smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1cn(CCCO)c2ccccc12)Cc1n[nH]c2c1CCCC2 ZINC000012147143 204436998 /nfs/dbraw/zinc/43/69/98/204436998.db2.gz NTWLRADYTHINQG-UHFFFAOYSA-N 0 1 352.482 3.258 40 0 FGABMN O=C([C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCOCC1 ZINC000038832736 205043228 /nfs/dbraw/zinc/04/32/28/205043228.db2.gz OFTWEEHNKFELBR-CYBMUJFWSA-N 0 1 357.281 3.064 40 0 FGABMN COc1ccc(OC)c(NS(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000047454285 205147305 /nfs/dbraw/zinc/14/73/05/205147305.db2.gz ZWWOHZNLFRXVLI-UHFFFAOYSA-N 0 1 351.424 3.130 40 0 FGABMN COc1ccc(CCNC(=O)c2c[nH]c3cc(C)ccc3c2=O)cc1OC ZINC000012498557 206291833 /nfs/dbraw/zinc/29/18/33/206291833.db2.gz YPFOBLBHWPEROU-UHFFFAOYSA-N 0 1 366.417 3.239 40 0 FGABMN CCn1c2ccc(S(=O)(=O)Nc3ccccc3SC)cc2oc1=O ZINC000019936843 220306749 /nfs/dbraw/zinc/30/67/49/220306749.db2.gz FVKAWIXOTNLJBH-UHFFFAOYSA-N 0 1 364.448 3.137 40 0 FGABMN O=C([O-])C[N@@H+](CCc1ccccc1)C1CCN(c2ccccc2F)CC1 ZINC000257319247 132297210 /nfs/dbraw/zinc/29/72/10/132297210.db2.gz VRMSFMQBRJVGQR-UHFFFAOYSA-N 0 1 356.441 3.424 40 0 FGABMN Cc1cccc(OC[C@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000026780880 136153275 /nfs/dbraw/zinc/15/32/75/136153275.db2.gz INMDXJZPIRRHAP-LJQANCHMSA-N 0 1 360.885 3.210 40 0 FGABMN CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)c3ccccc3)n2)cc1 ZINC000007610226 494030703 /nfs/dbraw/zinc/03/07/03/494030703.db2.gz MTMJCISCXAEDLH-UHFFFAOYSA-N 0 1 352.419 3.405 40 0 FGABMN C[C@H]1CN(C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000035088617 494071157 /nfs/dbraw/zinc/07/11/57/494071157.db2.gz UDINVXGKTWEHRM-JKWXVORWSA-N 0 1 351.531 3.080 40 0 FGABMN O=C(/C=C/c1cc([N+](=O)[O-])ccc1O)N1CCCC[C@H]1c1cccnc1 ZINC000036656456 494094855 /nfs/dbraw/zinc/09/48/55/494094855.db2.gz YMDRYUYZFIPCEV-NADMHLTPSA-N 0 1 353.378 3.462 40 0 FGABMN COc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000010475495 494154832 /nfs/dbraw/zinc/15/48/32/494154832.db2.gz OPBQABSSSVSYAU-UHFFFAOYSA-N 0 1 358.398 3.350 40 0 FGABMN c1nnc([N-]c2cncc([C@@H]3CCC[N@@H+]3CCc3ccccc3)n2)s1 ZINC000072376240 494160085 /nfs/dbraw/zinc/16/00/85/494160085.db2.gz SQAUNVBEJPLUMM-INIZCTEOSA-N 0 1 352.467 3.451 40 0 FGABMN CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000012135395 494206715 /nfs/dbraw/zinc/20/67/15/494206715.db2.gz KOQHNMOEEYUCJR-UGKGYDQZSA-N 0 1 365.477 3.103 40 0 FGABMN CN(C)[C@H](CNC(=O)Cn1ccc2ccc(F)cc21)c1ccc(F)cc1 ZINC000012148448 494209172 /nfs/dbraw/zinc/20/91/72/494209172.db2.gz DBFKOBNJZTXDQK-LJQANCHMSA-N 0 1 357.404 3.339 40 0 FGABMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[C@H](C3CCCCC3)C2)n[nH]1 ZINC000012147562 494209552 /nfs/dbraw/zinc/20/95/52/494209552.db2.gz WLOFPOGPGLOYHY-INIZCTEOSA-N 0 1 355.486 3.469 40 0 FGABMN O=C(CCn1c(C(F)F)cc2cccnc21)N1CCN2CCCC[C@H]2C1 ZINC000012187302 494210990 /nfs/dbraw/zinc/21/09/90/494210990.db2.gz AHNHBHMYJWKXFE-HNNXBMFYSA-N 0 1 362.424 3.061 40 0 FGABMN O=c1cc(-c2cccnc2)nc([C@@H]2CCN(Cc3ccc(F)c(F)c3)C2)[nH]1 ZINC000019340320 494442413 /nfs/dbraw/zinc/44/24/13/494442413.db2.gz VAGBXCDQHNZRLP-OAHLLOKOSA-N 0 1 368.387 3.100 40 0 FGABMN O=c1cc([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)nc(-c2ccccn2)[n-]1 ZINC000019402862 494444951 /nfs/dbraw/zinc/44/49/51/494444951.db2.gz JRJGFFNNKLDWFY-CQSZACIVSA-N 0 1 368.387 3.100 40 0 FGABMN O=c1cc([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)nc(-c2ccccn2)[n-]1 ZINC000019402862 494444956 /nfs/dbraw/zinc/44/49/56/494444956.db2.gz JRJGFFNNKLDWFY-CQSZACIVSA-N 0 1 368.387 3.100 40 0 FGABMN CCOc1ccc(CN2CCc3nc([C@H]4CCCCN4)ncc3C2)cc1 ZINC000019533354 494448079 /nfs/dbraw/zinc/44/80/79/494448079.db2.gz XDADTZCVQIUNKT-HXUWFJFHSA-N 0 1 352.482 3.248 40 0 FGABMN COc1ccccc1CN1CCC(c2noc(-c3ccc(=O)[nH]c3)n2)CC1 ZINC000019570164 494450614 /nfs/dbraw/zinc/45/06/14/494450614.db2.gz VPGJLIYGIPFJFT-UHFFFAOYSA-N 0 1 366.421 3.225 40 0 FGABMN Cc1noc2nc([C@@H]3CCCN(C(=O)c4ccn[nH]4)C3)cc(C(F)F)c12 ZINC000019564109 494450669 /nfs/dbraw/zinc/45/06/69/494450669.db2.gz JDYNOITVUUDDQM-SNVBAGLBSA-N 0 1 361.352 3.212 40 0 FGABMN COc1ccc([C@H](C)NC(=O)c2c[nH]c3ccccc3c2=O)cc1OC ZINC000022234050 494517720 /nfs/dbraw/zinc/51/77/20/494517720.db2.gz YOBALSSNHFHOBQ-LBPRGKRZSA-N 0 1 352.390 3.036 40 0 FGABMN Cc1noc(C)c1CN1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC000096040345 494998424 /nfs/dbraw/zinc/99/84/24/494998424.db2.gz UOUGWAPGLGPUMC-AZUAARDMSA-N 0 1 357.454 3.137 40 0 FGABMN CCOC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000100257482 495064183 /nfs/dbraw/zinc/06/41/83/495064183.db2.gz HRCFAYNDHAZOKR-JKSUJKDBSA-N 0 1 357.793 3.176 40 0 FGABMN CCC[C@H]1c2c(O)n(-c3ccc(OC)cc3)c(O)c2ON1c1ccccc1 ZINC000100840393 495066417 /nfs/dbraw/zinc/06/64/17/495066417.db2.gz PJKMBJVXWCXJEX-OTWHNJEPSA-N 0 1 366.417 3.174 40 0 FGABMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(OC)c2ncccc12 ZINC000223254357 497034391 /nfs/dbraw/zinc/03/43/91/497034391.db2.gz MARDJPNLADFDJA-UHFFFAOYSA-N 0 1 358.419 3.361 40 0 FGABMN Cc1csc(Nc2nccnc2[C@@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000257214165 497392403 /nfs/dbraw/zinc/39/24/03/497392403.db2.gz CKWJALLVZCLRHM-OAHLLOKOSA-N 0 1 369.498 3.098 40 0 FGABMN CN(C)Cc1cc([C@@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)ccn1 ZINC000257233742 497393466 /nfs/dbraw/zinc/39/34/66/497393466.db2.gz GQNUJUDVCXMTAR-KRWDZBQOSA-N 0 1 355.486 3.141 40 0 FGABMN CN(C)Cc1cccc([C@@H]2CCCN2C(=O)CCOc2ccccc2)n1 ZINC000257243637 497395154 /nfs/dbraw/zinc/39/51/54/497395154.db2.gz IHWSKAQCWKZTQC-FQEVSTJZSA-N 0 1 353.466 3.276 40 0 FGABMN Cn1cnc(CN2CCC[C@@H](Cc3cccc(Nc4ccccn4)n3)C2)c1 ZINC000257276139 497398040 /nfs/dbraw/zinc/39/80/40/497398040.db2.gz NSMMWMGXTDRRMW-KRWDZBQOSA-N 0 1 362.481 3.408 40 0 FGABMN CCCn1c2ccccc2nc1CN1CC[C@H]2[C@H]1CCCCC(=O)N2C ZINC000257278987 497398196 /nfs/dbraw/zinc/39/81/96/497398196.db2.gz OENHLQQMFXODCC-RBUKOAKNSA-N 0 1 354.498 3.422 40 0 FGABMN Cc1cccc(Nc2nccnc2[C@@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000257287005 497398938 /nfs/dbraw/zinc/39/89/38/497398938.db2.gz PNZUXHJEIBBVLL-QGZVFWFLSA-N 0 1 363.469 3.037 40 0 FGABMN CC(=O)NCc1cccc([C@H]2CCC[N@H+]2CCOc2ccc(F)cc2)n1 ZINC000257302178 497400641 /nfs/dbraw/zinc/40/06/41/497400641.db2.gz SBUSYMIGSFYRLS-HXUWFJFHSA-N 0 1 357.429 3.073 40 0 FGABMN Cn1ccnc1C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257318125 497401881 /nfs/dbraw/zinc/40/18/81/497401881.db2.gz VMPPDVMTZJZHSZ-HNNXBMFYSA-N 0 1 365.433 3.443 40 0 FGABMN COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccoc4)C2)OC3)cc1 ZINC000306136009 498741132 /nfs/dbraw/zinc/74/11/32/498741132.db2.gz PGJSAWQUEOMXBW-OAQYLSRUSA-N 0 1 365.433 3.327 40 0 FGABMN Fc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccoc4)C2)OC3)c1 ZINC000306144847 498742201 /nfs/dbraw/zinc/74/22/01/498742201.db2.gz ZQEADNDTOSHAKX-HXUWFJFHSA-N 0 1 353.397 3.457 40 0 FGABMN O=C([O-])CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000408609079 499593147 /nfs/dbraw/zinc/59/31/47/499593147.db2.gz NRZCMLVKSZWSKR-LJQANCHMSA-N 0 1 370.424 3.190 40 0 FGABMN CC[C@H](OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000023224650 536033281 /nfs/dbraw/zinc/03/32/81/536033281.db2.gz QTJLKSUHKYWLJD-VXKWHMMOSA-N 0 1 372.484 3.477 40 0 FGABMN COc1ccccc1NC(=O)CCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000000806679 537081051 /nfs/dbraw/zinc/08/10/51/537081051.db2.gz VXDRQQIBVNRYMQ-UHFFFAOYSA-N 0 1 373.884 3.499 40 0 FGABMN CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000409383709 570754504 /nfs/dbraw/zinc/75/45/04/570754504.db2.gz BCMHDAYCGROQTO-UHFFFAOYSA-N 0 1 352.843 3.117 40 0 FGABMN CC(C)NC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(C2CCCC2)nn1C ZINC000008635315 291067449 /nfs/dbraw/zinc/06/74/49/291067449.db2.gz PSPRHVQAQUUSAJ-KSZLIROESA-N 0 1 374.529 3.390 40 0 biogenic,in-vitro FGABMN CC(C)NC(=O)OC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(C2CCCC2)nn1C ZINC000008635315 291067445 /nfs/dbraw/zinc/06/74/45/291067445.db2.gz PSPRHVQAQUUSAJ-KSZLIROESA-N 0 1 374.529 3.390 40 0 biogenic,in-vitro FGABMN O=C(N[C@H]1CN2CCC1CC2)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000001638952 204015195 /nfs/dbraw/zinc/01/51/95/204015195.db2.gz STUMSZIDQWXWCF-IBGZPJMESA-N 0 1 356.416 3.307 40 0 FGABMN C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1I ZINC000039951848 205047045 /nfs/dbraw/zinc/04/70/45/205047045.db2.gz KPYKCFMYJUPGDR-JTQLQIEISA-N 0 1 359.207 3.364 40 0 FGABMN Cc1cc(N2CCc3cc(Cl)ccc3C2)nc(N[C@H](CO)C(C)C)n1 ZINC000329051435 132372950 /nfs/dbraw/zinc/37/29/50/132372950.db2.gz UXEKBTFVUDWGGQ-QGZVFWFLSA-N 0 1 360.889 3.430 40 0 FGABMN Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c(N)cc2Cl)cc1 ZINC000072229071 136143798 /nfs/dbraw/zinc/14/37/98/136143798.db2.gz BIMSJGKXBSOHNG-UHFFFAOYSA-N 0 1 358.873 3.235 40 0 FGABMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000006472874 493964968 /nfs/dbraw/zinc/96/49/68/493964968.db2.gz YJQDZKMECBBWIL-WUXMJOGZSA-N 0 1 365.172 3.248 40 0 FGABMN O=C(C1CCN(Cc2ccccc2F)CC1)N1CC(=O)Nc2ccccc21 ZINC000039763446 494124102 /nfs/dbraw/zinc/12/41/02/494124102.db2.gz BVEPGUFJPIBQIT-UHFFFAOYSA-N 0 1 367.424 3.023 40 0 FGABMN C[C@@H]1C[C@@H](OC[C@H](O)CN2CCN(c3ccccc3)CC2)CC(C)(C)C1 ZINC000039931587 494124219 /nfs/dbraw/zinc/12/42/19/494124219.db2.gz KNTYPEPXUKNULI-HMXCVIKNSA-N 0 1 360.542 3.401 40 0 FGABMN CC(=O)N1CCN(Cc2ccc(Cl)cc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355078 494157146 /nfs/dbraw/zinc/15/71/46/494157146.db2.gz CAWJNYJIIGRYBG-GOSISDBHSA-N 0 1 357.885 3.258 40 0 FGABMN COc1ccc(CN2CCC[C@H]2c2ccnc(Nc3cncnc3)n2)cc1 ZINC000072377449 494159659 /nfs/dbraw/zinc/15/96/59/494159659.db2.gz RILKHPFTBLNJIY-IBGZPJMESA-N 0 1 362.437 3.356 40 0 FGABMN CN(CCOc1ccccc1)Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392681 494161776 /nfs/dbraw/zinc/16/17/76/494161776.db2.gz AFLOOOCJHRYTFX-UHFFFAOYSA-N 0 1 359.433 3.302 40 0 FGABMN CC(=O)N1Cc2ccccc2OC2(CCN(Cc3cccc(C)n3)CC2)C1 ZINC000012133542 494206739 /nfs/dbraw/zinc/20/67/39/494206739.db2.gz WOPZDTNHKCQWTM-UHFFFAOYSA-N 0 1 365.477 3.166 40 0 FGABMN COc1ccccc1C[N@H+]1CC[C@H](c2cc3nc(C)c(C)c(=O)n3[n-]2)C1 ZINC000012255203 494217976 /nfs/dbraw/zinc/21/79/76/494217976.db2.gz QIXNJHOMFCUUHM-HNNXBMFYSA-N 0 1 352.438 3.050 40 0 FGABMN O=c1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)nc(-c2cccs2)[n-]1 ZINC000019344643 494442442 /nfs/dbraw/zinc/44/24/42/494442442.db2.gz CFQORKXCLMEGQU-HNNXBMFYSA-N 0 1 352.463 3.273 40 0 FGABMN O=c1cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(-c2cccs2)[n-]1 ZINC000019344643 494442446 /nfs/dbraw/zinc/44/24/46/494442446.db2.gz CFQORKXCLMEGQU-HNNXBMFYSA-N 0 1 352.463 3.273 40 0 FGABMN CC(C)CNC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000020241719 494469353 /nfs/dbraw/zinc/46/93/53/494469353.db2.gz WAWBQAACNLNXQT-UHFFFAOYSA-N 0 1 351.494 3.395 40 0 FGABMN CN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1cccnc1)CC2 ZINC000096036987 494997149 /nfs/dbraw/zinc/99/71/49/494997149.db2.gz XLBBDFHFTGJIOC-UHFFFAOYSA-N 0 1 373.504 3.382 40 0 FGABMN Fc1ccc(CN2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC000096051183 494999441 /nfs/dbraw/zinc/99/94/41/494999441.db2.gz JCOWTHKQPIPDFA-GOSISDBHSA-N 0 1 362.399 3.353 40 0 FGABMN CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(F)cc3)O2)CC1 ZINC000096057540 495000123 /nfs/dbraw/zinc/00/01/23/495000123.db2.gz NDHCPQPCXHBVQP-VAMGGRTRSA-N 0 1 360.473 3.206 40 0 FGABMN Cc1cccc(CN2CCC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)n1 ZINC000096107566 495001913 /nfs/dbraw/zinc/00/19/13/495001913.db2.gz PEKRHMVSXCGXLQ-PXNSSMCTSA-N 0 1 357.429 3.127 40 0 FGABMN CN(C)C(=O)N1CCC[C@@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096215561 495007576 /nfs/dbraw/zinc/00/75/76/495007576.db2.gz UOORAPIJEPVMOM-SFHVURJKSA-N 0 1 353.869 3.449 40 0 FGABMN Cc1nc(CN2C(=O)CCC23CCN(Cc2cccnc2)CC3)cs1 ZINC000096228185 495007954 /nfs/dbraw/zinc/00/79/54/495007954.db2.gz JYDOFFSBMIFPLW-UHFFFAOYSA-N 0 1 356.495 3.004 40 0 FGABMN Fc1cccnc1N1CC[C@]2(C1)CN(Cc1ccncc1)CCC2(F)F ZINC000096239649 495008675 /nfs/dbraw/zinc/00/86/75/495008675.db2.gz OJAOQTPDXIRCTQ-GOSISDBHSA-N 0 1 362.399 3.353 40 0 FGABMN Cc1ccc(C)c(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 ZINC000223324326 497035596 /nfs/dbraw/zinc/03/55/96/497035596.db2.gz YKHFECWSAREWHK-UHFFFAOYSA-N 0 1 352.799 3.192 40 0 FGABMN O=C([O-])c1ccccc1-n1cc(C[N@H+]2CCC[C@H](c3ccccn3)C2)cn1 ZINC000257292204 497399728 /nfs/dbraw/zinc/39/97/28/497399728.db2.gz QKLPMWZKJWDLGJ-KRWDZBQOSA-N 0 1 362.433 3.345 40 0 FGABMN COc1ccc(CN2CCC[C@@H]2c2nc(C)ncc2CN(C)C)c(F)c1 ZINC000257293330 497399949 /nfs/dbraw/zinc/39/99/49/497399949.db2.gz QPAGJHUZACQFAL-LJQANCHMSA-N 0 1 358.461 3.331 40 0 FGABMN Cc1nccc(CN2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)n1 ZINC000257344501 497405187 /nfs/dbraw/zinc/40/51/87/497405187.db2.gz ZXPUDJOZRGPDIQ-SFTDATJTSA-N 0 1 353.466 3.125 40 0 FGABMN C[N@@H+](Cc1ccccc1C(=O)[O-])[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257340155 497405283 /nfs/dbraw/zinc/40/52/83/497405283.db2.gz ZEUDLUDRKONMIU-AABGKKOBSA-N 0 1 355.434 3.178 40 0 FGABMN c1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)co1 ZINC000306124645 498737147 /nfs/dbraw/zinc/73/71/47/498737147.db2.gz BVSYJHQDGNIVJN-QGZVFWFLSA-N 0 1 351.454 3.302 40 0 FGABMN c1cc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)co1 ZINC000306124645 498737151 /nfs/dbraw/zinc/73/71/51/498737151.db2.gz BVSYJHQDGNIVJN-QGZVFWFLSA-N 0 1 351.454 3.302 40 0 FGABMN Cc1ccc(CN2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)s1 ZINC000306126654 498737760 /nfs/dbraw/zinc/73/77/60/498737760.db2.gz FBEAJFWYGRXSFO-INIZCTEOSA-N 0 1 368.510 3.177 40 0 FGABMN c1cc(-c2cnc3n2C[C@]2(CCN(Cc4cccnc4)C2)OC3)cs1 ZINC000306132705 498738770 /nfs/dbraw/zinc/73/87/70/498738770.db2.gz LPQPYANUMWEXHS-LJQANCHMSA-N 0 1 352.463 3.182 40 0 FGABMN Cc1ccc(CN(CCCn2ccnc2)Cc2cnc(N(C)C)nc2)s1 ZINC000043277876 205102588 /nfs/dbraw/zinc/10/25/88/205102588.db2.gz XWSJKAQIPUBYQM-UHFFFAOYSA-N 0 1 370.526 3.202 40 0 FGABMN Fc1cccnc1OC[C@@]12CCCO[C@@H]1CCN(Cc1cccnc1)C2 ZINC000107712750 206022145 /nfs/dbraw/zinc/02/21/45/206022145.db2.gz GNMIMNDKCIYYLN-QUCCMNQESA-N 0 1 357.429 3.066 40 0 FGABMN CCc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(N[C@H](C)CC)n1 ZINC000328961064 132371771 /nfs/dbraw/zinc/37/17/71/132371771.db2.gz BAUXLWSQEAXHMF-CQSZACIVSA-N 0 1 370.497 3.251 40 0 FGABMN 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/nfs/dbraw/zinc/64/24/85/498642485.db2.gz MEGIXGATGAPICQ-YJBOKZPZSA-N 0 1 362.495 3.262 40 0 FGABMN COc1cccc2c1OC1(CCN(Cc3cnc[nH]3)CC1)[C@H]1CCCO[C@H]21 ZINC000257297501 533895406 /nfs/dbraw/zinc/89/54/06/533895406.db2.gz RHNCZIHKKONFLW-PKOBYXMFSA-N 0 1 369.465 3.313 40 0 FGABMN CCOc1cc(C=O)ccc1OCCN1CCN(Cc2ccccc2)CC1 ZINC000020131583 520691218 /nfs/dbraw/zinc/69/12/18/520691218.db2.gz HUNLHBUIZUUVQT-UHFFFAOYSA-N 0 1 368.477 3.094 40 0 FGABMN CCCN1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1cccs1 ZINC000514290361 560029723 /nfs/dbraw/zinc/02/97/23/560029723.db2.gz YPXLJHATGPYVPA-JENIJYKNSA-N 0 1 350.528 3.331 40 0 biogenic,in-vitro FGABMN Cc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccccn4)C2)OC3)c1 ZINC000306127641 210052117 /nfs/dbraw/zinc/05/21/17/210052117.db2.gz GDZATIKBOSSGIA-JOCHJYFZSA-N 0 1 360.461 3.428 40 0 FGABMN Cc1cccnc1Nc1cc([C@@H]2CCCN(C(=O)c3cnc[nH]3)C2)ccn1 ZINC000257300373 223056684 /nfs/dbraw/zinc/05/66/84/223056684.db2.gz RUAPURBRQGBEBW-MRXNPFEDSA-N 0 1 362.437 3.272 40 0 FGABMN 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CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1OC ZINC000033707639 494062431 /nfs/dbraw/zinc/06/24/31/494062431.db2.gz VNIWTYQFFXEHTA-MRVPVSSYSA-N 0 1 352.774 3.116 40 0 FGABMN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000008197722 494074971 /nfs/dbraw/zinc/07/49/71/494074971.db2.gz WWNSIURHKCEFDP-XDUBLRSXSA-N 0 1 368.389 3.119 40 0 FGABMN COCCOc1cccc(CN2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)c1 ZINC000072343297 494155202 /nfs/dbraw/zinc/15/52/02/494155202.db2.gz XATJFCRVNCOWKF-RTWAWAEBSA-N 0 1 366.461 3.255 40 0 FGABMN COc1ccc(OC)c(CN2CCC[C@H](n3c4ccccc4oc3=O)C2)c1 ZINC000012119155 494206263 /nfs/dbraw/zinc/20/62/63/494206263.db2.gz IGGYHQGDYBUALN-INIZCTEOSA-N 0 1 368.433 3.449 40 0 FGABMN COc1cc(CCC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)on1 ZINC000012144799 494208504 /nfs/dbraw/zinc/20/85/04/494208504.db2.gz YPRGWZHKFADLMN-INIZCTEOSA-N 0 1 354.410 3.164 40 0 FGABMN Cc1cnc(-c2nc(C3CCN(Cc4ccc(F)cc4)CC3)no2)cn1 ZINC000012337351 494225431 /nfs/dbraw/zinc/22/54/31/494225431.db2.gz 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3.279 40 0 biogenic,in-vitro FGABMN CS(=O)(=O)CC1(CN2CCC(c3c[nH]c4cc(F)ccc43)CC2)CC1 ZINC000678077035 571115581 /nfs/dbraw/zinc/11/55/81/571115581.db2.gz WJUYIIFYKVORRR-UHFFFAOYSA-N 0 1 364.486 3.311 40 0 FGABMN COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccoc4)C2)OC3)c1 ZINC000306143571 210057712 /nfs/dbraw/zinc/05/77/12/210057712.db2.gz YFQKQJJPSGRRIC-OAQYLSRUSA-N 0 1 365.433 3.327 40 0 FGABMN O=C1c2cccn2[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2N1Cc1ccccn1 ZINC000306138741 210055815 /nfs/dbraw/zinc/05/58/15/210055815.db2.gz SGFHTLQATKTBJO-RBUKOAKNSA-N 0 1 364.474 3.026 40 0 FGABMN O=C1c2cccn2[C@H]2CN(Cc3ccsc3)C[C@H]2N1Cc1ccccn1 ZINC000306138741 210055819 /nfs/dbraw/zinc/05/58/19/210055819.db2.gz SGFHTLQATKTBJO-RBUKOAKNSA-N 0 1 364.474 3.026 40 0 FGABMN O=C([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](Cc3cnccn3)C2)o1 ZINC000257221395 223026697 /nfs/dbraw/zinc/02/66/97/223026697.db2.gz DOWNWJRJXQTNSY-HNNXBMFYSA-N 0 1 363.417 3.499 40 0 FGABMN Cc1nn(C)c(C)c1CN1CCC[C@@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257243354 223034241 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Fc1ccc(CN2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1F ZINC000019292927 211214605 /nfs/dbraw/zinc/21/46/05/211214605.db2.gz ICNRSURGFCJITQ-CYBMUJFWSA-N 0 1 357.364 3.184 40 0 FGABMN COc1ccccc1C[N@@H+](CC(=O)[O-])C1CCN(c2ccccc2F)CC1 ZINC000257269845 132295985 /nfs/dbraw/zinc/29/59/85/132295985.db2.gz MRPXKGZDDJZEFW-UHFFFAOYSA-N 0 1 372.440 3.390 40 0 FGABMN Cc1nc(CN2CCC3(C[C@@H](OCCO)c4ccccc43)CC2)cs1 ZINC000096079246 222015757 /nfs/dbraw/zinc/01/57/57/222015757.db2.gz OOLULJHDJHWBKR-LJQANCHMSA-N 0 1 358.507 3.439 40 0 FGABMN Fc1cccnc1N1CC[C@]2(C1)CN(Cc1ccccn1)CCC2(F)F ZINC000096239640 222096013 /nfs/dbraw/zinc/09/60/13/222096013.db2.gz QVFVCMWUJIGJJJ-GOSISDBHSA-N 0 1 362.399 3.353 40 0 FGABMN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000032896404 494024729 /nfs/dbraw/zinc/02/47/29/494024729.db2.gz RDLXMARCGZZLMH-FQEVSTJZSA-N 0 1 353.466 3.235 40 0 FGABMN CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)o1 ZINC000033653481 494061949 /nfs/dbraw/zinc/06/19/49/494061949.db2.gz JOLMEWKHRULRCS-GXDHUFHOSA-N 0 1 357.366 3.221 40 0 FGABMN COc1ccc(CCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000009063477 494114140 /nfs/dbraw/zinc/11/41/40/494114140.db2.gz CYENUZHKVIACGF-UHFFFAOYSA-N 0 1 370.468 3.405 40 0 FGABMN CN1CCN(c2ccc([C@@H]3CCCCN3C(=O)OC(C)(C)C)cn2)CC1 ZINC000072216551 494145327 /nfs/dbraw/zinc/14/53/27/494145327.db2.gz OCWNKNIIIMCCRB-KRWDZBQOSA-N 0 1 360.502 3.296 40 0 FGABMN Cc1cc(C)n2nc(C3=CCN(C[C@H](O)c4ccccc4F)CC3)cc2n1 ZINC000072342775 494155003 /nfs/dbraw/zinc/15/50/03/494155003.db2.gz XZALQBPNWLOUOC-FQEVSTJZSA-N 0 1 366.440 3.308 40 0 FGABMN CCOc1ccc([C@@H](O)CN2CCC(O)(c3ccccc3F)CC2)cc1 ZINC000012292364 494219002 /nfs/dbraw/zinc/21/90/02/494219002.db2.gz PBGANQKPNJZOHW-FQEVSTJZSA-N 0 1 359.441 3.241 40 0 FGABMN CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)[n-]n2c1=O ZINC000012276388 494219183 /nfs/dbraw/zinc/21/91/83/494219183.db2.gz UIBKCHKBKJQITB-HNNXBMFYSA-N 0 1 354.429 3.434 40 0 FGABMN COc1ccc(OC)c(NS(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000055555943 494360185 /nfs/dbraw/zinc/36/01/85/494360185.db2.gz HZVVXZNAEFTXAU-UHFFFAOYSA-N 0 1 351.424 3.130 40 0 FGABMN CC[C@@H](OC[C@@H](O)CN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000024302536 494619835 /nfs/dbraw/zinc/61/98/35/494619835.db2.gz NMAYQELHCDLDNH-FCHUYYIVSA-N 0 1 354.494 3.337 40 0 FGABMN CC[C@H](OC[C@H](O)CN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000024302554 494619954 /nfs/dbraw/zinc/61/99/54/494619954.db2.gz NMAYQELHCDLDNH-YADHBBJMSA-N 0 1 354.494 3.337 40 0 FGABMN Clc1ccccc1CN1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 ZINC000108536071 494731450 /nfs/dbraw/zinc/73/14/50/494731450.db2.gz MQEODXMBSHOQMF-PMACEKPBSA-N 0 1 357.885 3.210 40 0 FGABMN CCOc1ccc(NC(=S)N2CCN(C3CCSCC3)CC2)cc1 ZINC000225217569 497058774 /nfs/dbraw/zinc/05/87/74/497058774.db2.gz VOTXQXAWXFWILJ-UHFFFAOYSA-N 0 1 365.568 3.295 40 0 FGABMN O=C(c1ccccc1)[C@@H]1CN(C[C@H]2CCCO2)CC[C@@]1(O)c1ccccc1 ZINC000245227492 497377796 /nfs/dbraw/zinc/37/77/96/497377796.db2.gz OXNBIVVBRPSTQX-FUPPJEDESA-N 0 1 365.473 3.258 40 0 FGABMN Cc1ccc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)o1 ZINC000332306888 498642666 /nfs/dbraw/zinc/64/26/66/498642666.db2.gz MEGIXGATGAPICQ-QAPCUYQASA-N 0 1 362.495 3.262 40 0 FGABMN O=C(C[C@@H]1Cn2cccc2CN(Cc2cccs2)C1)NCc1ccco1 ZINC000585099081 507565795 /nfs/dbraw/zinc/56/57/95/507565795.db2.gz JHKXHKLKFHREMT-INIZCTEOSA-N 0 1 369.490 3.481 40 0 FGABMN Cc1cccc(OC[C@]2(O)CCC[N@@H+](Cc3ccccc3C(=O)[O-])C2)c1 ZINC000585276436 507582084 /nfs/dbraw/zinc/58/20/84/507582084.db2.gz LMAFKGJHGHUBLZ-NRFANRHFSA-N 0 1 355.434 3.099 40 0 FGABMN Cc1cc(Nc2cnccn2)cc(C2CCN(C(=O)c3ccccn3)CC2)n1 ZINC000257288035 534005464 /nfs/dbraw/zinc/00/54/64/534005464.db2.gz PSNPGMGCNSBHIF-UHFFFAOYSA-N 0 1 374.448 3.338 40 0 FGABMN Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1cccc(CN(C)C)n1 ZINC000257229743 534337012 /nfs/dbraw/zinc/33/70/12/534337012.db2.gz FZHZSSJGVMONME-IBGZPJMESA-N 0 1 356.470 3.044 40 0 FGABMN Fc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4cccnc4)C2)OC3)cc1 ZINC000306137224 534453016 /nfs/dbraw/zinc/45/30/16/534453016.db2.gz QPRFBYLMJLAYBH-OAQYLSRUSA-N 0 1 364.424 3.259 40 0 FGABMN Cc1cnc([C@H]2CCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)s1 ZINC000257333494 534665968 /nfs/dbraw/zinc/66/59/68/534665968.db2.gz YBUNYFNLHGJMQH-AWEZNQCLSA-N 0 1 353.451 3.256 40 0 FGABMN CCNc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(C(C)C)n1 ZINC000328979193 535522860 /nfs/dbraw/zinc/52/28/60/535522860.db2.gz GEIBBKWCFNSNLR-UHFFFAOYSA-N 0 1 354.454 3.381 40 0 FGABMN CC(=O)c1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1)OCO2 ZINC000001351247 210179553 /nfs/dbraw/zinc/17/95/53/210179553.db2.gz CRMCDVXCZFLTMS-UHFFFAOYSA-N 0 1 353.783 3.072 40 0 FGABMN Cc1nc(CN2CCC[C@@]3(CN(Cc4cccnc4)CCO3)CC2)cs1 ZINC000306126307 210049124 /nfs/dbraw/zinc/04/91/24/210049124.db2.gz DSDBRIRTDUBMFI-FQEVSTJZSA-N 0 1 372.538 3.104 40 0 FGABMN Cc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccccn4)C2)OC3)cc1 ZINC000306126155 210048868 /nfs/dbraw/zinc/04/88/68/210048868.db2.gz DOMPJLXWTJWSNX-JOCHJYFZSA-N 0 1 360.461 3.428 40 0 FGABMN Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN3Cc3cnc[nH]3)n2)nc1 ZINC000257261415 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WPLVIUYTYVECTL-IBGZPJMESA-N 0 1 363.421 3.006 40 0 FGABMN O=C([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](Cc3ncccn3)C2)o1 ZINC000257336424 223070723 /nfs/dbraw/zinc/07/07/23/223070723.db2.gz YOIDFQXVBRHECR-HNNXBMFYSA-N 0 1 363.417 3.499 40 0 FGABMN CCOC(=O)C1=C(O)C[C@](O)(c2ccccc2)C[C@H]1C=C(Cl)Cl ZINC000012661248 220016660 /nfs/dbraw/zinc/01/66/60/220016660.db2.gz MLKPLBAELXSACH-JGFGOQIWSA-N 0 1 357.233 3.352 40 0 FGABMN CCOc1ccc(CN2CCC3(CC2)Nc2ccccc2C(=O)N3)cc1 ZINC000019533215 220268446 /nfs/dbraw/zinc/26/84/46/220268446.db2.gz PWMQIMCZUIMPHS-UHFFFAOYSA-N 0 1 351.450 3.233 40 0 FGABMN COc1ccc([C@H](C)NCC(=O)NC[C@@H](C)c2ccccc2)cc1OC ZINC000041105114 220929039 /nfs/dbraw/zinc/92/90/39/220929039.db2.gz MBZMUGXRTFJWEK-CVEARBPZSA-N 0 1 356.466 3.274 40 0 FGABMN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)cc1 ZINC000049590614 221026180 /nfs/dbraw/zinc/02/61/80/221026180.db2.gz LJDVPQJNLBAKGB-INIZCTEOSA-N 0 1 368.368 3.306 40 0 biogenic,in-vitro FGABMN 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CN(C)C(=O)CN1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359615 494157302 /nfs/dbraw/zinc/15/73/02/494157302.db2.gz YPCHDXVIGXZTLV-OAHLLOKOSA-N 0 1 358.873 3.065 40 0 FGABMN COc1cccc(C[N@@H+]2CCC[C@H]2c2cncc([N-]c3nncs3)n2)c1 ZINC000072376262 494159706 /nfs/dbraw/zinc/15/97/06/494159706.db2.gz LAFUTPRVYUHJHG-INIZCTEOSA-N 0 1 368.466 3.417 40 0 FGABMN COc1cccc(C[N@H+]2CCC[C@H]2c2cncc([N-]c3nncs3)n2)c1 ZINC000072376262 494159709 /nfs/dbraw/zinc/15/97/09/494159709.db2.gz LAFUTPRVYUHJHG-INIZCTEOSA-N 0 1 368.466 3.417 40 0 FGABMN O=c1[nH]c2cc3c(cc2cc1CNCc1ccc(Cl)cc1)OCCO3 ZINC000013999195 494299485 /nfs/dbraw/zinc/29/94/85/494299485.db2.gz OCKRSSKPGMELHU-UHFFFAOYSA-N 0 1 356.809 3.243 40 0 FGABMN CCCC(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019501738 494446532 /nfs/dbraw/zinc/44/65/32/494446532.db2.gz MYCLPBHTNPOPOY-UHFFFAOYSA-N 0 1 358.461 3.107 40 0 FGABMN CCN1CCN([C@@H](c2nnnn2C2CCCCC2)c2ccc(C)cc2)CC1 ZINC000019527989 494447309 /nfs/dbraw/zinc/44/73/09/494447309.db2.gz KTMXUTNBVQXFDH-HXUWFJFHSA-N 0 1 368.529 3.214 40 0 FGABMN COc1ccccc1CN1CCC[C@@H](c2cc(C(=O)N3CCCC3)on2)C1 ZINC000019570285 494450527 /nfs/dbraw/zinc/45/05/27/494450527.db2.gz WOIBNPSQNIWXAH-MRXNPFEDSA-N 0 1 369.465 3.299 40 0 FGABMN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cn4cncn4)c3)[nH]n2)cc1 ZINC000019718242 494457491 /nfs/dbraw/zinc/45/74/91/494457491.db2.gz OXNIKNYHMNJAPO-UHFFFAOYSA-N 0 1 358.405 3.277 40 0 FGABMN Cc1nc([C@@H]2CCCN2C(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019754136 494460274 /nfs/dbraw/zinc/46/02/74/494460274.db2.gz WOGZJRPGPVDBHD-SFHVURJKSA-N 0 1 356.445 3.399 40 0 FGABMN Cc1ccccc1N1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000025227107 494710198 /nfs/dbraw/zinc/71/01/98/494710198.db2.gz DWCYMFYXKFCWTH-SFHVURJKSA-N 0 1 360.885 3.210 40 0 FGABMN CSc1nnc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)s1 ZINC000223211425 497033551 /nfs/dbraw/zinc/03/35/51/497033551.db2.gz HTOQQBUSLVKCGL-UHFFFAOYSA-N 0 1 366.487 3.250 40 0 FGABMN Cc1cccc(C)c1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000223324411 497035845 /nfs/dbraw/zinc/03/58/45/497035845.db2.gz DDDDNDBHBJYCKC-UHFFFAOYSA-N 0 1 352.799 3.192 40 0 FGABMN Cc1c[nH]c(-c2cncc([C@H]3CCC[N@@H+](Cc4scnc4C)C3)n2)n1 ZINC000257221215 497392536 /nfs/dbraw/zinc/39/25/36/497392536.db2.gz DOAAOOCXFQYQSA-AWEZNQCLSA-N 0 1 354.483 3.320 40 0 FGABMN Cn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257260173 497396848 /nfs/dbraw/zinc/39/68/48/497396848.db2.gz LBQHRFGQPRTWDZ-AWEZNQCLSA-N 0 1 366.421 3.153 40 0 FGABMN COc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccoc4)C2)OC3)cc1 ZINC000306136008 498740707 /nfs/dbraw/zinc/74/07/07/498740707.db2.gz PGJSAWQUEOMXBW-NRFANRHFSA-N 0 1 365.433 3.327 40 0 FGABMN Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C(F)(F)F)c1 ZINC000408719216 499594224 /nfs/dbraw/zinc/59/42/24/499594224.db2.gz APFSLVMFARXFKM-HNNXBMFYSA-N 0 1 350.340 3.223 40 0 FGABMN COc1cc([C@H]2C=C(c3ccc(Cl)cc3)N=C3N=CNN32)ccc1O ZINC000408917701 499595272 /nfs/dbraw/zinc/59/52/72/499595272.db2.gz AEQSTQOUEJHTFC-OAHLLOKOSA-N 0 1 354.797 3.355 40 0 FGABMN O=C1NC(=O)/C(=C\c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000408917518 499595308 /nfs/dbraw/zinc/59/53/08/499595308.db2.gz WCBRYISWTWDAGG-NTEUORMPSA-N 0 1 373.206 3.208 40 0 FGABMN Cc1nc(CN2CCC3(C2)CCN(C(=O)c2ccnc(F)c2)CC3)cs1 ZINC000585099789 507565698 /nfs/dbraw/zinc/56/56/98/507565698.db2.gz ZJURLKFAZVYYFU-UHFFFAOYSA-N 0 1 374.485 3.114 40 0 FGABMN Cc1cnc(Nc2nccnc2[C@H]2CCCN(Cc3c[nH]nc3C)C2)s1 ZINC000257279767 526097780 /nfs/dbraw/zinc/09/77/80/526097780.db2.gz OICHWMRUVAULAI-AWEZNQCLSA-N 0 1 369.498 3.396 40 0 FGABMN COc1ccc2[nH]c(C[C@H]3C[N@H+](C4CCC4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289048 560033636 /nfs/dbraw/zinc/03/36/36/560033636.db2.gz MVHSHNQLKITKPX-KBPBESRZSA-N 0 1 357.454 3.079 40 0 biogenic,in-vitro FGABMN COc1ccc2nc(C[C@H]3C[N@@H+](C4CCC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289048 560033637 /nfs/dbraw/zinc/03/36/37/560033637.db2.gz MVHSHNQLKITKPX-KBPBESRZSA-N 0 1 357.454 3.079 40 0 biogenic,in-vitro FGABMN COc1ccc2nc(C[C@H]3C[N@H+](C4CCC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289048 560033639 /nfs/dbraw/zinc/03/36/39/560033639.db2.gz MVHSHNQLKITKPX-KBPBESRZSA-N 0 1 357.454 3.079 40 0 biogenic,in-vitro FGABMN Cc1cc(C)c(OCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(C)c1 ZINC000179342920 571147867 /nfs/dbraw/zinc/14/78/67/571147867.db2.gz JICSJEPITVBLCA-KRWDZBQOSA-N 0 1 368.481 3.392 40 0 FGABMN Cc1cccnc1Nc1nccnc1[C@@H]1CCCN(Cc2ccnn2C)C1 ZINC000257341132 210004272 /nfs/dbraw/zinc/00/42/72/210004272.db2.gz ZIXUGAKETOWPPA-MRXNPFEDSA-N 0 1 363.469 3.037 40 0 FGABMN Cc1cccnc1Nc1nccnc1[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000257296437 223055686 /nfs/dbraw/zinc/05/56/86/223055686.db2.gz RCVVZNIEJCKYCE-KRWDZBQOSA-N 0 1 363.469 3.037 40 0 FGABMN Cc1noc(C)c1CN1CC[C@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096065076 209107213 /nfs/dbraw/zinc/10/72/13/209107213.db2.gz UYFFQAXTGXRTJR-WOJBJXKFSA-N 0 1 357.454 3.137 40 0 FGABMN CC(C)C(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000012089231 207337553 /nfs/dbraw/zinc/33/75/53/207337553.db2.gz KWTNRZXSRYNGQH-IAGOWNOFSA-N 0 1 358.511 3.264 40 0 FGABMN CC(=O)N1Cc2ccccc2O[C@@H]([C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000012135396 207340536 /nfs/dbraw/zinc/34/05/36/207340536.db2.gz KOQHNMOEEYUCJR-SIKLNZKXSA-N 0 1 365.477 3.103 40 0 FGABMN CCCc1ncc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cn1 ZINC000012242177 207352154 /nfs/dbraw/zinc/35/21/54/207352154.db2.gz BEEDBMFQOISGFX-QIDMFYOTSA-N 0 1 367.493 3.452 40 0 FGABMN COc1ccc(CN2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC000096058098 209105394 /nfs/dbraw/zinc/10/53/94/209105394.db2.gz JLYZIMSNZJAOAF-HBMCJLEFSA-N 0 1 354.450 3.039 40 0 FGABMN COc1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000096051172 209102930 /nfs/dbraw/zinc/10/29/30/209102930.db2.gz HCXVSBUZVLIRMK-IBGZPJMESA-N 0 1 374.435 3.223 40 0 FGABMN COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)c3ccn[nH]3)n2)c1 ZINC000072358065 208837867 /nfs/dbraw/zinc/83/78/67/208837867.db2.gz PYRUCQNAZZLNJU-HXUWFJFHSA-N 0 1 362.433 3.381 40 0 FGABMN Fc1cccnc1OC[C@]12CCCO[C@@H]1CCN(Cc1ccncc1)C2 ZINC000096040475 209097827 /nfs/dbraw/zinc/09/78/27/209097827.db2.gz ZBWJZMOHNWESKS-UYAOXDASSA-N 0 1 357.429 3.066 40 0 FGABMN CC(C)(C)OC(=O)N1CCC[N@H+]([C@@H](C(=O)[O-])c2cc3ccccc3[nH]2)CC1 ZINC000002527345 493810961 /nfs/dbraw/zinc/81/09/61/493810961.db2.gz CSTJAORIIIMUKU-QGZVFWFLSA-N 0 1 373.453 3.236 40 0 FGABMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000005744313 493941191 /nfs/dbraw/zinc/94/11/91/493941191.db2.gz QJUZKYAQZYFHMY-JLHYYAGUSA-N 0 1 372.833 3.180 40 0 FGABMN CCCCCCOc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O ZINC000006050894 493949392 /nfs/dbraw/zinc/94/93/92/493949392.db2.gz NVNXFOUVXJEBMV-UHFFFAOYSA-N 0 1 350.802 3.049 40 0 FGABMN COc1ccc(-c2c(C)nn3c2nc(C)c(C)c3N2CCN(C)CC2)cc1 ZINC000012113352 494203499 /nfs/dbraw/zinc/20/34/99/494203499.db2.gz ZOVISLCZGNWGGT-UHFFFAOYSA-N 0 1 365.481 3.082 40 0 FGABMN CC(=O)N1Cc2ccccc2O[C@@H]([C@@H]2CCCN(Cc3ccccn3)C2)C1 ZINC000019019666 494434584 /nfs/dbraw/zinc/43/45/84/494434584.db2.gz DAYGVGPYVOLATK-XMSQKQJNSA-N 0 1 365.477 3.103 40 0 FGABMN CN(C)Cc1cc(-c2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2)nn1C ZINC000019288867 494439103 /nfs/dbraw/zinc/43/91/03/494439103.db2.gz NCABWSYDQCNTMH-GOSISDBHSA-N 0 1 352.482 3.121 40 0 FGABMN CCCC(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000019501737 494445772 /nfs/dbraw/zinc/44/57/72/494445772.db2.gz BVZCOGPGAXPJQW-UHFFFAOYSA-N 0 1 358.461 3.107 40 0 FGABMN Cc1cc(C)n(C[C@H](C)NC(=O)c2[nH]nc3c2C[C@@H](C(C)(C)C)CC3)n1 ZINC000019573714 494449951 /nfs/dbraw/zinc/44/99/51/494449951.db2.gz BMVPRFJFRKFILZ-ZFWWWQNUSA-N 0 1 357.502 3.193 40 0 FGABMN C[C@H]1C[C@H](OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC000022588949 494528366 /nfs/dbraw/zinc/52/83/66/494528366.db2.gz SFIMEMADLNGLGG-NNWRFLSQSA-N 0 1 374.569 3.397 40 0 FGABMN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C[C@H]3CCOC3)cc2n1 ZINC000247813515 496917303 /nfs/dbraw/zinc/91/73/03/496917303.db2.gz BAZADTNOPZEOSW-OCCSQVGLSA-N 0 1 354.376 3.230 40 0 FGABMN CCn1c2cc(Cl)c(S(=O)(=O)Nc3ccccc3)cc2oc1=O ZINC000203260668 496973277 /nfs/dbraw/zinc/97/32/77/496973277.db2.gz WTKIQFLMSLHLQD-UHFFFAOYSA-N 0 1 352.799 3.069 40 0 FGABMN Cc1noc(C)c1CN1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC000252013877 497294894 /nfs/dbraw/zinc/29/48/94/497294894.db2.gz UOUGWAPGLGPUMC-QUCCMNQESA-N 0 1 357.454 3.137 40 0 FGABMN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@@H]2N)cc1 ZINC000252516803 497309518 /nfs/dbraw/zinc/30/95/18/497309518.db2.gz WZSVTYVQNACFCI-PMPSAXMXSA-N 0 1 366.280 3.025 40 0 FGABMN O=C(CN1CCCC1)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257206260 497390834 /nfs/dbraw/zinc/39/08/34/497390834.db2.gz BCQABUSAPLLSSI-GOSISDBHSA-N 0 1 357.429 3.164 40 0 FGABMN Cc1noc(C)c1-c1cc(C2CCN(Cc3cnccn3)CC2)nc(C)n1 ZINC000257249596 497394891 /nfs/dbraw/zinc/39/48/91/497394891.db2.gz JJAFVYCVINTQSQ-UHFFFAOYSA-N 0 1 364.453 3.226 40 0 FGABMN Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000257280301 497397550 /nfs/dbraw/zinc/39/75/50/497397550.db2.gz OKIORLFZKPSHOI-QGZVFWFLSA-N 0 1 363.469 3.037 40 0 FGABMN C[C@]1(COc2cccnc2)C[C@@H]2CN(Cc3ncccc3F)CC[C@@H]2O1 ZINC000257286460 497399790 /nfs/dbraw/zinc/39/97/90/497399790.db2.gz PLQUTYOCPRIMCX-UIAACRFSSA-N 0 1 357.429 3.064 40 0 FGABMN c1cnc2c(c1)N(Cc1cccnc1)C[C@@]21CC[N@@H+](Cc2cccnc2)C1 ZINC000306124555 498736257 /nfs/dbraw/zinc/73/62/57/498736257.db2.gz BTNGITUORWVNJP-QFIPXVFZSA-N 0 1 357.461 3.036 40 0 FGABMN c1ccc(CN2C[C@@]3(CCN(Cc4cccnc4)C3)c3ncccc32)nc1 ZINC000306136641 498740147 /nfs/dbraw/zinc/74/01/47/498740147.db2.gz PYYVSYXWVQWVJM-QFIPXVFZSA-N 0 1 357.461 3.036 40 0 FGABMN CCNc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(C2CC2)n1 ZINC000329063457 535522795 /nfs/dbraw/zinc/52/27/95/535522795.db2.gz XERFUHCHTZSXCW-UHFFFAOYSA-N 0 1 352.438 3.135 40 0 FGABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1Cc1nc2ccccc2[nH]1 ZINC000514288843 560033740 /nfs/dbraw/zinc/03/37/40/560033740.db2.gz FYKJWENMPFGQBU-HOTGVXAUSA-N 0 1 364.449 3.113 40 0 biogenic,in-vitro FGABMN Cc1cccc(-n2[nH]c(CSc3nnnn3-c3ccccc3)cc2=O)c1 ZINC000010157371 207296676 /nfs/dbraw/zinc/29/66/76/207296676.db2.gz XLKSKMHYCWZOPP-UHFFFAOYSA-N 0 1 364.434 3.154 40 0 FGABMN CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCCN(Cc3ccncc3)C2)C1 ZINC000012135399 207341496 /nfs/dbraw/zinc/34/14/96/207341496.db2.gz XITMNRCWFXXLED-KNQAVFIVSA-N 0 1 365.477 3.103 40 0 FGABMN COc1ccccc1C1(O)CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000012330713 207363254 /nfs/dbraw/zinc/36/32/54/207363254.db2.gz WVJPKMGFTZQULN-UHFFFAOYSA-N 0 1 363.461 3.365 40 0 FGABMN Cc1cc(C(=O)N2CCC(CCN3CCOCC3)CC2)nc2ccccc12 ZINC000019656470 207693505 /nfs/dbraw/zinc/69/35/05/207693505.db2.gz QTQQKPMRGWIOAW-UHFFFAOYSA-N 0 1 367.493 3.118 40 0 FGABMN Cc1ccc(N2CCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000031666898 208015441 /nfs/dbraw/zinc/01/54/41/208015441.db2.gz YYEGWUYPTYSALH-LJQANCHMSA-N 0 1 360.885 3.210 40 0 FGABMN COc1ccccc1NC(=S)NC1CCN(Cc2ccccn2)CC1 ZINC000044222034 208313386 /nfs/dbraw/zinc/31/33/86/208313386.db2.gz YGMXIZTYEUNYKJ-UHFFFAOYSA-N 0 1 356.495 3.041 40 0 FGABMN COc1cccc(-c2cnc3c(N4CCN(C5CCC5)CC4)nccn23)c1 ZINC000306129676 132301578 /nfs/dbraw/zinc/30/15/78/132301578.db2.gz IJGGTUAAXOPOOD-UHFFFAOYSA-N 0 1 363.465 3.079 40 0 FGABMN Cc1cccc(N2CCN(C[C@H](O)COc3ccccc3Cl)CC2)c1 ZINC000029589818 493845407 /nfs/dbraw/zinc/84/54/07/493845407.db2.gz BZTWUIFSUMJSOF-SFHVURJKSA-N 0 1 360.885 3.210 40 0 FGABMN O=C(CCCCCN1CCOCC1)Nc1ccc(Br)cc1 ZINC000071256252 494090141 /nfs/dbraw/zinc/09/01/41/494090141.db2.gz CHBHOOMBTKCXHO-UHFFFAOYSA-N 0 1 355.276 3.280 40 0 FGABMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 ZINC000008477366 494092303 /nfs/dbraw/zinc/09/23/03/494092303.db2.gz VPTKTUQHYDJVIC-LVLBFHFTSA-N 0 1 356.422 3.268 40 0 FGABMN Cc1cc(C)n2nc(C3=CCN(C[C@@H](O)c4ccc(F)cc4)CC3)cc2n1 ZINC000072342774 494155184 /nfs/dbraw/zinc/15/51/84/494155184.db2.gz SOKUSVMZRBZFFL-HXUWFJFHSA-N 0 1 366.440 3.308 40 0 FGABMN Cc1ccccc1Cc1cccc(C2CCN(CC(=O)N(C)C)CC2)n1 ZINC000072349518 494155888 /nfs/dbraw/zinc/15/58/88/494155888.db2.gz PVRFMFMVPQBMKA-UHFFFAOYSA-N 0 1 351.494 3.248 40 0 FGABMN CC(=O)N1CCCc2cc([C@@H](O)CN3CCC(C(F)(F)F)CC3)ccc21 ZINC000012291269 494219011 /nfs/dbraw/zinc/21/90/11/494219011.db2.gz WYRAZYJXYVWJNU-SFHVURJKSA-N 0 1 370.415 3.293 40 0 FGABMN O=c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)nc(-c2cccs2)[n-]1 ZINC000019344640 494441887 /nfs/dbraw/zinc/44/18/87/494441887.db2.gz CFQORKXCLMEGQU-OAHLLOKOSA-N 0 1 352.463 3.273 40 0 FGABMN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(-c2cccs2)[n-]1 ZINC000019344640 494441893 /nfs/dbraw/zinc/44/18/93/494441893.db2.gz CFQORKXCLMEGQU-OAHLLOKOSA-N 0 1 352.463 3.273 40 0 FGABMN CCN1CCN([C@@H](c2nnnn2C2CCCCC2)c2ccc(F)cc2)CC1 ZINC000019528005 494447628 /nfs/dbraw/zinc/44/76/28/494447628.db2.gz YZEVFYRIRKYRDZ-LJQANCHMSA-N 0 1 372.492 3.044 40 0 FGABMN O=C(CN1CCC(c2ccccc2)CC1)Nc1cccc(-c2nc[nH]n2)c1 ZINC000019661258 494453964 /nfs/dbraw/zinc/45/39/64/494453964.db2.gz QTDNLIUFQGNCAG-UHFFFAOYSA-N 0 1 361.449 3.290 40 0 FGABMN Cn1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000019656989 494454286 /nfs/dbraw/zinc/45/42/86/494454286.db2.gz NFUOJOOYMLVJGR-QGZVFWFLSA-N 0 1 354.498 3.188 40 0 FGABMN Cn1cnc2ccc(NC(=O)CC3CCN(Cc4ccccn4)CC3)cc21 ZINC000019748338 494458260 /nfs/dbraw/zinc/45/82/60/494458260.db2.gz VAXKRACEOOPNFH-UHFFFAOYSA-N 0 1 363.465 3.209 40 0 FGABMN COc1cccc(CN2CC[C@H]3COC(=O)N3c3ccc(OC)cc3C2)c1 ZINC000225492105 497065128 /nfs/dbraw/zinc/06/51/28/497065128.db2.gz FPDOMCKSXVTCSH-KRWDZBQOSA-N 0 1 368.433 3.435 40 0 biogenic,in-vitro FGABMN c1cc2n(c1)[C@H](CCOCC1CCOCC1)CN(CC1CCOCC1)C2 ZINC000253478512 497335015 /nfs/dbraw/zinc/33/50/15/497335015.db2.gz LLVPDFPJBNFVCC-OAQYLSRUSA-N 0 1 362.514 3.105 40 0 FGABMN CN(CCOC(=O)NC1CCCCC1)CCOC(=O)NC1CCCCC1 ZINC000255188967 497360948 /nfs/dbraw/zinc/36/09/48/497360948.db2.gz MWCRWBCULZUOCH-UHFFFAOYSA-N 0 1 369.506 3.036 40 0 FGABMN Cc1nc(Nc2nccnc2[C@@H]2CCCN(Cc3cnc[nH]3)C2)sc1C ZINC000257202912 497389985 /nfs/dbraw/zinc/38/99/85/497389985.db2.gz ANWRFSBGIPSYFO-CQSZACIVSA-N 0 1 369.498 3.396 40 0 FGABMN 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[NH3+][C@@H](Cc1ccccc1)c1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000095534882 494989047 /nfs/dbraw/zinc/98/90/47/494989047.db2.gz UDSPKQKIKALGMR-ZDUSSCGKSA-N 0 1 359.227 3.182 40 0 FGABMN CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC000096048025 494998400 /nfs/dbraw/zinc/99/84/00/494998400.db2.gz QRBZBOFBXXIJTA-INIZCTEOSA-N 0 1 360.479 3.237 40 0 FGABMN O=C(NCCSc1nc(-c2ccccc2)n[nH]1)c1ccc(F)cc1F ZINC000222965540 497029783 /nfs/dbraw/zinc/02/97/83/497029783.db2.gz MKKLVEFZHACJMZ-UHFFFAOYSA-N 0 1 360.389 3.272 40 0 FGABMN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC)ccc1C ZINC000223798081 497043176 /nfs/dbraw/zinc/04/31/76/497043176.db2.gz RQWGNKGBOFSQNZ-UHFFFAOYSA-N 0 1 369.826 3.244 40 0 FGABMN COc1ccc(Oc2nccnc2C2CCN(Cc3cnc[nH]3)CC2)cc1 ZINC000257241039 497394434 /nfs/dbraw/zinc/39/44/34/497394434.db2.gz HWJIWVQLWRVFGZ-UHFFFAOYSA-N 0 1 365.437 3.380 40 0 FGABMN O=C(C[C@@H]1Cn2cccc2CN(Cc2ccsc2)C1)NCc1ccco1 ZINC000585099115 507566779 /nfs/dbraw/zinc/56/67/79/507566779.db2.gz 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494138549 /nfs/dbraw/zinc/13/85/49/494138549.db2.gz DKIZHPDVLIXCHI-UHFFFAOYSA-N 0 1 358.373 3.249 40 0 FGABMN COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccncc3[nH]2)C[C@H]1C(C)C ZINC000072320825 494151844 /nfs/dbraw/zinc/15/18/44/494151844.db2.gz DQXCKYJJWSDQHX-ULQDDVLXSA-N 0 1 370.497 3.118 40 0 biogenic,in-vitro FGABMN COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3cnccc3[nH]2)C[C@H]1C(C)C ZINC000072320825 494151846 /nfs/dbraw/zinc/15/18/46/494151846.db2.gz DQXCKYJJWSDQHX-ULQDDVLXSA-N 0 1 370.497 3.118 40 0 biogenic,in-vitro FGABMN Cc1ccccc1-c1cncc(C2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000072359387 494157479 /nfs/dbraw/zinc/15/74/79/494157479.db2.gz YHDVJKKEVRBWAU-UHFFFAOYSA-N 0 1 364.493 3.254 40 0 FGABMN Cc1csc(Nc2cc([C@@H]3CCCC[N@H+]3CCC(=O)[O-])nc(C)n2)n1 ZINC000072384699 494162552 /nfs/dbraw/zinc/16/25/52/494162552.db2.gz PTJUZPZBNYTURY-AWEZNQCLSA-N 0 1 361.471 3.295 40 0 FGABMN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc(-c2ccccn2)[n-]1 ZINC000072393195 494163432 /nfs/dbraw/zinc/16/34/32/494163432.db2.gz 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ZINC000329003927 499012356 /nfs/dbraw/zinc/01/23/56/499012356.db2.gz KPJLVNKCQYDHQI-HNNXBMFYSA-N 0 1 370.497 3.010 40 0 FGABMN CCOc1ccccc1-c1n[nH]c(SCC(=O)NCc2ccccc2)n1 ZINC000408547475 499591922 /nfs/dbraw/zinc/59/19/22/499591922.db2.gz XILFOCRFKFYMOK-UHFFFAOYSA-N 0 1 368.462 3.279 40 0 FGABMN c1ncc(CN2CCC(c3ccnc(Nc4cnccn4)c3)CC2)s1 ZINC000257273739 534541327 /nfs/dbraw/zinc/54/13/27/534541327.db2.gz NIACICJUNXPPOM-UHFFFAOYSA-N 0 1 352.467 3.451 40 0 FGABMN CC(C)[C@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(C2CC2)n1 ZINC000329005187 529025416 /nfs/dbraw/zinc/02/54/16/529025416.db2.gz KWQVRSULUWCUDD-KRWDZBQOSA-N 0 1 360.889 3.470 40 0 FGABMN CNC(=O)c1sc2ncccc2c1C1CCN(Cc2cncs2)CC1 ZINC000257220948 529954822 /nfs/dbraw/zinc/95/48/22/529954822.db2.gz DMXNHLIEDYPSRT-UHFFFAOYSA-N 0 1 372.519 3.492 40 0 FGABMN O=C([O-])c1ccccc1-n1cc(C[N@H+]2CC[C@@H](Cc3cccnc3)C2)cn1 ZINC000257238322 223031500 /nfs/dbraw/zinc/03/15/00/223031500.db2.gz HKLGUPHFXQYAMG-KRWDZBQOSA-N 0 1 362.433 3.030 40 0 FGABMN Cc1cccnc1Nc1nccnc1[C@@H]1CCCN(Cc2cncn2C)C1 ZINC000257257743 223040004 /nfs/dbraw/zinc/04/00/04/223040004.db2.gz KQWYNXRWAMYJPF-MRXNPFEDSA-N 0 1 363.469 3.037 40 0 FGABMN CN(C)Cc1cccc([C@H]2CCCN2C(=O)COc2cccc(F)c2)n1 ZINC000257276971 223046814 /nfs/dbraw/zinc/04/68/14/223046814.db2.gz NVXLZCTZRLZGMY-LJQANCHMSA-N 0 1 357.429 3.025 40 0 FGABMN Cc1nn(C)c(C)c1CN1CCC[C@H]1c1ccnc(Nc2cnccn2)c1 ZINC000257281613 223049640 /nfs/dbraw/zinc/04/96/40/223049640.db2.gz OQCWFBZADQRZEE-SFHVURJKSA-N 0 1 363.469 3.303 40 0 FGABMN Cc1csc(Nc2nccnc2[C@@H]2CCCN(Cc3c[nH]nc3C)C2)n1 ZINC000257340710 223071651 /nfs/dbraw/zinc/07/16/51/223071651.db2.gz ZHGLMQUCZYKOBS-CQSZACIVSA-N 0 1 369.498 3.396 40 0 FGABMN c1ccc(CN2C[C@]3(CC[N@@H+](Cc4cccnc4)C3)c3ncccc32)nc1 ZINC000306136640 223111961 /nfs/dbraw/zinc/11/19/61/223111961.db2.gz PYYVSYXWVQWVJM-JOCHJYFZSA-N 0 1 357.461 3.036 40 0 FGABMN c1ccc(CN2C[C@]3(CCN(Cc4cccnc4)C3)c3ncccc32)nc1 ZINC000306136640 223111966 /nfs/dbraw/zinc/11/19/66/223111966.db2.gz PYYVSYXWVQWVJM-JOCHJYFZSA-N 0 1 357.461 3.036 40 0 FGABMN CC(=O)N1Cc2ccccc2O[C@@H]([C@H]2CCCN(Cc3ccccn3)C2)C1 ZINC000019019671 220233938 /nfs/dbraw/zinc/23/39/38/220233938.db2.gz DAYGVGPYVOLATK-PGRDOPGGSA-N 0 1 365.477 3.103 40 0 FGABMN CC1CCN(C(=O)c2cc([C@@H]3CCCN(Cc4ccncc4)C3)no2)CC1 ZINC000019496768 220262089 /nfs/dbraw/zinc/26/20/89/220262089.db2.gz RTFXRUONLCABEP-GOSISDBHSA-N 0 1 368.481 3.321 40 0 FGABMN CN(C(=O)c1cn[nH]c1-c1ccc(CNC(=O)C2CC2)cc1)c1ccccc1 ZINC000019586770 220278152 /nfs/dbraw/zinc/27/81/52/220278152.db2.gz FBTHECGHJNLBTB-UHFFFAOYSA-N 0 1 374.444 3.380 40 0 FGABMN COc1ccc(-c2cccc([C@H]3CCCN(C(=O)CN(C)C)C3)n2)cc1 ZINC000072350112 221476984 /nfs/dbraw/zinc/47/69/84/221476984.db2.gz ZKTNISOICHDEGM-KRWDZBQOSA-N 0 1 353.466 3.025 40 0 FGABMN COc1ccc(C(=O)N2CCC[C@H]2c2ccc(CN(C)C)cn2)cc1F ZINC000257226909 533301711 /nfs/dbraw/zinc/30/17/11/533301711.db2.gz FMRYZVSENJEMNS-SFHVURJKSA-N 0 1 357.429 3.268 40 0 FGABMN CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(N[C@@H](C)CO)n1 ZINC000329064505 132373140 /nfs/dbraw/zinc/37/31/40/132373140.db2.gz XKLGPIIFHBQZFA-ZDUSSCGKSA-N 0 1 360.889 3.031 40 0 FGABMN COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(C(=O)[O-])cc4)C3)nc2c1 ZINC000035446736 494077494 /nfs/dbraw/zinc/07/74/94/494077494.db2.gz QRVUHIBQGHULHK-HNNXBMFYSA-N 0 1 351.406 3.259 40 0 biogenic,in-vitro FGABMN COc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(C(=O)[O-])cc4)C3)[nH]c2c1 ZINC000035446736 494077496 /nfs/dbraw/zinc/07/74/96/494077496.db2.gz QRVUHIBQGHULHK-HNNXBMFYSA-N 0 1 351.406 3.259 40 0 biogenic,in-vitro FGABMN COc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc(C(=O)[O-])cc4)C3)[nH]c2c1 ZINC000035446736 494077499 /nfs/dbraw/zinc/07/74/99/494077499.db2.gz QRVUHIBQGHULHK-HNNXBMFYSA-N 0 1 351.406 3.259 40 0 biogenic,in-vitro FGABMN Cc1[nH]nc2c1[C@H](c1ccccn1)N(CCc1c[nH]c3ccccc13)C2=O ZINC000009421755 494123822 /nfs/dbraw/zinc/12/38/22/494123822.db2.gz KKSXJLOXXMEYSD-FQEVSTJZSA-N 0 1 357.417 3.382 40 0 FGABMN COCCOc1ccc(CN2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc1 ZINC000072343281 494154573 /nfs/dbraw/zinc/15/45/73/494154573.db2.gz HFJSOHIMRVEYOZ-RTWAWAEBSA-N 0 1 366.461 3.255 40 0 FGABMN COc1cc2c(cc1OC)[C@@H](C)N([C@@H]1CCCN(C(=O)C(C)C)C1)CC2 ZINC000072342511 494154588 /nfs/dbraw/zinc/15/45/88/494154588.db2.gz BBANAOAFNNVANU-NVXWUHKLSA-N 0 1 360.498 3.270 40 0 FGABMN COc1cccc(-c2cccc([C@H]3CCCN(C(=O)CN(C)C)C3)n2)c1 ZINC000072350110 494156221 /nfs/dbraw/zinc/15/62/21/494156221.db2.gz LBKRIKVAGWFITJ-KRWDZBQOSA-N 0 1 353.466 3.025 40 0 FGABMN CC(=O)N1CCN(Cc2ccc(Cl)cc2)C[C@H](Cc2ccccn2)C1 ZINC000072355077 494157392 /nfs/dbraw/zinc/15/73/92/494157392.db2.gz CAWJNYJIIGRYBG-SFHVURJKSA-N 0 1 357.885 3.258 40 0 FGABMN CC(=O)NCc1cnc([C@@H]2CCCN2C2CCOCC2)cc1C(F)(F)F ZINC000072356201 494157617 /nfs/dbraw/zinc/15/76/17/494157617.db2.gz INMCJLFTVDXKFY-KRWDZBQOSA-N 0 1 371.403 3.052 40 0 FGABMN CCCc1ncc(CN2CCCC[C@H]3CN(C(=O)C4CCCC4)C[C@H]32)cn1 ZINC000072399156 494163809 /nfs/dbraw/zinc/16/38/09/494163809.db2.gz UIKSRZTVTDJOAX-VQTJNVASSA-N 0 1 370.541 3.432 40 0 FGABMN O=C(Nc1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccncc3)n[nH]2)C1 ZINC000012115748 494204616 /nfs/dbraw/zinc/20/46/16/494204616.db2.gz UOPWGFQXODVPTP-AWEZNQCLSA-N 0 1 366.400 3.417 40 0 FGABMN COc1ccc(-c2ocnc2C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000012115168 494205226 /nfs/dbraw/zinc/20/52/26/494205226.db2.gz JAEYVLJZZZSCCD-UHFFFAOYSA-N 0 1 369.465 3.441 40 0 FGABMN CCc1cc(=O)n2[n-]c([C@@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)cc2n1 ZINC000012276575 494218811 /nfs/dbraw/zinc/21/88/11/494218811.db2.gz HVBBQWYJOZTSPT-CYBMUJFWSA-N 0 1 358.392 3.265 40 0 FGABMN Cc1ccc([C@H](C)CCN2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)o1 ZINC000012366426 494227830 /nfs/dbraw/zinc/22/78/30/494227830.db2.gz KVNQJJKUNQIILX-WTGRHJARSA-N 0 1 366.461 3.398 40 0 FGABMN Fc1cccnc1OC[C@]12CCCO[C@H]1CCN(Cc1ccncc1)C2 ZINC000096040477 494998247 /nfs/dbraw/zinc/99/82/47/494998247.db2.gz ZBWJZMOHNWESKS-AZUAARDMSA-N 0 1 357.429 3.066 40 0 FGABMN COc1cccc(CN2CC3(C2)C[C@H](OCC2CCOCC2)CS3)c1 ZINC000585104653 507569966 /nfs/dbraw/zinc/56/99/66/507569966.db2.gz KGZPKAOXNBOJET-IBGZPJMESA-N 0 1 363.523 3.198 40 0 FGABMN CO[C@@]1(COc2ccccc2C)CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000585277485 507583571 /nfs/dbraw/zinc/58/35/71/507583571.db2.gz VOTGMXIRIGHVRK-NRFANRHFSA-N 0 1 355.434 3.363 40 0 FGABMN Cc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccnc4)C2)OC3)c1 ZINC000306139916 534551027 /nfs/dbraw/zinc/55/10/27/534551027.db2.gz UDTBLUNWCHRVGU-QFIPXVFZSA-N 0 1 360.461 3.428 40 0 FGABMN CNC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C1 ZINC000257343835 529929024 /nfs/dbraw/zinc/92/90/24/529929024.db2.gz ZUPTZDYPHSGYLB-JOCHJYFZSA-N 0 1 366.461 3.400 40 0 FGABMN Cc1nc(Nc2nccs2)cc([C@@H]2CCCCN2C(=O)c2ccn[nH]2)n1 ZINC000257224369 223026968 /nfs/dbraw/zinc/02/69/68/223026968.db2.gz FBNXDNFJPZRAOB-AWEZNQCLSA-N 0 1 369.454 3.076 40 0 FGABMN Cc1cnc(Nc2nccnc2[C@H]2CCCN(Cc3cnn(C)c3)C2)s1 ZINC000257342525 223072741 /nfs/dbraw/zinc/07/27/41/223072741.db2.gz ZPAVRAJWMJKLHH-HNNXBMFYSA-N 0 1 369.498 3.098 40 0 FGABMN 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