smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCC[N@@H+](CC[C@H]2CN(C(=O)C3CCCCC3)CC[C@H]2CC(=O)[O-])CC1 ZINC000012481037 291202691 /nfs/dbraw/zinc/20/26/91/291202691.db2.gz XBJBKUQSCIAVGM-SFTDATJTSA-N 0 1 421.582 2.450 40 0 biogenic,in-vitro HEABMN COc1ccc(CN2C[C@@H]3CN(C(=O)C4CCOCC4)CCN3C(C)(C)C2)cc1 ZINC000253403734 291208306 /nfs/dbraw/zinc/20/83/06/291208306.db2.gz QJQSUTHQUMYQQK-HXUWFJFHSA-N 0 1 401.551 2.229 40 0 biogenic,in-vitro HEABMN COc1ccccc1N1CCN(C[C@@H](O)COCCOc2ccc(F)cc2)CC1 ZINC000041690261 524556180 /nfs/dbraw/zinc/55/61/80/524556180.db2.gz OYAZWPNFXZROKZ-LJQANCHMSA-N 0 1 404.482 2.413 40 0 HEABMN COc1ccccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000408601753 557522204 /nfs/dbraw/zinc/52/22/04/557522204.db2.gz HCKMQOFBJYZDSG-HNNXBMFYSA-N 0 1 420.487 2.122 40 0 HEABMN O=C(NCc1cccnc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008254271 557778488 /nfs/dbraw/zinc/77/84/88/557778488.db2.gz NVYLMAITTSMOSF-NJYVYQBISA-N 0 1 402.502 2.367 40 0 biogenic,in-vitro HEABMN COc1ccc(NC(=O)[C@H]2C[C@@H]([C@@H](C)O)N[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000035883684 558795582 /nfs/dbraw/zinc/79/55/82/558795582.db2.gz CPLYWWPWWQYOHJ-JZPGYVBKSA-N 0 1 415.877 2.494 40 0 HEABMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]([C@H](C)O)N[C@]12C(=O)Nc1ccccc12 ZINC000035877468 558795651 /nfs/dbraw/zinc/79/56/51/558795651.db2.gz QMLNGBPKBHKELV-GFNDCGQZSA-N 0 1 415.877 2.494 40 0 HEABMN O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014539 558836733 /nfs/dbraw/zinc/83/67/33/558836733.db2.gz CNNGPTSYAZAVGW-LJQANCHMSA-N 0 1 400.523 2.161 40 0 HEABMN O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014539 558836735 /nfs/dbraw/zinc/83/67/35/558836735.db2.gz CNNGPTSYAZAVGW-LJQANCHMSA-N 0 1 400.523 2.161 40 0 HEABMN COc1cccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)c1 ZINC000019448275 558887036 /nfs/dbraw/zinc/88/70/36/558887036.db2.gz PXTVPVWEDUCVFD-FQEVSTJZSA-N 0 1 410.518 2.451 40 0 HEABMN COc1cccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)c1 ZINC000019448275 558887038 /nfs/dbraw/zinc/88/70/38/558887038.db2.gz PXTVPVWEDUCVFD-FQEVSTJZSA-N 0 1 410.518 2.451 40 0 HEABMN C[C@H]1CCCCN1CC(=O)N1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)COCCC(=O)N2 ZINC000019496350 558895237 /nfs/dbraw/zinc/89/52/37/558895237.db2.gz VQTNMUYOTUFSPR-YHEJKZAPSA-N 0 1 421.488 2.040 40 0 HEABMN COCc1nc2ccccc2n1CC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000019656448 558949316 /nfs/dbraw/zinc/94/93/16/558949316.db2.gz MLBAWHUSJNNAAC-UHFFFAOYSA-N 0 1 400.523 2.144 40 0 HEABMN CS(=O)(=O)N1C[C@H](C(=O)Nc2n[nH]c(CC3CCCCC3)n2)Oc2ccccc21 ZINC000019666083 558956046 /nfs/dbraw/zinc/95/60/46/558956046.db2.gz BCNPJIVOLVKYMF-MRXNPFEDSA-N 0 1 419.507 2.093 40 0 HEABMN CS(=O)(=O)N1C[C@H](C(=O)Nc2nc(CC3CCCCC3)n[nH]2)Oc2ccccc21 ZINC000019666083 558956048 /nfs/dbraw/zinc/95/60/48/558956048.db2.gz BCNPJIVOLVKYMF-MRXNPFEDSA-N 0 1 419.507 2.093 40 0 HEABMN Cn1cnc(S(=O)(=O)N2CC[C@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)c1 ZINC000072371761 558958988 /nfs/dbraw/zinc/95/89/88/558958988.db2.gz WFDRUHXDIQKVQY-AWEZNQCLSA-N 0 1 419.482 2.082 40 0 HEABMN Cc1nc([C@H]2CCCCN2C(=O)CN(C)C)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019696052 558964333 /nfs/dbraw/zinc/96/43/33/558964333.db2.gz MMTYHAZWTCRXCW-LJQANCHMSA-N 0 1 422.533 2.275 40 0 HEABMN Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccnc(N3CCOCC3)c2)cs1 ZINC000585109198 559030281 /nfs/dbraw/zinc/03/02/81/559030281.db2.gz ZSIYCYZNAPFUSL-OALUTQOASA-N 0 1 413.547 2.059 40 0 HEABMN CN(C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCc4ccccc4)cn32)CC1 ZINC000096156017 559100087 /nfs/dbraw/zinc/10/00/87/559100087.db2.gz ZCPDDWJCOVATFY-UHFFFAOYSA-N 0 1 419.529 2.080 40 0 HEABMN Cc1cccc(CN2CCC3(CC2)C(=O)N(c2cnn(C)c2)CCN3CC2CC2)n1 ZINC000096230333 559102806 /nfs/dbraw/zinc/10/28/06/559102806.db2.gz GBVOTCVERHFZMD-UHFFFAOYSA-N 0 1 408.550 2.217 40 0 HEABMN COc1ccccc1CN(C)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585283614 559120673 /nfs/dbraw/zinc/12/06/73/559120673.db2.gz FNERAZYGRUQMJG-LADGPHEKSA-N 0 1 412.530 2.084 40 0 HEABMN CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(Cc2cccnc2)CC3)C1=O ZINC000097952900 559125049 /nfs/dbraw/zinc/12/50/49/559125049.db2.gz PVDVLSVDAHTSTK-HSZRJFAPSA-N 0 1 406.534 2.213 40 0 HEABMN CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(Cc2ccccn2)CC3)C1=O ZINC000097952897 559125058 /nfs/dbraw/zinc/12/50/58/559125058.db2.gz KATMOPPWBVBNTD-QHCPKHFHSA-N 0 1 406.534 2.213 40 0 HEABMN Cc1ocnc1C(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257245257 559284218 /nfs/dbraw/zinc/28/42/18/559284218.db2.gz IORPIMIBICHXMG-SXWKCWPCSA-N 0 1 413.518 2.287 40 0 HEABMN CCOC(=O)C1C(CSc2ncnn2C)=NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000005018389 560623641 /nfs/dbraw/zinc/62/36/41/560623641.db2.gz VUTLESILHRKHQV-MRXNPFEDSA-N 0 1 401.492 2.395 40 0 HEABMN C[C@@H]1CN(C(=O)c2cn[nH]c2[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)C[C@H](C)O1 ZINC000409412806 560723085 /nfs/dbraw/zinc/72/30/85/560723085.db2.gz JDFHYXHPLZVVHQ-HLLBOEOZSA-N 0 1 414.481 2.357 40 0 HEABMN COC(=O)[C@H]1c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000012580362 560782910 /nfs/dbraw/zinc/78/29/10/560782910.db2.gz NENBHCDKYAJCPI-KKZNHRDASA-N 0 1 410.860 2.010 40 0 HEABMN CCN1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000019528024 560874741 /nfs/dbraw/zinc/87/47/41/560874741.db2.gz WYTDGYXRLKWLSI-QFIPXVFZSA-N 0 1 422.533 2.466 40 0 HEABMN O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(CN(C3CCC(F)(F)CC3)C2)C1 ZINC000604381173 568489184 /nfs/dbraw/zinc/48/91/84/568489184.db2.gz DVCQIIWEMZMNHI-LJQANCHMSA-N 0 1 405.489 2.476 40 0 biogenic,in-vitro HEABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1 ZINC000223248768 568542551 /nfs/dbraw/zinc/54/25/51/568542551.db2.gz VRMYFNHHJZNJRP-UHFFFAOYSA-N 0 1 420.487 2.440 40 0 HEABMN O=C(Nc1nnc(S(=O)(=O)NCc2ccncc2)s1)c1ccccc1Cl ZINC000224234711 568574749 /nfs/dbraw/zinc/57/47/49/568574749.db2.gz DWRVITAKHAIPRP-UHFFFAOYSA-N 0 1 409.880 2.317 40 0 HEABMN CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC ZINC000096306091 568723421 /nfs/dbraw/zinc/72/34/21/568723421.db2.gz KXOROWTYVVCOSY-MRXNPFEDSA-N 0 1 414.487 2.405 40 0 HEABMN Cc1cc(N2CCC[C@@](O)(CNC(=O)CCCN3Cc4ccccc4C3)C2)ncn1 ZINC000257260356 568792878 /nfs/dbraw/zinc/79/28/78/568792878.db2.gz LCNLWQVXSKHHSQ-HSZRJFAPSA-N 0 1 409.534 2.029 40 0 HEABMN Cc1nonc1CC(=O)N1CCO[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000257296089 568803414 /nfs/dbraw/zinc/80/34/14/568803414.db2.gz RBEJCTKQJVJPPM-LJQANCHMSA-N 0 1 415.425 2.004 40 0 HEABMN O=C(CCc1ccccc1F)N1CCC[C@H](c2[nH]ncc2C(=O)N2CCOCC2)C1 ZINC000257311798 568807660 /nfs/dbraw/zinc/80/76/60/568807660.db2.gz ULAXKVKNDVPELP-KRWDZBQOSA-N 0 1 414.481 2.360 40 0 HEABMN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4nccs4)C[C@@H]2C3)cc1 ZINC000306124426 568887479 /nfs/dbraw/zinc/88/74/79/568887479.db2.gz BPNFUMXSYZETSI-KBPBESRZSA-N 0 1 410.503 2.300 40 0 HEABMN O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306138947 568900934 /nfs/dbraw/zinc/90/09/34/568900934.db2.gz SLIWMGSEEOHSOD-UPVQGACJSA-N 0 1 415.497 2.269 40 0 HEABMN O=C([N-][C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000575421064 569025745 /nfs/dbraw/zinc/02/57/45/569025745.db2.gz MUOBQWGFPQIWDU-QWRGUYRKSA-N 0 1 420.145 2.082 40 0 HEABMN O=C(c1cccc2ccccc21)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224318776 569057191 /nfs/dbraw/zinc/05/71/91/569057191.db2.gz WYDJTUZOJVXBLA-UHFFFAOYSA-N 0 1 403.486 2.429 40 0 HEABMN O=C(Nc1cccc(Cl)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000224330620 569058540 /nfs/dbraw/zinc/05/85/40/569058540.db2.gz HFKNXOZSWSEPRK-UHFFFAOYSA-N 0 1 402.886 2.321 40 0 HEABMN CNC(=O)c1cnc([C@@H]2CCN(C(=O)c3cc(-c4cccc(OC)c4)[nH]n3)C2)nc1C ZINC000019757530 569348828 /nfs/dbraw/zinc/34/88/28/569348828.db2.gz PPSOFMQSVAMSRY-OAHLLOKOSA-N 0 1 420.473 2.173 40 0 HEABMN COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n[nH]1 ZINC000072371645 524679194 /nfs/dbraw/zinc/67/91/94/524679194.db2.gz RHPKFTAXNXDPRW-INIZCTEOSA-N 0 1 422.485 2.368 40 0 HEABMN Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(N3CCN(C)CC3)cc2)ncc1C(N)=O ZINC000019764553 527040777 /nfs/dbraw/zinc/04/07/77/527040777.db2.gz MCGOVRORGOAAOJ-FQEVSTJZSA-N 0 1 422.533 2.003 40 0 HEABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000408607016 557519022 /nfs/dbraw/zinc/51/90/22/557519022.db2.gz PRDUILMZCLZPDD-UHFFFAOYSA-N 0 1 418.471 2.055 40 0 HEABMN COc1ccccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000408601754 557522196 /nfs/dbraw/zinc/52/21/96/557522196.db2.gz HCKMQOFBJYZDSG-OAHLLOKOSA-N 0 1 420.487 2.122 40 0 HEABMN COc1cc(OC)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1NC(C)=O ZINC000004239970 557531525 /nfs/dbraw/zinc/53/15/25/557531525.db2.gz ZTSQYEYPEPVVCT-UHFFFAOYSA-N 0 1 408.432 2.234 40 0 HEABMN CN1CCC(NS(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)C2CCCC2)CC3)CC1 ZINC000019749553 558269086 /nfs/dbraw/zinc/26/90/86/558269086.db2.gz MLWSWPAOPGJSHT-FQEVSTJZSA-N 0 1 405.564 2.353 40 0 HEABMN Cc1nc([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763493 558277333 /nfs/dbraw/zinc/27/73/33/558277333.db2.gz VNTJYGHDQGPDOC-KRWDZBQOSA-N 0 1 404.474 2.458 40 0 HEABMN CCn1nc(C)c(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C ZINC000012222273 558356092 /nfs/dbraw/zinc/35/60/92/558356092.db2.gz AFHUGRAUMPSKIW-FQEVSTJZSA-N 0 1 403.552 2.462 40 0 HEABMN Cc1ccc([C@@H](CNC(=O)c2cc(-c3cnn(C)c3)on2)N2CCN(C)CC2)cc1 ZINC000022888261 558518941 /nfs/dbraw/zinc/51/89/41/558518941.db2.gz YJCVPFCTBSRHKH-HXUWFJFHSA-N 0 1 408.506 2.102 40 0 HEABMN CCS(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019520312 558901205 /nfs/dbraw/zinc/90/12/05/558901205.db2.gz FYWFIXMTHBBLIW-AWEZNQCLSA-N 0 1 422.576 2.331 40 0 HEABMN COc1ccc(CN2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)c(OC)c1 ZINC000019552212 558915879 /nfs/dbraw/zinc/91/58/79/558915879.db2.gz DKNZUMLBBNVJFQ-UHFFFAOYSA-N 0 1 409.486 2.441 40 0 HEABMN CN1CCC[C@H](NC(=O)c2ccc(C3CCN(C(=O)c4ccccn4)CC3)nc2)C1 ZINC000072374434 558961960 /nfs/dbraw/zinc/96/19/60/558961960.db2.gz HOPHTGJTPAPXNC-IBGZPJMESA-N 0 1 407.518 2.320 40 0 HEABMN CC(=O)Nc1ccc(CN2CCCC[C@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000072374610 558962437 /nfs/dbraw/zinc/96/24/37/558962437.db2.gz ZILHFARMQMLGQG-FQEVSTJZSA-N 0 1 421.501 2.318 40 0 HEABMN CC(=O)Nc1ccc(CN2CCCC[C@@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000072374609 558962534 /nfs/dbraw/zinc/96/25/34/558962534.db2.gz ZILHFARMQMLGQG-HXUWFJFHSA-N 0 1 421.501 2.318 40 0 HEABMN O=C(CN1CCOCC1)N1CCC[C@@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 ZINC000072378340 558967545 /nfs/dbraw/zinc/96/75/45/558967545.db2.gz FBBKQITTYLKHSB-HXUWFJFHSA-N 0 1 402.470 2.166 40 0 HEABMN CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cnc(C)nc2)C3)c(OCC)n1 ZINC000100149764 559130765 /nfs/dbraw/zinc/13/07/65/559130765.db2.gz LQKQYZVVEYUZOT-ROUUACIJSA-N 0 1 413.522 2.492 40 0 HEABMN CCOc1ncc(C2(O)C3CCCC2CN(Cc2cnc(C)nc2)C3)c(OCC)n1 ZINC000100149764 559130769 /nfs/dbraw/zinc/13/07/69/559130769.db2.gz LQKQYZVVEYUZOT-ROUUACIJSA-N 0 1 413.522 2.492 40 0 HEABMN CCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCOCC2)CC4)C1 ZINC000100233626 559132662 /nfs/dbraw/zinc/13/26/62/559132662.db2.gz XTZRTTGOPMMXBY-OAHLLOKOSA-N 0 1 413.522 2.088 40 0 HEABMN Cc1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)no1 ZINC000257328688 559283238 /nfs/dbraw/zinc/28/32/38/559283238.db2.gz XGSFGFXIKNHABF-MQSCRBSSSA-N 0 1 413.518 2.287 40 0 HEABMN O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)C1CCOCC1 ZINC000257242477 559284186 /nfs/dbraw/zinc/28/41/86/559284186.db2.gz ICSYWELDKVLFPF-WPFOTENUSA-N 0 1 416.562 2.103 40 0 HEABMN COC(=O)C1=C(CN2C[C@@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731140 560808597 /nfs/dbraw/zinc/80/85/97/560808597.db2.gz HPQPUHWWPCAXES-YRVVQQKDSA-N 0 1 417.506 2.463 40 0 HEABMN COC(=O)C1C(CN2C[C@@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731140 560808599 /nfs/dbraw/zinc/80/85/99/560808599.db2.gz HPQPUHWWPCAXES-YRVVQQKDSA-N 0 1 417.506 2.463 40 0 HEABMN CC(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccccc2Cl)s1 ZINC000224198393 568573497 /nfs/dbraw/zinc/57/34/97/568573497.db2.gz KHYPYIAZYVDEIP-UHFFFAOYSA-N 0 1 406.942 2.362 40 0 HEABMN COc1cc2c(cc1CN1CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C1)OCCO2 ZINC000257215465 568780635 /nfs/dbraw/zinc/78/06/35/568780635.db2.gz CQFNVJQLMQHWPW-AWEZNQCLSA-N 0 1 400.479 2.271 40 0 HEABMN Cc1nn(C)cc1NC(=O)CN1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257223263 568782920 /nfs/dbraw/zinc/78/29/20/568782920.db2.gz DWOYQJPGJLMCMI-RFWXGWTQSA-N 0 1 409.534 2.411 40 0 HEABMN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccnc3)[C@H](N3CCCCC3)[C@H]2O)c1 ZINC000257231076 568785063 /nfs/dbraw/zinc/78/50/63/568785063.db2.gz GFCLDHBCEBMBEU-CZYKHXBRSA-N 0 1 411.502 2.255 40 0 HEABMN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)c2nccn2C)C1 ZINC000257242557 568788248 /nfs/dbraw/zinc/78/82/48/568788248.db2.gz IDCLURJBKOCMEG-QGZVFWFLSA-N 0 1 406.490 2.435 40 0 HEABMN COc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]ncc3C(=O)N3CCCC3)C2)cc1 ZINC000257279462 568798265 /nfs/dbraw/zinc/79/82/65/568798265.db2.gz OGTQXBRZIKIOMY-HNNXBMFYSA-N 0 1 418.519 2.223 40 0 HEABMN Cc1cnc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)cn1 ZINC000257339660 568815948 /nfs/dbraw/zinc/81/59/48/568815948.db2.gz ZCRAGMKJVYFELT-CQOQZXRMSA-N 0 1 424.545 2.089 40 0 HEABMN CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CCN(C(=O)c3ccco3)CC2)O1 ZINC000306127520 568890576 /nfs/dbraw/zinc/89/05/76/568890576.db2.gz GAONVXTWXLNLEE-FQEVSTJZSA-N 0 1 411.502 2.244 40 0 HEABMN CC(=O)N1CCC(N2CCN3[C@H](CN(C(=O)c4ccccc4F)CC3(C)C)C2)CC1 ZINC000253406033 291202406 /nfs/dbraw/zinc/20/24/06/291202406.db2.gz UCRWMKWDQMVPNM-IBGZPJMESA-N 0 1 416.541 2.057 40 0 biogenic,in-vitro HEABMN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)NC3CCCCC3)CCN21 ZINC000253394509 291210179 /nfs/dbraw/zinc/21/01/79/291210179.db2.gz BEMMPQOTFOZXAE-GGAORHGYSA-N 0 1 400.567 2.282 40 0 biogenic,in-vitro HEABMN Cc1nn2c(nnc3c(=O)n(-c4nnc[nH]4)ccc32)c1-c1ccc(Br)cc1 ZINC000040372814 526313351 /nfs/dbraw/zinc/31/33/51/526313351.db2.gz UBFSURZMMWGHHU-UHFFFAOYSA-N 0 1 423.234 2.284 40 0 HEABMN 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CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1c(C)nc(-c2ccccc2)nc1OC ZINC000022863803 558517883 /nfs/dbraw/zinc/51/78/83/558517883.db2.gz OAMBABBMLQOYSO-IBGZPJMESA-N 0 1 411.550 2.145 40 0 HEABMN O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014474 558836587 /nfs/dbraw/zinc/83/65/87/558836587.db2.gz PJHRBTUYFGMKHG-JXFKEZNVSA-N 0 1 412.534 2.327 40 0 HEABMN O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014474 558836589 /nfs/dbraw/zinc/83/65/89/558836589.db2.gz PJHRBTUYFGMKHG-JXFKEZNVSA-N 0 1 412.534 2.327 40 0 HEABMN CC(C)[N@@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3ccnc(N(C)C)c3)[n-]c(=O)c2C1 ZINC000019448184 558887183 /nfs/dbraw/zinc/88/71/83/558887183.db2.gz YFDAOBSDRCOAHE-IBGZPJMESA-N 0 1 424.549 2.365 40 0 HEABMN CC(C)[N@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3ccnc(N(C)C)c3)[n-]c(=O)c2C1 ZINC000019448184 558887185 /nfs/dbraw/zinc/88/71/85/558887185.db2.gz YFDAOBSDRCOAHE-IBGZPJMESA-N 0 1 424.549 2.365 40 0 HEABMN O=C(c1ccc(CN2CCCCC2)o1)N1CCc2c(=O)[nH]c(N3CCCC3)nc2C1 ZINC000072346946 558943710 /nfs/dbraw/zinc/94/37/10/558943710.db2.gz NRWIYVIUKJODOE-UHFFFAOYSA-N 0 1 411.506 2.148 40 0 HEABMN COc1ccc(CCC(=O)N2CCN(C)C[C@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000072355156 558952618 /nfs/dbraw/zinc/95/26/18/558952618.db2.gz GIIDSHXDKUREQZ-IBGZPJMESA-N 0 1 411.550 2.117 40 0 HEABMN CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(CC(=O)N3CCOCC3)C2)c1 ZINC000072358539 558954095 /nfs/dbraw/zinc/95/40/95/558954095.db2.gz IYDFEIDVUDECHK-LJQANCHMSA-N 0 1 423.517 2.140 40 0 HEABMN CNC(=O)c1cnc(C)nc1CCNC(=O)[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000019697295 558964897 /nfs/dbraw/zinc/96/48/97/558964897.db2.gz OAIAZZRIGYGRME-NRFANRHFSA-N 0 1 409.534 2.277 40 0 HEABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(=O)COc1ccc(F)cc1)CC2 ZINC000019710311 558972221 /nfs/dbraw/zinc/97/22/21/558972221.db2.gz RWOYWRVICKNUKY-OAHLLOKOSA-N 0 1 413.497 2.430 40 0 HEABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(=O)CC1(O)CCCCC1)CC2 ZINC000019710553 558972560 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ZINC000113945104 559182563 /nfs/dbraw/zinc/18/25/63/559182563.db2.gz ZRLDLDDNZJEYCQ-UHFFFAOYSA-N 0 1 416.547 2.477 40 0 HEABMN Cc1cc(C)n(CCOc2ccc(CN3CCC[C@]3(C)C(=O)NCCO)cc2)n1 ZINC000257236182 559284116 /nfs/dbraw/zinc/28/41/16/559284116.db2.gz HBCPWCQYZLESSW-JOCHJYFZSA-N 0 1 400.523 2.042 40 0 HEABMN CCN1CCN([C@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)CC1 ZINC000019528010 560874753 /nfs/dbraw/zinc/87/47/53/560874753.db2.gz FOROIRCVIOWITM-NRFANRHFSA-N 0 1 424.480 2.316 40 0 HEABMN CCN(CC)C(=O)CN1CCC(c2cc3nc(N(CC)CC)ncc3c(=O)[nH]2)CC1 ZINC000057775391 568497420 /nfs/dbraw/zinc/49/74/20/568497420.db2.gz KZBOOGTZOGROQA-UHFFFAOYSA-N 0 1 414.554 2.212 40 0 HEABMN COc1ccc(CCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000223357097 568546318 /nfs/dbraw/zinc/54/63/18/568546318.db2.gz MBYBMAODBZNAAO-UHFFFAOYSA-N 0 1 418.500 2.320 40 0 HEABMN COc1ccc(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c(OC)c1 ZINC000224316718 568577723 /nfs/dbraw/zinc/57/77/23/568577723.db2.gz FKYAKIUBHJARAJ-UHFFFAOYSA-N 0 1 420.443 2.167 40 0 HEABMN Cc1nnc(SCCNC(=O)Cn2ccc(=O)c3cc(Br)ccc32)[nH]1 ZINC000225919060 568685960 /nfs/dbraw/zinc/68/59/60/568685960.db2.gz WIKAJAKECFBHCL-UHFFFAOYSA-N 0 1 422.308 2.099 40 0 HEABMN O=C(CCNC(=O)c1cccnc1)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[nH]1 ZINC000257237138 568786651 /nfs/dbraw/zinc/78/66/51/568786651.db2.gz HFHWDUWMGLQGHP-SFHVURJKSA-N 0 1 422.464 2.413 40 0 HEABMN O=C(CCNC(=O)c1cccnc1)N1CCC[C@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000257237138 568786654 /nfs/dbraw/zinc/78/66/54/568786654.db2.gz HFHWDUWMGLQGHP-SFHVURJKSA-N 0 1 422.464 2.413 40 0 HEABMN Cc1nonc1CC(=O)N1CCO[C@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000257296088 568803435 /nfs/dbraw/zinc/80/34/35/568803435.db2.gz RBEJCTKQJVJPPM-IBGZPJMESA-N 0 1 415.425 2.004 40 0 HEABMN O=C([O-])COc1cccc(C[N@H+]2CC[C@]3(C2)COCc2cnc(NC4CC4)nc23)c1 ZINC000306129448 568892118 /nfs/dbraw/zinc/89/21/18/568892118.db2.gz IDPHDPNUMYPJBY-QFIPXVFZSA-N 0 1 410.474 2.188 40 0 HEABMN Cn1cc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)cn1 ZINC000306129746 568892212 /nfs/dbraw/zinc/89/22/12/568892212.db2.gz ILNYPYIGQQHAJV-RBBKRZOGSA-N 0 1 423.542 2.274 40 0 HEABMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1 ZINC000224345074 569059419 /nfs/dbraw/zinc/05/94/19/569059419.db2.gz FODWDOBGLMKSIJ-UHFFFAOYSA-N 0 1 418.523 2.292 40 0 HEABMN CN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224345677 569059497 /nfs/dbraw/zinc/05/94/97/569059497.db2.gz FGJLPGQVHOZNJH-UHFFFAOYSA-N 0 1 419.507 2.105 40 0 HEABMN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CCN21 ZINC000253401490 291210190 /nfs/dbraw/zinc/21/01/90/291210190.db2.gz NASUWTOZLYAVTL-NOZRDPDXSA-N 0 1 407.558 2.399 40 0 biogenic,in-vitro HEABMN Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccco2)N3C)cc1 ZINC000035442370 291210377 /nfs/dbraw/zinc/21/03/77/291210377.db2.gz GZXUPJSYLNUPMU-WPYKKVEZSA-N 0 1 424.545 2.058 40 0 biogenic,in-vitro HEABMN O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2nc[nH]c2CN1Cc1ccc(CO)o1 ZINC000015676385 291212027 /nfs/dbraw/zinc/21/20/27/291212027.db2.gz DMUAJUCGDBVAGP-IBGZPJMESA-N 0 1 400.866 2.392 40 0 biogenic,in-vitro HEABMN CCc1n[nH]c(-n2ccc3nc4nc(C)nn4c(-c4cccc(OC)c4)c3c2=O)n1 ZINC000040398526 522122647 /nfs/dbraw/zinc/12/26/47/522122647.db2.gz BAWOHQPASXCFHP-UHFFFAOYSA-N 0 1 402.418 2.093 40 0 HEABMN CCc1nc(-n2ccc3nc4nc(C)nn4c(-c4cccc(OC)c4)c3c2=O)n[nH]1 ZINC000040398526 522122657 /nfs/dbraw/zinc/12/26/57/522122657.db2.gz BAWOHQPASXCFHP-UHFFFAOYSA-N 0 1 402.418 2.093 40 0 HEABMN CN1CCC(NS(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)C2CCCC2)CC3)CC1 ZINC000019749552 558269120 /nfs/dbraw/zinc/26/91/20/558269120.db2.gz MLWSWPAOPGJSHT-HXUWFJFHSA-N 0 1 405.564 2.353 40 0 HEABMN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020030492 558324188 /nfs/dbraw/zinc/32/41/88/558324188.db2.gz BDNVPJQGRDWOET-UHFFFAOYSA-N 0 1 417.287 2.210 40 0 HEABMN O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@H](c2[nH]ncc2-c2ccncc2)C1 ZINC000012144699 558335939 /nfs/dbraw/zinc/33/59/39/558335939.db2.gz VQQIOEVVAOJRPB-KRWDZBQOSA-N 0 1 400.446 2.467 40 0 HEABMN Cc1ccc(C2(CN3CCC(NC(=O)C[C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000019208348 558847535 /nfs/dbraw/zinc/84/75/35/558847535.db2.gz KIHGZTKSMNLELR-GOSISDBHSA-N 0 1 404.576 2.432 40 0 HEABMN O=C(C(=O)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1)c1cccs1 ZINC000019375614 558881738 /nfs/dbraw/zinc/88/17/38/558881738.db2.gz SNPFWNNFNGWLPP-GFCCVEGCSA-N 0 1 403.485 2.192 40 0 HEABMN COc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)c1 ZINC000019448273 558887164 /nfs/dbraw/zinc/88/71/64/558887164.db2.gz PXTVPVWEDUCVFD-HXUWFJFHSA-N 0 1 410.518 2.451 40 0 HEABMN COc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)c1 ZINC000019448273 558887165 /nfs/dbraw/zinc/88/71/65/558887165.db2.gz PXTVPVWEDUCVFD-HXUWFJFHSA-N 0 1 410.518 2.451 40 0 HEABMN Cc1[nH]n(-c2cccc(C(=O)NCCS(=O)(=O)N3CCCC[C@H]3C)c2)c(=O)c1C ZINC000019557352 558919504 /nfs/dbraw/zinc/91/95/04/558919504.db2.gz XTHSWFYVLGVWFM-CQSZACIVSA-N 0 1 420.535 2.129 40 0 HEABMN COc1cc(OC)c(OC)cc1CN1CCc2nc(-c3ccncc3)[nH]c(=O)c2CC1 ZINC000019595009 558945923 /nfs/dbraw/zinc/94/59/23/558945923.db2.gz JFGXUYRABIXNNP-UHFFFAOYSA-N 0 1 422.485 2.459 40 0 HEABMN CN1CCN(c2cc(C(=O)N3CCN(c4nc5ccccc5s4)CC3)ccn2)CC1 ZINC000019654687 558948024 /nfs/dbraw/zinc/94/80/24/558948024.db2.gz URCJKQLUCZGCHJ-UHFFFAOYSA-N 0 1 422.558 2.406 40 0 HEABMN CN1CCC[C@@H](NC(=O)c2ccc(C3CCN(C(=O)c4ccccn4)CC3)nc2)C1 ZINC000072374435 558961950 /nfs/dbraw/zinc/96/19/50/558961950.db2.gz HOPHTGJTPAPXNC-LJQANCHMSA-N 0 1 407.518 2.320 40 0 HEABMN COCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2csc(C)c2)CC3)CC1 ZINC000072398970 558976552 /nfs/dbraw/zinc/97/65/52/558976552.db2.gz VQUZCERUJYTVOU-UHFFFAOYSA-N 0 1 416.547 2.051 40 0 HEABMN CN(CC(=O)Nc1ccc2nc(Cc3ccccc3)[nH]c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000019716095 558977719 /nfs/dbraw/zinc/97/77/19/558977719.db2.gz BNDGMGVCXHWNDR-KRWDZBQOSA-N 0 1 412.515 2.211 40 0 HEABMN O=C(NCC(F)(F)F)[C@H]1CN(Cc2ncc(C(F)(F)F)[nH]2)CC12CCOCC2 ZINC000585101912 559025088 /nfs/dbraw/zinc/02/50/88/559025088.db2.gz IZEYTBHKTNTPMD-SNVBAGLBSA-N 0 1 414.350 2.336 40 0 HEABMN COCCNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297635 559035418 /nfs/dbraw/zinc/03/54/18/559035418.db2.gz QXDLEPQGMNBOSM-POAQFYNOSA-N 0 1 415.563 2.043 40 0 biogenic,in-vitro HEABMN CC(=O)N1CCC[N@@H+](CC[C@H]2CN(C(=O)C3CCCC3)CC[C@H]2CC(=O)[O-])CC1 ZINC000020463201 560093050 /nfs/dbraw/zinc/09/30/50/560093050.db2.gz PCPJBENTSGELHP-PMACEKPBSA-N 0 1 407.555 2.060 40 0 biogenic,in-vitro HEABMN Cc1c(NC(=O)CSc2nc(-c3ccncc3)n[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000001443198 560583236 /nfs/dbraw/zinc/58/32/36/560583236.db2.gz AVLLDPPTBLQOBN-UHFFFAOYSA-N 0 1 421.486 2.395 40 0 HEABMN C[C@@H]1CN(C(=O)c2cn[nH]c2[C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)C[C@@H](C)O1 ZINC000409412807 560723066 /nfs/dbraw/zinc/72/30/66/560723066.db2.gz JDFHYXHPLZVVHQ-INMHGKMJSA-N 0 1 414.481 2.357 40 0 HEABMN Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccn3)CC1)=N[C@@H]2[C@@H]1CC=CCC1 ZINC000009289592 560757878 /nfs/dbraw/zinc/75/78/78/560757878.db2.gz JHDOQOYMUPSVDJ-XLIONFOSSA-N 0 1 405.506 2.405 40 0 HEABMN CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)[O-])CC3)C2=O)cc1 ZINC000014607406 560847045 /nfs/dbraw/zinc/84/70/45/560847045.db2.gz DFMZDCPAHZPOKB-KRWDZBQOSA-N 0 1 402.447 2.072 40 0 HEABMN CCN1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000019528025 560874682 /nfs/dbraw/zinc/87/46/82/560874682.db2.gz WYTDGYXRLKWLSI-JOCHJYFZSA-N 0 1 422.533 2.466 40 0 HEABMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1C ZINC000223825048 568559937 /nfs/dbraw/zinc/55/99/37/568559937.db2.gz UAUYEKGDNBRZIA-UHFFFAOYSA-N 0 1 403.504 2.334 40 0 HEABMN COc1cc2c(cc1CN1CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C1)OCCO2 ZINC000257215466 568780556 /nfs/dbraw/zinc/78/05/56/568780556.db2.gz CQFNVJQLMQHWPW-CQSZACIVSA-N 0 1 400.479 2.271 40 0 HEABMN Cc1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)on1 ZINC000257221879 568782503 /nfs/dbraw/zinc/78/25/03/568782503.db2.gz DQXSPTHHSXVKMC-TXTKFYIRSA-N 0 1 413.518 2.287 40 0 HEABMN CCN(CC)C(=O)c1cn[nH]c1C1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 ZINC000257223717 568783099 /nfs/dbraw/zinc/78/30/99/568783099.db2.gz DYPMGYGPNDLMRD-IBGZPJMESA-N 0 1 423.517 2.473 40 0 HEABMN CN(C)c1ncc(CN2CCO[C@@H](c3cc(CCOc4ccccc4)[nH]n3)C2)cn1 ZINC000257227892 568784256 /nfs/dbraw/zinc/78/42/56/568784256.db2.gz FRKGWGQPGUFWNF-OAQYLSRUSA-N 0 1 408.506 2.461 40 0 HEABMN O=C(CCNC(=O)c1cccnc1)N1CCC[C@@H]1c1nnc(Cc2ccc(F)cc2)[nH]1 ZINC000257237137 568786744 /nfs/dbraw/zinc/78/67/44/568786744.db2.gz HFHWDUWMGLQGHP-GOSISDBHSA-N 0 1 422.464 2.413 40 0 HEABMN O=C(CCNC(=O)c1cccnc1)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000257237137 568786746 /nfs/dbraw/zinc/78/67/46/568786746.db2.gz HFHWDUWMGLQGHP-GOSISDBHSA-N 0 1 422.464 2.413 40 0 HEABMN CS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3cccnc3)CC2)o1 ZINC000257250868 568790518 /nfs/dbraw/zinc/79/05/18/568790518.db2.gz JOJLLZWUPVGPNT-QGZVFWFLSA-N 0 1 405.524 2.331 40 0 HEABMN CN1C(=O)CO[C@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3OCC(=O)[O-])CC[C@@H]21 ZINC000257265605 568794173 /nfs/dbraw/zinc/79/41/73/568794173.db2.gz LZJRGHMKJYPUCA-ROUUACIJSA-N 0 1 404.507 2.269 40 0 HEABMN CN(C(=O)CCCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257319556 568810276 /nfs/dbraw/zinc/81/02/76/568810276.db2.gz VTABSIPGMCMNQM-DBXWQHBBSA-N 0 1 420.941 2.222 40 0 HEABMN O=C1N(Cc2cccnc2)CCO[C@]12CN(Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306123272 568886479 /nfs/dbraw/zinc/88/64/79/568886479.db2.gz AIVPHBAWXUAIHW-VWNXMTODSA-N 0 1 415.497 2.269 40 0 HEABMN O=C1N(Cc2cccnc2)CCO[C@]12CN(Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306142992 568904729 /nfs/dbraw/zinc/90/47/29/568904729.db2.gz XQBGGIKSYJMMEF-GMAHTHKFSA-N 0 1 404.470 2.467 40 0 HEABMN C[C@]1(NCCNS(=O)(=O)c2ccc(C3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000575423125 569026321 /nfs/dbraw/zinc/02/63/21/569026321.db2.gz OHEXZQCDRYEEMI-IBGZPJMESA-N 0 1 414.593 2.179 40 0 HEABMN CC(C)[N@H+]1CCc2c(nc3cc([C@H]4CCCCN4C(=O)[C@H]4CCCO4)[n-]n3c2=O)C1 ZINC000248172758 569316651 /nfs/dbraw/zinc/31/66/51/569316651.db2.gz SYPXEONJZDDMNS-RTBURBONSA-N 0 1 413.522 2.434 40 0 HEABMN Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O ZINC000008571348 569341832 /nfs/dbraw/zinc/34/18/32/569341832.db2.gz GPRQBNAYQDHKMW-UHFFFAOYSA-N 0 1 413.817 2.415 40 0 HEABMN CCCO[C@H]1CCCN(CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019503781 569345639 /nfs/dbraw/zinc/34/56/39/569345639.db2.gz UMUHEGOBNPTIDY-MOPGFXCFSA-N 0 1 416.566 2.177 40 0 HEABMN COc1ccccc1C(=O)N1CCN2[C@H](CN(Cc3ccccc3)C[C@@]2(C)CO)C1 ZINC000253399750 291209707 /nfs/dbraw/zinc/20/97/07/291209707.db2.gz JWTMAURAQMLPGZ-YKSBVNFPSA-N 0 1 409.530 2.088 40 0 biogenic,in-vitro HEABMN Nc1[nH]c(N2CCOCC2)nc(=O)c1C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000040385533 527556399 /nfs/dbraw/zinc/55/63/99/527556399.db2.gz WNQOZJDHVATDSX-UHFFFAOYSA-N 0 1 400.291 2.283 40 0 HEABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2c(OC)cccc2OC)c1 ZINC000408569945 557467065 /nfs/dbraw/zinc/46/70/65/557467065.db2.gz REQFJIZMBIONQX-UHFFFAOYSA-N 0 1 413.474 2.495 40 0 HEABMN O[C@H](c1nc2ccc(Cl)cc2[nH]1)[C@@H](O)[C@@H](O)[C@@H](O)c1nc2cc(Cl)ccc2[nH]1 ZINC000004878722 557609255 /nfs/dbraw/zinc/60/92/55/557609255.db2.gz VRQXLMDQURXILG-GEEKYZPCSA-N 0 1 423.256 2.235 40 0 HEABMN O[C@H](c1nc2cc(Cl)ccc2[nH]1)[C@@H](O)[C@@H](O)[C@@H](O)c1nc2ccc(Cl)cc2[nH]1 ZINC000004878722 557609259 /nfs/dbraw/zinc/60/92/59/557609259.db2.gz VRQXLMDQURXILG-GEEKYZPCSA-N 0 1 423.256 2.235 40 0 HEABMN CC(CO)(CO)NCc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186515 558345680 /nfs/dbraw/zinc/34/56/80/558345680.db2.gz UVNWBJIYPGXLCO-UHFFFAOYSA-N 0 1 422.460 2.353 40 0 HEABMN COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)Cc1ccccc1 ZINC000020489879 558377438 /nfs/dbraw/zinc/37/74/38/558377438.db2.gz RMJYALIWYAIEIG-UHFFFAOYSA-N 0 1 410.517 2.422 40 0 HEABMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 ZINC000019405557 558884902 /nfs/dbraw/zinc/88/49/02/558884902.db2.gz YBKNKFNRZHDIPD-LLVKDONJSA-N 0 1 404.352 2.204 40 0 HEABMN CC(C)[N@@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3ccnc(N(C)C)c3)[n-]c(=O)c2C1 ZINC000019448186 558887140 /nfs/dbraw/zinc/88/71/40/558887140.db2.gz YFDAOBSDRCOAHE-LJQANCHMSA-N 0 1 424.549 2.365 40 0 HEABMN CC(C)[N@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3ccnc(N(C)C)c3)[n-]c(=O)c2C1 ZINC000019448186 558887142 /nfs/dbraw/zinc/88/71/42/558887142.db2.gz YFDAOBSDRCOAHE-LJQANCHMSA-N 0 1 424.549 2.365 40 0 HEABMN CCc1ncc(CN2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)cn1 ZINC000019523456 558904615 /nfs/dbraw/zinc/90/46/15/558904615.db2.gz VQNHQDANAXSDKT-OALUTQOASA-N 0 1 423.565 2.169 40 0 HEABMN COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1 ZINC000019570569 558929475 /nfs/dbraw/zinc/92/94/75/558929475.db2.gz NJJWZDDZOBYLGF-KRWDZBQOSA-N 0 1 408.502 2.475 40 0 HEABMN CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(CC(=O)N3CCOCC3)C2)c1 ZINC000072358540 558954137 /nfs/dbraw/zinc/95/41/37/558954137.db2.gz IYDFEIDVUDECHK-IBGZPJMESA-N 0 1 423.517 2.140 40 0 HEABMN COc1cccc(OCCc2cc([C@@H]3CCN(C(=O)Cc4nonc4C)C3)n[nH]2)c1 ZINC000072371512 558958318 /nfs/dbraw/zinc/95/83/18/558958318.db2.gz AEWAZISRQMCKKO-OAHLLOKOSA-N 0 1 411.462 2.290 40 0 HEABMN CCCO[C@@H]1CCCN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373110 558960812 /nfs/dbraw/zinc/96/08/12/558960812.db2.gz QLUOKWVKBBPIPS-RBUKOAKNSA-N 0 1 416.566 2.177 40 0 HEABMN O=C(COc1ccc(F)cc1)N1CCCC[C@@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 ZINC000072380710 558968723 /nfs/dbraw/zinc/96/87/23/558968723.db2.gz WKTSMIVTZJBTMJ-LJQANCHMSA-N 0 1 416.453 2.154 40 0 HEABMN COc1cccc(CN2CCC[C@]3(CCN(S(=O)(=O)c4cn(C)cn4)C3)C2)c1 ZINC000096215607 559101702 /nfs/dbraw/zinc/10/17/02/559101702.db2.gz OJOYOAGEZLFRMT-FQEVSTJZSA-N 0 1 404.536 2.106 40 0 HEABMN O=C(c1ccc2ccccc2n1)N1CCC[C@]2(C1)COCCN(Cc1c[nH]nn1)C2 ZINC000096228854 559102848 /nfs/dbraw/zinc/10/28/48/559102848.db2.gz CGZSBPOVBOTDQV-QFIPXVFZSA-N 0 1 406.490 2.108 40 0 HEABMN Cc1cncc(C(=O)N2Cc3ccccc3C3(CCN(CC(=O)N(C)C)CC3)C2)c1 ZINC000096242435 559103987 /nfs/dbraw/zinc/10/39/87/559103987.db2.gz ZGRZZCRBHBNZQL-UHFFFAOYSA-N 0 1 406.530 2.468 40 0 HEABMN Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1NS(C)(=O)=O ZINC000113942297 559182568 /nfs/dbraw/zinc/18/25/68/559182568.db2.gz ARYZDEQFJUWCHH-UHFFFAOYSA-N 0 1 402.520 2.371 40 0 HEABMN Cc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)NCCN2CCCCCC2)c(C)c1 ZINC000015935833 560857405 /nfs/dbraw/zinc/85/74/05/560857405.db2.gz HZFSRHGXKWRVHM-MUUNZHRXSA-N 0 1 407.580 2.291 40 0 HEABMN CCN1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000019527930 560874758 /nfs/dbraw/zinc/87/47/58/560874758.db2.gz GHEVQZAESYHLBB-IBGZPJMESA-N 0 1 409.538 2.305 40 0 HEABMN COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccccc4NC2=O)N2CCC[C@@H]32)c1 ZINC000033821726 568521650 /nfs/dbraw/zinc/52/16/50/568521650.db2.gz GMNXXRIOIFEQEK-KEXUJGGDSA-N 0 1 403.438 2.126 40 0 HEABMN CC(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)s1 ZINC000222784179 568526442 /nfs/dbraw/zinc/52/64/42/568526442.db2.gz DPXIBOYDAAJRNB-UHFFFAOYSA-N 0 1 406.942 2.362 40 0 HEABMN CCN(CC)C(=O)c1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)CCc2ccncc2)C1 ZINC000257227591 568784434 /nfs/dbraw/zinc/78/44/34/568784434.db2.gz FQAHMYQHOALCSP-QGZVFWFLSA-N 0 1 419.551 2.039 40 0 HEABMN CC(C)NC(=O)C1=NO[C@]2(C1)CN(C(=O)C1CCC1)CC[C@H]2NCc1ccccc1 ZINC000306132118 568894502 /nfs/dbraw/zinc/89/45/02/568894502.db2.gz KZEKREXTPHJBTB-NFBKMPQASA-N 0 1 412.534 2.217 40 0 HEABMN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306138945 568900793 /nfs/dbraw/zinc/90/07/93/568900793.db2.gz SLIWMGSEEOHSOD-ISKFKSNPSA-N 0 1 415.497 2.269 40 0 HEABMN O=C(Nc1ccccc1Cl)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224323109 569057369 /nfs/dbraw/zinc/05/73/69/569057369.db2.gz SIHFRROWRZWPDA-UHFFFAOYSA-N 0 1 402.886 2.321 40 0 HEABMN CC(=O)N[C@H]1C[C@@H](CCNC(=O)CN2CCCC2)O[C@@H](c2cc(F)cc(F)c2)C1 ZINC000019712424 569348326 /nfs/dbraw/zinc/34/83/26/569348326.db2.gz NYVMWIYPPVTSDS-XUVXKRRUSA-N 0 1 409.477 2.292 40 0 HEABMN COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1 ZINC000015672632 291206046 /nfs/dbraw/zinc/20/60/46/291206046.db2.gz ROUGEFYRIPTVCD-TYPHKJRUSA-N 0 1 423.561 2.458 40 0 biogenic,in-vitro HEABMN COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1 ZINC000015672632 291206049 /nfs/dbraw/zinc/20/60/49/291206049.db2.gz ROUGEFYRIPTVCD-TYPHKJRUSA-N 0 1 423.561 2.458 40 0 biogenic,in-vitro HEABMN COCCOc1ccnc(-c2noc([C@@H]3CCCN3C3CCN(C(C)=O)CC3)n2)c1 ZINC000035425046 291206633 /nfs/dbraw/zinc/20/66/33/291206633.db2.gz BREHAEXTPKBYCG-IBGZPJMESA-N 0 1 415.494 2.305 40 0 biogenic,in-vitro HEABMN COc1ccc(-n2c(O)c(Cc3cc(OC)c(OC)c(OC)c3)c(=O)[nH]c2=O)cc1 ZINC000004602948 132280098 /nfs/dbraw/zinc/28/00/98/132280098.db2.gz KDQGHJZBGQPPOD-HNNXBMFYSA-N 0 1 414.414 2.163 40 0 HEABMN CCc1n[nH]c(-n2ccc3nc4nc(C)nn4c(-c4ccccc4OC)c3c2=O)n1 ZINC000040398465 522122610 /nfs/dbraw/zinc/12/26/10/522122610.db2.gz WWJZNYSISOCDPZ-UHFFFAOYSA-N 0 1 402.418 2.093 40 0 HEABMN CCc1nc(-n2ccc3nc4nc(C)nn4c(-c4ccccc4OC)c3c2=O)n[nH]1 ZINC000040398465 522122621 /nfs/dbraw/zinc/12/26/21/522122621.db2.gz WWJZNYSISOCDPZ-UHFFFAOYSA-N 0 1 402.418 2.093 40 0 HEABMN COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1NC(C)=O ZINC000007109225 557735017 /nfs/dbraw/zinc/73/50/17/557735017.db2.gz YGWUCCUNXCUYTA-UHFFFAOYSA-N 0 1 418.519 2.206 40 0 HEABMN O=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 ZINC000136833129 558262170 /nfs/dbraw/zinc/26/21/70/558262170.db2.gz VBIIUHUSFOLTIU-LJQANCHMSA-N 0 1 419.916 2.041 40 0 in-vitro HEABMN CN(C)CC(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(F)cc2)CC1 ZINC000019754287 558273520 /nfs/dbraw/zinc/27/35/20/558273520.db2.gz OOAQSNKIKJHYLL-UHFFFAOYSA-N 0 1 401.486 2.154 40 0 HEABMN CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1c(C)nc(-c2ccccc2)nc1OC ZINC000022461622 558490873 /nfs/dbraw/zinc/49/08/73/558490873.db2.gz OAMBABBMLQOYSO-LJQANCHMSA-N 0 1 411.550 2.145 40 0 HEABMN CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCN(S(=O)(=O)C(C)C)C4)[n-]n3c(=O)c2C1 ZINC000019448095 558886742 /nfs/dbraw/zinc/88/67/42/558886742.db2.gz NLTXELKLMWZWSE-HNNXBMFYSA-N 0 1 421.567 2.119 40 0 HEABMN COc1ccc(S(=O)(=O)N2CCC(c3[nH]ncc3C(=O)N3CCCC3)CC2)cc1 ZINC000019557003 558919207 /nfs/dbraw/zinc/91/92/07/558919207.db2.gz OHGAJLKIYJTCFD-UHFFFAOYSA-N 0 1 418.519 2.223 40 0 HEABMN Cc1nc([C@@H]2CCCN(C(=O)CN(C)C)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019706537 558968658 /nfs/dbraw/zinc/96/86/58/558968658.db2.gz ZTVLROKHTXRALQ-GOSISDBHSA-N 0 1 408.550 2.400 40 0 HEABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 ZINC000019710300 558972047 /nfs/dbraw/zinc/97/20/47/558972047.db2.gz YLFNODMAJUUHKF-HNNXBMFYSA-N 0 1 401.536 2.075 40 0 HEABMN CN1CCCN(C(=O)c2nc(-c3cn(C[C@H]4CCCO4)cn3)n3ccccc23)CC1 ZINC000096155148 559099389 /nfs/dbraw/zinc/09/93/89/559099389.db2.gz BONVLNYLUJZEAF-QGZVFWFLSA-N 0 1 408.506 2.155 40 0 HEABMN CN1CCN(Cc2ccccc2)C[C@@H]1c1nnc2ccc(C(=O)N3CCCC3)cn21 ZINC000096156629 559100550 /nfs/dbraw/zinc/10/05/50/559100550.db2.gz YKCYLQGNZHABIU-HXUWFJFHSA-N 0 1 404.518 2.454 40 0 HEABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(OC)cc2OC)c1 ZINC000021595793 568467651 /nfs/dbraw/zinc/46/76/51/568467651.db2.gz WKBJGWPQTICXRO-UHFFFAOYSA-N 0 1 413.474 2.495 40 0 HEABMN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 ZINC000223789753 568559229 /nfs/dbraw/zinc/55/92/29/568559229.db2.gz JZEBOULBJNUYJR-UHFFFAOYSA-N 0 1 417.487 2.291 40 0 HEABMN Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1C ZINC000225212391 568623526 /nfs/dbraw/zinc/62/35/26/568623526.db2.gz PENSGMKEEOJCAY-CYBMUJFWSA-N 0 1 412.537 2.495 40 0 HEABMN NC(=O)C1CCN(C(=O)CN2CCC(c3cccc(Nc4ccccn4)n3)CC2)CC1 ZINC000257258643 568792455 /nfs/dbraw/zinc/79/24/55/568792455.db2.gz KUXFRZKMDIJBSV-UHFFFAOYSA-N 0 1 422.533 2.124 40 0 HEABMN Cc1nn(C)cc1C(=O)N1CCO[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 ZINC000257263721 568793923 /nfs/dbraw/zinc/79/39/23/568793923.db2.gz LRDSSEXAIORJNW-FQEVSTJZSA-N 0 1 413.453 2.426 40 0 HEABMN O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306138948 568900905 /nfs/dbraw/zinc/90/09/05/568900905.db2.gz SLIWMGSEEOHSOD-VWNXMTODSA-N 0 1 415.497 2.269 40 0 HEABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2nc3ncccn3n2)cc1 ZINC000000923942 568929538 /nfs/dbraw/zinc/92/95/38/568929538.db2.gz UDSLFMDIOPCMIQ-UHFFFAOYSA-N 0 1 424.442 2.186 40 0 HEABMN COc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(N)c2)cc(OC)c1OC ZINC000226263741 569278920 /nfs/dbraw/zinc/27/89/20/569278920.db2.gz LFDOXGDRWYMZEM-UHFFFAOYSA-N 0 1 400.479 2.299 40 0 HEABMN Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@H]1c1nccnc1Nc1ncccn1 ZINC000585292719 571310189 /nfs/dbraw/zinc/31/01/89/571310189.db2.gz RTEOEQSMKOSVCH-OZSKJFCKSA-N 0 1 404.478 2.737 40 0 HEABMN Cc1nnc(Nc2cc([C@H]3CCCN3C(=O)/C=C/c3cnn(C)c3)nc(C)n2)s1 ZINC000585292192 571310309 /nfs/dbraw/zinc/31/03/09/571310309.db2.gz YFGFBXXTJUFLMW-FYCOFBDGSA-N 0 1 410.507 2.799 40 0 HEABMN CCS(=O)(=O)c1ccc2oc([C@H]3CCN(C4CCN(C(C)=O)CC4)C3)nc2c1 ZINC000049169147 291204614 /nfs/dbraw/zinc/20/46/14/291204614.db2.gz VAIRZEMMCCNQNQ-HNNXBMFYSA-N 0 1 405.520 2.422 40 0 biogenic,in-vitro HEABMN O=C(NCc1cccnc1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000008254141 291212151 /nfs/dbraw/zinc/21/21/51/291212151.db2.gz MQIHTWHOIWUMTF-QFUCXCTJSA-N 0 1 418.501 2.073 40 0 biogenic,in-vitro HEABMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]([C@@H](C)O)N[C@]12C(=O)Nc1ccccc12 ZINC000035877469 558795546 /nfs/dbraw/zinc/79/55/46/558795546.db2.gz QMLNGBPKBHKELV-KSWWWXSASA-N 0 1 415.877 2.494 40 0 HEABMN Cc1ccc(C2(CNC(=O)C[C@@H]3C(=O)NCCN3C3CCCC3)CCOCC2)cc1 ZINC000019208658 558847750 /nfs/dbraw/zinc/84/77/50/558847750.db2.gz IONCGSMCOMBKEW-OAQYLSRUSA-N 0 1 413.562 2.293 40 0 HEABMN O=C(c1cn[nH]c1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCCC1 ZINC000019335088 558869741 /nfs/dbraw/zinc/86/97/41/558869741.db2.gz URYHQRYBHISZJX-UHFFFAOYSA-N 0 1 406.483 2.353 40 0 HEABMN CC(C)N1CCN(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)CC1 ZINC000019447991 558886777 /nfs/dbraw/zinc/88/67/77/558886777.db2.gz JWGFZVYJCANWRW-RBUKOAKNSA-N 0 1 417.554 2.413 40 0 HEABMN CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4cnn(CC)c4)C3)[nH]c(=O)c2C1 ZINC000019501602 558899722 /nfs/dbraw/zinc/89/97/22/558899722.db2.gz FOBIOOBIKIRSPW-QGZVFWFLSA-N 0 1 412.538 2.051 40 0 HEABMN CN(C)C(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019579248 558934946 /nfs/dbraw/zinc/93/49/46/558934946.db2.gz LMDSYUZIFSKLTR-QHCPKHFHSA-N 0 1 418.501 2.420 40 0 HEABMN Cc1nc(C2CCN(Cc3cnc(N(C)C)nc3)CC2)nc(N2CCOCC2)c1C ZINC000072337254 558937583 /nfs/dbraw/zinc/93/75/83/558937583.db2.gz WNZNILROLOOGHV-UHFFFAOYSA-N 0 1 411.554 2.166 40 0 HEABMN COC(=O)[C@@]1(CCN2CCOCC2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 ZINC000072340195 558938928 /nfs/dbraw/zinc/93/89/28/558938928.db2.gz PLUCSWSEINOFSF-XQBPLPMBSA-N 0 1 404.482 2.013 40 0 HEABMN O=C(C[C@H]1NC(=O)c2ccccc21)N1CCC[C@@H](c2[nH]ncc2C(=O)N2CCCC2)C1 ZINC000072344748 558941185 /nfs/dbraw/zinc/94/11/85/558941185.db2.gz OIZSZVVWJJMEGI-DNVCBOLYSA-N 0 1 421.501 2.227 40 0 HEABMN O=S(=O)(c1cn[nH]c1)N1CCN(Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355245 558952613 /nfs/dbraw/zinc/95/26/13/558952613.db2.gz VSXZSNHDKYUTRZ-LJQANCHMSA-N 0 1 411.531 2.170 40 0 HEABMN COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4ccc(=O)n(C)c4)C3)n[nH]2)cc1 ZINC000072371648 558958822 /nfs/dbraw/zinc/95/88/22/558958822.db2.gz DLEDNUZSPXFRRU-MRXNPFEDSA-N 0 1 422.485 2.368 40 0 HEABMN Cn1cnc(S(=O)(=O)N2CC[C@@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)c1 ZINC000072371764 558958981 /nfs/dbraw/zinc/95/89/81/558958981.db2.gz QIOITKLSWXVFNF-CQSZACIVSA-N 0 1 419.482 2.082 40 0 HEABMN C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(Nc3ncccn3)cn2)CC1 ZINC000072374244 558961773 /nfs/dbraw/zinc/96/17/73/558961773.db2.gz QTIZHPWQQGASKN-KRWDZBQOSA-N 0 1 410.522 2.290 40 0 HEABMN COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2ccn[nH]2)CCO1 ZINC000019695775 558964079 /nfs/dbraw/zinc/96/40/79/558964079.db2.gz NPVKWPIRECMZMB-OAHLLOKOSA-N 0 1 414.487 2.214 40 0 HEABMN COc1ccccc1S(=O)(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2)n1 ZINC000019709871 558971753 /nfs/dbraw/zinc/97/17/53/558971753.db2.gz DUHVMPMLJZFEKS-INIZCTEOSA-N 0 1 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HEABMN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4nccs4)C[C@H]2C3)cc1 ZINC000306124429 568887470 /nfs/dbraw/zinc/88/74/70/568887470.db2.gz BPNFUMXSYZETSI-ZIAGYGMSSA-N 0 1 410.503 2.300 40 0 HEABMN O=C([N-][C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000575421063 569025749 /nfs/dbraw/zinc/02/57/49/569025749.db2.gz MUOBQWGFPQIWDU-MNOVXSKESA-N 0 1 420.145 2.082 40 0 HEABMN COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1Cl ZINC000006362098 569331722 /nfs/dbraw/zinc/33/17/22/569331722.db2.gz VQBLUUVLHOHNFZ-UHFFFAOYSA-N 0 1 413.835 2.479 40 0 HEABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2)n1 ZINC000013043424 569408108 /nfs/dbraw/zinc/40/81/08/569408108.db2.gz XDOKJIOIPZURBB-DACLVMHWSA-N 0 1 424.482 2.206 40 0 HEABMN COCCNC(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297638 291206525 /nfs/dbraw/zinc/20/65/25/291206525.db2.gz QXDLEPQGMNBOSM-HQRMLTQVSA-N 0 1 415.563 2.043 40 0 biogenic,in-vitro HEABMN Fc1cccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NCc3ccccn3)n2)c1 ZINC000067902090 291211367 /nfs/dbraw/zinc/21/13/67/291211367.db2.gz BYBSUGXGPWTBGE-UWHLTILDSA-N 0 1 407.449 2.414 40 0 biogenic,in-vitro HEABMN COc1cc2cc3[nH]cc(S(=O)(=O)Nc4ccc5c(c4)OCO5)n3c2cc1OC ZINC000032611944 523020267 /nfs/dbraw/zinc/02/02/67/523020267.db2.gz IMQWXMXCVCHSID-UHFFFAOYSA-N 0 1 415.427 2.323 40 0 HEABMN COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)c4ccn[nH]4)C3)nc2C)c1 ZINC000019753828 558273157 /nfs/dbraw/zinc/27/31/57/558273157.db2.gz TZDLTIZFZQTCAJ-INIZCTEOSA-N 0 1 420.473 2.076 40 0 HEABMN CN1CCN(/C(=C/n2ccccc2=O)OC(=O)c2ccc(Br)cc2)CC1 ZINC000022078647 558462783 /nfs/dbraw/zinc/46/27/83/558462783.db2.gz CATDVCALWVDTPK-JXAWBTAJSA-N 0 1 418.291 2.471 40 0 HEABMN O=C(c1cn[nH]c1C1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCc2ccccc2C1 ZINC000019375328 558881451 /nfs/dbraw/zinc/88/14/51/558881451.db2.gz ONXIZRVGCBOEAJ-HXUWFJFHSA-N 0 1 408.502 2.493 40 0 HEABMN Cc1cc(=O)n2[n-]cc(C(=O)N3CC[N@@H+](Cc4ccccc4F)C[C@@H]3C(C)C)c2n1 ZINC000072324126 558933152 /nfs/dbraw/zinc/93/31/52/558933152.db2.gz LSHPZCZDMAEXLW-LJQANCHMSA-N 0 1 411.481 2.453 40 0 HEABMN Cc1cc(=O)n2[n-]cc(C(=O)N3CC[N@H+](Cc4ccccc4F)C[C@@H]3C(C)C)c2n1 ZINC000072324126 558933155 /nfs/dbraw/zinc/93/31/55/558933155.db2.gz LSHPZCZDMAEXLW-LJQANCHMSA-N 0 1 411.481 2.453 40 0 HEABMN O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCC[C@H](c2[nH]ncc2C(=O)N2CCCC2)C1 ZINC000072344745 558941194 /nfs/dbraw/zinc/94/11/94/558941194.db2.gz OIZSZVVWJJMEGI-KXBFYZLASA-N 0 1 421.501 2.227 40 0 HEABMN COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nc(-c3ccccn3)[n-]c(=O)c2CC1 ZINC000019595008 558945874 /nfs/dbraw/zinc/94/58/74/558945874.db2.gz VKNSFGWPKVJIAZ-UHFFFAOYSA-N 0 1 422.485 2.459 40 0 HEABMN COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nc(-c3ccccn3)[n-]c(=O)c2CC1 ZINC000019595008 558945875 /nfs/dbraw/zinc/94/58/75/558945875.db2.gz VKNSFGWPKVJIAZ-UHFFFAOYSA-N 0 1 422.485 2.459 40 0 HEABMN Cc1nn([C@@H](C)C(=O)N2CCC(CCN3CCOCC3)CC2)c(=O)c2ccccc12 ZINC000019656631 558949452 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2.204 40 0 HEABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(I)o1 ZINC000008477170 560562124 /nfs/dbraw/zinc/56/21/24/560562124.db2.gz SMVLGHPQKVSVRQ-JXMROGBWSA-N 0 1 400.172 2.289 40 0 HEABMN CCN1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019527972 560874719 /nfs/dbraw/zinc/87/47/19/560874719.db2.gz NTFYQEIIVVNAQM-IBGZPJMESA-N 0 1 409.538 2.305 40 0 HEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCN2c3ccccc3C[C@@H]2C)s1 ZINC000223112000 568537913 /nfs/dbraw/zinc/53/79/13/568537913.db2.gz QLYCJIODPPWCDZ-ZDUSSCGKSA-N 0 1 423.564 2.252 40 0 HEABMN COc1cc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)c(C(C)=O)cc1OC ZINC000223322251 568545230 /nfs/dbraw/zinc/54/52/30/568545230.db2.gz KXVSWXLPNYDQKA-UHFFFAOYSA-N 0 1 406.416 2.450 40 0 HEABMN C[NH+]1CCC(Oc2ccc([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000223672683 568555743 /nfs/dbraw/zinc/55/57/43/568555743.db2.gz OEZGWWIQEZOGAA-UHFFFAOYSA-N 0 1 424.544 2.364 40 0 HEABMN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000223793234 568559382 /nfs/dbraw/zinc/55/93/82/568559382.db2.gz NDSCPJNNPDFEHK-UHFFFAOYSA-N 0 1 424.500 2.059 40 0 HEABMN COc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000224144684 568571506 /nfs/dbraw/zinc/57/15/06/568571506.db2.gz SYOZGMMWZOTUJY-UHFFFAOYSA-N 0 1 412.537 2.442 40 0 HEABMN O=C(Nc1nnc(S(=O)(=O)NCc2ccncc2)s1)c1ccc(Cl)cc1 ZINC000224644062 568590220 /nfs/dbraw/zinc/59/02/20/568590220.db2.gz AXZFCHWHYKRZJW-UHFFFAOYSA-N 0 1 409.880 2.317 40 0 HEABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCOc3ccccc3)s2)c1 ZINC000225105451 568614791 /nfs/dbraw/zinc/61/47/91/568614791.db2.gz WMZNHFJEVRTAHO-UHFFFAOYSA-N 0 1 418.500 2.456 40 0 HEABMN Cc1cccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 ZINC000225125169 568615880 /nfs/dbraw/zinc/61/58/80/568615880.db2.gz OHYBDVQZVHDEJA-UHFFFAOYSA-N 0 1 418.500 2.456 40 0 HEABMN CCCc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000225197313 568622041 /nfs/dbraw/zinc/62/20/41/568622041.db2.gz ONPILYMIMGHJRZ-UHFFFAOYSA-N 0 1 412.537 2.442 40 0 HEABMN 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568886118 /nfs/dbraw/zinc/88/61/18/568886118.db2.gz ACWVAYMRIVOQMH-VWNXMTODSA-N 0 1 415.497 2.269 40 0 HEABMN COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3ccccn3)CC2)C1 ZINC000306123063 568886289 /nfs/dbraw/zinc/88/62/89/568886289.db2.gz ADSXIEZZBWGKKL-UHFFFAOYSA-N 0 1 419.489 2.308 40 0 HEABMN O=C1N(Cc2cccnc2)CCO[C@@]12CN(Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306123270 568886654 /nfs/dbraw/zinc/88/66/54/568886654.db2.gz AIVPHBAWXUAIHW-LADGPHEKSA-N 0 1 415.497 2.269 40 0 HEABMN O=C1N(Cc2cccnc2)CCO[C@@]12CN(Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306123269 568886664 /nfs/dbraw/zinc/88/66/64/568886664.db2.gz AIVPHBAWXUAIHW-ISKFKSNPSA-N 0 1 415.497 2.269 40 0 HEABMN Cc1nc(C)c(CN2CCOC[C@]3(CC[C@H](CNC(=O)c4cccnc4)O3)C2)s1 ZINC000306124563 568887703 /nfs/dbraw/zinc/88/77/03/568887703.db2.gz BTPXMZVFIMXXJX-NQIIRXRSSA-N 0 1 416.547 2.335 40 0 HEABMN O=C(c1ccsc1)N1CCN(C2=NO[C@@H]3CCN(Cc4ccco4)C[C@@H]23)CC1 ZINC000306126657 568889596 /nfs/dbraw/zinc/88/95/96/568889596.db2.gz FBEQLFAISQOJGI-QZTJIDSGSA-N 0 1 400.504 2.333 40 0 HEABMN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(N)cc(N)n1)CCCC2 ZINC000003605668 568919463 /nfs/dbraw/zinc/91/94/63/568919463.db2.gz BHDZIZBSMJDBQM-UHFFFAOYSA-N 0 1 407.521 2.489 40 0 HEABMN COC(=O)[C@@H]1C[C@H](N2CCN(Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC000575436308 569027475 /nfs/dbraw/zinc/02/74/75/569027475.db2.gz FDPUGCGRNSWTBL-OALUTQOASA-N 0 1 403.523 2.355 40 0 HEABMN CCOc1ccccc1NC(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000224331979 569058596 /nfs/dbraw/zinc/05/85/96/569058596.db2.gz VCBNAXHFIRNYLG-UHFFFAOYSA-N 0 1 412.494 2.066 40 0 HEABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCN(C=O)CC2)ccc1Cl ZINC000010112078 569342902 /nfs/dbraw/zinc/34/29/02/569342902.db2.gz KJRIJHQMDUZAJR-UHFFFAOYSA-N 0 1 421.906 2.363 40 0 HEABMN COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)[C@@H]4C[C@@H]4C)C3)[nH]c(=O)c2C1 ZINC000019462760 569345566 /nfs/dbraw/zinc/34/55/66/569345566.db2.gz UBJARVAUGANOPS-CGTJXYLNSA-N 0 1 422.529 2.309 40 0 HEABMN Cn1nccc1CN1CC[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019702746 569347507 /nfs/dbraw/zinc/34/75/07/569347507.db2.gz BLEHVOKLPKSDCB-HNNXBMFYSA-N 0 1 411.531 2.492 40 0 HEABMN CNC(=O)c1cnc([C@H]2CCN(C(=O)c3cc(-c4cccc(OC)c4)[nH]n3)C2)nc1C ZINC000019757535 569348811 /nfs/dbraw/zinc/34/88/11/569348811.db2.gz PPSOFMQSVAMSRY-HNNXBMFYSA-N 0 1 420.473 2.173 40 0 HEABMN CN1[C@@H]2CCN(Cc3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCCC1 ZINC000035442384 291205527 /nfs/dbraw/zinc/20/55/27/291205527.db2.gz ZZXCDWXLSICIAX-ZVDOUQERSA-N 0 1 418.969 2.116 40 0 biogenic,in-vitro HEABMN COCCNc1cc(-c2noc([C@@H]3CCC[N@H+]3C3CCN(C(C)=O)CC3)n2)ccn1 ZINC000035424540 291206511 /nfs/dbraw/zinc/20/65/11/291206511.db2.gz ZFHAIHNYLWLIFJ-SFHVURJKSA-N 0 1 414.510 2.338 40 0 biogenic,in-vitro HEABMN COCCNc1cc(-c2noc([C@@H]3CCCN3C3CCN(C(C)=O)CC3)n2)ccn1 ZINC000035424540 291206515 /nfs/dbraw/zinc/20/65/15/291206515.db2.gz ZFHAIHNYLWLIFJ-SFHVURJKSA-N 0 1 414.510 2.338 40 0 biogenic,in-vitro HEABMN Cc1cccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1cnc(N3CCOCC3)nc1)C2 ZINC000012135238 132354742 /nfs/dbraw/zinc/35/47/42/132354742.db2.gz WKUNVVSDRZZSRZ-DETIRCLXSA-N 0 1 409.534 2.136 40 0 HEABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375183 557530915 /nfs/dbraw/zinc/53/09/15/557530915.db2.gz NVVBORDBMCXQLB-AYQNDCLTSA-N 0 1 405.495 2.098 40 0 HEABMN CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc(C(F)(F)F)c2c(N)[nH]nc2n1 ZINC000019742555 558263069 /nfs/dbraw/zinc/26/30/69/558263069.db2.gz RLUCXHAWWZTLOM-NSHDSACASA-N 0 1 406.434 2.282 40 0 HEABMN COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(Cc4cnn(C)c4)C3)nc2C)c1 ZINC000019753830 558273106 /nfs/dbraw/zinc/27/31/06/558273106.db2.gz SUIACDBANOTBHC-LJQANCHMSA-N 0 1 420.517 2.447 40 0 HEABMN Cc1nc(C2CCN(C(=O)CN(C)C)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019763899 558277648 /nfs/dbraw/zinc/27/76/48/558277648.db2.gz FGFOIIIQWZSQSL-UHFFFAOYSA-N 0 1 413.497 2.122 40 0 HEABMN CC[N@H+]1CCC[C@H]1CNC(=O)c1c([O-])c(I)ccc1OC ZINC000022061339 558460783 /nfs/dbraw/zinc/46/07/83/558460783.db2.gz CANPFCFJURGKAX-JTQLQIEISA-N 0 1 404.248 2.220 40 0 in-man HEABMN Cc1c2c(cc(=O)n1CCC[NH+]1CCOCC1)[n-]n(-c1ccc(Cl)cc1)c2=O ZINC000059707491 558938312 /nfs/dbraw/zinc/93/83/12/558938312.db2.gz PKAPEJRTUINHMD-UHFFFAOYSA-N 0 1 402.882 2.165 40 0 HEABMN COc1ccccc1OCCc1cc([C@@H]2CCN(C(=O)Cn3nc(C)nc3C)C2)n[nH]1 ZINC000072371622 558958717 /nfs/dbraw/zinc/95/87/17/558958717.db2.gz HCNQHGQAQPWHRJ-QGZVFWFLSA-N 0 1 424.505 2.264 40 0 HEABMN Cn1cnc(S(=O)(=O)N2CC[C@@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)c1 ZINC000072371762 558959171 /nfs/dbraw/zinc/95/91/71/558959171.db2.gz WFDRUHXDIQKVQY-CQSZACIVSA-N 0 1 419.482 2.082 40 0 HEABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000019708712 558970995 /nfs/dbraw/zinc/97/09/95/558970995.db2.gz ACEMXKJWBCQOJY-OAHLLOKOSA-N 0 1 401.536 2.075 40 0 HEABMN CN(C)CC(=O)N1CCC[C@@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 ZINC000585179642 559069746 /nfs/dbraw/zinc/06/97/46/559069746.db2.gz ZFFHSGKJBCIASZ-HXUWFJFHSA-N 0 1 403.552 2.022 40 0 HEABMN COC1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2ccccc2)CC1 ZINC000585262353 559110917 /nfs/dbraw/zinc/11/09/17/559110917.db2.gz VPCYUKQRBLLUJK-LUKWVAJMSA-N 0 1 410.514 2.477 40 0 HEABMN COCC(=O)N1CC[N@H+](C2CCCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585281991 559119719 /nfs/dbraw/zinc/11/97/19/559119719.db2.gz DVUNPODYFXIOAS-OAQYLSRUSA-N 0 1 412.477 2.198 40 0 HEABMN Nc1cc(N)nc(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000004938262 560615912 /nfs/dbraw/zinc/61/59/12/560615912.db2.gz MKCKMFXUTZIXNG-UHFFFAOYSA-N 0 1 412.441 2.101 40 0 HEABMN CN1C(=O)N/C(=C/c2cc(Br)c(O)c(I)c2)C1=O ZINC000409193767 560689902 /nfs/dbraw/zinc/68/99/02/560689902.db2.gz LOCQMYMODBTCSC-XBXARRHUSA-N 0 1 423.004 2.282 40 0 HEABMN Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccn3)CC1)=N[C@H]2[C@@H]1CC=CCC1 ZINC000009289594 560757819 /nfs/dbraw/zinc/75/78/19/560757819.db2.gz JHDOQOYMUPSVDJ-YLJYHZDGSA-N 0 1 405.506 2.405 40 0 HEABMN O=C(Nc1nnc(S(=O)(=O)NCCCOC2CCCC2)s1)c1ccccc1 ZINC000222748819 568525487 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NQWQCONMCQTTJS-FGZHOGPDSA-N 0 1 424.497 2.255 40 0 HEABMN Cc1nc([C@@]2(C)CCCN(C(=O)c3[nH]nc4ccccc43)C2)nc2c1CC(=O)N2C ZINC000257299416 568804172 /nfs/dbraw/zinc/80/41/72/568804172.db2.gz RPZVJVUCNLFFJZ-QFIPXVFZSA-N 0 1 404.474 2.374 40 0 HEABMN Cc1nn(C(F)F)cc1S(=O)(=O)N1CC[C@@H](c2[nH]ncc2-c2ccnc(N)c2)C1 ZINC000257319549 568810289 /nfs/dbraw/zinc/81/02/89/568810289.db2.gz VSZGHNVRFGDVJM-GFCCVEGCSA-N 0 1 423.449 2.132 40 0 HEABMN Cc1nc(C)c(CN2CCOC[C@]3(CC[C@@H](CNC(=O)c4cccnc4)O3)C2)s1 ZINC000306124564 568887662 /nfs/dbraw/zinc/88/76/62/568887662.db2.gz BTPXMZVFIMXXJX-RXVVDRJESA-N 0 1 416.547 2.335 40 0 HEABMN CN1CCN(Cc2ccccc2)C[C@H]1c1nnc2ccc(C(=O)N3CCCC3)cn21 ZINC000306143711 568905206 /nfs/dbraw/zinc/90/52/06/568905206.db2.gz YKCYLQGNZHABIU-FQEVSTJZSA-N 0 1 404.518 2.454 40 0 HEABMN CN1C[C@H](C(=O)NCc2ccc(F)cc2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306144661 568906161 /nfs/dbraw/zinc/90/61/61/568906161.db2.gz ZLKATQAKCHGKLR-LJQANCHMSA-N 0 1 415.465 2.041 40 0 HEABMN O=C(CNCc1ccc2c(c1)OCO2)N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000035311410 569031078 /nfs/dbraw/zinc/03/10/78/569031078.db2.gz PQXRGCGRRTVAPI-UHFFFAOYSA-N 0 1 413.449 2.065 40 0 HEABMN O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000224328848 569057413 /nfs/dbraw/zinc/05/74/13/569057413.db2.gz ALIIPWZZMPMWGX-UHFFFAOYSA-N 0 1 421.423 2.294 40 0 HEABMN CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(Cc2ccnc(N3CCCC3)n2)C1 ZINC000019739197 569348708 /nfs/dbraw/zinc/34/87/08/569348708.db2.gz PZYMHAABEMWQAQ-JOCHJYFZSA-N 0 1 412.538 2.369 40 0 HEABMN O=C(NC1CCCCC1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008299807 291211856 /nfs/dbraw/zinc/21/18/56/291211856.db2.gz RWEKICNBCQQMDO-UHOSZYNNSA-N 0 1 401.555 2.199 40 0 biogenic,in-vitro HEABMN O=C(Nc1nccs1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 ZINC000008298416 291212571 /nfs/dbraw/zinc/21/25/71/291212571.db2.gz JUCXYDQCHCXUKP-XHSDSOJGSA-N 0 1 416.551 2.235 40 0 biogenic,in-vitro HEABMN Cn1c2ccc(S(=O)(=O)NCCCN3CCc4ccccc4C3)cc2sc1=O ZINC000225682707 527104175 /nfs/dbraw/zinc/10/41/75/527104175.db2.gz UIVYQUZFEUQXHS-UHFFFAOYSA-N 0 1 417.556 2.327 40 0 HEABMN Cn1c2cc(NC(=O)CCc3ccccc3)c(N3CCN(C)CC3)cc2n(C)c1=O ZINC000408526451 557288117 /nfs/dbraw/zinc/28/81/17/557288117.db2.gz BJUJPRWNDCQWBH-UHFFFAOYSA-N 0 1 407.518 2.200 40 0 HEABMN COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)ccc1C ZINC000408626258 557558778 /nfs/dbraw/zinc/55/87/78/557558778.db2.gz VLQQARCINRZZKK-UHFFFAOYSA-N 0 1 408.476 2.189 40 0 HEABMN COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000020047059 558327747 /nfs/dbraw/zinc/32/77/47/558327747.db2.gz WHPKLORKWKNOFE-UHFFFAOYSA-N 0 1 416.496 2.463 40 0 HEABMN COC(=O)c1ccc(CS(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000030874052 558743849 /nfs/dbraw/zinc/74/38/49/558743849.db2.gz FCPKNNRDANIQOY-UHFFFAOYSA-N 0 1 423.443 2.219 40 0 HEABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2CCSC)C(=O)Nc2ccc(F)cc21 ZINC000035375177 558790676 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COCc1nc(-n2ccc3nc4nc(C)nn4c(-c4ccc(Cl)cc4)c3c2=O)n[nH]1 ZINC000040372856 523163961 /nfs/dbraw/zinc/16/39/61/523163961.db2.gz YEEQKKOKNQWNQZ-UHFFFAOYSA-N 0 1 422.836 2.322 40 0 HEABMN COCc1nnc(-n2ccc3nc4nc(C)nn4c(-c4ccc(Cl)cc4)c3c2=O)[nH]1 ZINC000040372856 523163970 /nfs/dbraw/zinc/16/39/70/523163970.db2.gz YEEQKKOKNQWNQZ-UHFFFAOYSA-N 0 1 422.836 2.322 40 0 HEABMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1nc2cc(C)nc(C)n2n1 ZINC000004558130 557568071 /nfs/dbraw/zinc/56/80/71/557568071.db2.gz REOUCWWUZMDXKC-WMZOPIPTSA-N 0 1 412.519 2.046 40 0 HEABMN O[C@H](c1nc2cc(Cl)ccc2[nH]1)[C@@H](O)[C@H](O)[C@H](O)c1nc2ccc(Cl)cc2[nH]1 ZINC000008627328 557797586 /nfs/dbraw/zinc/79/75/86/557797586.db2.gz VRQXLMDQURXILG-VGWMRTNUSA-N 0 1 423.256 2.235 40 0 HEABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 ZINC000010008979 557853258 /nfs/dbraw/zinc/85/32/58/557853258.db2.gz UYCGWQIGTVNZIN-UHFFFAOYSA-N 0 1 406.460 2.421 40 0 HEABMN O=C(CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)N1CCN2CCCC[C@@H]2C1 ZINC000019748811 558268007 /nfs/dbraw/zinc/26/80/07/558268007.db2.gz DPJHPHVFGMMUNJ-LJQANCHMSA-N 0 1 423.554 2.313 40 0 HEABMN C[C@@H]1CCCCN1CC(=O)N1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)COCCC(=O)N2 ZINC000019496349 558895249 /nfs/dbraw/zinc/89/52/49/558895249.db2.gz VQTNMUYOTUFSPR-ZWWNWMABSA-N 0 1 421.488 2.040 40 0 HEABMN COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2C(=O)c2ccn[nH]2)nc1C ZINC000072345395 558941837 /nfs/dbraw/zinc/94/18/37/558941837.db2.gz UQTMJIDBJBGCKZ-SFHVURJKSA-N 0 1 420.473 2.424 40 0 HEABMN COCc1cc(=O)[nH]c([C@H]2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)n1 ZINC000019594302 558945138 /nfs/dbraw/zinc/94/51/38/558945138.db2.gz JYDDPNDWQPJCEJ-HNNXBMFYSA-N 0 1 403.479 2.322 40 0 HEABMN CS(=O)(=O)N1C[C@@H](C(=O)Nc2n[nH]c(CC3CCCCC3)n2)Oc2ccccc21 ZINC000019666080 558956018 /nfs/dbraw/zinc/95/60/18/558956018.db2.gz BCNPJIVOLVKYMF-INIZCTEOSA-N 0 1 419.507 2.093 40 0 HEABMN CS(=O)(=O)N1C[C@@H](C(=O)Nc2nc(CC3CCCCC3)n[nH]2)Oc2ccccc21 ZINC000019666080 558956019 /nfs/dbraw/zinc/95/60/19/558956019.db2.gz BCNPJIVOLVKYMF-INIZCTEOSA-N 0 1 419.507 2.093 40 0 HEABMN CN(C)Cc1cc(N(C)C)nc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)n1 ZINC000072370070 558956361 /nfs/dbraw/zinc/95/63/61/558956361.db2.gz LZZKYLGPJAGGQD-QGZVFWFLSA-N 0 1 411.506 2.353 40 0 HEABMN COc1ccccc1S(=O)(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2)n1 ZINC000019709872 558971656 /nfs/dbraw/zinc/97/16/56/558971656.db2.gz DUHVMPMLJZFEKS-MRXNPFEDSA-N 0 1 419.551 2.187 40 0 HEABMN O=C(CNC1=NS(=O)(=O)c2ccccc21)NC1(CN2CCCCC2)CCCCC1 ZINC000019717677 558980519 /nfs/dbraw/zinc/98/05/19/558980519.db2.gz FVEOSKLRIMECKN-UHFFFAOYSA-N 0 1 418.563 2.030 40 0 HEABMN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000257255144 558994733 /nfs/dbraw/zinc/99/47/33/558994733.db2.gz KGHYGFVOYMMORH-BZUAXINKSA-N 0 1 405.520 2.452 40 0 HEABMN CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000113943696 559182592 /nfs/dbraw/zinc/18/25/92/559182592.db2.gz LIOXTYFENUUTDL-UHFFFAOYSA-N 0 1 402.520 2.452 40 0 HEABMN C[C@@H]1CN(C(=O)c2cn[nH]c2[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)C[C@@H](C)O1 ZINC000409412805 560723115 /nfs/dbraw/zinc/72/31/15/560723115.db2.gz JDFHYXHPLZVVHQ-BFYDXBDKSA-N 0 1 414.481 2.357 40 0 HEABMN CC(=O)Nc1cccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)c1 ZINC000013585822 560817072 /nfs/dbraw/zinc/81/70/72/560817072.db2.gz POUZCAYCWVMWHI-UHFFFAOYSA-N 0 1 419.484 2.484 40 0 HEABMN COC(=O)c1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)ccc1Cl ZINC000223670441 568555585 /nfs/dbraw/zinc/55/55/85/568555585.db2.gz JHQHQXGVGGJSOG-UHFFFAOYSA-N 0 1 403.865 2.331 40 0 HEABMN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224318683 568577719 /nfs/dbraw/zinc/57/77/19/568577719.db2.gz UZILUGHYMSWXKD-UHFFFAOYSA-N 0 1 421.423 2.294 40 0 HEABMN CC(=O)N[C@H]1CC[C@](CNC(=O)c2[nH]nc3c2CCC3)(c2ccccc2)CC[C@@H]1O ZINC000257228173 568784235 /nfs/dbraw/zinc/78/42/35/568784235.db2.gz FSQRWZFTIMWECH-JTAQYXEDSA-N 0 1 410.518 2.006 40 0 HEABMN CNC(=O)c1sc2nc([C@]3(C)CCCN(C(=O)CN4CCCC4)C3)ccc2c1N ZINC000257258326 568792501 /nfs/dbraw/zinc/79/25/01/568792501.db2.gz KTIJSOAPMJAKSH-OAQYLSRUSA-N 0 1 415.563 2.214 40 0 HEABMN CC(=O)N1CCN([C@@H]2CCCC[C@@H](NC(=O)c3cc(C(C)C)ccc3O)[C@H]2O)CC1 ZINC000257263579 568793823 /nfs/dbraw/zinc/79/38/23/568793823.db2.gz LQQKTIWITGLPNG-KCZVDYSFSA-N 0 1 417.550 2.082 40 0 HEABMN O=C(c1ccn[nH]1)N1CC[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000257280404 568798533 /nfs/dbraw/zinc/79/85/33/568798533.db2.gz OKRNHFNVUMUUFM-ZDUSSCGKSA-N 0 1 411.487 2.122 40 0 HEABMN O=C(c1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1)N1CCCC1 ZINC000257332217 568813806 /nfs/dbraw/zinc/81/38/06/568813806.db2.gz XWGWDTUKNYFKOW-ZDUSSCGKSA-N 0 1 424.473 2.492 40 0 HEABMN Cc1nc(C)c(CN2CCOC[C@@]3(CC[C@@H](CNC(=O)c4cccnc4)O3)C2)s1 ZINC000306124562 568887745 /nfs/dbraw/zinc/88/77/45/568887745.db2.gz BTPXMZVFIMXXJX-GHTZIAJQSA-N 0 1 416.547 2.335 40 0 HEABMN CCOc1ccc(CCC(=O)N2CCC3(C[C@H](CN4CCN(C)CC4)O3)CC2)cc1 ZINC000306144955 568906235 /nfs/dbraw/zinc/90/62/35/568906235.db2.gz ZTEOBYKCOLLUNQ-JOCHJYFZSA-N 0 1 415.578 2.415 40 0 HEABMN COC(=O)c1ccc(NS(=O)(=O)c2cc3cccc4c3c(c2)C(=O)NC4=O)cc1 ZINC000006088455 568998767 /nfs/dbraw/zinc/99/87/67/568998767.db2.gz DUAVIWFMKQPUJM-UHFFFAOYSA-N 0 1 410.407 2.311 40 0 HEABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022186 569026116 /nfs/dbraw/zinc/02/61/16/569026116.db2.gz NVVBORDBMCXQLB-PGHPUMOWSA-N 0 1 405.495 2.098 40 0 HEABMN CC(=O)N1CC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N2CCCN(C)CC2)C1 ZINC000019703563 569347564 /nfs/dbraw/zinc/34/75/64/569347564.db2.gz SYWDLHQQVQUTFQ-HSZRJFAPSA-N 0 1 410.518 2.287 40 0 HEABMN COc1ccccc1CNc1n[nH]c2nc([C@H]3CCN(C(=O)CN(C)C)C3)ccc12 ZINC000019705141 569347866 /nfs/dbraw/zinc/34/78/66/569347866.db2.gz YJBVSJNGLLKRHQ-INIZCTEOSA-N 0 1 408.506 2.456 40 0 HEABMN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccc4)CC3)ccc21 ZINC000019572485 132468028 /nfs/dbraw/zinc/46/80/28/132468028.db2.gz UISUGWFTWGWSLE-QFIPXVFZSA-N 0 1 415.559 2.254 40 0 HEABMN COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)c4ccn[nH]4)C3)nc2C)cc1 ZINC000019766168 524650629 /nfs/dbraw/zinc/65/06/29/524650629.db2.gz NBOYQUDWGGVUAM-AWEZNQCLSA-N 0 1 406.446 2.399 40 0 HEABMN COc1ccc(OCCc2cc([C@H]3CCN(C(=O)Cn4nc(C)nc4C)C3)n[nH]2)cc1 ZINC000072371623 524965657 /nfs/dbraw/zinc/96/56/57/524965657.db2.gz NVNMGKGWNJMDJF-KRWDZBQOSA-N 0 1 424.505 2.264 40 0 HEABMN O=C(NCc1ccccc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253950 557778291 /nfs/dbraw/zinc/77/82/91/557778291.db2.gz RLUAFRWYEWQXAV-AQNXPRMDSA-N 0 1 402.502 2.367 40 0 biogenic,in-vitro HEABMN CCCCc1ncc(CN2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)cn1 ZINC000012125249 558331310 /nfs/dbraw/zinc/33/13/10/558331310.db2.gz DUFQWLJGLWDGFR-AQOAWAETSA-N 0 1 413.522 2.356 40 0 HEABMN Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CCNc3ncnc4[nH]cnc43)CC1)O2 ZINC000019218175 558851011 /nfs/dbraw/zinc/85/10/11/558851011.db2.gz SZDUWRPVGVMGJA-UHFFFAOYSA-N 0 1 420.473 2.490 40 0 HEABMN CC(C)NC(=O)CN1CC2(CCC(N3CCOCC3)CC2)Oc2ccccc2C1=O ZINC000019449906 558888422 /nfs/dbraw/zinc/88/84/22/558888422.db2.gz NIIJBIZITCHTJZ-UHFFFAOYSA-N 0 1 415.534 2.059 40 0 HEABMN Cc1nc([C@@H]2CCCN(C(=O)CN(C)C)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345541 558942088 /nfs/dbraw/zinc/94/20/88/558942088.db2.gz SVNQMPBHUWFRCV-QGZVFWFLSA-N 0 1 413.497 2.122 40 0 HEABMN COCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019592800 558943638 /nfs/dbraw/zinc/94/36/38/558943638.db2.gz BEHGAKWERTVKKC-CQSZACIVSA-N 0 1 402.520 2.154 40 0 HEABMN CC(C)Nc1[nH]nc2nc([C@H]3CCCN3C(=O)COCCN3CCCC3=O)ccc21 ZINC000072374544 558962156 /nfs/dbraw/zinc/96/21/56/558962156.db2.gz GXAQRZZUZNBZFZ-QGZVFWFLSA-N 0 1 414.510 2.081 40 0 HEABMN O=C(CN1CCOCC1)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 ZINC000072378339 558967471 /nfs/dbraw/zinc/96/74/71/558967471.db2.gz FBBKQITTYLKHSB-FQEVSTJZSA-N 0 1 402.470 2.166 40 0 HEABMN O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 ZINC000072380670 558968765 /nfs/dbraw/zinc/96/87/65/558968765.db2.gz AGPCQNIUULLOJI-LJQANCHMSA-N 0 1 400.454 2.318 40 0 HEABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(C(=O)Cc1ccc(OC)cc1)C2 ZINC000019707200 558969521 /nfs/dbraw/zinc/96/95/21/558969521.db2.gz WMCKHWUZPNCVJH-QGZVFWFLSA-N 0 1 409.534 2.464 40 0 HEABMN CN(Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccn1)CC2 ZINC000585104612 559027187 /nfs/dbraw/zinc/02/71/87/559027187.db2.gz RMMVJVQDYYWDHM-IBGZPJMESA-N 0 1 416.547 2.168 40 0 HEABMN O=C(CCc1ccccc1)N1CC[C@](O)(CNCc2ccccc2Cl)[C@@H](O)C1 ZINC000585285207 559121573 /nfs/dbraw/zinc/12/15/73/559121573.db2.gz PGPHUGWGLOTCCV-UNMCSNQZSA-N 0 1 402.922 2.387 40 0 HEABMN CC(C)C(=O)N1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C1CCOCC1)CC3 ZINC000100234195 559132735 /nfs/dbraw/zinc/13/27/35/559132735.db2.gz VKXNSQVCAWYJFI-IBGZPJMESA-N 0 1 413.522 2.292 40 0 HEABMN O=C(Cc1cccnc1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 ZINC000257280413 559285401 /nfs/dbraw/zinc/28/54/01/559285401.db2.gz OKTBQRXRBHTHIM-VDKIKQQVSA-N 0 1 423.557 2.314 40 0 HEABMN O=C(OC1C(=O)N(c2cccnc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409301962 560708045 /nfs/dbraw/zinc/70/80/45/560708045.db2.gz DQFDPWDUQLLEBU-RTBURBONSA-N 0 1 416.389 2.406 40 0 HEABMN O=C(O[C@H]1C(=O)N(c2cccnc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409301962 560708046 /nfs/dbraw/zinc/70/80/46/560708046.db2.gz DQFDPWDUQLLEBU-RTBURBONSA-N 0 1 416.389 2.406 40 0 HEABMN Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccn3)CC1)=N[C@H]2[C@H]1CC=CCC1 ZINC000009289591 560757810 /nfs/dbraw/zinc/75/78/10/560757810.db2.gz JHDOQOYMUPSVDJ-FXAWDEMLSA-N 0 1 405.506 2.405 40 0 HEABMN CCN1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019527973 560874713 /nfs/dbraw/zinc/87/47/13/560874713.db2.gz NTFYQEIIVVNAQM-LJQANCHMSA-N 0 1 409.538 2.305 40 0 HEABMN CN1CCN(C[C@@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000022918087 560891137 /nfs/dbraw/zinc/89/11/37/560891137.db2.gz PJZYPJDCIBYRBD-GFCCVEGCSA-N 0 1 408.134 2.199 40 0 HEABMN Cc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000223533347 568551030 /nfs/dbraw/zinc/55/10/30/568551030.db2.gz HKDKRTYGYZFAHS-UHFFFAOYSA-N 0 1 418.500 2.456 40 0 HEABMN COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1 ZINC000223801332 568559509 /nfs/dbraw/zinc/55/95/09/568559509.db2.gz DLDNKXLJFSXKEN-UHFFFAOYSA-N 0 1 421.427 2.156 40 0 HEABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)s1 ZINC000223892075 568562169 /nfs/dbraw/zinc/56/21/69/568562169.db2.gz QVPPTCBTOVZJJK-UHFFFAOYSA-N 0 1 422.492 2.051 40 0 HEABMN O=C(Nc1nnc(S(=O)(=O)NCCc2ccc(F)cc2)s1)c1ccccc1 ZINC000225128504 568616056 /nfs/dbraw/zinc/61/60/56/568616056.db2.gz BDWYUFSVLQSGFW-UHFFFAOYSA-N 0 1 406.464 2.451 40 0 HEABMN Cc1nc2ccc(CCC(=O)N(C)C[C@@]3(O)CCCN(c4cc(C)ncn4)C3)cc2[nH]1 ZINC000257218973 568781644 /nfs/dbraw/zinc/78/16/44/568781644.db2.gz DFBHJSIDKMJOPP-QHCPKHFHSA-N 0 1 422.533 2.392 40 0 HEABMN Cc1c(NC(=O)CN2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cnn1C ZINC000257251194 568790683 /nfs/dbraw/zinc/79/06/83/568790683.db2.gz JPUVZBITYZPXSH-RFWXGWTQSA-N 0 1 409.534 2.411 40 0 HEABMN Cc1nn(C)cc1NC(=O)CN1[C@H](Cc2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257280827 568798819 /nfs/dbraw/zinc/79/88/19/568798819.db2.gz OMOSJHVUTUKAPU-SBHAEUEKSA-N 0 1 409.534 2.411 40 0 HEABMN COC(C)(C)C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 ZINC000257315389 568808827 /nfs/dbraw/zinc/80/88/27/568808827.db2.gz VBCSACKXLYFPRV-TXTKFYIRSA-N 0 1 404.551 2.101 40 0 HEABMN CC(C)c1ccc(OCCc2cc([C@H]3CN(S(=O)(=O)N(C)C)CCO3)n[nH]2)cc1 ZINC000257326471 568812208 /nfs/dbraw/zinc/81/22/08/568812208.db2.gz WXIPOFBXWQQSOI-HXUWFJFHSA-N 0 1 422.551 2.334 40 0 HEABMN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4nccs4)C[C@@H]2C3)cc1 ZINC000306124428 568887464 /nfs/dbraw/zinc/88/74/64/568887464.db2.gz BPNFUMXSYZETSI-UONOGXRCSA-N 0 1 410.503 2.300 40 0 HEABMN COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3cccnc3)CC2)C1 ZINC000306130249 568892807 /nfs/dbraw/zinc/89/28/07/568892807.db2.gz JABDDDDNOHWVSD-UHFFFAOYSA-N 0 1 419.489 2.308 40 0 HEABMN Cc1c(CN2CC[C@@]3(C2)COCc2cnc(N4CCC(F)(F)CC4)nc23)cnn1C ZINC000306139056 568900912 /nfs/dbraw/zinc/90/09/12/568900912.db2.gz SOEQUAPQRKBWHC-HXUWFJFHSA-N 0 1 418.492 2.428 40 0 HEABMN COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(Cc3cccnc3OC)C2)cc1 ZINC000306141896 568903512 /nfs/dbraw/zinc/90/35/12/568903512.db2.gz WJKJBNNIFNETQF-HSZRJFAPSA-N 0 1 419.485 2.265 40 0 HEABMN O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224318606 569057177 /nfs/dbraw/zinc/05/71/77/569057177.db2.gz SZLUYKHDNMATCQ-UHFFFAOYSA-N 0 1 421.423 2.294 40 0 HEABMN COC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CN1CCN(C)CC1 ZINC000019881334 569326938 /nfs/dbraw/zinc/32/69/38/569326938.db2.gz YNHMXCXFISIPBA-UHFFFAOYSA-N 0 1 410.312 2.483 40 0 HEABMN O=C(CN1CCOCC1)N1CC[C@@H](c2ccc3c(n[nH]c3NCc3ccccc3)n2)C1 ZINC000019704982 569347815 /nfs/dbraw/zinc/34/78/15/569347815.db2.gz MAWNZEUUHRDZJH-GOSISDBHSA-N 0 1 420.517 2.218 40 0 HEABMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000033621513 569350751 /nfs/dbraw/zinc/35/07/51/569350751.db2.gz GWLMUIWNJMHNPG-UHFFFAOYSA-N 0 1 413.361 2.442 40 0 HEABMN C=C1[NH+]=C(SCC(=O)[O-])N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000033634279 569350847 /nfs/dbraw/zinc/35/08/47/569350847.db2.gz HQDCCWXRCFTMMF-MRXNPFEDSA-N 0 1 424.475 2.368 40 0 HEABMN CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)CC1 ZINC000035425717 291202385 /nfs/dbraw/zinc/20/23/85/291202385.db2.gz LXPVOMJWFHEDLJ-SFHVURJKSA-N 0 1 407.478 2.465 40 0 biogenic,in-vitro HEABMN COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCCN2[C@]32c3ccccc3NC2=O)c1 ZINC000100203905 557270434 /nfs/dbraw/zinc/27/04/34/557270434.db2.gz GMNXXRIOIFEQEK-CROMWVBPSA-N 0 1 403.438 2.126 40 0 HEABMN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCN1CCCCC1 ZINC000408702225 557729071 /nfs/dbraw/zinc/72/90/71/557729071.db2.gz LTOSPRYRAGRZKX-UHFFFAOYSA-N 0 1 423.579 2.476 40 0 HEABMN COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(Cc2cccnc2)CC1 ZINC000019743678 558264173 /nfs/dbraw/zinc/26/41/73/558264173.db2.gz KGMYKLUYUSOELN-UHFFFAOYSA-N 0 1 408.506 2.075 40 0 HEABMN O=CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1 ZINC000013669130 558560845 /nfs/dbraw/zinc/56/08/45/558560845.db2.gz XTRNMZBVHQSBFJ-UHFFFAOYSA-N 0 1 407.879 2.055 40 0 HEABMN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+]3C3CCOCC3)[n-]c(=O)c2C1 ZINC000019342827 558872271 /nfs/dbraw/zinc/87/22/71/558872271.db2.gz FDLWTHFDXGATGG-KRWDZBQOSA-N 0 1 414.531 2.346 40 0 HEABMN O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@H+]3C3CCOCC3)[n-]c(=O)c2C1 ZINC000019342827 558872272 /nfs/dbraw/zinc/87/22/72/558872272.db2.gz FDLWTHFDXGATGG-KRWDZBQOSA-N 0 1 414.531 2.346 40 0 HEABMN O=C(c1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019342668 558872312 /nfs/dbraw/zinc/87/23/12/558872312.db2.gz YCUWNIIMJDJVTE-QGZVFWFLSA-N 0 1 414.531 2.346 40 0 HEABMN O=C(c1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019342668 558872314 /nfs/dbraw/zinc/87/23/14/558872314.db2.gz YCUWNIIMJDJVTE-QGZVFWFLSA-N 0 1 414.531 2.346 40 0 HEABMN COc1ccc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)cc1Cn1cccn1 ZINC000019559445 558920715 /nfs/dbraw/zinc/92/07/15/558920715.db2.gz FBURIGVOTQLOTD-UHFFFAOYSA-N 0 1 420.517 2.182 40 0 HEABMN COC[C@H](C)NC(=O)CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=NCCCN12 ZINC000072342678 558940696 /nfs/dbraw/zinc/94/06/96/558940696.db2.gz BAPFOACDBMAKPL-HNNXBMFYSA-N 0 1 419.957 2.161 40 0 HEABMN COc1ccc(CCC(=O)N2CCN(C)C[C@@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000072355155 558952352 /nfs/dbraw/zinc/95/23/52/558952352.db2.gz GIIDSHXDKUREQZ-LJQANCHMSA-N 0 1 411.550 2.117 40 0 HEABMN COc1cccc(OCCc2cc([C@H]3CCN(C(=O)Cc4nonc4C)C3)n[nH]2)c1 ZINC000072371511 558958469 /nfs/dbraw/zinc/95/84/69/558958469.db2.gz AEWAZISRQMCKKO-HNNXBMFYSA-N 0 1 411.462 2.290 40 0 HEABMN CCCO[C@@H]1CCCN(CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373083 558960899 /nfs/dbraw/zinc/96/08/99/558960899.db2.gz UMUHEGOBNPTIDY-RBUKOAKNSA-N 0 1 416.566 2.177 40 0 HEABMN CC(C)Nc1[nH]nc2nc([C@@H]3CCCN3C(=O)COCCN3CCCC3=O)ccc21 ZINC000072374543 558962127 /nfs/dbraw/zinc/96/21/27/558962127.db2.gz GXAQRZZUZNBZFZ-KRWDZBQOSA-N 0 1 414.510 2.081 40 0 HEABMN O=C(COc1ccc(F)cc1)N1CCCC[C@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 ZINC000072380711 558968754 /nfs/dbraw/zinc/96/87/54/558968754.db2.gz WKTSMIVTZJBTMJ-IBGZPJMESA-N 0 1 416.453 2.154 40 0 HEABMN CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(NCc3ccc(CO)cc3)c2C1 ZINC000019711300 558973360 /nfs/dbraw/zinc/97/33/60/558973360.db2.gz SULAUURQAKKGDD-LJQANCHMSA-N 0 1 409.534 2.295 40 0 HEABMN O=C(NCC(F)(F)F)C1=NO[C@@]2(C1)CCCN(Cc1ncc(C(F)(F)F)[nH]1)C2 ZINC000585101104 559024697 /nfs/dbraw/zinc/02/46/97/559024697.db2.gz DQEIEJHZLSCNLV-CYBMUJFWSA-N 0 1 413.322 2.218 40 0 HEABMN COCCN1CCN(c2ccc3ccc(C(=O)NCCc4ccncc4)cn32)CC1 ZINC000096155909 559099933 /nfs/dbraw/zinc/09/99/33/559099933.db2.gz QWHCIHVKNFUYTQ-UHFFFAOYSA-N 0 1 407.518 2.075 40 0 HEABMN Cc1cc(C)cc(O[C@H]2CN(Cc3ccc(OCCOCCO)cc3)C[C@@H]2O)c1 ZINC000585268732 559113664 /nfs/dbraw/zinc/11/36/64/559113664.db2.gz XNGZGKZYYOXTGC-GOTSBHOMSA-N 0 1 401.503 2.315 40 0 HEABMN CCOC(=O)N1CCC(N2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585283005 559120323 /nfs/dbraw/zinc/12/03/23/559120323.db2.gz OJUSTMCFVDILHM-FQEVSTJZSA-N 0 1 414.449 2.028 40 0 HEABMN CN(C)CC[N@@H+](C)CC[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CC[C@H]1CC(=O)[O-] ZINC000020462951 560093145 /nfs/dbraw/zinc/09/31/45/560093145.db2.gz ULGOJOVMVMZUJH-PMACEKPBSA-N 0 1 418.582 2.189 40 0 biogenic,in-vitro HEABMN CN(C)c1ccc(C(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CCN(C)CC[NH+](C)C)C2)cc1 ZINC000020462951 560093146 /nfs/dbraw/zinc/09/31/46/560093146.db2.gz ULGOJOVMVMZUJH-PMACEKPBSA-N 0 1 418.582 2.189 40 0 biogenic,in-vitro HEABMN Cc1ccnc(SCc2cc(=O)[nH]c(N3CCN(Cc4ccccc4)CC3)n2)n1 ZINC000013639800 560826224 /nfs/dbraw/zinc/82/62/24/560826224.db2.gz LVBQHUTUNMAQLV-UHFFFAOYSA-N 0 1 408.531 2.483 40 0 HEABMN CCN1CCN([C@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000019528062 560874701 /nfs/dbraw/zinc/87/47/01/560874701.db2.gz MEAANEKLVHGUIE-NRFANRHFSA-N 0 1 406.490 2.177 40 0 HEABMN COC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1C ZINC000223823900 568559969 /nfs/dbraw/zinc/55/99/69/568559969.db2.gz ZYIQFRATJXACLQ-UHFFFAOYSA-N 0 1 423.443 2.386 40 0 HEABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)s1 ZINC000224987878 568607703 /nfs/dbraw/zinc/60/77/03/568607703.db2.gz KGMPSFZQJSTJJL-UHFFFAOYSA-N 0 1 414.509 2.161 40 0 HEABMN O=C(c1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC1 ZINC000257302707 568805261 /nfs/dbraw/zinc/80/52/61/568805261.db2.gz SDYRPCMJOLPHNX-CQSZACIVSA-N 0 1 406.483 2.353 40 0 HEABMN CN1CCN(C(=O)C(C)(c2ccccc2)c2ccccc2)C[C@@](O)(Cn2cccn2)C1 ZINC000257327369 568812411 /nfs/dbraw/zinc/81/24/11/568812411.db2.gz XBBWXRVHADDXNX-RUZDIDTESA-N 0 1 418.541 2.394 40 0 HEABMN CS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccccn3)CC2)o1 ZINC000257327936 568812642 /nfs/dbraw/zinc/81/26/42/568812642.db2.gz XDKZWLOZVXSCCN-QGZVFWFLSA-N 0 1 405.524 2.331 40 0 HEABMN Cc1cnc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)cn1 ZINC000257339661 568815971 /nfs/dbraw/zinc/81/59/71/568815971.db2.gz ZCRAGMKJVYFELT-WPFOTENUSA-N 0 1 424.545 2.089 40 0 HEABMN Cc1nc(C)c(CN2CCOC[C@@]3(CC[C@H](CNC(=O)c4cccnc4)O3)C2)s1 ZINC000306124565 568887755 /nfs/dbraw/zinc/88/77/55/568887755.db2.gz BTPXMZVFIMXXJX-WIYYLYMNSA-N 0 1 416.547 2.335 40 0 HEABMN COc1ncccc1CN1CCC2(CCc3nnc(C(=O)NCC4CC4)n3C2)CC1 ZINC000306130170 568892412 /nfs/dbraw/zinc/89/24/12/568892412.db2.gz IYFNZEZBGXTLAU-UHFFFAOYSA-N 0 1 410.522 2.050 40 0 HEABMN O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306132792 568895124 /nfs/dbraw/zinc/89/51/24/568895124.db2.gz LSEZDQOYRQUHQK-GGAORHGYSA-N 0 1 404.470 2.467 40 0 HEABMN O=C(Nc1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224321612 569057372 /nfs/dbraw/zinc/05/73/72/569057372.db2.gz VGUNHTAWPOTZOI-UHFFFAOYSA-N 0 1 402.886 2.321 40 0 HEABMN Cc1ccc(NC(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1F ZINC000224332034 569058606 /nfs/dbraw/zinc/05/86/06/569058606.db2.gz WEPVHFOQRCRFQW-UHFFFAOYSA-N 0 1 400.458 2.115 40 0 HEABMN CCCO[C@H]1CCCN(C(=O)CN2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019503771 569345724 /nfs/dbraw/zinc/34/57/24/569345724.db2.gz QLUOKWVKBBPIPS-MOPGFXCFSA-N 0 1 416.566 2.177 40 0 HEABMN CC[C@H](C)Nc1nc(C(C)C)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 ZINC000329068705 571309470 /nfs/dbraw/zinc/30/94/70/571309470.db2.gz YSGHTSQSSZCNBD-AWEZNQCLSA-N 0 1 403.552 3.021 40 0 HEABMN Cc1nnc(Nc2cc([C@@H]3CCCN3C(=O)/C=C/c3cnn(C)c3)nc(C)n2)s1 ZINC000585292193 571310352 /nfs/dbraw/zinc/31/03/52/571310352.db2.gz YFGFBXXTJUFLMW-MOEXGYKKSA-N 0 1 410.507 2.799 40 0 HEABMN CCN(CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000012483689 291204253 /nfs/dbraw/zinc/20/42/53/291204253.db2.gz DMRIOZSYCBOUPF-DGXTUMSLSA-N 0 1 403.401 2.022 40 0 biogenic,in-vitro HEABMN CCc1n[nH]c(-n2ccc3c(nnc4c(-c5ccc(OC)cc5)c(C)nn43)c2=O)n1 ZINC000040372800 522722350 /nfs/dbraw/zinc/72/23/50/522722350.db2.gz JDPOCSILIVHONX-UHFFFAOYSA-N 0 1 402.418 2.093 40 0 HEABMN CCc1nc(-n2ccc3c(nnc4c(-c5ccc(OC)cc5)c(C)nn43)c2=O)n[nH]1 ZINC000040372800 522722357 /nfs/dbraw/zinc/72/23/57/522722357.db2.gz JDPOCSILIVHONX-UHFFFAOYSA-N 0 1 402.418 2.093 40 0 HEABMN COCCCNC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O ZINC000408615997 557542344 /nfs/dbraw/zinc/54/23/44/557542344.db2.gz DSHRXPMFYRZCLZ-UHFFFAOYSA-N 0 1 405.476 2.077 40 0 HEABMN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)c(OC)c1 ZINC000408620823 557545807 /nfs/dbraw/zinc/54/58/07/557545807.db2.gz JYBDMMOBLGOZPE-UHFFFAOYSA-N 0 1 420.487 2.285 40 0 HEABMN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCN1CCCCC1 ZINC000408701762 557725216 /nfs/dbraw/zinc/72/52/16/557725216.db2.gz FJDAAHUONPKPDQ-UHFFFAOYSA-N 0 1 423.579 2.332 40 0 HEABMN O=C(CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)N1CCN2CCCC[C@H]2C1 ZINC000019748812 558267959 /nfs/dbraw/zinc/26/79/59/558267959.db2.gz DPJHPHVFGMMUNJ-IBGZPJMESA-N 0 1 423.554 2.313 40 0 HEABMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(N3CCN(C)CC3)cc2)ncc1C(N)=O ZINC000019764551 558277924 /nfs/dbraw/zinc/27/79/24/558277924.db2.gz MCGOVRORGOAAOJ-HXUWFJFHSA-N 0 1 422.533 2.003 40 0 HEABMN COCC(=O)Nc1ccc2cnn(CC3(O)CCN(Cc4cccc(C)n4)CC3)c2c1 ZINC000019236159 558855206 /nfs/dbraw/zinc/85/52/06/558855206.db2.gz BXNGYFGCUUNXNH-UHFFFAOYSA-N 0 1 423.517 2.352 40 0 HEABMN Cc1cnc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCCC3)C4)C2)cn1 ZINC000019238825 558857567 /nfs/dbraw/zinc/85/75/67/558857567.db2.gz IBHKIOHXRJFDHT-MRXNPFEDSA-N 0 1 422.533 2.189 40 0 HEABMN CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc2c1CNCC2 ZINC000072372369 558959725 /nfs/dbraw/zinc/95/97/25/558959725.db2.gz BJGMHTWUZPMSKM-OAHLLOKOSA-N 0 1 407.927 2.343 40 0 HEABMN COCCN1CCN(c2ccc3ccc(C(=O)NCCc4ccccn4)cn32)CC1 ZINC000096155910 559100025 /nfs/dbraw/zinc/10/00/25/559100025.db2.gz BNASQDNLINGAGB-UHFFFAOYSA-N 0 1 407.518 2.075 40 0 HEABMN CN(C)CCN1[C@]2(CCN(C(=O)c3cccs3)C2)c2ccccc2S1(=O)=O ZINC000096261881 559106192 /nfs/dbraw/zinc/10/61/92/559106192.db2.gz HUJHREYHEBCIHW-IBGZPJMESA-N 0 1 405.545 2.055 40 0 HEABMN CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(Cc2cccnc2)CC3)C1=O ZINC000097952899 559125084 /nfs/dbraw/zinc/12/50/84/559125084.db2.gz PVDVLSVDAHTSTK-QHCPKHFHSA-N 0 1 406.534 2.213 40 0 HEABMN COC(C)(C)C(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257315388 559282927 /nfs/dbraw/zinc/28/29/27/559282927.db2.gz VBCSACKXLYFPRV-SXWKCWPCSA-N 0 1 404.551 2.101 40 0 HEABMN O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1cscn1 ZINC000257292657 559285710 /nfs/dbraw/zinc/28/57/10/559285710.db2.gz QMMBEZCFRRUPSC-KCZVDYSFSA-N 0 1 415.559 2.447 40 0 HEABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1 ZINC000223247076 568542558 /nfs/dbraw/zinc/54/25/58/568542558.db2.gz UAFYRSMCKXFWEW-UHFFFAOYSA-N 0 1 406.460 2.049 40 0 HEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)s1 ZINC000225213398 568623823 /nfs/dbraw/zinc/62/38/23/568623823.db2.gz LTIUHTCZEHKWOP-UHFFFAOYSA-N 0 1 424.548 2.159 40 0 HEABMN O=C(CN1CCCCCC1)N1CCNC(=O)[C@@H]1Cc1ccc(-c2cccnc2)cc1 ZINC000257248031 568789716 /nfs/dbraw/zinc/78/97/16/568789716.db2.gz JBSUFRBTPFQTCL-QFIPXVFZSA-N 0 1 406.530 2.494 40 0 HEABMN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC000257248480 568789965 /nfs/dbraw/zinc/78/99/65/568789965.db2.gz JDVKZJDXRDSQQN-GOSISDBHSA-N 0 1 406.490 2.285 40 0 HEABMN O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1cncs1 ZINC000257302305 568805045 /nfs/dbraw/zinc/80/50/45/568805045.db2.gz SCKORYOGSRTCQY-WOIUINJBSA-N 0 1 415.559 2.447 40 0 HEABMN CC(C)NC(=O)C1=NO[C@]2(C1)CN(C(=O)C1CCC1)CC[C@@H]2NCc1ccccc1 ZINC000306132119 568894324 /nfs/dbraw/zinc/89/43/24/568894324.db2.gz KZEKREXTPHJBTB-NZQKXSOJSA-N 0 1 412.534 2.217 40 0 HEABMN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306141368 568903038 /nfs/dbraw/zinc/90/30/38/568903038.db2.gz VTDSFOBHQAYXQL-LADGPHEKSA-N 0 1 415.497 2.269 40 0 HEABMN COc1ncccc1CN1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306141807 568903248 /nfs/dbraw/zinc/90/32/48/568903248.db2.gz WGVDWZJVZYGVKJ-QGZVFWFLSA-N 0 1 408.506 2.349 40 0 HEABMN CN1CCN(c2ncnc3c2c(C(=O)NCCc2ccncc2)c2ccccn23)CC1 ZINC000063527514 568936740 /nfs/dbraw/zinc/93/67/40/568936740.db2.gz BWQCXCMNXDOGBF-UHFFFAOYSA-N 0 1 415.501 2.002 40 0 HEABMN C=C1[NH+]=C(SCC(=O)[O-])N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000033634281 569350808 /nfs/dbraw/zinc/35/08/08/569350808.db2.gz HQDCCWXRCFTMMF-INIZCTEOSA-N 0 1 424.475 2.368 40 0 HEABMN COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3C3CCN(C(C)=O)CC3)n2)ccn1 ZINC000035424756 291206448 /nfs/dbraw/zinc/20/64/48/291206448.db2.gz YYVQRTXIAKDDKA-SFHVURJKSA-N 0 1 415.494 2.305 40 0 biogenic,in-vitro HEABMN COCCOc1cc(-c2noc([C@@H]3CCCN3C3CCN(C(C)=O)CC3)n2)ccn1 ZINC000035424756 291206451 /nfs/dbraw/zinc/20/64/51/291206451.db2.gz YYVQRTXIAKDDKA-SFHVURJKSA-N 0 1 415.494 2.305 40 0 biogenic,in-vitro HEABMN COc1ccc(CN2CCC(O)(c3csc(CN4CC[C@@H](O)C4)n3)CC2)cc1 ZINC000225464769 291208275 /nfs/dbraw/zinc/20/82/75/291208275.db2.gz SXHADMWWDILJIB-QGZVFWFLSA-N 0 1 403.548 2.202 40 0 biogenic,in-vitro HEABMN Cc1noc(C)c1CNC[C@@]1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@@H](O)C1 ZINC000107430410 291211005 /nfs/dbraw/zinc/21/10/05/291211005.db2.gz KALWLONBQHGPJV-ALXJQNPVSA-N 0 1 415.412 2.376 40 0 biogenic,in-vitro HEABMN COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)CN4CCCC4)C3)nc2C)cc1 ZINC000019766241 524650097 /nfs/dbraw/zinc/65/00/97/524650097.db2.gz ABTYAUZFKDVOHZ-KRWDZBQOSA-N 0 1 423.517 2.458 40 0 HEABMN CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3CN2CC[NH+](C)CC2)c1 ZINC000022926974 526126465 /nfs/dbraw/zinc/12/64/65/526126465.db2.gz WUZFLECBPDGKIK-CMKODMSKSA-N 0 1 417.623 2.488 40 0 biogenic,in-vitro HEABMN COCCNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)ccc2OC)ccc1C ZINC000408617914 557534746 /nfs/dbraw/zinc/53/47/46/557534746.db2.gz FCTKDFMNUPHOQS-UHFFFAOYSA-N 0 1 408.476 2.189 40 0 HEABMN Cc1ccc(C2(CN3CCC(NC(=O)C[C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000019208345 558847504 /nfs/dbraw/zinc/84/75/04/558847504.db2.gz KIHGZTKSMNLELR-SFHVURJKSA-N 0 1 404.576 2.432 40 0 HEABMN O=C(Cn1cccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019406039 558884875 /nfs/dbraw/zinc/88/48/75/558884875.db2.gz WTEYBRLYVPQACU-FQEVSTJZSA-N 0 1 424.549 2.411 40 0 HEABMN O=C(Cn1cccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCCCC1)CC2 ZINC000019406039 558884877 /nfs/dbraw/zinc/88/48/77/558884877.db2.gz WTEYBRLYVPQACU-FQEVSTJZSA-N 0 1 424.549 2.411 40 0 HEABMN Cc1nc2[n-]cnn2c(=O)c1CCC(=O)NCC1([NH+]2CCCCC2)CCC(C)CC1 ZINC000019665986 558956034 /nfs/dbraw/zinc/95/60/34/558956034.db2.gz WLZYSMITRPQXKX-UHFFFAOYSA-N 0 1 414.554 2.210 40 0 HEABMN COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)Cn3nc(C)nc3C)C2)n[nH]1 ZINC000072371621 558958721 /nfs/dbraw/zinc/95/87/21/558958721.db2.gz HCNQHGQAQPWHRJ-KRWDZBQOSA-N 0 1 424.505 2.264 40 0 HEABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000072372303 558959715 /nfs/dbraw/zinc/95/97/15/558959715.db2.gz APQVMYKYXHWRRT-AWEZNQCLSA-N 0 1 419.526 2.214 40 0 HEABMN NC(=O)C1CCN(C(=O)CN2CCC(c3ccc(Nc4ccccn4)cn3)CC2)CC1 ZINC000072374220 558961743 /nfs/dbraw/zinc/96/17/43/558961743.db2.gz XDQXILCOXBGRTK-UHFFFAOYSA-N 0 1 422.533 2.124 40 0 HEABMN O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 ZINC000072380671 558968730 /nfs/dbraw/zinc/96/87/30/558968730.db2.gz AGPCQNIUULLOJI-IBGZPJMESA-N 0 1 400.454 2.318 40 0 HEABMN CCc1cc2c(ncn(CC(=O)NC3CCN(Cc4ccccn4)CC3)c2=O)s1 ZINC000019714837 558975159 /nfs/dbraw/zinc/97/51/59/558975159.db2.gz ATRBFMSSIPMBMM-UHFFFAOYSA-N 0 1 411.531 2.196 40 0 HEABMN COc1cccc(CN2CCC[C@@]3(CCN(S(=O)(=O)c4cn(C)cn4)C3)C2)c1 ZINC000096215609 559101896 /nfs/dbraw/zinc/10/18/96/559101896.db2.gz OJOYOAGEZLFRMT-HXUWFJFHSA-N 0 1 404.536 2.106 40 0 HEABMN C[C@H]1O[C@@H](C)CN2c3ccccc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]12 ZINC000102784274 559152736 /nfs/dbraw/zinc/15/27/36/559152736.db2.gz AAXHHKHQORLYBE-YWUSGSKHSA-N 0 1 405.454 2.494 40 0 HEABMN COc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)N1CCCCCC1 ZINC000113939950 559182422 /nfs/dbraw/zinc/18/24/22/559182422.db2.gz INGRQLWJZBQUHB-UHFFFAOYSA-N 0 1 409.552 2.084 40 0 HEABMN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCCN1CCN(c3cc[n+]([O-])cc3)CC1)C2=O ZINC000002554330 560585574 /nfs/dbraw/zinc/58/55/74/560585574.db2.gz NGGHDEXGMMOXQL-XXBNENTESA-N 0 1 414.550 2.034 40 0 HEABMN NC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1 ZINC000409407357 560722452 /nfs/dbraw/zinc/72/24/52/560722452.db2.gz FLCKZLPAAHTLRE-UHFFFAOYSA-N 0 1 421.906 2.478 40 0 HEABMN Cc1nn2c([n-]1)ncc(C(=O)Nc1ccc3c(c1)C[N@@H+](Cc1ccccc1)C3)c2=O ZINC000100788382 560726534 /nfs/dbraw/zinc/72/65/34/560726534.db2.gz HCTDPDBUZONNDK-UHFFFAOYSA-N 0 1 400.442 2.494 40 0 HEABMN Cc1nn2c([n-]1)ncc(C(=O)Nc1ccc3c(c1)C[N@H+](Cc1ccccc1)C3)c2=O ZINC000100788382 560726535 /nfs/dbraw/zinc/72/65/35/560726535.db2.gz HCTDPDBUZONNDK-UHFFFAOYSA-N 0 1 400.442 2.494 40 0 HEABMN CCN1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)CC1 ZINC000022920449 568500606 /nfs/dbraw/zinc/50/06/06/568500606.db2.gz WMRJVISAFWRRDB-QZTJIDSGSA-N 0 1 422.595 2.214 40 0 HEABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)c1 ZINC000223246431 568542422 /nfs/dbraw/zinc/54/24/22/568542422.db2.gz IQXSHELILMFCBS-UHFFFAOYSA-N 0 1 408.476 2.280 40 0 HEABMN O=C(Nc1nnc(S(=O)(=O)NCc2ccccn2)s1)c1ccccc1Cl ZINC000225060800 568611804 /nfs/dbraw/zinc/61/18/04/568611804.db2.gz QVVDVSSQIQOPGC-UHFFFAOYSA-N 0 1 409.880 2.317 40 0 HEABMN O=C(CCN1C(=O)c2ccccc2C1=O)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000225874835 568682697 /nfs/dbraw/zinc/68/26/97/568682697.db2.gz IAZNFFHZOCMTJG-UHFFFAOYSA-N 0 1 421.482 2.366 40 0 HEABMN CS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3cccnc3)CC2)o1 ZINC000257250867 568790469 /nfs/dbraw/zinc/79/04/69/568790469.db2.gz JOJLLZWUPVGPNT-KRWDZBQOSA-N 0 1 405.524 2.331 40 0 HEABMN Cc1cnc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)cn1 ZINC000257270480 568795755 /nfs/dbraw/zinc/79/57/55/568795755.db2.gz MUJKZBDXAWITRK-HXUWFJFHSA-N 0 1 411.437 2.482 40 0 HEABMN Cc1nc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)co1 ZINC000257289456 568801203 /nfs/dbraw/zinc/80/12/03/568801203.db2.gz PYSIXVIKCPMDIK-QNWVGRARSA-N 0 1 413.518 2.287 40 0 HEABMN Cc1ccc(C(=O)N2CCC3(CC2)CN(C)C[C@@H](C(=O)NCc2ccco2)O3)s1 ZINC000306123058 568886255 /nfs/dbraw/zinc/88/62/55/568886255.db2.gz ADPBEXONMMKHNL-KRWDZBQOSA-N 0 1 417.531 2.271 40 0 HEABMN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4nccs4)C[C@H]2C3)cc1 ZINC000306124427 568887435 /nfs/dbraw/zinc/88/74/35/568887435.db2.gz BPNFUMXSYZETSI-KGLIPLIRSA-N 0 1 410.503 2.300 40 0 HEABMN Cn1cc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)cn1 ZINC000306133913 568895841 /nfs/dbraw/zinc/89/58/41/568895841.db2.gz MZDQKQLFWHTJCB-LADGPHEKSA-N 0 1 417.513 2.212 40 0 HEABMN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306141367 568902990 /nfs/dbraw/zinc/90/29/90/568902990.db2.gz VTDSFOBHQAYXQL-ISKFKSNPSA-N 0 1 415.497 2.269 40 0 HEABMN O=C([N-][C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000575421062 569025754 /nfs/dbraw/zinc/02/57/54/569025754.db2.gz MUOBQWGFPQIWDU-GHMZBOCLSA-N 0 1 420.145 2.082 40 0 HEABMN CC(=O)N1CC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)N2CCCN(C)CC2)C1 ZINC000019703564 569347558 /nfs/dbraw/zinc/34/75/58/569347558.db2.gz SYWDLHQQVQUTFQ-QHCPKHFHSA-N 0 1 410.518 2.287 40 0 HEABMN Cc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NCc2ccccc2)n1 ZINC000329066609 571306522 /nfs/dbraw/zinc/30/65/22/571306522.db2.gz YCEZSCNVFPMYKV-UHFFFAOYSA-N 0 1 409.515 2.607 40 0 HEABMN COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NCc3ccccn3)n2)cc1 ZINC000067902076 291207805 /nfs/dbraw/zinc/20/78/05/291207805.db2.gz FJWNSGKDWIRUJH-FNAHDJPLSA-N 0 1 419.485 2.284 40 0 biogenic,in-vitro HEABMN COCCOc1ccc(-c2noc([C@@H]3CCCN3C3CCN(C(C)=O)CC3)n2)cn1 ZINC000035425370 291206608 /nfs/dbraw/zinc/20/66/08/291206608.db2.gz LZZXHVITSHDVHB-SFHVURJKSA-N 0 1 415.494 2.305 40 0 biogenic,in-vitro HEABMN O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000000917305 557117947 /nfs/dbraw/zinc/11/79/47/557117947.db2.gz PFJCTPQRZFPUDY-UHFFFAOYSA-N 0 1 404.473 2.219 40 0 HEABMN C[C@@H](C(=O)Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C)c1ccccc1 ZINC000408534468 557321245 /nfs/dbraw/zinc/32/12/45/557321245.db2.gz VREOBKODRCKUJJ-MRXNPFEDSA-N 0 1 407.518 2.371 40 0 HEABMN COc1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@H]3C[C@H](O)[C@H](OC)[C@H](C(=O)[O-])[C@@H]3C[C@H]12 ZINC000005015167 557625787 /nfs/dbraw/zinc/62/57/87/557625787.db2.gz JVHNBFFHWQQPLL-YVMJYZKUSA-N 0 1 400.475 2.192 40 0 in-vitro HEABMN COc1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@H]3C[C@H](O)[C@H](OC)[C@H](C(=O)[O-])[C@@H]3C[C@H]12 ZINC000005015167 557625790 /nfs/dbraw/zinc/62/57/90/557625790.db2.gz JVHNBFFHWQQPLL-YVMJYZKUSA-N 0 1 400.475 2.192 40 0 in-vitro HEABMN CC[C@@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2)C(=O)OC ZINC000036596622 557849393 /nfs/dbraw/zinc/84/93/93/557849393.db2.gz OILDWJOAASVCNK-LLSQANQASA-N 0 1 414.462 2.383 40 0 HEABMN COc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)ccn1 ZINC000019448188 558887128 /nfs/dbraw/zinc/88/71/28/558887128.db2.gz RUVHSWXGTJMTKJ-GOSISDBHSA-N 0 1 411.506 2.307 40 0 HEABMN COc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)ccn1 ZINC000019448188 558887130 /nfs/dbraw/zinc/88/71/30/558887130.db2.gz RUVHSWXGTJMTKJ-GOSISDBHSA-N 0 1 411.506 2.307 40 0 HEABMN CCNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019528600 558909929 /nfs/dbraw/zinc/90/99/29/558909929.db2.gz BGFZSLOXVZFWBD-HSZRJFAPSA-N 0 1 418.501 2.468 40 0 HEABMN Cc1[nH]n(-c2cccc(C(=O)NCCS(=O)(=O)N3CCCC[C@@H]3C)c2)c(=O)c1C ZINC000019557355 558919601 /nfs/dbraw/zinc/91/96/01/558919601.db2.gz XTHSWFYVLGVWFM-AWEZNQCLSA-N 0 1 420.535 2.129 40 0 HEABMN COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1 ZINC000019570566 558929426 /nfs/dbraw/zinc/92/94/26/558929426.db2.gz NJJWZDDZOBYLGF-QGZVFWFLSA-N 0 1 408.502 2.475 40 0 HEABMN COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2C(=O)c2ccn[nH]2)nc1C ZINC000072345396 558941804 /nfs/dbraw/zinc/94/18/04/558941804.db2.gz UQTMJIDBJBGCKZ-GOSISDBHSA-N 0 1 420.473 2.424 40 0 HEABMN COCCc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1 ZINC000019593845 558945146 /nfs/dbraw/zinc/94/51/46/558945146.db2.gz LFYPOIDUTYOSDT-SFHVURJKSA-N 0 1 412.538 2.119 40 0 HEABMN Cc1nc(C)n(CC(=O)N2CC[C@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)n1 ZINC000072371619 558958816 /nfs/dbraw/zinc/95/88/16/558958816.db2.gz HMUOSHPQULVCAT-INIZCTEOSA-N 0 1 412.469 2.395 40 0 HEABMN O=C(c1ccc2ccccc2n1)N1CCC[C@@]2(C1)COCCN(Cc1c[nH]nn1)C2 ZINC000096228855 559102843 /nfs/dbraw/zinc/10/28/43/559102843.db2.gz CGZSBPOVBOTDQV-JOCHJYFZSA-N 0 1 406.490 2.108 40 0 HEABMN OCCOCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000585268702 559113031 /nfs/dbraw/zinc/11/30/31/559113031.db2.gz FVWCNRZTDMFUMI-SFTDATJTSA-N 0 1 407.894 2.352 40 0 HEABMN CCOC(=O)N1CCC(N2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585283006 559120376 /nfs/dbraw/zinc/12/03/76/559120376.db2.gz OJUSTMCFVDILHM-HXUWFJFHSA-N 0 1 414.449 2.028 40 0 HEABMN O=C(c1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(C3CCC(F)(F)CC3)C2)C1 ZINC000514289447 560032700 /nfs/dbraw/zinc/03/27/00/560032700.db2.gz LGCXOQOFRPVNKL-RBUKOAKNSA-N 0 1 405.489 2.210 40 0 biogenic,in-vitro HEABMN O=C(CSC(=S)NCCOc1ccccc1)N[C@H](O)C(Cl)(Cl)Cl ZINC000003150014 560886416 /nfs/dbraw/zinc/88/64/16/560886416.db2.gz HVQDBEYUXJVUET-LLVKDONJSA-N 0 1 417.767 2.478 40 0 HEABMN O=C(Nc1nnc(S(=O)(=O)NCc2cccnc2)s1)c1ccc(Cl)cc1 ZINC000222753755 568525601 /nfs/dbraw/zinc/52/56/01/568525601.db2.gz AZXMRTPSLXBUQQ-UHFFFAOYSA-N 0 1 409.880 2.317 40 0 HEABMN C[C@H]1CCC[N@@H+](CCC[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)C1 ZINC000223374176 568546930 /nfs/dbraw/zinc/54/69/30/568546930.db2.gz YSLMQCHBEPTJNC-AWEZNQCLSA-N 0 1 423.564 2.191 40 0 HEABMN C[C@@H]1CCC[N@@H+](CCC[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)C1 ZINC000223374120 568546939 /nfs/dbraw/zinc/54/69/39/568546939.db2.gz YSLMQCHBEPTJNC-CQSZACIVSA-N 0 1 423.564 2.191 40 0 HEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccccc2F)s1 ZINC000224477627 568582187 /nfs/dbraw/zinc/58/21/87/568582187.db2.gz KVSAGNNBBZKMJU-UHFFFAOYSA-N 0 1 418.541 2.483 40 0 HEABMN CC(=O)N[C@H]1CC[C@](CNC(=O)CN2CCC(C)CC2)(c2ccccc2)CC[C@@H]1O ZINC000257312623 568807864 /nfs/dbraw/zinc/80/78/64/568807864.db2.gz UOVJOPKPGOBPMP-FIXSFTCYSA-N 0 1 415.578 2.212 40 0 HEABMN CS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccccn3)CC2)o1 ZINC000257327935 568812618 /nfs/dbraw/zinc/81/26/18/568812618.db2.gz XDKZWLOZVXSCCN-KRWDZBQOSA-N 0 1 405.524 2.331 40 0 HEABMN COCCN1CC[C@]2(CN(Cc3nccs3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128328 568891219 /nfs/dbraw/zinc/89/12/19/568891219.db2.gz GXJPQWJAFYEERE-OXJNMPFZSA-N 0 1 403.552 2.385 40 0 HEABMN COc1ncccc1CN1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306141806 568903234 /nfs/dbraw/zinc/90/32/34/568903234.db2.gz WGVDWZJVZYGVKJ-KRWDZBQOSA-N 0 1 408.506 2.349 40 0 HEABMN O=C1N(Cc2cccnc2)CCO[C@@]12CN(Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306142993 568904706 /nfs/dbraw/zinc/90/47/06/568904706.db2.gz XQBGGIKSYJMMEF-JTHBVZDNSA-N 0 1 404.470 2.467 40 0 HEABMN O=C1N(Cc2cccnc2)CCO[C@]12CN(Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306142991 568904761 /nfs/dbraw/zinc/90/47/61/568904761.db2.gz XQBGGIKSYJMMEF-GGAORHGYSA-N 0 1 404.470 2.467 40 0 HEABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C=O)CC3)ccc2Cl)c1 ZINC000010112079 569342900 /nfs/dbraw/zinc/34/29/00/569342900.db2.gz VRONKTVFENNSDQ-UHFFFAOYSA-N 0 1 421.906 2.363 40 0 HEABMN C[NH+]1CCN(C[C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000022926951 291205435 /nfs/dbraw/zinc/20/54/35/291205435.db2.gz OPURDJSLFFTBCW-CMKODMSKSA-N 0 1 424.511 2.393 40 0 biogenic,in-vitro HEABMN COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nn1C ZINC000008635344 291206268 /nfs/dbraw/zinc/20/62/68/291206268.db2.gz WLQWVEVQVTUQMS-SXLOBPIMSA-N 0 1 411.550 2.094 40 0 biogenic,in-vitro HEABMN Cc1cc(C)nc(N2CCN(CCCCN3C(=O)[C@@H]4CC[C@H](C3=O)C4(C)C)CC2)n1 ZINC000005541562 132306792 /nfs/dbraw/zinc/30/67/92/132306792.db2.gz SUTQXCDTESYFFP-KDURUIRLSA-N 0 1 413.566 2.417 40 0 HEABMN COCc1nn2c(nnc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccc(F)cc1 ZINC000040392243 523247490 /nfs/dbraw/zinc/24/74/90/523247490.db2.gz AMHMVMDACSFVPF-UHFFFAOYSA-N 0 1 419.420 2.358 40 0 HEABMN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)Nc1ccc2ccccc2c1 ZINC000004899482 557611229 /nfs/dbraw/zinc/61/12/29/557611229.db2.gz UFLMFGGTOSXVIA-PMACEKPBSA-N 0 1 410.518 2.259 40 0 HEABMN COC(=O)[C@@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccccc1)O[C@H]2c1ccccc1 ZINC000005766599 557673691 /nfs/dbraw/zinc/67/36/91/557673691.db2.gz WXHWUFKLCLYPBR-WLJAXQAKSA-N 0 1 423.465 2.333 40 0 HEABMN COC(=O)C(C(=O)C(=O)Nc1cccc(O)c1)c1nc2ccc(Cl)cc2[nH]c1=O ZINC000008653483 557798845 /nfs/dbraw/zinc/79/88/45/557798845.db2.gz PZESIQYXROYGRY-AWEZNQCLSA-N 0 1 415.789 2.159 40 0 HEABMN CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2CCSC)C(=O)Nc2ccc(F)cc21 ZINC000035375180 558790579 /nfs/dbraw/zinc/79/05/79/558790579.db2.gz NVVBORDBMCXQLB-HKMBFBJRSA-N 0 1 405.495 2.098 40 0 HEABMN O=C(c1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019342665 558872148 /nfs/dbraw/zinc/87/21/48/558872148.db2.gz YCUWNIIMJDJVTE-KRWDZBQOSA-N 0 1 414.531 2.346 40 0 HEABMN O=C(c1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019342665 558872151 /nfs/dbraw/zinc/87/21/51/558872151.db2.gz YCUWNIIMJDJVTE-KRWDZBQOSA-N 0 1 414.531 2.346 40 0 HEABMN CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccc4c(c3)OCO4)[n-]c(=O)c2C1 ZINC000019448265 558887198 /nfs/dbraw/zinc/88/71/98/558887198.db2.gz DCSGIIBQZBOWIM-SFHVURJKSA-N 0 1 424.501 2.171 40 0 HEABMN CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccc4c(c3)OCO4)[n-]c(=O)c2C1 ZINC000019448265 558887200 /nfs/dbraw/zinc/88/72/00/558887200.db2.gz DCSGIIBQZBOWIM-SFHVURJKSA-N 0 1 424.501 2.171 40 0 HEABMN COCC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019592801 558943691 /nfs/dbraw/zinc/94/36/91/558943691.db2.gz BEHGAKWERTVKKC-AWEZNQCLSA-N 0 1 402.520 2.154 40 0 HEABMN Cc1nc2nc([C@H]3CCCN(C(=O)c4ccn[nH]4)C3)cc(C(F)(F)F)c2c(=O)[nH]1 ZINC000072350878 558947643 /nfs/dbraw/zinc/94/76/43/558947643.db2.gz IXXJITQHWTYUND-JTQLQIEISA-N 0 1 406.368 2.388 40 0 HEABMN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(C(=O)Cc2ccc4nc[nH]c4c2)CC3)C1 ZINC000019654701 558948013 /nfs/dbraw/zinc/94/80/13/558948013.db2.gz PQMOYKYJNRGHHH-AWEZNQCLSA-N 0 1 406.490 2.010 40 0 HEABMN O=C(Cc1ccc(Cl)cc1)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380662 558968735 /nfs/dbraw/zinc/96/87/35/558968735.db2.gz ABLQLOXVWGHIGN-INIZCTEOSA-N 0 1 416.909 2.484 40 0 HEABMN COc1ccc(CN2C[C@H]3[C@H](CC[C@]3(O)c3cnc(OC)nc3OC)C2)c(F)c1 ZINC000072395409 558974349 /nfs/dbraw/zinc/97/43/49/558974349.db2.gz LBCHNHFLYZMSPJ-JRQSSSKMSA-N 0 1 403.454 2.371 40 0 HEABMN COc1ccc(CN2CCC3(CC2)NC(=O)N(C)C3=O)cc1OCc1ccccn1 ZINC000019716013 558977504 /nfs/dbraw/zinc/97/75/04/558977504.db2.gz GYJBQSMEUGRQFM-UHFFFAOYSA-N 0 1 410.474 2.185 40 0 HEABMN CCn1cc(CN2C[C@@H](C(=O)NCc3cc(F)cc(F)c3)C[C@H]3OCC[C@H]32)cn1 ZINC000585108712 559030184 /nfs/dbraw/zinc/03/01/84/559030184.db2.gz GYQXZUXPJNQOQD-PWIZWCRZSA-N 0 1 404.461 2.477 40 0 HEABMN COCCNC(=O)C[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)Oc2ccccc21 ZINC000096053370 559093292 /nfs/dbraw/zinc/09/32/92/559093292.db2.gz ZMLRZBWMUJUKIN-LJQANCHMSA-N 0 1 412.534 2.474 40 0 HEABMN CN1CCCN(C(=O)c2nc(-c3cn(C[C@@H]4CCCO4)cn3)n3ccccc23)CC1 ZINC000096155147 559099330 /nfs/dbraw/zinc/09/93/30/559099330.db2.gz BONVLNYLUJZEAF-KRWDZBQOSA-N 0 1 408.506 2.155 40 0 HEABMN COCC(=O)N1CC[N@H+](C2CCCCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585281990 559119739 /nfs/dbraw/zinc/11/97/39/559119739.db2.gz DVUNPODYFXIOAS-NRFANRHFSA-N 0 1 412.477 2.198 40 0 HEABMN Cc1[nH]nc2c1[C@H](c1cnn(C)c1)c1c3nc(-c4cc(C5CC5)n[nH]4)nn3cnc1O2 ZINC000017089806 559122745 /nfs/dbraw/zinc/12/27/45/559122745.db2.gz QGINNQSODIBWGF-HNNXBMFYSA-N 0 1 414.433 2.443 40 0 HEABMN O=C(C1CC1)N1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C1CCOCC1)CC3 ZINC000100234199 559132698 /nfs/dbraw/zinc/13/26/98/559132698.db2.gz OODOVAAQCMUHQZ-IBGZPJMESA-N 0 1 411.506 2.046 40 0 HEABMN O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1ccccn1 ZINC000257331477 559283365 /nfs/dbraw/zinc/28/33/65/559283365.db2.gz XTAUQKMXQHFUER-CQOQZXRMSA-N 0 1 409.530 2.385 40 0 HEABMN CCN1CCN([C@H](c2nnnn2Cc2ccccc2)c2ccc(OC)c(OC)c2)CC1 ZINC000019527984 560874697 /nfs/dbraw/zinc/87/46/97/560874697.db2.gz ZYAZLKMYJJMDQB-QFIPXVFZSA-N 0 1 422.533 2.466 40 0 HEABMN O=C(CSC(=S)NCCOc1ccccc1)N[C@@H](O)C(Cl)(Cl)Cl ZINC000003150015 560886460 /nfs/dbraw/zinc/88/64/60/560886460.db2.gz HVQDBEYUXJVUET-NSHDSACASA-N 0 1 417.767 2.478 40 0 HEABMN COc1ccccc1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000223830532 568560203 /nfs/dbraw/zinc/56/02/03/568560203.db2.gz KXCUHTXFWPXWIW-UHFFFAOYSA-N 0 1 412.537 2.442 40 0 HEABMN O=C(Nc1nnc(S(=O)(=O)NCc2cccnc2)s1)c1ccccc1Cl ZINC000225491729 568642860 /nfs/dbraw/zinc/64/28/60/568642860.db2.gz VYYNXCVUMWDRSA-UHFFFAOYSA-N 0 1 409.880 2.317 40 0 HEABMN CC[C@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225843003 568679831 /nfs/dbraw/zinc/67/98/31/568679831.db2.gz DFWQQHQSPJAEJC-ZDUSSCGKSA-N 0 1 417.601 2.456 40 0 HEABMN 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CN([C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1)S(C)(=O)=O ZINC000260769742 568738173 /nfs/dbraw/zinc/73/81/73/568738173.db2.gz QYGXUGOCYCGLKO-FQEVSTJZSA-N 0 1 416.547 2.010 40 0 HEABMN Cc1nn(C)cc1C(=O)N1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 ZINC000257263722 568793892 /nfs/dbraw/zinc/79/38/92/568793892.db2.gz LRDSSEXAIORJNW-HXUWFJFHSA-N 0 1 413.453 2.426 40 0 HEABMN CC1CCN(CC(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)CC1 ZINC000257296430 568803454 /nfs/dbraw/zinc/80/34/54/568803454.db2.gz RCVDDQAJZBXCBD-JOCHJYFZSA-N 0 1 405.514 2.421 40 0 HEABMN O=C(c1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC1 ZINC000257302706 568805264 /nfs/dbraw/zinc/80/52/64/568805264.db2.gz SDYRPCMJOLPHNX-AWEZNQCLSA-N 0 1 406.483 2.353 40 0 HEABMN Cc1ccc(C(=O)N2CCC3(CC2)CN(C)C[C@H](C(=O)NCc2ccco2)O3)s1 ZINC000306123059 568886263 /nfs/dbraw/zinc/88/62/63/568886263.db2.gz ADPBEXONMMKHNL-QGZVFWFLSA-N 0 1 417.531 2.271 40 0 HEABMN COc1ccccc1CN1CCOC[C@]2(CC[C@H](CNC(=O)c3cccnc3)O2)C1 ZINC000306125771 568888608 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O=C(c1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1)N1CCCC1 ZINC000257332216 568813816 /nfs/dbraw/zinc/81/38/16/568813816.db2.gz XWGWDTUKNYFKOW-CYBMUJFWSA-N 0 1 424.473 2.492 40 0 HEABMN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306123033 568886162 /nfs/dbraw/zinc/88/61/62/568886162.db2.gz ACWVAYMRIVOQMH-LADGPHEKSA-N 0 1 415.497 2.269 40 0 HEABMN COCCN1CC[C@@]2(CN(Cc3nccs3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128327 568891251 /nfs/dbraw/zinc/89/12/51/568891251.db2.gz GXJPQWJAFYEERE-JXFKEZNVSA-N 0 1 403.552 2.385 40 0 HEABMN CN1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCc3ccccc3)cn21 ZINC000306140659 568902432 /nfs/dbraw/zinc/90/24/32/568902432.db2.gz UZVMQVVDRNKCFV-NRFANRHFSA-N 0 1 418.545 2.400 40 0 HEABMN O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306141370 568902961 /nfs/dbraw/zinc/90/29/61/568902961.db2.gz VTDSFOBHQAYXQL-VWNXMTODSA-N 0 1 415.497 2.269 40 0 HEABMN Cc1ccsc1CN1CCN2CCn3c(C(=O)NC4CCCC4)nnc3[C@H]2C1 ZINC000306144531 568905871 /nfs/dbraw/zinc/90/58/71/568905871.db2.gz ZIAYZCVTSWQDAB-MRXNPFEDSA-N 0 1 400.552 2.193 40 0 HEABMN CN(C)c1ncc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(N(C)C)n1 ZINC000224342485 569059465 /nfs/dbraw/zinc/05/94/65/569059465.db2.gz ZRUSQCXHMGOBLU-UHFFFAOYSA-N 0 1 405.402 2.308 40 0 HEABMN COC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(C(F)(F)F)cc2)N1C ZINC000035442353 291205901 /nfs/dbraw/zinc/20/59/01/291205901.db2.gz ZRCVRUVEOWFYFY-JZXOWHBKSA-N 0 1 413.440 2.032 40 0 biogenic,in-vitro HEABMN COc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccccc3)s2)c1 ZINC000041077657 525838644 /nfs/dbraw/zinc/83/86/44/525838644.db2.gz MKCBNCQNLDJBJF-UHFFFAOYSA-N 0 1 404.473 2.278 40 0 HEABMN COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)c4ccn[nH]4)C3)nc2C)c1 ZINC000019753826 558273167 /nfs/dbraw/zinc/27/31/67/558273167.db2.gz TZDLTIZFZQTCAJ-MRXNPFEDSA-N 0 1 420.473 2.076 40 0 HEABMN COc1cccc(OCCN2CCN(Cc3cn(CC(N)=O)c4ccccc34)CC2)c1 ZINC000022581837 558499955 /nfs/dbraw/zinc/49/99/55/558499955.db2.gz BPAJERQDOZTRKZ-UHFFFAOYSA-N 0 1 422.529 2.332 40 0 HEABMN O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014480 558836542 /nfs/dbraw/zinc/83/65/42/558836542.db2.gz PJHRBTUYFGMKHG-OXQOHEQNSA-N 0 1 412.534 2.327 40 0 HEABMN O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014480 558836543 /nfs/dbraw/zinc/83/65/43/558836543.db2.gz PJHRBTUYFGMKHG-OXQOHEQNSA-N 0 1 412.534 2.327 40 0 HEABMN Cc1ccc(C2(CNC(=O)C[C@H]3C(=O)NCCN3C3CCCC3)CCOCC2)cc1 ZINC000019208655 558847643 /nfs/dbraw/zinc/84/76/43/558847643.db2.gz IONCGSMCOMBKEW-NRFANRHFSA-N 0 1 413.562 2.293 40 0 HEABMN COCCc1ncc(CN2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCCC(=O)N3)cn1 ZINC000019236391 558855550 /nfs/dbraw/zinc/85/55/50/558855550.db2.gz LNFJDFRAURPMIF-WMZHIEFXSA-N 0 1 409.534 2.397 40 0 HEABMN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+]3C3CCOCC3)[n-]c(=O)c2C1 ZINC000019342830 558872183 /nfs/dbraw/zinc/87/21/83/558872183.db2.gz FDLWTHFDXGATGG-QGZVFWFLSA-N 0 1 414.531 2.346 40 0 HEABMN O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@H+]3C3CCOCC3)[n-]c(=O)c2C1 ZINC000019342830 558872187 /nfs/dbraw/zinc/87/21/87/558872187.db2.gz FDLWTHFDXGATGG-QGZVFWFLSA-N 0 1 414.531 2.346 40 0 HEABMN O=C(Cn1cccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019406042 558884830 /nfs/dbraw/zinc/88/48/30/558884830.db2.gz WTEYBRLYVPQACU-HXUWFJFHSA-N 0 1 424.549 2.411 40 0 HEABMN O=C(Cn1cccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCCCC1)CC2 ZINC000019406042 558884833 /nfs/dbraw/zinc/88/48/33/558884833.db2.gz WTEYBRLYVPQACU-HXUWFJFHSA-N 0 1 424.549 2.411 40 0 HEABMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 ZINC000019405560 558884981 /nfs/dbraw/zinc/88/49/81/558884981.db2.gz YBKNKFNRZHDIPD-NSHDSACASA-N 0 1 404.352 2.204 40 0 HEABMN COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)[C@@H]4C[C@@H]4C)C3)[nH]c(=O)c2C1 ZINC000019462762 558894145 /nfs/dbraw/zinc/89/41/45/558894145.db2.gz UBJARVAUGANOPS-RYQLBKOJSA-N 0 1 422.529 2.309 40 0 HEABMN CCN(CC)C(=O)[C@H]1CN(Cc2ccncc2)C[C@@]12CCc1ccccc1C(=O)N2 ZINC000072334368 558935380 /nfs/dbraw/zinc/93/53/80/558935380.db2.gz IENYSLKPAWCDKC-QPPBQGQZSA-N 0 1 406.530 2.497 40 0 HEABMN C[C@H](c1ccc(F)cc1)N1C[C@H](C(=O)N(C)C)[C@@]2(C1)COc1ccccc1C(=O)N2 ZINC000072334347 558935435 /nfs/dbraw/zinc/93/54/35/558935435.db2.gz CBUXAXLAIYBTRO-NFHUAXAMSA-N 0 1 411.477 2.468 40 0 HEABMN COC(=O)[C@]1(CCN2CCOCC2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 ZINC000072340196 558938919 /nfs/dbraw/zinc/93/89/19/558938919.db2.gz PLUCSWSEINOFSF-DXIQSLLYSA-N 0 1 404.482 2.013 40 0 HEABMN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(C(=O)Cc2ccc4nc[nH]c4c2)CC3)C1 ZINC000019654699 558947939 /nfs/dbraw/zinc/94/79/39/558947939.db2.gz PQMOYKYJNRGHHH-CQSZACIVSA-N 0 1 406.490 2.010 40 0 HEABMN COc1ccc(NC(=O)[C@H]2C[C@@H]([C@H](C)O)N[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000064164819 558962065 /nfs/dbraw/zinc/96/20/65/558962065.db2.gz CPLYWWPWWQYOHJ-VFPSJCHESA-N 0 1 415.877 2.494 40 0 HEABMN CCCOc1ccccc1-c1cc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)n[nH]1 ZINC000019715587 558976788 /nfs/dbraw/zinc/97/67/88/558976788.db2.gz JXHGWLPNHSVIRN-UHFFFAOYSA-N 0 1 411.462 2.022 40 0 HEABMN CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000257255145 558994643 /nfs/dbraw/zinc/99/46/43/558994643.db2.gz KGHYGFVOYMMORH-JYJNAYRXSA-N 0 1 405.520 2.452 40 0 HEABMN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000100221440 559132253 /nfs/dbraw/zinc/13/22/53/559132253.db2.gz KGHYGFVOYMMORH-OAGGEKHMSA-N 0 1 405.520 2.452 40 0 HEABMN OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000585294729 559137626 /nfs/dbraw/zinc/13/76/26/559137626.db2.gz IIVVMGMHNZACPQ-LNRXMEIDSA-N 0 1 413.905 2.035 40 0 HEABMN Cc1ccc(C(=O)[O-])cc1N1C(=O)C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000101274440 559144415 /nfs/dbraw/zinc/14/44/15/559144415.db2.gz WOSKMWHRYJFORX-HXUWFJFHSA-N 0 1 407.470 2.143 40 0 HEABMN CCOC(=O)C1C(CSc2ncnn2C)=NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000005018391 560623630 /nfs/dbraw/zinc/62/36/30/560623630.db2.gz VUTLESILHRKHQV-INIZCTEOSA-N 0 1 401.492 2.395 40 0 HEABMN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 ZINC000222744241 568525338 /nfs/dbraw/zinc/52/53/38/568525338.db2.gz XHRKYQCBMMXLMB-UHFFFAOYSA-N 0 1 418.884 2.373 40 0 HEABMN O=C(Nc1nnc(S(=O)(=O)NCCOCc2ccccc2)s1)c1ccccc1 ZINC000225147019 568617704 /nfs/dbraw/zinc/61/77/04/568617704.db2.gz GLRSYLDQDYXTGF-UHFFFAOYSA-N 0 1 418.500 2.286 40 0 HEABMN Cc1ccc(OC[C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1C ZINC000225212428 568623468 /nfs/dbraw/zinc/62/34/68/568623468.db2.gz PENSGMKEEOJCAY-ZDUSSCGKSA-N 0 1 412.537 2.495 40 0 HEABMN CCOC(=O)c1ccc(N2C(=O)C[C@H](Sc3nc(-c4ccncc4)n[nH]3)C2=O)cc1 ZINC000256055706 568774945 /nfs/dbraw/zinc/77/49/45/568774945.db2.gz QEIXMTABWIGBFN-HNNXBMFYSA-N 0 1 423.454 2.468 40 0 HEABMN CNC(=O)c1sc2nc([C@H]3CCCN3C(=O)CN3CCCCC3)ccc2c1N ZINC000257240003 568787486 /nfs/dbraw/zinc/78/74/86/568787486.db2.gz HRRPIPVBZNVBCS-OAHLLOKOSA-N 0 1 401.536 2.388 40 0 HEABMN COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3cccnc3)[C@H](O)[C@H]2N2CCCCC2)c1 ZINC000257251614 568790664 /nfs/dbraw/zinc/79/06/64/568790664.db2.gz JRLOIRVFFXMDPQ-CZYKHXBRSA-N 0 1 411.502 2.255 40 0 HEABMN O=C(Cn1cccn1)N1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000257293427 568802423 /nfs/dbraw/zinc/80/24/23/568802423.db2.gz QPKDBBMTUOWBNO-LJQANCHMSA-N 0 1 417.416 2.106 40 0 HEABMN Cc1ccc2[nH]c(C(=O)[O-])c(C[N@H+]3CCC[C@]4(Cc5c(nc(N)nc5N)O4)CC3)c2c1 ZINC000257302861 568805171 /nfs/dbraw/zinc/80/51/71/568805171.db2.gz SESKNQRIMDCZLY-JOCHJYFZSA-N 0 1 422.489 2.489 40 0 HEABMN CCOc1ccc(-c2cc(C(=O)N3CC[C@H](O)[C@@H](NC(=O)C(C)C)CC3)n[nH]2)cc1 ZINC000257314585 568808616 /nfs/dbraw/zinc/80/86/16/568808616.db2.gz UXPYVJKXNLJKDM-PXNSSMCTSA-N 0 1 414.506 2.213 40 0 HEABMN CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CCN(C(=O)c3ccco3)CC2)O1 ZINC000306127521 568890604 /nfs/dbraw/zinc/89/06/04/568890604.db2.gz GAONVXTWXLNLEE-HXUWFJFHSA-N 0 1 411.502 2.244 40 0 HEABMN Cn1cc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)cn1 ZINC000306129745 568892246 /nfs/dbraw/zinc/89/22/46/568892246.db2.gz ILNYPYIGQQHAJV-IRLDBZIGSA-N 0 1 423.542 2.274 40 0 HEABMN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306132794 568895152 /nfs/dbraw/zinc/89/51/52/568895152.db2.gz LSEZDQOYRQUHQK-JTHBVZDNSA-N 0 1 404.470 2.467 40 0 HEABMN Cn1cc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)cn1 ZINC000306133914 568895819 /nfs/dbraw/zinc/89/58/19/568895819.db2.gz MZDQKQLFWHTJCB-UPVQGACJSA-N 0 1 417.513 2.212 40 0 HEABMN Cc1csc(CN2CCC3(CCn4c3nn(Cc3ccccc3)c(=O)c4=O)CC2)n1 ZINC000306138457 568900384 /nfs/dbraw/zinc/90/03/84/568900384.db2.gz RXVVVMFNSPFGBK-UHFFFAOYSA-N 0 1 423.542 2.156 40 0 HEABMN CN(C)c1nc(N2CCOCC2)ncc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000224346958 569059534 /nfs/dbraw/zinc/05/95/34/569059534.db2.gz NXOHFRVSSANDLX-UHFFFAOYSA-N 0 1 413.503 2.333 40 0 HEABMN CC[C@@H](C)Nc1nc(C(C)C)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 ZINC000329068708 571309109 /nfs/dbraw/zinc/30/91/09/571309109.db2.gz YSGHTSQSSZCNBD-CQSZACIVSA-N 0 1 403.552 3.021 40 0 HEABMN COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2OC)nc(C)n1 ZINC000008622928 291206263 /nfs/dbraw/zinc/20/62/63/291206263.db2.gz CYYHHSFTAGBNEM-SCTDSRPQSA-N 0 1 410.518 2.401 40 0 biogenic,in-vitro HEABMN Cn1nc(-c2ccccc2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)N1CCOCC1 ZINC000008635319 291210963 /nfs/dbraw/zinc/21/09/63/291210963.db2.gz JOSYROTUUZLKCK-ZCNNSNEGSA-N 0 1 409.534 2.307 40 0 biogenic,in-vitro HEABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccccc2)c1 ZINC000408576349 557479660 /nfs/dbraw/zinc/47/96/60/557479660.db2.gz XLHZCWSPLQFQBC-UHFFFAOYSA-N 0 1 412.515 2.352 40 0 HEABMN COc1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@H]3C[C@H](O)[C@H](OC)[C@H](C(=O)[O-])[C@@H]3C[C@@H]12 ZINC000005015168 557625864 /nfs/dbraw/zinc/62/58/64/557625864.db2.gz JVHNBFFHWQQPLL-CFHVLBNDSA-N 0 1 400.475 2.192 40 0 in-vitro HEABMN COc1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@H]3C[C@H](O)[C@H](OC)[C@H](C(=O)[O-])[C@@H]3C[C@@H]12 ZINC000005015168 557625867 /nfs/dbraw/zinc/62/58/67/557625867.db2.gz JVHNBFFHWQQPLL-CFHVLBNDSA-N 0 1 400.475 2.192 40 0 in-vitro HEABMN CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2Cc2ccc(O)cc2)C(=O)Nc2ccccc21 ZINC000008970936 557816770 /nfs/dbraw/zinc/81/67/70/557816770.db2.gz ILADSGPWFWVNAD-AZXNSQLWSA-N 0 1 419.481 2.155 40 0 HEABMN COc1cccc(CNC(=O)c2cnc([C@H]3CCN(Cc4cnn(C)c4)C3)nc2C)c1 ZINC000019753832 558273051 /nfs/dbraw/zinc/27/30/51/558273051.db2.gz SUIACDBANOTBHC-IBGZPJMESA-N 0 1 420.517 2.447 40 0 HEABMN CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OCC)ccc1OC ZINC000013680625 558566402 /nfs/dbraw/zinc/56/64/02/558566402.db2.gz JRYHHHYPOOWZTD-UHFFFAOYSA-N 0 1 406.460 2.422 40 0 HEABMN O=C([C@@H]1CCCO1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019014894 558836958 /nfs/dbraw/zinc/83/69/58/558836958.db2.gz ZEAJTFDOYZDYTO-KXBFYZLASA-N 0 1 400.523 2.368 40 0 HEABMN Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(Cc3cnn(C)c3)CC2)on1 ZINC000019123284 558844040 /nfs/dbraw/zinc/84/40/40/558844040.db2.gz CWCXCERCIZRYNJ-UHFFFAOYSA-N 0 1 423.521 2.390 40 0 HEABMN O=C(CCn1cccn1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019406080 558884963 /nfs/dbraw/zinc/88/49/63/558884963.db2.gz AZJGONYILZASJX-QGZVFWFLSA-N 0 1 424.549 2.063 40 0 HEABMN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000019448261 558887216 /nfs/dbraw/zinc/88/72/16/558887216.db2.gz VTJCLEDPELEUOK-HXUWFJFHSA-N 0 1 410.518 2.451 40 0 HEABMN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)cc1 ZINC000019448261 558887218 /nfs/dbraw/zinc/88/72/18/558887218.db2.gz VTJCLEDPELEUOK-HXUWFJFHSA-N 0 1 410.518 2.451 40 0 HEABMN COc1ccccc1OCCc1cc([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n[nH]1 ZINC000072371646 558958793 /nfs/dbraw/zinc/95/87/93/558958793.db2.gz RHPKFTAXNXDPRW-MRXNPFEDSA-N 0 1 422.485 2.368 40 0 HEABMN COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4ccc(=O)n(C)c4)C3)n[nH]2)cc1 ZINC000072371647 558958797 /nfs/dbraw/zinc/95/87/97/558958797.db2.gz DLEDNUZSPXFRRU-INIZCTEOSA-N 0 1 422.485 2.368 40 0 HEABMN COCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)c2ccn[nH]2)CCO1 ZINC000019695774 558964142 /nfs/dbraw/zinc/96/41/42/558964142.db2.gz NPVKWPIRECMZMB-HNNXBMFYSA-N 0 1 414.487 2.214 40 0 HEABMN O=C(CN1CCOCC1)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000072378338 558967554 /nfs/dbraw/zinc/96/75/54/558967554.db2.gz COVGDGKPLWQSFM-LJQANCHMSA-N 0 1 402.470 2.166 40 0 HEABMN O=C(NCC(F)(F)F)[C@@H]1CN(Cc2ncc(C(F)(F)F)[nH]2)CC12CCOCC2 ZINC000585101910 559025062 /nfs/dbraw/zinc/02/50/62/559025062.db2.gz IZEYTBHKTNTPMD-JTQLQIEISA-N 0 1 414.350 2.336 40 0 HEABMN COc1ccccc1CN(C)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286119 559121842 /nfs/dbraw/zinc/12/18/42/559121842.db2.gz VWCDFLFUTKUVCD-RBBKRZOGSA-N 0 1 418.921 2.419 40 0 HEABMN Cn1cccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 ZINC000257212394 559282558 /nfs/dbraw/zinc/28/25/58/559282558.db2.gz CDFWBGBAZNILLY-KIFXHHALSA-N 0 1 411.546 2.329 40 0 HEABMN O=C(OC1C(=O)N(c2cccnc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409301960 560708078 /nfs/dbraw/zinc/70/80/78/560708078.db2.gz DQFDPWDUQLLEBU-OALUTQOASA-N 0 1 416.389 2.406 40 0 HEABMN O=C(O[C@@H]1C(=O)N(c2cccnc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409301960 560708080 /nfs/dbraw/zinc/70/80/80/560708080.db2.gz DQFDPWDUQLLEBU-OALUTQOASA-N 0 1 416.389 2.406 40 0 HEABMN COC(=O)[C@H]1c2sc(=O)[nH]c2S[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000101174772 560728229 /nfs/dbraw/zinc/72/82/29/560728229.db2.gz NENBHCDKYAJCPI-FXPVBKGRSA-N 0 1 410.860 2.010 40 0 HEABMN CCCCNC(=O)CN1CCC(c2cc3nc(N(CC)CC)ncc3c(=O)[nH]2)CC1 ZINC000057775405 568497492 /nfs/dbraw/zinc/49/74/92/568497492.db2.gz FUOPOWPFZHTSAR-UHFFFAOYSA-N 0 1 414.554 2.260 40 0 HEABMN CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC(=O)OCC)cc2)c1 ZINC000223016746 568534364 /nfs/dbraw/zinc/53/43/64/568534364.db2.gz DGHHVCWXWUHMKF-UHFFFAOYSA-N 0 1 420.487 2.351 40 0 HEABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccco2)s1 ZINC000223702801 568556703 /nfs/dbraw/zinc/55/67/03/568556703.db2.gz UYLDIDFSGMICKT-UHFFFAOYSA-N 0 1 404.539 2.327 40 0 HEABMN O=C(Nc1nnc(S(=O)(=O)NCc2ccccn2)s1)c1ccc(Cl)cc1 ZINC000223896141 568562345 /nfs/dbraw/zinc/56/23/45/568562345.db2.gz AYRMXKQNVYNJHO-UHFFFAOYSA-N 0 1 409.880 2.317 40 0 HEABMN COC[C@H](C)NC(=O)CN1CCC2(CC1)CC=CCN(CCc1ccccc1)C2=O ZINC000257203580 568777101 /nfs/dbraw/zinc/77/71/01/568777101.db2.gz AQTFBNWFDYYVGX-FQEVSTJZSA-N 0 1 413.562 2.251 40 0 HEABMN CCN(CC)C(=O)c1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000257267014 568794818 /nfs/dbraw/zinc/79/48/18/568794818.db2.gz MFPFXUNULOBCME-OAHLLOKOSA-N 0 1 420.535 2.469 40 0 HEABMN COc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N3CCCC3)C2)cc1 ZINC000257279463 568798361 /nfs/dbraw/zinc/79/83/61/568798361.db2.gz OGTQXBRZIKIOMY-OAHLLOKOSA-N 0 1 418.519 2.223 40 0 HEABMN O=C(Cn1cccn1)N1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000257293426 568802457 /nfs/dbraw/zinc/80/24/57/568802457.db2.gz QPKDBBMTUOWBNO-IBGZPJMESA-N 0 1 417.416 2.106 40 0 HEABMN CN1CCN(C(=O)C(C)(c2ccccc2)c2ccccc2)C[C@](O)(Cn2cccn2)C1 ZINC000257327370 568812506 /nfs/dbraw/zinc/81/25/06/568812506.db2.gz XBBWXRVHADDXNX-VWLOTQADSA-N 0 1 418.541 2.394 40 0 HEABMN COc1ccccc1CN1CCOC[C@]2(CC[C@@H](CNC(=O)c3cccnc3)O2)C1 ZINC000306125772 568888618 /nfs/dbraw/zinc/88/86/18/568888618.db2.gz DBVZISPYSRIZPL-REWPJTCUSA-N 0 1 411.502 2.270 40 0 HEABMN CN1C[C@@H](C(=O)NCc2ccc(F)cc2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306144660 568906059 /nfs/dbraw/zinc/90/60/59/568906059.db2.gz ZLKATQAKCHGKLR-IBGZPJMESA-N 0 1 415.465 2.041 40 0 HEABMN Nc1cccc(-c2cn(C[C@H]3C[C@H]4CC[N@H+]3C[C@@H]4C(=O)NCc3ccco3)nn2)c1 ZINC000008253929 568985344 /nfs/dbraw/zinc/98/53/44/568985344.db2.gz HTHYRPLAJHTJSZ-ZTNFWEORSA-N 0 1 406.490 2.147 40 0 biogenic,in-vitro HEABMN CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1 ZINC000224323192 569057313 /nfs/dbraw/zinc/05/73/13/569057313.db2.gz ABUGXCSNBRSPQB-UHFFFAOYSA-N 0 1 412.494 2.066 40 0 HEABMN CC(C)[N@H+]1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)[C@H]4CCCO4)[n-]n3c2=O)C1 ZINC000248172755 569316692 /nfs/dbraw/zinc/31/66/92/569316692.db2.gz SYPXEONJZDDMNS-RBUKOAKNSA-N 0 1 413.522 2.434 40 0 HEABMN COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCN(C(=O)CN(C)C)C3)ccc12 ZINC000019705140 569347861 /nfs/dbraw/zinc/34/78/61/569347861.db2.gz YJBVSJNGLLKRHQ-MRXNPFEDSA-N 0 1 408.506 2.456 40 0 HEABMN COCCOc1ncccc1-c1noc([C@@H]2CCCN2C2CCN(C(C)=O)CC2)n1 ZINC000035424954 291206614 /nfs/dbraw/zinc/20/66/14/291206614.db2.gz UCJFDHMXUHQVQO-SFHVURJKSA-N 0 1 415.494 2.305 40 0 biogenic,in-vitro HEABMN O=C(Cn1cccc(C(=O)NCc2ccccc2)c1=O)Nc1ccc2nc[nH]c2c1 ZINC000019750350 558270246 /nfs/dbraw/zinc/27/02/46/558270246.db2.gz NHJOCWCTJNJGPP-UHFFFAOYSA-N 0 1 401.426 2.293 40 0 HEABMN COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)c3ccn[nH]3)CC2)cc1 ZINC000019759320 558275644 /nfs/dbraw/zinc/27/56/44/558275644.db2.gz UQJQMJJEOODVPZ-UHFFFAOYSA-N 0 1 422.489 2.499 40 0 HEABMN CCc1n[nH]c(C(=O)N[C@H]2C[C@H]3CCN(S(=O)(=O)c4ccc(C)cc4)[C@H]32)c1C ZINC000012088249 558322886 /nfs/dbraw/zinc/32/28/86/558322886.db2.gz LRUCNPRHHTVTSW-DKSSEZFCSA-N 0 1 402.520 2.170 40 0 HEABMN COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000020036597 558325166 /nfs/dbraw/zinc/32/51/66/558325166.db2.gz GLUZKFVDOURPNG-UHFFFAOYSA-N 0 1 414.480 2.420 40 0 HEABMN CCN1C(=O)[C@H](c2ccc(F)cc2)C2(CCN(CC(=O)N3CCCCC3)CC2)C1=O ZINC000012115846 558328002 /nfs/dbraw/zinc/32/80/02/558328002.db2.gz XALFLSJSYUFWRE-FQEVSTJZSA-N 0 1 415.509 2.393 40 0 HEABMN COC(=O)[C@@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccccc1)O[C@@H]2c1ccccc1 ZINC000017175883 558824866 /nfs/dbraw/zinc/82/48/66/558824866.db2.gz WXHWUFKLCLYPBR-XUFREYRYSA-N 0 1 423.465 2.333 40 0 HEABMN O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014478 558836601 /nfs/dbraw/zinc/83/66/01/558836601.db2.gz PJHRBTUYFGMKHG-UZLBHIALSA-N 0 1 412.534 2.327 40 0 HEABMN O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014478 558836604 /nfs/dbraw/zinc/83/66/04/558836604.db2.gz PJHRBTUYFGMKHG-UZLBHIALSA-N 0 1 412.534 2.327 40 0 HEABMN O=C([C@@H]1CCCO1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019014891 558836948 /nfs/dbraw/zinc/83/69/48/558836948.db2.gz ZEAJTFDOYZDYTO-BEFAXECRSA-N 0 1 400.523 2.368 40 0 HEABMN Cn1nccc1CN1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 ZINC000019289232 558862115 /nfs/dbraw/zinc/86/21/15/558862115.db2.gz ALYHRFNVUDBJKY-IBGZPJMESA-N 0 1 419.533 2.488 40 0 HEABMN O=C(c1cccnc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019337363 558870386 /nfs/dbraw/zinc/87/03/86/558870386.db2.gz XTJVCWHOLFKIFW-KRWDZBQOSA-N 0 1 407.518 2.485 40 0 HEABMN CC(C)[N@@H+]1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccccc3)[n-]c(=O)c2C1 ZINC000019448206 558887022 /nfs/dbraw/zinc/88/70/22/558887022.db2.gz RMSRTAHRCAQJTN-LJQANCHMSA-N 0 1 416.547 2.452 40 0 HEABMN CC(C)[N@H+]1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccccc3)[n-]c(=O)c2C1 ZINC000019448206 558887025 /nfs/dbraw/zinc/88/70/25/558887025.db2.gz RMSRTAHRCAQJTN-LJQANCHMSA-N 0 1 416.547 2.452 40 0 HEABMN CC(C)N1CCc2nc3cc(C(=O)N4CCCC[C@@H]4CCO)ccc3c(=O)n2CC1 ZINC000019448601 558887351 /nfs/dbraw/zinc/88/73/51/558887351.db2.gz PRRXDRCZLBNZDZ-GOSISDBHSA-N 0 1 412.534 2.040 40 0 HEABMN CCOc1ccc(C[N@@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cc1OC ZINC000019533918 558913566 /nfs/dbraw/zinc/91/35/66/558913566.db2.gz BESOCSHJVAAQQK-UHFFFAOYSA-N 0 1 407.474 2.235 40 0 HEABMN CCOc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cc1OC ZINC000019533918 558913568 /nfs/dbraw/zinc/91/35/68/558913568.db2.gz BESOCSHJVAAQQK-UHFFFAOYSA-N 0 1 407.474 2.235 40 0 HEABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2ccnc(N3CCOCC3)c2)cc1 ZINC000019554006 558917047 /nfs/dbraw/zinc/91/70/47/558917047.db2.gz FERUYCBQQDPTPP-QFIPXVFZSA-N 0 1 419.485 2.438 40 0 HEABMN COCCc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1 ZINC000019593844 558945092 /nfs/dbraw/zinc/94/50/92/558945092.db2.gz LFYPOIDUTYOSDT-GOSISDBHSA-N 0 1 412.538 2.119 40 0 HEABMN Cc1nn([C@H](C)C(=O)N2CCC(CCN3CCOCC3)CC2)c(=O)c2ccccc12 ZINC000019656633 558949412 /nfs/dbraw/zinc/94/94/12/558949412.db2.gz DFNPQTXBBRMVTF-GOSISDBHSA-N 0 1 412.534 2.227 40 0 HEABMN NC(=O)C1CCN(C(=O)CN2CCC[C@H](c3ccc(-c4ccccn4)cn3)C2)CC1 ZINC000019688737 558958169 /nfs/dbraw/zinc/95/81/69/558958169.db2.gz MFNCMEALODUCMY-IBGZPJMESA-N 0 1 407.518 2.047 40 0 HEABMN Cc1nc(C)n(CC(=O)N2CC[C@@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)n1 ZINC000072371620 558958723 /nfs/dbraw/zinc/95/87/23/558958723.db2.gz HMUOSHPQULVCAT-MRXNPFEDSA-N 0 1 412.469 2.395 40 0 HEABMN O=C(NC1CC(F)(F)C1)C1=NO[C@@]2(C1)CCCN(Cc1ncc(C(F)(F)F)[nH]1)C2 ZINC000585101251 559024686 /nfs/dbraw/zinc/02/46/86/559024686.db2.gz RFEOPHBJMDAEGU-OAHLLOKOSA-N 0 1 421.370 2.453 40 0 HEABMN CC(C)c1ccc(S(=O)(=O)N2CCC3(C[C@H](N4CCN(C)CC4)CO3)CC2)cc1 ZINC000096220841 559101993 /nfs/dbraw/zinc/10/19/93/559101993.db2.gz LRSJEZCPBLQORY-FQEVSTJZSA-N 0 1 421.607 2.370 40 0 HEABMN CCN(Cc1ccncc1)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585285622 559121674 /nfs/dbraw/zinc/12/16/74/559121674.db2.gz RBDKPBQQCWQTKL-PZJWPPBQSA-N 0 1 403.910 2.195 40 0 HEABMN Cc1[nH]nc2c1[C@@H](c1cnn(C)c1)c1c3nc(-c4cc(C5CC5)n[nH]4)nn3cnc1O2 ZINC000017089807 559122696 /nfs/dbraw/zinc/12/26/96/559122696.db2.gz QGINNQSODIBWGF-OAHLLOKOSA-N 0 1 414.433 2.443 40 0 HEABMN Cn1cccc1C(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257212395 559282538 /nfs/dbraw/zinc/28/25/38/559282538.db2.gz CDFWBGBAZNILLY-ODGPQVTHSA-N 0 1 411.546 2.329 40 0 HEABMN Cc1ncc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)cn1 ZINC000257315939 559282835 /nfs/dbraw/zinc/28/28/35/559282835.db2.gz VDJYJYXZOFISOL-WPFOTENUSA-N 0 1 424.545 2.089 40 0 HEABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000013573230 560814467 /nfs/dbraw/zinc/81/44/67/560814467.db2.gz NVVBORDBMCXQLB-CVCAGPEBSA-N 0 1 405.495 2.098 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414.510 2.338 40 0 biogenic,in-vitro HEABMN COCCNc1ncccc1-c1noc([C@@H]2CCCN2C2CCN(C(C)=O)CC2)n1 ZINC000035424848 291206498 /nfs/dbraw/zinc/20/64/98/291206498.db2.gz QUKRMCKZNZEONP-SFHVURJKSA-N 0 1 414.510 2.338 40 0 biogenic,in-vitro HEABMN COc1ccc(CN2CCC(O)(c3csc(CN4CCOCC4)n3)CC2)cc1 ZINC000225467620 291208259 /nfs/dbraw/zinc/20/82/59/291208259.db2.gz BZYMLNMUFZXDIY-UHFFFAOYSA-N 0 1 403.548 2.468 40 0 biogenic,in-vitro HEABMN O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCCC2)[C@H]1O ZINC000012529627 291212592 /nfs/dbraw/zinc/21/25/92/291212592.db2.gz ALBXZCZLFKTYMJ-OVYGPGRDSA-N 0 1 415.412 2.166 40 0 biogenic,in-vitro HEABMN CCc1n[nH]c(-n2ccc3c(nnc4c(-c5ccc(OC)cc5)c(CC)nn43)c2=O)n1 ZINC000040372808 522721403 /nfs/dbraw/zinc/72/14/03/522721403.db2.gz WIPXVENTBMBDEN-UHFFFAOYSA-N 0 1 416.445 2.347 40 0 HEABMN CCc1nc(-n2ccc3c(nnc4c(-c5ccc(OC)cc5)c(CC)nn43)c2=O)n[nH]1 ZINC000040372808 522721410 /nfs/dbraw/zinc/72/14/10/522721410.db2.gz WIPXVENTBMBDEN-UHFFFAOYSA-N 0 1 416.445 2.347 40 0 HEABMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nnn(CC)n2)cc1 ZINC000004217923 557529670 /nfs/dbraw/zinc/52/96/70/557529670.db2.gz NBINAPKEBRORKE-UHFFFAOYSA-N 0 1 401.448 2.338 40 0 HEABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)c1 ZINC000408625390 557557882 /nfs/dbraw/zinc/55/78/82/557557882.db2.gz SLNORKVVZIDVJB-UHFFFAOYSA-N 0 1 420.487 2.285 40 0 HEABMN Cc1ccc(C(=O)[O-])cc1N1C(=O)C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000023476894 558559212 /nfs/dbraw/zinc/55/92/12/558559212.db2.gz WOSKMWHRYJFORX-FQEVSTJZSA-N 0 1 407.470 2.143 40 0 HEABMN O=C(C(=O)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C1)c1cccs1 ZINC000019375615 558881758 /nfs/dbraw/zinc/88/17/58/558881758.db2.gz SNPFWNNFNGWLPP-LBPRGKRZSA-N 0 1 403.485 2.192 40 0 HEABMN CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019528601 558909956 /nfs/dbraw/zinc/90/99/56/558909956.db2.gz BGFZSLOXVZFWBD-QHCPKHFHSA-N 0 1 418.501 2.468 40 0 HEABMN COc1ccc2c(c1)c(CN1CCN(CCOc3ccccc3)CC1)cn2CC(N)=O ZINC000019563253 558923424 /nfs/dbraw/zinc/92/34/24/558923424.db2.gz OSLSZVMHRRBDDR-UHFFFAOYSA-N 0 1 422.529 2.332 40 0 HEABMN CNC(=O)c1cnc(C)nc1CCNC(=O)[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000019697296 558964855 /nfs/dbraw/zinc/96/48/55/558964855.db2.gz OAIAZZRIGYGRME-OAQYLSRUSA-N 0 1 409.534 2.277 40 0 HEABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000019708716 558971033 /nfs/dbraw/zinc/97/10/33/558971033.db2.gz FMAMXNFFTAOXJI-CQSZACIVSA-N 0 1 419.526 2.214 40 0 HEABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 ZINC000019710299 558972083 /nfs/dbraw/zinc/97/20/83/558972083.db2.gz YLFNODMAJUUHKF-OAHLLOKOSA-N 0 1 401.536 2.075 40 0 HEABMN CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)[C@@H](N)Cc3ccccc3)C[C@@H]12 ZINC000072395498 558974301 /nfs/dbraw/zinc/97/43/01/558974301.db2.gz WLDWUZRZHWYURE-ROKPMTFOSA-N 0 1 405.498 2.132 40 0 HEABMN CN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000019718993 558982615 /nfs/dbraw/zinc/98/26/15/558982615.db2.gz JSUHGVCZDAJDSW-UHFFFAOYSA-N 0 1 406.895 2.326 40 0 HEABMN CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCC(F)(F)F)cn21 ZINC000096156795 559100713 /nfs/dbraw/zinc/10/07/13/559100713.db2.gz BQRFRKXZVDAMJE-MRXNPFEDSA-N 0 1 424.471 2.499 40 0 HEABMN CC(C)c1ccc(S(=O)(=O)N2CCC3(C[C@@H](N4CCN(C)CC4)CO3)CC2)cc1 ZINC000096220844 559102052 /nfs/dbraw/zinc/10/20/52/559102052.db2.gz LRSJEZCPBLQORY-HXUWFJFHSA-N 0 1 421.607 2.370 40 0 HEABMN CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000585262438 559111058 /nfs/dbraw/zinc/11/10/58/559111058.db2.gz JLDAJGDBTPIHCQ-CZYKHXBRSA-N 0 1 424.476 2.360 40 0 HEABMN Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1NS(C)(=O)=O ZINC000113941945 559182583 /nfs/dbraw/zinc/18/25/83/559182583.db2.gz YRXDGWAUTQOLBU-UHFFFAOYSA-N 0 1 402.520 2.371 40 0 HEABMN COC(=O)C1C(CSc2nnc(N)s2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000004436491 560606863 /nfs/dbraw/zinc/60/68/63/560606863.db2.gz GCXMKMCFXGABBD-CYBMUJFWSA-N 0 1 405.505 2.310 40 0 HEABMN C=C1N=C(SCC(=O)OC)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408991644 560662284 /nfs/dbraw/zinc/66/22/84/560662284.db2.gz QUHNHWRIXSUWJP-KRWDZBQOSA-N 0 1 408.476 2.447 40 0 HEABMN O=C(OC1C(=O)N(c2ccncc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409305632 560708916 /nfs/dbraw/zinc/70/89/16/560708916.db2.gz NFWRRDJVZUFUMR-RTBURBONSA-N 0 1 416.389 2.406 40 0 HEABMN O=C(O[C@H]1C(=O)N(c2ccncc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409305632 560708918 /nfs/dbraw/zinc/70/89/18/560708918.db2.gz NFWRRDJVZUFUMR-RTBURBONSA-N 0 1 416.389 2.406 40 0 HEABMN CCCCCCN1CC2(C1)CN(C(=O)c1ccc(OC)cc1)C[C@@H]1COCCN12 ZINC000604381956 568489234 /nfs/dbraw/zinc/48/92/34/568489234.db2.gz WPNKGZGJXHGHRD-HXUWFJFHSA-N 0 1 401.551 2.487 40 0 biogenic,in-vitro HEABMN CNS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000223007897 568534081 /nfs/dbraw/zinc/53/40/81/568534081.db2.gz YSSWOFIOZUEISM-UHFFFAOYSA-N 0 1 404.897 2.366 40 0 HEABMN CCOc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000223860086 568561185 /nfs/dbraw/zinc/56/11/85/568561185.db2.gz BIAQRRXGAPSCFX-UHFFFAOYSA-N 0 1 412.537 2.442 40 0 HEABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)s1 ZINC000224723103 568593672 /nfs/dbraw/zinc/59/36/72/568593672.db2.gz UAVFUUHHVIZOLL-NSHDSACASA-N 0 1 414.509 2.333 40 0 HEABMN CN(CCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 ZINC000225227506 568624630 /nfs/dbraw/zinc/62/46/30/568624630.db2.gz QFLVRPOBJBEZRI-UHFFFAOYSA-N 0 1 417.516 2.205 40 0 HEABMN CNC(=O)c1sc2nc([C@@]3(C)CCCN(C(=O)CN4CCCC4)C3)ccc2c1N ZINC000257258325 568792504 /nfs/dbraw/zinc/79/25/04/568792504.db2.gz KTIJSOAPMJAKSH-NRFANRHFSA-N 0 1 415.563 2.214 40 0 HEABMN O=C(CCCc1nc2ccc(F)cc2[nH]1)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1 ZINC000257285637 568800221 /nfs/dbraw/zinc/80/02/21/568800221.db2.gz PICGQLQJQISWLW-IFXJQAMLSA-N 0 1 422.464 2.129 40 0 HEABMN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCC(O)CC1 ZINC000257304873 568805958 /nfs/dbraw/zinc/80/59/58/568805958.db2.gz SNMCDQIWBZNULR-YRXWBPOGSA-N 0 1 410.486 2.056 40 0 HEABMN Cn1cc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)cn1 ZINC000306129744 568892315 /nfs/dbraw/zinc/89/23/15/568892315.db2.gz ILNYPYIGQQHAJV-IFMALSPDSA-N 0 1 423.542 2.274 40 0 HEABMN O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CCN(Cc3ccsc3)C1)C2 ZINC000306132962 568895186 /nfs/dbraw/zinc/89/51/86/568895186.db2.gz LXPDAFYZVZBHSF-OAQYLSRUSA-N 0 1 416.547 2.222 40 0 HEABMN O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306141369 568903078 /nfs/dbraw/zinc/90/30/78/568903078.db2.gz VTDSFOBHQAYXQL-UPVQGACJSA-N 0 1 415.497 2.269 40 0 HEABMN COc1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@H]3C[C@@H](O)[C@H](OC)[C@@H](C(=O)[O-])[C@H]3C[C@H]12 ZINC000004245692 291209086 /nfs/dbraw/zinc/20/90/86/291209086.db2.gz JVHNBFFHWQQPLL-WOXROFTLSA-N 0 1 400.475 2.192 40 0 biogenic,in-vitro HEABMN COc1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@H]3C[C@@H](O)[C@H](OC)[C@@H](C(=O)[O-])[C@H]3C[C@H]12 ZINC000004245692 291209087 /nfs/dbraw/zinc/20/90/87/291209087.db2.gz JVHNBFFHWQQPLL-WOXROFTLSA-N 0 1 400.475 2.192 40 0 biogenic,in-vitro HEABMN O=C(CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1CCc2[nH]c3ccccc3c2C1 ZINC000002126679 557316208 /nfs/dbraw/zinc/31/62/08/557316208.db2.gz KYJQSBPGHQUQST-SJORKVTESA-N 0 1 402.498 2.334 40 0 HEABMN O[C@H](c1nc2ccc(Cl)cc2[nH]1)[C@@H](O)[C@@H](O)[C@H](O)c1nc2cc(Cl)ccc2[nH]1 ZINC000004878726 557609287 /nfs/dbraw/zinc/60/92/87/557609287.db2.gz VRQXLMDQURXILG-FZKCQIBNSA-N 0 1 423.256 2.235 40 0 HEABMN O[C@H](c1nc2cc(Cl)ccc2[nH]1)[C@@H](O)[C@@H](O)[C@H](O)c1nc2ccc(Cl)cc2[nH]1 ZINC000004878726 557609289 /nfs/dbraw/zinc/60/92/89/557609289.db2.gz VRQXLMDQURXILG-FZKCQIBNSA-N 0 1 423.256 2.235 40 0 HEABMN CCCCN1C(=O)[C@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O ZINC000008970938 557816849 /nfs/dbraw/zinc/81/68/49/557816849.db2.gz ILADSGPWFWVNAD-KCOOYEKVSA-N 0 1 419.481 2.155 40 0 HEABMN O=c1[nH]c2ccc(Cl)cc2c(N[C@H]2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 ZINC000035848899 558261650 /nfs/dbraw/zinc/26/16/50/558261650.db2.gz VBIIUHUSFOLTIU-IBGZPJMESA-N 0 1 419.916 2.041 40 0 in-vitro HEABMN COc1ccccc1C1(O)CCN(Cc2ccc(OCC(N)=O)c(OC)c2)CC1 ZINC000012293002 558366004 /nfs/dbraw/zinc/36/60/04/558366004.db2.gz NKKHPFLKBNLLPL-UHFFFAOYSA-N 0 1 400.475 2.052 40 0 HEABMN COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1 ZINC000022515961 558493980 /nfs/dbraw/zinc/49/39/80/558493980.db2.gz IAQQPZUFXVHWGQ-UHFFFAOYSA-N 0 1 414.505 2.191 40 0 HEABMN CCN(CC)Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3C)o1 ZINC000036734990 558801482 /nfs/dbraw/zinc/80/14/82/558801482.db2.gz GGMOWFXLVIZHOH-UHFFFAOYSA-N 0 1 411.506 2.329 40 0 HEABMN O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014476 558836557 /nfs/dbraw/zinc/83/65/57/558836557.db2.gz PJHRBTUYFGMKHG-OXJNMPFZSA-N 0 1 412.534 2.327 40 0 HEABMN O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014476 558836558 /nfs/dbraw/zinc/83/65/58/558836558.db2.gz PJHRBTUYFGMKHG-OXJNMPFZSA-N 0 1 412.534 2.327 40 0 HEABMN O=C([C@@H]1CCOC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014807 558836911 /nfs/dbraw/zinc/83/69/11/558836911.db2.gz BEXGEKOKCRXIII-YLJYHZDGSA-N 0 1 414.550 2.408 40 0 HEABMN O=C([C@@H]1CCOC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014807 558836913 /nfs/dbraw/zinc/83/69/13/558836913.db2.gz BEXGEKOKCRXIII-YLJYHZDGSA-N 0 1 414.550 2.408 40 0 HEABMN CN(c1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O ZINC000055416790 558881287 /nfs/dbraw/zinc/88/12/87/558881287.db2.gz JCTCKUZOQXOCNN-UHFFFAOYSA-N 0 1 402.520 2.087 40 0 HEABMN CCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4cnn(CC)c4)C3)[nH]c(=O)c2C1 ZINC000019501603 558899627 /nfs/dbraw/zinc/89/96/27/558899627.db2.gz FOBIOOBIKIRSPW-KRWDZBQOSA-N 0 1 412.538 2.051 40 0 HEABMN CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cnc(C)nc2)C3)c(OCC)n1 ZINC000019531665 558912146 /nfs/dbraw/zinc/91/21/46/558912146.db2.gz LQKQYZVVEYUZOT-VSOVRNOCSA-N 0 1 413.522 2.492 40 0 HEABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2ccnc(N3CCOCC3)c2)cc1 ZINC000019554009 558916952 /nfs/dbraw/zinc/91/69/52/558916952.db2.gz FERUYCBQQDPTPP-JOCHJYFZSA-N 0 1 419.485 2.438 40 0 HEABMN COc1ccc(OCCN2CCN(Cc3cn(CC(N)=O)c4ccccc34)CC2)cc1 ZINC000019556865 558919283 /nfs/dbraw/zinc/91/92/83/558919283.db2.gz JNBFQSZYTFQELW-UHFFFAOYSA-N 0 1 422.529 2.332 40 0 HEABMN Cc1c(CN2[C@@H]3CC[C@@H](C3)[C@H]2c2nc(-c3ccccc3)no2)c(=O)n(C)c(=O)n1C ZINC000019577081 558932970 /nfs/dbraw/zinc/93/29/70/558932970.db2.gz RMFSXZKJZRHDES-JZXOWHBKSA-N 0 1 407.474 2.168 40 0 HEABMN CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019579245 558934929 /nfs/dbraw/zinc/93/49/29/558934929.db2.gz LMDSYUZIFSKLTR-HSZRJFAPSA-N 0 1 418.501 2.420 40 0 HEABMN CN1CCC(N(C[C@@H]2CCCO2)S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 ZINC000019588121 558940057 /nfs/dbraw/zinc/94/00/57/558940057.db2.gz CZZQMHMYAIKYKW-KRWDZBQOSA-N 0 1 406.504 2.057 40 0 HEABMN Cc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)N(C)C)nc(N2CCOCC2)n1 ZINC000019660376 558951602 /nfs/dbraw/zinc/95/16/02/558951602.db2.gz BKVDZGTYBVUMBA-GOSISDBHSA-N 0 1 403.914 2.308 40 0 HEABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2nc3ccccc3n(C)c2=O)cc1 ZINC000019666412 558956308 /nfs/dbraw/zinc/95/63/08/558956308.db2.gz CGBBHGWHAZCEGR-NRFANRHFSA-N 0 1 415.453 2.453 40 0 HEABMN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2C(=O)CN2CCCC2)n1 ZINC000019689375 558958826 /nfs/dbraw/zinc/95/88/26/558958826.db2.gz UYVIDCWJCCVMBH-IBGZPJMESA-N 0 1 422.533 2.068 40 0 HEABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000019708717 558971214 /nfs/dbraw/zinc/97/12/14/558971214.db2.gz FMAMXNFFTAOXJI-AWEZNQCLSA-N 0 1 419.526 2.214 40 0 HEABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(=O)COc1ccc(F)cc1)CC2 ZINC000019710312 558972203 /nfs/dbraw/zinc/97/22/03/558972203.db2.gz RWOYWRVICKNUKY-HNNXBMFYSA-N 0 1 413.497 2.430 40 0 HEABMN O=C(NC1CC(F)(F)C1)C1=NO[C@]2(C1)CCCN(Cc1ncc(C(F)(F)F)[nH]1)C2 ZINC000585101250 559024656 /nfs/dbraw/zinc/02/46/56/559024656.db2.gz RFEOPHBJMDAEGU-HNNXBMFYSA-N 0 1 421.370 2.453 40 0 HEABMN CC[C@@H](CO)NC(=O)c1cnc(-c2noc3cc(N4CCN(C)CC4)ccc32)s1 ZINC000096154615 559098991 /nfs/dbraw/zinc/09/89/91/559098991.db2.gz QMWNSMCFPRDFTO-ZDUSSCGKSA-N 0 1 415.519 2.204 40 0 HEABMN O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)c1cccnc1 ZINC000257237846 559284064 /nfs/dbraw/zinc/28/40/64/559284064.db2.gz HILWGXGRZPCAPA-WPFOTENUSA-N 0 1 409.530 2.385 40 0 HEABMN CCOc1ccccc1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000224189671 568573054 /nfs/dbraw/zinc/57/30/54/568573054.db2.gz SILPVQAALJMAMM-UHFFFAOYSA-N 0 1 412.537 2.442 40 0 HEABMN CCc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000225167224 568619762 /nfs/dbraw/zinc/61/97/62/568619762.db2.gz DJWWTOKFJPNLKU-UHFFFAOYSA-N 0 1 412.537 2.442 40 0 HEABMN Cc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c(C)c1 ZINC000225171414 568620369 /nfs/dbraw/zinc/62/03/69/568620369.db2.gz FFPMQZAISVHDST-UHFFFAOYSA-N 0 1 412.537 2.497 40 0 HEABMN CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC ZINC000096306092 568723445 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