C)cn3C)C2)c(F)c1 ZINC000257240614 432422330 /nfs/dbraw/zinc/42/23/30/432422330.db2.gz HUIHIKTYEBGZAW-HNNXBMFYSA-N 0 3 317.408 3.256 40 0 DGABHN c1ncc(CN2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)s1 ZINC000257242160 432423229 /nfs/dbraw/zinc/42/32/29/432423229.db2.gz IBJBEIUHCICXID-FOLVSLTJSA-N 0 3 300.427 3.433 40 0 DGABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CC2)CC1 ZINC000257270185 432425689 /nfs/dbraw/zinc/42/56/89/432425689.db2.gz MTCCMEDODPNOBJ-MPGHIAIKSA-N 0 3 315.461 3.017 40 0 DGABHN COCC[C@@H]1Cn2cccc2CN(Cc2ccc(OC)cc2)C1 ZINC000585094669 547025395 /nfs/dbraw/zinc/02/53/95/547025395.db2.gz YBTWMQLZAQNABW-KRWDZBQOSA-N 0 3 314.429 3.165 40 0 DGABHN CCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](N)C(C)C ZINC000079420361 185170725 /nfs/dbraw/zinc/17/07/25/185170725.db2.gz XIGSGXJYDQOHTP-ZDUSSCGKSA-N 0 3 303.233 3.325 40 0 DGABHN CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225618266 186284122 /nfs/dbraw/zinc/28/41/22/186284122.db2.gz JECRNGWWJCZHAT-SFHVURJKSA-N 0 3 322.449 3.161 40 0 DGABHN CN(C)C(=O)c1cccc([C@H]2CCCN2C2CCCCC2)n1 ZINC000072355751 191130730 /nfs/dbraw/zinc/13/07/30/191130730.db2.gz MWVFLPAISRXEKF-QGZVFWFLSA-N 0 3 301.434 3.253 40 0 DGABHN Cn1cc(CN2CC[C@H](Cc3cnc4ccccc4c3)C2)cn1 ZINC000072368000 191137016 /nfs/dbraw/zinc/13/70/16/191137016.db2.gz KIEFWYOWKACWRZ-OAHLLOKOSA-N 0 3 306.413 3.033 40 0 DGABHN Cc1ccccc1-c1noc([C@H]2CCN(Cc3ccncc3)C2)n1 ZINC000072369936 191139330 /nfs/dbraw/zinc/13/93/30/191139330.db2.gz FMXKRAWFBGNUCN-INIZCTEOSA-N 0 3 320.396 3.430 40 0 DGABHN c1csc(CNCc2cc(-c3ccccc3)cn3nnnc23)c1 ZINC000072392291 191147585 /nfs/dbraw/zinc/14/75/85/191147585.db2.gz GLFAKFZKTYJDGD-UHFFFAOYSA-N 0 3 321.409 3.143 40 0 DGABHN Fc1ccc([C@@H]2CN(Cc3ccccn3)C[C@H]2c2cc[nH]n2)cc1 ZINC000072395568 191149604 /nfs/dbraw/zinc/14/96/04/191149604.db2.gz TZWOJCNTBJFICE-ZWKOTPCHSA-N 0 3 322.387 3.327 40 0 DGABHN Fc1ccc(CN2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)cc1 ZINC000107731384 432038678 /nfs/dbraw/zinc/03/86/78/432038678.db2.gz XFUMQKSJHUFULB-QZTJIDSGSA-N 0 3 315.392 3.018 40 0 DGABHN Cc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1C ZINC000006503771 181346459 /nfs/dbraw/zinc/34/64/59/181346459.db2.gz BJICGNVCCYBCAT-LJQANCHMSA-N 0 3 311.425 3.101 40 0 DGABHN CCn1nccc1-c1cc(C)nc([C@H]2CCCN(C(C)C)C2)n1 ZINC000257278501 203005945 /nfs/dbraw/zinc/00/59/45/203005945.db2.gz OCMNUCYQEIVRFK-HNNXBMFYSA-N 0 3 313.449 3.256 40 0 DGABHN O[C@H]1CCN(Cc2ccsc2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257275581 203003405 /nfs/dbraw/zinc/00/34/05/203003405.db2.gz NPYSZPSWNXAXKF-IRXDYDNUSA-N 0 3 321.417 3.292 40 0 DGABHN Cc1c[nH]c([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)n1 ZINC000257319789 203042253 /nfs/dbraw/zinc/04/22/53/203042253.db2.gz VUAQQADBRUPQAI-CQSZACIVSA-N 0 3 303.381 3.116 40 0 DGABHN CCCCn1cc(CN2CC[C@@H](c3nc(C)c[nH]3)C2)c(C)n1 ZINC000257319569 203042551 /nfs/dbraw/zinc/04/25/51/203042551.db2.gz VTBLYJZVZMNPQI-OAHLLOKOSA-N 0 3 301.438 3.013 40 0 DGABHN Cc1cc2nccc(C3CCN(Cc4cnccc4C)CC3)n2n1 ZINC000257321807 203044353 /nfs/dbraw/zinc/04/43/53/203044353.db2.gz WDICZADORKPWKU-UHFFFAOYSA-N 0 3 321.428 3.121 40 0 DGABHN Cc1csc([C@H](Cc2cccs2)NC[C@@H]2CCOC2)n1 ZINC000019240063 182112095 /nfs/dbraw/zinc/11/20/95/182112095.db2.gz AYVYFHARSMCODH-JSGCOSHPSA-N 0 3 308.472 3.423 40 0 DGABHN O=C1N[C@]2(CCN(Cc3ccccc3)C2)CCc2ccccc21 ZINC000019371890 182120333 /nfs/dbraw/zinc/12/03/33/182120333.db2.gz HXKIYFMECACYHW-FQEVSTJZSA-N 0 3 306.409 3.007 40 0 DGABHN Clc1ccc(OCC2CCN(Cc3cnc[nH]3)CC2)cc1 ZINC000019656959 182134686 /nfs/dbraw/zinc/13/46/86/182134686.db2.gz JBEONJOLKYMGOO-UHFFFAOYSA-N 0 3 305.809 3.354 40 0 DGABHN C[C@H]1CCCN([C@@H](CN)c2ccccc2OC(F)(F)F)C1 ZINC000021008945 182259354 /nfs/dbraw/zinc/25/93/54/182259354.db2.gz FALFGAHFGMNHNS-AAEUAGOBSA-N 0 3 302.340 3.317 40 0 DGABHN CCOc1cc(CNC[C@@H](C)O)ccc1OCc1cccs1 ZINC000008254745 256522979 /nfs/dbraw/zinc/52/29/79/256522979.db2.gz UDNLOXJGNCHVNV-CYBMUJFWSA-N 0 3 321.442 3.196 40 0 DGABHN Cc1cc([C@@H](N)c2ccccc2)cnc1I ZINC000072225966 257123347 /nfs/dbraw/zinc/12/33/47/257123347.db2.gz DSRMYCSDIKWRLD-LBPRGKRZSA-N 0 3 324.165 3.043 40 0 DGABHN C[C@@H]1CN([C@H](CN)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000020549077 257130245 /nfs/dbraw/zinc/13/02/45/257130245.db2.gz XFLUILIYAOXTNV-GPCCPHFNSA-N 0 3 303.233 3.102 40 0 DGABHN Cc1cccc(CO[C@@H]2CSC3(CN(C4CCCC4)C3)C2)n1 ZINC000585105056 400125829 /nfs/dbraw/zinc/12/58/29/400125829.db2.gz OKWNMDJFWWGDBS-KRWDZBQOSA-N 0 3 318.486 3.409 40 0 DGABHN CC(C)c1ccc(CCC(=O)NCCN2CCCCC2)cc1 ZINC000010364274 400133447 /nfs/dbraw/zinc/13/34/47/400133447.db2.gz WLYHWFYFJFWZOV-UHFFFAOYSA-N 0 3 302.462 3.345 40 0 DGABHN C[C@H]1CN([C@@H](CN)c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000036108196 400389514 /nfs/dbraw/zinc/38/95/14/400389514.db2.gz VWNPDOBODKGLFJ-KWBADKCTSA-N 0 3 303.233 3.102 40 0 DGABHN Cc1ccc2c(c1)CN(Cc1ccsc1)[C@@H](CN(C)C)CO2 ZINC000072395304 292326261 /nfs/dbraw/zinc/32/62/61/292326261.db2.gz YGDOXZIXIRFOGW-KRWDZBQOSA-N 0 3 316.470 3.381 40 0 DGABHN c1cncc(CO[C@@H]2CSC3(CN(C4CCCC4)C3)C2)c1 ZINC000247918855 432255062 /nfs/dbraw/zinc/25/50/62/432255062.db2.gz ZZPGZJVJQKMHKG-INIZCTEOSA-N 0 3 304.459 3.101 40 0 DGABHN C[C@@H]1CN([C@@H](CN)c2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000021809529 277911293 /nfs/dbraw/zinc/91/12/93/277911293.db2.gz SUZPBBSUTBAACQ-RULNRJAQSA-N 0 3 303.233 3.102 40 0 DGABHN C[C@H](CCN1CCOCC1)Nc1ccnc2cc(Cl)ccc21 ZINC000001873629 431243003 /nfs/dbraw/zinc/24/30/03/431243003.db2.gz AVOCPUOPDRSMCW-CYBMUJFWSA-N 0 3 319.836 3.411 40 0 DGABHN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000072055233 431329510 /nfs/dbraw/zinc/32/95/10/431329510.db2.gz DGHQYUQGNVQNJZ-CQSZACIVSA-N 0 3 306.425 3.198 40 0 DGABHN CN(C)CCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000010111498 431453732 /nfs/dbraw/zinc/45/37/32/431453732.db2.gz UKVDXGXKKYNMQD-UHFFFAOYSA-N 0 3 314.454 3.270 40 0 DGABHN Fc1ccc(CN2CCC(n3cnc4cccnc43)CC2)cc1 ZINC000013266789 431552272 /nfs/dbraw/zinc/55/22/72/431552272.db2.gz WKVZNRNHWXGDJQ-UHFFFAOYSA-N 0 3 310.376 3.408 40 0 DGABHN C[C@H](Oc1ccccc1Cl)C(=O)NCCN1CCCCCC1 ZINC000013710082 431567850 /nfs/dbraw/zinc/56/78/50/431567850.db2.gz DGOLYTCAMAIGKR-AWEZNQCLSA-N 0 3 324.852 3.100 40 0 DGABHN FC(F)(F)c1ccc(O[C@H]2COCCN(CC3CC3)C2)cc1 ZINC000077265618 431577383 /nfs/dbraw/zinc/57/73/83/431577383.db2.gz HALDFWAKKUNNAR-OAHLLOKOSA-N 0 3 315.335 3.195 40 0 biogenic,in-vitro DGABHN CN(C)CCN1C(=S)c2cccc3cccc(c32)C1=S ZINC000026897388 431680040 /nfs/dbraw/zinc/68/00/40/431680040.db2.gz WLIXDFNKSLPFTK-UHFFFAOYSA-N 0 3 300.452 3.068 40 0 DGABHN C[C@@H]1CN([C@@H](CN)c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000020009116 288246451 /nfs/dbraw/zinc/24/64/51/288246451.db2.gz VWNPDOBODKGLFJ-CWSCBRNRSA-N 0 3 303.233 3.102 40 0 DGABHN CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028221068 431702389 /nfs/dbraw/zinc/70/23/89/431702389.db2.gz JNOVUQUBOJDOAH-OAHLLOKOSA-N 0 3 308.853 3.468 40 0 DGABHN Cc1ccsc1CN1CC[C@H]2C[C@H](c3nc(C)no3)O[C@@H]2C1 ZINC000096042733 431934999 /nfs/dbraw/zinc/93/49/99/431934999.db2.gz VUTHFZLSSCSXHJ-BFHYXJOUSA-N 0 3 319.430 3.100 40 0 DGABHN c1coc(CN2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)c1 ZINC000096046939 431935054 /nfs/dbraw/zinc/93/50/54/431935054.db2.gz BFINUIBTGMQNDY-IBGZPJMESA-N 0 3 311.429 3.163 40 0 DGABHN c1coc(CN2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)c1 ZINC000096046940 431935273 /nfs/dbraw/zinc/93/52/73/431935273.db2.gz BFINUIBTGMQNDY-LJQANCHMSA-N 0 3 311.429 3.163 40 0 DGABHN Cc1ccc(CN2CC[C@H]3C[C@H](c4noc(C)n4)O[C@@H]3C2)s1 ZINC000096046183 431935793 /nfs/dbraw/zinc/93/57/93/431935793.db2.gz INKOXPGXYSATOI-NWANDNLSSA-N 0 3 319.430 3.100 40 0 DGABHN Cc1ccc(CN2CC[C@H](c3nnc(-c4ccncc4)o3)C2)o1 ZINC000049169593 431936713 /nfs/dbraw/zinc/93/67/13/431936713.db2.gz VJBVOCJAPZEILI-AWEZNQCLSA-N 0 3 310.357 3.023 40 0 biogenic,in-vitro DGABHN Fc1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC000096055837 431937373 /nfs/dbraw/zinc/93/73/73/431937373.db2.gz JBIHUZJBBNYOHO-MOPGFXCFSA-N 0 3 311.404 3.070 40 0 DGABHN O=C1N(CC2CC2)c2ccccc2[C@]12CCN(Cc1ccoc1)C2 ZINC000096100319 431937582 /nfs/dbraw/zinc/93/75/82/431937582.db2.gz JRQPZYCEMMICLQ-HXUWFJFHSA-N 0 3 322.408 3.180 40 0 DGABHN c1coc(CN2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000096109310 431938767 /nfs/dbraw/zinc/93/87/67/431938767.db2.gz ZEMDHKZBBSDAAW-MJGOQNOKSA-N 0 3 312.413 3.494 40 0 DGABHN c1cc(CN2CCC3(CCOC[C@H]3COCC3CC3)CC2)co1 ZINC000096106455 431939193 /nfs/dbraw/zinc/93/91/93/431939193.db2.gz VMWOBIDMBYXYEY-SFHVURJKSA-N 0 3 319.445 3.325 40 0 DGABHN c1cc(CN2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)co1 ZINC000096218346 431942430 /nfs/dbraw/zinc/94/24/30/431942430.db2.gz XSSUYHYVNIHYQJ-MOPGFXCFSA-N 0 3 312.413 3.494 40 0 DGABHN Cc1csc(C[C@H]2OC[C@H]3CN(Cc4ccoc4)CC[C@H]32)n1 ZINC000096209854 431942816 /nfs/dbraw/zinc/94/28/16/431942816.db2.gz GWTQTJNHKPQJQS-BZUAXINKSA-N 0 3 318.442 3.124 40 0 DGABHN Cc1ccc(CN2CCc3ncnc(-c4cccnc4)c3CC2)o1 ZINC000096255311 431943988 /nfs/dbraw/zinc/94/39/88/431943988.db2.gz GOPBGYSRRFBCBN-UHFFFAOYSA-N 0 3 320.396 3.041 40 0 DGABHN Fc1ccc(-c2n[nH]c3c2CCN(Cc2cccnc2)CC3)cc1 ZINC000096254388 431944176 /nfs/dbraw/zinc/94/41/76/431944176.db2.gz NZLZWEOXAXUARZ-UHFFFAOYSA-N 0 3 322.387 3.212 40 0 DGABHN Cc1cccnc1CN1C[C@@H]2[C@H](Oc3cccnc3C)CC[C@@H]2C1 ZINC000257203087 432417812 /nfs/dbraw/zinc/41/78/12/432417812.db2.gz AOQKBCFZMZYPQC-FUHIMQAGSA-N 0 3 323.440 3.383 40 0 DGABHN Cc1nc(Nc2cc(C)nc([C@H]3CCCN(C)C3)n2)sc1C ZINC000257236002 432419748 /nfs/dbraw/zinc/41/97/48/432419748.db2.gz HAKSHNVEUZPTND-ZDUSSCGKSA-N 0 3 317.462 3.411 40 0 DGABHN c1ccc(N2CCCC2)c(CN2CCC[C@H](c3ccncn3)C2)c1 ZINC000257223396 432419771 /nfs/dbraw/zinc/41/97/71/432419771.db2.gz DXDZXGYWABNHIO-KRWDZBQOSA-N 0 3 322.456 3.456 40 0 DGABHN c1ccc(N2CCCC2)c(CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257223397 432420929 /nfs/dbraw/zinc/42/09/29/432420929.db2.gz DXDZXGYWABNHIO-QGZVFWFLSA-N 0 3 322.456 3.456 40 0 DGABHN CCN1CC[C@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1 ZINC000257254531 432422736 /nfs/dbraw/zinc/42/27/36/432422736.db2.gz KDMUBDMYVDVKBH-LBPRGKRZSA-N 0 3 303.435 3.103 40 0 DGABHN Cc1c[nH]c([C@@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 ZINC000257266504 432425735 /nfs/dbraw/zinc/42/57/35/432425735.db2.gz MDGXYTRXXPOOIO-QGZVFWFLSA-N 0 3 309.413 3.374 40 0 DGABHN c1cc(C[C@H]2[C@@H](OCC3CC3)CCN2Cc2ccncc2)ccn1 ZINC000306131963 534468898 /nfs/dbraw/zinc/46/88/98/534468898.db2.gz KUCGCFVHMCLMSR-PMACEKPBSA-N 0 3 323.440 3.089 40 0 DGABHN C[C@H](c1ccccn1)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000072203778 191075640 /nfs/dbraw/zinc/07/56/40/191075640.db2.gz RJJBZKVBRLYUMB-HUUCEWRRSA-N 0 3 319.449 3.379 40 0 DGABHN Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3C(C)C)n2)n1 ZINC000072376223 191138921 /nfs/dbraw/zinc/13/89/21/191138921.db2.gz PXPTVGQDISUUTP-HNNXBMFYSA-N 0 3 312.421 3.172 40 0 DGABHN Cc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(C)C)C3)n2)n1 ZINC000072382381 191142103 /nfs/dbraw/zinc/14/21/03/191142103.db2.gz SFOQGSXWIXBJIT-OAHLLOKOSA-N 0 3 311.433 3.430 40 0 DGABHN c1ccc(CNCc2cc(-c3ccccc3)cn3nnnc23)cc1 ZINC000072392290 191147379 /nfs/dbraw/zinc/14/73/79/191147379.db2.gz VLJQZICWAAUCAA-UHFFFAOYSA-N 0 3 315.380 3.081 40 0 DGABHN c1cnc2[nH]c(C3CCOCC3)c(CN3CCSCC3)c2c1 ZINC000072394992 191149305 /nfs/dbraw/zinc/14/93/05/191149305.db2.gz YMEFTQYXQYVEHB-UHFFFAOYSA-N 0 3 317.458 3.006 40 0 DGABHN CCOCc1ccc2oc(C(=O)OCCN(CC)CC)cc2c1 ZINC000002478039 180926376 /nfs/dbraw/zinc/92/63/76/180926376.db2.gz WBTKBNQZRCBGPI-UHFFFAOYSA-N 0 3 319.401 3.468 40 0 DGABHN O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCCCC1 ZINC000005018035 181191144 /nfs/dbraw/zinc/19/11/44/181191144.db2.gz JQTXDVVWEIKREC-GFCCVEGCSA-N 0 3 304.217 3.219 40 0 DGABHN CCc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000006168820 181317291 /nfs/dbraw/zinc/31/72/91/181317291.db2.gz KQHXNKOGBMJFGW-IBGZPJMESA-N 0 3 311.425 3.047 40 0 DGABHN CC(=O)NCc1ccc([C@H]2CCCN2Cc2ccc(C)cc2)nc1 ZINC000257304973 203030678 /nfs/dbraw/zinc/03/06/78/203030678.db2.gz SNXQTOYHUZYJGL-HXUWFJFHSA-N 0 3 323.440 3.363 40 0 DGABHN CNc1cc(C)nc([C@H]2CCN(C(=O)Cc3cccs3)C2)c1 ZINC000257283350 203009386 /nfs/dbraw/zinc/00/93/86/203009386.db2.gz OXXIUYOYOCBRGR-ZDUSSCGKSA-N 0 3 315.442 3.052 40 0 DGABHN Cc1cccc(CN2CCC(c3cc4ncc(C)nc4[nH]3)CC2)n1 ZINC000019236178 182111236 /nfs/dbraw/zinc/11/12/36/182111236.db2.gz BUCNTQDTIFFRSD-UHFFFAOYSA-N 0 3 321.428 3.349 40 0 DGABHN CC(C)(C)c1noc([C@@H]2CCN(Cc3cccc(F)c3)C2)n1 ZINC000019084631 182104824 /nfs/dbraw/zinc/10/48/24/182104824.db2.gz KMYHPSBKUYDYFJ-CYBMUJFWSA-N 0 3 303.381 3.496 40 0 DGABHN c1csc(-c2noc([C@@H]3CCN(Cc4ccncc4)C3)n2)c1 ZINC000019344688 182117925 /nfs/dbraw/zinc/11/79/25/182117925.db2.gz TUHRXCRCCADABU-CYBMUJFWSA-N 0 3 312.398 3.183 40 0 DGABHN Fc1cccc(-c2nc3c(s2)CN(C2CCOCC2)CC3)c1 ZINC000019719883 182138357 /nfs/dbraw/zinc/13/83/57/182138357.db2.gz JHFMDSNDBRRBOW-UHFFFAOYSA-N 0 3 318.417 3.486 40 0 DGABHN CN(C)CCNCc1cccc(OCc2ccccc2F)c1 ZINC000022075566 182307925 /nfs/dbraw/zinc/30/79/25/182307925.db2.gz VECNKZWAFPWBQZ-UHFFFAOYSA-N 0 3 302.393 3.056 40 0 DGABHN CC(C)CNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038832390 183011270 /nfs/dbraw/zinc/01/12/70/183011270.db2.gz KTYVTJHAIHZVQH-HNNXBMFYSA-N 0 3 308.853 3.324 40 0 DGABHN COCC[C@H]1CCOC12CCN(Cc1ccc(F)cc1)CC2 ZINC000585102608 400126143 /nfs/dbraw/zinc/12/61/43/400126143.db2.gz CAEJJRKMYFHADR-INIZCTEOSA-N 0 3 307.409 3.233 40 0 DGABHN Cc1ccc2cc(CNC[C@@H](O)c3ccccc3)c(=O)[nH]c2c1 ZINC000585295202 400131852 /nfs/dbraw/zinc/13/18/52/400131852.db2.gz PRCKNMSMXRWIAL-GOSISDBHSA-N 0 3 308.381 3.072 40 0 DGABHN CC(=O)N1CCCCC[C@@H]2N(Cc3cnc(C)s3)CC[C@@]21C ZINC000019713371 400186166 /nfs/dbraw/zinc/18/61/66/400186166.db2.gz GETXKGOPXNGMRR-IRXDYDNUSA-N 0 3 321.490 3.207 40 0 DGABHN CC[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028221065 400287466 /nfs/dbraw/zinc/28/74/66/400287466.db2.gz OHEIXLBMIIKYCY-ZFWWWQNUSA-N 0 3 308.853 3.467 40 0 DGABHN c1cncc(CN2CC[C@@H](OCC3CC3)[C@H]2Cc2ccncc2)c1 ZINC000247807002 432251094 /nfs/dbraw/zinc/25/10/94/432251094.db2.gz AIKMYJPRYXMOTA-WOJBJXKFSA-N 0 3 323.440 3.089 40 0 DGABHN CCO[C@H]1CC2(CCN([C@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241675 276358715 /nfs/dbraw/zinc/35/87/15/276358715.db2.gz ZRJQGKGCUGUYHW-YJBOKZPZSA-N 0 3 319.420 3.430 40 0 DGABHN C[C@H](NC[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000035313698 278261846 /nfs/dbraw/zinc/26/18/46/278261846.db2.gz FGYNLHYPJDPKLK-RDJZCZTQSA-N 0 3 324.424 3.449 40 0 DGABHN CC(C)(C)OC(=O)Nc1ccc(CN)c(OC(F)(F)F)c1 ZINC000071245009 431277029 /nfs/dbraw/zinc/27/70/29/431277029.db2.gz JERMHLUIDIQVJR-UHFFFAOYSA-N 0 3 306.284 3.391 40 0 DGABHN O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(Cc2ccccc2)CC1 ZINC000009062539 431422470 /nfs/dbraw/zinc/42/24/70/431422470.db2.gz ACHAGXCFPCJKQR-UHOSZYNNSA-N 0 3 312.457 3.203 40 0 DGABHN C[C@H](O)CNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000008498065 431400182 /nfs/dbraw/zinc/40/01/82/431400182.db2.gz YFUPVFZRJSUVJV-ZDUSSCGKSA-N 0 3 305.805 3.389 40 0 DGABHN COc1cc2c(cc1OC)[C@H]1C[C@@H](O)[C@H](CC(C)C)CN1CC2 ZINC000034325316 431820487 /nfs/dbraw/zinc/82/04/87/431820487.db2.gz WEQLWGNDNRARGE-DJIMGWMZSA-N 0 3 319.445 3.030 40 0 DGABHN CN1CCC(NC(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000047615542 431913099 /nfs/dbraw/zinc/91/30/99/431913099.db2.gz NVGRHHQLPLXUFD-UHFFFAOYSA-N 0 3 315.244 3.136 40 0 DGABHN Cn1cc([C@H]2COC3(C2)CCN(Cc2ccsc2)CC3)cn1 ZINC000096047790 431935823 /nfs/dbraw/zinc/93/58/23/431935823.db2.gz NASVUBBNQQPRPN-OAHLLOKOSA-N 0 3 317.458 3.020 40 0 DGABHN CCOC[C@H]1COCCC12CCN(Cc1ccccc1F)CC2 ZINC000096106417 431938986 /nfs/dbraw/zinc/93/89/86/431938986.db2.gz JNUSNTMFSDEBCM-KRWDZBQOSA-N 0 3 321.436 3.481 40 0 DGABHN c1cc(CN2CCC3(CO[C@@H](COCC4CC4)C3)CC2)co1 ZINC000096105962 431938998 /nfs/dbraw/zinc/93/89/98/431938998.db2.gz OBYMXCUXOZEOHK-QGZVFWFLSA-N 0 3 305.418 3.077 40 0 DGABHN c1[nH]c2ccccc2c1CN1CCOC[C@H](Oc2ccccc2)C1 ZINC000096113202 431939003 /nfs/dbraw/zinc/93/90/03/431939003.db2.gz SRNPGELWCDDWAH-GOSISDBHSA-N 0 3 322.408 3.448 40 0 biogenic,in-vitro DGABHN CN1Cc2ccccc2CC2(CCN(Cc3ccoc3)CC2)C1=O ZINC000096161295 431940404 /nfs/dbraw/zinc/94/04/04/431940404.db2.gz DUFXEXSSKJLCNU-UHFFFAOYSA-N 0 3 324.424 3.077 40 0 DGABHN CN(Cc1cccnc1)C1CC2(C1)CCN(c1ccccn1)CC2 ZINC000096159246 431940732 /nfs/dbraw/zinc/94/07/32/431940732.db2.gz AQVJHKGGDICCHD-UHFFFAOYSA-N 0 3 322.456 3.358 40 0 DGABHN c1cc(CN2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)co1 ZINC000096200544 431942575 /nfs/dbraw/zinc/94/25/75/431942575.db2.gz MPFDUJNMEFCKNM-OALUTQOASA-N 0 3 312.413 3.287 40 0 DGABHN CO[C@H]1CCN(Cc2c(C)noc2C)[C@H]1Cc1ccccc1 ZINC000096200379 431942928 /nfs/dbraw/zinc/94/29/28/431942928.db2.gz HHVKDQIUHULYPR-ROUUACIJSA-N 0 3 300.402 3.123 40 0 DGABHN Cc1ccc(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000153837316 432448482 /nfs/dbraw/zinc/44/84/82/432448482.db2.gz SPFCJUDIGXHEJN-MRXNPFEDSA-N 0 3 302.462 3.368 40 0 DGABHN CC(C)Oc1ccc([C@@H]2CNCCN2Cc2cccnc2)cc1 ZINC000257207691 432417582 /nfs/dbraw/zinc/41/75/82/432417582.db2.gz BIUCJHBDUOOYPC-IBGZPJMESA-N 0 3 311.429 3.015 40 0 DGABHN CCN1CC[C@@H](c2cc(Nc3nc(C)c(C)s3)nc(C)n2)C1 ZINC000257225308 432420149 /nfs/dbraw/zinc/42/01/49/432420149.db2.gz FFRQRMCAKKUGRK-CYBMUJFWSA-N 0 3 317.462 3.411 40 0 DGABHN CC(C)N1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2 ZINC000257238075 432422991 /nfs/dbraw/zinc/42/29/91/432422991.db2.gz HJLYQWMIKQHOQO-FUHWJXTLSA-N 0 3 322.399 3.201 40 0 DGABHN Cc1nc([C@H]2CCCN2)nc2c1CCCN2CCc1ccccc1 ZINC000257268264 432424157 /nfs/dbraw/zinc/42/41/57/432424157.db2.gz MKXVKIVCALQTHC-GOSISDBHSA-N 0 3 322.456 3.205 40 0 DGABHN O=C1CCC[C@]2(CN(C3CCCC3)C[C@H]2c2ccccc2F)N1 ZINC000257261510 432425201 /nfs/dbraw/zinc/42/52/01/432425201.db2.gz LHRDGAKEBRWKGY-QFBILLFUSA-N 0 3 316.420 3.206 40 0 DGABHN Cc1c[nH]c([C@@H]2CCN(Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257268302 432425566 /nfs/dbraw/zinc/42/55/66/432425566.db2.gz MLBGQCPNPWDLFH-GFCCVEGCSA-N 0 3 313.430 3.159 40 0 DGABHN CNc1cc([C@H]2CCCN(Cc3scnc3C)C2)ccn1 ZINC000257335036 432425672 /nfs/dbraw/zinc/42/56/72/432425672.db2.gz YIKYHRCMSUDHNF-AWEZNQCLSA-N 0 3 302.447 3.268 40 0 DGABHN CC(C)[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000225229323 432688266 /nfs/dbraw/zinc/68/82/66/432688266.db2.gz NZXPBGFQXNBDBW-GOEBONIOSA-N 0 3 306.425 3.198 40 0 DGABHN CC(C)[C@H](N)C(=O)N(Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000079421076 185170798 /nfs/dbraw/zinc/17/07/98/185170798.db2.gz MCLBUCDXGZKWSA-AWEZNQCLSA-N 0 3 314.351 3.180 40 0 DGABHN CCN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H](N)C(C)C ZINC000079420373 185170848 /nfs/dbraw/zinc/17/08/48/185170848.db2.gz YKSYJOCYJPLYLC-ZDUSSCGKSA-N 0 3 303.233 3.325 40 0 DGABHN CC(C)[C@H](N)C(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000079421054 185170971 /nfs/dbraw/zinc/17/09/71/185170971.db2.gz JRVXOENJMBSXGL-AWEZNQCLSA-N 0 3 316.367 3.426 40 0 DGABHN CCN1c2ccccc2C2(CCN(Cc3ccco3)CC2)C1=O ZINC000103462683 432010076 /nfs/dbraw/zinc/01/00/76/432010076.db2.gz RPSOSYAKTLBSGY-UHFFFAOYSA-N 0 3 310.397 3.180 40 0 DGABHN COCCN1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358498 191130800 /nfs/dbraw/zinc/13/08/00/191130800.db2.gz XCHQKRHWJZKLBQ-OAHLLOKOSA-N 0 3 315.392 3.109 40 0 DGABHN O=C(c1cccc(Cl)c1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004723263 181142516 /nfs/dbraw/zinc/14/25/16/181142516.db2.gz CSQIPDRJAUDPME-JJRVBVJISA-N 0 3 318.848 3.286 40 0 DGABHN Cc1nc(-c2cc(C)nc(CC3CCN(C)CC3)n2)sc1C ZINC000257326615 203051357 /nfs/dbraw/zinc/05/13/57/203051357.db2.gz WXWXITHQPLJKLI-UHFFFAOYSA-N 0 3 316.474 3.410 40 0 DGABHN O[C@H]1CN(Cc2cc3ccccc3s2)CC[C@@]12CCCO2 ZINC000257330493 203053991 /nfs/dbraw/zinc/05/39/91/203053991.db2.gz XORFOYOJEBSGKE-IRXDYDNUSA-N 0 3 303.427 3.017 40 0 DGABHN Cc1ccc(CN2CCC3(CC2)C(=O)N(C)[C@H]3c2ccccc2)o1 ZINC000096100242 193536436 /nfs/dbraw/zinc/53/64/36/193536436.db2.gz QRVOZRGYSFUXSM-SFHVURJKSA-N 0 3 324.424 3.384 40 0 DGABHN CO[C@@H]1CCN(Cc2c(C)noc2C)[C@H]1Cc1ccccc1 ZINC000096200056 193575868 /nfs/dbraw/zinc/57/58/68/193575868.db2.gz HHVKDQIUHULYPR-ZWKOTPCHSA-N 0 3 300.402 3.123 40 0 DGABHN CCCCn1nc(C)c2c1nc(C)cc2C(=O)NCC(C)C ZINC000017030851 182068821 /nfs/dbraw/zinc/06/88/21/182068821.db2.gz MKZWEGCMPIGRNE-UHFFFAOYSA-N 0 3 302.422 3.234 40 0 DGABHN COc1cccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019565326 182130404 /nfs/dbraw/zinc/13/04/04/182130404.db2.gz LSCJARFBTCSRKH-NZSAHSFTSA-N 0 3 312.457 3.025 40 0 DGABHN CN(C)CCN(Cc1ccncc1)Cc1c(F)cccc1Cl ZINC000019582691 182132473 /nfs/dbraw/zinc/13/24/73/182132473.db2.gz BXZPPPWZUAXVMM-UHFFFAOYSA-N 0 3 321.827 3.438 40 0 DGABHN CC(C)CN1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216245 257125147 /nfs/dbraw/zinc/12/51/47/257125147.db2.gz PVTQZNJHLHMHTN-KRWDZBQOSA-N 0 3 303.450 3.101 40 0 DGABHN COc1ccc(CN2CCCCC[C@@H]3[C@@H]2CCN3C(C)=O)cc1 ZINC000019712375 400186146 /nfs/dbraw/zinc/18/61/46/400186146.db2.gz RJTDKJFVVUDSLP-RBUKOAKNSA-N 0 3 316.445 3.061 40 0 DGABHN C[C@@H](NC[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000035313701 274250298 /nfs/dbraw/zinc/25/02/98/274250298.db2.gz FGYNLHYPJDPKLK-NVXWUHKLSA-N 0 3 324.424 3.449 40 0 DGABHN CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3)NCCC[C@@H]12 ZINC000228975099 278409778 /nfs/dbraw/zinc/40/97/78/278409778.db2.gz XRRQIGUDVJTTIW-QAPCUYQASA-N 0 3 302.418 3.275 40 0 DGABHN C/C(=C/c1ccccc1)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000000234604 431150738 /nfs/dbraw/zinc/15/07/38/431150738.db2.gz FTNSPZRWTDMPET-VWXXHXAUSA-N 0 3 320.436 3.371 40 0 DGABHN O=C(C[C@H](c1ccccc1)N1CCCCC1)OC[C@@H]1CCCO1 ZINC000001569394 431230525 /nfs/dbraw/zinc/23/05/25/431230525.db2.gz JPWQZUQDQORRCQ-ZWKOTPCHSA-N 0 3 317.429 3.326 40 0 DGABHN COCCN1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358494 431337403 /nfs/dbraw/zinc/33/74/03/431337403.db2.gz XMQIUSLGMAQLHN-OAHLLOKOSA-N 0 3 315.392 3.109 40 0 DGABHN Cc1nn2c(nc(C)c(C)c2NCCN(C)C)c1-c1ccccc1 ZINC000072341701 431337473 /nfs/dbraw/zinc/33/74/73/431337473.db2.gz LHAFYHTVRLEGRS-UHFFFAOYSA-N 0 3 323.444 3.295 40 0 DGABHN C[C@@H](O)CNCc1cccc(OCc2ccccc2Cl)c1 ZINC000008535097 431403409 /nfs/dbraw/zinc/40/34/09/431403409.db2.gz RTZBRVKLHWKFSR-CYBMUJFWSA-N 0 3 305.805 3.389 40 0 DGABHN CCc1ccc2[nH]c(=O)c(CNCc3ccc(OC)cc3)cc2c1 ZINC000012468831 431511470 /nfs/dbraw/zinc/51/14/70/431511470.db2.gz QPUYRTBCMAEXRI-UHFFFAOYSA-N 0 3 322.408 3.389 40 0 DGABHN Cc1ccc(CN2Cc3ccccc3O[C@@H](CN(C)C)C2)s1 ZINC000019217269 431617500 /nfs/dbraw/zinc/61/75/00/431617500.db2.gz UKDQIXUBWZPZHY-INIZCTEOSA-N 0 3 316.470 3.381 40 0 DGABHN O=C(Nc1cccc(Cl)c1Cl)N1CCN2CCC[C@H]2C1 ZINC000027932266 431697425 /nfs/dbraw/zinc/69/74/25/431697425.db2.gz VAUQIZLZRUGCKA-JTQLQIEISA-N 0 3 314.216 3.305 40 0 DGABHN C[C@@H](CCN1CCOCC1)Nc1ccnc2cc(Cl)ccc21 ZINC000034721071 431820508 /nfs/dbraw/zinc/82/05/08/431820508.db2.gz AVOCPUOPDRSMCW-ZDUSSCGKSA-N 0 3 319.836 3.411 40 0 DGABHN Cc1cccc(CN2CC[C@]3(CCN(Cc4ccoc4)C3)C2=O)c1 ZINC000096050563 431934831 /nfs/dbraw/zinc/93/48/31/431934831.db2.gz NSNMBOIHBLXAOF-FQEVSTJZSA-N 0 3 324.424 3.213 40 0 DGABHN c1ccc(-c2nnc([C@H]3CCN(Cc4cccnc4)C3)o2)cc1 ZINC000049169353 431937267 /nfs/dbraw/zinc/93/72/67/431937267.db2.gz XMFMXGCJEXGYQN-INIZCTEOSA-N 0 3 306.369 3.121 40 0 biogenic,in-vitro DGABHN CC(C)N1CC2(CCN([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000096078777 431937917 /nfs/dbraw/zinc/93/79/17/431937917.db2.gz DWCGIENRGUGAFG-MRXNPFEDSA-N 0 3 300.446 3.038 40 0 DGABHN c1ccc(COC[C@@]23CCC[C@@H]2CN(Cc2ccccn2)C3)nc1 ZINC000096111045 431938440 /nfs/dbraw/zinc/93/84/40/431938440.db2.gz DKNDBWPPXXVSHY-XLIONFOSSA-N 0 3 323.440 3.296 40 0 DGABHN c1coc(CN2CCC3(CO[C@H](COCC4CC4)C3)CC2)c1 ZINC000096105961 431939162 /nfs/dbraw/zinc/93/91/62/431939162.db2.gz ZTUFAJAXGJYCTM-KRWDZBQOSA-N 0 3 305.418 3.077 40 0 DGABHN Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)o1 ZINC000096199588 431942763 /nfs/dbraw/zinc/94/27/63/431942763.db2.gz CGXVLZVCDZOZJQ-GOSISDBHSA-N 0 3 324.424 3.226 40 0 DGABHN CCO[C@@H]1CC2(CCN([C@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241674 431943211 /nfs/dbraw/zinc/94/32/11/431943211.db2.gz ZRJQGKGCUGUYHW-MAUKXSAKSA-N 0 3 319.420 3.430 40 0 DGABHN Cc1c[nH]c([C@@H]2CCN(Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257206641 432417555 /nfs/dbraw/zinc/41/75/55/432417555.db2.gz BEIVUIUTKDVQRA-QGZVFWFLSA-N 0 3 319.412 3.165 40 0 DGABHN Cc1cccc(CN2C[C@@H]3[C@H](Oc4cccnc4C)CC[C@@H]3C2)n1 ZINC000257215119 432418744 /nfs/dbraw/zinc/41/87/44/432418744.db2.gz COTWYDXBXFCWIU-IMFGXOCKSA-N 0 3 323.440 3.383 40 0 DGABHN O=C(C1CCC1)N1CCC[C@H]1c1cccc(CN2CCCC2)n1 ZINC000257256463 432422891 /nfs/dbraw/zinc/42/28/91/432422891.db2.gz KLPMGTCJPVYEQU-SFHVURJKSA-N 0 3 313.445 3.141 40 0 DGABHN CC(C)CCN1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225486630 432692660 /nfs/dbraw/zinc/69/26/60/432692660.db2.gz GUABBTMYVFCCAY-HNNXBMFYSA-N 0 3 306.381 3.403 40 0 biogenic,in-vitro DGABHN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](N)CC1CCCCC1 ZINC000261853164 657139154 /nfs/dbraw/zinc/13/91/54/657139154.db2.gz JRVAJMLWXOTGEG-PBHICJAKSA-N 0 3 318.461 3.479 40 0 DGABHN OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1OCc1ccccc1 ZINC001772491077 1197698584 /nfs/dbraw/zinc/69/85/84/1197698584.db2.gz DAEQJRXBQKIVSA-UXHICEINSA-N 0 3 311.425 3.086 40 0 DGABHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2cccc(F)c2)C1 ZINC000067801326 190723579 /nfs/dbraw/zinc/72/35/79/190723579.db2.gz PKADNTNWLFEQPF-HNNXBMFYSA-N 0 3 308.397 3.315 40 0 DGABHN C[C@@H](c1ccccn1)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000072203779 191075403 /nfs/dbraw/zinc/07/54/03/191075403.db2.gz LBYCCMUITUMZQP-AWEZNQCLSA-N 0 3 319.449 3.379 40 0 DGABHN CNc1cc(CN(C)C)nc([C@@H]2CCCCN2C2CCCC2)n1 ZINC000072352018 191129537 /nfs/dbraw/zinc/12/95/37/191129537.db2.gz LPPGYHNLMWGHTQ-INIZCTEOSA-N 0 3 317.481 3.050 40 0 DGABHN c1cn(-c2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cn1 ZINC000072378632 191140741 /nfs/dbraw/zinc/14/07/41/191140741.db2.gz DSYPPXSQVCIRTA-QGZVFWFLSA-N 0 3 319.412 3.042 40 0 DGABHN COc1cc2c(cc1O)[C@H](CCc1ccc(O)cc1)N(C)CC2 ZINC000003847469 181048888 /nfs/dbraw/zinc/04/88/88/181048888.db2.gz DTOIFYMRBLCQCF-KRWDZBQOSA-N 0 3 313.397 3.268 40 0 DGABHN C[C@@H](N1CCN(C)CC1)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000019365815 296031198 /nfs/dbraw/zinc/03/11/98/296031198.db2.gz WEMKXTZKYQLYKL-YLJYHZDGSA-N 0 3 316.489 3.090 40 0 DGABHN COc1ccc([C@@H](Cc2ccc(Cl)cc2)NCCO)cc1 ZINC000006484426 181344457 /nfs/dbraw/zinc/34/44/57/181344457.db2.gz ZRBBTNAWVCKGTC-QGZVFWFLSA-N 0 3 305.805 3.214 40 0 DGABHN Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2ccsc2)n1 ZINC000257274162 203002793 /nfs/dbraw/zinc/00/27/93/203002793.db2.gz NJVDBGNILNUNOG-INIZCTEOSA-N 0 3 316.474 3.245 40 0 DGABHN CCN(C(=O)c1scnc1C)[C@@H]1CN(C)C2(C1)CCCCC2 ZINC000257306081 203030730 /nfs/dbraw/zinc/03/07/30/203030730.db2.gz SSUYHKIHLDSTQA-AWEZNQCLSA-N 0 3 321.490 3.321 40 0 DGABHN Cc1ccccc1CN1CC2(C1)CO[C@H](Cc1cccnc1)C2 ZINC000257307018 203032774 /nfs/dbraw/zinc/03/27/74/203032774.db2.gz SWXCQBBGZIGRLD-LJQANCHMSA-N 0 3 308.425 3.224 40 0 DGABHN Cc1ccccc1-c1ncc(CN(C)CCN2CCCCC2)cn1 ZINC000019237534 182110650 /nfs/dbraw/zinc/11/06/50/182110650.db2.gz YVFTUWOWJCOWRD-UHFFFAOYSA-N 0 3 324.472 3.370 40 0 DGABHN c1csc(-c2noc([C@H]3CCN(Cc4cccnc4)C3)n2)c1 ZINC000019338873 182117083 /nfs/dbraw/zinc/11/70/83/182117083.db2.gz ZIMWQOHYIUIIGX-ZDUSSCGKSA-N 0 3 312.398 3.183 40 0 DGABHN CCn1cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(C)n1 ZINC000019524541 182128494 /nfs/dbraw/zinc/12/84/94/182128494.db2.gz IXTHEGPMHCWFGN-INIZCTEOSA-N 0 3 323.444 3.467 40 0 DGABHN CCOc1ccc(CNC[C@@H](O)c2ccccc2)cc1OCC ZINC000022076040 182308298 /nfs/dbraw/zinc/30/82/98/182308298.db2.gz IZIXNQWHRBJTAF-QGZVFWFLSA-N 0 3 315.413 3.307 40 0 DGABHN OC[C@@H](Cc1ccccc1)NCc1ccccc1C(F)(F)F ZINC000024269354 182378070 /nfs/dbraw/zinc/37/80/70/182378070.db2.gz VOXDILDMGONGDK-OAHLLOKOSA-N 0 3 309.331 3.399 40 0 DGABHN c1csc([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000157020318 197156193 /nfs/dbraw/zinc/15/61/93/197156193.db2.gz DZFBSCAOOHMWGA-AWEZNQCLSA-N 0 3 316.426 3.294 40 0 DGABHN C[C@@H]1CN([C@@H](CN)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000020549076 257130243 /nfs/dbraw/zinc/13/02/43/257130243.db2.gz XFLUILIYAOXTNV-RBZYPMLTSA-N 0 3 303.233 3.102 40 0 DGABHN c1cc(CN2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)co1 ZINC000585103394 400125232 /nfs/dbraw/zinc/12/52/32/400125232.db2.gz AWFVMAQBXQPAQJ-SFHVURJKSA-N 0 3 319.445 3.467 40 0 DGABHN COCC[C@@H]1CCOC12CCN(Cc1cccc(F)c1)CC2 ZINC000585104284 400125405 /nfs/dbraw/zinc/12/54/05/400125405.db2.gz GREBRLIPQFWZSQ-MRXNPFEDSA-N 0 3 307.409 3.233 40 0 DGABHN COCC[C@@H]1CCOC12CCN(Cc1cccc(OC)c1)CC2 ZINC000585104484 400125885 /nfs/dbraw/zinc/12/58/85/400125885.db2.gz JAYKSCOXUWJHAB-QGZVFWFLSA-N 0 3 319.445 3.103 40 0 DGABHN CC(=O)N1CCCCC[C@@H]2[C@@H]1CCN2Cc1cccc(F)c1 ZINC000019712155 400186035 /nfs/dbraw/zinc/18/60/35/400186035.db2.gz DRYVMYWIBMTYQH-MSOLQXFVSA-N 0 3 304.409 3.191 40 0 DGABHN Cc1ccccc1O[C@@H]1CCC[C@H](NCc2ccccc2)[C@H]1O ZINC000585289682 400131519 /nfs/dbraw/zinc/13/15/19/400131519.db2.gz UXRKUOUCFHYEFA-DFQSSKMNSA-N 0 3 311.425 3.446 40 0 DGABHN c1cc2cc(C[C@@H]3COCCN(Cc4ccncc4)C3)ccc2[nH]1 ZINC000257282989 275065833 /nfs/dbraw/zinc/06/58/33/275065833.db2.gz OWEARGWSRVZRAZ-SFHVURJKSA-N 0 3 321.424 3.254 40 0 DGABHN CC(C)[C@H](N)C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000079420429 277902652 /nfs/dbraw/zinc/90/26/52/277902652.db2.gz OMXAKZCBFFUATF-AWEZNQCLSA-N 0 3 315.244 3.468 40 0 DGABHN CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3)NCCC[C@H]12 ZINC000228975127 278409857 /nfs/dbraw/zinc/40/98/57/278409857.db2.gz XRRQIGUDVJTTIW-YJBOKZPZSA-N 0 3 302.418 3.275 40 0 DGABHN CN(C)CCOc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000000407228 431175322 /nfs/dbraw/zinc/17/53/22/431175322.db2.gz IQOCODOAIGYXOB-UHFFFAOYSA-N 0 3 309.365 3.400 40 0 DGABHN CN(C)CCN(C)C(=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC000001710798 431236143 /nfs/dbraw/zinc/23/61/43/431236143.db2.gz MQXDQFOZJJEPAG-SFHVURJKSA-N 0 3 302.462 3.371 40 0 DGABHN c1ccc(Cc2cncc([C@@H]3CCCN3C3CCOCC3)n2)cc1 ZINC000072355702 431334010 /nfs/dbraw/zinc/33/40/10/431334010.db2.gz YNQWYEFFDZOLES-FQEVSTJZSA-N 0 3 323.440 3.383 40 0 DGABHN C[C@H]1CN2CCC[C@@H]2CN1Cc1ccc(Br)s1 ZINC000072324498 431336192 /nfs/dbraw/zinc/33/61/92/431336192.db2.gz DHYMOBDSLLFTKQ-WDEREUQCSA-N 0 3 315.280 3.179 40 0 DGABHN Cc1ccc(NC(=S)NC[C@@H]2CCCN(C)C2)c(Cl)c1 ZINC000009876212 431447540 /nfs/dbraw/zinc/44/75/40/431447540.db2.gz QAUCCRUIZWRLFG-LBPRGKRZSA-N 0 3 311.882 3.277 40 0 DGABHN CC(=O)N1CCc2ccccc2[C@H]1[C@H]1NCCc2ccccc21 ZINC000031750749 431764898 /nfs/dbraw/zinc/76/48/98/431764898.db2.gz AVKSIFQMKNTASD-PMACEKPBSA-N 0 3 306.409 3.019 40 0 DGABHN CC(C)(C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038832337 431856173 /nfs/dbraw/zinc/85/61/73/431856173.db2.gz FMMQXCVWFQZAGL-CQSZACIVSA-N 0 3 308.853 3.467 40 0 DGABHN Cc1ccsc1CN1CC[C@H]2C[C@@H](c3nc(C)no3)O[C@@H]2C1 ZINC000096042970 431935969 /nfs/dbraw/zinc/93/59/69/431935969.db2.gz VUTHFZLSSCSXHJ-MELADBBJSA-N 0 3 319.430 3.100 40 0 DGABHN c1cncc(CN2CCCC3(CCN(c4cccnc4)CC3)C2)c1 ZINC000096071845 431936280 /nfs/dbraw/zinc/93/62/80/431936280.db2.gz VIAHFBIRVIXCQX-UHFFFAOYSA-N 0 3 322.456 3.359 40 0 DGABHN COc1ccc(C[C@H]2CN(Cc3ccco3)CC[C@@H]2OC)cc1 ZINC000096110545 431938590 /nfs/dbraw/zinc/93/85/90/431938590.db2.gz ZPOMTPPZFHFOCM-LPHOPBHVSA-N 0 3 315.413 3.368 40 0 DGABHN c1ccc(CN2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)nc1 ZINC000096111033 431938615 /nfs/dbraw/zinc/93/86/15/431938615.db2.gz NVLKLZOZGUHGFR-QUCCMNQESA-N 0 3 323.440 3.296 40 0 DGABHN CN1Cc2ccccc2CC2(CCN(Cc3ccco3)CC2)C1=O ZINC000096161294 431940637 /nfs/dbraw/zinc/94/06/37/431940637.db2.gz XMWQJOYMIWYNAB-UHFFFAOYSA-N 0 3 324.424 3.077 40 0 DGABHN c1cc(CN2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)cs1 ZINC000096220145 431942486 /nfs/dbraw/zinc/94/24/86/431942486.db2.gz AAONOPOVCOGAGK-IRXDYDNUSA-N 0 3 307.459 3.298 40 0 DGABHN CN(C)C[C@H]1CN(Cc2cccc3ccccc32)Cc2cncn21 ZINC000248081365 432266780 /nfs/dbraw/zinc/26/67/80/432266780.db2.gz CUNAQEVDGTTZJE-IBGZPJMESA-N 0 3 320.440 3.155 40 0 DGABHN CC(C)[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000260901786 432428984 /nfs/dbraw/zinc/42/89/84/432428984.db2.gz NZXPBGFQXNBDBW-ZBFHGGJFSA-N 0 3 306.425 3.198 40 0 DGABHN Cc1ccnc([C@H]2CCN(Cc3cn(C)c4ccccc34)C2)n1 ZINC000257234965 432421272 /nfs/dbraw/zinc/42/12/72/432421272.db2.gz GVUSMAYNLZYKPL-HNNXBMFYSA-N 0 3 306.413 3.266 40 0 DGABHN c1cc2cc(C[C@@H]3CCCN(Cc4ccccn4)C3)cnc2[nH]1 ZINC000257229246 432421340 /nfs/dbraw/zinc/42/13/40/432421340.db2.gz FXIMSKPXDLLUDD-HNNXBMFYSA-N 0 3 306.413 3.413 40 0 DGABHN CO[C@H]1CCCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000377240544 313031944 /nfs/dbraw/zinc/03/19/44/313031944.db2.gz DGSQLCVOLMDNPC-SFHVURJKSA-N 0 3 313.445 3.490 40 0 DGABHN CC(C)[C@@H]([NH3+])c1nnc(COc2ccc(C(C)(C)C)cc2)[n-]1 ZINC000095534793 185379001 /nfs/dbraw/zinc/37/90/01/185379001.db2.gz LQAJTDHLNPBDPY-OAHLLOKOSA-N 0 3 302.422 3.337 40 0 DGABHN CC(C)[C@@H]([NH3+])c1nc(COc2ccc(C(C)(C)C)cc2)n[n-]1 ZINC000095534793 185379002 /nfs/dbraw/zinc/37/90/02/185379002.db2.gz LQAJTDHLNPBDPY-OAHLLOKOSA-N 0 3 302.422 3.337 40 0 DGABHN c1cn(-c2nccnc2[C@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000072350480 191128029 /nfs/dbraw/zinc/12/80/29/191128029.db2.gz MRHFAKLTJFBQAJ-KRWDZBQOSA-N 0 3 319.412 3.042 40 0 DGABHN Cc1cc(CCC(=O)Nc2cccnc2)cc([C@H]2CCCN2C)n1 ZINC000072360558 191132323 /nfs/dbraw/zinc/13/23/23/191132323.db2.gz LQHZODQUILMVMM-GOSISDBHSA-N 0 3 324.428 3.123 40 0 DGABHN Cc1cccnc1Nc1cncc([C@@H]2CCCN2CC2CC2)n1 ZINC000072376295 191139084 /nfs/dbraw/zinc/13/90/84/191139084.db2.gz SGAQDXHPPYBQQI-INIZCTEOSA-N 0 3 309.417 3.471 40 0 DGABHN c1cn(-c2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)cn1 ZINC000072378618 191141730 /nfs/dbraw/zinc/14/17/30/191141730.db2.gz BTJLJLGTCRZOSQ-INIZCTEOSA-N 0 3 319.412 3.042 40 0 DGABHN Cc1nc(Nc2cnccn2)cc([C@H]2CCCCN2C(C)C)n1 ZINC000072382648 191142669 /nfs/dbraw/zinc/14/26/69/191142669.db2.gz XSOJXSHZCIIYRI-OAHLLOKOSA-N 0 3 312.421 3.254 40 0 DGABHN Cc1nc(Nc2ncccn2)cc(C2CN(C3CCCCC3)C2)n1 ZINC000072382606 191142074 /nfs/dbraw/zinc/14/20/74/191142074.db2.gz GFVHJYZWDVLTIQ-UHFFFAOYSA-N 0 3 324.432 3.051 40 0 DGABHN Fc1ccccc1CN1CC[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000072389899 191147980 /nfs/dbraw/zinc/14/79/80/191147980.db2.gz SXYYLNQQSPRWCL-HNNXBMFYSA-N 0 3 324.359 3.260 40 0 DGABHN Cc1noc(C)c1CN1CC[C@H]2OCCC[C@@]2(COC(C)C)C1 ZINC000107712805 432037629 /nfs/dbraw/zinc/03/76/29/432037629.db2.gz YIFJLDWXQHYNLK-MSOLQXFVSA-N 0 3 322.449 3.088 40 0 DGABHN CCCCn1cc(CN2CCC[C@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257275559 203003995 /nfs/dbraw/zinc/00/39/95/203003995.db2.gz NPWVPACLSRVNPD-HNNXBMFYSA-N 0 3 301.438 3.094 40 0 DGABHN Cc1cnc(-c2cc(C)nc(CC3CCN(C)CC3)n2)s1 ZINC000257287502 203013132 /nfs/dbraw/zinc/01/31/32/203013132.db2.gz PQGLGACFFXIIJJ-UHFFFAOYSA-N 0 3 302.447 3.101 40 0 DGABHN CCCCc1nc(CN2CCC[C@@H](c3n[nH]cc3C)C2)c[nH]1 ZINC000257321577 203044986 /nfs/dbraw/zinc/04/49/86/203044986.db2.gz WCFJEBNAVGAOOI-CQSZACIVSA-N 0 3 301.438 3.163 40 0 DGABHN CCCCc1ncc(CN2CCC[C@@H](c3n[nH]cc3C)C2)[nH]1 ZINC000257321577 203044988 /nfs/dbraw/zinc/04/49/88/203044988.db2.gz WCFJEBNAVGAOOI-CQSZACIVSA-N 0 3 301.438 3.163 40 0 DGABHN Cn1nccc1CN1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257344180 203066658 /nfs/dbraw/zinc/06/66/58/203066658.db2.gz ZWBPORIEGNZOAD-HNNXBMFYSA-N 0 3 306.413 3.033 40 0 DGABHN CCC(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019498377 182126274 /nfs/dbraw/zinc/12/62/74/182126274.db2.gz JZEXXJPTKCQXDZ-UHFFFAOYSA-N 0 3 316.445 3.061 40 0 DGABHN COc1ccc(CN2CCC(c3cc4nccnc4[nH]3)CC2)cc1 ZINC000019555034 182129834 /nfs/dbraw/zinc/12/98/34/182129834.db2.gz BUEAUEIOPNOKSY-UHFFFAOYSA-N 0 3 322.412 3.346 40 0 DGABHN Cc1noc(C)c1C(=O)N1CCC[C@H](c2cc3c[nH]ccc-3n2)C1 ZINC000019579979 182131095 /nfs/dbraw/zinc/13/10/95/182131095.db2.gz FYVVINAATWOSFK-ZDUSSCGKSA-N 0 3 324.384 3.188 40 0 DGABHN Cc1noc(C)c1C(=O)N1CCC[C@H](c2cc3cnccc3[nH]2)C1 ZINC000019579979 182131097 /nfs/dbraw/zinc/13/10/97/182131097.db2.gz FYVVINAATWOSFK-ZDUSSCGKSA-N 0 3 324.384 3.188 40 0 DGABHN Fc1ccccc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019842420 182155603 /nfs/dbraw/zinc/15/56/03/182155603.db2.gz MPKNCPVSEPNVPJ-SOLBZPMBSA-N 0 3 300.421 3.156 40 0 DGABHN CC1CCN(Cc2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000020493017 182224303 /nfs/dbraw/zinc/22/43/03/182224303.db2.gz MOGVGBWWSLLHBS-UHFFFAOYSA-N 0 3 323.440 3.244 40 0 DGABHN CCCCN1CCCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216607 257125140 /nfs/dbraw/zinc/12/51/40/257125140.db2.gz VPRYVECOXSEGBR-SFHVURJKSA-N 0 3 316.493 3.161 40 0 DGABHN COCC[C@@H]1CCOC12CCN(Cc1ccccc1OC)CC2 ZINC000585103292 400125780 /nfs/dbraw/zinc/12/57/80/400125780.db2.gz AQUVBJLOGVHGCW-QGZVFWFLSA-N 0 3 319.445 3.103 40 0 DGABHN CC(C)Cc1ncc(-c2cnc(C[C@@H]3CCN(C)C3)cn2)s1 ZINC000585261165 400129965 /nfs/dbraw/zinc/12/99/65/400129965.db2.gz VZVOBUPTSNTDQR-ZDUSSCGKSA-N 0 3 316.474 3.293 40 0 DGABHN CN1CC2(CCN(Cc3cccnc3)CC2)c2cc(F)ccc21 ZINC000096261811 273867493 /nfs/dbraw/zinc/86/74/93/273867493.db2.gz DXEWECMTDBHKBK-UHFFFAOYSA-N 0 3 311.404 3.204 40 0 DGABHN CO[C@H]1CC2(CCN([C@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241661 274078880 /nfs/dbraw/zinc/07/88/80/274078880.db2.gz VYRVGMIVYHDGCN-YOEHRIQHSA-N 0 3 305.393 3.039 40 0 DGABHN O=C(c1ccccc1)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408613710 275014115 /nfs/dbraw/zinc/01/41/15/275014115.db2.gz ZPOVXWTWTKKMPD-FQEVSTJZSA-N 0 3 320.436 3.350 40 0 DGABHN CN1CCN(c2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1 ZINC000000045690 431114997 /nfs/dbraw/zinc/11/49/97/431114997.db2.gz OBYNTFAIIAIHBH-UHFFFAOYSA-N 0 3 307.401 3.058 40 0 DGABHN CN(C)CCOC(=O)C(C)(C)Sc1ccc(Cl)cc1 ZINC000001610200 431233444 /nfs/dbraw/zinc/23/34/44/431233444.db2.gz QGZCHIXCLNZUCJ-UHFFFAOYSA-N 0 3 301.839 3.316 40 0 DGABHN CC(=O)O[C@H](c1ccnc2ccccc21)[C@@H]1CC2CCN1CC2 ZINC000001680261 431237430 /nfs/dbraw/zinc/23/74/30/431237430.db2.gz AQPAKLCDHXUDCB-RBUKOAKNSA-N 0 3 310.397 3.323 40 0 DGABHN COc1cc2c(cc1OC)[C@@H]1C[C@H](O)[C@@H](CC(C)C)CN1CC2 ZINC000005760071 431311595 /nfs/dbraw/zinc/31/15/95/431311595.db2.gz WEQLWGNDNRARGE-XIRDDKMYSA-N 0 3 319.445 3.030 40 0 world DGABHN C[C@@H](O)CNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000008535107 431402914 /nfs/dbraw/zinc/40/29/14/431402914.db2.gz YFUPVFZRJSUVJV-CYBMUJFWSA-N 0 3 305.805 3.389 40 0 DGABHN CCOc1cc(C=O)ccc1OCCCN1CCC(C)CC1 ZINC000008731568 431409191 /nfs/dbraw/zinc/40/91/91/431409191.db2.gz NGWDYXSREFEQQL-UHFFFAOYSA-N 0 3 305.418 3.399 40 0 DGABHN Cc1cccc(C2(O)CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000012292083 431500452 /nfs/dbraw/zinc/50/04/52/431500452.db2.gz RHZPUERTRAVWLV-IBGZPJMESA-N 0 3 311.425 3.012 40 0 DGABHN Cc1cc(C)c2cc(CNCc3cccs3)c3nnnn3c2c1 ZINC000013998130 431575290 /nfs/dbraw/zinc/57/52/90/431575290.db2.gz OAIYOKHPGXJNRE-UHFFFAOYSA-N 0 3 323.425 3.246 40 0 DGABHN Cc1ccc(CNCc2cc3ccc(C)cc3n3nnnc23)cc1 ZINC000013998152 431577177 /nfs/dbraw/zinc/57/71/77/431577177.db2.gz YLRQXYIELCWGJY-UHFFFAOYSA-N 0 3 317.396 3.184 40 0 DGABHN C[C@H](N1CCN(C)CC1)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000019365817 431618744 /nfs/dbraw/zinc/61/87/44/431618744.db2.gz WEMKXTZKYQLYKL-PXNSSMCTSA-N 0 3 316.489 3.090 40 0 DGABHN CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000078578593 431684243 /nfs/dbraw/zinc/68/42/43/431684243.db2.gz LWSJRUAVEJFJDH-MRXNPFEDSA-N 0 3 322.408 3.198 40 0 DGABHN CC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028221056 431701855 /nfs/dbraw/zinc/70/18/55/431701855.db2.gz OHEIXLBMIIKYCY-DZGCQCFKSA-N 0 3 308.853 3.467 40 0 DGABHN O=C(NCCCN1CCc2ccccc2C1)NC1CCCCC1 ZINC000047579390 431912547 /nfs/dbraw/zinc/91/25/47/431912547.db2.gz XENNRNADNRDIDL-UHFFFAOYSA-N 0 3 315.461 3.067 40 0 DGABHN Cc1cc(N2CCNCC2)nc2c(C)cc(Br)cc12 ZINC000095095263 431921840 /nfs/dbraw/zinc/92/18/40/431921840.db2.gz OKJVCFPIFGHQGV-UHFFFAOYSA-N 0 3 320.234 3.024 40 0 DGABHN FC(F)(F)c1ccc2c(c1)ncc(Cl)c2N1CCNCC1 ZINC000044628728 431876323 /nfs/dbraw/zinc/87/63/23/431876323.db2.gz UWHOCGLGAIQQEZ-UHFFFAOYSA-N 0 3 315.726 3.317 40 0 DGABHN CCc1ccc(CN2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)cc1 ZINC000096046338 431935091 /nfs/dbraw/zinc/93/50/91/431935091.db2.gz ISWLZMOGDVTAGW-YSIASYRMSA-N 0 3 323.440 3.391 40 0 DGABHN Fc1ccc(CN2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)cc1 ZINC000096048558 431935188 /nfs/dbraw/zinc/93/51/88/431935188.db2.gz XFUMQKSJHUFULB-ROUUACIJSA-N 0 3 315.392 3.018 40 0 DGABHN c1coc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)c1 ZINC000096039798 431935661 /nfs/dbraw/zinc/93/56/61/431935661.db2.gz AXHWVVFYWPBOKW-QZTJIDSGSA-N 0 3 305.418 3.077 40 0 DGABHN CC(C)C[C@@H]1N[C@H](C(=O)NC(C)C)Cc2c[nH]c3cccc1c23 ZINC000049171396 431936817 /nfs/dbraw/zinc/93/68/17/431936817.db2.gz BLTCUHUIPFCDJA-IRXDYDNUSA-N 0 3 313.445 3.294 40 0 biogenic,in-vitro DGABHN Fc1ccccc1-c1nnc([C@H]2CCN(Cc3ccccn3)C2)o1 ZINC000049170562 431937138 /nfs/dbraw/zinc/93/71/38/431937138.db2.gz WBYDNGDIZABVIQ-ZDUSSCGKSA-N 0 3 324.359 3.260 40 0 biogenic,in-vitro DGABHN CC(C)CN1c2ccccc2[C@]2(CCN(Cc3ccoc3)C2)C1=O ZINC000096100296 431937784 /nfs/dbraw/zinc/93/77/84/431937784.db2.gz LZQLLFRNPORNGT-HXUWFJFHSA-N 0 3 324.424 3.426 40 0 DGABHN c1cc(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)co1 ZINC000096106454 431939116 /nfs/dbraw/zinc/93/91/16/431939116.db2.gz VMWOBIDMBYXYEY-GOSISDBHSA-N 0 3 319.445 3.325 40 0 DGABHN CCO[C@H]1COC2(C1)CCN(Cc1ccc(C)c(C)c1)CC2 ZINC000096220608 431942377 /nfs/dbraw/zinc/94/23/77/431942377.db2.gz VXFUECPDVJHANP-GOSISDBHSA-N 0 3 303.446 3.463 40 0 DGABHN Cc1ccc(CN2CCC[C@]3(CCN(C(=O)C4CCC4)C3)C2)o1 ZINC000096215946 431942512 /nfs/dbraw/zinc/94/25/12/431942512.db2.gz IREGMEBPWVZQML-IBGZPJMESA-N 0 3 316.445 3.203 40 0 DGABHN CN1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 ZINC000096267266 431944123 /nfs/dbraw/zinc/94/41/23/431944123.db2.gz UZEJMEOOQGVYAY-UHFFFAOYSA-N 0 3 310.376 3.345 40 0 DGABHN CC1=C[C@@H](C)[C@H]([C@@H]2NC(=N)Nc3nc4ccccc4n32)[C@H](C)C1 ZINC000053944170 431965614 /nfs/dbraw/zinc/96/56/14/431965614.db2.gz MPVKDSOURSACLP-AVRGHOLYSA-N 0 3 309.417 3.323 40 0 DGABHN Cc1ccc(CN2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)o1 ZINC000248073885 432265595 /nfs/dbraw/zinc/26/55/95/432265595.db2.gz GXHKPNLWTZSUHT-HOCLYGCPSA-N 0 3 317.458 3.141 40 0 DGABHN CNc1cc(C)nc([C@@H]2CCN(Cc3scnc3C)C2)c1 ZINC000257231368 432420438 /nfs/dbraw/zinc/42/04/38/432420438.db2.gz GGKGVTLINALTOD-CYBMUJFWSA-N 0 3 302.447 3.186 40 0 DGABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3ccsc3)C2)n1 ZINC000257244973 432423071 /nfs/dbraw/zinc/42/30/71/432423071.db2.gz INOJOSKZIXXDJM-CYBMUJFWSA-N 0 3 315.442 3.147 40 0 DGABHN COc1ccccc1CN1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000224073401 432680338 /nfs/dbraw/zinc/68/03/38/432680338.db2.gz UOKVAMYHHWWGJP-YQVWRLOYSA-N 0 3 312.457 3.025 40 0 DGABHN CC(C)(C)OC(=O)Nc1cccc(OC(F)(F)F)c1CN ZINC000199831031 563516122 /nfs/dbraw/zinc/51/61/22/563516122.db2.gz FEBRNELXBXYLNI-UHFFFAOYSA-N 0 3 306.284 3.391 40 0 DGABHN CNc1cc(CN(C)C)nc([C@H]2CCCCN2C2CCCC2)n1 ZINC000072352019 191129457 /nfs/dbraw/zinc/12/94/57/191129457.db2.gz LPPGYHNLMWGHTQ-MRXNPFEDSA-N 0 3 317.481 3.050 40 0 DGABHN c1cnc(Nc2nccnc2[C@H]2CCCN2C2CCCC2)cn1 ZINC000072363426 191131869 /nfs/dbraw/zinc/13/18/69/191131869.db2.gz HNWFBIMAMJSTNV-CQSZACIVSA-N 0 3 310.405 3.090 40 0 DGABHN c1ccc(-c2noc([C@@H]3CCN(Cc4cccnc4)C3)n2)cc1 ZINC000072369819 191140032 /nfs/dbraw/zinc/14/00/32/191140032.db2.gz YIDVCSXXHXSMFX-MRXNPFEDSA-N 0 3 306.369 3.121 40 0 DGABHN CCN1CCN(Cc2c3cccnc3[nH]c2C2CCCC2)CC1 ZINC000072393345 191148895 /nfs/dbraw/zinc/14/88/95/191148895.db2.gz UUZYLJCAIVWLLP-UHFFFAOYSA-N 0 3 312.461 3.358 40 0 DGABHN C[C@H](CN(C)C)Nc1ncc(-c2ccco2)c(-c2ccco2)n1 ZINC000072396884 191149296 /nfs/dbraw/zinc/14/92/96/191149296.db2.gz LFEXBBLTYRQECD-GFCCVEGCSA-N 0 3 312.373 3.359 40 0 DGABHN COc1ccc(C(=O)[C@H]2SC(=N)N[C@@H]2c2ccccc2)cc1 ZINC000003019697 180977436 /nfs/dbraw/zinc/97/74/36/180977436.db2.gz ZCHDLPRNEZDIPX-ZBFHGGJFSA-N 0 3 312.394 3.049 40 0 DGABHN COc1cc2c3c(c1OCc1ccccc1)NCC[C@H]3NCC2 ZINC000003594039 181037656 /nfs/dbraw/zinc/03/76/56/181037656.db2.gz GYXBHLYSDHWPLS-OAHLLOKOSA-N 0 3 310.397 3.277 40 0 DGABHN COc1cc2c(cc1O)[C@@H](CCc1ccc(O)cc1)N(C)CC2 ZINC000003847470 181048979 /nfs/dbraw/zinc/04/89/79/181048979.db2.gz DTOIFYMRBLCQCF-QGZVFWFLSA-N 0 3 313.397 3.268 40 0 DGABHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000067801285 432041646 /nfs/dbraw/zinc/04/16/46/432041646.db2.gz AYYXKFMEIZHHDU-CQSZACIVSA-N 0 3 308.397 3.315 40 0 DGABHN O=C1C[C@@H](NC2CCCCCCC2)C(=O)N1c1ccccc1 ZINC000004954092 181178678 /nfs/dbraw/zinc/17/86/78/181178678.db2.gz HHXVUBYMSSNJMC-MRXNPFEDSA-N 0 3 300.402 3.021 40 0 DGABHN O=C(CCN1CCCCC1)c1ccc2c(c1)OCCCCO2 ZINC000005514231 181252248 /nfs/dbraw/zinc/25/22/48/181252248.db2.gz FZTUKKJKVWHJSU-UHFFFAOYSA-N 0 3 303.402 3.297 40 0 DGABHN Cc1cn(C)c([C@@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 ZINC000257294685 203018961 /nfs/dbraw/zinc/01/89/61/203018961.db2.gz QVGZCZLBYUPWNI-GOSISDBHSA-N 0 3 323.440 3.384 40 0 DGABHN CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCCC2)c1 ZINC000257330929 203053548 /nfs/dbraw/zinc/05/35/48/203053548.db2.gz XQPUCPXGMBINIH-UHFFFAOYSA-N 0 3 309.413 3.046 40 0 DGABHN Fc1cccc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000019293790 182113568 /nfs/dbraw/zinc/11/35/68/182113568.db2.gz VPBJLNQDQNDIIJ-OAHLLOKOSA-N 0 3 324.359 3.260 40 0 DGABHN Cc1ccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1C ZINC000019214012 182107607 /nfs/dbraw/zinc/10/76/07/182107607.db2.gz QDJOSCBNVODECI-IBGZPJMESA-N 0 3 322.456 3.076 40 0 DGABHN COc1ccccc1CN[C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019570868 182131056 /nfs/dbraw/zinc/13/10/56/182131056.db2.gz YSUXAIHVGROHTO-DLBZAZTESA-N 0 3 301.361 3.107 40 0 DGABHN Cc1nn(C)cc1-c1cncn1C[C@H](c1ccc(C)cc1)N(C)C ZINC000019719468 182137499 /nfs/dbraw/zinc/13/74/99/182137499.db2.gz YRGZYKIELMYCMO-LJQANCHMSA-N 0 3 323.444 3.203 40 0 DGABHN CN(C)CCN(Cc1cccs1)Cc1nc2ccccc2[nH]1 ZINC000019582661 182132507 /nfs/dbraw/zinc/13/25/07/182132507.db2.gz DUXQNKVKNRUWCC-UHFFFAOYSA-N 0 3 314.458 3.188 40 0 DGABHN CCOc1ccc(CNC[C@H](O)c2ccccc2)cc1OCC ZINC000022076042 182308511 /nfs/dbraw/zinc/30/85/11/182308511.db2.gz IZIXNQWHRBJTAF-KRWDZBQOSA-N 0 3 315.413 3.307 40 0 DGABHN Cc1cc([C@H]2CCCCN2C(C)C)cnc1N1CCOCC1 ZINC000072219361 257124109 /nfs/dbraw/zinc/12/41/09/257124109.db2.gz NSVFESPTSAKIAK-QGZVFWFLSA-N 0 3 303.450 3.162 40 0 DGABHN Cc1nc(I)ccc1[C@@H](N)c1ccccc1 ZINC000072219688 257124359 /nfs/dbraw/zinc/12/43/59/257124359.db2.gz PPFQYBZIWUJUNX-ZDUSSCGKSA-N 0 3 324.165 3.043 40 0 DGABHN COCC[C@H]1CCOC12CCN(Cc1cccc(F)c1)CC2 ZINC000585104283 400125842 /nfs/dbraw/zinc/12/58/42/400125842.db2.gz GREBRLIPQFWZSQ-INIZCTEOSA-N 0 3 307.409 3.233 40 0 DGABHN Cc1cccc(CO[C@@H]2CSC3(CN(CC4CCC4)C3)C2)n1 ZINC000585105348 400126126 /nfs/dbraw/zinc/12/61/26/400126126.db2.gz UTSRXMIHHBQAIJ-KRWDZBQOSA-N 0 3 318.486 3.267 40 0 DGABHN Clc1ccc2c(c1)nc(N1CCNCC1)nc2-c1ccccc1 ZINC000136886004 400592980 /nfs/dbraw/zinc/59/29/80/400592980.db2.gz IFLRYHMXKKMNLJ-UHFFFAOYSA-N 0 3 324.815 3.360 40 0 DGABHN CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2)n1 ZINC000257270201 276897327 /nfs/dbraw/zinc/89/73/27/276897327.db2.gz MTDKAVQFMPELQA-OAHLLOKOSA-N 0 3 300.381 3.163 40 0 DGABHN C[C@@H]1CN([C@@H](CN)c2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000020009113 277911345 /nfs/dbraw/zinc/91/13/45/277911345.db2.gz VWNPDOBODKGLFJ-BREBYQMCSA-N 0 3 303.233 3.102 40 0 DGABHN Cc1cccnc1CN1CCC2(CC(Nc3ncccn3)C2)CC1 ZINC000108527660 431146006 /nfs/dbraw/zinc/14/60/06/431146006.db2.gz YKJWJTZMQZVEHH-UHFFFAOYSA-N 0 3 323.444 3.037 40 0 DGABHN CC(C)C(=O)O[C@H]1c2cc(OCCN(C)C)ccc2C[C@H]1C ZINC000001668198 431235921 /nfs/dbraw/zinc/23/59/21/431235921.db2.gz MZHSSHXKQOTGOQ-CXAGYDPISA-N 0 3 305.418 3.060 40 0 DGABHN C[C@@H](O)c1ccc(-c2ccc(CNC[C@H]3CCCO3)o2)cc1 ZINC000007540910 431354881 /nfs/dbraw/zinc/35/48/81/431354881.db2.gz URMYNGAXHBPSJY-CZUORRHYSA-N 0 3 301.386 3.269 40 0 DGABHN CC[C@H](CN1CCCC1)NC(=O)Cc1coc2cc(C)ccc12 ZINC000012362818 431503750 /nfs/dbraw/zinc/50/37/50/431503750.db2.gz UWIIJQYLHASQPQ-MRXNPFEDSA-N 0 3 314.429 3.274 40 0 DGABHN Cc1ccccc1CN1CCC(O)(c2cccnc2F)CC1 ZINC000013227662 431551404 /nfs/dbraw/zinc/55/14/04/431551404.db2.gz QMFRNRUIJRFUHM-UHFFFAOYSA-N 0 3 300.377 3.013 40 0 DGABHN CC(C)c1ccc(CCC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000036614028 431839152 /nfs/dbraw/zinc/83/91/52/431839152.db2.gz VQTMZYPGFBMIJF-GOSISDBHSA-N 0 3 300.446 3.049 40 0 DGABHN c1ccc(CN2C[C@@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)cc1 ZINC000096042510 431935819 /nfs/dbraw/zinc/93/58/19/431935819.db2.gz XMGSNNIKPYVWIA-AQNXPRMDSA-N 0 3 324.424 3.030 40 0 DGABHN Cc1ccc2c(c1)nc1n2[C@@H](CNCc2ccccc2)COC1 ZINC000096112805 431938732 /nfs/dbraw/zinc/93/87/32/431938732.db2.gz FRKJCFIZGWPNKC-INIZCTEOSA-N 0 3 307.397 3.206 40 0 biogenic,in-vitro DGABHN CCOC[C@H]1COCCC12CCN(Cc1ccsc1)CC2 ZINC000096106387 431939038 /nfs/dbraw/zinc/93/90/38/431939038.db2.gz RVVUWPGITWPXHT-INIZCTEOSA-N 0 3 309.475 3.403 40 0 DGABHN CCO[C@@H]1COC2(C1)CCN(Cc1ccc(C)c(C)c1)CC2 ZINC000096220610 431942120 /nfs/dbraw/zinc/94/21/20/431942120.db2.gz VXFUECPDVJHANP-SFHVURJKSA-N 0 3 303.446 3.463 40 0 DGABHN c1cncc(CN2CCC3(C[C@@H](c4cccnc4)CO3)CC2)c1 ZINC000096220297 431942382 /nfs/dbraw/zinc/94/23/82/431942382.db2.gz WMLXJARNVGMSQI-GOSISDBHSA-N 0 3 309.413 3.015 40 0 DGABHN CCO[C@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241673 431942478 /nfs/dbraw/zinc/94/24/78/431942478.db2.gz ZRJQGKGCUGUYHW-QAPCUYQASA-N 0 3 319.420 3.430 40 0 DGABHN c1cc(CN2CCc3ncnc(-c4ccsc4)c3CC2)co1 ZINC000096255335 431944170 /nfs/dbraw/zinc/94/41/70/431944170.db2.gz UQJNXSPTXYWXSF-UHFFFAOYSA-N 0 3 311.410 3.399 40 0 DGABHN CN(C)C[C@@H]1CN(Cc2cccc3ccccc32)Cc2cncn21 ZINC000248081370 432265371 /nfs/dbraw/zinc/26/53/71/432265371.db2.gz CUNAQEVDGTTZJE-LJQANCHMSA-N 0 3 320.440 3.155 40 0 DGABHN Cc1nc(Nc2cc(C)nc([C@@H]3CCCN(C)C3)n2)sc1C ZINC000257236001 432420086 /nfs/dbraw/zinc/42/00/86/432420086.db2.gz HAKSHNVEUZPTND-CYBMUJFWSA-N 0 3 317.462 3.411 40 0 DGABHN c1cc2cc(C[C@H]3CCCN(Cc4ccccn4)C3)cnc2[nH]1 ZINC000257229247 432420644 /nfs/dbraw/zinc/42/06/44/432420644.db2.gz FXIMSKPXDLLUDD-OAHLLOKOSA-N 0 3 306.413 3.413 40 0 DGABHN CCN(C(C)=O)[C@H]1CN(Cc2cccnc2)C2(C1)CCCCC2 ZINC000257243756 432422647 /nfs/dbraw/zinc/42/26/47/432422647.db2.gz IIKYOQSABPSVMT-GOSISDBHSA-N 0 3 315.461 3.227 40 0 DGABHN CC(=O)NCc1ccc([C@@H]2CCCN2Cc2ccccc2)nc1 ZINC000257243030 432423237 /nfs/dbraw/zinc/42/32/37/432423237.db2.gz IFFWCYVVIHHIMY-IBGZPJMESA-N 0 3 309.413 3.055 40 0 DGABHN CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2)n1 ZINC000257270200 432425649 /nfs/dbraw/zinc/42/56/49/432425649.db2.gz MTDKAVQFMPELQA-HNNXBMFYSA-N 0 3 300.381 3.163 40 0 DGABHN c1ccc(CN(CCN2CCOCC2)Cc2ccccc2)cc1 ZINC000019364706 304854493 /nfs/dbraw/zinc/85/44/93/304854493.db2.gz FEEPJMLQGPOUQI-UHFFFAOYSA-N 0 3 310.441 3.021 40 0 DGABHN COCCN1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 ZINC000072359355 191129813 /nfs/dbraw/zinc/12/98/13/191129813.db2.gz IIPAJTRFMAVVFE-UHFFFAOYSA-N 0 3 315.392 3.109 40 0 DGABHN CN(C)C(=O)c1cccc([C@@H]2CCCN2C2CCCCC2)n1 ZINC000072355750 191130132 /nfs/dbraw/zinc/13/01/32/191130132.db2.gz MWVFLPAISRXEKF-KRWDZBQOSA-N 0 3 301.434 3.253 40 0 DGABHN CCN(CC)CCOC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000004214964 181085555 /nfs/dbraw/zinc/08/55/55/181085555.db2.gz BSRXEULOHCMVFG-UHFFFAOYSA-N 0 3 318.461 3.420 40 0 in-man DGABHN Fc1ccc(CN2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)cc1 ZINC000107731387 432038720 /nfs/dbraw/zinc/03/87/20/432038720.db2.gz XFUMQKSJHUFULB-MSOLQXFVSA-N 0 3 315.392 3.018 40 0 DGABHN CCc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000006168819 181317151 /nfs/dbraw/zinc/31/71/51/181317151.db2.gz KQHXNKOGBMJFGW-LJQANCHMSA-N 0 3 311.425 3.047 40 0 DGABHN C[C@@H](N1CCN(C)CC1)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000019365818 296030984 /nfs/dbraw/zinc/03/09/84/296030984.db2.gz WEMKXTZKYQLYKL-XLIONFOSSA-N 0 3 316.489 3.090 40 0 DGABHN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1 ZINC000013747215 291272361 /nfs/dbraw/zinc/27/23/61/291272361.db2.gz JUKMAYKVHWKRKY-STQMWFEESA-N 0 3 302.201 3.392 40 0 DGABHN CNc1cc(C)nc([C@@H]2CCN(Cc3csc(C)n3)C2)c1 ZINC000257302097 203027179 /nfs/dbraw/zinc/02/71/79/203027179.db2.gz SBNNGSQLXPDMTR-CYBMUJFWSA-N 0 3 302.447 3.186 40 0 DGABHN Cc1c[nH]c([C@H]2CCN(CCCOc3ccccc3F)C2)n1 ZINC000257307669 203032056 /nfs/dbraw/zinc/03/20/56/203032056.db2.gz SZTHSSLLQWEVSI-AWEZNQCLSA-N 0 3 303.381 3.116 40 0 DGABHN Cc1ncc(CN2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)cn1 ZINC000257320452 203045428 /nfs/dbraw/zinc/04/54/28/203045428.db2.gz VWWZDTLWKMJFSE-PMOLBWCYSA-N 0 3 323.440 3.212 40 0 DGABHN Cn1cc(CN2CCC[C@H](c3cnccn3)C2)c2ccccc21 ZINC000257322232 203047982 /nfs/dbraw/zinc/04/79/82/203047982.db2.gz WFCVVTNJFSGPKA-HNNXBMFYSA-N 0 3 306.413 3.348 40 0 DGABHN Cn1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019289493 182112585 /nfs/dbraw/zinc/11/25/85/182112585.db2.gz PMXFPJSMHSGDCN-HNNXBMFYSA-N 0 3 324.403 3.487 40 0 DGABHN CC(C)(C)c1noc([C@H]2CCN(Cc3ccc(F)cc3)C2)n1 ZINC000019084620 182104582 /nfs/dbraw/zinc/10/45/82/182104582.db2.gz LDFRYVYRYLQATE-ZDUSSCGKSA-N 0 3 303.381 3.496 40 0 DGABHN Cc1ccc(CN(CCCn2ccnc2)Cc2cnc[nH]2)s1 ZINC000019217149 182108377 /nfs/dbraw/zinc/10/83/77/182108377.db2.gz WRLCRKLWLQJPLD-UHFFFAOYSA-N 0 3 315.446 3.069 40 0 DGABHN O=C(CC1=NCCN[C@H](c2ccccc2)C1)c1ccccc1O ZINC000100638377 193802439 /nfs/dbraw/zinc/80/24/39/193802439.db2.gz KEQSOUMJJLVRRL-KRWDZBQOSA-N 0 3 308.381 3.141 40 0 DGABHN CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1cccc(C)n1 ZINC000019527160 285283691 /nfs/dbraw/zinc/28/36/91/285283691.db2.gz ZOWGRWZPCTZBBJ-FQEVSTJZSA-N 0 3 324.472 3.272 40 0 DGABHN COCC[C@@H]1CCOC12CCN(Cc1ccc(F)cc1)CC2 ZINC000585102609 400125221 /nfs/dbraw/zinc/12/52/21/400125221.db2.gz CAEJJRKMYFHADR-MRXNPFEDSA-N 0 3 307.409 3.233 40 0 DGABHN CO[C@H]1CCN(Cc2c(C)n[nH]c2C)C[C@H]1Cc1ccccc1 ZINC000585278374 400130207 /nfs/dbraw/zinc/13/02/07/400130207.db2.gz ROVSBHZYWAPIRV-MJGOQNOKSA-N 0 3 313.445 3.106 40 0 DGABHN Cc1ccc(C)c2[nH]c(=O)c(CNC[C@@H](O)c3ccccc3)cc12 ZINC000585293221 400131667 /nfs/dbraw/zinc/13/16/67/400131667.db2.gz SGQWTDFOFACVQP-GOSISDBHSA-N 0 3 322.408 3.380 40 0 DGABHN CC1=C[C@H](C)[C@H]([C@H]2NC(=N)Nc3nc4ccccc4n32)[C@@H](C)C1 ZINC000245237949 401005378 /nfs/dbraw/zinc/00/53/78/401005378.db2.gz MPVKDSOURSACLP-APYUEPQZSA-N 0 3 309.417 3.323 40 0 DGABHN CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2)n1 ZINC000257240130 276897272 /nfs/dbraw/zinc/89/72/72/276897272.db2.gz HSDYRUQDLJCIJP-OAHLLOKOSA-N 0 3 300.381 3.163 40 0 DGABHN CC[C@@H](CO)NCc1cccc(OC)c1OCc1ccccc1 ZINC000008326393 431393983 /nfs/dbraw/zinc/39/39/83/431393983.db2.gz DHOBTIHPTGHNRS-KRWDZBQOSA-N 0 3 315.413 3.135 40 0 DGABHN CN1CCC[C@H](CNC(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000009876414 431447724 /nfs/dbraw/zinc/44/77/24/431447724.db2.gz JENDQUDNNUZUJU-SNVBAGLBSA-N 0 3 315.845 3.107 40 0 DGABHN CCc1ccc(CCC(=O)NCCN2CCCCCC2)cc1 ZINC000010325036 431460930 /nfs/dbraw/zinc/46/09/30/431460930.db2.gz KVVCZLHMHPMTJO-UHFFFAOYSA-N 0 3 302.462 3.174 40 0 DGABHN Cc1ccc(CN2Cc3ccccc3O[C@H](CN(C)C)C2)s1 ZINC000019217267 431620291 /nfs/dbraw/zinc/62/02/91/431620291.db2.gz UKDQIXUBWZPZHY-MRXNPFEDSA-N 0 3 316.470 3.381 40 0 DGABHN c1csc(-c2n[nH]cc2CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000121204614 431753253 /nfs/dbraw/zinc/75/32/53/431753253.db2.gz PJJFSXWVZJEKPW-GFCCVEGCSA-N 0 3 313.430 3.241 40 0 DGABHN Clc1cccc(Cl)c1N(C1=NCCN1)[C@@H]1CCCCO1 ZINC000031297748 431755832 /nfs/dbraw/zinc/75/58/32/431755832.db2.gz NYQGJEQCYOJBPV-LBPRGKRZSA-N 0 3 314.216 3.286 40 0 in-man DGABHN COc1cc(CNC[C@@H]2CCCO2)ccc1OC1CCCC1 ZINC000032202088 431774666 /nfs/dbraw/zinc/77/46/66/431774666.db2.gz DXTAZDHFELFANZ-INIZCTEOSA-N 0 3 305.418 3.285 40 0 DGABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000037817583 431850939 /nfs/dbraw/zinc/85/09/39/431850939.db2.gz RTEHEZBDECOBGP-AWEZNQCLSA-N 0 3 315.244 3.468 40 0 DGABHN N[C@@H](c1n[nH]c(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 ZINC000095533924 431926704 /nfs/dbraw/zinc/92/67/04/431926704.db2.gz DBGMEVUYWDGVPN-CYBMUJFWSA-N 0 3 302.740 3.312 40 0 DGABHN CCN1C(=O)CC[C@@]12CCCN(Cc1ccc(OC)cc1)CC2 ZINC000096047502 431935336 /nfs/dbraw/zinc/93/53/36/431935336.db2.gz PIWSGRUGPRICNF-LJQANCHMSA-N 0 3 316.445 3.062 40 0 DGABHN Cc1ccc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)o1 ZINC000096056412 431936227 /nfs/dbraw/zinc/93/62/27/431936227.db2.gz MQPCQSXKHGDXIW-KZNAEPCWSA-N 0 3 305.418 3.137 40 0 DGABHN Fc1ccc(-c2ncnc3c2CCN(Cc2ccco2)CC3)cc1 ZINC000096058696 431936906 /nfs/dbraw/zinc/93/69/06/431936906.db2.gz SLCSMOPOOVVPNY-UHFFFAOYSA-N 0 3 323.371 3.477 40 0 DGABHN CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccc(OC)cc1)C2 ZINC000096056800 431936959 /nfs/dbraw/zinc/93/69/59/431936959.db2.gz HGJXULPVWFKQRR-RTBURBONSA-N 0 3 319.445 3.103 40 0 DGABHN O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(Cc1ccco1)C2 ZINC000096100314 431937641 /nfs/dbraw/zinc/93/76/41/431937641.db2.gz WIJYZUKIJMIWGV-FQEVSTJZSA-N 0 3 322.408 3.180 40 0 DGABHN c1ccc(O[C@@H]2COC3(C2)CCN(Cc2ccccn2)CC3)cc1 ZINC000096073189 431938116 /nfs/dbraw/zinc/93/81/16/431938116.db2.gz CPIPEMMBHWFQAW-IBGZPJMESA-N 0 3 324.424 3.284 40 0 DGABHN c1csc(CN2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c1 ZINC000096107245 431938460 /nfs/dbraw/zinc/93/84/60/431938460.db2.gz HTDNSBDZVMJHSC-WBVHZDCISA-N 0 3 307.459 3.298 40 0 DGABHN CCOC[C@H]1COCCC12CCN(Cc1cccs1)CC2 ZINC000096106385 431938651 /nfs/dbraw/zinc/93/86/51/431938651.db2.gz XTXDRHDQIXZYLZ-HNNXBMFYSA-N 0 3 309.475 3.403 40 0 DGABHN COC[C@@H]1COCCC12CCN(Cc1ccccc1F)CC2 ZINC000096106314 431939211 /nfs/dbraw/zinc/93/92/11/431939211.db2.gz QWQSPCGYEGBALI-MRXNPFEDSA-N 0 3 307.409 3.091 40 0 DGABHN O=C1CC[C@@]2(CCCN(Cc3ccoc3)CC2)N1CC1CC1 ZINC000096217931 431942359 /nfs/dbraw/zinc/94/23/59/431942359.db2.gz IYTFSWPVZVUGND-GOSISDBHSA-N 0 3 302.418 3.037 40 0 DGABHN c1cc(CN2CCc3ncnc(-c4cccnc4)c3CC2)cs1 ZINC000096255308 431943740 /nfs/dbraw/zinc/94/37/40/431943740.db2.gz ISMJBOWBIIPNFD-UHFFFAOYSA-N 0 3 322.437 3.201 40 0 DGABHN CN1CC2(CCN(Cc3cccnc3)CC2)c2cccc(F)c21 ZINC000096261777 431944026 /nfs/dbraw/zinc/94/40/26/431944026.db2.gz ZJUYNVWTVHAINT-UHFFFAOYSA-N 0 3 311.404 3.204 40 0 DGABHN CCCCc1nc(CN2CCC[C@H](Cc3n[nH]cc3C)C2)c[nH]1 ZINC000257248280 432422554 /nfs/dbraw/zinc/42/25/54/432422554.db2.gz JCXXSRYKNSZKKX-OAHLLOKOSA-N 0 3 315.465 3.239 40 0 DGABHN CCCCc1ncc(CN2CCC[C@H](Cc3n[nH]cc3C)C2)[nH]1 ZINC000257248280 432422556 /nfs/dbraw/zinc/42/25/56/432422556.db2.gz JCXXSRYKNSZKKX-OAHLLOKOSA-N 0 3 315.465 3.239 40 0 DGABHN c1ccc2c(CN3CCC(c4cnccn4)CC3)ccnc2c1 ZINC000257255468 432422659 /nfs/dbraw/zinc/42/26/59/432422659.db2.gz KHPFTRMUNIHQHL-UHFFFAOYSA-N 0 3 304.397 3.404 40 0 DGABHN c1[nH]nc(-c2ccccc2)c1CN1CCC[C@H](c2ccncn2)C1 ZINC000257239876 432422821 /nfs/dbraw/zinc/42/28/21/432422821.db2.gz HRERDMDWGFNDGW-INIZCTEOSA-N 0 3 319.412 3.246 40 0 DGABHN CN(CCc1ccccc1)Cc1ccnc([C@@]2(C)CCCO2)n1 ZINC000257258807 432424195 /nfs/dbraw/zinc/42/41/95/432424195.db2.gz KVPPFZXIEQIPTK-LJQANCHMSA-N 0 3 311.429 3.177 40 0 DGABHN CN(CCc1ccccc1)Cc1ccnc([C@]2(C)CCCO2)n1 ZINC000257258806 432424227 /nfs/dbraw/zinc/42/42/27/432424227.db2.gz KVPPFZXIEQIPTK-IBGZPJMESA-N 0 3 311.429 3.177 40 0 DGABHN Fc1ccc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389902 191147646 /nfs/dbraw/zinc/14/76/46/191147646.db2.gz YGJZQWOLNDWXFI-OAHLLOKOSA-N 0 3 324.359 3.260 40 0 DGABHN Cc1noc(C)c1CN1CC[C@@H]2OCCC[C@@]2(COC(C)C)C1 ZINC000107712808 432036781 /nfs/dbraw/zinc/03/67/81/432036781.db2.gz YIFJLDWXQHYNLK-ROUUACIJSA-N 0 3 322.449 3.088 40 0 DGABHN CCN(CC)CCn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000005311548 181228513 /nfs/dbraw/zinc/22/85/13/181228513.db2.gz LSCJLRADBVRRPE-UHFFFAOYSA-N 0 3 321.424 3.405 40 0 DGABHN CCN1CC[C@@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 ZINC000257276282 203004747 /nfs/dbraw/zinc/00/47/47/203004747.db2.gz NTCJVWFUVOWCJK-GFCCVEGCSA-N 0 3 303.435 3.103 40 0 DGABHN CNc1nc([C@@H]2CCCN(Cc3cccnc3)C2)cn2cccc12 ZINC000257308426 203032379 /nfs/dbraw/zinc/03/23/79/203032379.db2.gz TWQWVMIWOGSXQM-MRXNPFEDSA-N 0 3 321.428 3.151 40 0 DGABHN CCc1nc(C)c(CN2CCC[C@H](c3ccnc(NC)c3)C2)[nH]1 ZINC000257329397 203053787 /nfs/dbraw/zinc/05/37/87/203053787.db2.gz XJVHALPHGWBKLC-HNNXBMFYSA-N 0 3 313.449 3.097 40 0 DGABHN CCCCn1cc(CN2CC[C@H](c3nc(C)c[nH]3)C2)c(C)n1 ZINC000257319568 203042971 /nfs/dbraw/zinc/04/29/71/203042971.db2.gz VTBLYJZVZMNPQI-HNNXBMFYSA-N 0 3 301.438 3.013 40 0 DGABHN CCC(=O)c1ccc(OC[C@@H](O)CN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000016739465 182059579 /nfs/dbraw/zinc/05/95/79/182059579.db2.gz WKLGIIULCGMLEB-UXLLHSPISA-N 0 3 319.445 3.282 40 0 DGABHN CN(CCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000019366773 182118993 /nfs/dbraw/zinc/11/89/93/182118993.db2.gz GKJPZQVNEAGACD-UHFFFAOYSA-N 0 3 310.441 3.040 40 0 DGABHN O=c1cc([C@@H]2CCCC[N@@H+]2C2CCCC2)nc(-c2ccncc2)[n-]1 ZINC000019405819 182121715 /nfs/dbraw/zinc/12/17/15/182121715.db2.gz LURMFGAJCMKYGX-KRWDZBQOSA-N 0 3 324.428 3.302 40 0 DGABHN O=c1cc([C@@H]2CCCC[N@H+]2C2CCCC2)nc(-c2ccncc2)[n-]1 ZINC000019405819 182121716 /nfs/dbraw/zinc/12/17/16/182121716.db2.gz LURMFGAJCMKYGX-KRWDZBQOSA-N 0 3 324.428 3.302 40 0 DGABHN CCn1ncc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1C ZINC000019523945 182127940 /nfs/dbraw/zinc/12/79/40/182127940.db2.gz MGGUYLHHPTYYJR-INIZCTEOSA-N 0 3 323.444 3.467 40 0 DGABHN CCOc1ccccc1CN(CCN(C)C)Cc1ccncc1 ZINC000022913747 182339681 /nfs/dbraw/zinc/33/96/81/182339681.db2.gz QSAZBLVPBXSLSJ-UHFFFAOYSA-N 0 3 313.445 3.044 40 0 DGABHN CN(C)CCN(Cc1ccncc1)Cc1ccc2ncccc2c1 ZINC000022913792 182340408 /nfs/dbraw/zinc/34/04/08/182340408.db2.gz FROBABWYGCAWAL-UHFFFAOYSA-N 0 3 320.440 3.194 40 0 DGABHN CN(CCN1CCCCC1)Cc1cnn(C2CCCCC2)c1 ZINC000022916154 182340710 /nfs/dbraw/zinc/34/07/10/182340710.db2.gz UXGNIRJIJDSCKS-UHFFFAOYSA-N 0 3 304.482 3.306 40 0 DGABHN CN(C)Cc1ccccc1CNC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000024084457 182375079 /nfs/dbraw/zinc/37/50/79/182375079.db2.gz MNJSXVUTJGKXPU-HDMKZQKVSA-N 0 3 300.446 3.191 40 0 DGABHN Cc1ccc(CN2Cc3cc(C)ccc3OC[C@H]2CN(C)C)o1 ZINC000072395299 292102780 /nfs/dbraw/zinc/10/27/80/292102780.db2.gz CHUXXSNEGXKJEH-QGZVFWFLSA-N 0 3 314.429 3.221 40 0 DGABHN c1coc(CN2CCC3(CC2)OCC[C@H]3CCOCC2CC2)c1 ZINC000585105191 400126174 /nfs/dbraw/zinc/12/61/74/400126174.db2.gz PUSPZYFPGUQSSX-QGZVFWFLSA-N 0 3 319.445 3.467 40 0 DGABHN CC(C)OCCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010371457 400134399 /nfs/dbraw/zinc/13/43/99/400134399.db2.gz YSGAHOBRRIOEDF-UHFFFAOYSA-N 0 3 318.461 3.217 40 0 DGABHN CC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028221060 400287373 /nfs/dbraw/zinc/28/73/73/400287373.db2.gz OHEIXLBMIIKYCY-HIFRSBDPSA-N 0 3 308.853 3.467 40 0 DGABHN C[C@H]1CN([C@@H](CN)c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000036108194 400388753 /nfs/dbraw/zinc/38/87/53/400388753.db2.gz SUZPBBSUTBAACQ-BHDSKKPTSA-N 0 3 303.233 3.102 40 0 DGABHN CC(C)C1(C)CCN(Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000352973792 265252010 /nfs/dbraw/zinc/25/20/10/265252010.db2.gz BOZYHBVBMBMUBL-UHFFFAOYSA-N 0 3 302.418 3.390 40 0 DGABHN CCOC(=O)Nc1nc2ccccc2n1CN1CCCCC1 ZINC000013212257 424677732 /nfs/dbraw/zinc/67/77/32/424677732.db2.gz RFGFBWWAWKBMDP-UHFFFAOYSA-N 0 3 302.378 3.048 40 0 DGABHN c1cc(CN2CCC[C@@]3(CCCN3Cc3ccncc3)C2)co1 ZINC000096214915 275064180 /nfs/dbraw/zinc/06/41/80/275064180.db2.gz BKWKSEVTCGYGBF-LJQANCHMSA-N 0 3 311.429 3.305 40 0 DGABHN CC(C)(C)OC(=O)NC[C@H](N)c1ccccc1C(F)(F)F ZINC000019796177 277200401 /nfs/dbraw/zinc/20/04/01/277200401.db2.gz FDHWWVABOPXSGH-NSHDSACASA-N 0 3 304.312 3.230 40 0 DGABHN CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](N)C1 ZINC000071790652 431286244 /nfs/dbraw/zinc/28/62/44/431286244.db2.gz SHDNLRJVAIEXBN-SMDDNHRTSA-N 0 3 312.360 3.017 40 0 DGABHN c1ccc(-c2ccc(-c3ccc(N4CCNCC4)nn3)cc2)cc1 ZINC000071976792 431322181 /nfs/dbraw/zinc/32/21/81/431322181.db2.gz CZXRDIZOCLYJCP-UHFFFAOYSA-N 0 3 316.408 3.220 40 0 DGABHN CCNCc1cc(Br)cc(Br)c1OC ZINC000008227197 431387055 /nfs/dbraw/zinc/38/70/55/431387055.db2.gz QBNQIKQVOAZRFJ-UHFFFAOYSA-N 0 3 323.028 3.330 40 0 DGABHN CCc1cccc2cc(CNCc3ccc(OC)cc3)c(=O)[nH]c21 ZINC000013566698 431560031 /nfs/dbraw/zinc/56/00/31/431560031.db2.gz MARCSMPBYOCLHI-UHFFFAOYSA-N 0 3 322.408 3.389 40 0 DGABHN COc1cc(CNC[C@H]2CCCO2)ccc1OC1CCCC1 ZINC000032202092 431774484 /nfs/dbraw/zinc/77/44/84/431774484.db2.gz DXTAZDHFELFANZ-MRXNPFEDSA-N 0 3 305.418 3.285 40 0 DGABHN Cc1ccsc1CN1CC[C@H]2O[C@@H](c3nnc(C)o3)CC[C@H]21 ZINC000097953621 431975048 /nfs/dbraw/zinc/97/50/48/431975048.db2.gz NAOIZLFJJHBBIO-MGPQQGTHSA-N 0 3 319.430 3.243 40 0 DGABHN c1coc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)c1 ZINC000096039799 431935805 /nfs/dbraw/zinc/93/58/05/431935805.db2.gz AXHWVVFYWPBOKW-ZWKOTPCHSA-N 0 3 305.418 3.077 40 0 DGABHN c1cc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)co1 ZINC000096039801 431935874 /nfs/dbraw/zinc/93/58/74/431935874.db2.gz IIGWTLYDUWSVMC-ZWKOTPCHSA-N 0 3 305.418 3.077 40 0 DGABHN CC(C)CN1c2ccccc2[C@@]2(CCN(Cc3ccco3)C2)C1=O ZINC000096100293 431938064 /nfs/dbraw/zinc/93/80/64/431938064.db2.gz BIXZCABVYXZFFJ-FQEVSTJZSA-N 0 3 324.424 3.426 40 0 DGABHN c1coc(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)c1 ZINC000096106452 431938482 /nfs/dbraw/zinc/93/84/82/431938482.db2.gz KSTYHTLGGVRPLJ-QGZVFWFLSA-N 0 3 319.445 3.325 40 0 DGABHN Fc1ccc2c(c1)nc1n2[C@@H](CNCc2ccccc2)COC1 ZINC000096112718 431939085 /nfs/dbraw/zinc/93/90/85/431939085.db2.gz UWGYMCKOVJRSLM-HNNXBMFYSA-N 0 3 311.360 3.037 40 0 biogenic,in-vitro DGABHN O=C(C1CCCCC1)N1CCC2(CC1)CNCc1ccccc12 ZINC000096156922 431940491 /nfs/dbraw/zinc/94/04/91/431940491.db2.gz MLHAWVYSIOKTFK-UHFFFAOYSA-N 0 3 312.457 3.230 40 0 DGABHN CC(C)CN1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC000096189519 431941530 /nfs/dbraw/zinc/94/15/30/431941530.db2.gz CGYNZIZOMWYCSI-UHFFFAOYSA-N 0 3 313.445 3.321 40 0 DGABHN CCC(CC)CN1CCc2nc(N3CCCC3)nc(C)c2C1 ZINC000096253855 431943424 /nfs/dbraw/zinc/94/34/24/431943424.db2.gz DJAPCRUAYAQFQE-UHFFFAOYSA-N 0 3 302.466 3.180 40 0 DGABHN Cc1ccc(CN2CCO[C@H]3CN(CC4CCCCC4)C[C@H]32)o1 ZINC000096248809 431943496 /nfs/dbraw/zinc/94/34/96/431943496.db2.gz DEYNHGGMZCKUOP-MOPGFXCFSA-N 0 3 318.461 3.053 40 0 DGABHN c1csc(CN2CCc3ncnc(-c4cccnc4)c3CC2)c1 ZINC000096255307 431943636 /nfs/dbraw/zinc/94/36/36/431943636.db2.gz FJBUETHQHGCUCG-UHFFFAOYSA-N 0 3 322.437 3.201 40 0 DGABHN Cc1cc2nccc(C3CCN(Cc4cccc(C)n4)CC3)n2n1 ZINC000257216720 432418347 /nfs/dbraw/zinc/41/83/47/432418347.db2.gz CVVFZGKJKDQKNE-UHFFFAOYSA-N 0 3 321.428 3.121 40 0 DGABHN c1[nH]nc(-c2ccccc2)c1CN1CCC[C@@H](c2ccncn2)C1 ZINC000257239877 432422135 /nfs/dbraw/zinc/42/21/35/432422135.db2.gz HRERDMDWGFNDGW-MRXNPFEDSA-N 0 3 319.412 3.246 40 0 DGABHN c1ccc(N2CCCC2)c(CN2CCC[C@H](c3cnccn3)C2)c1 ZINC000257248848 432423017 /nfs/dbraw/zinc/42/30/17/432423017.db2.gz JFMSYOCOTBTENN-KRWDZBQOSA-N 0 3 322.456 3.456 40 0 DGABHN CO[C@H]1CN(Cc2ccnc3ccccc23)CC[C@@]12CCCO2 ZINC000257256279 432423207 /nfs/dbraw/zinc/42/32/07/432423207.db2.gz KKUNSQHUGVMACG-OALUTQOASA-N 0 3 312.413 3.005 40 0 DGABHN c1ccc(Oc2cccc3c(N4CCNCC4)ccnc23)cc1 ZINC000225321870 432688454 /nfs/dbraw/zinc/68/84/54/432688454.db2.gz TZUKTXMXMNPREN-UHFFFAOYSA-N 0 3 305.381 3.437 40 0 DGABHN CCNc1cc(N2CCc3cc(Cl)ccc3C2)nc(C)n1 ZINC000329043682 434350818 /nfs/dbraw/zinc/35/08/18/434350818.db2.gz SUCZKEAABIVNHW-UHFFFAOYSA-N 0 3 302.809 3.433 40 0 DGABHN O=C1CC[C@]2(CCCN(Cc3cccc(F)c3)CC2)N1CCF ZINC000585100261 547024575 /nfs/dbraw/zinc/02/45/75/547024575.db2.gz JDDNHNMYXSBGJQ-SFHVURJKSA-N 0 3 322.399 3.142 40 0 DGABHN COc1ccc(C)cc1[C@H](C)NC(=O)[C@H](N)CC1CCCCC1 ZINC000261853172 657139332 /nfs/dbraw/zinc/13/93/32/657139332.db2.gz JRVAJMLWXOTGEG-WMLDXEAASA-N 0 3 318.461 3.479 40 0 DGABHN CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225606218 186282827 /nfs/dbraw/zinc/28/28/27/186282827.db2.gz ZBOIYEIJHXGVPV-SFHVURJKSA-N 0 3 322.449 3.017 40 0 DGABHN COCCN1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358495 191130757 /nfs/dbraw/zinc/13/07/57/191130757.db2.gz AQVJPMDTEBXMHK-AWEZNQCLSA-N 0 3 315.392 3.109 40 0 DGABHN Cn1cc(CN2CC[C@@H](Cc3cnc4ccccc4c3)C2)cn1 ZINC000072368001 191136597 /nfs/dbraw/zinc/13/65/97/191136597.db2.gz KIEFWYOWKACWRZ-HNNXBMFYSA-N 0 3 306.413 3.033 40 0 DGABHN Cc1ccc(-c2noc([C@@H]3CCN(Cc4cccnc4)C3)n2)cc1 ZINC000072369981 191140093 /nfs/dbraw/zinc/14/00/93/191140093.db2.gz ASGGXSIOFWYGLZ-QGZVFWFLSA-N 0 3 320.396 3.430 40 0 DGABHN CCOC(=O)[N-]c1[o+]nn(-c2ccccc2)c1-c1ccccc1 ZINC000006403192 181338129 /nfs/dbraw/zinc/33/81/29/181338129.db2.gz PMGNKYHPWFUPNW-UHFFFAOYSA-O 0 3 310.333 3.187 40 0 DGABHN CC(C)Oc1ccc([C@@H]2CNCCN2Cc2cscn2)cc1 ZINC000257287521 203014073 /nfs/dbraw/zinc/01/40/73/203014073.db2.gz PQHZAWUJYBKEAD-KRWDZBQOSA-N 0 3 317.458 3.077 40 0 DGABHN Cc1cn(C)c([C@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 ZINC000257294686 203018183 /nfs/dbraw/zinc/01/81/83/203018183.db2.gz QVGZCZLBYUPWNI-SFHVURJKSA-N 0 3 323.440 3.384 40 0 DGABHN CNc1cc([C@@H]2CCCN(Cc3ccnn3C(C)C)C2)ccn1 ZINC000257329115 203052922 /nfs/dbraw/zinc/05/29/22/203052922.db2.gz XINMLWWGURRGPB-MRXNPFEDSA-N 0 3 313.449 3.280 40 0 DGABHN Cc1c(CN2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)cnn1C ZINC000257330119 203053028 /nfs/dbraw/zinc/05/30/28/203053028.db2.gz XMXUXSLGMHCXGH-MNZLEMJZSA-N 0 3 311.429 3.018 40 0 DGABHN Cc1ccnc([C@@H]2CCN(Cc3ccccc3N3CCCC3)C2)n1 ZINC000257316467 203040783 /nfs/dbraw/zinc/04/07/83/203040783.db2.gz VFTCQWSQHMEZGM-GOSISDBHSA-N 0 3 322.456 3.375 40 0 DGABHN CN1CCN(Cc2c3cccnc3[nH]c2-c2ccc(F)cc2)CC1 ZINC000019590055 182131960 /nfs/dbraw/zinc/13/19/60/182131960.db2.gz UIPCPJZBXRXMOJ-UHFFFAOYSA-N 0 3 324.403 3.116 40 0 DGABHN CCn1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c(C)n1 ZINC000019524540 182128217 /nfs/dbraw/zinc/12/82/17/182128217.db2.gz IXTHEGPMHCWFGN-MRXNPFEDSA-N 0 3 323.444 3.467 40 0 DGABHN CN(C)C[C@@H]1CN(Cc2ccccc2F)Cc2ccccc2O1 ZINC000019582088 182132583 /nfs/dbraw/zinc/13/25/83/182132583.db2.gz HCGIVETWDNALSU-QGZVFWFLSA-N 0 3 314.404 3.151 40 0 DGABHN COc1ccc(-c2cn3c4c(n(C(C)C)c3n2)CCNC4)cc1 ZINC000306125832 277396773 /nfs/dbraw/zinc/39/67/73/277396773.db2.gz DDEPQKGPHXISGM-UHFFFAOYSA-N 0 3 310.401 3.038 40 0 DGABHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccccc2)C1 ZINC000068593194 431134589 /nfs/dbraw/zinc/13/45/89/431134589.db2.gz XCMHWWZDAXHISG-HOCLYGCPSA-N 0 3 304.434 3.422 40 0 DGABHN CC(C)C(=O)O[C@@H]1c2cc(OCCN(C)C)ccc2C[C@H]1C ZINC000001668196 431235038 /nfs/dbraw/zinc/23/50/38/431235038.db2.gz MZHSSHXKQOTGOQ-DYVFJYSZSA-N 0 3 305.418 3.060 40 0 DGABHN CCCCCOC(=O)c1ccc(NC(=O)CNCC(C)C)cc1 ZINC000001671702 431236567 /nfs/dbraw/zinc/23/65/67/431236567.db2.gz CNSQTDGGVLBSEV-UHFFFAOYSA-N 0 3 320.433 3.218 40 0 DGABHN CC(C)N1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000072352559 431337578 /nfs/dbraw/zinc/33/75/78/431337578.db2.gz WVOFRTHJJPNJRE-GFCCVEGCSA-N 0 3 317.458 3.196 40 0 DGABHN C/C=C1/CN2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(O)cc21 ZINC000008627617 431402342 /nfs/dbraw/zinc/40/23/42/431402342.db2.gz VBKQRUUVDAWDIP-CLKJAKIKSA-N 0 3 310.397 3.014 40 0 DGABHN Cc1ccc(NC(=S)NC[C@H]2CCCN(C)C2)c(Cl)c1 ZINC000009876218 431448147 /nfs/dbraw/zinc/44/81/47/431448147.db2.gz QAUCCRUIZWRLFG-GFCCVEGCSA-N 0 3 311.882 3.277 40 0 DGABHN CCCCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039742408 431855935 /nfs/dbraw/zinc/85/59/35/431855935.db2.gz QKYKOQUYIIJFFU-UHFFFAOYSA-N 0 3 306.425 3.344 40 0 DGABHN CC(C)CCNCC(=O)Nc1ccccc1N1CCCCC1 ZINC000035311477 431829963 /nfs/dbraw/zinc/82/99/63/431829963.db2.gz RIDVWJLZUXZDJF-UHFFFAOYSA-N 0 3 303.450 3.251 40 0 DGABHN Cc1noc(C)c1CN1CC[C@H]2OCCC[C@]2(COC(C)C)C1 ZINC000096040502 431935111 /nfs/dbraw/zinc/93/51/11/431935111.db2.gz YIFJLDWXQHYNLK-QZTJIDSGSA-N 0 3 322.449 3.088 40 0 DGABHN c1cc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cs1 ZINC000096047147 431935783 /nfs/dbraw/zinc/93/57/83/431935783.db2.gz ISJDMJSFPDIIIW-QGZVFWFLSA-N 0 3 314.458 3.031 40 0 DGABHN Cc1ccc(CN2CCc3ncnc(OC(C)C)c3CC2)s1 ZINC000096058782 431936652 /nfs/dbraw/zinc/93/66/52/431936652.db2.gz RFDQUDCOECFRGS-UHFFFAOYSA-N 0 3 317.458 3.235 40 0 DGABHN c1cc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cs1 ZINC000096056409 431936674 /nfs/dbraw/zinc/93/66/74/431936674.db2.gz CGGBXZIQKJDGQZ-BRWVUGGUSA-N 0 3 307.459 3.297 40 0 DGABHN CCOC[C@@H]1COCCC12CCN(Cc1cccs1)CC2 ZINC000096106384 431938821 /nfs/dbraw/zinc/93/88/21/431938821.db2.gz XTXDRHDQIXZYLZ-OAHLLOKOSA-N 0 3 309.475 3.403 40 0 DGABHN COc1ccc(C[C@H]2CN(Cc3ccoc3)CC[C@@H]2OC)cc1 ZINC000096110546 431939258 /nfs/dbraw/zinc/93/92/58/431939258.db2.gz NREKRLKYPKSBJZ-HKUYNNGSSA-N 0 3 315.413 3.368 40 0 DGABHN c1cncc(CN2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000096206264 431942669 /nfs/dbraw/zinc/94/26/69/431942669.db2.gz BEIMRGDGEHUNEK-UXHICEINSA-N 0 3 323.440 3.296 40 0 DGABHN c1coc(CN2CCC3(C[C@H](OCC4CCC4)CO3)CC2)c1 ZINC000096207062 431942775 /nfs/dbraw/zinc/94/27/75/431942775.db2.gz QFJNBRDTAJTAAW-KRWDZBQOSA-N 0 3 305.418 3.220 40 0 DGABHN c1cc(CN2CCC3(C[C@@H](Oc4ccccc4)CO3)CC2)co1 ZINC000096221804 431943180 /nfs/dbraw/zinc/94/31/80/431943180.db2.gz MBAAOHOKCCPJOF-GOSISDBHSA-N 0 3 313.397 3.482 40 0 DGABHN O=C1CC[C@]2(CCCN(Cc3ccoc3)CC2)N1CC1CC1 ZINC000096217933 431943227 /nfs/dbraw/zinc/94/32/27/431943227.db2.gz IYTFSWPVZVUGND-SFHVURJKSA-N 0 3 302.418 3.037 40 0 DGABHN Cc1cccc(CN2CCc3ncnc(-c4ccoc4)c3CC2)n1 ZINC000096255161 281217816 /nfs/dbraw/zinc/21/78/16/281217816.db2.gz JKAVLBMLFPJZSO-UHFFFAOYSA-N 0 3 320.396 3.041 40 0 DGABHN Cc1ccc(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000153837240 432448410 /nfs/dbraw/zinc/44/84/10/432448410.db2.gz SPFCJUDIGXHEJN-INIZCTEOSA-N 0 3 302.462 3.368 40 0 DGABHN CCCCc1ncc(CN2CCC[C@@H](c3ccnc(C)n3)C2)[nH]1 ZINC000257257664 432422635 /nfs/dbraw/zinc/42/26/35/432422635.db2.gz KQPPDPXPWGXPFY-OAHLLOKOSA-N 0 3 313.449 3.230 40 0 DGABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3ccsc3)C2)n1 ZINC000257244974 432422866 /nfs/dbraw/zinc/42/28/66/432422866.db2.gz INOJOSKZIXXDJM-ZDUSSCGKSA-N 0 3 315.442 3.147 40 0 DGABHN Cc1nc(Nc2nccs2)cc([C@@H]2CCN(C(C)C)C2)n1 ZINC000257250630 432423139 /nfs/dbraw/zinc/42/31/39/432423139.db2.gz JNJCEOVOFGZEFW-GFCCVEGCSA-N 0 3 303.435 3.183 40 0 DGABHN Cc1c(CN2CCC(Cc3cnc4[nH]ccc4c3)CC2)cnn1C ZINC000257264391 432423799 /nfs/dbraw/zinc/42/37/99/432423799.db2.gz LUDSCLMMJMDYRJ-UHFFFAOYSA-N 0 3 323.444 3.060 40 0 DGABHN Cc1ccc(C(=O)NCCN2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC000225003027 432684873 /nfs/dbraw/zinc/68/48/73/432684873.db2.gz RYOGOAXTUGAWAZ-OKILXGFUSA-N 0 3 308.853 3.356 40 0 DGABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CC2)CC1 ZINC000100750189 282251806 /nfs/dbraw/zinc/25/18/06/282251806.db2.gz MTCCMEDODPNOBJ-DAYGRLMNSA-N 0 3 315.461 3.017 40 0 DGABHN C[C@@H](O)CNCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008535095 190632059 /nfs/dbraw/zinc/63/20/59/190632059.db2.gz WSBRWFWCLXFYIV-CYBMUJFWSA-N 0 3 305.805 3.389 40 0 DGABHN C[C@H]1CN2CCC[C@H]2CN1Cc1ccc(Br)s1 ZINC000072324499 191123544 /nfs/dbraw/zinc/12/35/44/191123544.db2.gz DHYMOBDSLLFTKQ-QWRGUYRKSA-N 0 3 315.280 3.179 40 0 DGABHN Cn1cc(CN2CC[C@H](Cc3ccc4ncccc4c3)C2)cn1 ZINC000072368002 191137270 /nfs/dbraw/zinc/13/72/70/191137270.db2.gz GFBBLBNPRYJLGH-MRXNPFEDSA-N 0 3 306.413 3.033 40 0 DGABHN CC(C)N1CCC[C@H](c2cc(C(F)(F)F)nc3nccn32)C1 ZINC000072367731 191137570 /nfs/dbraw/zinc/13/75/70/191137570.db2.gz HRSKUXJPFMWQGC-NSHDSACASA-N 0 3 312.339 3.336 40 0 DGABHN Cn1cc(CN2CC[C@H](Cc3cccc4cccnc43)C2)cn1 ZINC000072368004 191137598 /nfs/dbraw/zinc/13/75/98/191137598.db2.gz YUIUWTITHFEOKP-OAHLLOKOSA-N 0 3 306.413 3.033 40 0 DGABHN Cc1cccnc1Nc1cncc([C@H]2CCCN2CC2CC2)n1 ZINC000072376296 191139760 /nfs/dbraw/zinc/13/97/60/191139760.db2.gz SGAQDXHPPYBQQI-MRXNPFEDSA-N 0 3 309.417 3.471 40 0 DGABHN CN(C(=O)c1cc([C@@H]2CCCN(C)C2)ccn1)C1CCCCC1 ZINC000072387122 191145071 /nfs/dbraw/zinc/14/50/71/191145071.db2.gz POJXOKGUCXFOIB-MRXNPFEDSA-N 0 3 315.461 3.296 40 0 DGABHN COc1cccc(C(=O)Nc2ccc3nc(C)cc(N)c3c2)c1 ZINC000072414097 191155441 /nfs/dbraw/zinc/15/54/41/191155441.db2.gz NYCIPDBDRKTVRS-UHFFFAOYSA-N 0 3 307.353 3.386 40 0 DGABHN COc1ccc(CNCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000004160543 181079690 /nfs/dbraw/zinc/07/96/90/181079690.db2.gz HBAZNCNFRQBRTR-UHFFFAOYSA-N 0 3 322.408 3.443 40 0 DGABHN CCN(CC)C(=O)[C@H]1CCCCN1Cc1c[nH]c2ccccc12 ZINC000004777919 181151125 /nfs/dbraw/zinc/15/11/25/181151125.db2.gz DMMAXFGKSUUAIY-GOSISDBHSA-N 0 3 313.445 3.391 40 0 DGABHN CCCCNCC(=O)Nc1ccccc1N1CCCCCC1 ZINC000004895896 181169164 /nfs/dbraw/zinc/16/91/64/181169164.db2.gz NXBJRHIYJQOGFZ-UHFFFAOYSA-N 0 3 303.450 3.395 40 0 DGABHN CCn1nccc1-c1cc(C)nc([C@@H]2CCCN(C(C)C)C2)n1 ZINC000257278502 203005387 /nfs/dbraw/zinc/00/53/87/203005387.db2.gz OCMNUCYQEIVRFK-OAHLLOKOSA-N 0 3 313.449 3.256 40 0 DGABHN Cc1csc([C@@H](Cc2cccs2)NC[C@@H]2CCOC2)n1 ZINC000019240062 182111943 /nfs/dbraw/zinc/11/19/43/182111943.db2.gz AYVYFHARSMCODH-GXTWGEPZSA-N 0 3 308.472 3.423 40 0 DGABHN O=c1cc([C@H]2CCCC[N@@H+]2C2CCCC2)nc(-c2ccncc2)[n-]1 ZINC000019405823 182121972 /nfs/dbraw/zinc/12/19/72/182121972.db2.gz LURMFGAJCMKYGX-QGZVFWFLSA-N 0 3 324.428 3.302 40 0 DGABHN O=c1cc([C@H]2CCCC[N@H+]2C2CCCC2)nc(-c2ccncc2)[n-]1 ZINC000019405823 182121974 /nfs/dbraw/zinc/12/19/74/182121974.db2.gz LURMFGAJCMKYGX-QGZVFWFLSA-N 0 3 324.428 3.302 40 0 DGABHN O=C(Nc1cccc(-n2cccn2)c1)C1CN(C2CCCCC2)C1 ZINC000019747578 182143038 /nfs/dbraw/zinc/14/30/38/182143038.db2.gz MPKQXBPNWDTKHE-UHFFFAOYSA-N 0 3 324.428 3.075 40 0 DGABHN COCC[C@H]1CCOC12CCN(Cc1ccc(C)s1)CC2 ZINC000585102959 400126224 /nfs/dbraw/zinc/12/62/24/400126224.db2.gz MMHKGTBRCZTBGH-HNNXBMFYSA-N 0 3 309.475 3.464 40 0 DGABHN CCOCCCNCC(=O)N1c2ccccc2[C@H](C)CC1(C)C ZINC000035311381 286070289 /nfs/dbraw/zinc/07/02/89/286070289.db2.gz PFIUHNMLLRHOAR-OAHLLOKOSA-N 0 3 318.461 3.322 40 0 DGABHN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(C)C)C1 ZINC000072370210 277019637 /nfs/dbraw/zinc/01/96/37/277019637.db2.gz CMEYGQKQGDAWAL-GFCCVEGCSA-N 0 3 302.443 3.459 40 0 DGABHN O=C(CCN1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000001710819 431235887 /nfs/dbraw/zinc/23/58/87/431235887.db2.gz NHQUCELQNYNWER-UHFFFAOYSA-N 0 3 323.436 3.368 40 0 DGABHN CCN(CC)C(=O)C1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000001664922 431235945 /nfs/dbraw/zinc/23/59/45/431235945.db2.gz AOELDYCMISDYBB-UHFFFAOYSA-N 0 3 313.445 3.248 40 0 DGABHN Cc1cc(NCCN(C)C)nc(Nc2ccc(Cl)cc2)n1 ZINC000001687218 431236045 /nfs/dbraw/zinc/23/60/45/431236045.db2.gz YIPYIUZKSAVEHB-UHFFFAOYSA-N 0 3 305.813 3.156 40 0 DGABHN CCCCCOC(=O)c1ccc(NC(=O)CNC(C)(C)C)cc1 ZINC000001671736 431236532 /nfs/dbraw/zinc/23/65/32/431236532.db2.gz CSYIVHQALOBGRV-UHFFFAOYSA-N 0 3 320.433 3.360 40 0 DGABHN Cc1ccc(C)c(O[C@H](C)C(=O)NCCN2CCCCCC2)c1 ZINC000013710898 431567649 /nfs/dbraw/zinc/56/76/49/431567649.db2.gz FQAXTQWXVFEILA-QGZVFWFLSA-N 0 3 318.461 3.063 40 0 DGABHN C[C@H]1C[C@@H](CC(=O)N[C@@H]2CCN(CC3CC3)C2)CC(C)(C)C1 ZINC000078570638 431682943 /nfs/dbraw/zinc/68/29/43/431682943.db2.gz NIUIYONNBJSBMH-BHYGNILZSA-N 0 3 306.494 3.439 40 0 DGABHN O=C(Nc1cccc(Cl)c1Cl)N1CCN2CCC[C@@H]2C1 ZINC000027932261 431697535 /nfs/dbraw/zinc/69/75/35/431697535.db2.gz VAUQIZLZRUGCKA-SNVBAGLBSA-N 0 3 314.216 3.305 40 0 DGABHN CC(=O)N1CCc2ccccc2[C@@H]1[C@H]1NCCc2ccccc21 ZINC000031750745 431764549 /nfs/dbraw/zinc/76/45/49/431764549.db2.gz AVKSIFQMKNTASD-VQTJNVASSA-N 0 3 306.409 3.019 40 0 DGABHN C[C@H](NC[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000035313700 431830104 /nfs/dbraw/zinc/83/01/04/431830104.db2.gz FGYNLHYPJDPKLK-DOTOQJQBSA-N 0 3 324.424 3.449 40 0 DGABHN O=C(CNC1CCCC1)Nc1ccccc1N1CCCCC1 ZINC000035311481 431831364 /nfs/dbraw/zinc/83/13/64/431831364.db2.gz SVEJDCPTXALLPG-UHFFFAOYSA-N 0 3 301.434 3.148 40 0 DGABHN Cc1ccc(CN2CCC3(CCN(CC4CC4)C3=O)CC2)s1 ZINC000096046876 431935709 /nfs/dbraw/zinc/93/57/09/431935709.db2.gz VDDZMSBGKWQWMR-UHFFFAOYSA-N 0 3 318.486 3.281 40 0 DGABHN Cc1ccc(CN2CC[C@]3(c4ccccc4)CCN(C)[C@@H]3C2)o1 ZINC000096100377 431937556 /nfs/dbraw/zinc/93/75/56/431937556.db2.gz KPSAMBPHSBLLJS-UXHICEINSA-N 0 3 310.441 3.436 40 0 DGABHN Cc1ccc(CN2CCC3(CC2)C(=O)N(C)[C@@H]3c2ccccc2)o1 ZINC000096100243 431937973 /nfs/dbraw/zinc/93/79/73/431937973.db2.gz QRVOZRGYSFUXSM-GOSISDBHSA-N 0 3 324.424 3.384 40 0 DGABHN COC[C@H]1Cn2cncc2CN(Cc2cccc3ccccc32)C1 ZINC000096217327 431942650 /nfs/dbraw/zinc/94/26/50/431942650.db2.gz USXTUELYOGRYDB-MRXNPFEDSA-N 0 3 321.424 3.315 40 0 DGABHN c1ccc(CN2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)nc1 ZINC000096200782 431943115 /nfs/dbraw/zinc/94/31/15/431943115.db2.gz MHBPNDQUINLXBB-PMACEKPBSA-N 0 3 323.440 3.089 40 0 DGABHN Cc1ccc(CN2CC[C@@]3(c4ccccc4)CCN(C)[C@H]3C2)o1 ZINC000248122918 432270546 /nfs/dbraw/zinc/27/05/46/432270546.db2.gz KPSAMBPHSBLLJS-VQTJNVASSA-N 0 3 310.441 3.436 40 0 DGABHN Cc1csc(Nc2cc(C)nc([C@@H]3CCCN(C)C3)n2)n1 ZINC000257209391 432418094 /nfs/dbraw/zinc/41/80/94/432418094.db2.gz BQECITBXRFDPKL-GFCCVEGCSA-N 0 3 303.435 3.103 40 0 DGABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3ccsc3)C2)c1 ZINC000257236358 432419639 /nfs/dbraw/zinc/41/96/39/432419639.db2.gz HBUCYDMCMFFFRM-GFCCVEGCSA-N 0 3 301.415 3.123 40 0 DGABHN c1cc2cc(CC3CCN(Cc4cccnc4)CC3)cnc2[nH]1 ZINC000257235448 432419722 /nfs/dbraw/zinc/41/97/22/432419722.db2.gz GXWRMDXZEFLXGC-UHFFFAOYSA-N 0 3 306.413 3.413 40 0 DGABHN Cc1ccnc([C@@H]2CCN(Cc3cn(C)c4ccccc34)C2)n1 ZINC000257234966 432420173 /nfs/dbraw/zinc/42/01/73/432420173.db2.gz GVUSMAYNLZYKPL-OAHLLOKOSA-N 0 3 306.413 3.266 40 0 DGABHN COc1ccc(CN2CCC[C@@H](c3nc(C)cn3C)C2)c(F)c1 ZINC000257240615 432422945 /nfs/dbraw/zinc/42/29/45/432422945.db2.gz HUIHIKTYEBGZAW-OAHLLOKOSA-N 0 3 317.408 3.256 40 0 DGABHN COc1cccc(CN2CCC[C@@H](c3n[nH]cc3C)C2)c1F ZINC000257238101 432423268 /nfs/dbraw/zinc/42/32/68/432423268.db2.gz HJPDWEFNZYROFS-CQSZACIVSA-N 0 3 303.381 3.245 40 0 DGABHN Cn1cc(CN2CC[C@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257239814 432423315 /nfs/dbraw/zinc/42/33/15/432423315.db2.gz HQXNUBLCMXLFDR-OAHLLOKOSA-N 0 3 306.413 3.033 40 0 DGABHN CCOc1ccccc1CN1CCC2(CC1)OCCC[C@H]2OC ZINC000257267320 432423812 /nfs/dbraw/zinc/42/38/12/432423812.db2.gz MGUBIETZPCDYFH-GOSISDBHSA-N 0 3 319.445 3.245 40 0 DGABHN c1cc2cc(C[C@H]3COCCN(Cc4cccnc4)C3)ccc2[nH]1 ZINC000257331910 432424326 /nfs/dbraw/zinc/42/43/26/432424326.db2.gz XUUITLPNWSKXAI-GOSISDBHSA-N 0 3 321.424 3.254 40 0 DGABHN Cc1cccc(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000225219744 432688090 /nfs/dbraw/zinc/68/80/90/432688090.db2.gz XIKJZCIZAXNCAY-MRXNPFEDSA-N 0 3 302.462 3.368 40 0 DGABHN c1nc(C2CCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)c[nH]1 ZINC000371334907 434670892 /nfs/dbraw/zinc/67/08/92/434670892.db2.gz HRIRVGIFYJOPQJ-UHFFFAOYSA-N 0 3 307.401 3.179 40 0 DGABHN c1nc(C2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)c[nH]1 ZINC000371334907 434670901 /nfs/dbraw/zinc/67/09/01/434670901.db2.gz HRIRVGIFYJOPQJ-UHFFFAOYSA-N 0 3 307.401 3.179 40 0 DGABHN c1ccc(CNCCc2nc([C@@H]3CCCSCC3)no2)cc1 ZINC000575415109 435036510 /nfs/dbraw/zinc/03/65/10/435036510.db2.gz RLNNVIMOXNWGQH-OAHLLOKOSA-N 0 3 317.458 3.403 40 0 DGABHN CC(C)[C@H]([NH3+])c1nnc(COc2ccc(C(C)(C)C)cc2)[n-]1 ZINC000095534792 185379347 /nfs/dbraw/zinc/37/93/47/185379347.db2.gz LQAJTDHLNPBDPY-HNNXBMFYSA-N 0 3 302.422 3.337 40 0 DGABHN CC(C)[C@H]([NH3+])c1nc(COc2ccc(C(C)(C)C)cc2)n[n-]1 ZINC000095534792 185379348 /nfs/dbraw/zinc/37/93/48/185379348.db2.gz LQAJTDHLNPBDPY-HNNXBMFYSA-N 0 3 302.422 3.337 40 0 DGABHN CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](N)C(C)C ZINC000079421023 185170842 /nfs/dbraw/zinc/17/08/42/185170842.db2.gz MZZDWAGQSSRJAG-ZDUSSCGKSA-N 0 3 302.340 3.037 40 0 DGABHN CC(C)[C@H](N)C(=O)N(Cc1c(F)cccc1Cl)C(C)C ZINC000079420403 185170904 /nfs/dbraw/zinc/17/09/04/185170904.db2.gz HYGFPBHBHJYMDH-AWEZNQCLSA-N 0 3 300.805 3.199 40 0 DGABHN CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225618240 186283920 /nfs/dbraw/zinc/28/39/20/186283920.db2.gz JECRNGWWJCZHAT-GOSISDBHSA-N 0 3 322.449 3.161 40 0 DGABHN Cc1csc(C2CCN(C(=O)[C@@]3(C)CCCCN3C)CC2)n1 ZINC000072367313 191137364 /nfs/dbraw/zinc/13/73/64/191137364.db2.gz VOMCGPWXMFWPMR-QGZVFWFLSA-N 0 3 321.490 3.032 40 0 DGABHN Cc1ccc(-c2noc([C@H]3CCN(Cc4cccnc4)C3)n2)cc1 ZINC000072369982 191139079 /nfs/dbraw/zinc/13/90/79/191139079.db2.gz ASGGXSIOFWYGLZ-KRWDZBQOSA-N 0 3 320.396 3.430 40 0 DGABHN c1ccc(-c2noc([C@H]3CCN(Cc4cccnc4)C3)n2)cc1 ZINC000072369820 191140136 /nfs/dbraw/zinc/14/01/36/191140136.db2.gz YIDVCSXXHXSMFX-INIZCTEOSA-N 0 3 306.369 3.121 40 0 DGABHN CCN1CC[C@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 ZINC000257276283 203003686 /nfs/dbraw/zinc/00/36/86/203003686.db2.gz NTCJVWFUVOWCJK-LBPRGKRZSA-N 0 3 303.435 3.103 40 0 DGABHN Cc1cccnc1CN1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257307883 203031490 /nfs/dbraw/zinc/03/14/90/203031490.db2.gz TUMOOGZRRHJRNN-HHXXYDBFSA-N 0 3 309.413 3.074 40 0 DGABHN Cc1c[nH]c([C@@H]2CCN(CCCOc3ccccc3F)C2)n1 ZINC000257307670 203033056 /nfs/dbraw/zinc/03/30/56/203033056.db2.gz SZTHSSLLQWEVSI-CQSZACIVSA-N 0 3 303.381 3.116 40 0 DGABHN CC(=O)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000096158408 193556500 /nfs/dbraw/zinc/55/65/00/193556500.db2.gz WLIIGHRWUQBVFG-UHFFFAOYSA-N 0 3 304.409 3.050 40 0 DGABHN COc1cc(CNC[C@@H](C)O)ccc1OCc1cccc(C)c1 ZINC000016349292 182042017 /nfs/dbraw/zinc/04/20/17/182042017.db2.gz OHDUVFKSTDLHBU-OAHLLOKOSA-N 0 3 315.413 3.053 40 0 DGABHN c1cnc(-c2nnc([C@@H]3CCCN3CC3CCCCC3)o2)cn1 ZINC000019403871 182121256 /nfs/dbraw/zinc/12/12/56/182121256.db2.gz XXBAKYDBKFBRMJ-HNNXBMFYSA-N 0 3 313.405 3.244 40 0 DGABHN COCC[C@H]1CCOC12CCN(Cc1cccc(OC)c1)CC2 ZINC000585104482 400126259 /nfs/dbraw/zinc/12/62/59/400126259.db2.gz JAYKSCOXUWJHAB-KRWDZBQOSA-N 0 3 319.445 3.103 40 0 DGABHN CC1=C[C@H](C)[C@H]([C@H]2NC(=N)Nc3nc4ccccc4n32)[C@H](C)C1 ZINC000245237950 401005207 /nfs/dbraw/zinc/00/52/07/401005207.db2.gz MPVKDSOURSACLP-VZAMPYOESA-N 0 3 309.417 3.323 40 0 DGABHN CCN(CC)C(=O)C1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000001675096 431236991 /nfs/dbraw/zinc/23/69/91/431236991.db2.gz DELYMNQSEIWFDQ-UHFFFAOYSA-N 0 3 314.473 3.256 40 0 DGABHN C[C@H](O)c1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1 ZINC000007540895 431352594 /nfs/dbraw/zinc/35/25/94/431352594.db2.gz URMYNGAXHBPSJY-BBRMVZONSA-N 0 3 301.386 3.269 40 0 DGABHN COc1cccc2cc(C(=O)NCCN3CCCCCC3)oc21 ZINC000073742549 431380541 /nfs/dbraw/zinc/38/05/41/431380541.db2.gz YQSDOWDGDZFTCK-UHFFFAOYSA-N 0 3 316.401 3.047 40 0 DGABHN CC[C@H](CO)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000008337069 431392695 /nfs/dbraw/zinc/39/26/95/431392695.db2.gz DMOGGRMOHHPXAC-QGZVFWFLSA-N 0 3 315.413 3.135 40 0 DGABHN CC[C@H](CO)NCc1cccc(OC)c1OCc1ccccc1 ZINC000008337126 431393430 /nfs/dbraw/zinc/39/34/30/431393430.db2.gz DHOBTIHPTGHNRS-QGZVFWFLSA-N 0 3 315.413 3.135 40 0 DGABHN CCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028221071 431703762 /nfs/dbraw/zinc/70/37/62/431703762.db2.gz JNOVUQUBOJDOAH-HNNXBMFYSA-N 0 3 308.853 3.468 40 0 DGABHN O=C1C[C@@H](NC2CCCCC2)C(=O)N1c1ccc2ccccc2c1 ZINC000031720224 431764778 /nfs/dbraw/zinc/76/47/78/431764778.db2.gz VIROFOOHJVPMMH-GOSISDBHSA-N 0 3 322.408 3.394 40 0 DGABHN CCOCCCNCC(=O)N1c2ccccc2[C@@H](C)CC1(C)C ZINC000035311382 431830233 /nfs/dbraw/zinc/83/02/33/431830233.db2.gz PFIUHNMLLRHOAR-HNNXBMFYSA-N 0 3 318.461 3.322 40 0 DGABHN Cc1ccc(CN2CC[C@H]3O[C@@H](c4nnc(C)o4)CC[C@H]32)s1 ZINC000096041093 431934785 /nfs/dbraw/zinc/93/47/85/431934785.db2.gz SDXCVQOZWDPFIZ-RBSFLKMASA-N 0 3 319.430 3.243 40 0 DGABHN CCN1C(=O)CC[C@]12CCCN(Cc1ccc(OC)cc1)CC2 ZINC000096047503 431935198 /nfs/dbraw/zinc/93/51/98/431935198.db2.gz PIWSGRUGPRICNF-IBGZPJMESA-N 0 3 316.445 3.062 40 0 DGABHN c1[nH]c2ccccc2c1Cc1nnc([C@H]2CCN(C3CCC3)C2)o1 ZINC000049169742 431936734 /nfs/dbraw/zinc/93/67/34/431936734.db2.gz RVEIVUITSVYLHK-ZDUSSCGKSA-N 0 3 322.412 3.484 40 0 biogenic,in-vitro DGABHN Cn1cccc1CN1CCC2(CC(Oc3cccnc3)C2)CC1 ZINC000096159344 431940223 /nfs/dbraw/zinc/94/02/23/431940223.db2.gz IERXJCQMDFOSGJ-UHFFFAOYSA-N 0 3 311.429 3.244 40 0 DGABHN Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2c(C)noc2C)o1 ZINC000096184666 431941407 /nfs/dbraw/zinc/94/14/07/431941407.db2.gz TVBBAILCYUPFFO-ZWKOTPCHSA-N 0 3 315.417 3.042 40 0 DGABHN c1cc(CN2CC[C@@H]3O[C@@H](COCC4CC4)CC[C@@H]32)cs1 ZINC000096186688 431941597 /nfs/dbraw/zinc/94/15/97/431941597.db2.gz CGGBXZIQKJDGQZ-IKGGRYGDSA-N 0 3 307.459 3.297 40 0 DGABHN CC[C@H](C)n1nccc1CNCCc1ccc(OC)c(OC)c1 ZINC000256049958 432414921 /nfs/dbraw/zinc/41/49/21/432414921.db2.gz CBQIYSIMQKRQAM-AWEZNQCLSA-N 0 3 317.433 3.204 40 0 DGABHN Cc1ncsc1CN1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257213069 432418132 /nfs/dbraw/zinc/41/81/32/432418132.db2.gz CGBLKZMUCBDHND-ZDUSSCGKSA-N 0 3 313.430 3.102 40 0 DGABHN Cc1n[nH]cc1CN1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257210404 432418170 /nfs/dbraw/zinc/41/81/70/432418170.db2.gz BULRPSRXZMOBNO-OAHLLOKOSA-N 0 3 306.413 3.331 40 0 DGABHN CN1CCC(NC(=O)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000225339867 432689925 /nfs/dbraw/zinc/68/99/25/432689925.db2.gz VEEVTJNLXGHHTQ-UHFFFAOYSA-N 0 3 315.244 3.136 40 0 DGABHN CN1c2ccccc2C2(CCN(Cc3ccsc3)CC2)C1=O ZINC000104998201 432018083 /nfs/dbraw/zinc/01/80/83/432018083.db2.gz YHNGXVHLLPXINX-UHFFFAOYSA-N 0 3 312.438 3.258 40 0 DGABHN C[C@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000072203963 191075628 /nfs/dbraw/zinc/07/56/28/191075628.db2.gz ICKLJMZYXGJZHD-UONOGXRCSA-N 0 3 305.422 3.132 40 0 DGABHN C[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000072203931 191076389 /nfs/dbraw/zinc/07/63/89/191076389.db2.gz XHVIHPAHSMZJAP-KGLIPLIRSA-N 0 3 305.422 3.132 40 0 DGABHN OCCN1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072357527 191130158 /nfs/dbraw/zinc/13/01/58/191130158.db2.gz AHBWCGDEILKPAY-CQSZACIVSA-N 0 3 300.377 3.059 40 0 DGABHN CN(C(=O)c1cc([C@H]2CCCN(C)C2)ccn1)C1CCCCC1 ZINC000072387121 191145424 /nfs/dbraw/zinc/14/54/24/191145424.db2.gz POJXOKGUCXFOIB-INIZCTEOSA-N 0 3 315.461 3.296 40 0 DGABHN C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCN(C)CC1 ZINC000072727879 191222563 /nfs/dbraw/zinc/22/25/63/191222563.db2.gz VWKHXJLRUHCJJI-NSHDSACASA-N 0 3 312.866 3.031 40 0 DGABHN c1cc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)co1 ZINC000107711934 432037370 /nfs/dbraw/zinc/03/73/70/432037370.db2.gz IIGWTLYDUWSVMC-MSOLQXFVSA-N 0 3 305.418 3.077 40 0 DGABHN Cc1ccc(CN2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)s1 ZINC000107731374 432039540 /nfs/dbraw/zinc/03/95/40/432039540.db2.gz VVCOFBDMQNUGCT-NVXWUHKLSA-N 0 3 317.458 3.249 40 0 DGABHN CN(C)CCn1ccc(NCc2ccc(Cl)c(Cl)c2)n1 ZINC000131935640 432040664 /nfs/dbraw/zinc/04/06/64/432040664.db2.gz NFHOTZAIYHRIEL-UHFFFAOYSA-N 0 3 313.232 3.364 40 0 DGABHN C/C(=C\c1ccccc1)CN1CCCC[C@@H]1CN1CCOCC1 ZINC000179392861 432056455 /nfs/dbraw/zinc/05/64/55/432056455.db2.gz FXAHLQBSOXTZEC-PHKMIBKXSA-N 0 3 314.473 3.277 40 0 DGABHN Cc1ncsc1CN1CC[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257299632 203023300 /nfs/dbraw/zinc/02/33/00/203023300.db2.gz RQWIMAYSBUVTQB-AWEZNQCLSA-N 0 3 316.474 3.210 40 0 DGABHN CCN(C(=O)c1scnc1C)[C@H]1CN(C)C2(C1)CCCCC2 ZINC000257306082 203030271 /nfs/dbraw/zinc/03/02/71/203030271.db2.gz SSUYHKIHLDSTQA-CQSZACIVSA-N 0 3 321.490 3.321 40 0 DGABHN c1cc2cc(C[C@H]3COCCN(Cc4ccncc4)C3)ccc2[nH]1 ZINC000257282988 203009802 /nfs/dbraw/zinc/00/98/02/203009802.db2.gz OWEARGWSRVZRAZ-GOSISDBHSA-N 0 3 321.424 3.254 40 0 DGABHN O[C@H]1CCN(Cc2ccsc2)CC[C@@H]1Oc1ccccc1F ZINC000257311882 203036604 /nfs/dbraw/zinc/03/66/04/203036604.db2.gz ULKAFLACCSCOIO-RDJZCZTQSA-N 0 3 321.417 3.292 40 0 DGABHN COc1cc(CN2CCC[C@@H](c3nc(C)c[nH]3)C2)cc(OC)c1 ZINC000257312737 203036856 /nfs/dbraw/zinc/03/68/56/203036856.db2.gz UPIBETMQFQCLHB-OAHLLOKOSA-N 0 3 315.417 3.115 40 0 DGABHN COc1cc(CN2CCC[C@H](c3nc(C)cn3C)C2)ccc1F ZINC000257342113 203065936 /nfs/dbraw/zinc/06/59/36/203065936.db2.gz ZNDHMWHZNDKFOD-HNNXBMFYSA-N 0 3 317.408 3.256 40 0 DGABHN CCOC[C@@H]1COCCC12CCN(Cc1ccc(C)o1)CC2 ZINC000096106390 193538856 /nfs/dbraw/zinc/53/88/56/193538856.db2.gz IFBLKSFDZPVANI-MRXNPFEDSA-N 0 3 307.434 3.243 40 0 DGABHN O[C@H](CN1CCC(Oc2ccc(F)cc2)CC1)c1cccs1 ZINC000019342955 182117029 /nfs/dbraw/zinc/11/70/29/182117029.db2.gz HWAHNLSMFPSBDJ-MRXNPFEDSA-N 0 3 321.417 3.464 40 0 DGABHN O=C1C[C@H](NC2CCCCCCC2)C(=O)N1c1ccccc1 ZINC000019372937 182121109 /nfs/dbraw/zinc/12/11/09/182121109.db2.gz HHXVUBYMSSNJMC-INIZCTEOSA-N 0 3 300.402 3.021 40 0 DGABHN CCCc1ccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)s1 ZINC000019525494 182128432 /nfs/dbraw/zinc/12/84/32/182128432.db2.gz YGXWZWHAMZEHHU-CXAGYDPISA-N 0 3 320.458 3.344 40 0 DGABHN COc1cccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)c1 ZINC000019565672 182130389 /nfs/dbraw/zinc/13/03/89/182130389.db2.gz LRXDWLHYXNAOGV-ZWKOTPCHSA-N 0 3 301.361 3.107 40 0 DGABHN CC(C)CN1CCCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216605 257124781 /nfs/dbraw/zinc/12/47/81/257124781.db2.gz QUWSAWOTOVJQMM-SFHVURJKSA-N 0 3 316.493 3.016 40 0 DGABHN CCCCN1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216246 257125041 /nfs/dbraw/zinc/12/50/41/257125041.db2.gz NEMOWILWBKWSFX-QGZVFWFLSA-N 0 3 303.450 3.245 40 0 DGABHN CC(C)(C)OC(=O)N1[C@@H]([C@@H](N)c2ccccc2)COC1(C)C ZINC000072208811 257128160 /nfs/dbraw/zinc/12/81/60/257128160.db2.gz OEXNURJONFKAOX-KGLIPLIRSA-N 0 3 306.406 3.058 40 0 DGABHN CCOCC[C@H]1CCOC12CCN(Cc1cccc(C)n1)CC2 ZINC000585104985 400126102 /nfs/dbraw/zinc/12/61/02/400126102.db2.gz NCCPOFZRABVFBD-KRWDZBQOSA-N 0 3 318.461 3.188 40 0 DGABHN Cc1cc(C)c2[nH]c(=O)c(CN[C@@H](CO)CC(C)C)cc2c1 ZINC000585292852 400131465 /nfs/dbraw/zinc/13/14/65/400131465.db2.gz AYTFKDPZWFGDMB-MRXNPFEDSA-N 0 3 302.418 3.054 40 0 DGABHN O=C(C1CC2(CC2)C1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000614729185 400936787 /nfs/dbraw/zinc/93/67/87/400936787.db2.gz QWBAMXYZZUYIPE-NRFANRHFSA-N 0 3 324.468 3.301 40 0 DGABHN O=C(C1CC2(CC2)C1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000614729188 400937159 /nfs/dbraw/zinc/93/71/59/400937159.db2.gz QWBAMXYZZUYIPE-OAQYLSRUSA-N 0 3 324.468 3.301 40 0 DGABHN CCC(=O)c1ccc(OC[C@H](O)CN2[C@H](C)CCC[C@H]2C)cc1 ZINC000245242008 401004891 /nfs/dbraw/zinc/00/48/91/401004891.db2.gz WKLGIIULCGMLEB-BFYDXBDKSA-N 0 3 319.445 3.282 40 0 DGABHN c1cc(CN2CCC3(C[C@H](Oc4ccccc4)CO3)CC2)co1 ZINC000096221806 275063953 /nfs/dbraw/zinc/06/39/53/275063953.db2.gz MBAAOHOKCCPJOF-SFHVURJKSA-N 0 3 313.397 3.482 40 0 DGABHN c1csc(CN2CCC3(CCN(c4ncccn4)C3)CC2)c1 ZINC000096046591 275074734 /nfs/dbraw/zinc/07/47/34/275074734.db2.gz HLAABIKKYAAKPP-UHFFFAOYSA-N 0 3 314.458 3.031 40 0 DGABHN CC1(C)[C@@H]2C[C@H]1C([C@@H]1NC(=N)Nc3nc4ccccc4n31)=CC2 ZINC000007738555 275887930 /nfs/dbraw/zinc/88/79/30/275887930.db2.gz NPWRIMCTAVGORR-ITDIGPHOSA-N 0 3 307.401 3.077 40 0 DGABHN CC(C)c1ccc(NC(=S)NC[C@H]2CCCN(C)C2)cc1 ZINC000009876439 431446460 /nfs/dbraw/zinc/44/64/60/431446460.db2.gz PXWPPZKJNPQFJZ-CQSZACIVSA-N 0 3 305.491 3.438 40 0 DGABHN CN1CCC(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 ZINC000078618170 431687523 /nfs/dbraw/zinc/68/75/23/431687523.db2.gz JSNMUMPTCKCAGY-JXMROGBWSA-N 0 3 300.446 3.208 40 0 DGABHN C[C@@H]1CN([C@H](CN)c2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000020009118 288251407 /nfs/dbraw/zinc/25/14/07/288251407.db2.gz VWNPDOBODKGLFJ-GIPNMCIBSA-N 0 3 303.233 3.102 40 0 DGABHN COc1ccc(-c2noc([C@@H]3CCCN3CC(C)(C)C)n2)cn1 ZINC000035425863 431830277 /nfs/dbraw/zinc/83/02/77/431830277.db2.gz HXTHYZVUCUGQGJ-ZDUSSCGKSA-N 0 3 316.405 3.323 40 0 biogenic,in-vitro DGABHN Fc1ccc(CN2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)cc1 ZINC000096048559 431935629 /nfs/dbraw/zinc/93/56/29/431935629.db2.gz XFUMQKSJHUFULB-ZWKOTPCHSA-N 0 3 315.392 3.018 40 0 DGABHN Cc1ccc(CN2CC[C@H]3C[C@@H](c4noc(C)n4)O[C@@H]3C2)s1 ZINC000096046396 431935715 /nfs/dbraw/zinc/93/57/15/431935715.db2.gz INKOXPGXYSATOI-AEGPPILISA-N 0 3 319.430 3.100 40 0 DGABHN Cc1ccc(CN2CCC3(CC2)Cc2ccccc2CNC3=O)o1 ZINC000096063601 431936311 /nfs/dbraw/zinc/93/63/11/431936311.db2.gz FJNMUXYUXZFLPB-UHFFFAOYSA-N 0 3 324.424 3.043 40 0 DGABHN Fc1ccccc1-c1nnc([C@H]2CCN(Cc3ccco3)C2)o1 ZINC000049170540 431937310 /nfs/dbraw/zinc/93/73/10/431937310.db2.gz NEWNPKZTRKCFBT-LBPRGKRZSA-N 0 3 313.332 3.458 40 0 biogenic,in-vitro DGABHN Cc1nc(CN2CCC23CCN(Cc2ccoc2)CC3)cs1 ZINC000096077985 431937658 /nfs/dbraw/zinc/93/76/58/431937658.db2.gz RMSPQEDANORKEL-UHFFFAOYSA-N 0 3 317.458 3.285 40 0 DGABHN CO[C@H]1CCN(Cc2cccc(C)n2)C[C@@H]1Cc1ccccc1 ZINC000096110474 431938664 /nfs/dbraw/zinc/93/86/64/431938664.db2.gz QYEQQIZEIILARP-ICSRJNTNSA-N 0 3 310.441 3.470 40 0 DGABHN COc1ccc(C[C@H]2CN(Cc3ccoc3)CC[C@H]2OC)cc1 ZINC000096110232 431938980 /nfs/dbraw/zinc/93/89/80/431938980.db2.gz NREKRLKYPKSBJZ-PKOBYXMFSA-N 0 3 315.413 3.368 40 0 DGABHN COC[C@H]1COCCC12CCN(Cc1cccc(F)c1)CC2 ZINC000096106303 431939150 /nfs/dbraw/zinc/93/91/50/431939150.db2.gz URXQYDROLJMWPU-INIZCTEOSA-N 0 3 307.409 3.091 40 0 DGABHN Cc1ccc(CN2CCc3ncnc(-c4ccncc4)c3CC2)o1 ZINC000096255230 431943603 /nfs/dbraw/zinc/94/36/03/431943603.db2.gz IOFQNGVFEJGRPB-UHFFFAOYSA-N 0 3 320.396 3.041 40 0 DGABHN COc1cccc(CN2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000057728969 431993134 /nfs/dbraw/zinc/99/31/34/431993134.db2.gz LJLCICPURNYGOK-KRWDZBQOSA-N 0 3 310.441 3.402 40 0 DGABHN CC(C)[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000260901784 432428263 /nfs/dbraw/zinc/42/82/63/432428263.db2.gz NZXPBGFQXNBDBW-HOCLYGCPSA-N 0 3 306.425 3.198 40 0 DGABHN Cn1cc(CN2CCC[C@@H](c3ccncn3)C2)c2cc(F)ccc21 ZINC000257216033 432418147 /nfs/dbraw/zinc/41/81/47/432418147.db2.gz CSURNDWXUXWRNY-CQSZACIVSA-N 0 3 324.403 3.487 40 0 DGABHN O[C@@H]1CCCOC12CCN(Cc1ccc3ccccc3c1)CC2 ZINC000257204616 432418287 /nfs/dbraw/zinc/41/82/87/432418287.db2.gz AVNIIKOTKZLNMH-LJQANCHMSA-N 0 3 311.425 3.346 40 0 DGABHN Cc1cccnc1CN1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257289386 432424296 /nfs/dbraw/zinc/42/42/96/432424296.db2.gz PYJRJNOEIPOFNS-OAHLLOKOSA-N 0 3 307.401 3.041 40 0 DGABHN Cc1cc2nccc(C3CCN(Cc4ccncc4C)CC3)n2n1 ZINC000257265283 432424519 /nfs/dbraw/zinc/42/45/19/432424519.db2.gz LXZVUOBTCSLZTC-UHFFFAOYSA-N 0 3 321.428 3.121 40 0 DGABHN Cc1nc([C@@H]2CCCN2)nc2c1CCCN2CCc1ccccc1 ZINC000257268265 432425025 /nfs/dbraw/zinc/42/50/25/432425025.db2.gz MKXVKIVCALQTHC-SFHVURJKSA-N 0 3 322.456 3.205 40 0 DGABHN CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225692395 432696203 /nfs/dbraw/zinc/69/62/03/432696203.db2.gz CBSDXTDAJDQWSQ-SFHVURJKSA-N 0 3 322.449 3.161 40 0 DGABHN O=C(NCCN1CCCCC1)c1ccc2nc(Cl)sc2c1 ZINC000225975551 432701576 /nfs/dbraw/zinc/70/15/76/432701576.db2.gz KRLGMXTUUKHHFE-UHFFFAOYSA-N 0 3 323.849 3.165 40 0 DGABHN C[C@H](N1CCN(C)CC1)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000019365814 299007433 /nfs/dbraw/zinc/00/74/33/299007433.db2.gz WEMKXTZKYQLYKL-FXAWDEMLSA-N 0 3 316.489 3.090 40 0 DGABHN Cc1cc(NC(=O)C2CCN(C)CC2)ccc1Br ZINC000074713430 185011473 /nfs/dbraw/zinc/01/14/73/185011473.db2.gz WIWDISHQJOIQKL-UHFFFAOYSA-N 0 3 311.223 3.038 40 0 DGABHN CN1CCC[C@@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 ZINC000306134468 530055534 /nfs/dbraw/zinc/05/55/34/530055534.db2.gz NOQSLUIAFGHJRK-OAHLLOKOSA-N 0 3 310.376 3.345 40 0 DGABHN COCCN1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358496 191130744 /nfs/dbraw/zinc/13/07/44/191130744.db2.gz AQVJPMDTEBXMHK-CQSZACIVSA-N 0 3 315.392 3.109 40 0 DGABHN CN1CCC[C@@H](c2cncc(NCc3cccc(F)c3)n2)C1 ZINC000072365086 191134572 /nfs/dbraw/zinc/13/45/72/191134572.db2.gz CYCYJDNIBGFDCU-CQSZACIVSA-N 0 3 300.381 3.037 40 0 DGABHN CCCCNc1ccc(C(=O)OCCN(CC)CC)c(O)c1 ZINC000002573742 180936633 /nfs/dbraw/zinc/93/66/33/180936633.db2.gz DYMQZBNGFSKNPG-UHFFFAOYSA-N 0 3 308.422 3.103 40 0 DGABHN c1coc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)c1 ZINC000107711921 432037764 /nfs/dbraw/zinc/03/77/64/432037764.db2.gz AXHWVVFYWPBOKW-ROUUACIJSA-N 0 3 305.418 3.077 40 0 DGABHN Cc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)o1 ZINC000107751983 432038702 /nfs/dbraw/zinc/03/87/02/432038702.db2.gz CKHUCMLMMYHWJX-OALUTQOASA-N 0 3 319.445 3.386 40 0 DGABHN CN1CCC(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000074920975 191388680 /nfs/dbraw/zinc/38/86/80/191388680.db2.gz RLLOIUSCZNAIJX-UHFFFAOYSA-N 0 3 314.473 3.200 40 0 DGABHN C/C(=C\c1ccccc1)CN1CCCN(c2ccc(C)nn2)CC1 ZINC000179494431 432060106 /nfs/dbraw/zinc/06/01/06/432060106.db2.gz BNPYYSJUDQUOEI-BMRADRMJSA-N 0 3 322.456 3.401 40 0 DGABHN Cc1cnc(Nc2cc([C@H]3CCN(C(C)C)C3)nc(C)n2)s1 ZINC000257300723 203024937 /nfs/dbraw/zinc/02/49/37/203024937.db2.gz RVLNYMOCTOWCPI-ZDUSSCGKSA-N 0 3 317.462 3.491 40 0 DGABHN Cc1cc(NC2CC3(C2)CCN(Cc2ccsc2)C3)ncn1 ZINC000257300360 203026025 /nfs/dbraw/zinc/02/60/25/203026025.db2.gz RTYXIQALUZXSQW-UHFFFAOYSA-N 0 3 314.458 3.313 40 0 DGABHN CC(C)N1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000257289364 203016437 /nfs/dbraw/zinc/01/64/37/203016437.db2.gz PYHFSNXKDYDGQM-MAUKXSAKSA-N 0 3 304.409 3.062 40 0 DGABHN CNc1cc([C@H]2CCCN(Cc3ccnn3C(C)C)C2)ccn1 ZINC000257329114 203052159 /nfs/dbraw/zinc/05/21/59/203052159.db2.gz XINMLWWGURRGPB-INIZCTEOSA-N 0 3 313.449 3.280 40 0 DGABHN Cc1ncsc1CN1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257314264 203038737 /nfs/dbraw/zinc/03/87/37/203038737.db2.gz UWCOTCDZYNHMTH-VNQPRFMTSA-N 0 3 315.442 3.136 40 0 DGABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3sccc3C)C2)c1 ZINC000257316791 203040059 /nfs/dbraw/zinc/04/00/59/203040059.db2.gz VHABEZPQGVBIGC-CYBMUJFWSA-N 0 3 315.442 3.431 40 0 DGABHN CC(C)(C)c1noc([C@@H]2CCN(Cc3ccc(F)cc3)C2)n1 ZINC000019084617 182104563 /nfs/dbraw/zinc/10/45/63/182104563.db2.gz LDFRYVYRYLQATE-CYBMUJFWSA-N 0 3 303.381 3.496 40 0 DGABHN CCN(CC)CCNCc1cc(Cl)cc(Cl)c1OC ZINC000022074948 182307752 /nfs/dbraw/zinc/30/77/52/182307752.db2.gz MFGPARUWDYXDOD-UHFFFAOYSA-N 0 3 305.249 3.433 40 0 DGABHN O=C1c2ccccc2[N+]([O-])=C1c1ccc(Br)cc1 ZINC000001618484 285026675 /nfs/dbraw/zinc/02/66/75/285026675.db2.gz BHXMNNKOGJBVFU-UHFFFAOYSA-N 0 3 302.127 3.277 40 0 DGABHN O=[N+]1c2ccccc2C([O-])=C1c1ccc(Br)cc1 ZINC000001618484 285026678 /nfs/dbraw/zinc/02/66/78/285026678.db2.gz BHXMNNKOGJBVFU-UHFFFAOYSA-N 0 3 302.127 3.277 40 0 DGABHN C[C@@H]1CCCN([C@@H](CN)c2ccccc2OC(F)(F)F)C1 ZINC000021008944 296400128 /nfs/dbraw/zinc/40/01/28/296400128.db2.gz FALFGAHFGMNHNS-YPMHNXCESA-N 0 3 302.340 3.317 40 0 DGABHN CCOCC[C@@H]1CCOC12CCN(Cc1ccc(C)o1)CC2 ZINC000585105267 400125557 /nfs/dbraw/zinc/12/55/57/400125557.db2.gz RSDAQPBDMZXKTP-MRXNPFEDSA-N 0 3 307.434 3.386 40 0 DGABHN C[C@H]1CN([C@@H](CN)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000036108195 400388678 /nfs/dbraw/zinc/38/86/78/400388678.db2.gz XFLUILIYAOXTNV-BHDSKKPTSA-N 0 3 303.233 3.102 40 0 DGABHN O=C1OC[C@@H]2CCN(C3CCCC3)Cc3ccc(F)cc3N12 ZINC000225486465 275027105 /nfs/dbraw/zinc/02/71/05/275027105.db2.gz USFLKNNYKQCNMV-HNNXBMFYSA-N 0 3 304.365 3.299 40 0 biogenic,in-vitro DGABHN C[C@@H]1CN2CCC[C@H]2CN1Cc1ccc(Br)s1 ZINC000072324664 431336439 /nfs/dbraw/zinc/33/64/39/431336439.db2.gz DHYMOBDSLLFTKQ-MNOVXSKESA-N 0 3 315.280 3.179 40 0 DGABHN CCOCCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007538983 431353789 /nfs/dbraw/zinc/35/37/89/431353789.db2.gz YNXHLESEINZYPA-UHFFFAOYSA-N 0 3 317.385 3.249 40 0 DGABHN CCOc1cc(CNC[C@H](C)O)ccc1OCc1cccs1 ZINC000008254748 431388011 /nfs/dbraw/zinc/38/80/11/431388011.db2.gz UDNLOXJGNCHVNV-ZDUSSCGKSA-N 0 3 321.442 3.196 40 0 DGABHN CC[C@@H](CO)NCc1ccc(OCc2cccs2)c(OC)c1 ZINC000008326351 431394568 /nfs/dbraw/zinc/39/45/68/431394568.db2.gz WACZRYDVZAAEEL-AWEZNQCLSA-N 0 3 321.442 3.196 40 0 DGABHN C[C@@H](Oc1ccccc1Cl)C(=O)NCCN1CCCCCC1 ZINC000013710080 431567162 /nfs/dbraw/zinc/56/71/62/431567162.db2.gz DGOLYTCAMAIGKR-CQSZACIVSA-N 0 3 324.852 3.100 40 0 DGABHN CC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028221053 431701791 /nfs/dbraw/zinc/70/17/91/431701791.db2.gz OHEIXLBMIIKYCY-UKRRQHHQSA-N 0 3 308.853 3.467 40 0 DGABHN N[C@H](c1n[nH]c(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 ZINC000095533925 431925886 /nfs/dbraw/zinc/92/58/86/431925886.db2.gz DBGMEVUYWDGVPN-ZDUSSCGKSA-N 0 3 302.740 3.312 40 0 DGABHN Cc1ccsc1CN1CC[C@H]2C[C@@H](c3ccncn3)O[C@@H]2C1 ZINC000096046340 431935595 /nfs/dbraw/zinc/93/55/95/431935595.db2.gz WNYALPVWUZZYGB-CWRNSKLLSA-N 0 3 315.442 3.199 40 0 DGABHN CN1C[C@H](c2ccccc2)C2(CCN(Cc3ccco3)CC2)C1=O ZINC000096100278 431938016 /nfs/dbraw/zinc/93/80/16/431938016.db2.gz IIGPUBGFLMPJLK-GOSISDBHSA-N 0 3 324.424 3.118 40 0 DGABHN CO[C@@H]1CCN(Cc2ccccn2)C[C@@H]1Cc1cccc(C)c1 ZINC000096111158 431938583 /nfs/dbraw/zinc/93/85/83/431938583.db2.gz JJUMKQQLRQKWPC-AZUAARDMSA-N 0 3 310.441 3.470 40 0 DGABHN c1cc(CN2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cs1 ZINC000096107246 431938750 /nfs/dbraw/zinc/93/87/50/431938750.db2.gz AAONOPOVCOGAGK-SJORKVTESA-N 0 3 307.459 3.298 40 0 DGABHN CCC(=O)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000096158409 431940951 /nfs/dbraw/zinc/94/09/51/431940951.db2.gz ALGVKKUESULGTM-UHFFFAOYSA-N 0 3 318.436 3.440 40 0 DGABHN CCc1ccc(CN2CCC3(CN(c4ccccc4)C3=O)CC2)o1 ZINC000096202915 431942598 /nfs/dbraw/zinc/94/25/98/431942598.db2.gz RSRDBAHRDUIFIH-UHFFFAOYSA-N 0 3 324.424 3.471 40 0 DGABHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000098181653 431980351 /nfs/dbraw/zinc/98/03/51/431980351.db2.gz UXQRAMZRGNHVQQ-MRXNPFEDSA-N 0 3 304.434 3.375 40 0 DGABHN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC2CCN(C)CC2)c1 ZINC000054148119 431967763 /nfs/dbraw/zinc/96/77/63/431967763.db2.gz QPCFQJGWIQATFQ-HNNXBMFYSA-N 0 3 318.461 3.096 40 0 DGABHN Fc1ccccc1OCCCN1CCC[C@H](c2ccncn2)C1 ZINC000257217798 432417661 /nfs/dbraw/zinc/41/76/61/432417661.db2.gz DAQUGXPOHJYQPC-HNNXBMFYSA-N 0 3 315.392 3.264 40 0 DGABHN Fc1ccccc1OCCCN1CCC(c2cnccn2)CC1 ZINC000257217125 432418764 /nfs/dbraw/zinc/41/87/64/432418764.db2.gz CXOBTNCPWRYGAA-UHFFFAOYSA-N 0 3 315.392 3.264 40 0 DGABHN CC(=O)NCc1cc([C@H]2CCCN2Cc2cccs2)ccn1 ZINC000257231633 432419700 /nfs/dbraw/zinc/41/97/00/432419700.db2.gz GHOSGNHDPKPOCD-QGZVFWFLSA-N 0 3 315.442 3.116 40 0 DGABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3ccsc3)C2)c1 ZINC000257236359 432419968 /nfs/dbraw/zinc/41/99/68/432419968.db2.gz HBUCYDMCMFFFRM-LBPRGKRZSA-N 0 3 301.415 3.123 40 0 DGABHN CNc1cc(C)nc([C@H]2CCN(Cc3scnc3C)C2)c1 ZINC000257231369 432421423 /nfs/dbraw/zinc/42/14/23/432421423.db2.gz GGKGVTLINALTOD-ZDUSSCGKSA-N 0 3 302.447 3.186 40 0 DGABHN CCCCn1cc(CN2CCC[C@@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257250316 432423120 /nfs/dbraw/zinc/42/31/20/432423120.db2.gz JMAHIDKXNMJZMK-MRXNPFEDSA-N 0 3 315.465 3.403 40 0 DGABHN c1cc2cc(C[C@@H]3COCCN(Cc4cccnc4)C3)ccc2[nH]1 ZINC000257331911 432424401 /nfs/dbraw/zinc/42/44/01/432424401.db2.gz XUUITLPNWSKXAI-SFHVURJKSA-N 0 3 321.424 3.254 40 0 DGABHN CNc1cc([C@@H]2CCCN(Cc3scnc3C)C2)ccn1 ZINC000257335037 432424466 /nfs/dbraw/zinc/42/44/66/432424466.db2.gz YIKYHRCMSUDHNF-CQSZACIVSA-N 0 3 302.447 3.268 40 0 DGABHN O=C1OC[C@@H]2CCN(Cc3ccccc3)Cc3ccccc3N12 ZINC000225481937 432692690 /nfs/dbraw/zinc/69/26/90/432692690.db2.gz RBMYXLFHYNYHRW-KRWDZBQOSA-N 0 3 308.381 3.418 40 0 biogenic,in-vitro DGABHN c1nc([N-]c2cnc([C@@H]3CCC[NH2+]3)cn2)sc1-c1ccccc1 ZINC000585263138 435292809 /nfs/dbraw/zinc/29/28/09/435292809.db2.gz OGCVODUHQDTBIX-ZDUSSCGKSA-N 0 3 323.425 3.768 40 0 DGABHN c1cn(-c2nccnc2[C@@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000072350481 191127908 /nfs/dbraw/zinc/12/79/08/191127908.db2.gz MRHFAKLTJFBQAJ-QGZVFWFLSA-N 0 3 319.412 3.042 40 0 DGABHN c1cnc2[nH]c(-c3cccnc3)c(CN3CCSCC3)c2c1 ZINC000072397010 191149068 /nfs/dbraw/zinc/14/90/68/191149068.db2.gz PWVSMBUKNGZWIF-UHFFFAOYSA-N 0 3 310.426 3.174 40 0 DGABHN Cc1cccc(CN2CC[C@@H]3OCCC[C@@]3(COC(C)C)C2)n1 ZINC000107712816 432037280 /nfs/dbraw/zinc/03/72/80/432037280.db2.gz ZBZVUIRSKQEMEE-OALUTQOASA-N 0 3 318.461 3.186 40 0 DGABHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC000067801298 432041003 /nfs/dbraw/zinc/04/10/03/432041003.db2.gz AYYXKFMEIZHHDU-AWEZNQCLSA-N 0 3 308.397 3.315 40 0 DGABHN O=c1nc(CNC2CCCCC2)[nH]c2sc3c(c21)CCCC3 ZINC000004848700 181162379 /nfs/dbraw/zinc/16/23/79/181162379.db2.gz RRBDOGPNRDVRFA-UHFFFAOYSA-N 0 3 317.458 3.286 40 0 DGABHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1)C1CC1 ZINC000004888087 181168553 /nfs/dbraw/zinc/16/85/53/181168553.db2.gz LVXGCGTZFCANHR-GOOCMWNKSA-N 0 3 304.459 3.160 40 0 DGABHN CN1CCC(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000074921026 191388784 /nfs/dbraw/zinc/38/87/84/191388784.db2.gz YFHKKWWJDDZSDP-UHFFFAOYSA-N 0 3 300.324 3.376 40 0 DGABHN Cc1cc(C)cc(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000006500837 181346365 /nfs/dbraw/zinc/34/63/65/181346365.db2.gz IVCXCGOXNLBOKU-LJQANCHMSA-N 0 3 311.425 3.101 40 0 DGABHN CCCCn1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257275560 203004313 /nfs/dbraw/zinc/00/43/13/203004313.db2.gz NPWVPACLSRVNPD-OAHLLOKOSA-N 0 3 301.438 3.094 40 0 DGABHN Clc1ccccc1C[C@H]1COCCN(C2CCOCC2)C1 ZINC000257293764 203018406 /nfs/dbraw/zinc/01/84/06/203018406.db2.gz QRCMTONRVUAANO-CQSZACIVSA-N 0 3 309.837 3.010 40 0 DGABHN c1cc2cc(C[C@@H]3COCCN(Cc4ccccn4)C3)ccc2[nH]1 ZINC000257313786 203039604 /nfs/dbraw/zinc/03/96/04/203039604.db2.gz UUDOQKWUAQMJOG-KRWDZBQOSA-N 0 3 321.424 3.254 40 0 DGABHN c1cc(C[C@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)n[nH]1 ZINC000257323837 203047598 /nfs/dbraw/zinc/04/75/98/203047598.db2.gz WMANCZHUPGBMJU-OAHLLOKOSA-N 0 3 321.428 3.255 40 0 DGABHN CC(C)(C)c1noc([C@H]2CCN(Cc3cccc(F)c3)C2)n1 ZINC000019084633 182104223 /nfs/dbraw/zinc/10/42/23/182104223.db2.gz KMYHPSBKUYDYFJ-ZDUSSCGKSA-N 0 3 303.381 3.496 40 0 DGABHN O[C@H](CN1CCC(Oc2ccccc2F)CC1)c1cccs1 ZINC000019350152 182117621 /nfs/dbraw/zinc/11/76/21/182117621.db2.gz XJJRJFTXNRSWDR-OAHLLOKOSA-N 0 3 321.417 3.464 40 0 DGABHN O[C@@]1(c2cccnc2)CCCN(Cc2ccccc2F)CC1 ZINC000019349049 182117873 /nfs/dbraw/zinc/11/78/73/182117873.db2.gz YBXMJCNAVGIPOM-SFHVURJKSA-N 0 3 300.377 3.094 40 0 DGABHN CCn1ncc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1C ZINC000019523944 182127926 /nfs/dbraw/zinc/12/79/26/182127926.db2.gz MGGUYLHHPTYYJR-MRXNPFEDSA-N 0 3 323.444 3.467 40 0 DGABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)C1CC1 ZINC000019590175 182132094 /nfs/dbraw/zinc/13/20/94/182132094.db2.gz WYYUJDWRQOAQLC-GUDVDZBRSA-N 0 3 312.457 3.265 40 0 DGABHN Fc1cccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019789364 182149477 /nfs/dbraw/zinc/14/94/77/182149477.db2.gz AZSDHGDESITJQU-BPQIPLTHSA-N 0 3 300.421 3.156 40 0 DGABHN CCOc1cc(CNCCOC)ccc1OCc1cccs1 ZINC000007523860 256521489 /nfs/dbraw/zinc/52/14/89/256521489.db2.gz XLMWMYAROTZHGI-UHFFFAOYSA-N 0 3 321.442 3.462 40 0 DGABHN COc1cccc(-c2ccc3nc([C@@H]4CCCN(C)C4)nn3c2)c1 ZINC000306122964 533370389 /nfs/dbraw/zinc/37/03/89/533370389.db2.gz AAWUFCFZHGHOHZ-MRXNPFEDSA-N 0 3 322.412 3.214 40 0 DGABHN CC[C@@H]1N(Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2C ZINC000096052418 287312800 /nfs/dbraw/zinc/31/28/00/287312800.db2.gz UMXWTTNOGRNVSP-WMZOPIPTSA-N 0 3 304.409 3.191 40 0 DGABHN Cc1cccc(CO[C@H]2CSC3(CN(C4CCC4)C3)C2)n1 ZINC000247880931 432252967 /nfs/dbraw/zinc/25/29/67/432252967.db2.gz QYFJQAFFBVOPPK-MRXNPFEDSA-N 0 3 304.459 3.019 40 0 DGABHN CC1=C[C@H](C)[C@H]([C@@H]2NC(=N)Nc3nc4ccccc4n32)[C@@H](C)C1 ZINC000053944168 275925172 /nfs/dbraw/zinc/92/51/72/275925172.db2.gz MPVKDSOURSACLP-GVAFMPQTSA-N 0 3 309.417 3.323 40 0 DGABHN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](N)c1ccccc1O2 ZINC000051943388 278383327 /nfs/dbraw/zinc/38/33/27/278383327.db2.gz RHRIIQVZXVYVIE-CQSZACIVSA-N 0 3 318.417 3.239 40 0 DGABHN COc1ccc([C@H](Cc2ccc(Cl)cc2)NCCO)cc1 ZINC000001666275 431234887 /nfs/dbraw/zinc/23/48/87/431234887.db2.gz ZRBBTNAWVCKGTC-KRWDZBQOSA-N 0 3 305.805 3.214 40 0 DGABHN CCCCCOC(=O)c1cccc(NC(=O)CNCC(C)C)c1 ZINC000001671753 431236433 /nfs/dbraw/zinc/23/64/33/431236433.db2.gz IBWDDISEODUDFD-UHFFFAOYSA-N 0 3 320.433 3.218 40 0 DGABHN O=C(c1ccccc1)[C@@](O)(CN1CCCCC1)c1ccccc1 ZINC000001667646 431236770 /nfs/dbraw/zinc/23/67/70/431236770.db2.gz ZYMMGYFMZMBYCB-HXUWFJFHSA-N 0 3 309.409 3.243 40 0 DGABHN CCN(CC)C(=O)[C@@H]1CCCCN1Cc1c[nH]c2ccccc12 ZINC000001668208 431237408 /nfs/dbraw/zinc/23/74/08/431237408.db2.gz DMMAXFGKSUUAIY-SFHVURJKSA-N 0 3 313.445 3.391 40 0 DGABHN CCN1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2)CC1 ZINC000005823064 431312860 /nfs/dbraw/zinc/31/28/60/431312860.db2.gz SDEBPJUROZRIBX-UHFFFAOYSA-N 0 3 323.440 3.389 40 0 DGABHN COCCNCc1cccc(OC)c1OCc1ccccc1 ZINC000008469242 431399265 /nfs/dbraw/zinc/39/92/65/431399265.db2.gz BORNNWKUAVTRNI-UHFFFAOYSA-N 0 3 301.386 3.010 40 0 DGABHN COc1ccc([C@H]2CC(c3cc(C)ccc3[O-])=NC(=[NH2+])N2)cc1 ZINC000008655580 431403170 /nfs/dbraw/zinc/40/31/70/431403170.db2.gz ONQNMOIDZUDAEZ-OAHLLOKOSA-N 0 3 309.369 3.168 40 0 DGABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1coc2cc(C)ccc12 ZINC000012362816 431504483 /nfs/dbraw/zinc/50/44/83/431504483.db2.gz UWIIJQYLHASQPQ-INIZCTEOSA-N 0 3 314.429 3.274 40 0 DGABHN COC(=O)c1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000026898416 431680067 /nfs/dbraw/zinc/68/00/67/431680067.db2.gz KLSOLWNWIFFAGB-GOSISDBHSA-N 0 3 311.381 3.127 40 0 DGABHN CSCC[C@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000037441186 431847064 /nfs/dbraw/zinc/84/70/64/431847064.db2.gz AADWMJJEQWQGQK-QMMMGPOBSA-N 0 3 300.225 3.078 40 0 DGABHN CSCC[C@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000037441186 431847065 /nfs/dbraw/zinc/84/70/65/431847065.db2.gz AADWMJJEQWQGQK-QMMMGPOBSA-N 0 3 300.225 3.078 40 0 DGABHN CNc1ccc(-c2noc([C@@H]3CCCN3CC(C)(C)C)n2)cn1 ZINC000035426146 431829701 /nfs/dbraw/zinc/82/97/01/431829701.db2.gz QVAZDUQDJPUMOS-ZDUSSCGKSA-N 0 3 315.421 3.356 40 0 biogenic,in-vitro DGABHN N[C@H](c1nc(COc2ccc(Cl)cc2)n[nH]1)c1ccccc1 ZINC000095533382 431926620 /nfs/dbraw/zinc/92/66/20/431926620.db2.gz KYMRWCOBVITEBW-HNNXBMFYSA-N 0 3 314.776 3.085 40 0 DGABHN Cc1ccc(CN2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)s1 ZINC000096048556 431934813 /nfs/dbraw/zinc/93/48/13/431934813.db2.gz VVCOFBDMQNUGCT-RDJZCZTQSA-N 0 3 317.458 3.249 40 0 DGABHN Cc1ccc(CN2CC[C@H]3O[C@H](c4nnc(C)o4)CC[C@H]32)s1 ZINC000096040912 431935600 /nfs/dbraw/zinc/93/56/00/431935600.db2.gz SDXCVQOZWDPFIZ-KFWWJZLASA-N 0 3 319.430 3.243 40 0 DGABHN Cc1ccc(CNC[C@@H]2OCCc3cn(CC4CC4)nc32)s1 ZINC000096044351 431935980 /nfs/dbraw/zinc/93/59/80/431935980.db2.gz WIRGZCYEKOLZRO-INIZCTEOSA-N 0 3 317.458 3.067 40 0 DGABHN CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccc(OC)cc1)C2 ZINC000096056801 431937113 /nfs/dbraw/zinc/93/71/13/431937113.db2.gz HGJXULPVWFKQRR-OALUTQOASA-N 0 3 319.445 3.103 40 0 DGABHN Fc1ccc(CN2CC[C@H](c3nc4cccnc4[nH]3)C2)cc1F ZINC000049168795 431937181 /nfs/dbraw/zinc/93/71/81/431937181.db2.gz QXTXTQUZJZTNHP-LBPRGKRZSA-N 0 3 314.339 3.226 40 0 biogenic,in-vitro DGABHN O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(Cc1ccoc1)C2 ZINC000096100318 431937689 /nfs/dbraw/zinc/93/76/89/431937689.db2.gz JRQPZYCEMMICLQ-FQEVSTJZSA-N 0 3 322.408 3.180 40 0 DGABHN CCOC[C@@H]1COCCC12CCN(Cc1ccccc1F)CC2 ZINC000096106416 431939219 /nfs/dbraw/zinc/93/92/19/431939219.db2.gz JNUSNTMFSDEBCM-QGZVFWFLSA-N 0 3 321.436 3.481 40 0 DGABHN O=C(CC1=NCCN[C@@H](c2ccccc2)C1)c1ccccc1O ZINC000100638378 431982559 /nfs/dbraw/zinc/98/25/59/431982559.db2.gz KEQSOUMJJLVRRL-QGZVFWFLSA-N 0 3 308.381 3.141 40 0 DGABHN Cc1ccc(CN2CC[C@]3(c4ccccc4)CCN(C)[C@H]3C2)o1 ZINC000248122915 432270272 /nfs/dbraw/zinc/27/02/72/432270272.db2.gz KPSAMBPHSBLLJS-PMACEKPBSA-N 0 3 310.441 3.436 40 0 DGABHN Cc1ncsc1CN1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257213068 432417726 /nfs/dbraw/zinc/41/77/26/432417726.db2.gz CGBLKZMUCBDHND-CYBMUJFWSA-N 0 3 313.430 3.102 40 0 DGABHN CN(c1ccncn1)C1CC2(C1)CCN(Cc1cccs1)C2 ZINC000257213799 432418959 /nfs/dbraw/zinc/41/89/59/432418959.db2.gz CJCURKYIFRQYRM-UHFFFAOYSA-N 0 3 314.458 3.029 40 0 DGABHN CC(C)n1nccc1CN1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257221683 432421319 /nfs/dbraw/zinc/42/13/19/432421319.db2.gz DQCKBVKRGZPLCB-HNNXBMFYSA-N 0 3 324.432 3.115 40 0 DGABHN O=C(C1CCC1)N1CCC[C@@H]1c1cccc(CN2CCCC2)n1 ZINC000257256462 432423360 /nfs/dbraw/zinc/42/33/60/432423360.db2.gz KLPMGTCJPVYEQU-GOSISDBHSA-N 0 3 313.445 3.141 40 0 DGABHN c1cc2cc(C[C@H]3CCCN(Cc4cccnc4)C3)cnc2[nH]1 ZINC000257249923 432423378 /nfs/dbraw/zinc/42/33/78/432423378.db2.gz JKGLACITLSPLQA-OAHLLOKOSA-N 0 3 306.413 3.413 40 0 DGABHN CNc1cc(C)nc([C@H]2CCN(Cc3nccn3C(C)C)C2)c1 ZINC000257257814 432424788 /nfs/dbraw/zinc/42/47/88/432424788.db2.gz KREOPWRQJAXDTG-HNNXBMFYSA-N 0 3 313.449 3.199 40 0 DGABHN CN1CCC(NC(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000225799941 432699043 /nfs/dbraw/zinc/69/90/43/432699043.db2.gz RCCQLIUHRCUSQF-UHFFFAOYSA-N 0 3 317.380 3.086 40 0 DGABHN Cc1ccc(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)c(Cl)c1 ZINC000225003061 432684152 /nfs/dbraw/zinc/68/41/52/432684152.db2.gz RYOGOAXTUGAWAZ-ZIAGYGMSSA-N 0 3 308.853 3.356 40 0 DGABHN Cc1nc(Cc2noc(C3CN(C4CCCCC4)C3)n2)cs1 ZINC000333932082 433128371 /nfs/dbraw/zinc/12/83/71/433128371.db2.gz GMUVUCKCBUPPFO-UHFFFAOYSA-N 0 3 318.446 3.157 40 0 DGABHN CC(C)[C@H](N)C(=O)N(Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000079420427 185170639 /nfs/dbraw/zinc/17/06/39/185170639.db2.gz WBYIYHKVNXGGFI-AWEZNQCLSA-N 0 3 315.244 3.468 40 0 DGABHN CC(C)[C@H](N)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000079421063 185170831 /nfs/dbraw/zinc/17/08/31/185170831.db2.gz XEXBMRQNZSKIRQ-AWEZNQCLSA-N 0 3 315.244 3.468 40 0 DGABHN c1cncc(Oc2cncc([C@@H]3CCCN(CC4CC4)C3)n2)c1 ZINC000072383889 191144430 /nfs/dbraw/zinc/14/44/30/191144430.db2.gz ADHAQEBGAHKRBY-OAHLLOKOSA-N 0 3 310.401 3.253 40 0 DGABHN Cc1cccc(CN2CC[C@H]3OCCC[C@@]3(COC(C)C)C2)n1 ZINC000107712811 432037391 /nfs/dbraw/zinc/03/73/91/432037391.db2.gz ZBZVUIRSKQEMEE-MOPGFXCFSA-N 0 3 318.461 3.186 40 0 DGABHN Cc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)o1 ZINC000107751981 432039056 /nfs/dbraw/zinc/03/90/56/432039056.db2.gz CKHUCMLMMYHWJX-MOPGFXCFSA-N 0 3 319.445 3.386 40 0 DGABHN CN1CCC(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000074921027 191387883 /nfs/dbraw/zinc/38/78/83/191387883.db2.gz YBNQMZMKZMJZRX-UHFFFAOYSA-N 0 3 300.324 3.376 40 0 DGABHN CCCCn1cc(CN2CC[C@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257337653 203061139 /nfs/dbraw/zinc/06/11/39/203061139.db2.gz YTTWLHQGOBQBFL-HNNXBMFYSA-N 0 3 301.438 3.013 40 0 DGABHN COCCNCc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000016349327 182042193 /nfs/dbraw/zinc/04/21/93/182042193.db2.gz CSTXBGJWSFTYPD-UHFFFAOYSA-N 0 3 315.413 3.319 40 0 DGABHN Cc1csc([C@@H](Cc2cccs2)NC[C@H]2CCOC2)n1 ZINC000019240064 182111457 /nfs/dbraw/zinc/11/14/57/182111457.db2.gz AYVYFHARSMCODH-TZMCWYRMSA-N 0 3 308.472 3.423 40 0 DGABHN O[C@H](CN1CCC(Oc2cccc(F)c2)CC1)c1cccs1 ZINC000019294226 182113344 /nfs/dbraw/zinc/11/33/44/182113344.db2.gz XQDRUIJWPFCBBG-MRXNPFEDSA-N 0 3 321.417 3.464 40 0 DGABHN CCn1cncc1CN1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019578639 182131454 /nfs/dbraw/zinc/13/14/54/182131454.db2.gz FRCNQJFRPFEIFG-HNNXBMFYSA-N 0 3 309.417 3.159 40 0 DGABHN c1cc(CN2CCC3(CC2)OCC[C@H]3CCOCC2CC2)co1 ZINC000585103383 400125373 /nfs/dbraw/zinc/12/53/73/400125373.db2.gz AWFVMAQBXQPAQJ-GOSISDBHSA-N 0 3 319.445 3.467 40 0 DGABHN CO[C@@H]1CCN(Cc2c(C)n[nH]c2C)C[C@H]1Cc1ccccc1 ZINC000585278368 400130019 /nfs/dbraw/zinc/13/00/19/400130019.db2.gz ROVSBHZYWAPIRV-IEBWSBKVSA-N 0 3 313.445 3.106 40 0 DGABHN CCc1ccc(C(=O)Nc2nc([C@H]3CCCN3)cs2)cc1 ZINC000585266738 400130265 /nfs/dbraw/zinc/13/02/65/400130265.db2.gz PFUYUHZCUSDHPZ-CYBMUJFWSA-N 0 3 301.415 3.382 40 0 DGABHN Cc1cc(C)c2[nH]c(=O)c(CNC[C@@H](O)c3ccccc3)cc2c1 ZINC000585295163 400131937 /nfs/dbraw/zinc/13/19/37/400131937.db2.gz NVMLIGUWRFNFAS-GOSISDBHSA-N 0 3 322.408 3.380 40 0 DGABHN C[C@@H](N[C@H]1C(=O)N(OCc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000137535386 400595059 /nfs/dbraw/zinc/59/50/59/400595059.db2.gz IFQSQWPYIZCXFZ-GPMSIDNRSA-N 0 3 324.424 3.316 40 0 DGABHN O=C(Nc1nc2ccccc2s1)c1cccc2c1CNCC2 ZINC000146574204 400649641 /nfs/dbraw/zinc/64/96/41/400649641.db2.gz QUNNSFMOQKVCJH-UHFFFAOYSA-N 0 3 309.394 3.194 40 0 DGABHN COc1ccc(CN2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC000096052477 274108773 /nfs/dbraw/zinc/10/87/73/274108773.db2.gz OFULOBQQLZERHU-UHFFFAOYSA-N 0 3 322.408 3.181 40 0 DGABHN CN1CC[C@]2(CCCN(Cc3ccccc3Cl)CC2)C1=O ZINC000108533207 431146594 /nfs/dbraw/zinc/14/65/94/431146594.db2.gz GAHGJNMQYSKQME-KRWDZBQOSA-N 0 3 306.837 3.174 40 0 DGABHN CCN(Cc1ccccc1)C[C@@H](O)COc1ccc(F)cc1 ZINC000001469912 431230349 /nfs/dbraw/zinc/23/03/49/431230349.db2.gz ZZOZLKXQFLFSQC-QGZVFWFLSA-N 0 3 303.377 3.088 40 0 DGABHN CC[C@@H](CO)NCc1ccccc1OCc1ccccc1F ZINC000008326403 431394227 /nfs/dbraw/zinc/39/42/27/431394227.db2.gz FLBPBBLGPXHSPS-INIZCTEOSA-N 0 3 303.377 3.265 40 0 DGABHN COc1ccc([C@@H]2CC(c3cc(C)ccc3[O-])=NC(=[NH2+])N2)cc1 ZINC000008655576 431403623 /nfs/dbraw/zinc/40/36/23/431403623.db2.gz ONQNMOIDZUDAEZ-HNNXBMFYSA-N 0 3 309.369 3.168 40 0 DGABHN CC[C@H](CN1CCCCC1)NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000012239827 431496393 /nfs/dbraw/zinc/49/63/93/431496393.db2.gz QSPPFDFBIDWRDF-QGZVFWFLSA-N 0 3 318.436 3.238 40 0 DGABHN Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000012292081 431499149 /nfs/dbraw/zinc/49/91/49/431499149.db2.gz RHZPUERTRAVWLV-LJQANCHMSA-N 0 3 311.425 3.012 40 0 DGABHN Cc1nn(C)cc1-c1cncn1C[C@@H](c1ccc(C)cc1)N(C)C ZINC000019719467 431619869 /nfs/dbraw/zinc/61/98/69/431619869.db2.gz YRGZYKIELMYCMO-IBGZPJMESA-N 0 3 323.444 3.203 40 0 DGABHN CC(C)(C)OC(=O)N1CC[C@H](CNCc2ccccc2F)C1 ZINC000089223581 431861122 /nfs/dbraw/zinc/86/11/22/431861122.db2.gz WDQTURHNFSRHHP-CYBMUJFWSA-N 0 3 308.397 3.172 40 0 DGABHN Cc1ccsc1CN1CC[C@H]2O[C@H](c3nc(C)no3)CC[C@H]21 ZINC000097953571 431975626 /nfs/dbraw/zinc/97/56/26/431975626.db2.gz RYWNQALFUFKYBL-MCIONIFRSA-N 0 3 319.430 3.243 40 0 DGABHN Fc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)c1 ZINC000096047575 431935379 /nfs/dbraw/zinc/93/53/79/431935379.db2.gz RUBPDDZDTSPLSD-WMZOPIPTSA-N 0 3 316.376 3.264 40 0 DGABHN CN1C(=O)C2(CCN(Cc3ccoc3)CC2)[C@H]1c1ccccc1 ZINC000096100236 431937579 /nfs/dbraw/zinc/93/75/79/431937579.db2.gz WHJOZVWLPAGLGR-QGZVFWFLSA-N 0 3 310.397 3.075 40 0 DGABHN CN1C(=O)C2(CCN(Cc3ccoc3)CC2)[C@@H]1c1ccccc1 ZINC000096100237 431937591 /nfs/dbraw/zinc/93/75/91/431937591.db2.gz WHJOZVWLPAGLGR-KRWDZBQOSA-N 0 3 310.397 3.075 40 0 DGABHN Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)o1 ZINC000096199587 431942635 /nfs/dbraw/zinc/94/26/35/431942635.db2.gz CGXVLZVCDZOZJQ-SFHVURJKSA-N 0 3 324.424 3.226 40 0 DGABHN COc1cc(CN2CCC[C@H](c3nc(C)c[nH]3)C2)ccc1F ZINC000257213731 432419310 /nfs/dbraw/zinc/41/93/10/432419310.db2.gz CIWOYYKIEIKQNS-AWEZNQCLSA-N 0 3 303.381 3.245 40 0 DGABHN CNc1cc(C)nc([C@@H]2CCN(Cc3nccn3C(C)C)C2)c1 ZINC000257257815 432423965 /nfs/dbraw/zinc/42/39/65/432423965.db2.gz KREOPWRQJAXDTG-OAHLLOKOSA-N 0 3 313.449 3.199 40 0 DGABHN Cc1ncsc1CN1CC[C@H](c2ncn3ccsc23)C1 ZINC000257283825 432424815 /nfs/dbraw/zinc/42/48/15/432424815.db2.gz OZZKIKVKNKDXOF-NSHDSACASA-N 0 3 304.444 3.150 40 0 DGABHN c1nc(CN2CCC[C@@H](Cc3ccnc4ccncc34)CC2)c[nH]1 ZINC000257284328 432425604 /nfs/dbraw/zinc/42/56/04/432425604.db2.gz PCGAVQKMWGZVQD-OAHLLOKOSA-N 0 3 321.428 3.198 40 0 DGABHN c1ncc(CN2CCC[C@@H](Cc3ccnc4ccncc34)CC2)[nH]1 ZINC000257284328 432425607 /nfs/dbraw/zinc/42/56/07/432425607.db2.gz PCGAVQKMWGZVQD-OAHLLOKOSA-N 0 3 321.428 3.198 40 0 DGABHN CC(C)[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000225229285 432688627 /nfs/dbraw/zinc/68/86/27/432688627.db2.gz NZXPBGFQXNBDBW-GDBMZVCRSA-N 0 3 306.425 3.198 40 0 DGABHN CN(C)CCN(Cc1ccncc1)Cc1ccnc2ccccc12 ZINC000022913830 289150418 /nfs/dbraw/zinc/15/04/18/289150418.db2.gz CZMFZTRTVYNYFR-UHFFFAOYSA-N 0 3 320.440 3.194 40 0 DGABHN c1ccc(C[C@@H]2CC3(CO2)CCN(Cc2ccccn2)CC3)nc1 ZINC000257243197 333806093 /nfs/dbraw/zinc/80/60/93/333806093.db2.gz IFVZOZJAWOAYQP-LJQANCHMSA-N 0 3 323.440 3.090 40 0 DGABHN N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC000000039238 545644072 /nfs/dbraw/zinc/64/40/72/545644072.db2.gz BZBYYTSHGRKCJJ-GOSISDBHSA-N 0 3 306.365 3.054 40 0 DGABHN COc1ccccc1CNCCc1cc(OC)c(C)cc1OC ZINC000299817320 563914210 /nfs/dbraw/zinc/91/42/10/563914210.db2.gz UTVHBNXCFSATDB-UHFFFAOYSA-N 0 3 315.413 3.353 40 0 in-vitro DGABHN OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1OCc1ccccc1 ZINC001772491076 1197699049 /nfs/dbraw/zinc/69/90/49/1197699049.db2.gz DAEQJRXBQKIVSA-PMACEKPBSA-N 0 3 311.425 3.086 40 0 DGABHN Cc1noc(C)c1C(=O)N1CCC[C@@H](c2cc3c[nH]ccc-3n2)C1 ZINC000019579976 282378446 /nfs/dbraw/zinc/37/84/46/282378446.db2.gz FYVVINAATWOSFK-CYBMUJFWSA-N 0 3 324.384 3.188 40 0 DGABHN Cc1noc(C)c1C(=O)N1CCC[C@@H](c2cc3cnccc3[nH]2)C1 ZINC000019579976 282378453 /nfs/dbraw/zinc/37/84/53/282378453.db2.gz FYVVINAATWOSFK-CYBMUJFWSA-N 0 3 324.384 3.188 40 0 DGABHN CN1CCC[C@H](c2cnc(NCc3cccc(F)c3)cn2)C1 ZINC000072365087 191134369 /nfs/dbraw/zinc/13/43/69/191134369.db2.gz DVORBGXVFQCSKA-AWEZNQCLSA-N 0 3 300.381 3.037 40 0 DGABHN c1cn(-c2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)cn1 ZINC000072378633 191141544 /nfs/dbraw/zinc/14/15/44/191141544.db2.gz DSYPPXSQVCIRTA-KRWDZBQOSA-N 0 3 319.412 3.042 40 0 DGABHN C[C@@H](CN(C)C)Nc1ncc(-c2ccco2)c(-c2ccco2)n1 ZINC000072396883 191149790 /nfs/dbraw/zinc/14/97/90/191149790.db2.gz LFEXBBLTYRQECD-LBPRGKRZSA-N 0 3 312.373 3.359 40 0 DGABHN CC(C)NCCO[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000005962933 181301247 /nfs/dbraw/zinc/30/12/47/181301247.db2.gz LATRADDNRKNQQJ-QFIPXVFZSA-N 0 3 317.454 3.454 40 0 DGABHN O=C(CC1CCCC1)N1CCC2(CC1)CNCc1ccccc12 ZINC000096156919 283770752 /nfs/dbraw/zinc/77/07/52/283770752.db2.gz PDVNUNNRJHXVNC-UHFFFAOYSA-N 0 3 312.457 3.230 40 0 DGABHN CCCCc1nc(CN2CCC[C@@H](c3nc(C)c[nH]3)C2)c[nH]1 ZINC000257309368 203035044 /nfs/dbraw/zinc/03/50/44/203035044.db2.gz UAQYGNRWXQMOLS-CQSZACIVSA-N 0 3 301.438 3.163 40 0 DGABHN CCCCc1ncc(CN2CCC[C@@H](c3nc(C)c[nH]3)C2)[nH]1 ZINC000257309368 203035045 /nfs/dbraw/zinc/03/50/45/203035045.db2.gz UAQYGNRWXQMOLS-CQSZACIVSA-N 0 3 301.438 3.163 40 0 DGABHN c1ccc(CN2CCC3(CO[C@@H](Cc4cccnc4)C3)CC2)nc1 ZINC000257330060 203052675 /nfs/dbraw/zinc/05/26/75/203052675.db2.gz XMPQESUFSGVUQJ-IBGZPJMESA-N 0 3 323.440 3.090 40 0 DGABHN c1cc(CN2CCC3(CC(Nc4ccncn4)C3)C2)cs1 ZINC000257329750 203053017 /nfs/dbraw/zinc/05/30/17/203053017.db2.gz XLJOHPFUPLGROJ-UHFFFAOYSA-N 0 3 300.431 3.005 40 0 DGABHN c1cc([C@@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)n[nH]1 ZINC000257311128 203037345 /nfs/dbraw/zinc/03/73/45/203037345.db2.gz UICKOZRPSOPWKJ-QGZVFWFLSA-N 0 3 319.412 3.246 40 0 DGABHN Cc1c[nH]c([C@H]2CCCN(CCOc3ccc(F)cc3)C2)n1 ZINC000257319788 203042574 /nfs/dbraw/zinc/04/25/74/203042574.db2.gz VUAQQADBRUPQAI-AWEZNQCLSA-N 0 3 303.381 3.116 40 0 DGABHN Fc1cccc(CN2CC[C@H](c3nc(-c4ccncc4)no3)C2)c1 ZINC000019293791 182113755 /nfs/dbraw/zinc/11/37/55/182113755.db2.gz VPBJLNQDQNDIIJ-HNNXBMFYSA-N 0 3 324.359 3.260 40 0 DGABHN Cc1cc(C)c2c(N[C@@H]3CCN(Cc4ccccc4)C3)n[nH]c2n1 ZINC000019657290 182134980 /nfs/dbraw/zinc/13/49/80/182134980.db2.gz CVWGGTHKBKDURY-MRXNPFEDSA-N 0 3 321.428 3.261 40 0 DGABHN CN1Cc2cnn(CC3CCCC3)c2[C@H](COCC2CC2)C1 ZINC000105134925 194077532 /nfs/dbraw/zinc/07/75/32/194077532.db2.gz RQPYPJAUMAPCDD-KRWDZBQOSA-N 0 3 303.450 3.029 40 0 DGABHN COc1cccc(-c2ccc3nc([C@H]4CCCN(C)C4)nn3c2)c1 ZINC000306122963 533370516 /nfs/dbraw/zinc/37/05/16/533370516.db2.gz AAWUFCFZHGHOHZ-INIZCTEOSA-N 0 3 322.412 3.214 40 0 DGABHN C[C@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccccn1 ZINC000585108942 400126239 /nfs/dbraw/zinc/12/62/39/400126239.db2.gz GZOCEMXSAOCPQS-MNEFBYGVSA-N 0 3 321.424 3.018 40 0 DGABHN C[C@H]1CCCN([C@H](CN)c2ccccc2OC(F)(F)F)C1 ZINC000108350007 400343430 /nfs/dbraw/zinc/34/34/30/400343430.db2.gz FALFGAHFGMNHNS-WCQYABFASA-N 0 3 302.340 3.317 40 0 DGABHN Cc1c2cccc(C)c2oc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000171452091 274668189 /nfs/dbraw/zinc/66/81/89/274668189.db2.gz QSTQNVRBHOQTQX-HNNXBMFYSA-N 0 3 312.413 3.360 40 0 DGABHN CN(CCO)CCN1c2ccccc2Sc2ccccc21 ZINC000001636909 431232888 /nfs/dbraw/zinc/23/28/88/431232888.db2.gz DHSXOMFXWAZKJH-UHFFFAOYSA-N 0 3 300.427 3.213 40 0 DGABHN C[C@@H](CN1c2ccccc2S(=O)c2ccccc21)N(C)C ZINC000001849515 431238728 /nfs/dbraw/zinc/23/87/28/431238728.db2.gz OWTCLFIFAFHQIX-ZDUSSCGKSA-N 0 3 300.427 3.255 40 0 in-vitro DGABHN COCCNCc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000007540224 431352737 /nfs/dbraw/zinc/35/27/37/431352737.db2.gz WNEKNQXRARMKAK-UHFFFAOYSA-N 0 3 315.413 3.053 40 0 DGABHN COc1cc(CNC[C@H](C)O)ccc1OCc1ccc(C)cc1 ZINC000008550147 431403521 /nfs/dbraw/zinc/40/35/21/431403521.db2.gz LVGYXBPNTWYEJG-HNNXBMFYSA-N 0 3 315.413 3.053 40 0 DGABHN Cc1ccc2c(CC(=O)N(C)CCN3CCCCC3)coc2c1 ZINC000012346164 431503152 /nfs/dbraw/zinc/50/31/52/431503152.db2.gz LDLHOJGYUZVNNQ-UHFFFAOYSA-N 0 3 314.429 3.228 40 0 DGABHN O=C(CCSCc1ccccc1)NCCN1CCCCCC1 ZINC000013688194 431564766 /nfs/dbraw/zinc/56/47/66/431564766.db2.gz ICRCQORRWFFWAC-UHFFFAOYSA-N 0 3 320.502 3.302 40 0 DGABHN COc1ccc2[nH]c(=O)c(CNCc3ccc(C)cc3)cc2c1 ZINC000013999151 431576702 /nfs/dbraw/zinc/57/67/02/431576702.db2.gz HFPLUSPNLWYVEL-UHFFFAOYSA-N 0 3 308.381 3.135 40 0 DGABHN C[C@@H]1CN([C@H](CN)c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000020009120 288251442 /nfs/dbraw/zinc/25/14/42/288251442.db2.gz VWNPDOBODKGLFJ-GBIKHYSHSA-N 0 3 303.233 3.102 40 0 DGABHN c1csc(-c2n[nH]cc2CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121204431 431753376 /nfs/dbraw/zinc/75/33/76/431753376.db2.gz PJJFSXWVZJEKPW-LBPRGKRZSA-N 0 3 313.430 3.241 40 0 DGABHN CCN1C(=O)CC[C@]12CCCN(Cc1ccc(F)cc1)CC2 ZINC000096047501 431934824 /nfs/dbraw/zinc/93/48/24/431934824.db2.gz WBJJLSPIWNQYGC-SFHVURJKSA-N 0 3 304.409 3.193 40 0 DGABHN c1cc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)co1 ZINC000096039800 431935153 /nfs/dbraw/zinc/93/51/53/431935153.db2.gz IIGWTLYDUWSVMC-QZTJIDSGSA-N 0 3 305.418 3.077 40 0 DGABHN Cc1ccc(CN2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)s1 ZINC000096041071 431935179 /nfs/dbraw/zinc/93/51/79/431935179.db2.gz IZUWLZNLHGCSPZ-RBSFLKMASA-N 0 3 319.430 3.243 40 0 DGABHN Cc1ccc(CN2CC3(C2)CCN(Cc2ccsc2)C3)o1 ZINC000096046484 431935830 /nfs/dbraw/zinc/93/58/30/431935830.db2.gz NPMYLRIPXJQNKR-UHFFFAOYSA-N 0 3 302.443 3.357 40 0 DGABHN O=C(Nc1ccccc1)N1CCC2(CN(CC3CCCC3)C2)C1 ZINC000096070783 431936898 /nfs/dbraw/zinc/93/68/98/431936898.db2.gz WKXVSRDRXXZQDF-UHFFFAOYSA-N 0 3 313.445 3.416 40 0 DGABHN CO[C@H]1CCN(Cc2ccccn2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110522 431939131 /nfs/dbraw/zinc/93/91/31/431939131.db2.gz JJUMKQQLRQKWPC-ICSRJNTNSA-N 0 3 310.441 3.470 40 0 DGABHN Cc1cccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2cccs2)n1 ZINC000096184737 431941663 /nfs/dbraw/zinc/94/16/63/431941663.db2.gz YPKSFVOBNSPFIE-ZWKOTPCHSA-N 0 3 313.470 3.300 40 0 DGABHN CCc1ccc(CN2CC[C@@H](OC)[C@@H]2Cc2cccnc2)o1 ZINC000096200136 431942374 /nfs/dbraw/zinc/94/23/74/431942374.db2.gz ZOLIVUHKRLNKMW-ZWKOTPCHSA-N 0 3 300.402 3.069 40 0 DGABHN c1cc2n(c1)C[C@H](OCc1cccnc1)CN(C1CCCC1)C2 ZINC000253588932 432400865 /nfs/dbraw/zinc/40/08/65/432400865.db2.gz ZKRNZIKJTSAMGS-IBGZPJMESA-N 0 3 311.429 3.227 40 0 DGABHN CC[C@@H](C)n1nccc1CNCCc1ccc(OC)c(OC)c1 ZINC000256049959 432414939 /nfs/dbraw/zinc/41/49/39/432414939.db2.gz CBQIYSIMQKRQAM-CQSZACIVSA-N 0 3 317.433 3.204 40 0 DGABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cccs3)C2)n1 ZINC000257199586 432416281 /nfs/dbraw/zinc/41/62/81/432416281.db2.gz AAAJLDMBFADSRZ-CYBMUJFWSA-N 0 3 315.442 3.147 40 0 DGABHN CN(CCc1ccccc1)Cc1cnc([C@@H]2CCCCO2)nc1 ZINC000257202872 432418301 /nfs/dbraw/zinc/41/83/01/432418301.db2.gz ANUDPRQVBVIJBQ-SFHVURJKSA-N 0 3 311.429 3.393 40 0 DGABHN CC(C)N1CCC[C@H]1c1cccc(N2C(=O)OCC2(C)C)n1 ZINC000257331983 432424003 /nfs/dbraw/zinc/42/40/03/432424003.db2.gz XVEYIQONISBYBP-AWEZNQCLSA-N 0 3 303.406 3.362 40 0 DGABHN CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225729938 432696355 /nfs/dbraw/zinc/69/63/55/432696355.db2.gz GGOHBTURBXHJIY-SFHVURJKSA-N 0 3 322.449 3.161 40 0 DGABHN O=C(NCCN1CCCCC1)c1ccc2sc(Cl)nc2c1 ZINC000225975531 432702088 /nfs/dbraw/zinc/70/20/88/432702088.db2.gz RCBTXPJWFOSPAA-UHFFFAOYSA-N 0 3 323.849 3.165 40 0 DGABHN COc1ccc(Cl)cc1C(=O)NCCN1C[C@@H](C)C[C@H](C)C1 ZINC000225039577 432685070 /nfs/dbraw/zinc/68/50/70/432685070.db2.gz UPOYVRKAGGSLMG-STQMWFEESA-N 0 3 324.852 3.056 40 0 DGABHN O=C(c1ccccc1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408613713 434588990 /nfs/dbraw/zinc/58/89/90/434588990.db2.gz ZPOVXWTWTKKMPD-HXUWFJFHSA-N 0 3 320.436 3.350 40 0 DGABHN CC(C)(C)OC(=O)Nc1cc(OC(F)(F)F)ccc1CN ZINC000199831062 563515950 /nfs/dbraw/zinc/51/59/50/563515950.db2.gz ZVCDNBPITUMVHD-UHFFFAOYSA-N 0 3 306.284 3.391 40 0 DGABHN CCN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H](N)C(C)C ZINC000079421011 185170689 /nfs/dbraw/zinc/17/06/89/185170689.db2.gz CTSZMRFVTUSQRV-ZDUSSCGKSA-N 0 3 303.233 3.325 40 0 DGABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000079420423 185170734 /nfs/dbraw/zinc/17/07/34/185170734.db2.gz DHTSEYNJYYEQDI-AWEZNQCLSA-N 0 3 315.244 3.468 40 0 DGABHN CCc1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)o1 ZINC000306127823 529642361 /nfs/dbraw/zinc/64/23/61/529642361.db2.gz GINCXPHHCIKKKH-RBUKOAKNSA-N 0 3 311.429 3.086 40 0 DGABHN C[C@H](c1ccccn1)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000072203780 191075370 /nfs/dbraw/zinc/07/53/70/191075370.db2.gz LBYCCMUITUMZQP-CQSZACIVSA-N 0 3 319.449 3.379 40 0 DGABHN CC(C)c1nccn1-c1cncc([C@H]2CCCN(C(C)C)C2)n1 ZINC000072355533 191130427 /nfs/dbraw/zinc/13/04/27/191130427.db2.gz MSHQVZGRKMRHIR-HNNXBMFYSA-N 0 3 313.449 3.374 40 0 DGABHN Cc1csc(CCNc2ccc([C@H]3CCCN3C)nc2)n1 ZINC000072365558 191134112 /nfs/dbraw/zinc/13/41/12/191134112.db2.gz BZAQAUSWTRIYTF-OAHLLOKOSA-N 0 3 302.447 3.268 40 0 DGABHN Cn1cc(CN2CC[C@@H](Cc3ccc4ncccc4c3)C2)cn1 ZINC000072368003 191137831 /nfs/dbraw/zinc/13/78/31/191137831.db2.gz GFBBLBNPRYJLGH-INIZCTEOSA-N 0 3 306.413 3.033 40 0 DGABHN CCc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc1 ZINC000072372993 191139364 /nfs/dbraw/zinc/13/93/64/191139364.db2.gz WBSHPIRITDNBBW-DLBZAZTESA-N 0 3 323.440 3.185 40 0 DGABHN CCc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc1 ZINC000072372993 191139366 /nfs/dbraw/zinc/13/93/66/191139366.db2.gz WBSHPIRITDNBBW-DLBZAZTESA-N 0 3 323.440 3.185 40 0 DGABHN C/C=C1\CN2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(O)cc21 ZINC000004824951 181157091 /nfs/dbraw/zinc/15/70/91/181157091.db2.gz VBKQRUUVDAWDIP-OYYJBKRWSA-N 0 3 310.397 3.014 40 0 DGABHN CN1CCC(CC(=O)Nc2cccc(Br)c2)CC1 ZINC000074921053 191388436 /nfs/dbraw/zinc/38/84/36/191388436.db2.gz VMVULSGVDQFLIV-UHFFFAOYSA-N 0 3 311.223 3.120 40 0 DGABHN COc1ccc(OC[C@H](O)CN2CCCCC2)c(C(C)(C)C)c1 ZINC000006306041 181327838 /nfs/dbraw/zinc/32/78/38/181327838.db2.gz ZZTSUGQTZLFYFX-OAHLLOKOSA-N 0 3 321.461 3.218 40 0 DGABHN COc1ccc(C(=O)[C@@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000006437114 181341306 /nfs/dbraw/zinc/34/13/06/181341306.db2.gz GZANJSHFALBLSZ-SFHVURJKSA-N 0 3 313.397 3.232 40 0 DGABHN c1cc2cc(C[C@H]3COCCN(Cc4ccccn4)C3)ccc2[nH]1 ZINC000257313787 203037808 /nfs/dbraw/zinc/03/78/08/203037808.db2.gz UUDOQKWUAQMJOG-QGZVFWFLSA-N 0 3 321.424 3.254 40 0 DGABHN Cc1cccc(CN2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)n1 ZINC000257317754 203043515 /nfs/dbraw/zinc/04/35/15/203043515.db2.gz VKZIBWGIRLCLEV-AYOQOUSVSA-N 0 3 309.413 3.074 40 0 DGABHN Cn1cc(CN2CCC[C@@H](c3cnccn3)C2)c2ccccc21 ZINC000257322233 203047732 /nfs/dbraw/zinc/04/77/32/203047732.db2.gz WFCVVTNJFSGPKA-OAHLLOKOSA-N 0 3 306.413 3.348 40 0 DGABHN COc1ccc2[nH]c(CN3CCC[C@@H](Cc4cc[nH]n4)C3)cc2c1 ZINC000257335733 203058436 /nfs/dbraw/zinc/05/84/36/203058436.db2.gz YLOSEGZUOZPHBQ-AWEZNQCLSA-N 0 3 324.428 3.354 40 0 DGABHN COc1ccc2[nH]c(CN3CCC[C@H](Cc4cc[nH]n4)C3)cc2c1 ZINC000257335734 203059007 /nfs/dbraw/zinc/05/90/07/203059007.db2.gz YLOSEGZUOZPHBQ-CQSZACIVSA-N 0 3 324.428 3.354 40 0 DGABHN COCCNCc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000016362777 182041973 /nfs/dbraw/zinc/04/19/73/182041973.db2.gz ZGMFGXMQOIFIGH-UHFFFAOYSA-N 0 3 315.413 3.319 40 0 DGABHN Fc1ccc(CN2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019340981 182116819 /nfs/dbraw/zinc/11/68/19/182116819.db2.gz KXMJBUKKFGONFI-OAHLLOKOSA-N 0 3 324.359 3.260 40 0 DGABHN OC[C@H](Cc1ccccc1)NCc1ccccc1C(F)(F)F ZINC000024269359 182378153 /nfs/dbraw/zinc/37/81/53/182378153.db2.gz VOXDILDMGONGDK-HNNXBMFYSA-N 0 3 309.331 3.399 40 0 DGABHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCCCCC1 ZINC000039766045 183021591 /nfs/dbraw/zinc/02/15/91/183021591.db2.gz JJXYHFHIHGDZTD-UHFFFAOYSA-N 0 3 318.436 3.440 40 0 DGABHN Cc1cccc(CO[C@H]2CSC3(CN(C4CCCC4)C3)C2)n1 ZINC000585105058 400125940 /nfs/dbraw/zinc/12/59/40/400125940.db2.gz OKWNMDJFWWGDBS-QGZVFWFLSA-N 0 3 318.486 3.409 40 0 DGABHN CCOCC[C@@H]1CCOC12CCN(Cc1cccc(C)n1)CC2 ZINC000585104986 400126004 /nfs/dbraw/zinc/12/60/04/400126004.db2.gz NCCPOFZRABVFBD-QGZVFWFLSA-N 0 3 318.461 3.188 40 0 DGABHN c1ccc(CO[C@H]2CSC3(CN(C4CCCC4)C3)C2)nc1 ZINC000585105403 400126058 /nfs/dbraw/zinc/12/60/58/400126058.db2.gz WAMCRSJBWCRCPR-MRXNPFEDSA-N 0 3 304.459 3.101 40 0 DGABHN CN1CC[C@@H]2[C@H]1CCCCN2C(=O)c1ccc2c(c1)CCCC2 ZINC000019712355 400186322 /nfs/dbraw/zinc/18/63/22/400186322.db2.gz ZJWDZGZLLYQNQR-RTBURBONSA-N 0 3 312.457 3.264 40 0 DGABHN O=C(C[C@@H](c1ccccc1)N1CCCCC1)OC[C@H]1CCCO1 ZINC000001569393 431229614 /nfs/dbraw/zinc/22/96/14/431229614.db2.gz JPWQZUQDQORRCQ-MSOLQXFVSA-N 0 3 317.429 3.326 40 0 DGABHN C[C@H](O)c1ccc(-c2ccc(CNC[C@H]3CCCO3)o2)cc1 ZINC000007540905 431354390 /nfs/dbraw/zinc/35/43/90/431354390.db2.gz URMYNGAXHBPSJY-XJKSGUPXSA-N 0 3 301.386 3.269 40 0 DGABHN CCOc1cc(CNC[C@@H](C)O)ccc1OCc1ccccc1 ZINC000008254647 431388031 /nfs/dbraw/zinc/38/80/31/431388031.db2.gz VXKIBGRSJQPSLO-OAHLLOKOSA-N 0 3 315.413 3.135 40 0 DGABHN CN1CCC[C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000009876635 431446268 /nfs/dbraw/zinc/44/62/68/431446268.db2.gz YHODADAONDZXDP-JTQLQIEISA-N 0 3 316.232 3.457 40 0 DGABHN Cc1ccccc1C1(O)CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000012292077 431500007 /nfs/dbraw/zinc/50/00/07/431500007.db2.gz MXOQEFMVFKNUBL-LJQANCHMSA-N 0 3 311.425 3.012 40 0 DGABHN Cc1ccsc1CN1CC[C@H]2C[C@@H](c3noc(C)n3)O[C@@H]2C1 ZINC000096046413 431934971 /nfs/dbraw/zinc/93/49/71/431934971.db2.gz LRYVKTNQGVHGEG-MELADBBJSA-N 0 3 319.430 3.100 40 0 DGABHN Fc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)c1 ZINC000096047574 431935406 /nfs/dbraw/zinc/93/54/06/431935406.db2.gz RUBPDDZDTSPLSD-AEFFLSMTSA-N 0 3 316.376 3.264 40 0 DGABHN Cc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)o1 ZINC000096057002 431936848 /nfs/dbraw/zinc/93/68/48/431936848.db2.gz CKHUCMLMMYHWJX-RBUKOAKNSA-N 0 3 319.445 3.386 40 0 DGABHN Fc1ccccc1CN1CC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000049169571 431937246 /nfs/dbraw/zinc/93/72/46/431937246.db2.gz NUFJNNQZORUFQC-HNNXBMFYSA-N 0 3 324.359 3.260 40 0 biogenic,in-vitro DGABHN CC(C)N1CC2(CCN([C@H]3CCOC3)CC2)c2ccccc21 ZINC000096078778 431937938 /nfs/dbraw/zinc/93/79/38/431937938.db2.gz DWCGIENRGUGAFG-INIZCTEOSA-N 0 3 300.446 3.038 40 0 DGABHN CN1C(=O)C2(CCN(Cc3ccco3)CC2)[C@@H]1c1ccccc1 ZINC000096100233 431938312 /nfs/dbraw/zinc/93/83/12/431938312.db2.gz VRYZAROQKVDXOP-KRWDZBQOSA-N 0 3 310.397 3.075 40 0 DGABHN CCOC[C@H]1COCCC12CCN(Cc1ccc(C)o1)CC2 ZINC000096106391 431939110 /nfs/dbraw/zinc/93/91/10/431939110.db2.gz IFBLKSFDZPVANI-INIZCTEOSA-N 0 3 307.434 3.243 40 0 DGABHN CCOC[C@H]1CC2(CO1)CCN(Cc1ccccc1OC)CC2 ZINC000096105901 431939234 /nfs/dbraw/zinc/93/92/34/431939234.db2.gz WPWIBWSVYJLPKB-QGZVFWFLSA-N 0 3 319.445 3.103 40 0 DGABHN Cc1noc(C)c1CN1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096202755 431942394 /nfs/dbraw/zinc/94/23/94/431942394.db2.gz JWHOFIBPMPZFHB-UHFFFAOYSA-N 0 3 317.458 3.061 40 0 DGABHN Cc1ccc2cc(CNCc3ccc(F)cc3)c3nnnn3c2c1 ZINC000013998161 281142532 /nfs/dbraw/zinc/14/25/32/281142532.db2.gz WRNOVNUEIMJUEO-UHFFFAOYSA-N 0 3 321.359 3.015 40 0 DGABHN Fc1ccccc1OCCCN1CCC[C@@H](c2ccncn2)C1 ZINC000257217799 432418207 /nfs/dbraw/zinc/41/82/07/432418207.db2.gz DAQUGXPOHJYQPC-OAHLLOKOSA-N 0 3 315.392 3.264 40 0 DGABHN CN(CCc1ccccc1)Cc1cnc([C@H]2CCCCO2)nc1 ZINC000257202871 432419323 /nfs/dbraw/zinc/41/93/23/432419323.db2.gz ANUDPRQVBVIJBQ-GOSISDBHSA-N 0 3 311.429 3.393 40 0 DGABHN Cn1ncc2ccc([C@H]3CCCN(Cc4ccsc4)C3)nc21 ZINC000257222702 432419806 /nfs/dbraw/zinc/41/98/06/432419806.db2.gz DUKAZLRQCFBAAH-HNNXBMFYSA-N 0 3 312.442 3.409 40 0 DGABHN Cn1cc(CN2CCC[C@H](c3cnccn3)C2)c2cc(F)ccc21 ZINC000257227302 432419999 /nfs/dbraw/zinc/41/99/99/432419999.db2.gz FOPRZTJUQSNVAU-AWEZNQCLSA-N 0 3 324.403 3.487 40 0 DGABHN CN(Cc1ccc(OCCF)cc1)C[C@H](O)c1ccccc1 ZINC000257321824 432424081 /nfs/dbraw/zinc/42/40/81/432424081.db2.gz WDJRTGRRKWDVPA-SFHVURJKSA-N 0 3 303.377 3.200 40 0 DGABHN Cc1c[nH]c([C@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 ZINC000257266503 432424133 /nfs/dbraw/zinc/42/41/33/432424133.db2.gz MDGXYTRXXPOOIO-KRWDZBQOSA-N 0 3 309.413 3.374 40 0 DGABHN CC(C)(C)CN1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225486875 432692411 /nfs/dbraw/zinc/69/24/11/432692411.db2.gz PTIWJEBMJLVREE-AWEZNQCLSA-N 0 3 306.381 3.403 40 0 biogenic,in-vitro DGABHN S=C(NC1CCCC1)NC1CCN(Cc2cccs2)CC1 ZINC000225230971 432687681 /nfs/dbraw/zinc/68/76/81/432687681.db2.gz ILWINOMHBDZRQV-UHFFFAOYSA-N 0 3 323.531 3.119 40 0 DGABHN Cn1c2ccc(CN3CCC4(CCCC4)CC3)cc2oc1=O ZINC000351403223 433504731 /nfs/dbraw/zinc/50/47/31/433504731.db2.gz YMFHCUSLUQWVKF-UHFFFAOYSA-N 0 3 300.402 3.288 40 0 DGABHN CN1c2ccccc2C2(CCN(Cc3cccs3)CC2)C1=O ZINC000104998212 432017678 /nfs/dbraw/zinc/01/76/78/432017678.db2.gz QNQQVYDEAKICPW-UHFFFAOYSA-N 0 3 312.438 3.258 40 0 DGABHN C[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1nccs1 ZINC000072203974 191075493 /nfs/dbraw/zinc/07/54/93/191075493.db2.gz JDHIYJVEFBSJLC-NSHDSACASA-N 0 3 311.451 3.193 40 0 DGABHN c1cncc(Oc2cncc([C@H]3CCCN(CC4CC4)C3)n2)c1 ZINC000072383890 191143673 /nfs/dbraw/zinc/14/36/73/191143673.db2.gz ADHAQEBGAHKRBY-HNNXBMFYSA-N 0 3 310.401 3.253 40 0 DGABHN Fc1ccc(CN2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 ZINC000072389901 191147862 /nfs/dbraw/zinc/14/78/62/191147862.db2.gz YGJZQWOLNDWXFI-HNNXBMFYSA-N 0 3 324.359 3.260 40 0 DGABHN c1cc2ccc(CN3CCOC[C@H](Cc4ccccn4)C3)cc2[nH]1 ZINC000072388195 191146992 /nfs/dbraw/zinc/14/69/92/191146992.db2.gz FRMPDUMCUWWSSV-QGZVFWFLSA-N 0 3 321.424 3.254 40 0 DGABHN Cc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1C ZINC000006503772 181346825 /nfs/dbraw/zinc/34/68/25/181346825.db2.gz BJICGNVCCYBCAT-IBGZPJMESA-N 0 3 311.425 3.101 40 0 DGABHN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1 ZINC000028645531 283954232 /nfs/dbraw/zinc/95/42/32/283954232.db2.gz JUKMAYKVHWKRKY-OLZOCXBDSA-N 0 3 302.201 3.392 40 0 in-vivo DGABHN CCN1CCNC[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O ZINC000257303662 203028753 /nfs/dbraw/zinc/02/87/53/203028753.db2.gz SIDGWLKIYFGFRF-HXUWFJFHSA-N 0 3 322.452 3.272 40 0 DGABHN CCCCc1nc(CN2CCC[C@@H](c3nc(C)cn3C)C2)c[nH]1 ZINC000257306003 203030204 /nfs/dbraw/zinc/03/02/04/203030204.db2.gz SSMKEJMZMCDPDK-OAHLLOKOSA-N 0 3 315.465 3.174 40 0 DGABHN CCCCc1ncc(CN2CCC[C@@H](c3nc(C)cn3C)C2)[nH]1 ZINC000257306003 203030207 /nfs/dbraw/zinc/03/02/07/203030207.db2.gz SSMKEJMZMCDPDK-OAHLLOKOSA-N 0 3 315.465 3.174 40 0 DGABHN CC(=O)NCc1ccc([C@@H]2CCCN2Cc2ccc(C)cc2)nc1 ZINC000257304972 203030261 /nfs/dbraw/zinc/03/02/61/203030261.db2.gz SNXQTOYHUZYJGL-FQEVSTJZSA-N 0 3 323.440 3.363 40 0 DGABHN Cc1nc(Nc2cc([C@H]3CCN(C)C3)nc(C)n2)sc1C ZINC000257317667 203039837 /nfs/dbraw/zinc/03/98/37/203039837.db2.gz VKRLCHMQHPJEKR-LBPRGKRZSA-N 0 3 303.435 3.021 40 0 DGABHN Cn1nccc1CN1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257344181 203066830 /nfs/dbraw/zinc/06/68/30/203066830.db2.gz ZWBPORIEGNZOAD-OAHLLOKOSA-N 0 3 306.413 3.033 40 0 DGABHN c1ccc(CN2CCC(c3nc(-c4ccncc4)n[nH]3)CC2)cc1 ZINC000012336871 181751819 /nfs/dbraw/zinc/75/18/19/181751819.db2.gz BEPQPZMKZQFKPO-UHFFFAOYSA-N 0 3 319.412 3.246 40 0 DGABHN O[C@@H](CN1CCC(Oc2cccc(F)c2)CC1)c1cccs1 ZINC000019294224 182113639 /nfs/dbraw/zinc/11/36/39/182113639.db2.gz XQDRUIJWPFCBBG-INIZCTEOSA-N 0 3 321.417 3.464 40 0 DGABHN CC(C)CC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C ZINC000019446586 182123915 /nfs/dbraw/zinc/12/39/15/182123915.db2.gz FHAUBQIGDGOHKY-ZHALLVOQSA-N 0 3 318.436 3.260 40 0 DGABHN COc1ccc(CN(CCN(C)C)Cc2cccs2)cc1 ZINC000019582558 182132598 /nfs/dbraw/zinc/13/25/98/182132598.db2.gz KUPHMIXZOJTULX-UHFFFAOYSA-N 0 3 304.459 3.321 40 0 DGABHN CC1CCN(Cc2ccc(C(=O)NCc3cccnc3)cc2)CC1 ZINC000019933612 182167123 /nfs/dbraw/zinc/16/71/23/182167123.db2.gz VOZXAZIFUMPDOU-UHFFFAOYSA-N 0 3 323.440 3.244 40 0 DGABHN Cc1c2cccc(C)c2oc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000171452095 432133886 /nfs/dbraw/zinc/13/38/86/432133886.db2.gz QSTQNVRBHOQTQX-OAHLLOKOSA-N 0 3 312.413 3.360 40 0 DGABHN O=C(c1csc2ccccc12)N1CC[C@H](N2CCCC2)C1 ZINC000171444886 432134380 /nfs/dbraw/zinc/13/43/80/432134380.db2.gz GCGNLVJAGGJQMA-ZDUSSCGKSA-N 0 3 300.427 3.212 40 0 DGABHN c1csc([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000157020465 197156140 /nfs/dbraw/zinc/15/61/40/197156140.db2.gz DZFBSCAOOHMWGA-CQSZACIVSA-N 0 3 316.426 3.294 40 0 DGABHN c1ccc(CN2CCC[C@H]2c2ccc(N3CCOCC3)nc2)cc1 ZINC000072216152 257125155 /nfs/dbraw/zinc/12/51/55/257125155.db2.gz NFLJSOPSDOGNCB-IBGZPJMESA-N 0 3 323.440 3.255 40 0 DGABHN CCCCN1CCCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216606 257125213 /nfs/dbraw/zinc/12/52/13/257125213.db2.gz VPRYVECOXSEGBR-GOSISDBHSA-N 0 3 316.493 3.161 40 0 DGABHN COC(=O)[C@@H](CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000070453731 257127787 /nfs/dbraw/zinc/12/77/87/257127787.db2.gz YJLLJZPQQXPQTL-ZDUSSCGKSA-N 0 3 301.308 3.058 40 0 DGABHN COCC[C@H]1CCOC12CCN(Cc1ccccc1OC)CC2 ZINC000585103290 400125108 /nfs/dbraw/zinc/12/51/08/400125108.db2.gz AQUVBJLOGVHGCW-KRWDZBQOSA-N 0 3 319.445 3.103 40 0 DGABHN CCN1C(=O)CC[C@]12CCCN(Cc1cccc(F)c1)CC2 ZINC000585100835 400125873 /nfs/dbraw/zinc/12/58/73/400125873.db2.gz YMGBZGXJAIDILK-SFHVURJKSA-N 0 3 304.409 3.193 40 0 DGABHN O=C(Nc1nc([C@H]2CCCN2)cs1)c1cccc(Cl)c1 ZINC000585266815 400130973 /nfs/dbraw/zinc/13/09/73/400130973.db2.gz QDQCZBJXMBFPFR-LLVKDONJSA-N 0 3 307.806 3.473 40 0 DGABHN c1cc(CN2CCC3(CCN(c4ncccn4)C3)CC2)cs1 ZINC000096046593 275063946 /nfs/dbraw/zinc/06/39/46/275063946.db2.gz LEYSRTADWAGZQP-UHFFFAOYSA-N 0 3 314.458 3.031 40 0 DGABHN CC1=C[C@@H](C)[C@H]([C@@H]2NC(=N)Nc3nc4ccccc4n32)[C@@H](C)C1 ZINC000053944172 276184342 /nfs/dbraw/zinc/18/43/42/276184342.db2.gz MPVKDSOURSACLP-GUYJKWIASA-N 0 3 309.417 3.323 40 0 DGABHN CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3)NCCC[C@H]12 ZINC000228975113 278413999 /nfs/dbraw/zinc/41/39/99/278413999.db2.gz XRRQIGUDVJTTIW-MAUKXSAKSA-N 0 3 302.418 3.275 40 0 DGABHN CCN1CC[C@@]2(CCCN(Cc3ccccc3C)CC2)C1=O ZINC000108531381 431147581 /nfs/dbraw/zinc/14/75/81/431147581.db2.gz DFPHKOSVKDINQF-IBGZPJMESA-N 0 3 300.446 3.220 40 0 DGABHN Cc1ccccc1N1CCN([C@@H]2CCc3cc(O)ccc3C2)CC1 ZINC000001846110 431239581 /nfs/dbraw/zinc/23/95/81/431239581.db2.gz ZYGBSDBJSDMKLV-LJQANCHMSA-N 0 3 322.452 3.380 40 0 in-man DGABHN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)c(F)c2)[C@@H](N)C1 ZINC000071790653 431287300 /nfs/dbraw/zinc/28/73/00/431287300.db2.gz SHDNLRJVAIEXBN-RISCZKNCSA-N 0 3 312.360 3.017 40 0 DGABHN CC(C)(CO)NCc1ccccc1OCc1ccc(F)cc1 ZINC000006883186 431322185 /nfs/dbraw/zinc/32/21/85/431322185.db2.gz OIIOZMIRGDDYJY-UHFFFAOYSA-N 0 3 303.377 3.265 40 0 DGABHN CN1CCC[C@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000009876627 431447403 /nfs/dbraw/zinc/44/74/03/431447403.db2.gz YHODADAONDZXDP-SNVBAGLBSA-N 0 3 316.232 3.457 40 0 DGABHN COc1cc(C)c2[nH]c(=O)c(CNCc3ccccc3)cc2c1 ZINC000013566703 431559230 /nfs/dbraw/zinc/55/92/30/431559230.db2.gz WGSOQOONNOJHOG-UHFFFAOYSA-N 0 3 308.381 3.135 40 0 DGABHN CN1CCC(NC(=O)/C(=C/c2ccccc2)c2ccccc2)CC1 ZINC000078578767 431686120 /nfs/dbraw/zinc/68/61/20/431686120.db2.gz KQPYGSCVRPJTPL-CAPFRKAQSA-N 0 3 320.436 3.438 40 0 DGABHN Cc1ccc(CN2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)s1 ZINC000097953570 431975355 /nfs/dbraw/zinc/97/53/55/431975355.db2.gz IZUWLZNLHGCSPZ-KFWWJZLASA-N 0 3 319.430 3.243 40 0 DGABHN Fc1ccccc1-c1nnc([C@H]2CCN(Cc3cccnc3)C2)o1 ZINC000049170564 431936700 /nfs/dbraw/zinc/93/67/00/431936700.db2.gz FLAMIBLDDNGEEZ-AWEZNQCLSA-N 0 3 324.359 3.260 40 0 biogenic,in-vitro DGABHN CCCNC(=O)[C@@H]1Cc2c[nH]c3cccc(c23)[C@H](CC(C)C)N1 ZINC000049171423 431936807 /nfs/dbraw/zinc/93/68/07/431936807.db2.gz OOONPRFMHDOUGP-IRXDYDNUSA-N 0 3 313.445 3.296 40 0 biogenic,in-vitro DGABHN CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(OC)cc1)C2 ZINC000096056799 431936980 /nfs/dbraw/zinc/93/69/80/431936980.db2.gz HGJXULPVWFKQRR-MOPGFXCFSA-N 0 3 319.445 3.103 40 0 DGABHN Fc1ccccc1CN1CC[C@H](c2nnc(-c3ccco3)o2)C1 ZINC000049169485 431937018 /nfs/dbraw/zinc/93/70/18/431937018.db2.gz QERFKANMUSWSLB-ZDUSSCGKSA-N 0 3 313.332 3.458 40 0 biogenic,in-vitro DGABHN Fc1ccccc1CN1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000049169665 431937047 /nfs/dbraw/zinc/93/70/47/431937047.db2.gz FSFCPNRSPOTRFA-HNNXBMFYSA-N 0 3 324.359 3.260 40 0 biogenic,in-vitro DGABHN CC(C)CN1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC000096113166 431938624 /nfs/dbraw/zinc/93/86/24/431938624.db2.gz IJWDAPPAWFBXSO-OAHLLOKOSA-N 0 3 317.351 3.441 40 0 biogenic,in-vitro DGABHN Cc1nc(CN2CCC(CNc3cccc(C)n3)CC2)oc1C ZINC000127956254 431984790 /nfs/dbraw/zinc/98/47/90/431984790.db2.gz YLEXCQOAONUHME-UHFFFAOYSA-N 0 3 314.433 3.319 40 0 DGABHN Cc1n[nH]cc1CN1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257210403 432419090 /nfs/dbraw/zinc/41/90/90/432419090.db2.gz BULRPSRXZMOBNO-HNNXBMFYSA-N 0 3 306.413 3.331 40 0 DGABHN CC(C)n1nccc1CN1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257221684 432419618 /nfs/dbraw/zinc/41/96/18/432419618.db2.gz DQCKBVKRGZPLCB-OAHLLOKOSA-N 0 3 324.432 3.115 40 0 DGABHN Cn1cc(CN2CCC[C@@H](c3cnccn3)C2)c2cc(F)ccc21 ZINC000257227303 432420776 /nfs/dbraw/zinc/42/07/76/432420776.db2.gz FOPRZTJUQSNVAU-CQSZACIVSA-N 0 3 324.403 3.487 40 0 DGABHN CCCCn1cc(CN2CCC[C@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257250315 432421779 /nfs/dbraw/zinc/42/17/79/432421779.db2.gz JMAHIDKXNMJZMK-INIZCTEOSA-N 0 3 315.465 3.403 40 0 DGABHN CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225729964 432695952 /nfs/dbraw/zinc/69/59/52/432695952.db2.gz GGOHBTURBXHJIY-GOSISDBHSA-N 0 3 322.449 3.161 40 0 DGABHN CCC1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000363359828 434027756 /nfs/dbraw/zinc/02/77/56/434027756.db2.gz YUGGRJMCTRWFKK-UHFFFAOYSA-N 0 3 300.446 3.300 40 0 DGABHN c1nc([N-]c2cnc([C@H]3CCC[NH2+]3)cn2)sc1-c1ccccc1 ZINC000585263137 435292581 /nfs/dbraw/zinc/29/25/81/435292581.db2.gz OGCVODUHQDTBIX-CYBMUJFWSA-N 0 3 323.425 3.768 40 0 DGABHN C[C@@H](c1ccccn1)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000072203777 191075787 /nfs/dbraw/zinc/07/57/87/191075787.db2.gz RJJBZKVBRLYUMB-LSDHHAIUSA-N 0 3 319.449 3.379 40 0 DGABHN CC(C)c1nccn1-c1cncc([C@@H]2CCCN(C(C)C)C2)n1 ZINC000072355532 191130329 /nfs/dbraw/zinc/13/03/29/191130329.db2.gz MSHQVZGRKMRHIR-OAHLLOKOSA-N 0 3 313.449 3.374 40 0 DGABHN CN1CCC[C@@H](c2cnc(NCc3cccc(F)c3)cn2)C1 ZINC000072365088 191134698 /nfs/dbraw/zinc/13/46/98/191134698.db2.gz DVORBGXVFQCSKA-CQSZACIVSA-N 0 3 300.381 3.037 40 0 DGABHN Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3C(C)C)n2)n1 ZINC000072376224 191139582 /nfs/dbraw/zinc/13/95/82/191139582.db2.gz PXPTVGQDISUUTP-OAHLLOKOSA-N 0 3 312.421 3.172 40 0 DGABHN Cc1ccccc1-c1noc([C@@H]2CCN(Cc3ccncc3)C2)n1 ZINC000072369935 191139609 /nfs/dbraw/zinc/13/96/09/191139609.db2.gz FMXKRAWFBGNUCN-MRXNPFEDSA-N 0 3 320.396 3.430 40 0 DGABHN c1cnc2[nH]c(C3CC3)c(CN3CCN4CCCC[C@@H]4C3)c2c1 ZINC000072393362 191149524 /nfs/dbraw/zinc/14/95/24/191149524.db2.gz YDDXBZPYKLEQPH-OAHLLOKOSA-N 0 3 310.445 3.110 40 0 DGABHN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCN(C)CC1 ZINC000072727880 191223674 /nfs/dbraw/zinc/22/36/74/191223674.db2.gz VWKHXJLRUHCJJI-LLVKDONJSA-N 0 3 312.866 3.031 40 0 DGABHN COc1ccc(CNCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000004160545 181079553 /nfs/dbraw/zinc/07/95/53/181079553.db2.gz MBMCQTRXNSJNSL-UHFFFAOYSA-N 0 3 322.408 3.443 40 0 DGABHN Cc1ccc(CN2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)s1 ZINC000107731377 432038858 /nfs/dbraw/zinc/03/88/58/432038858.db2.gz VVCOFBDMQNUGCT-WBVHZDCISA-N 0 3 317.458 3.249 40 0 DGABHN COCc1cc(C[C@@H]2C[C@H](NCc3ccco3)C2(C)C)no1 ZINC000067889876 432045512 /nfs/dbraw/zinc/04/55/12/432045512.db2.gz NEYBNJMHGGJKBW-WBMJQRKESA-N 0 3 304.390 3.161 40 0 biogenic,in-vitro DGABHN Cc1cc(C)cc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000006500838 181346803 /nfs/dbraw/zinc/34/68/03/181346803.db2.gz IVCXCGOXNLBOKU-IBGZPJMESA-N 0 3 311.425 3.101 40 0 DGABHN c1ccc(N2CCCC2)c(CN2CCC(c3cnccn3)CC2)c1 ZINC000257300116 203026083 /nfs/dbraw/zinc/02/60/83/203026083.db2.gz RSYLYNRISDKZTM-UHFFFAOYSA-N 0 3 322.456 3.456 40 0 DGABHN CN(C)Cc1ccnc([C@@H]2CCCN2C2CCCCCC2)n1 ZINC000257309594 203035199 /nfs/dbraw/zinc/03/51/99/203035199.db2.gz UBNGBKFGVSBJFH-KRWDZBQOSA-N 0 3 302.466 3.398 40 0 DGABHN CNc1cncc([C@H]2CCCN2Cc2cccc3[nH]ccc32)n1 ZINC000257294108 203019048 /nfs/dbraw/zinc/01/90/48/203019048.db2.gz QSMCMTHDQQBHFG-QGZVFWFLSA-N 0 3 307.401 3.337 40 0 DGABHN Cc1ccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cc1C ZINC000019214014 182107674 /nfs/dbraw/zinc/10/76/74/182107674.db2.gz QDJOSCBNVODECI-LJQANCHMSA-N 0 3 322.456 3.076 40 0 DGABHN c1cnc(-c2nnc([C@H]3CCCN3CC3CCCCC3)o2)cn1 ZINC000019403868 182121861 /nfs/dbraw/zinc/12/18/61/182121861.db2.gz XXBAKYDBKFBRMJ-OAHLLOKOSA-N 0 3 313.405 3.244 40 0 DGABHN CCC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C ZINC000019498867 182125692 /nfs/dbraw/zinc/12/56/92/182125692.db2.gz CHLCDXZFVUKRQT-SCTDSRPQSA-N 0 3 318.436 3.405 40 0 DGABHN CCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C ZINC000019498869 182126155 /nfs/dbraw/zinc/12/61/55/182126155.db2.gz XTALPJMFSLEXPA-ZHALLVOQSA-N 0 3 300.446 3.265 40 0 DGABHN CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1cccc(C)n1 ZINC000019527159 182128519 /nfs/dbraw/zinc/12/85/19/182128519.db2.gz ZOWGRWZPCTZBBJ-HXUWFJFHSA-N 0 3 324.472 3.272 40 0 DGABHN COc1ccc(CN2CCC(c3[nH]nc4ncccc43)CC2)cc1 ZINC000019555006 182130216 /nfs/dbraw/zinc/13/02/16/182130216.db2.gz IUPBIIKVLFIVFN-UHFFFAOYSA-N 0 3 322.412 3.346 40 0 DGABHN Cc1cc(C)c2c(N[C@H]3CCN(Cc4ccccc4)C3)n[nH]c2n1 ZINC000019657292 182135545 /nfs/dbraw/zinc/13/55/45/182135545.db2.gz CVWGGTHKBKDURY-INIZCTEOSA-N 0 3 321.428 3.261 40 0 DGABHN CC(C)(C)OC(=O)NC[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000019796207 182150878 /nfs/dbraw/zinc/15/08/78/182150878.db2.gz BJJBEYFFWYLMAJ-NSHDSACASA-N 0 3 304.312 3.230 40 0 DGABHN CC(C)(C)OC(=O)NC[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000019796205 182151088 /nfs/dbraw/zinc/15/10/88/182151088.db2.gz BJJBEYFFWYLMAJ-LLVKDONJSA-N 0 3 304.312 3.230 40 0 DGABHN CN1Cc2cnn(CC3CCCC3)c2[C@@H](COCC2CC2)C1 ZINC000105134929 194078075 /nfs/dbraw/zinc/07/80/75/194078075.db2.gz RQPYPJAUMAPCDD-QGZVFWFLSA-N 0 3 303.450 3.029 40 0 DGABHN Cc1nc(I)ccc1[C@H](N)c1ccccc1 ZINC000072219687 257124495 /nfs/dbraw/zinc/12/44/95/257124495.db2.gz PPFQYBZIWUJUNX-CYBMUJFWSA-N 0 3 324.165 3.043 40 0 DGABHN C[C@@H]1CN([C@H](CN)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000020549078 257130265 /nfs/dbraw/zinc/13/02/65/257130265.db2.gz XFLUILIYAOXTNV-ISTVAULSSA-N 0 3 303.233 3.102 40 0 DGABHN CC(C)[C@@H](N)c1nnc2ccc(-c3ccc(Cl)cc3)nn21 ZINC000217564962 257131632 /nfs/dbraw/zinc/13/16/32/257131632.db2.gz KLIRRSWHSMOOTP-CQSZACIVSA-N 0 3 301.781 3.101 40 0 DGABHN c1coc(CN2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)c1 ZINC000585105190 400125601 /nfs/dbraw/zinc/12/56/01/400125601.db2.gz PUSPZYFPGUQSSX-KRWDZBQOSA-N 0 3 319.445 3.467 40 0 DGABHN Cc1ccc(CN[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cc1 ZINC000585289717 400132107 /nfs/dbraw/zinc/13/21/07/400132107.db2.gz VYWXCNZKYVKGKI-XUVXKRRUSA-N 0 3 311.425 3.446 40 0 DGABHN COc1ccc(C(=O)[C@H]2SC(=N)N[C@H]2c2ccccc2)cc1 ZINC000003019702 286290897 /nfs/dbraw/zinc/29/08/97/286290897.db2.gz ZCHDLPRNEZDIPX-HOCLYGCPSA-N 0 3 312.394 3.049 40 0 DGABHN CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1nccc2ccccc21 ZINC000257274539 277070792 /nfs/dbraw/zinc/07/07/92/277070792.db2.gz NLMLFBSEYSOVDD-PXNSSMCTSA-N 0 3 323.440 3.324 40 0 DGABHN Cc1cccc(C)c1N(CCCc1cccnc1)C(=O)[C@@H](C)N ZINC000000004776 431112115 /nfs/dbraw/zinc/11/21/15/431112115.db2.gz YYGZCHLVUTUNGZ-MRXNPFEDSA-N 0 3 311.429 3.011 40 0 in-man DGABHN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)c(F)c2)[C@H](N)C1 ZINC000071790651 431286414 /nfs/dbraw/zinc/28/64/14/431286414.db2.gz SHDNLRJVAIEXBN-BXUZGUMPSA-N 0 3 312.360 3.017 40 0 DGABHN CC(C)N1CC[C@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000072352558 431334601 /nfs/dbraw/zinc/33/46/01/431334601.db2.gz WVOFRTHJJPNJRE-LBPRGKRZSA-N 0 3 317.458 3.196 40 0 DGABHN CCOc1c(CNCCc2ccc(OC)cc2)cccc1OC ZINC000008253469 431386769 /nfs/dbraw/zinc/38/67/69/431386769.db2.gz HLYJKPDATFTQPR-UHFFFAOYSA-N 0 3 315.413 3.435 40 0 DGABHN C[C@@H](O)CNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000008535067 431399292 /nfs/dbraw/zinc/39/92/92/431399292.db2.gz VSTUUGBYVXJIAQ-CYBMUJFWSA-N 0 3 305.805 3.389 40 0 DGABHN CC[C@@H](CN1CCCCC1)NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000012239823 431498237 /nfs/dbraw/zinc/49/82/37/431498237.db2.gz QSPPFDFBIDWRDF-KRWDZBQOSA-N 0 3 318.436 3.238 40 0 DGABHN Fc1ccccc1CN1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000022575349 431635623 /nfs/dbraw/zinc/63/56/23/431635623.db2.gz MPKNCPVSEPNVPJ-JZXOWHBKSA-N 0 3 300.421 3.156 40 0 DGABHN CCN1C(=O)CC[C@@]12CCCN(Cc1ccc(F)cc1)CC2 ZINC000096047500 431935010 /nfs/dbraw/zinc/93/50/10/431935010.db2.gz WBJJLSPIWNQYGC-GOSISDBHSA-N 0 3 304.409 3.193 40 0 DGABHN Cn1cc([C@@H]2COC3(C2)CCN(Cc2ccsc2)CC3)cn1 ZINC000096047791 431935754 /nfs/dbraw/zinc/93/57/54/431935754.db2.gz NASVUBBNQQPRPN-HNNXBMFYSA-N 0 3 317.458 3.020 40 0 DGABHN c1csc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096047144 431936024 /nfs/dbraw/zinc/93/60/24/431936024.db2.gz GYKZWRDUHCVUNX-KRWDZBQOSA-N 0 3 314.458 3.031 40 0 DGABHN CCCc1nnc([C@H]2CCN(Cc3ccc(OC)cc3)C2)o1 ZINC000049170267 431937385 /nfs/dbraw/zinc/93/73/85/431937385.db2.gz OHOCCLAHNQHKJC-AWEZNQCLSA-N 0 3 301.390 3.020 40 0 biogenic,in-vitro DGABHN CC(C)CN1c2ccccc2[C@@]2(CCN(Cc3ccoc3)C2)C1=O ZINC000096100297 431937585 /nfs/dbraw/zinc/93/75/85/431937585.db2.gz LZQLLFRNPORNGT-FQEVSTJZSA-N 0 3 324.424 3.426 40 0 DGABHN CN1C[C@@H](c2ccccc2)C2(CCN(Cc3ccco3)CC2)C1=O ZINC000096100279 431937910 /nfs/dbraw/zinc/93/79/10/431937910.db2.gz IIGPUBGFLMPJLK-SFHVURJKSA-N 0 3 324.424 3.118 40 0 DGABHN Cc1ccc(CN2CC[C@@]3(c4ccccc4)CCN(C)[C@@H]3C2)o1 ZINC000096100378 431938052 /nfs/dbraw/zinc/93/80/52/431938052.db2.gz KPSAMBPHSBLLJS-WOJBJXKFSA-N 0 3 310.441 3.436 40 0 DGABHN Cc1nc(CN2CCC23CCN(Cc2ccco2)CC3)cs1 ZINC000096077987 431938199 /nfs/dbraw/zinc/93/81/99/431938199.db2.gz OJGBNSCYLAYFCP-UHFFFAOYSA-N 0 3 317.458 3.285 40 0 DGABHN Cc1ccc(CN2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)o1 ZINC000096249228 431944154 /nfs/dbraw/zinc/94/41/54/431944154.db2.gz GXHKPNLWTZSUHT-ZBFHGGJFSA-N 0 3 317.458 3.141 40 0 DGABHN FC(F)(F)c1cccc(-c2ccc(N3CCNCC3)nc2)c1 ZINC000049917066 431944389 /nfs/dbraw/zinc/94/43/89/431944389.db2.gz UQDMUQWHCOMEPU-UHFFFAOYSA-N 0 3 307.319 3.177 40 0 DGABHN Cn1cncc1CN1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257212879 432417643 /nfs/dbraw/zinc/41/76/43/432417643.db2.gz CFHNTRVYKONZPD-OAHLLOKOSA-N 0 3 306.413 3.033 40 0 DGABHN Cc1c[nH]c([C@H]2CCN(Cc3cnc(-c4ccccc4)nc3)C2)n1 ZINC000257206640 432418917 /nfs/dbraw/zinc/41/89/17/432418917.db2.gz BEIVUIUTKDVQRA-KRWDZBQOSA-N 0 3 319.412 3.165 40 0 DGABHN CO[C@H]1CN(Cc2ccc3ncccc3c2)CC[C@@]12CCCO2 ZINC000257224613 432419818 /nfs/dbraw/zinc/41/98/18/432419818.db2.gz FCODWWYUNUYQLB-OALUTQOASA-N 0 3 312.413 3.005 40 0 DGABHN c1ccc(N2CCCC2)c(CN2CCC[C@@H](c3cnccn3)C2)c1 ZINC000257248849 432423334 /nfs/dbraw/zinc/42/33/34/432423334.db2.gz JFMSYOCOTBTENN-QGZVFWFLSA-N 0 3 322.456 3.456 40 0 DGABHN Cc1ccc(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)c(Cl)c1 ZINC000225003099 432685574 /nfs/dbraw/zinc/68/55/74/432685574.db2.gz RYOGOAXTUGAWAZ-KBPBESRZSA-N 0 3 308.853 3.356 40 0 DGABHN Cc1cccc(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000225219711 432687622 /nfs/dbraw/zinc/68/76/22/432687622.db2.gz XIKJZCIZAXNCAY-INIZCTEOSA-N 0 3 302.462 3.368 40 0 DGABHN CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3)NCCC[C@@H]12 ZINC000228975090 546271146 /nfs/dbraw/zinc/27/11/46/546271146.db2.gz XRRQIGUDVJTTIW-CRAIPNDOSA-N 0 3 302.418 3.275 40 0 DGABHN COCCN1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358497 191130482 /nfs/dbraw/zinc/13/04/82/191130482.db2.gz XCHQKRHWJZKLBQ-HNNXBMFYSA-N 0 3 315.392 3.109 40 0 DGABHN CN1CCC[C@H](c2cncc(NCc3cccc(F)c3)n2)C1 ZINC000072365085 191134118 /nfs/dbraw/zinc/13/41/18/191134118.db2.gz CYCYJDNIBGFDCU-AWEZNQCLSA-N 0 3 300.381 3.037 40 0 DGABHN COCCN1CCC[C@@H](c2nc(C)n3c(C)c(C)sc23)C1 ZINC000072367890 191137060 /nfs/dbraw/zinc/13/70/60/191137060.db2.gz KRWZZINXSUTSAJ-CQSZACIVSA-N 0 3 307.463 3.147 40 0 DGABHN COc1ccc(CNCc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000004160540 181079899 /nfs/dbraw/zinc/07/98/99/181079899.db2.gz UWPCUUPADXTCLU-UHFFFAOYSA-N 0 3 308.381 3.135 40 0 DGABHN CN1CCC(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000074921025 191388480 /nfs/dbraw/zinc/38/84/80/191388480.db2.gz XIQFYLDJTWHUPY-UHFFFAOYSA-N 0 3 300.324 3.376 40 0 DGABHN Cc1ccnc([C@@H]2CCN(Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257310615 203033580 /nfs/dbraw/zinc/03/35/80/203033580.db2.gz UFWYMIDBFGHKRE-MRXNPFEDSA-N 0 3 319.412 3.165 40 0 DGABHN CNc1cncc([C@@H]2CCCN2Cc2cccc3[nH]ccc32)n1 ZINC000257294107 203019725 /nfs/dbraw/zinc/01/97/25/203019725.db2.gz QSMCMTHDQQBHFG-KRWDZBQOSA-N 0 3 307.401 3.337 40 0 DGABHN c1cc(C[C@@H]2CCCN(Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000257293640 203019865 /nfs/dbraw/zinc/01/98/65/203019865.db2.gz QQNASELKMJNESL-HNNXBMFYSA-N 0 3 306.413 3.413 40 0 DGABHN Cc1cnc(CN2CC[C@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257339493 203062284 /nfs/dbraw/zinc/06/22/84/203062284.db2.gz ZBZAUJLXLRHTJZ-MRXNPFEDSA-N 0 3 318.424 3.398 40 0 DGABHN CC(=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 ZINC000019021230 182103768 /nfs/dbraw/zinc/10/37/68/182103768.db2.gz OTWGSCNMGJYNLO-UHFFFAOYSA-N 0 3 318.436 3.238 40 0 DGABHN CCOc1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019533412 182129123 /nfs/dbraw/zinc/12/91/23/182129123.db2.gz JIXSFUNCBMVJAV-RBUKOAKNSA-N 0 3 315.388 3.497 40 0 DGABHN CCCN1CCCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219358 257123997 /nfs/dbraw/zinc/12/39/97/257123997.db2.gz LQRABXXODMBFIZ-QGZVFWFLSA-N 0 3 303.450 3.164 40 0 DGABHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2ccccc2)C1 ZINC000068593201 431136958 /nfs/dbraw/zinc/13/69/58/431136958.db2.gz XCMHWWZDAXHISG-GDBMZVCRSA-N 0 3 304.434 3.422 40 0 DGABHN CN1CC[C@@]2(CCCN(Cc3ccccc3Cl)CC2)C1=O ZINC000108533211 431145311 /nfs/dbraw/zinc/14/53/11/431145311.db2.gz GAHGJNMQYSKQME-QGZVFWFLSA-N 0 3 306.837 3.174 40 0 DGABHN O=C(C[C@H](c1ccccc1)N1CCCCC1)OC[C@H]1CCCO1 ZINC000001569392 431228104 /nfs/dbraw/zinc/22/81/04/431228104.db2.gz JPWQZUQDQORRCQ-QZTJIDSGSA-N 0 3 317.429 3.326 40 0 DGABHN CCOc1ccc(CNCc2ccc(OC)cc2)cc1OC ZINC000007538510 431353035 /nfs/dbraw/zinc/35/30/35/431353035.db2.gz KGQCUWKQRPXBEH-UHFFFAOYSA-N 0 3 301.386 3.392 40 0 DGABHN COC(=O)c1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1 ZINC000007538909 431353491 /nfs/dbraw/zinc/35/34/91/431353491.db2.gz SVZFMPFNBBHWHO-HNNXBMFYSA-N 0 3 315.369 3.002 40 0 DGABHN COCCNCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000008469238 431399422 /nfs/dbraw/zinc/39/94/22/431399422.db2.gz OASDSMDHGXDJIW-UHFFFAOYSA-N 0 3 319.376 3.149 40 0 DGABHN COc1ccc(C2CCN(Cc3ccncc3)CC2)cc1OC ZINC000012113967 431491667 /nfs/dbraw/zinc/49/16/67/431491667.db2.gz CFBMOTROPCPEHB-UHFFFAOYSA-N 0 3 312.413 3.478 40 0 DGABHN COc1ccc(/C=C/C2=CCN(C)CC2)cc1Cn1cccn1 ZINC000012143037 431493169 /nfs/dbraw/zinc/49/31/69/431493169.db2.gz GJMUGZJKOKRYHP-SNAWJCMRSA-N 0 3 309.413 3.215 40 0 DGABHN CC1CCN([C@@H](CN)c2ccccc2OC(F)(F)F)CC1 ZINC000020016658 431623602 /nfs/dbraw/zinc/62/36/02/431623602.db2.gz LDSVURVHZNNSHU-ZDUSSCGKSA-N 0 3 302.340 3.317 40 0 DGABHN CCN(CC)CCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000022108723 431633221 /nfs/dbraw/zinc/63/32/21/431633221.db2.gz UVPIQTZTYCDCPE-HNNXBMFYSA-N 0 3 316.445 3.431 40 0 DGABHN CC(=O)N1CCc2ccccc2[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000031750737 431763198 /nfs/dbraw/zinc/76/31/98/431763198.db2.gz AVKSIFQMKNTASD-WOJBJXKFSA-N 0 3 306.409 3.019 40 0 DGABHN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(CN)cn1 ZINC000037593681 431848356 /nfs/dbraw/zinc/84/83/56/431848356.db2.gz UHNNGDBVHLMPFM-UHFFFAOYSA-N 0 3 323.393 3.217 40 0 DGABHN Cc1cccc(CN2CC[C@@]3(CCN(Cc4ccco4)C3)C2=O)c1 ZINC000096050560 431935223 /nfs/dbraw/zinc/93/52/23/431935223.db2.gz HBGXOYYQNHVLJF-HXUWFJFHSA-N 0 3 324.424 3.213 40 0 DGABHN CC(C)N1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169787 431936770 /nfs/dbraw/zinc/93/67/70/431936770.db2.gz CQJIGEISZRJJJL-ZDUSSCGKSA-N 0 3 310.401 3.339 40 0 biogenic,in-vitro DGABHN c1cc(CN2CCC3(C[C@@H](OCC4CCC4)CO3)CC2)co1 ZINC000096106949 431938962 /nfs/dbraw/zinc/93/89/62/431938962.db2.gz OXLWRABQIDFKSU-QGZVFWFLSA-N 0 3 305.418 3.220 40 0 DGABHN Cn1cncc1CN1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257212878 432418883 /nfs/dbraw/zinc/41/88/83/432418883.db2.gz CFHNTRVYKONZPD-HNNXBMFYSA-N 0 3 306.413 3.033 40 0 DGABHN Cn1cc(CN2CC[C@@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257239813 432423444 /nfs/dbraw/zinc/42/34/44/432423444.db2.gz HQXNUBLCMXLFDR-HNNXBMFYSA-N 0 3 306.413 3.033 40 0 DGABHN CC[C@@H](CO)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000008326346 545648552 /nfs/dbraw/zinc/64/85/52/545648552.db2.gz DMOGGRMOHHPXAC-KRWDZBQOSA-N 0 3 315.413 3.135 40 0 DGABHN COCC[C@H]1Cn2cccc2CN(Cc2ccc(OC)cc2)C1 ZINC000585094670 547025342 /nfs/dbraw/zinc/02/53/42/547025342.db2.gz YBTWMQLZAQNABW-QGZVFWFLSA-N 0 3 314.429 3.165 40 0 DGABHN C[C@@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000072203962 191076343 /nfs/dbraw/zinc/07/63/43/191076343.db2.gz ICKLJMZYXGJZHD-KGLIPLIRSA-N 0 3 305.422 3.132 40 0 DGABHN Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2CC(C)C)n1 ZINC000072363454 191131247 /nfs/dbraw/zinc/13/12/47/191131247.db2.gz BWUWOQYDXHSMFZ-OAHLLOKOSA-N 0 3 312.421 3.112 40 0 DGABHN COCCN1CCC[C@H](c2nc(C)n3c(C)c(C)sc23)C1 ZINC000072367891 191137279 /nfs/dbraw/zinc/13/72/79/191137279.db2.gz KRWZZINXSUTSAJ-AWEZNQCLSA-N 0 3 307.463 3.147 40 0 DGABHN Cc1nc(CN2CC[C@H](c3cc(N(C)C)cc(C)n3)C2)cs1 ZINC000072386119 191144742 /nfs/dbraw/zinc/14/47/42/191144742.db2.gz KIVLZQNQZQPKLH-AWEZNQCLSA-N 0 3 316.474 3.210 40 0 DGABHN Fc1ccccc1CN1CC[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000072389900 191148333 /nfs/dbraw/zinc/14/83/33/191148333.db2.gz SXYYLNQQSPRWCL-OAHLLOKOSA-N 0 3 324.359 3.260 40 0 DGABHN O[C@H](COc1ccc(Cl)cc1Cl)CN1CCCCC1 ZINC000004914856 181172462 /nfs/dbraw/zinc/17/24/62/181172462.db2.gz JQTXDVVWEIKREC-LBPRGKRZSA-N 0 3 304.217 3.219 40 0 DGABHN CC1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000005485630 181248429 /nfs/dbraw/zinc/24/84/29/181248429.db2.gz DUKBNTKUKOGNDE-CYBMUJFWSA-N 0 3 318.244 3.465 40 0 DGABHN CC1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000005485625 181248646 /nfs/dbraw/zinc/24/86/46/181248646.db2.gz DUKBNTKUKOGNDE-ZDUSSCGKSA-N 0 3 318.244 3.465 40 0 DGABHN COc1ccc2[nH]c(CN3CCC[C@@H](c4cnccn4)C3)cc2c1 ZINC000257298837 203023404 /nfs/dbraw/zinc/02/34/04/203023404.db2.gz RNLPCNDVNGMJQY-CQSZACIVSA-N 0 3 322.412 3.346 40 0 DGABHN Cc1ncsc1CN1CC[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257299633 203024204 /nfs/dbraw/zinc/02/42/04/203024204.db2.gz RQWIMAYSBUVTQB-CQSZACIVSA-N 0 3 316.474 3.210 40 0 DGABHN Cc1cnc([C@H]2CCCN(C(=O)CN3CCCCCC3)C2)s1 ZINC000257282742 203009979 /nfs/dbraw/zinc/00/99/79/203009979.db2.gz OVCKSESAHHWLHR-HNNXBMFYSA-N 0 3 321.490 3.034 40 0 DGABHN Cc1ccnc([C@H]2CCN(Cc3cn(C)c4ccc(F)cc34)C2)n1 ZINC000257311976 203037546 /nfs/dbraw/zinc/03/75/46/203037546.db2.gz ULWASCXAOXPXQG-AWEZNQCLSA-N 0 3 324.403 3.405 40 0 DGABHN Cc1cnc(CN2CC[C@@H](Cc3ccnc4ccccc34)C2)cn1 ZINC000257339492 203060818 /nfs/dbraw/zinc/06/08/18/203060818.db2.gz ZBZAUJLXLRHTJZ-INIZCTEOSA-N 0 3 318.424 3.398 40 0 DGABHN CCCCn1cc(CN2CC[C@@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257337654 203061280 /nfs/dbraw/zinc/06/12/80/203061280.db2.gz YTTWLHQGOBQBFL-OAHLLOKOSA-N 0 3 301.438 3.013 40 0 DGABHN CCOC[C@@H]1CCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000093838872 193315033 /nfs/dbraw/zinc/31/50/33/193315033.db2.gz YQITYADVKKDJCA-QGZVFWFLSA-N 0 3 313.445 3.348 40 0 DGABHN Cc1csc([C@H](Cc2cccs2)NC[C@H]2CCOC2)n1 ZINC000019240065 182111703 /nfs/dbraw/zinc/11/17/03/182111703.db2.gz AYVYFHARSMCODH-OCCSQVGLSA-N 0 3 308.472 3.423 40 0 DGABHN O[C@@H](CN1CCC(Oc2ccc(F)cc2)CC1)c1cccs1 ZINC000019342951 182116713 /nfs/dbraw/zinc/11/67/13/182116713.db2.gz HWAHNLSMFPSBDJ-INIZCTEOSA-N 0 3 321.417 3.464 40 0 DGABHN O[C@@H](CN1CCC(Oc2ccccc2F)CC1)c1cccs1 ZINC000019350150 182117546 /nfs/dbraw/zinc/11/75/46/182117546.db2.gz XJJRJFTXNRSWDR-HNNXBMFYSA-N 0 3 321.417 3.464 40 0 DGABHN c1csc(-c2noc([C@H]3CCN(Cc4ccncc4)C3)n2)c1 ZINC000019344691 182117742 /nfs/dbraw/zinc/11/77/42/182117742.db2.gz TUHRXCRCCADABU-ZDUSSCGKSA-N 0 3 312.398 3.183 40 0 DGABHN Cc1oc2c(c1C(=O)N(C)CCN1CCCCC1)CCCC2 ZINC000019657142 182134874 /nfs/dbraw/zinc/13/48/74/182134874.db2.gz GBSAREGGMQWCEO-UHFFFAOYSA-N 0 3 304.434 3.025 40 0 DGABHN CC(C)(C)OC(=O)N1[C@H]([C@H](N)c2ccccc2)COC1(C)C ZINC000072208808 257128301 /nfs/dbraw/zinc/12/83/01/257128301.db2.gz OEXNURJONFKAOX-UONOGXRCSA-N 0 3 306.406 3.058 40 0 DGABHN CO[C@@H]1CC2(CCN([C@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241660 285618757 /nfs/dbraw/zinc/61/87/57/285618757.db2.gz VYRVGMIVYHDGCN-WMLDXEAASA-N 0 3 305.393 3.039 40 0 DGABHN CCOCC[C@H]1CCOC12CCN(Cc1ccc(C)o1)CC2 ZINC000585105266 400125091 /nfs/dbraw/zinc/12/50/91/400125091.db2.gz RSDAQPBDMZXKTP-INIZCTEOSA-N 0 3 307.434 3.386 40 0 DGABHN CCOc1ccccc1C(=O)N1CC[C@H]2[C@H]1CCCCCN2C ZINC000019712501 400186847 /nfs/dbraw/zinc/18/68/47/400186847.db2.gz TZSDVRCZCPWWRU-DLBZAZTESA-N 0 3 316.445 3.174 40 0 DGABHN CN1C(=O)C2(CCN(Cc3ccco3)CC2)[C@H]1c1ccccc1 ZINC000096100232 277006153 /nfs/dbraw/zinc/00/61/53/277006153.db2.gz VRYZAROQKVDXOP-QGZVFWFLSA-N 0 3 310.397 3.075 40 0 DGABHN O=C(c1ccccc1)C(CN1CCCCC1)CN1CCCCC1 ZINC000001671259 431234999 /nfs/dbraw/zinc/23/49/99/431234999.db2.gz CQDHXQRPRMXIBF-UHFFFAOYSA-N 0 3 314.473 3.457 40 0 DGABHN CC(C)C(=O)O[C@H]1c2cc(OCCN(C)C)ccc2C[C@@H]1C ZINC000001668197 431237443 /nfs/dbraw/zinc/23/74/43/431237443.db2.gz MZHSSHXKQOTGOQ-SUMWQHHRSA-N 0 3 305.418 3.060 40 0 DGABHN CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000072055234 431329754 /nfs/dbraw/zinc/32/97/54/431329754.db2.gz DGHQYUQGNVQNJZ-AWEZNQCLSA-N 0 3 306.425 3.198 40 0 DGABHN Cc1cccc(NC(=S)NC[C@@H]2CCCN(C)C2)c1Cl ZINC000009876198 431446514 /nfs/dbraw/zinc/44/65/14/431446514.db2.gz NQWAJPSIGQGFEG-LBPRGKRZSA-N 0 3 311.882 3.277 40 0 DGABHN Cc1oc2ccc(O)cc2c1C(=O)N(C)CCN1CCCCC1 ZINC000012206147 431496633 /nfs/dbraw/zinc/49/66/33/431496633.db2.gz SAYBCNXSYHNXFG-UHFFFAOYSA-N 0 3 316.401 3.005 40 0 DGABHN CC[C@@H](CN1CCCCC1)NC(=O)C1(c2ccccc2F)CC1 ZINC000012362950 431502565 /nfs/dbraw/zinc/50/25/65/431502565.db2.gz KYLHNZHXPCDRIU-HNNXBMFYSA-N 0 3 318.436 3.238 40 0 DGABHN C[C@@H]1CN([C@@H](CN)c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000021809531 288246546 /nfs/dbraw/zinc/24/65/46/288246546.db2.gz SUZPBBSUTBAACQ-RBZYPMLTSA-N 0 3 303.233 3.102 40 0 DGABHN Cc1cnc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cn1 ZINC000035311234 431830716 /nfs/dbraw/zinc/83/07/16/431830716.db2.gz JNKUAIBSNNDFEW-UHFFFAOYSA-N 0 3 310.401 3.023 40 0 DGABHN Cc1ccsc1CN1CC[C@H]2O[C@@H](c3nc(C)no3)CC[C@H]21 ZINC000096041074 431935031 /nfs/dbraw/zinc/93/50/31/431935031.db2.gz RYWNQALFUFKYBL-MGPQQGTHSA-N 0 3 319.430 3.243 40 0 DGABHN O=C(c1ccsc1)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096046493 431935232 /nfs/dbraw/zinc/93/52/32/431935232.db2.gz IYNLRJCJUSNQPP-UHFFFAOYSA-N 0 3 318.467 3.158 40 0 DGABHN O=C1N(c2ccsc2)CC[C@]12CCCN(Cc1ccco1)C2 ZINC000096048734 431935482 /nfs/dbraw/zinc/93/54/82/431935482.db2.gz ZUSCJDVHLLVCDD-KRWDZBQOSA-N 0 3 316.426 3.360 40 0 DGABHN CCN(CC)Cc1cncc2c1CCN(Cc1cccc(C)n1)C2 ZINC000096067399 431937077 /nfs/dbraw/zinc/93/70/77/431937077.db2.gz NILMAEKPHQFKIR-UHFFFAOYSA-N 0 3 324.472 3.185 40 0 DGABHN c1ccc(Cc2nnc([C@H]3CCN(Cc4cccnc4)C3)o2)cc1 ZINC000049169853 431937173 /nfs/dbraw/zinc/93/71/73/431937173.db2.gz RIQDUHPUKCGYDL-KRWDZBQOSA-N 0 3 320.396 3.045 40 0 biogenic,in-vitro DGABHN CN1C(=O)C[C@H](c2ccccc2)C12CCN(Cc1ccco1)CC2 ZINC000096061428 431937212 /nfs/dbraw/zinc/93/72/12/431937212.db2.gz FRVHZOKTRBPGRV-GOSISDBHSA-N 0 3 324.424 3.260 40 0 DGABHN c1coc(CN2CCC3(CO[C@@H](COCC4CC4)C3)CC2)c1 ZINC000096105960 431939224 /nfs/dbraw/zinc/93/92/24/431939224.db2.gz ZTUFAJAXGJYCTM-QGZVFWFLSA-N 0 3 305.418 3.077 40 0 DGABHN c1ccc(CN2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cc1 ZINC000096187123 431941363 /nfs/dbraw/zinc/94/13/63/431941363.db2.gz IJXBWPQXGOHGED-AABGKKOBSA-N 0 3 324.424 3.030 40 0 DGABHN Cc1ccc(CN2CCC3(CCCN3C(=O)C(C)C)CC2)o1 ZINC000096227866 431942830 /nfs/dbraw/zinc/94/28/30/431942830.db2.gz YYVGHWPPWFSAKJ-UHFFFAOYSA-N 0 3 304.434 3.201 40 0 DGABHN Cc1ccc(CN2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)o1 ZINC000096249227 431944127 /nfs/dbraw/zinc/94/41/27/431944127.db2.gz GXHKPNLWTZSUHT-GDBMZVCRSA-N 0 3 317.458 3.141 40 0 DGABHN c1ccc2c(c1)C=C(CN1CCC(c3cnccn3)CC1)CO2 ZINC000257209569 432417498 /nfs/dbraw/zinc/41/74/98/432417498.db2.gz BQWYBQYYSVPPKN-UHFFFAOYSA-N 0 3 307.397 3.132 40 0 DGABHN CC(C)Oc1ccc([C@H]2CNCCN2Cc2cccnc2)cc1 ZINC000257207692 432418156 /nfs/dbraw/zinc/41/81/56/432418156.db2.gz BIUCJHBDUOOYPC-LJQANCHMSA-N 0 3 311.429 3.015 40 0 DGABHN CC(=O)NCc1cc([C@@H]2CCCN2Cc2cccs2)ccn1 ZINC000257231632 432419795 /nfs/dbraw/zinc/41/97/95/432419795.db2.gz GHOSGNHDPKPOCD-KRWDZBQOSA-N 0 3 315.442 3.116 40 0 DGABHN COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2)cc1 ZINC000257304155 432424646 /nfs/dbraw/zinc/42/46/46/432424646.db2.gz SKGYLQZVODAXSD-INIZCTEOSA-N 0 3 312.417 3.033 40 0 DGABHN CCOc1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000459747148 434695786 /nfs/dbraw/zinc/69/57/86/434695786.db2.gz GZIRIFRHICZCST-RBUKOAKNSA-N 0 3 303.446 3.458 40 0 DGABHN O=C1c2ccccc2CCN1C1CCN(Cc2ccccc2)CC1 ZINC000146954406 545986937 /nfs/dbraw/zinc/98/69/37/545986937.db2.gz OPXOZAGFWUHNBL-UHFFFAOYSA-N 0 3 320.436 3.350 40 0 DGABHN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](N)C(C)C ZINC000079420380 185170584 /nfs/dbraw/zinc/17/05/84/185170584.db2.gz LWDOASLJBLCVNY-ZDUSSCGKSA-N 0 3 303.233 3.325 40 0 DGABHN CCN(Cc1cc(Cl)ccc1Cl)C(=O)[C@@H](N)C(C)C ZINC000079420368 185170901 /nfs/dbraw/zinc/17/09/01/185170901.db2.gz HHEVAFQSDTYFPV-ZDUSSCGKSA-N 0 3 303.233 3.325 40 0 DGABHN C[C@@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1nccs1 ZINC000072203975 191075947 /nfs/dbraw/zinc/07/59/47/191075947.db2.gz JDHIYJVEFBSJLC-LLVKDONJSA-N 0 3 311.451 3.193 40 0 DGABHN C[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccn1 ZINC000072203888 191076412 /nfs/dbraw/zinc/07/64/12/191076412.db2.gz OQBKQIPWYLIFHE-ZDUSSCGKSA-N 0 3 305.422 3.132 40 0 DGABHN Cc1nc(CN2CC[C@@H](c3cc(N(C)C)cc(C)n3)C2)cs1 ZINC000072386118 191144766 /nfs/dbraw/zinc/14/47/66/191144766.db2.gz KIVLZQNQZQPKLH-CQSZACIVSA-N 0 3 316.474 3.210 40 0 DGABHN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1CCN(C)CC1 ZINC000174773487 295834719 /nfs/dbraw/zinc/83/47/19/295834719.db2.gz OVEKEHTULRJJKX-HNNXBMFYSA-N 0 3 302.462 3.201 40 0 DGABHN Cc1cc(C[C@@H]2CCC[C@H]2NCc2nc3ccccc3[nH]2)on1 ZINC000072395107 191149917 /nfs/dbraw/zinc/14/99/17/191149917.db2.gz DYXCTXYZARFANU-DZGCQCFKSA-N 0 3 310.401 3.360 40 0 DGABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000257298327 203023917 /nfs/dbraw/zinc/02/39/17/203023917.db2.gz RLFONUWYJHALKW-DEYWJSPQSA-N 0 3 323.440 3.255 40 0 DGABHN c1cc(C[C@H]2CCCN(Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000257293641 203018201 /nfs/dbraw/zinc/01/82/01/203018201.db2.gz QQNASELKMJNESL-OAHLLOKOSA-N 0 3 306.413 3.413 40 0 DGABHN Cc1ccnc([C@H]2CCN(Cc3ccccc3N3CCCC3)C2)n1 ZINC000257316468 203040396 /nfs/dbraw/zinc/04/03/96/203040396.db2.gz VFTCQWSQHMEZGM-SFHVURJKSA-N 0 3 322.456 3.375 40 0 DGABHN C[C@H](O)CNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000008497937 181560070 /nfs/dbraw/zinc/56/00/70/181560070.db2.gz VSTUUGBYVXJIAQ-ZDUSSCGKSA-N 0 3 305.805 3.389 40 0 DGABHN O=C(c1ccccc1)[C@](O)(CN1CCCCC1)c1ccccc1 ZINC000017299238 182081584 /nfs/dbraw/zinc/08/15/84/182081584.db2.gz ZYMMGYFMZMBYCB-FQEVSTJZSA-N 0 3 309.409 3.243 40 0 DGABHN Cn1nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019289492 182112827 /nfs/dbraw/zinc/11/28/27/182112827.db2.gz PMXFPJSMHSGDCN-OAHLLOKOSA-N 0 3 324.403 3.487 40 0 DGABHN CCOc1ccc(CN(CCN(C)C)Cc2ccncc2)cc1 ZINC000022913751 182339964 /nfs/dbraw/zinc/33/99/64/182339964.db2.gz GELWMSNQRCHHAD-UHFFFAOYSA-N 0 3 313.445 3.044 40 0 DGABHN CCc1ccc2occ(CC(=O)N(C)C3CCN(C)CC3)c2c1 ZINC000039893224 183022631 /nfs/dbraw/zinc/02/26/31/183022631.db2.gz RIMXEFAMHXAYPV-UHFFFAOYSA-N 0 3 314.429 3.090 40 0 DGABHN Cc1cc(I)ncc1[C@H](N)c1ccccc1 ZINC000072225992 257123557 /nfs/dbraw/zinc/12/35/57/257123557.db2.gz FROLARMPWFYLPU-CYBMUJFWSA-N 0 3 324.165 3.043 40 0 DGABHN C[C@@H]1CN([C@H](CN)c2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000021809533 257130055 /nfs/dbraw/zinc/13/00/55/257130055.db2.gz SUZPBBSUTBAACQ-GPCCPHFNSA-N 0 3 303.233 3.102 40 0 DGABHN N[C@H](c1nc(CNc2ccccc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533969 257137448 /nfs/dbraw/zinc/13/74/48/257137448.db2.gz JDUQUEIQXJGJGP-HNNXBMFYSA-N 0 3 313.792 3.118 40 0 DGABHN c1ccc(CO[C@@H]2CSC3(CN(C4CCCC4)C3)C2)nc1 ZINC000585105402 400125949 /nfs/dbraw/zinc/12/59/49/400125949.db2.gz WAMCRSJBWCRCPR-INIZCTEOSA-N 0 3 304.459 3.101 40 0 DGABHN O=C(Nc1nc([C@@H]2CCCN2)cs1)c1cccc(Cl)c1 ZINC000585266816 400131074 /nfs/dbraw/zinc/13/10/74/400131074.db2.gz QDQCZBJXMBFPFR-NSHDSACASA-N 0 3 307.806 3.473 40 0 DGABHN Cc1ccc2c(c1)CN(Cc1ccsc1)[C@H](CN(C)C)CO2 ZINC000072395303 292326197 /nfs/dbraw/zinc/32/61/97/292326197.db2.gz YGDOXZIXIRFOGW-QGZVFWFLSA-N 0 3 316.470 3.381 40 0 DGABHN c1cncc(CO[C@H]2CSC3(CN(C4CCCC4)C3)C2)c1 ZINC000247918859 432255160 /nfs/dbraw/zinc/25/51/60/432255160.db2.gz ZZPGZJVJQKMHKG-MRXNPFEDSA-N 0 3 304.459 3.101 40 0 DGABHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2ccccc2)C1 ZINC000068593190 431134713 /nfs/dbraw/zinc/13/47/13/431134713.db2.gz XCMHWWZDAXHISG-ZBFHGGJFSA-N 0 3 304.434 3.422 40 0 DGABHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2ccccc2)C1 ZINC000068593204 431134961 /nfs/dbraw/zinc/13/49/61/431134961.db2.gz XCMHWWZDAXHISG-GOEBONIOSA-N 0 3 304.434 3.422 40 0 DGABHN COc1ccc(C(=O)[C@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000001665785 431236863 /nfs/dbraw/zinc/23/68/63/431236863.db2.gz GZANJSHFALBLSZ-GOSISDBHSA-N 0 3 313.397 3.232 40 0 DGABHN CC[C@H](CN1CCCCC1)NC(=O)C1(c2cccc(F)c2)CC1 ZINC000012362996 431504455 /nfs/dbraw/zinc/50/44/55/431504455.db2.gz SMYLKMAVONSAOQ-QGZVFWFLSA-N 0 3 318.436 3.238 40 0 DGABHN Cn1cc(CN2CCC[C@H](c3cc4ccccc4cn3)C2)cn1 ZINC000012337385 431504745 /nfs/dbraw/zinc/50/47/45/431504745.db2.gz LMAXCHXFKRBXBQ-SFHVURJKSA-N 0 3 306.413 3.348 40 0 DGABHN Cc1cc2cc(CNCc3ccccc3)c3nnnn3c2cc1C ZINC000013998122 431575322 /nfs/dbraw/zinc/57/53/22/431575322.db2.gz AUBIDMUFLJUJMP-UHFFFAOYSA-N 0 3 317.396 3.184 40 0 DGABHN Cc1ccc2cc(CNCc3cccs3)c3nnnn3c2c1C ZINC000013998112 431575596 /nfs/dbraw/zinc/57/55/96/431575596.db2.gz UKOFNXOSBCAODT-UHFFFAOYSA-N 0 3 323.425 3.246 40 0 DGABHN Clc1ccc(C2(N3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC000019332801 431620216 /nfs/dbraw/zinc/62/02/16/431620216.db2.gz HMCSKNFMERKUSC-UHFFFAOYSA-N 0 3 320.864 3.126 40 0 DGABHN CCN(CC)CCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000022108717 431633261 /nfs/dbraw/zinc/63/32/61/431633261.db2.gz UVPIQTZTYCDCPE-OAHLLOKOSA-N 0 3 316.445 3.431 40 0 DGABHN COc1ccc(-c2nc([C@@H](N)c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095533941 431926032 /nfs/dbraw/zinc/92/60/32/431926032.db2.gz VGXAKIHJKRPQQU-AWEZNQCLSA-N 0 3 314.776 3.182 40 0 DGABHN Cc1ccc(CN2CC[C@H]3C[C@H](c4ccnc(C)n4)O[C@@H]3C2)cc1 ZINC000096046155 431935068 /nfs/dbraw/zinc/93/50/68/431935068.db2.gz YYMDUOIGRXZJHW-DFQSSKMNSA-N 0 3 323.440 3.446 40 0 DGABHN CC[C@@H]1N(Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2C ZINC000096052419 431936471 /nfs/dbraw/zinc/93/64/71/431936471.db2.gz OKVUEGFWSLZMCD-HKUYNNGSSA-N 0 3 316.445 3.061 40 0 DGABHN Cc1ccc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)o1 ZINC000096057001 431937055 /nfs/dbraw/zinc/93/70/55/431937055.db2.gz CKHUCMLMMYHWJX-RTBURBONSA-N 0 3 319.445 3.386 40 0 DGABHN c1csc(CN2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1 ZINC000096107473 431939032 /nfs/dbraw/zinc/93/90/32/431939032.db2.gz HTDNSBDZVMJHSC-RDJZCZTQSA-N 0 3 307.459 3.298 40 0 DGABHN c1coc(CN2CCC3(C[C@@H](OCC4CCC4)CO3)CC2)c1 ZINC000096207064 431942492 /nfs/dbraw/zinc/94/24/92/431942492.db2.gz QFJNBRDTAJTAAW-QGZVFWFLSA-N 0 3 305.418 3.220 40 0 DGABHN c1nc2n(c1-c1ccccc1)C[C@H](CNCc1ccccc1)OC2 ZINC000096296448 431944201 /nfs/dbraw/zinc/94/42/01/431944201.db2.gz OGAPSHFOMBBJMZ-SFHVURJKSA-N 0 3 319.408 3.239 40 0 biogenic,in-vitro DGABHN Cc1ccc(CN2CCc3ncnc(-c4ccoc4)c3CC2)o1 ZINC000096255155 431944279 /nfs/dbraw/zinc/94/42/79/431944279.db2.gz KFWUNNNJNMAPIW-UHFFFAOYSA-N 0 3 309.369 3.239 40 0 DGABHN Cn1cc(CN2CCC[C@H](c3ccncn3)C2)c2cc(F)ccc21 ZINC000257216032 432418680 /nfs/dbraw/zinc/41/86/80/432418680.db2.gz CSURNDWXUXWRNY-AWEZNQCLSA-N 0 3 324.403 3.487 40 0 DGABHN Cc1ncccc1O[C@@H]1CC[C@@H]2CN(Cc3ccccn3)C[C@H]12 ZINC000257206060 432419037 /nfs/dbraw/zinc/41/90/37/432419037.db2.gz BBQFFIUGNIWJOF-HHXXYDBFSA-N 0 3 309.413 3.074 40 0 DGABHN c1cc2cc(C[C@@H]3CCCN(Cc4cccnc4)C3)cnc2[nH]1 ZINC000257249922 432422036 /nfs/dbraw/zinc/42/20/36/432422036.db2.gz JKGLACITLSPLQA-HNNXBMFYSA-N 0 3 306.413 3.413 40 0 DGABHN c1cc([C@H]2CCCN(Cc3ccccc3N3CCCC3)C2)n[nH]1 ZINC000257244095 432422479 /nfs/dbraw/zinc/42/24/79/432422479.db2.gz IJVDBKVBCNSQBX-INIZCTEOSA-N 0 3 310.445 3.390 40 0 DGABHN c1cc([C@@H]2CCCN(Cc3ccccc3N3CCCC3)C2)n[nH]1 ZINC000257244096 432423192 /nfs/dbraw/zinc/42/31/92/432423192.db2.gz IJVDBKVBCNSQBX-MRXNPFEDSA-N 0 3 310.445 3.390 40 0 DGABHN Cc1c[nH]c([C@H]2CCN(Cc3c[nH]nc3-c3cccs3)C2)n1 ZINC000257268303 432424940 /nfs/dbraw/zinc/42/49/40/432424940.db2.gz MLBGQCPNPWDLFH-LBPRGKRZSA-N 0 3 313.430 3.159 40 0 DGABHN CCOc1ccccc1CN1CCC2(CC1)OCCC[C@@H]2OC ZINC000257267321 432425873 /nfs/dbraw/zinc/42/58/73/432425873.db2.gz MGUBIETZPCDYFH-SFHVURJKSA-N 0 3 319.445 3.245 40 0 DGABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CC2)CC1 ZINC000100750191 289289652 /nfs/dbraw/zinc/28/96/52/289289652.db2.gz MTCCMEDODPNOBJ-RVKKMQEKSA-N 0 3 315.461 3.017 40 0 DGABHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccn2)CC1 ZINC000255189797 568417117 /nfs/dbraw/zinc/41/71/17/568417117.db2.gz SCZMLPAFUIAMKW-HDJSIYSDSA-N 0 3 305.422 3.007 40 0 DGABHN COC(=O)CC1CCN(Cc2ccc3cc(F)ccc3n2)CC1 ZINC000096837482 185389020 /nfs/dbraw/zinc/38/90/20/185389020.db2.gz LWBNKPYMTXWLJK-UHFFFAOYSA-N 0 3 316.376 3.149 40 0 DGABHN CCOC(CN(Cc1ccc2c(c1)OCO2)C(C)(C)C)OCC ZINC000095470478 185372531 /nfs/dbraw/zinc/37/25/31/185372531.db2.gz BHMBZUBPHVMXNM-UHFFFAOYSA-N 0 3 323.433 3.415 40 0 DGABHN C[C@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000072203961 191076638 /nfs/dbraw/zinc/07/66/38/191076638.db2.gz ICKLJMZYXGJZHD-KBPBESRZSA-N 0 3 305.422 3.132 40 0 DGABHN CC(C)[N@@H+]1CCC[C@H](c2nccnc2[N-]c2nccs2)C1 ZINC000072364728 191132870 /nfs/dbraw/zinc/13/28/70/191132870.db2.gz GRRZYFMLRPBDII-LBPRGKRZSA-N 0 3 303.435 3.265 40 0 DGABHN CC(C)[N@H+]1CCC[C@H](c2nccnc2[N-]c2nccs2)C1 ZINC000072364728 191132872 /nfs/dbraw/zinc/13/28/72/191132872.db2.gz GRRZYFMLRPBDII-LBPRGKRZSA-N 0 3 303.435 3.265 40 0 DGABHN Cc1nccn1-c1cncc([C@H]2CCCN2Cc2ccccc2)n1 ZINC000072378663 191141316 /nfs/dbraw/zinc/14/13/16/191141316.db2.gz XOBIANGRWQIJEI-GOSISDBHSA-N 0 3 319.412 3.308 40 0 DGABHN Cc1cc(Nc2ncccc2C)nc([C@@H]2CCN(C(C)C)C2)n1 ZINC000072382383 191143042 /nfs/dbraw/zinc/14/30/42/191143042.db2.gz PBKRMHRIGZXMGV-OAHLLOKOSA-N 0 3 311.433 3.430 40 0 DGABHN c1coc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)c1 ZINC000107711923 432036931 /nfs/dbraw/zinc/03/69/31/432036931.db2.gz AXHWVVFYWPBOKW-MSOLQXFVSA-N 0 3 305.418 3.077 40 0 DGABHN O=C(c1cccc(Cl)c1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004723264 181142161 /nfs/dbraw/zinc/14/21/61/181142161.db2.gz CSQIPDRJAUDPME-VBQJREDUSA-N 0 3 318.848 3.286 40 0 DGABHN CC(C)NCCO[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000004769418 181149649 /nfs/dbraw/zinc/14/96/49/181149649.db2.gz LATRADDNRKNQQJ-JOCHJYFZSA-N 0 3 317.454 3.454 40 0 DGABHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cccc(F)c2)C1 ZINC000067801288 432041516 /nfs/dbraw/zinc/04/15/16/432041516.db2.gz PKADNTNWLFEQPF-OAHLLOKOSA-N 0 3 308.397 3.315 40 0 DGABHN COc1ccc2[nH]c(CN3CCC[C@H](c4cnccn4)C3)cc2c1 ZINC000257298836 203022767 /nfs/dbraw/zinc/02/27/67/203022767.db2.gz RNLPCNDVNGMJQY-AWEZNQCLSA-N 0 3 322.412 3.346 40 0 DGABHN Cc1cccc(CN2CCC(c3cccc4nccn43)CC2)n1 ZINC000257290306 203014678 /nfs/dbraw/zinc/01/46/78/203014678.db2.gz QCIOBPCQDDLUSA-UHFFFAOYSA-N 0 3 306.413 3.417 40 0 DGABHN CCOc1c(Br)cc(Br)cc1CNC ZINC000008253298 181540088 /nfs/dbraw/zinc/54/00/88/181540088.db2.gz ABRAIWMNCSTNDT-UHFFFAOYSA-N 0 3 323.028 3.330 40 0 DGABHN Cn1nc([C@@H]2CCCN(Cc3ccccc3F)C2)c2cccnc21 ZINC000019289500 182112779 /nfs/dbraw/zinc/11/27/79/182112779.db2.gz NJQRKTSZRYKAJF-OAHLLOKOSA-N 0 3 324.403 3.487 40 0 DGABHN CC1CCN(Cc2ccc(C(=O)NCc3ccco3)cc2)CC1 ZINC000038849049 183011037 /nfs/dbraw/zinc/01/10/37/183011037.db2.gz VPMQXORZHVYLCU-UHFFFAOYSA-N 0 3 312.413 3.442 40 0 DGABHN COc1ccccc1CNC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000038876232 183012381 /nfs/dbraw/zinc/01/23/81/183012381.db2.gz IIMDWDHVSNNKIC-UHFFFAOYSA-N 0 3 320.433 3.184 40 0 DGABHN c1ccc(CN2CCC[C@@H]2c2cccnc2N2CCOCC2)cc1 ZINC000072216211 257125195 /nfs/dbraw/zinc/12/51/95/257125195.db2.gz NEYRVEFZNJBIQE-LJQANCHMSA-N 0 3 323.440 3.255 40 0 DGABHN CC(C)CN1CCCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216604 257125561 /nfs/dbraw/zinc/12/55/61/257125561.db2.gz QUWSAWOTOVJQMM-GOSISDBHSA-N 0 3 316.493 3.016 40 0 DGABHN CC(C)(C)OC(=O)N1[C@@H]([C@H](N)c2ccccc2)COC1(C)C ZINC000072208809 257127878 /nfs/dbraw/zinc/12/78/78/257127878.db2.gz OEXNURJONFKAOX-ZIAGYGMSSA-N 0 3 306.406 3.058 40 0 DGABHN N[C@@H](c1nc(CNc2ccccc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533968 257137667 /nfs/dbraw/zinc/13/76/67/257137667.db2.gz JDUQUEIQXJGJGP-OAHLLOKOSA-N 0 3 313.792 3.118 40 0 DGABHN C[C@@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000072203964 287037785 /nfs/dbraw/zinc/03/77/85/287037785.db2.gz ICKLJMZYXGJZHD-ZIAGYGMSSA-N 0 3 305.422 3.132 40 0 DGABHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(F)cc2)C1 ZINC000067802629 275519126 /nfs/dbraw/zinc/51/91/26/275519126.db2.gz PEYGKVHAIBEIBV-OAHLLOKOSA-N 0 3 308.397 3.315 40 0 DGABHN COc1cccc2c1OC1(CCN(C)CC1)[C@H]1CCCO[C@H]21 ZINC000257231579 278038698 /nfs/dbraw/zinc/03/86/98/278038698.db2.gz GHIWCIZNAMCYIF-GOEBONIOSA-N 0 3 303.402 3.020 40 0 DGABHN Cc1cccc(CN2CCC3(CC(Nc4ncccn4)C3)CC2)n1 ZINC000108535767 431147991 /nfs/dbraw/zinc/14/79/91/431147991.db2.gz AJPLSEFFETUFFZ-UHFFFAOYSA-N 0 3 323.444 3.037 40 0 DGABHN Cc1nn2c(nc(C)cc2NCCN(C)C)c1-c1cccs1 ZINC000072341688 431334576 /nfs/dbraw/zinc/33/45/76/431334576.db2.gz MVHUBAVUEBSXPA-UHFFFAOYSA-N 0 3 315.446 3.048 40 0 DGABHN Cc1nccn1-c1cncc([C@@H]2CCCN2Cc2ccccc2)n1 ZINC000072378662 431335333 /nfs/dbraw/zinc/33/53/33/431335333.db2.gz XOBIANGRWQIJEI-SFHVURJKSA-N 0 3 319.412 3.308 40 0 DGABHN OC1(c2ccc(F)cc2)C[C@H]2CC[C@@H](C1)N2Cc1ccccn1 ZINC000013267865 431551064 /nfs/dbraw/zinc/55/10/64/431551064.db2.gz XHWFQYLHIBEOQQ-DFNIBXOVSA-N 0 3 312.388 3.235 40 0 DGABHN Cc1ccc(C2(NCc3ccc(N4CCOCC4)nc3)CC2)cc1 ZINC000019208449 431619096 /nfs/dbraw/zinc/61/90/96/431619096.db2.gz QQOBCSAWRVZQIM-UHFFFAOYSA-N 0 3 323.440 3.006 40 0 DGABHN c1ccc2[nH]c([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)nc2c1 ZINC000035446646 431830368 /nfs/dbraw/zinc/83/03/68/431830368.db2.gz MNYRALFGCJGOCW-AWEZNQCLSA-N 0 3 321.380 3.281 40 0 biogenic,in-vitro DGABHN COc1ccc(-c2nc([C@H](N)c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095533940 431926586 /nfs/dbraw/zinc/92/65/86/431926586.db2.gz VGXAKIHJKRPQQU-CQSZACIVSA-N 0 3 314.776 3.182 40 0 DGABHN O[C@]1(/C=C/c2ccccc2)CCOC[C@H]1NCc1ccccc1 ZINC000095951728 431927917 /nfs/dbraw/zinc/92/79/17/431927917.db2.gz NQXARPDMVRVEMA-XICOBVEKSA-N 0 3 309.409 3.010 40 0 DGABHN c1cc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)cs1 ZINC000096047148 431934791 /nfs/dbraw/zinc/93/47/91/431934791.db2.gz ISJDMJSFPDIIIW-KRWDZBQOSA-N 0 3 314.458 3.031 40 0 DGABHN Cc1cccc(CN2CC[C@@H]3OCCC[C@]3(COC(C)C)C2)n1 ZINC000096040505 431935364 /nfs/dbraw/zinc/93/53/64/431935364.db2.gz ZBZVUIRSKQEMEE-RBUKOAKNSA-N 0 3 318.461 3.186 40 0 DGABHN Cc1ccc(CN2CC[C@H]3C[C@@H](c4ccnc(C)n4)O[C@@H]3C2)cc1 ZINC000096046358 431935610 /nfs/dbraw/zinc/93/56/10/431935610.db2.gz YYMDUOIGRXZJHW-YSIASYRMSA-N 0 3 323.440 3.446 40 0 DGABHN Cc1ccsc1CN1CC[C@H]2C[C@H](c3ccncn3)O[C@@H]2C1 ZINC000096046139 431935760 /nfs/dbraw/zinc/93/57/60/431935760.db2.gz WNYALPVWUZZYGB-NUEKZKHPSA-N 0 3 315.442 3.199 40 0 DGABHN Cc1noc(C)c1CN1CC[C@@H]2OCCC[C@]2(COC(C)C)C1 ZINC000096040503 431935867 /nfs/dbraw/zinc/93/58/67/431935867.db2.gz YIFJLDWXQHYNLK-ZWKOTPCHSA-N 0 3 322.449 3.088 40 0 DGABHN CC(C)CN1CCC2(CCN(Cc3ccsc3)CC2)C1=O ZINC000096046765 431935998 /nfs/dbraw/zinc/93/59/98/431935998.db2.gz GVPWDEMJGQOUBK-UHFFFAOYSA-N 0 3 306.475 3.219 40 0 DGABHN Fc1ccc(-c2ncnc3c2CCN(Cc2ccoc2)CC3)cc1 ZINC000096058698 431937324 /nfs/dbraw/zinc/93/73/24/431937324.db2.gz AAPMYTCEJIZJFK-UHFFFAOYSA-N 0 3 323.371 3.477 40 0 DGABHN Cc1cccc2c1nc1n2[C@@H](CNCc2ccccc2)COC1 ZINC000096112639 431938836 /nfs/dbraw/zinc/93/88/36/431938836.db2.gz UULWZOZHGMJEJD-INIZCTEOSA-N 0 3 307.397 3.206 40 0 biogenic,in-vitro DGABHN c1cc(CN2CCC[C@]3(CCCN3Cc3ccncc3)C2)co1 ZINC000096214917 431942101 /nfs/dbraw/zinc/94/21/01/431942101.db2.gz BKWKSEVTCGYGBF-IBGZPJMESA-N 0 3 311.429 3.305 40 0 DGABHN Cn1cc(CN2CCC(c3cnccn3)CC2)c2ccccc21 ZINC000257215975 432418831 /nfs/dbraw/zinc/41/88/31/432418831.db2.gz CSMQPJVSQGFBKN-UHFFFAOYSA-N 0 3 306.413 3.348 40 0 DGABHN Cn1ncc2ccc([C@@H]3CCCN(Cc4ccsc4)C3)nc21 ZINC000257222703 432420730 /nfs/dbraw/zinc/42/07/30/432420730.db2.gz DUKAZLRQCFBAAH-OAHLLOKOSA-N 0 3 312.442 3.409 40 0 DGABHN Cc1c[nH]nc1[C@@H]1CCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000257247154 432422839 /nfs/dbraw/zinc/42/28/39/432422839.db2.gz IXSNAKZCDLXYPK-OAHLLOKOSA-N 0 3 307.401 3.098 40 0 DGABHN CCCCc1ncc(CN2CCC[C@H](c3ccnc(C)n3)C2)[nH]1 ZINC000257257663 432423473 /nfs/dbraw/zinc/42/34/73/432423473.db2.gz KQPPDPXPWGXPFY-HNNXBMFYSA-N 0 3 313.449 3.230 40 0 DGABHN CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225692367 432695551 /nfs/dbraw/zinc/69/55/51/432695551.db2.gz CBSDXTDAJDQWSQ-GOSISDBHSA-N 0 3 322.449 3.161 40 0 DGABHN CN1CCC(NC(=O)CCc2c(Cl)cccc2Cl)CC1 ZINC000225363652 432690280 /nfs/dbraw/zinc/69/02/80/432690280.db2.gz HQPACFUKLPGGSD-UHFFFAOYSA-N 0 3 315.244 3.136 40 0 DGABHN C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1CCN(C)CC1 ZINC000174773500 298326187 /nfs/dbraw/zinc/32/61/87/298326187.db2.gz OVEKEHTULRJJKX-OAHLLOKOSA-N 0 3 302.462 3.201 40 0 DGABHN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](N)CC1CCCCC1 ZINC000261853168 655676300 /nfs/dbraw/zinc/67/63/00/655676300.db2.gz JRVAJMLWXOTGEG-RHSMWYFYSA-N 0 3 318.461 3.479 40 0 DGABHN OC[C@H]1CCN(Cc2ccccc2)C[C@H]1OCc1ccccc1 ZINC001772491079 1197698873 /nfs/dbraw/zinc/69/88/73/1197698873.db2.gz DAEQJRXBQKIVSA-WOJBJXKFSA-N 0 3 311.425 3.086 40 0 DGABHN CC(C)(C)OC(=O)N1CCC(NCc2ccccc2F)CC1 ZINC000078965910 185136680 /nfs/dbraw/zinc/13/66/80/185136680.db2.gz CPUOKJWOKRVDOZ-UHFFFAOYSA-N 0 3 308.397 3.315 40 0 DGABHN c1cn(-c2cncc([C@H]3CCCN(Cc4ccccc4)C3)n2)cn1 ZINC000072355450 191129021 /nfs/dbraw/zinc/12/90/21/191129021.db2.gz LTAMGFPDWZOEOS-KRWDZBQOSA-N 0 3 319.412 3.042 40 0 DGABHN OCCN1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072357528 191130606 /nfs/dbraw/zinc/13/06/06/191130606.db2.gz AHBWCGDEILKPAY-AWEZNQCLSA-N 0 3 300.377 3.059 40 0 DGABHN OCCN1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072357526 191130656 /nfs/dbraw/zinc/13/06/56/191130656.db2.gz COVLPLBAIPZVQC-HNNXBMFYSA-N 0 3 300.377 3.059 40 0 DGABHN c1cnc([N-]c2nccc([C@@H]3CCC[N@@H+]3C3CCCCC3)n2)cn1 ZINC000072377354 191139099 /nfs/dbraw/zinc/13/90/99/191139099.db2.gz NXGBRVGXGVGITF-INIZCTEOSA-N 0 3 324.432 3.480 40 0 DGABHN c1cnc([N-]c2nccc([C@@H]3CCC[N@H+]3C3CCCCC3)n2)cn1 ZINC000072377354 191139101 /nfs/dbraw/zinc/13/91/01/191139101.db2.gz NXGBRVGXGVGITF-INIZCTEOSA-N 0 3 324.432 3.480 40 0 DGABHN c1cn(-c2cccc(C3CCN(Cc4ccccn4)CC3)n2)cn1 ZINC000072379059 191140972 /nfs/dbraw/zinc/14/09/72/191140972.db2.gz ITLAWZCEPFGECG-UHFFFAOYSA-N 0 3 319.412 3.042 40 0 DGABHN Cc1cccc(Nc2cc(C)nc([C@H]3CCN(C(C)C)C3)n2)n1 ZINC000072382382 191142791 /nfs/dbraw/zinc/14/27/91/191142791.db2.gz SFOQGSXWIXBJIT-HNNXBMFYSA-N 0 3 311.433 3.430 40 0 DGABHN CCOc1cc(CNC[C@H]2CCCO2)ccc1OCC(C)C ZINC000072658626 191209817 /nfs/dbraw/zinc/20/98/17/191209817.db2.gz CGSYJENPOMPQKB-MRXNPFEDSA-N 0 3 307.434 3.389 40 0 DGABHN CCOc1ccccc1CNCCc1ccc(OC)c(OC)c1 ZINC000004700583 181139118 /nfs/dbraw/zinc/13/91/18/181139118.db2.gz DFTRMDUORWUEAC-UHFFFAOYSA-N 0 3 315.413 3.435 40 0 DGABHN C/C(=C\c1ccccc1)CN1CCCC[C@H]1CN1CCOCC1 ZINC000179392878 432056344 /nfs/dbraw/zinc/05/63/44/432056344.db2.gz FXAHLQBSOXTZEC-POLXVDLBSA-N 0 3 314.473 3.277 40 0 DGABHN CNc1nc([C@H]2CCCN(Cc3cccnc3)C2)cn2cccc12 ZINC000257308425 203032859 /nfs/dbraw/zinc/03/28/59/203032859.db2.gz TWQWVMIWOGSXQM-INIZCTEOSA-N 0 3 321.428 3.151 40 0 DGABHN Cn1cnc(CN2CC[C@H](Cc3ccnc4ccccc34)C2)c1 ZINC000257284863 203011988 /nfs/dbraw/zinc/01/19/88/203011988.db2.gz PEQKWAVKXRZRLM-OAHLLOKOSA-N 0 3 306.413 3.033 40 0 DGABHN c1ccc(CN2CCC3(CO[C@H](Cc4cccnc4)C3)CC2)nc1 ZINC000257330061 203054056 /nfs/dbraw/zinc/05/40/56/203054056.db2.gz XMPQESUFSGVUQJ-LJQANCHMSA-N 0 3 323.440 3.090 40 0 DGABHN COc1cc(CN2CCC[C@H](c3nc(C)c[nH]3)C2)cc(OC)c1 ZINC000257312736 203036252 /nfs/dbraw/zinc/03/62/52/203036252.db2.gz UPIBETMQFQCLHB-HNNXBMFYSA-N 0 3 315.417 3.115 40 0 DGABHN CNc1cc(C)nc([C@H]2CCN(Cc3ccnn3C(C)C)C2)c1 ZINC000257318505 203042607 /nfs/dbraw/zinc/04/26/07/203042607.db2.gz VOFVLJMUDWPYRX-HNNXBMFYSA-N 0 3 313.449 3.199 40 0 DGABHN CNc1cc(C)nc([C@@H]2CCN(Cc3ccnn3C(C)C)C2)c1 ZINC000257318506 203042853 /nfs/dbraw/zinc/04/28/53/203042853.db2.gz VOFVLJMUDWPYRX-OAHLLOKOSA-N 0 3 313.449 3.199 40 0 DGABHN c1c(-c2ccccc2)nc2n1C[C@H](CNCc1ccccc1)OC2 ZINC000096296289 193611539 /nfs/dbraw/zinc/61/15/39/193611539.db2.gz AGRASPSJWNILAO-SFHVURJKSA-N 0 3 319.408 3.239 40 0 biogenic,in-vitro DGABHN O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(C2CCCCC2)C1 ZINC000015674083 182011821 /nfs/dbraw/zinc/01/18/21/182011821.db2.gz PFOLHGWYTDGPTL-CVEARBPZSA-N 0 3 313.401 3.177 40 0 biogenic,in-vitro DGABHN Cn1nc([C@H]2CCCN(Cc3ccccc3F)C2)c2cccnc21 ZINC000019289501 182112790 /nfs/dbraw/zinc/11/27/90/182112790.db2.gz NJQRKTSZRYKAJF-HNNXBMFYSA-N 0 3 324.403 3.487 40 0 DGABHN CN(C)CCNCc1ccccc1OCc1ccccc1F ZINC000022075305 182307526 /nfs/dbraw/zinc/30/75/26/182307526.db2.gz QNPGCGQCJIGSNX-UHFFFAOYSA-N 0 3 302.393 3.056 40 0 DGABHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccn2)CC1 ZINC000100809414 193804537 /nfs/dbraw/zinc/80/45/37/193804537.db2.gz SCZMLPAFUIAMKW-OKILXGFUSA-N 0 3 305.422 3.007 40 0 DGABHN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC2CCN(C)CC2)c1 ZINC000054148121 183926861 /nfs/dbraw/zinc/92/68/61/183926861.db2.gz QPCFQJGWIQATFQ-OAHLLOKOSA-N 0 3 318.461 3.096 40 0 DGABHN C[C@@H]1CN([C@H](CN)c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000021809535 257129840 /nfs/dbraw/zinc/12/98/40/257129840.db2.gz SUZPBBSUTBAACQ-ISTVAULSSA-N 0 3 303.233 3.102 40 0 DGABHN C[C@H](CN1c2ccccc2S(=O)c2ccccc21)N(C)C ZINC000001849516 134447798 /nfs/dbraw/zinc/44/77/98/134447798.db2.gz OWTCLFIFAFHQIX-CYBMUJFWSA-N 0 3 300.427 3.255 40 0 in-vitro DGABHN CCN1C(=O)CC[C@@]12CCCN(Cc1cccc(F)c1)CC2 ZINC000585100834 400125150 /nfs/dbraw/zinc/12/51/50/400125150.db2.gz YMGBZGXJAIDILK-GOSISDBHSA-N 0 3 304.409 3.193 40 0 DGABHN c1cncc(CN2CCC3(C[C@H](c4cccnc4)CO3)CC2)c1 ZINC000096220295 275073984 /nfs/dbraw/zinc/07/39/84/275073984.db2.gz WMLXJARNVGMSQI-SFHVURJKSA-N 0 3 309.413 3.015 40 0 DGABHN CC1(C)[C@H]2C[C@@H]1C([C@@H]1NC(=N)Nc3nc4ccccc4n31)=CC2 ZINC000007738556 276165596 /nfs/dbraw/zinc/16/55/96/276165596.db2.gz NPWRIMCTAVGORR-IXPVHAAZSA-N 0 3 307.401 3.077 40 0 DGABHN C[C@@H]1CN([C@H](CN)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000108350276 431132649 /nfs/dbraw/zinc/13/26/49/431132649.db2.gz XKHZFFVTORRINN-GPCCPHFNSA-N 0 3 303.233 3.102 40 0 DGABHN O=C(COc1ccc(Cl)cc1)OCCN1CCCCCC1 ZINC000001608284 431233313 /nfs/dbraw/zinc/23/33/13/431233313.db2.gz DNEAGEKNLYKVKE-UHFFFAOYSA-N 0 3 311.809 3.138 40 0 DGABHN CC[C@H](CO)NCc1ccccc1OCc1ccccc1F ZINC000008337146 431394277 /nfs/dbraw/zinc/39/42/77/431394277.db2.gz FLBPBBLGPXHSPS-MRXNPFEDSA-N 0 3 303.377 3.265 40 0 DGABHN CC[C@H](CO)NCc1ccc(OCc2cccs2)c(OC)c1 ZINC000008337076 431394467 /nfs/dbraw/zinc/39/44/67/431394467.db2.gz WACZRYDVZAAEEL-CQSZACIVSA-N 0 3 321.442 3.196 40 0 DGABHN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)CCc2ccccc21 ZINC000019371888 431618954 /nfs/dbraw/zinc/61/89/54/431618954.db2.gz HXKIYFMECACYHW-HXUWFJFHSA-N 0 3 306.409 3.007 40 0 DGABHN CC(=O)N1CCc2ccccc2[C@H]1[C@@H]1NCCc2ccccc21 ZINC000031750741 431763572 /nfs/dbraw/zinc/76/35/72/431763572.db2.gz AVKSIFQMKNTASD-UXHICEINSA-N 0 3 306.409 3.019 40 0 DGABHN C[C@@H]1CN([C@@H](CN)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000037424741 431847096 /nfs/dbraw/zinc/84/70/96/431847096.db2.gz XKHZFFVTORRINN-RULNRJAQSA-N 0 3 303.233 3.102 40 0 DGABHN Cc1nccc([C@H]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3O2)n1 ZINC000096046154 431935581 /nfs/dbraw/zinc/93/55/81/431935581.db2.gz UXUXWXYVQMCOGI-QXAKKESOSA-N 0 3 309.413 3.137 40 0 DGABHN c1coc(CN2CCC3(C2)CCN(Cc2nccs2)CC3)c1 ZINC000096071143 431936530 /nfs/dbraw/zinc/93/65/30/431936530.db2.gz QUNFOHFTMXBPFG-UHFFFAOYSA-N 0 3 317.458 3.224 40 0 DGABHN CCOC[C@]12CCCO[C@H]1CCN(Cc1ccc(OC)cc1)C2 ZINC000096056802 431936655 /nfs/dbraw/zinc/93/66/55/431936655.db2.gz HGJXULPVWFKQRR-RBUKOAKNSA-N 0 3 319.445 3.103 40 0 DGABHN O=C1N(CC2CC2)CCC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096071156 431936796 /nfs/dbraw/zinc/93/67/96/431936796.db2.gz NKPQRQZYHPANEM-UHFFFAOYSA-N 0 3 316.420 3.050 40 0 DGABHN CC(C)CN1c2ccccc2[C@]2(CCN(Cc3ccco3)C2)C1=O ZINC000096100292 431938211 /nfs/dbraw/zinc/93/82/11/431938211.db2.gz BIXZCABVYXZFFJ-HXUWFJFHSA-N 0 3 324.424 3.426 40 0 DGABHN c1ccc(O[C@H]2COC3(C2)CCN(Cc2ccccn2)CC3)cc1 ZINC000096073188 431938301 /nfs/dbraw/zinc/93/83/01/431938301.db2.gz CPIPEMMBHWFQAW-LJQANCHMSA-N 0 3 324.424 3.284 40 0 DGABHN O=C1N(CC2CC2)c2ccccc2[C@]12CCN(Cc1ccco1)C2 ZINC000096100315 431938321 /nfs/dbraw/zinc/93/83/21/431938321.db2.gz WIJYZUKIJMIWGV-HXUWFJFHSA-N 0 3 322.408 3.180 40 0 DGABHN COC[C@H]1COCCC12CCN(Cc1ccccc1F)CC2 ZINC000096106315 431938953 /nfs/dbraw/zinc/93/89/53/431938953.db2.gz QWQSPCGYEGBALI-INIZCTEOSA-N 0 3 307.409 3.091 40 0 DGABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)s1 ZINC000096184640 431941415 /nfs/dbraw/zinc/94/14/15/431941415.db2.gz FWYOTNZFOQNVDZ-ZWKOTPCHSA-N 0 3 313.470 3.300 40 0 DGABHN Cc1ccc(CN2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)o1 ZINC000248073878 432266058 /nfs/dbraw/zinc/26/60/58/432266058.db2.gz GXHKPNLWTZSUHT-GOEBONIOSA-N 0 3 317.458 3.141 40 0 DGABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cccs3)C2)n1 ZINC000257199587 432416496 /nfs/dbraw/zinc/41/64/96/432416496.db2.gz AAAJLDMBFADSRZ-ZDUSSCGKSA-N 0 3 315.442 3.147 40 0 DGABHN Cc1nn(C)c(C)c1CN1CCC(Cc2ccnc(C)c2)CC1 ZINC000257211229 432419230 /nfs/dbraw/zinc/41/92/30/432419230.db2.gz BYABEDSWASZEGC-UHFFFAOYSA-N 0 3 312.461 3.195 40 0 DGABHN Cc1nn(C)c(C)c1CN1CCC(C)(c2nccs2)CC1 ZINC000257202929 432419240 /nfs/dbraw/zinc/41/92/40/432419240.db2.gz ANXJDEHVKLDKMW-UHFFFAOYSA-N 0 3 304.463 3.047 40 0 DGABHN CCN1CC[C@H](c2cc(Nc3nc(C)c(C)s3)nc(C)n2)C1 ZINC000257225309 432420318 /nfs/dbraw/zinc/42/03/18/432420318.db2.gz FFRQRMCAKKUGRK-ZDUSSCGKSA-N 0 3 317.462 3.411 40 0 DGABHN Cc1cc2nccc(C3CCN(CCC(F)(F)F)CC3)n2n1 ZINC000257232696 432420462 /nfs/dbraw/zinc/42/04/62/432420462.db2.gz GMACOXMEMPMCLB-UHFFFAOYSA-N 0 3 312.339 3.170 40 0 DGABHN O=C(c1ccccc1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000264224507 432627737 /nfs/dbraw/zinc/62/77/37/432627737.db2.gz WMCJMWZPZQPWSP-UHFFFAOYSA-N 0 3 320.436 3.350 40 0 DGABHN Fc1ccccc1CN1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000222327618 432671425 /nfs/dbraw/zinc/67/14/25/432671425.db2.gz MPKNCPVSEPNVPJ-LZLYRXPVSA-N 0 3 300.421 3.156 40 0 DGABHN Cc1nc(Nc2cnccn2)cc([C@@H]2CCCCN2C(C)C)n1 ZINC000072382647 293343904 /nfs/dbraw/zinc/34/39/04/293343904.db2.gz XSOJXSHZCIIYRI-HNNXBMFYSA-N 0 3 312.421 3.254 40 0 DGABHN COc1ccc2c(c1)CCN(c1cc(NC(C)C)nc(C)n1)C2 ZINC000329067959 434355286 /nfs/dbraw/zinc/35/52/86/434355286.db2.gz YKWVAXYZPCGFCE-UHFFFAOYSA-N 0 3 312.417 3.177 40 0 DGABHN COc1ccc(CCNCc2cn(C(C)C)nc2C)cc1OC ZINC000256053912 575207787 /nfs/dbraw/zinc/20/77/87/575207787.db2.gz UDIYCZXSBBWHCG-UHFFFAOYSA-N 0 3 317.433 3.122 40 0 DGABHN COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](N)CC1CCCCC1 ZINC000261853175 657139383 /nfs/dbraw/zinc/13/93/83/657139383.db2.gz JRVAJMLWXOTGEG-YOEHRIQHSA-N 0 3 318.461 3.479 40 0 DGABHN C[C@@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccn1 ZINC000072203889 191075436 /nfs/dbraw/zinc/07/54/36/191075436.db2.gz OQBKQIPWYLIFHE-CYBMUJFWSA-N 0 3 305.422 3.132 40 0 DGABHN CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225606252 186282813 /nfs/dbraw/zinc/28/28/13/186282813.db2.gz ZBOIYEIJHXGVPV-GOSISDBHSA-N 0 3 322.449 3.017 40 0 DGABHN c1cn(-c2cccc(C3CCN(Cc4cccnc4)CC3)n2)cn1 ZINC000072379069 191140895 /nfs/dbraw/zinc/14/08/95/191140895.db2.gz JLQDSFAYWYQBQN-UHFFFAOYSA-N 0 3 319.412 3.042 40 0 DGABHN Cc1cc(C[C@@H]2COC[C@H]2NCc2ccc(C(C)C)cc2)on1 ZINC000072395115 191150005 /nfs/dbraw/zinc/15/00/05/191150005.db2.gz RKDYWCKOXMKRGP-IEBWSBKVSA-N 0 3 314.429 3.454 40 0 DGABHN CCCCCOC(=O)c1ccc(NC(=O)CNCCCC)cc1 ZINC000004792392 181152365 /nfs/dbraw/zinc/15/23/65/181152365.db2.gz PKONURKSTYPEOW-UHFFFAOYSA-N 0 3 320.433 3.362 40 0 DGABHN Cc1ccnc([C@@H]2CCN(Cc3cn(C)c4ccc(F)cc34)C2)n1 ZINC000257311977 203035537 /nfs/dbraw/zinc/03/55/37/203035537.db2.gz ULWASCXAOXPXQG-CQSZACIVSA-N 0 3 324.403 3.405 40 0 DGABHN CC(C)Oc1ccc([C@H]2CNCCN2Cc2cscn2)cc1 ZINC000257287522 203013312 /nfs/dbraw/zinc/01/33/12/203013312.db2.gz PQHZAWUJYBKEAD-QGZVFWFLSA-N 0 3 317.458 3.077 40 0 DGABHN Cc1cccc(CN2CCC[C@H](c3ccc4c[nH]nc4n3)C2)n1 ZINC000257294266 203019458 /nfs/dbraw/zinc/01/94/58/203019458.db2.gz QTHMJGPLABMXIQ-HNNXBMFYSA-N 0 3 307.401 3.041 40 0 DGABHN c1[nH]nc(-c2ccccc2)c1CN1CCC(c2cnccn2)CC1 ZINC000257319935 203045899 /nfs/dbraw/zinc/04/58/99/203045899.db2.gz VUQWXHDVAHHILP-UHFFFAOYSA-N 0 3 319.412 3.246 40 0 DGABHN COc1cc(CNC[C@H](C)O)ccc1OCc1cccc(C)c1 ZINC000016349295 182042123 /nfs/dbraw/zinc/04/21/23/182042123.db2.gz OHDUVFKSTDLHBU-HNNXBMFYSA-N 0 3 315.413 3.053 40 0 DGABHN COc1ccccc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019359416 182118110 /nfs/dbraw/zinc/11/81/10/182118110.db2.gz UOKVAMYHHWWGJP-AOIWGVFYSA-N 0 3 312.457 3.025 40 0 DGABHN COc1cccc(CN(CCN(C)C)Cc2cccs2)c1 ZINC000019582596 182131860 /nfs/dbraw/zinc/13/18/60/182131860.db2.gz GQXIUDLIAVYFLC-UHFFFAOYSA-N 0 3 304.459 3.321 40 0 DGABHN CCN(C(=O)c1cc(C)nc2ccccc21)C1CCN(C)CC1 ZINC000019657074 182135304 /nfs/dbraw/zinc/13/53/04/182135304.db2.gz SZFPETVWBYWDNB-UHFFFAOYSA-N 0 3 311.429 3.100 40 0 DGABHN Cc1nc2ccc(C(=O)N(C)CCN3CCCCC3)cc2s1 ZINC000019717601 182137935 /nfs/dbraw/zinc/13/79/35/182137935.db2.gz XAPZPYZUGYXRKU-UHFFFAOYSA-N 0 3 317.458 3.163 40 0 DGABHN Fc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019842462 182155597 /nfs/dbraw/zinc/15/55/97/182155597.db2.gz SRFLUJDNZXIEFF-SQNIBIBYSA-N 0 3 300.421 3.156 40 0 DGABHN CC1CCN([C@H](CN)c2ccccc2OC(F)(F)F)CC1 ZINC000020016660 182178553 /nfs/dbraw/zinc/17/85/53/182178553.db2.gz LDSVURVHZNNSHU-CYBMUJFWSA-N 0 3 302.340 3.317 40 0 DGABHN CN(C)Cc1ccccc1CNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000024084454 182375269 /nfs/dbraw/zinc/37/52/69/182375269.db2.gz MNJSXVUTJGKXPU-DAYGRLMNSA-N 0 3 300.446 3.191 40 0 DGABHN C[C@@H]1CCCN([C@H](CN)c2ccccc2OC(F)(F)F)C1 ZINC000252093334 257106642 /nfs/dbraw/zinc/10/66/42/257106642.db2.gz FALFGAHFGMNHNS-DGCLKSJQSA-N 0 3 302.340 3.317 40 0 DGABHN Cc1cc(I)ncc1[C@@H](N)c1ccccc1 ZINC000072225993 257123727 /nfs/dbraw/zinc/12/37/27/257123727.db2.gz FROLARMPWFYLPU-ZDUSSCGKSA-N 0 3 324.165 3.043 40 0 DGABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1 ZINC000008254540 400122462 /nfs/dbraw/zinc/12/24/62/400122462.db2.gz HNPTWWHYGQEUJZ-OFQRWUPVSA-N 0 3 303.475 3.093 40 0 biogenic,in-vitro DGABHN CC(C)Cc1ncc(-c2cnc(C[C@H]3CCN(C)C3)cn2)s1 ZINC000585261164 400130890 /nfs/dbraw/zinc/13/08/90/400130890.db2.gz VZVOBUPTSNTDQR-CYBMUJFWSA-N 0 3 316.474 3.293 40 0 DGABHN CC(C)(C)OC(=O)NC[C@@H](N)c1ccccc1C(F)(F)F ZINC000019796174 278431194 /nfs/dbraw/zinc/43/11/94/278431194.db2.gz FDHWWVABOPXSGH-LLVKDONJSA-N 0 3 304.312 3.230 40 0 DGABHN O=C1NCC2(CCN(Cc3ccccc3)CC2)N1c1ccccc1 ZINC000001564513 431230839 /nfs/dbraw/zinc/23/08/39/431230839.db2.gz RCOWRGOWMVZQHM-UHFFFAOYSA-N 0 3 321.424 3.251 40 0 DGABHN CC(=O)O[C@@H](c1ccnc2ccccc21)[C@@H]1CC2CCN1CC2 ZINC000001680260 431236718 /nfs/dbraw/zinc/23/67/18/431236718.db2.gz AQPAKLCDHXUDCB-OALUTQOASA-N 0 3 310.397 3.323 40 0 DGABHN COc1ccc(C(=O)[C@@H]2SC(=N)N[C@H]2c2ccccc2)cc1 ZINC000003019700 431282232 /nfs/dbraw/zinc/28/22/32/431282232.db2.gz ZCHDLPRNEZDIPX-GOEBONIOSA-N 0 3 312.394 3.049 40 0 DGABHN CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@@H](N)C1 ZINC000071790654 431287993 /nfs/dbraw/zinc/28/79/93/431287993.db2.gz SHDNLRJVAIEXBN-FZMZJTMJSA-N 0 3 312.360 3.017 40 0 DGABHN COc1ccc(C2CCN(Cc3cccnc3)CC2)cc1OC ZINC000012113968 431490870 /nfs/dbraw/zinc/49/08/70/431490870.db2.gz ZPERNZSIMUHHNU-UHFFFAOYSA-N 0 3 312.413 3.478 40 0 DGABHN COc1ccccc1CN1CCC(c2[nH]nc3ncccc32)CC1 ZINC000012143423 431492956 /nfs/dbraw/zinc/49/29/56/431492956.db2.gz NVMAEIGQDLZKIH-UHFFFAOYSA-N 0 3 322.412 3.346 40 0 DGABHN Cc1ccccc1C1(O)CCN(C[C@H](O)c2ccccc2)CC1 ZINC000012292079 431499278 /nfs/dbraw/zinc/49/92/78/431499278.db2.gz MXOQEFMVFKNUBL-IBGZPJMESA-N 0 3 311.425 3.012 40 0 DGABHN CC[C@H](CN1CCCCC1)NC(=O)C1(c2ccccc2F)CC1 ZINC000012362952 431502624 /nfs/dbraw/zinc/50/26/24/431502624.db2.gz KYLHNZHXPCDRIU-OAHLLOKOSA-N 0 3 318.436 3.238 40 0 DGABHN CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000078578588 431686140 /nfs/dbraw/zinc/68/61/40/431686140.db2.gz LWSJRUAVEJFJDH-INIZCTEOSA-N 0 3 322.408 3.198 40 0 DGABHN Cc1ccc(CN2Cc3cc(C)ccc3OC[C@@H]2CN(C)C)o1 ZINC000072395300 280822439 /nfs/dbraw/zinc/82/24/39/280822439.db2.gz CHUXXSNEGXKJEH-KRWDZBQOSA-N 0 3 314.429 3.221 40 0 DGABHN O=C1C[C@@]2(CCN(Cc3ccco3)C2)CN1c1cccc(F)c1 ZINC000096050710 431935329 /nfs/dbraw/zinc/93/53/29/431935329.db2.gz HRLNSEFCTRTQDX-GOSISDBHSA-N 0 3 314.360 3.048 40 0 DGABHN CC(C)CN1CC2(C1)CCN(C(=O)Cc1ccc(Cl)cc1)C2 ZINC000096070750 431936546 /nfs/dbraw/zinc/93/65/46/431936546.db2.gz AZSNDGZNGBNUAW-UHFFFAOYSA-N 0 3 320.864 3.073 40 0 DGABHN Cc1ccc(CN2CCC[C@@]3(CCN(C(=O)C4CCC4)C3)C2)o1 ZINC000096215949 431942786 /nfs/dbraw/zinc/94/27/86/431942786.db2.gz IREGMEBPWVZQML-LJQANCHMSA-N 0 3 316.445 3.203 40 0 DGABHN [O-]c1ccc(Br)c2ccc(CC[NH+]3CCCC3)nc12 ZINC000059474708 431998950 /nfs/dbraw/zinc/99/89/50/431998950.db2.gz XWSLTQCOBPKTOZ-UHFFFAOYSA-N 0 3 321.218 3.341 40 0 DGABHN CCOc1cc(CNC[C@@H]2CCCO2)ccc1OCC(C)C ZINC000060806378 432000655 /nfs/dbraw/zinc/00/06/55/432000655.db2.gz CGSYJENPOMPQKB-INIZCTEOSA-N 0 3 307.434 3.389 40 0 DGABHN c1cc2n(c1)C[C@@H](OCc1cccnc1)CN(C1CCCC1)C2 ZINC000253588933 432400797 /nfs/dbraw/zinc/40/07/97/432400797.db2.gz ZKRNZIKJTSAMGS-LJQANCHMSA-N 0 3 311.429 3.227 40 0 DGABHN c1cc2n(c1)C[C@@H](OCc1ccncc1)CN(CC1CCC1)C2 ZINC000253588395 432400999 /nfs/dbraw/zinc/40/09/99/432400999.db2.gz BBAVJVKNQBTLGJ-IBGZPJMESA-N 0 3 311.429 3.084 40 0 DGABHN Cc1nc(Nc2nccs2)cc([C@H]2CCN(C(C)C)C2)n1 ZINC000257250631 432422157 /nfs/dbraw/zinc/42/21/57/432422157.db2.gz JNJCEOVOFGZEFW-LBPRGKRZSA-N 0 3 303.435 3.183 40 0 DGABHN Cc1c[nH]nc1[C@H]1CCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000257247153 432423152 /nfs/dbraw/zinc/42/31/52/432423152.db2.gz IXSNAKZCDLXYPK-HNNXBMFYSA-N 0 3 307.401 3.098 40 0 DGABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CC2)CC1 ZINC000257270184 432424868 /nfs/dbraw/zinc/42/48/68/432424868.db2.gz MTCCMEDODPNOBJ-IIDMSEBBSA-N 0 3 315.461 3.017 40 0 DGABHN C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000072203928 290006702 /nfs/dbraw/zinc/00/67/02/290006702.db2.gz XHVIHPAHSMZJAP-UONOGXRCSA-N 0 3 305.422 3.132 40 0 DGABHN Cc1nc(Cn2ccnc2[C@H]2CN(C)Cc3ccccc32)cs1 ZINC000306143572 434085126 /nfs/dbraw/zinc/08/51/26/434085126.db2.gz YFRKEUYTBJHQEO-KRWDZBQOSA-N 0 3 324.453 3.274 40 0 DGABHN c1ccc(CNCCc2nc([C@H]3CCCSCC3)no2)cc1 ZINC000575415108 435036219 /nfs/dbraw/zinc/03/62/19/435036219.db2.gz RLNNVIMOXNWGQH-HNNXBMFYSA-N 0 3 317.458 3.403 40 0 DGABHN Cc1csc(CCNc2ccc([C@@H]3CCCN3C)nc2)n1 ZINC000072365557 191134340 /nfs/dbraw/zinc/13/43/40/191134340.db2.gz BZAQAUSWTRIYTF-HNNXBMFYSA-N 0 3 302.447 3.268 40 0 DGABHN Cc1cc(Nc2ncccc2C)nc([C@H]2CCN(C(C)C)C2)n1 ZINC000072382384 191142082 /nfs/dbraw/zinc/14/20/82/191142082.db2.gz PBKRMHRIGZXMGV-HNNXBMFYSA-N 0 3 311.433 3.430 40 0 DGABHN O=C(C[C@@H](c1ccccc1)N1CCCCC1)OC[C@@H]1CCCO1 ZINC000001569395 180873733 /nfs/dbraw/zinc/87/37/33/180873733.db2.gz JPWQZUQDQORRCQ-ROUUACIJSA-N 0 3 317.429 3.326 40 0 DGABHN CC(C)(N)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000236787136 202007261 /nfs/dbraw/zinc/00/72/61/202007261.db2.gz NLHUTEJJKURARQ-UHFFFAOYSA-N 0 3 303.233 3.125 40 0 DGABHN CC(C)CCNC1(Cc2cc(-c3ccc(F)cc3)on2)COC1 ZINC000067897874 432045111 /nfs/dbraw/zinc/04/51/11/432045111.db2.gz YDCVCLIUSRXMKO-UHFFFAOYSA-N 0 3 318.392 3.428 40 0 biogenic,in-vitro DGABHN Nc1ccc2[nH]c(CCCCc3nc4cc(N)ccc4[nH]3)nc2c1 ZINC000005027633 181192496 /nfs/dbraw/zinc/19/24/96/181192496.db2.gz QXXOTTARWLISGW-UHFFFAOYSA-N 0 3 320.400 3.169 40 0 DGABHN Nc1ccc2[nH]c(CCCCc3nc4ccc(N)cc4[nH]3)nc2c1 ZINC000005027633 181192500 /nfs/dbraw/zinc/19/25/00/181192500.db2.gz QXXOTTARWLISGW-UHFFFAOYSA-N 0 3 320.400 3.169 40 0 DGABHN CN(c1ccncn1)C1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000257301229 203025032 /nfs/dbraw/zinc/02/50/32/203025032.db2.gz RXNYMIJEBLDUNW-UHFFFAOYSA-N 0 3 314.458 3.029 40 0 DGABHN Cc1ccnc([C@H]2CCN(Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000257310614 203034775 /nfs/dbraw/zinc/03/47/75/203034775.db2.gz UFWYMIDBFGHKRE-INIZCTEOSA-N 0 3 319.412 3.165 40 0 DGABHN COC[C@H]1CN(CC2CC2)Cc2cn(CC3CCCC3)nc21 ZINC000096059997 193512332 /nfs/dbraw/zinc/51/23/32/193512332.db2.gz QGRTZCZNLAJJIB-QGZVFWFLSA-N 0 3 303.450 3.029 40 0 DGABHN CCC(=O)c1ccc(OC[C@H](O)CN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000016739466 182059497 /nfs/dbraw/zinc/05/94/97/182059497.db2.gz WKLGIIULCGMLEB-HLLBOEOZSA-N 0 3 319.445 3.282 40 0 DGABHN CCC(=O)c1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000016739463 182059505 /nfs/dbraw/zinc/05/95/05/182059505.db2.gz WKLGIIULCGMLEB-ZOBUZTSGSA-N 0 3 319.445 3.282 40 0 DGABHN Cc1cnc2cc(C3CCN(Cc4ccncc4)CC3)[nH]c2n1 ZINC000019239398 182110984 /nfs/dbraw/zinc/11/09/84/182110984.db2.gz OZNBIBMKHDOIOI-UHFFFAOYSA-N 0 3 307.401 3.041 40 0 DGABHN CCOCCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020049466 182183769 /nfs/dbraw/zinc/18/37/69/182183769.db2.gz JRYQZODYHOQHSS-UHFFFAOYSA-N 0 3 318.461 3.075 40 0 DGABHN COC(=O)[C@H](CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000070453732 257128440 /nfs/dbraw/zinc/12/84/40/257128440.db2.gz YJLLJZPQQXPQTL-CYBMUJFWSA-N 0 3 301.308 3.058 40 0 DGABHN CC(C)[C@H](N)c1nnc2ccc(-c3ccc(Cl)cc3)nn21 ZINC000217565039 257131723 /nfs/dbraw/zinc/13/17/23/257131723.db2.gz KLIRRSWHSMOOTP-AWEZNQCLSA-N 0 3 301.781 3.101 40 0 DGABHN O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1NCc1ccccc1 ZINC000585284342 400130180 /nfs/dbraw/zinc/13/01/80/400130180.db2.gz HKOZIHMVMWIWMC-IPMKNSEASA-N 0 3 315.388 3.276 40 0 DGABHN CCc1ccc(C(=O)Nc2nc([C@@H]3CCCN3)cs2)cc1 ZINC000585266742 400130281 /nfs/dbraw/zinc/13/02/81/400130281.db2.gz PFUYUHZCUSDHPZ-ZDUSSCGKSA-N 0 3 301.415 3.382 40 0 DGABHN O=C1Nc2c(cccc2F)C12CCN(Cc1ccccc1)CC2 ZINC000109839122 275024671 /nfs/dbraw/zinc/02/46/71/275024671.db2.gz PCGXLOFCVPZVAZ-UHFFFAOYSA-N 0 3 310.372 3.312 40 0 DGABHN CC(C)C(=O)O[C@@H]1c2cc(OCCN(C)C)ccc2C[C@@H]1C ZINC000001668195 431235207 /nfs/dbraw/zinc/23/52/07/431235207.db2.gz MZHSSHXKQOTGOQ-GUYCJALGSA-N 0 3 305.418 3.060 40 0 DGABHN C[C@@H](O)c1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1 ZINC000007540900 431353222 /nfs/dbraw/zinc/35/32/22/431353222.db2.gz URMYNGAXHBPSJY-CJNGLKHVSA-N 0 3 301.386 3.269 40 0 DGABHN CN1CCC[C@@H](CNC(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000009876421 431446993 /nfs/dbraw/zinc/44/69/93/431446993.db2.gz JENDQUDNNUZUJU-JTQLQIEISA-N 0 3 315.845 3.107 40 0 DGABHN Cc1cccc(NC(=S)NC[C@H]2CCCN(C)C2)c1Cl ZINC000009876203 431447774 /nfs/dbraw/zinc/44/77/74/431447774.db2.gz NQWAJPSIGQGFEG-GFCCVEGCSA-N 0 3 311.882 3.277 40 0 DGABHN CSCC[C@@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000037441188 431846979 /nfs/dbraw/zinc/84/69/79/431846979.db2.gz AADWMJJEQWQGQK-MRVPVSSYSA-N 0 3 300.225 3.078 40 0 DGABHN CSCC[C@@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000037441188 431846981 /nfs/dbraw/zinc/84/69/81/431846981.db2.gz AADWMJJEQWQGQK-MRVPVSSYSA-N 0 3 300.225 3.078 40 0 DGABHN Fc1cccc(N[C@H]2CO[C@]3(CCN(Cc4ccco4)C3)C2)c1 ZINC000096047572 431935616 /nfs/dbraw/zinc/93/56/16/431935616.db2.gz RUBPDDZDTSPLSD-SJLPKXTDSA-N 0 3 316.376 3.264 40 0 DGABHN c1cc(CN2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)co1 ZINC000096046943 431935926 /nfs/dbraw/zinc/93/59/26/431935926.db2.gz NAVOQRSEMVYFPF-IBGZPJMESA-N 0 3 311.429 3.163 40 0 DGABHN Cc1noc(C)c1CN1C[C@H]2C[C@@H](C1)N(Cc1cccs1)C2 ZINC000096058489 431936921 /nfs/dbraw/zinc/93/69/21/431936921.db2.gz HSVYZNUYWNRRNW-CABCVRRESA-N 0 3 317.458 3.059 40 0 DGABHN Cc1ccc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)o1 ZINC000049169683 431937282 /nfs/dbraw/zinc/93/72/82/431937282.db2.gz ADMALIJLBZGECI-AWEZNQCLSA-N 0 3 310.357 3.023 40 0 biogenic,in-vitro DGABHN c1cncc(C[C@@H]2[C@H](OCC3CC3)CCN2Cc2ccncc2)c1 ZINC000096069939 431937422 /nfs/dbraw/zinc/93/74/22/431937422.db2.gz ZXUZRXSSSPLVJE-WOJBJXKFSA-N 0 3 323.440 3.089 40 0 DGABHN CC(C)C(=O)N1CCCC12CCN(Cc1cccc(F)c1)CC2 ZINC000096075190 431937846 /nfs/dbraw/zinc/93/78/46/431937846.db2.gz XFOLGDHWUYKPHW-UHFFFAOYSA-N 0 3 318.436 3.439 40 0 DGABHN O=C(C1CC1)N1CCC2(CCCN2Cc2ccc(F)cc2)CC1 ZINC000096075312 431938268 /nfs/dbraw/zinc/93/82/68/431938268.db2.gz LOCICKIWMOOPHG-UHFFFAOYSA-N 0 3 316.420 3.193 40 0 DGABHN COc1ccc(C[C@H]2CN(Cc3ccco3)CC[C@H]2OC)cc1 ZINC000096110231 431938452 /nfs/dbraw/zinc/93/84/52/431938452.db2.gz ZPOMTPPZFHFOCM-QFBILLFUSA-N 0 3 315.413 3.368 40 0 DGABHN c1csc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c1 ZINC000096110739 431938874 /nfs/dbraw/zinc/93/88/74/431938874.db2.gz UQOWGYIJVJDZDZ-DJIMGWMZSA-N 0 3 307.459 3.297 40 0 DGABHN COC[C@@H]1COCCC12CCN(Cc1cccc(F)c1)CC2 ZINC000096106302 431939055 /nfs/dbraw/zinc/93/90/55/431939055.db2.gz URXQYDROLJMWPU-MRXNPFEDSA-N 0 3 307.409 3.091 40 0 DGABHN c1ccc(CN2CC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)cc1 ZINC000096110877 431939173 /nfs/dbraw/zinc/93/91/73/431939173.db2.gz KVFIAGLMNOHSFL-PMACEKPBSA-N 0 3 324.424 3.032 40 0 DGABHN CN(Cc1ccncc1)C1CC2(C1)CCN(c1ccccn1)CC2 ZINC000096159273 431940603 /nfs/dbraw/zinc/94/06/03/431940603.db2.gz SULYIGBLUWUZHR-UHFFFAOYSA-N 0 3 322.456 3.358 40 0 DGABHN c1coc(CN2CCc3ncnc(-c4ccsc4)c3CC2)c1 ZINC000096255334 431944105 /nfs/dbraw/zinc/94/41/05/431944105.db2.gz XPNFICUKOIWSQD-UHFFFAOYSA-N 0 3 311.410 3.399 40 0 DGABHN CN1CCC(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000128677728 431998408 /nfs/dbraw/zinc/99/84/08/431998408.db2.gz WCXJVLOPVQDKAM-UHFFFAOYSA-N 0 3 302.418 3.288 40 0 DGABHN c1cnc2[nH]c(C3CC3)c(CN3CCN4CCCC[C@H]4C3)c2c1 ZINC000253588891 432400215 /nfs/dbraw/zinc/40/02/15/432400215.db2.gz YDDXBZPYKLEQPH-HNNXBMFYSA-N 0 3 310.445 3.110 40 0 DGABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3ccc(F)cc3)C2)c1 ZINC000257219457 432419055 /nfs/dbraw/zinc/41/90/55/432419055.db2.gz DGVREHFJEJKETD-AWEZNQCLSA-N 0 3 313.376 3.201 40 0 DGABHN CCn1cc(CN2CCC[C@H](Cc3cccc(C)n3)C2)c(C)n1 ZINC000257214607 432419114 /nfs/dbraw/zinc/41/91/14/432419114.db2.gz CMPPTYRIABPXPX-QGZVFWFLSA-N 0 3 312.461 3.370 40 0 DGABHN COc1cc(CN2CCC[C@@H](c3nc(C)c[nH]3)C2)ccc1F ZINC000257213732 432419184 /nfs/dbraw/zinc/41/91/84/432419184.db2.gz CIWOYYKIEIKQNS-CQSZACIVSA-N 0 3 303.381 3.245 40 0 DGABHN Cc1ccnc([C@@H]2CCN(CCCOc3ccccc3F)C2)n1 ZINC000257226058 432421023 /nfs/dbraw/zinc/42/10/23/432421023.db2.gz FIYGJPRVOWQJNA-OAHLLOKOSA-N 0 3 315.392 3.183 40 0 DGABHN CCN1CC[C@@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1 ZINC000257254530 432422254 /nfs/dbraw/zinc/42/22/54/432422254.db2.gz KDMUBDMYVDVKBH-GFCCVEGCSA-N 0 3 303.435 3.103 40 0 DGABHN CC(C)N1CCC[C@@H]1c1cccc(N2C(=O)OCC2(C)C)n1 ZINC000257331984 432424989 /nfs/dbraw/zinc/42/49/89/432424989.db2.gz XVEYIQONISBYBP-CQSZACIVSA-N 0 3 303.406 3.362 40 0 DGABHN COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2)cc1 ZINC000257304156 432425542 /nfs/dbraw/zinc/42/55/42/432425542.db2.gz SKGYLQZVODAXSD-MRXNPFEDSA-N 0 3 312.417 3.033 40 0 DGABHN NCC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1 ZINC000040433789 1086501292 /nfs/dbraw/zinc/50/12/92/1086501292.db2.gz PYOLGMAWZPLCMY-UHFFFAOYSA-N 0 3 301.752 3.361 40 0 DGABHN c1cn(-c2nccnc2C2CCN(Cc3ccccc3)CC2)cn1 ZINC000072350479 191127751 /nfs/dbraw/zinc/12/77/51/191127751.db2.gz DQZGPVIIJMMOFS-UHFFFAOYSA-N 0 3 319.412 3.042 40 0 DGABHN c1ccc(Cc2cncc([C@H]3CCCN3C3CCOCC3)n2)cc1 ZINC000072355703 191130092 /nfs/dbraw/zinc/13/00/92/191130092.db2.gz YNQWYEFFDZOLES-HXUWFJFHSA-N 0 3 323.440 3.383 40 0 DGABHN Cc1cc(CCC(=O)Nc2cccnc2)cc([C@@H]2CCCN2C)n1 ZINC000072360557 191131551 /nfs/dbraw/zinc/13/15/51/191131551.db2.gz LQHZODQUILMVMM-SFHVURJKSA-N 0 3 324.428 3.123 40 0 DGABHN Cc1cnc(CN2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)cn1 ZINC000257274093 203002845 /nfs/dbraw/zinc/00/28/45/203002845.db2.gz NJNGWOUJQRHZSW-MNZLEMJZSA-N 0 3 309.413 3.074 40 0 DGABHN CCCCc1nc(CN2CCC[C@H](c3nc(C)cn3C)C2)c[nH]1 ZINC000257306002 203029868 /nfs/dbraw/zinc/02/98/68/203029868.db2.gz SSMKEJMZMCDPDK-HNNXBMFYSA-N 0 3 315.465 3.174 40 0 DGABHN CCCCc1ncc(CN2CCC[C@H](c3nc(C)cn3C)C2)[nH]1 ZINC000257306002 203029871 /nfs/dbraw/zinc/02/98/71/203029871.db2.gz SSMKEJMZMCDPDK-HNNXBMFYSA-N 0 3 315.465 3.174 40 0 DGABHN Cc1cnc([C@@H]2CCCN(C(=O)CN3CCCCCC3)C2)s1 ZINC000257282743 203010059 /nfs/dbraw/zinc/01/00/59/203010059.db2.gz OVCKSESAHHWLHR-OAHLLOKOSA-N 0 3 321.490 3.034 40 0 DGABHN Cc1cccnc1CN1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257289385 203015598 /nfs/dbraw/zinc/01/55/98/203015598.db2.gz PYJRJNOEIPOFNS-HNNXBMFYSA-N 0 3 307.401 3.041 40 0 DGABHN CC(C)(C)C(=O)NC(=S)Nc1cccc2c(O)cccc12 ZINC000017030828 182068861 /nfs/dbraw/zinc/06/88/61/182068861.db2.gz HDDJNRQOCZCDDH-UHFFFAOYSA-N 0 3 302.399 3.405 40 0 DGABHN CCc1ccc(-c2nn(-c3ccccc3)cc2CNCCO)cc1 ZINC000017309900 182082964 /nfs/dbraw/zinc/08/29/64/182082964.db2.gz QSGBPOMRKZGEFF-UHFFFAOYSA-N 0 3 321.424 3.184 40 0 DGABHN Fc1cccc(CN2CC[C@@H](c3nc(-c4cccnc4)no3)C2)c1 ZINC000019293785 182113477 /nfs/dbraw/zinc/11/34/77/182113477.db2.gz PDSMFJJFGNRRGH-OAHLLOKOSA-N 0 3 324.359 3.260 40 0 DGABHN O[C@]1(c2cccnc2)CCCN(Cc2ccccc2F)CC1 ZINC000019349051 182117934 /nfs/dbraw/zinc/11/79/34/182117934.db2.gz YBXMJCNAVGIPOM-GOSISDBHSA-N 0 3 300.377 3.094 40 0 DGABHN CCOc1ccccc1CN[C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019520208 182127588 /nfs/dbraw/zinc/12/75/88/182127588.db2.gz BFCDUAQCIFDKMI-ZWKOTPCHSA-N 0 3 315.388 3.497 40 0 DGABHN Cc1cc(C(=O)N(C)CCN2CCCCC2)nc2ccccc12 ZINC000019656408 182134002 /nfs/dbraw/zinc/13/40/02/182134002.db2.gz MSMXQCKZYVPMKQ-UHFFFAOYSA-N 0 3 311.429 3.101 40 0 DGABHN COc1ccccc1CN1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000022794658 182334963 /nfs/dbraw/zinc/33/49/63/182334963.db2.gz UOKVAMYHHWWGJP-SCTDSRPQSA-N 0 3 312.457 3.025 40 0 DGABHN O=C(c1csc2ccccc12)N1CC[C@@H](N2CCCC2)C1 ZINC000171444891 432134876 /nfs/dbraw/zinc/13/48/76/432134876.db2.gz GCGNLVJAGGJQMA-CYBMUJFWSA-N 0 3 300.427 3.212 40 0 DGABHN O=C1N(Cc2ccccc2)CC12CCN(Cc1ccccc1)CC2 ZINC000038691618 183006320 /nfs/dbraw/zinc/00/63/20/183006320.db2.gz BALGLKJKWUJKIU-UHFFFAOYSA-N 0 3 320.436 3.311 40 0 DGABHN c1ccc(CN2CCC[C@@H]2c2ccc(N3CCOCC3)nc2)cc1 ZINC000072216151 257124703 /nfs/dbraw/zinc/12/47/03/257124703.db2.gz NFLJSOPSDOGNCB-LJQANCHMSA-N 0 3 323.440 3.255 40 0 DGABHN CO[C@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2cc(F)ccc21 ZINC000096241659 274078907 /nfs/dbraw/zinc/07/89/07/274078907.db2.gz VYRVGMIVYHDGCN-PBHICJAKSA-N 0 3 305.393 3.039 40 0 DGABHN CCN(CC)CCOC(=O)COc1ccc2ccccc2c1 ZINC000001718375 431236647 /nfs/dbraw/zinc/23/66/47/431236647.db2.gz HRMLQGPRKCBIJH-UHFFFAOYSA-N 0 3 301.386 3.104 40 0 DGABHN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NC1CCN(C)CC1 ZINC000113971220 431370170 /nfs/dbraw/zinc/37/01/70/431370170.db2.gz HHPQUXITPHOIFD-MRXNPFEDSA-N 0 3 324.852 3.016 40 0 DGABHN CC(C)N1CCC[C@@H](c2cc(C(F)(F)F)nc3nccn32)C1 ZINC000072367732 431335673 /nfs/dbraw/zinc/33/56/73/431335673.db2.gz HRSKUXJPFMWQGC-LLVKDONJSA-N 0 3 312.339 3.336 40 0 DGABHN C[C@H](O)CNCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008498037 431398704 /nfs/dbraw/zinc/39/87/04/431398704.db2.gz WSBRWFWCLXFYIV-ZDUSSCGKSA-N 0 3 305.805 3.389 40 0 DGABHN COCCNCc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000008550138 431402956 /nfs/dbraw/zinc/40/29/56/431402956.db2.gz XXGCFLGWRUMTDB-UHFFFAOYSA-N 0 3 315.413 3.319 40 0 DGABHN CN(C)C[C@H]1CN(Cc2ccccc2F)Cc2ccccc2O1 ZINC000019582091 431620187 /nfs/dbraw/zinc/62/01/87/431620187.db2.gz HCGIVETWDNALSU-KRWDZBQOSA-N 0 3 314.404 3.151 40 0 DGABHN CC(C)(C)OC(=O)N1CC[C@@H](CNCc2ccccc2F)C1 ZINC000089223582 431861428 /nfs/dbraw/zinc/86/14/28/431861428.db2.gz WDQTURHNFSRHHP-ZDUSSCGKSA-N 0 3 308.397 3.172 40 0 DGABHN O=C1CCOC[C@H]2[C@H]1[C@@H](c1ccccc1)CN2Cc1ccccc1 ZINC000095951712 431927923 /nfs/dbraw/zinc/92/79/23/431927923.db2.gz ZYNSKBKVJJHUEL-SVFBPWRDSA-N 0 3 321.420 3.260 40 0 DGABHN c1csc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096047143 431935953 /nfs/dbraw/zinc/93/59/53/431935953.db2.gz GYKZWRDUHCVUNX-QGZVFWFLSA-N 0 3 314.458 3.031 40 0 DGABHN CN1c2ccccc2C2(CCN(Cc3ccc(F)cc3)CC2)C1=O ZINC000096052494 431936258 /nfs/dbraw/zinc/93/62/58/431936258.db2.gz KXUBJJSDVBLGCS-UHFFFAOYSA-N 0 3 324.399 3.336 40 0 DGABHN Fc1ccc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1 ZINC000096056414 431936929 /nfs/dbraw/zinc/93/69/29/431936929.db2.gz VZGXIEXIPIQLHI-GUDVDZBRSA-N 0 3 319.420 3.374 40 0 DGABHN c1cc(CN2CCC3(C[C@H](OCC4CC4)CO3)CC2)cs1 ZINC000096106608 431938550 /nfs/dbraw/zinc/93/85/50/431938550.db2.gz WQGBUADLDUSHJP-INIZCTEOSA-N 0 3 307.459 3.298 40 0 DGABHN c1cc(CN2CCC3(C[C@H](OCC4CCC4)CO3)CC2)co1 ZINC000096106948 431938936 /nfs/dbraw/zinc/93/89/36/431938936.db2.gz OXLWRABQIDFKSU-KRWDZBQOSA-N 0 3 305.418 3.220 40 0 DGABHN CCc1ccc(CN2CC[C@H](OC)[C@@H]2Cc2cccnc2)o1 ZINC000096200477 431942957 /nfs/dbraw/zinc/94/29/57/431942957.db2.gz ZOLIVUHKRLNKMW-ROUUACIJSA-N 0 3 300.402 3.069 40 0 DGABHN c1ccc(CN2CC[C@@H](OCc3ccccn3)[C@H]3OCC[C@@H]32)cc1 ZINC000096220170 431943095 /nfs/dbraw/zinc/94/30/95/431943095.db2.gz NRKJUXVXIUQGIF-ZCNNSNEGSA-N 0 3 324.424 3.030 40 0 DGABHN Cc1ccc(CN2CCC3(CN(CC(C)C)C3=O)CC2)cc1 ZINC000096202817 431943215 /nfs/dbraw/zinc/94/32/15/431943215.db2.gz MQTVARYNMPXJKA-UHFFFAOYSA-N 0 3 300.446 3.075 40 0 DGABHN c1cc2n(c1)C[C@H](OCc1ccncc1)CN(CC1CCC1)C2 ZINC000253588396 432400607 /nfs/dbraw/zinc/40/06/07/432400607.db2.gz BBAVJVKNQBTLGJ-LJQANCHMSA-N 0 3 311.429 3.084 40 0 DGABHN CCCCc1nc(CN2CCC[C@@H](Cc3n[nH]cc3C)C2)c[nH]1 ZINC000257248279 432422910 /nfs/dbraw/zinc/42/29/10/432422910.db2.gz JCXXSRYKNSZKKX-HNNXBMFYSA-N 0 3 315.465 3.239 40 0 DGABHN CCCCc1ncc(CN2CCC[C@@H](Cc3n[nH]cc3C)C2)[nH]1 ZINC000257248279 432422913 /nfs/dbraw/zinc/42/29/13/432422913.db2.gz JCXXSRYKNSZKKX-HNNXBMFYSA-N 0 3 315.465 3.239 40 0 DGABHN Cc1ncsc1CN1CC[C@@H](c2ncn3ccsc23)C1 ZINC000257283824 432423905 /nfs/dbraw/zinc/42/39/05/432423905.db2.gz OZZKIKVKNKDXOF-LLVKDONJSA-N 0 3 304.444 3.150 40 0 DGABHN Cn1c2ccc(CN3CCC(C)(C4CC4)CC3)cc2oc1=O ZINC000353558234 434227068 /nfs/dbraw/zinc/22/70/68/434227068.db2.gz XMYUVWOHKBTCAS-UHFFFAOYSA-N 0 3 300.402 3.144 40 0 DGABHN c1ccc(C[C@H]2CC3(CO2)CCN(Cc2ccccn2)CC3)nc1 ZINC000257243196 333806072 /nfs/dbraw/zinc/80/60/72/333806072.db2.gz IFVZOZJAWOAYQP-IBGZPJMESA-N 0 3 323.440 3.090 40 0 DGABHN c1cn(-c2cncc([C@@H]3CCCN(Cc4ccccc4)C3)n2)cn1 ZINC000072355451 191128827 /nfs/dbraw/zinc/12/88/27/191128827.db2.gz LTAMGFPDWZOEOS-QGZVFWFLSA-N 0 3 319.412 3.042 40 0 DGABHN COCCN1CCC(c2cncc(-c3ccccc3C)n2)CC1 ZINC000072359354 191130793 /nfs/dbraw/zinc/13/07/93/191130793.db2.gz QJVUGSQXDPPGSS-UHFFFAOYSA-N 0 3 311.429 3.278 40 0 DGABHN OCCN1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072357525 191129792 /nfs/dbraw/zinc/12/97/92/191129792.db2.gz COVLPLBAIPZVQC-OAHLLOKOSA-N 0 3 300.377 3.059 40 0 DGABHN Cn1cc(CN2CC[C@@H](Cc3cccc4cccnc43)C2)cn1 ZINC000072368005 191137262 /nfs/dbraw/zinc/13/72/62/191137262.db2.gz YUIUWTITHFEOKP-HNNXBMFYSA-N 0 3 306.413 3.033 40 0 DGABHN Cc1ccccc1-c1noc([C@H]2CCN(Cc3cccnc3)C2)n1 ZINC000072369938 191139830 /nfs/dbraw/zinc/13/98/30/191139830.db2.gz AHSSVUYRGYPCND-INIZCTEOSA-N 0 3 320.396 3.430 40 0 DGABHN Cc1ccc(CNCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000004896120 181169574 /nfs/dbraw/zinc/16/95/74/181169574.db2.gz AUPGFMHHVUWNJE-UHFFFAOYSA-N 0 3 323.440 3.324 40 0 DGABHN CN1CCC(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000074921013 191388411 /nfs/dbraw/zinc/38/84/11/191388411.db2.gz HUFOFYYDKKVIGT-UHFFFAOYSA-N 0 3 311.223 3.120 40 0 DGABHN COc1ccc(OC[C@@H](O)CN2CCCCC2)c(C(C)(C)C)c1 ZINC000006306051 181327833 /nfs/dbraw/zinc/32/78/33/181327833.db2.gz ZZTSUGQTZLFYFX-HNNXBMFYSA-N 0 3 321.461 3.218 40 0 DGABHN CNc1cc(C)nc([C@H]2CCN(Cc3csc(C)n3)C2)c1 ZINC000257302098 203027294 /nfs/dbraw/zinc/02/72/94/203027294.db2.gz SBNNGSQLXPDMTR-ZDUSSCGKSA-N 0 3 302.447 3.186 40 0 DGABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)Cc3cccs3)C2)c1 ZINC000257283349 203009745 /nfs/dbraw/zinc/00/97/45/203009745.db2.gz OXXIUYOYOCBRGR-CYBMUJFWSA-N 0 3 315.442 3.052 40 0 DGABHN c1nc(CN2CCC[C@H](Cc3ccnc4ccncc34)CC2)c[nH]1 ZINC000257284327 203011877 /nfs/dbraw/zinc/01/18/77/203011877.db2.gz PCGAVQKMWGZVQD-HNNXBMFYSA-N 0 3 321.428 3.198 40 0 DGABHN c1ncc(CN2CCC[C@H](Cc3ccnc4ccncc34)CC2)[nH]1 ZINC000257284327 203011880 /nfs/dbraw/zinc/01/18/80/203011880.db2.gz PCGAVQKMWGZVQD-HNNXBMFYSA-N 0 3 321.428 3.198 40 0 DGABHN Clc1ccccc1C[C@@H]1COCCN(C2CCOCC2)C1 ZINC000257293763 203018375 /nfs/dbraw/zinc/01/83/75/203018375.db2.gz QRCMTONRVUAANO-AWEZNQCLSA-N 0 3 309.837 3.010 40 0 DGABHN Cc1c[nH]nc1[C@@H]1CCN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000257328909 203052354 /nfs/dbraw/zinc/05/23/54/203052354.db2.gz XHOFEHVCWWOSRI-QGZVFWFLSA-N 0 3 319.412 3.165 40 0 DGABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3sccc3C)C2)c1 ZINC000257316792 203039956 /nfs/dbraw/zinc/03/99/56/203039956.db2.gz VHABEZPQGVBIGC-ZDUSSCGKSA-N 0 3 315.442 3.431 40 0 DGABHN Fc1cccc(CN2CC[C@H](c3nc(-c4cccnc4)no3)C2)c1 ZINC000019293786 182113448 /nfs/dbraw/zinc/11/34/48/182113448.db2.gz PDSMFJJFGNRRGH-HNNXBMFYSA-N 0 3 324.359 3.260 40 0 DGABHN CC(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 ZINC000019021227 182103927 /nfs/dbraw/zinc/10/39/27/182103927.db2.gz STHHSFJHHWAUTG-UHFFFAOYSA-N 0 3 318.436 3.238 40 0 DGABHN Fc1ccc(CN2CCC(c3cc4nccnc4[nH]3)CC2)cc1 ZINC000019333871 182116845 /nfs/dbraw/zinc/11/68/45/182116845.db2.gz ZUSHQLLDQJTETJ-UHFFFAOYSA-N 0 3 310.376 3.477 40 0 DGABHN c1csc(-c2noc([C@@H]3CCN(Cc4cccnc4)C3)n2)c1 ZINC000019338868 182117123 /nfs/dbraw/zinc/11/71/23/182117123.db2.gz ZIMWQOHYIUIIGX-CYBMUJFWSA-N 0 3 312.398 3.183 40 0 DGABHN O=C1CC[C@@H](NCc2cccs2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019343752 182118027 /nfs/dbraw/zinc/11/80/27/182118027.db2.gz INQQGQBMBMZNTP-ZBFHGGJFSA-N 0 3 322.380 3.136 40 0 DGABHN Fc1ccccc1CN1CC[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000019348832 182118166 /nfs/dbraw/zinc/11/81/66/182118166.db2.gz VRZXYZGKJRQKQT-HNNXBMFYSA-N 0 3 324.359 3.260 40 0 DGABHN COc1ccc(CNCCc2ccccc2F)c(OC)c1OC ZINC000022074692 182307755 /nfs/dbraw/zinc/30/77/55/182307755.db2.gz JSDSZGCQZLUNIQ-UHFFFAOYSA-N 0 3 319.376 3.184 40 0 DGABHN CC(C)CN1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216244 257125233 /nfs/dbraw/zinc/12/52/33/257125233.db2.gz PVTQZNJHLHMHTN-QGZVFWFLSA-N 0 3 303.450 3.101 40 0 DGABHN COCC[C@@H]1CCOC12CCN(Cc1ccc(C)s1)CC2 ZINC000585102960 400125135 /nfs/dbraw/zinc/12/51/35/400125135.db2.gz MMHKGTBRCZTBGH-OAHLLOKOSA-N 0 3 309.475 3.464 40 0 DGABHN C[C@@H]1CN([C@H](CN)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000108350279 262485574 /nfs/dbraw/zinc/48/55/74/262485574.db2.gz XKHZFFVTORRINN-ISTVAULSSA-N 0 3 303.233 3.102 40 0 DGABHN Cc1cccc(CO[C@@H]2CSC3(CN(C4CCC4)C3)C2)n1 ZINC000247880929 432252871 /nfs/dbraw/zinc/25/28/71/432252871.db2.gz QYFJQAFFBVOPPK-INIZCTEOSA-N 0 3 304.459 3.019 40 0 DGABHN C[C@@H](NC[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000035313699 274249147 /nfs/dbraw/zinc/24/91/47/274249147.db2.gz FGYNLHYPJDPKLK-WBVHZDCISA-N 0 3 324.424 3.449 40 0 DGABHN CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2)n1 ZINC000257240129 276897500 /nfs/dbraw/zinc/89/75/00/276897500.db2.gz HSDYRUQDLJCIJP-HNNXBMFYSA-N 0 3 300.381 3.163 40 0 DGABHN C[C@H](c1ccccn1)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100191358 278313328 /nfs/dbraw/zinc/31/33/28/278313328.db2.gz RJJBZKVBRLYUMB-CABCVRRESA-N 0 3 319.449 3.379 40 0 DGABHN COc1cc2c3c(c1OCc1ccccc1)NCC[C@@H]3NCC2 ZINC000001619698 431231883 /nfs/dbraw/zinc/23/18/83/431231883.db2.gz GYXBHLYSDHWPLS-HNNXBMFYSA-N 0 3 310.397 3.277 40 0 DGABHN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(C)C)C1 ZINC000072370209 431335982 /nfs/dbraw/zinc/33/59/82/431335982.db2.gz CMEYGQKQGDAWAL-LBPRGKRZSA-N 0 3 302.443 3.459 40 0 DGABHN CCOc1cc(CNCc2ccc(OC)cc2)ccc1OC ZINC000007538534 431352789 /nfs/dbraw/zinc/35/27/89/431352789.db2.gz LLATXWJZBZRQOB-UHFFFAOYSA-N 0 3 301.386 3.392 40 0 DGABHN COC(=O)c1ccc(-c2ccc(CNC[C@H]3CCCO3)o2)cc1 ZINC000007538914 431354763 /nfs/dbraw/zinc/35/47/63/431354763.db2.gz SVZFMPFNBBHWHO-OAHLLOKOSA-N 0 3 315.369 3.002 40 0 DGABHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(Cc2ccccc2)CC1 ZINC000009062538 431420116 /nfs/dbraw/zinc/42/01/16/431420116.db2.gz ACHAGXCFPCJKQR-QXAKKESOSA-N 0 3 312.457 3.203 40 0 DGABHN COc1cc(CNC[C@@H](C)O)ccc1OCc1ccc(C)cc1 ZINC000008550145 431402103 /nfs/dbraw/zinc/40/21/03/431402103.db2.gz LVGYXBPNTWYEJG-OAHLLOKOSA-N 0 3 315.413 3.053 40 0 DGABHN CC(C)c1ccc(NC(=S)NC[C@@H]2CCCN(C)C2)cc1 ZINC000009876429 431446317 /nfs/dbraw/zinc/44/63/17/431446317.db2.gz PXWPPZKJNPQFJZ-AWEZNQCLSA-N 0 3 305.491 3.438 40 0 DGABHN COc1ccc(CN2CCC(n3cnc4cccnc43)CC2)cc1 ZINC000012114636 431491985 /nfs/dbraw/zinc/49/19/85/431491985.db2.gz ZNPNPMFJFVTQTA-UHFFFAOYSA-N 0 3 322.412 3.277 40 0 DGABHN Cc1ccc(C2(CN3CCC(NC(=O)C4CC4)CC3)CC2)cc1 ZINC000012187190 431495572 /nfs/dbraw/zinc/49/55/72/431495572.db2.gz JZLZFHSEHZZFIE-UHFFFAOYSA-N 0 3 312.457 3.017 40 0 DGABHN O=C1CCN(Cc2ccccc2)CCN1Cc1cccc(F)c1 ZINC000013267117 431552537 /nfs/dbraw/zinc/55/25/37/431552537.db2.gz YFCDHFHFGUZFBG-UHFFFAOYSA-N 0 3 312.388 3.060 40 0 DGABHN COc1cc2c(cc1OC)[C@H]1C[C@H](O)[C@@H](CC(C)C)CN1CC2 ZINC000013983450 431573978 /nfs/dbraw/zinc/57/39/78/431573978.db2.gz WEQLWGNDNRARGE-UAGQMJEPSA-N 0 3 319.445 3.030 40 0 world DGABHN COc1ccc(CN(CCO)Cc2cccs2)c(C)c1C ZINC000013997532 431575983 /nfs/dbraw/zinc/57/59/83/431575983.db2.gz WXBNPSWGEWQYIM-UHFFFAOYSA-N 0 3 305.443 3.368 40 0 DGABHN COc1cc(Br)c(CNC(C)(C)C)cc1OC ZINC000035222796 431828836 /nfs/dbraw/zinc/82/88/36/431828836.db2.gz MXLQHILTLDYTIC-UHFFFAOYSA-N 0 3 302.212 3.354 40 0 DGABHN Cc1ccc(CN2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)s1 ZINC000096048557 431934848 /nfs/dbraw/zinc/93/48/48/431934848.db2.gz VVCOFBDMQNUGCT-DOTOQJQBSA-N 0 3 317.458 3.249 40 0 DGABHN Cc1ccsc1CN1CC[C@H]2C[C@H](c3noc(C)n3)O[C@@H]2C1 ZINC000096046192 431935132 /nfs/dbraw/zinc/93/51/32/431935132.db2.gz LRYVKTNQGVHGEG-BFHYXJOUSA-N 0 3 319.430 3.100 40 0 DGABHN Cc1ccc(CNC[C@H]2OCCc3cn(CC4CC4)nc32)s1 ZINC000096044350 431935729 /nfs/dbraw/zinc/93/57/29/431935729.db2.gz WIRGZCYEKOLZRO-MRXNPFEDSA-N 0 3 317.458 3.067 40 0 DGABHN Cc1cccc(CN2CC[C@@]3(CCN(Cc4ccoc4)C3)C2=O)c1 ZINC000096050564 431935745 /nfs/dbraw/zinc/93/57/45/431935745.db2.gz NSNMBOIHBLXAOF-HXUWFJFHSA-N 0 3 324.424 3.213 40 0 DGABHN COC[C@@H]1CN(CC2CC2)Cc2cn(CC3CCCC3)nc21 ZINC000096059996 431936607 /nfs/dbraw/zinc/93/66/07/431936607.db2.gz QGRTZCZNLAJJIB-KRWDZBQOSA-N 0 3 303.450 3.029 40 0 DGABHN CO[C@H]1COC2(C1)CCN(Cc1ccc3ccccc3n1)CC2 ZINC000096106540 431938995 /nfs/dbraw/zinc/93/89/95/431938995.db2.gz WCSFQGXSWXZUJB-QGZVFWFLSA-N 0 3 312.413 3.005 40 0 DGABHN Cc1cccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccsc2)n1 ZINC000096184739 431941427 /nfs/dbraw/zinc/94/14/27/431941427.db2.gz OKKMGSVCPLYIFB-MSOLQXFVSA-N 0 3 313.470 3.300 40 0 DGABHN Cc1ccc(CN2CC3(C2)CCN(Cc2ccncc2)C3)s1 ZINC000096202552 431942906 /nfs/dbraw/zinc/94/29/06/431942906.db2.gz NSXZHIIXJQBQRS-UHFFFAOYSA-N 0 3 313.470 3.159 40 0 DGABHN c1coc(CN2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)c1 ZINC000096200781 431943065 /nfs/dbraw/zinc/94/30/65/431943065.db2.gz RDCOTLOJEVQQKJ-OALUTQOASA-N 0 3 312.413 3.287 40 0 DGABHN CC1=C[C@H](C)[C@H]([C@@H]2NC(=N)Nc3nc4ccccc4n32)[C@H](C)C1 ZINC000053944166 431965696 /nfs/dbraw/zinc/96/56/96/431965696.db2.gz MPVKDSOURSACLP-SHUKQUCYSA-N 0 3 309.417 3.323 40 0 DGABHN c1cc(C[C@@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000257232313 432420375 /nfs/dbraw/zinc/42/03/75/432420375.db2.gz GKIILHVYIYFKAB-HNNXBMFYSA-N 0 3 309.413 3.140 40 0 DGABHN O=C1CCC[C@]2(CN(CC3CCC3)C[C@H]2c2ccccc2F)N1 ZINC000257230526 432421164 /nfs/dbraw/zinc/42/11/64/432421164.db2.gz GCSQGQGIGGATSB-QFBILLFUSA-N 0 3 316.420 3.064 40 0 DGABHN CCN(C(C)=O)[C@@H]1CN(Cc2cccnc2)C2(C1)CCCCC2 ZINC000257243757 432422123 /nfs/dbraw/zinc/42/21/23/432422123.db2.gz IIKYOQSABPSVMT-SFHVURJKSA-N 0 3 315.461 3.227 40 0 DGABHN CO[C@H]1CCN(Cc2cccc3cccnc32)C[C@@]12CCCO2 ZINC000257318093 432424588 /nfs/dbraw/zinc/42/45/88/432424588.db2.gz VMMHVTCJJVRUEE-HKUYNNGSSA-N 0 3 312.413 3.005 40 0 DGABHN CN(Cc1ccc(OCCF)cc1)C[C@@H](O)c1ccccc1 ZINC000257321823 432425224 /nfs/dbraw/zinc/42/52/24/432425224.db2.gz WDJRTGRRKWDVPA-GOSISDBHSA-N 0 3 303.377 3.200 40 0 DGABHN COc1ccc(Cl)cc1C(=O)NCCN1C[C@H](C)C[C@H](C)C1 ZINC000225039495 432684824 /nfs/dbraw/zinc/68/48/24/432684824.db2.gz UPOYVRKAGGSLMG-BETUJISGSA-N 0 3 324.852 3.056 40 0 DGABHN Clc1ccc(-c2nc(N3CCNCC3)nc3ccccc32)cc1 ZINC000095618963 294102980 /nfs/dbraw/zinc/10/29/80/294102980.db2.gz XCGKTWCQAOWYIP-UHFFFAOYSA-N 0 3 324.815 3.360 40 0 DGABHN CO[C@@H]1CCCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000377240538 313031610 /nfs/dbraw/zinc/03/16/10/313031610.db2.gz DGSQLCVOLMDNPC-GOSISDBHSA-N 0 3 313.445 3.490 40 0 DGABHN CCC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000176629189 528991422 /nfs/dbraw/zinc/99/14/22/528991422.db2.gz LSZJIPKKWDKRFW-UHFFFAOYSA-N 0 3 300.446 3.348 40 0 DGABHN