smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccncc1 ZINC000409108253 231162724 /nfs/dbraw/zinc/16/27/24/231162724.db2.gz SVDBBUSSXXHXRR-LICLKQGHSA-N 0 3 399.472 3.477 40 0 GGABHN Cc1ccc2[nH]c(=O)c(CN(C)c3ccc(N4CCN(C)CC4)cc3)cc2c1 ZINC000013564229 203794248 /nfs/dbraw/zinc/79/42/48/203794248.db2.gz YMVRSMLCUUKNLH-UHFFFAOYSA-N 0 3 376.504 3.225 40 0 GGABHN COc1cc(C(=O)O[C@H]2c3ccccc3CC[C@H]2N(C)C)cc(OC)c1OC ZINC000001568916 203913663 /nfs/dbraw/zinc/91/36/63/203913663.db2.gz IARDCPCJCDYEEM-XLIONFOSSA-N 0 3 385.460 3.487 40 0 GGABHN Cc1nc(NC/C=C/COc2cccc(C[NH+]3CCCCC3)c2)[n-]c(=O)c1C ZINC000005116046 204112161 /nfs/dbraw/zinc/11/21/61/204112161.db2.gz INJSHTCBZFXDQA-QPJJXVBHSA-N 0 3 382.508 3.420 40 0 GGABHN COc1ccc(CCNCC(=O)Nc2ccccc2N2CCCCC2)cc1OC ZINC000035311442 204165248 /nfs/dbraw/zinc/16/52/48/204165248.db2.gz HLHACOGUKJXKKK-UHFFFAOYSA-N 0 3 397.519 3.465 40 0 GGABHN CC(C)C[C@@H](c1nnnn1Cc1ccco1)N1CCN(C2CCCCC2)CC1 ZINC000035312058 204167362 /nfs/dbraw/zinc/16/73/62/204167362.db2.gz KAIMZLXDAYMXDI-FQEVSTJZSA-N 0 3 386.544 3.352 40 0 GGABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3F)cc2)CC1 ZINC000006517683 204182543 /nfs/dbraw/zinc/18/25/43/204182543.db2.gz HFAUSIOAIDXLPC-UHFFFAOYSA-N 0 3 386.496 3.094 40 0 GGABHN CCOc1c(Br)cc(Br)cc1CN[C@H](CC)CO ZINC000008327049 204271927 /nfs/dbraw/zinc/27/19/27/204271927.db2.gz KHVKYWGQACORIB-LLVKDONJSA-N 0 3 381.108 3.471 40 0 GGABHN C[C@@H]1CCCN(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182691 204377883 /nfs/dbraw/zinc/37/78/83/204377883.db2.gz FBCKMAABBGCLJQ-FHLIZLRMSA-N 0 3 388.512 3.119 40 0 GGABHN Cc1nccn1-c1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](C)O)cc1 ZINC000012116725 204372581 /nfs/dbraw/zinc/37/25/81/204372581.db2.gz WLOCZLTUWMNWSP-MRXNPFEDSA-N 0 3 379.460 3.292 40 0 GGABHN Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000012143400 204375623 /nfs/dbraw/zinc/37/56/23/204375623.db2.gz FQCOFQGKUFZYJG-DYESRHJHSA-N 0 3 384.499 3.119 40 0 GGABHN COc1ccc(CN2C[C@H](CN3CCOCC3)c3ccccc32)cc1CN(C)C ZINC000012148206 204376344 /nfs/dbraw/zinc/37/63/44/204376344.db2.gz HDHJVHUEFMCDIA-NRFANRHFSA-N 0 3 395.547 3.193 40 0 GGABHN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329822 204399534 /nfs/dbraw/zinc/39/95/34/204399534.db2.gz XKYWIJLQIPZDAS-RTBURBONSA-N 0 3 389.879 3.430 40 0 GGABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)c1 ZINC000012330074 204399568 /nfs/dbraw/zinc/39/95/68/204399568.db2.gz VZUSQEFKVYPNET-VQTJNVASSA-N 0 3 387.451 3.218 40 0 GGABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(OC)ccc2O3)c1 ZINC000012330025 204399683 /nfs/dbraw/zinc/39/96/83/204399683.db2.gz GREGFKYQULXQDU-NHCUHLMSSA-N 0 3 399.487 3.088 40 0 GGABHN O=C1CCN(Cc2ccccc2)CCN1CCc1noc(C2CCCCC2)n1 ZINC000012327914 204399701 /nfs/dbraw/zinc/39/97/01/204399701.db2.gz MJLUKRPGAGSTFM-UHFFFAOYSA-N 0 3 382.508 3.394 40 0 GGABHN CCOc1ncc(C2(O)CCN(Cc3ccc(C)c(C)c3)CC2)c(OCC)n1 ZINC000012186396 204379093 /nfs/dbraw/zinc/37/90/93/204379093.db2.gz GCXWEMMCKSGOED-UHFFFAOYSA-N 0 3 385.508 3.374 40 0 GGABHN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNC[C@@H]3Cc4ccccc4O3)cc12 ZINC000012186454 204379162 /nfs/dbraw/zinc/37/91/62/204379162.db2.gz SPCAYKQVHREJQX-IBGZPJMESA-N 0 3 386.455 3.116 40 0 GGABHN COC[C@H](C)NCc1cc2c(C(C)(C)C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000012186541 204379202 /nfs/dbraw/zinc/37/92/02/204379202.db2.gz YOYVBFKUPKDGHO-ZDUSSCGKSA-N 0 3 386.471 3.275 40 0 GGABHN COC[C@@H](C)NCc1cc2c(C(C)(C)C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000012186540 204379909 /nfs/dbraw/zinc/37/99/09/204379909.db2.gz YOYVBFKUPKDGHO-CYBMUJFWSA-N 0 3 386.471 3.275 40 0 GGABHN COc1ccc(CN2CCC(CNC(=O)[C@@H]3OCOc4ccccc43)CC2)cc1 ZINC000012197314 204381251 /nfs/dbraw/zinc/38/12/51/204381251.db2.gz BCWSKWMTMCYRJP-JOCHJYFZSA-N 0 3 396.487 3.131 40 0 GGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1OC ZINC000012293785 204388696 /nfs/dbraw/zinc/38/86/96/204388696.db2.gz UWWRGVFMAIMQML-MOPGFXCFSA-N 0 3 399.487 3.088 40 0 GGABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)CCO2 ZINC000012293377 204388730 /nfs/dbraw/zinc/38/87/30/204388730.db2.gz BEPIPKUFMUQCAU-PMACEKPBSA-N 0 3 381.472 3.006 40 0 GGABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)CCO2 ZINC000012293379 204388812 /nfs/dbraw/zinc/38/88/12/204388812.db2.gz BEPIPKUFMUQCAU-VQTJNVASSA-N 0 3 381.472 3.006 40 0 GGABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2cc3c(cc2C)OCO3)CC1 ZINC000012292790 204389517 /nfs/dbraw/zinc/38/95/17/204389517.db2.gz VNRWRXQPQNWXRE-UHFFFAOYSA-N 0 3 384.451 3.490 40 0 GGABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293741 204389973 /nfs/dbraw/zinc/38/99/73/204389973.db2.gz UACOOTXIJIDFLN-PMACEKPBSA-N 0 3 387.451 3.218 40 0 GGABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc(F)cc1 ZINC000012329629 204398598 /nfs/dbraw/zinc/39/85/98/204398598.db2.gz ALFUZBQPPCEHQL-OALUTQOASA-N 0 3 375.415 3.349 40 0 GGABHN CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012329381 204398647 /nfs/dbraw/zinc/39/86/47/204398647.db2.gz SADXNRTZMQJCNS-LEWJYISDSA-N 0 3 396.487 3.029 40 0 GGABHN Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330230 204398710 /nfs/dbraw/zinc/39/87/10/204398710.db2.gz IVFYCIAOZHISOL-VXKWHMMOSA-N 0 3 395.499 3.265 40 0 GGABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(OC)ccc2O3)c1 ZINC000012330022 204399257 /nfs/dbraw/zinc/39/92/57/204399257.db2.gz GREGFKYQULXQDU-RTWAWAEBSA-N 0 3 399.487 3.088 40 0 GGABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc(F)cc1 ZINC000012329633 204399306 /nfs/dbraw/zinc/39/93/06/204399306.db2.gz ALFUZBQPPCEHQL-RBUKOAKNSA-N 0 3 375.415 3.349 40 0 GGABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)c1 ZINC000012330081 204399351 /nfs/dbraw/zinc/39/93/51/204399351.db2.gz BRRYITHVQASFDJ-RTWAWAEBSA-N 0 3 383.488 3.388 40 0 GGABHN C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000019497338 204645628 /nfs/dbraw/zinc/64/56/28/204645628.db2.gz AMYNROMYPWFMNB-CALCHBBNSA-N 0 3 382.508 3.039 40 0 GGABHN Cc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4ncc5c(n4)CCN(C)C5)C3)cc21 ZINC000019236668 204633578 /nfs/dbraw/zinc/63/35/78/204633578.db2.gz FOTGTMJAHSQHFL-MRXNPFEDSA-N 0 3 389.503 3.274 40 0 GGABHN O=C(c1cnn2c1nccc2-c1ccccc1)N1CCC[C@@H](N2CCCC2)C1 ZINC000019717024 204676684 /nfs/dbraw/zinc/67/66/84/204676684.db2.gz NSENEJSDJAQPDZ-GOSISDBHSA-N 0 3 375.476 3.097 40 0 GGABHN CC(=O)Nc1ccc2nc(NC(=O)C3Oc4ccccc4O[C@H]3C)sc2c1 ZINC000037143087 205021989 /nfs/dbraw/zinc/02/19/89/205021989.db2.gz CFMDOTRIRXIMQT-DYZYQPBXSA-N 0 3 383.429 3.422 40 0 GGABHN Cn1c2ccc(CN3CCC[C@@H](Cc4nc5ccccc5[nH]4)C3)cc2n(C)c1=O ZINC000036752835 205022057 /nfs/dbraw/zinc/02/20/57/205022057.db2.gz UNWWRFOPJGATTD-INIZCTEOSA-N 0 3 389.503 3.208 40 0 GGABHN CC(=O)Nc1ccc2nc(NC(=O)C3Oc4ccccc4O[C@@H]3C)sc2c1 ZINC000037143088 205022467 /nfs/dbraw/zinc/02/24/67/205022467.db2.gz CFMDOTRIRXIMQT-QGHHPUGFSA-N 0 3 383.429 3.422 40 0 GGABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000039964139 205043758 /nfs/dbraw/zinc/04/37/58/205043758.db2.gz YPVPNKLGQAGYSX-KRWDZBQOSA-N 0 3 382.370 3.393 40 0 GGABHN COCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)n2c3ccccc3nc21 ZINC000039963971 205044437 /nfs/dbraw/zinc/04/44/37/205044437.db2.gz KEMDGOSBIDTRJL-IBGZPJMESA-N 0 3 392.459 3.216 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCCC[C@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079413533 205060980 /nfs/dbraw/zinc/06/09/80/205060980.db2.gz RSYIGWJCRVMOAS-PMACEKPBSA-N 0 3 387.524 3.152 40 0 GGABHN CC(C)[C@H](N)C(=O)NC1CCC(N(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000079413544 205061413 /nfs/dbraw/zinc/06/14/13/205061413.db2.gz VWCAYWFJICFXTB-QLOJAFMTSA-N 0 3 387.524 3.198 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079413523 205061734 /nfs/dbraw/zinc/06/17/34/205061734.db2.gz MGJRMUIWWMGWTK-QUCCMNQESA-N 0 3 387.524 3.010 40 0 GGABHN O[C@H](CNCc1c[nH]nc1-c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000059369066 205179115 /nfs/dbraw/zinc/17/91/15/205179115.db2.gz MOECJKBXRMGOQF-QGZVFWFLSA-N 0 3 385.851 3.325 40 0 GGABHN O=C(N1CCCSC[C@H]1CN1CCCC1)C1(c2ccccc2)CCOCC1 ZINC000090609020 205274994 /nfs/dbraw/zinc/27/49/94/205274994.db2.gz PNWKFRMDFKOZGW-HXUWFJFHSA-N 0 3 388.577 3.165 40 0 GGABHN COc1ccccc1CN1CCC2(C[C@]3(CO2)Nc2ccccc2C(=O)N3)CC1 ZINC000072325397 205325133 /nfs/dbraw/zinc/32/51/33/205325133.db2.gz LZCLNUZVPNOXNM-QHCPKHFHSA-N 0 3 393.487 3.002 40 0 GGABHN CCN1CCC[C@@H]1CNc1c2c(nc3cc(C4CCOCC4)nn31)CCCC2 ZINC000072336898 205328412 /nfs/dbraw/zinc/32/84/12/205328412.db2.gz BHJJBNQONGTISX-QGZVFWFLSA-N 0 3 383.540 3.398 40 0 GGABHN CCc1onc(C)c1-c1nc(N2CCCN(C)CC2)ncc1-c1ccncc1 ZINC000072342940 205329305 /nfs/dbraw/zinc/32/93/05/205329305.db2.gz XRPVEQVKIMEQCE-UHFFFAOYSA-N 0 3 378.480 3.206 40 0 GGABHN O=C(COc1ccccc1)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355118 205331999 /nfs/dbraw/zinc/33/19/99/205331999.db2.gz GQZUXEPXWANLJB-HXUWFJFHSA-N 0 3 393.531 3.406 40 0 GGABHN O=C(NCCO)c1sc2ccccc2c1[C@H]1CCN(Cc2ccccn2)C1 ZINC000072354989 205332221 /nfs/dbraw/zinc/33/22/21/205332221.db2.gz UVSJYEHBTGACGL-HNNXBMFYSA-N 0 3 381.501 3.008 40 0 GGABHN Cc1nc(CC(=O)N2CCN(C3CCCC3)C[C@H](Cc3ccccn3)C2)cs1 ZINC000072355203 205332731 /nfs/dbraw/zinc/33/27/31/205332731.db2.gz QAGLZPTTXRYRKN-SFHVURJKSA-N 0 3 398.576 3.335 40 0 GGABHN COC[C@@H]1CN(CCc2ccccc2)CCN(C(=O)CCc2ccccc2)C1 ZINC000072354464 205333037 /nfs/dbraw/zinc/33/30/37/205333037.db2.gz CDNGPGSYOBGRDD-HSZRJFAPSA-N 0 3 380.532 3.269 40 0 GGABHN Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(CCOCc3ccccc3)C2)ccn1 ZINC000072356498 205333095 /nfs/dbraw/zinc/33/30/95/205333095.db2.gz RKMIJEOSEMNRLY-LJQANCHMSA-N 0 3 377.492 3.450 40 0 GGABHN CN1CCN(C(=O)CCc2ccc(F)cc2)C[C@H](COCc2ccccc2)C1 ZINC000072354539 205333264 /nfs/dbraw/zinc/33/32/64/205333264.db2.gz QUJILQZCUCUAKV-OAQYLSRUSA-N 0 3 384.495 3.365 40 0 GGABHN Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)c1 ZINC000072359203 205334180 /nfs/dbraw/zinc/33/41/80/205334180.db2.gz XOTFMXSPIDSNBX-HXUWFJFHSA-N 0 3 378.520 3.500 40 0 GGABHN Cn1nccc1CN1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371586 205335187 /nfs/dbraw/zinc/33/51/87/205335187.db2.gz UNQAHLCDCJGBQP-OAHLLOKOSA-N 0 3 385.899 3.408 40 0 GGABHN Cn1nccc1CN1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000072371586 205335191 /nfs/dbraw/zinc/33/51/91/205335191.db2.gz UNQAHLCDCJGBQP-OAHLLOKOSA-N 0 3 385.899 3.408 40 0 GGABHN CCN(CC)CC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2OC)C1 ZINC000072362916 205335958 /nfs/dbraw/zinc/33/59/58/205335958.db2.gz JHKLEZGGNDYFQT-KRWDZBQOSA-N 0 3 398.507 3.325 40 0 GGABHN CC(=O)N1CCC(N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)CC1 ZINC000072363013 205336210 /nfs/dbraw/zinc/33/62/10/205336210.db2.gz MIFHZRZSNLMBTO-SFHVURJKSA-N 0 3 380.492 3.459 40 0 GGABHN CN1CCC(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(F)c2)CC1 ZINC000072377281 205337439 /nfs/dbraw/zinc/33/74/39/205337439.db2.gz XVYAVZLZSOVJAW-LJQANCHMSA-N 0 3 397.498 3.260 40 0 GGABHN c1cc(CN2CCc3nnc([C@@H]4CCCCN4)n3CC2)cc(OC2CCCC2)c1 ZINC000072372832 205337536 /nfs/dbraw/zinc/33/75/36/205337536.db2.gz GCMGBTFLKVSEPA-NRFANRHFSA-N 0 3 395.551 3.472 40 0 GGABHN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(Cc4cnn(C)c4)C3)n2)n1 ZINC000072376054 205337657 /nfs/dbraw/zinc/33/76/57/205337657.db2.gz BHBUENFLOBPYMY-SFHVURJKSA-N 0 3 377.496 3.345 40 0 GGABHN COc1ccccc1OCCCNCc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392393 205340894 /nfs/dbraw/zinc/34/08/94/205340894.db2.gz JRTDNBFKRCZLPS-UHFFFAOYSA-N 0 3 389.459 3.359 40 0 GGABHN CC(=O)Nc1ccc2c(c1)n(CC1(O)CCN(C)CC1)nc2-c1ccccc1 ZINC000072391127 205341195 /nfs/dbraw/zinc/34/11/95/205341195.db2.gz UQTRCNLWXFVXIV-UHFFFAOYSA-N 0 3 378.476 3.118 40 0 GGABHN CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3cccc4ncccc34)C[C@@H]12 ZINC000072395828 205343180 /nfs/dbraw/zinc/34/31/80/205343180.db2.gz DWJUAWAYMNFNPK-QPPBQGQZSA-N 0 3 385.467 3.394 40 0 GGABHN CC1CCN(Cc2cccc(NC(=O)c3ccc(Cn4cnnn4)cc3)c2)CC1 ZINC000072399254 205344035 /nfs/dbraw/zinc/34/40/35/205344035.db2.gz TVWPGFUOSXSWQA-UHFFFAOYSA-N 0 3 390.491 3.206 40 0 GGABHN COCCC(=O)N1CCC2(CN(CC(c3ccccc3)c3ccccc3)C2)C1 ZINC000096070739 205521275 /nfs/dbraw/zinc/52/12/75/205521275.db2.gz QKOSDSDPPSQLQE-UHFFFAOYSA-N 0 3 378.516 3.389 40 0 GGABHN Cc1cncc(C(=O)N2CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC2)c1 ZINC000096221019 205542043 /nfs/dbraw/zinc/54/20/43/205542043.db2.gz GHMBFACAEKCHRM-OAQYLSRUSA-N 0 3 379.504 3.286 40 0 GGABHN Cc1cc(CNC(=O)[C@@H]2Cc3cn(C)c4cccc(c34)[C@H](CC(C)C)N2)no1 ZINC000049171463 205669366 /nfs/dbraw/zinc/66/93/66/205669366.db2.gz PJSRATZSBAKGDC-OALUTQOASA-N 0 3 380.492 3.393 40 0 biogenic,in-vitro GGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 ZINC000223262039 205995459 /nfs/dbraw/zinc/99/54/59/205995459.db2.gz BCAFAHZFWQBJJR-VQTJNVASSA-N 0 3 395.532 3.059 40 0 GGABHN Cc1ccc([C@@H]2NC(=O)N[C@](O)(c3cccs3)C2C(=O)C(F)(F)F)cc1 ZINC000027754330 206015884 /nfs/dbraw/zinc/01/58/84/206015884.db2.gz ZFJYCRHEYDNJKC-XEZPLFJOSA-N 0 3 384.379 3.003 40 0 GGABHN COc1ccccc1OCCNC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000224528922 206022559 /nfs/dbraw/zinc/02/25/59/206022559.db2.gz FKBDQIZGGOOZEZ-UHFFFAOYSA-N 0 3 382.504 3.411 40 0 GGABHN COC(=O)c1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc1 ZINC000225230522 206041174 /nfs/dbraw/zinc/04/11/74/206041174.db2.gz FTYPOCUIKVVIRL-UHFFFAOYSA-N 0 3 389.546 3.486 40 0 GGABHN COc1cc(NC(=S)NCCNc2cc(C)nc3ccc(C)cc32)ncn1 ZINC000225219759 206041405 /nfs/dbraw/zinc/04/14/05/206041405.db2.gz UXMCKJBSMQMYKF-UHFFFAOYSA-N 0 3 382.493 3.049 40 0 GGABHN CC(C)CCN1CCC(O)(c2csc(CN(C)Cc3cccnc3)n2)CC1 ZINC000225475983 206051356 /nfs/dbraw/zinc/05/13/56/206051356.db2.gz HWQNSTZYMQHSNS-UHFFFAOYSA-N 0 3 388.581 3.500 40 0 biogenic,in-vitro GGABHN CC(C)(C)c1ccc(S(=O)(=O)NCC2CCN([C@@H]3CCSC3)CC2)cc1 ZINC000225573373 206058034 /nfs/dbraw/zinc/05/80/34/206058034.db2.gz TVKBFTALMONVGK-GOSISDBHSA-N 0 3 396.622 3.480 40 0 GGABHN COc1cccnc1NC(=S)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000225775431 206075257 /nfs/dbraw/zinc/07/52/57/206075257.db2.gz JUUQMVDAKVBYMA-UHFFFAOYSA-N 0 3 386.521 3.050 40 0 GGABHN COc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)cn1 ZINC000225775399 206075408 /nfs/dbraw/zinc/07/54/08/206075408.db2.gz QDTSJCNKFCVZHH-UHFFFAOYSA-N 0 3 386.521 3.050 40 0 GGABHN Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000226852017 206100817 /nfs/dbraw/zinc/10/08/17/206100817.db2.gz HHMXXOJPVYANAE-WIYYLYMNSA-N 0 3 392.503 3.367 40 0 GGABHN CC(C)N(C)CC(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000060161970 206102657 /nfs/dbraw/zinc/10/26/57/206102657.db2.gz RUCGBJNJOYXTBO-QGZVFWFLSA-N 0 3 381.476 3.041 40 0 GGABHN COc1ncccc1CNC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21 ZINC000096112700 206118188 /nfs/dbraw/zinc/11/81/88/206118188.db2.gz SWFDMHUPAHEBSC-AWEZNQCLSA-N 0 3 392.381 3.320 40 0 biogenic,in-vitro GGABHN Fc1ccc(CNC[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)cc1 ZINC000096296434 206120606 /nfs/dbraw/zinc/12/06/06/206120606.db2.gz XFUOOGTYHUKKLU-SFHVURJKSA-N 0 3 395.434 3.149 40 0 biogenic,in-vitro GGABHN CC(=O)Nc1ccc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 ZINC000096296291 206120730 /nfs/dbraw/zinc/12/07/30/206120730.db2.gz NEBWGRMOUPVKGY-FQEVSTJZSA-N 0 3 376.460 3.197 40 0 biogenic,in-vitro GGABHN FC(F)(F)c1cccnc1N1CCN(C2CCN(Cc3ccoc3)CC2)CC1 ZINC000252496832 206140411 /nfs/dbraw/zinc/14/04/11/206140411.db2.gz PSQVFYHLXRTJFR-UHFFFAOYSA-N 0 3 394.441 3.480 40 0 GGABHN CC(C)N1CCOC[C@@]2(CC[C@H](CNCc3cc(-c4ccccc4)on3)O2)C1 ZINC000248167646 206134625 /nfs/dbraw/zinc/13/46/25/206134625.db2.gz PGSNLVIQCOQFCR-IFMALSPDSA-N 0 3 385.508 3.090 40 0 GGABHN Cc1nc(COC[C@H]2CCN(C)C3(CN(Cc4nccs4)C3)C2)cs1 ZINC000248139037 206135688 /nfs/dbraw/zinc/13/56/88/206135688.db2.gz PREPXPYGWZCUID-HNNXBMFYSA-N 0 3 378.567 3.021 40 0 GGABHN CN1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@@H](Cc3cc[nH]n3)C2)CC1 ZINC000257227842 206162208 /nfs/dbraw/zinc/16/22/08/206162208.db2.gz FREVNRYVDFZPPJ-IBGZPJMESA-N 0 3 398.526 3.285 40 0 GGABHN C[C@@H](N)C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257289742 206172412 /nfs/dbraw/zinc/17/24/12/206172412.db2.gz PZZXPBZIBCTLJQ-JLHWBTOGSA-N 0 3 378.900 3.153 40 0 GGABHN NCc1cnn(-c2ccccc2C(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000257288523 206173509 /nfs/dbraw/zinc/17/35/09/206173509.db2.gz PUMVWQPCTXNYRQ-UHFFFAOYSA-N 0 3 390.365 3.160 40 0 GGABHN NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccnc2)CC1 ZINC000257304836 206176004 /nfs/dbraw/zinc/17/60/04/206176004.db2.gz SNJFBMWWFXTSBU-UHFFFAOYSA-N 0 3 386.499 3.454 40 0 GGABHN Cc1noc(C)c1-c1cnc(C2CCN(C(=O)C3(C)CCN(C)CC3)CC2)cn1 ZINC000257306768 206176649 /nfs/dbraw/zinc/17/66/49/206176649.db2.gz SVUJHBLJTSHMLN-UHFFFAOYSA-N 0 3 397.523 3.186 40 0 GGABHN COc1ccc(CN2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1 ZINC000257304237 206176972 /nfs/dbraw/zinc/17/69/72/206176972.db2.gz SKSAYYNSBBJPNE-IBGZPJMESA-N 0 3 396.535 3.159 40 0 GGABHN COc1ccc(CN2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1 ZINC000257304238 206177422 /nfs/dbraw/zinc/17/74/22/206177422.db2.gz SKSAYYNSBBJPNE-LJQANCHMSA-N 0 3 396.535 3.159 40 0 GGABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000257229773 206163112 /nfs/dbraw/zinc/16/31/12/206163112.db2.gz FZKYDZLJUGTQHL-OAHLLOKOSA-N 0 3 392.500 3.259 40 0 GGABHN O=C1NCC2(CCN(Cc3cnc[nH]3)CC2)C/C=C/CCOc2ccccc21 ZINC000257239698 206164388 /nfs/dbraw/zinc/16/43/88/206164388.db2.gz HQJWWAGEVWACFM-DAFODLJHSA-N 0 3 380.492 3.151 40 0 GGABHN Cc1nonc1COc1ccccc1C(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C ZINC000257242933 206166692 /nfs/dbraw/zinc/16/66/92/206166692.db2.gz IEUJAZNMPSMFAF-FPOVZHCZSA-N 0 3 384.480 3.046 40 0 GGABHN COc1cccc(-c2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCC[C@H]5N(C)C4)on2)c1 ZINC000257246720 206166961 /nfs/dbraw/zinc/16/69/61/206166961.db2.gz IVNBDMVUGRVZSI-CDYWNXMYSA-N 0 3 381.476 3.438 40 0 GGABHN CC(=O)NCC(=O)N1CCC[C@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 ZINC000257312823 206178993 /nfs/dbraw/zinc/17/89/93/206178993.db2.gz UPSHFDGGFHROKL-INIZCTEOSA-N 0 3 384.455 3.115 40 0 GGABHN O=C(OCc1ccccc1)N1C[C@H](O)[C@@H](N(Cc2ccccc2)CC2CC2)C1 ZINC000257318144 206179008 /nfs/dbraw/zinc/17/90/08/206179008.db2.gz VMQVWMRUYLQKCO-VXKWHMMOSA-N 0 3 380.488 3.281 40 0 GGABHN Cn1cc(CN2CCC(CCc3ccnc(Nc4ncccn4)c3)CC2)cn1 ZINC000257329779 206179967 /nfs/dbraw/zinc/17/99/67/206179967.db2.gz XLNASYAJYHPEQX-UHFFFAOYSA-N 0 3 377.496 3.194 40 0 GGABHN CN1CCN(Cc2cnc3ccccc3n2)C[C@@H](Cc2ccnc3cccnc23)C1 ZINC000257340832 206181331 /nfs/dbraw/zinc/18/13/31/206181331.db2.gz ZHRMWRDPIAWGSE-SFHVURJKSA-N 0 3 398.514 3.179 40 0 GGABHN CC(C)CN1CCO[C@]2(CCCC[C@H]2NC(=O)C2=NO[C@H](c3ccccc3)C2)C1 ZINC000306139096 206204992 /nfs/dbraw/zinc/20/49/92/206204992.db2.gz SPFOGQUHCDVFME-QZNHQXDQSA-N 0 3 399.535 3.290 40 0 GGABHN Cc1ncsc1CN1CCC[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306137848 206205087 /nfs/dbraw/zinc/20/50/87/206205087.db2.gz RIFNWXLIUQQTDU-INIZCTEOSA-N 0 3 382.537 3.474 40 0 GGABHN c1coc(CN2Cc3cnc(NCC4CC4)nc3[C@]3(CCN(CC4CC4)C3)C2)c1 ZINC000306137886 206205314 /nfs/dbraw/zinc/20/53/14/206205314.db2.gz RJDDPMSAEOVUAN-QHCPKHFHSA-N 0 3 393.535 3.261 40 0 GGABHN CC(C)n1cnc([C@H]2CN(Cc3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306144366 206206449 /nfs/dbraw/zinc/20/64/49/206206449.db2.gz ZDLYHZOKBWCRLB-DENIHFKCSA-N 0 3 382.508 3.285 40 0 GGABHN COc1ccc(-c2cnc3n2C[C@H]2CN(Cc4cccnc4OC)C[C@@H]2C3)cc1 ZINC000306143810 206206481 /nfs/dbraw/zinc/20/64/81/206206481.db2.gz YNHLGPJMOVEZLT-RBUKOAKNSA-N 0 3 390.487 3.267 40 0 GGABHN CCCN(CCC)C(=O)c1ccc2ncc(N3CCN(C(C)C)CC3)nc2c1 ZINC000306144506 206206492 /nfs/dbraw/zinc/20/64/92/206206492.db2.gz ZHHFZLBXYXTGOL-UHFFFAOYSA-N 0 3 383.540 3.422 40 0 GGABHN Cc1cccc(CN2CCC(c3nnc4ccc(-c5ccnn5C)nn43)CC2)c1 ZINC000306143023 206207374 /nfs/dbraw/zinc/20/73/74/206207374.db2.gz XRCKWCRCESFVPY-UHFFFAOYSA-N 0 3 387.491 3.213 40 0 GGABHN CC(C)N1CCN(c2cnc3ccc(C(=O)NC4CCCCC4)cc3n2)CC1 ZINC000306124224 206196917 /nfs/dbraw/zinc/19/69/17/206196917.db2.gz BJUJEVSIBXCYBA-UHFFFAOYSA-N 0 3 381.524 3.223 40 0 GGABHN Cc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)s1 ZINC000306125912 206197114 /nfs/dbraw/zinc/19/71/14/206197114.db2.gz DFIXBSHSCKGPJO-RBBKRZOGSA-N 0 3 397.544 3.059 40 0 GGABHN Clc1ncc(CN2CCO[C@@]3(CCCC[C@@H]3NCc3cccnc3)C2)s1 ZINC000306126343 206197706 /nfs/dbraw/zinc/19/77/06/206197706.db2.gz DTCZRHUYOATCAQ-HKUYNNGSSA-N 0 3 392.956 3.495 40 0 GGABHN CCn1cc(CN2CC[C@]3(Cc4ncc(-c5ccccc5OC)n4C3)C2)cn1 ZINC000306126650 206197850 /nfs/dbraw/zinc/19/78/50/206197850.db2.gz FAXYSLUZHCGVJY-QFIPXVFZSA-N 0 3 377.492 3.224 40 0 GGABHN Fc1cccc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306128079 206199951 /nfs/dbraw/zinc/19/99/51/206199951.db2.gz GPOBOMGBLQRGEU-SFHVURJKSA-N 0 3 395.482 3.085 40 0 GGABHN CCN(C)C(=O)c1ccc2c(c1)C1(CCO2)CCN(Cc2ccncc2)CC1 ZINC000306133817 206200765 /nfs/dbraw/zinc/20/07/65/206200765.db2.gz MXABUKBRCQMJJN-UHFFFAOYSA-N 0 3 379.504 3.490 40 0 GGABHN Cc1cc(CN2CC[C@]3(c4ccccc4)CC[C@H](N4CCOCC4)C[C@H]23)no1 ZINC000306134127 206202948 /nfs/dbraw/zinc/20/29/48/206202948.db2.gz NEAZVQYXKWMKJJ-VABKMULXSA-N 0 3 381.520 3.380 40 0 GGABHN CCN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000100177768 206216730 /nfs/dbraw/zinc/21/67/30/206216730.db2.gz OBNSXOAREWNWHG-OTWHNJEPSA-N 0 3 375.513 3.056 40 0 GGABHN CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000100177758 206216839 /nfs/dbraw/zinc/21/68/39/206216839.db2.gz VWCAYWFJICFXTB-NSHGMRRFSA-N 0 3 387.524 3.198 40 0 GGABHN C[C@H](CCN1CCc2c(nc(N3C[C@H](C)O[C@@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000072335589 136168331 /nfs/dbraw/zinc/16/83/31/136168331.db2.gz OFDBNDGNKASTIQ-SQNIBIBYSA-N 0 3 396.535 3.348 40 0 GGABHN c1cc(CN2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)cs1 ZINC000096038292 136183373 /nfs/dbraw/zinc/18/33/73/136183373.db2.gz XOBUJLXELDTHTP-UHFFFAOYSA-N 0 3 383.521 3.007 40 0 GGABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000109425450 136192027 /nfs/dbraw/zinc/19/20/27/136192027.db2.gz BXDXCHPHLGPCNZ-UHFFFAOYSA-N 0 3 393.531 3.439 40 0 GGABHN CN1CCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)CCC5)cc2)CC1 ZINC000013563483 136201208 /nfs/dbraw/zinc/20/12/08/136201208.db2.gz ASXHYZOGYZMXLR-UHFFFAOYSA-N 0 3 388.515 3.381 40 0 GGABHN CN(C)c1cnnc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)c1 ZINC000224311933 136206756 /nfs/dbraw/zinc/20/67/56/136206756.db2.gz CUJLNPLMVTUBLW-UHFFFAOYSA-N 0 3 376.464 3.050 40 0 GGABHN CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C(C)C)CC1 ZINC000242701753 529039764 /nfs/dbraw/zinc/03/97/64/529039764.db2.gz WOHFPTHUTMULHV-UFYCRDLUSA-N 0 3 389.540 3.444 40 0 GGABHN COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2cccc(C(F)(F)F)c2)cc1 ZINC000077261905 560046751 /nfs/dbraw/zinc/04/67/51/560046751.db2.gz YZAGYGFGECBJBH-NCXUSEDFSA-N 0 3 381.394 3.082 40 0 biogenic,in-vitro GGABHN CCc1cc2c(cc1CC)CC([NH2+]C[C@@H](O)c1ccc([O-])c3[nH]c(=O)ccc13)C2 ZINC000000590240 560178305 /nfs/dbraw/zinc/17/83/05/560178305.db2.gz QZZUEBNBZAPZLX-JOCHJYFZSA-N 0 3 392.499 3.149 40 0 in-vitro GGABHN CN1CCCC[C@@H]2[C@H]1CCN2S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000019712565 564304215 /nfs/dbraw/zinc/30/42/15/564304215.db2.gz LBLDDWJBWWOSJA-HZPDHXFCSA-N 0 3 377.337 3.382 40 0 GGABHN CCc1ccc([C@@H](CNC(=O)c2nc(SC)ncc2Cl)N(C)C)cc1 ZINC000040068097 564425467 /nfs/dbraw/zinc/42/54/67/564425467.db2.gz ISAAILZIMDIJJK-OAHLLOKOSA-N 0 3 378.929 3.447 40 0 GGABHN CCN1CCC(NC(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000054816045 564610022 /nfs/dbraw/zinc/61/00/22/564610022.db2.gz GXZKHHZTZXPXGC-HNNXBMFYSA-N 0 3 382.302 3.056 40 0 GGABHN O=S(=O)(N[C@H]1CCC12CCN(Cc1cccs1)CC2)c1ccccc1 ZINC000096051615 564900959 /nfs/dbraw/zinc/90/09/59/564900959.db2.gz KBOYIMPBSFVCPR-SFHVURJKSA-N 0 3 376.547 3.471 40 0 GGABHN CS(=O)(=O)N1CCC2(C[C@H](NCc3cccs3)c3ccccc32)CC1 ZINC000096241512 564901337 /nfs/dbraw/zinc/90/13/37/564901337.db2.gz JHKJKABQRZWLAI-SFHVURJKSA-N 0 3 376.547 3.276 40 0 GGABHN CCOC[C@@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218059656 565898461 /nfs/dbraw/zinc/89/84/61/565898461.db2.gz NEPGDTFQTZEUGL-FHWLQOOXSA-N 0 3 379.909 3.261 40 0 GGABHN COC[C@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218641220 565900881 /nfs/dbraw/zinc/90/08/81/565900881.db2.gz BOFBDLZDQRTNGN-FGTMMUONSA-N 0 3 383.872 3.010 40 0 GGABHN COC[C@@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218641292 565900949 /nfs/dbraw/zinc/90/09/49/565900949.db2.gz BOFBDLZDQRTNGN-BZSNNMDCSA-N 0 3 383.872 3.010 40 0 GGABHN O=C(c1ccno1)N1CC[C@]2(c3ccccc3)CN(Cc3ccco3)C[C@@H]2C1 ZINC000096083313 570209865 /nfs/dbraw/zinc/20/98/65/570209865.db2.gz DKQYEDBHPDQKAK-XMSQKQJNSA-N 0 3 377.444 3.184 40 0 GGABHN Cn1cc(CN2CCC3(C[C@H](C(=O)NC4CCC4)c4ccccc43)CC2)cn1 ZINC000096079336 570210007 /nfs/dbraw/zinc/21/00/07/570210007.db2.gz VBEGSGFYRNNKNY-FQEVSTJZSA-N 0 3 378.520 3.110 40 0 GGABHN O=C(c1ccno1)N1CC[C@@]2(c3ccccc3)CN(Cc3ccco3)C[C@H]2C1 ZINC000096083310 570210016 /nfs/dbraw/zinc/21/00/16/570210016.db2.gz DKQYEDBHPDQKAK-AVRDEDQJSA-N 0 3 377.444 3.184 40 0 GGABHN Cc1ccc(CN2CCOC[C@]3(C[C@H](CNc4ncccc4F)CO3)C2)s1 ZINC000096078454 570210047 /nfs/dbraw/zinc/21/00/47/570210047.db2.gz SXLKXNLKTONBJP-UZLBHIALSA-N 0 3 391.512 3.310 40 0 GGABHN Nc1ncnc2nc([C@H]3CCCN(Cc4cccnc4)C3)cc(C(F)(F)F)c12 ZINC000019743223 570212890 /nfs/dbraw/zinc/21/28/90/570212890.db2.gz MJQXLVZUDSBKIK-ZDUSSCGKSA-N 0 3 388.397 3.400 40 0 GGABHN CN(C)[C@H]1CCN(C(=O)c2ccc3ccc(N(C)Cc4ccc(F)cc4)n3c2)C1 ZINC000096146166 570213749 /nfs/dbraw/zinc/21/37/49/570213749.db2.gz XWDGEAJSMAXTFM-NRFANRHFSA-N 0 3 394.494 3.491 40 0 GGABHN Cc1c(CN2CCC[C@@H](N(C)C(=O)c3nccc4ccccc43)CC2)cnn1C ZINC000019749658 570215081 /nfs/dbraw/zinc/21/50/81/570215081.db2.gz KJQLUXHITKPRRZ-HXUWFJFHSA-N 0 3 391.519 3.403 40 0 GGABHN CN(C)C(=O)c1cn(C)nc1CC1CCN(Cc2ccnc3ccccc23)CC1 ZINC000019756359 570216363 /nfs/dbraw/zinc/21/63/63/570216363.db2.gz RHRZXGYTTBFBHU-UHFFFAOYSA-N 0 3 391.519 3.125 40 0 GGABHN Cc1nc(-c2cc(C(=O)N3CC[C@H](N(C)C)C3)c3ccccn23)cn1C(C)C ZINC000096154951 570216609 /nfs/dbraw/zinc/21/66/09/570216609.db2.gz KZPNPKQDVXTPIF-KRWDZBQOSA-N 0 3 379.508 3.468 40 0 GGABHN Cc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(CCOc2ccccc2)C3)cn1 ZINC000096216337 570219448 /nfs/dbraw/zinc/21/94/48/570219448.db2.gz QGRJAFFYIXMHQG-QHCPKHFHSA-N 0 3 379.504 3.397 40 0 GGABHN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096228789 570221198 /nfs/dbraw/zinc/22/11/98/570221198.db2.gz GMISYGZEJYTMBX-XMMPIXPASA-N 0 3 393.531 3.442 40 0 GGABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cccc(OC)c1 ZINC000019819039 570221950 /nfs/dbraw/zinc/22/19/50/570221950.db2.gz BJKMGNTXRCDHPX-GOSISDBHSA-N 0 3 394.427 3.134 40 0 GGABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccccc1OC ZINC000019819047 570222066 /nfs/dbraw/zinc/22/20/66/570222066.db2.gz SHHKGXZYMPKMFI-INIZCTEOSA-N 0 3 394.427 3.134 40 0 GGABHN CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(Cc1ccccc1F)CC2 ZINC000096260343 570225452 /nfs/dbraw/zinc/22/54/52/570225452.db2.gz MHDCSCYYEHDJGK-UHFFFAOYSA-N 0 3 384.499 3.026 40 0 GGABHN CC(C)Nc1nc2c(cc1C(=O)NCC1CC1)CCN(Cc1ccccn1)CC2 ZINC000096260460 570225736 /nfs/dbraw/zinc/22/57/36/570225736.db2.gz IVYANNFYRSWOHQ-UHFFFAOYSA-N 0 3 393.535 3.038 40 0 GGABHN Cc1ccc(CN2CCc3cc(C(=O)N(C)C)c(NCC(C)C)nc3CC2)o1 ZINC000096260502 570225794 /nfs/dbraw/zinc/22/57/94/570225794.db2.gz QHKMOAMXDUYENL-UHFFFAOYSA-N 0 3 384.524 3.354 40 0 GGABHN Cc1ccc(CN2CCc3cc(C(=O)N(C)C)c(NCC4CC4)nc3CC2)o1 ZINC000096260567 570225828 /nfs/dbraw/zinc/22/58/28/570225828.db2.gz ZEMWUJJYAULWCG-UHFFFAOYSA-N 0 3 382.508 3.108 40 0 GGABHN CC(C)Nc1nc2c(cc1C(=O)N1CCCC1)CCN(Cc1ccccn1)CC2 ZINC000096260472 570225871 /nfs/dbraw/zinc/22/58/71/570225871.db2.gz QNSFQSDXBOUSNP-UHFFFAOYSA-N 0 3 393.535 3.134 40 0 GGABHN CC(C)Nc1nc2c(cc1C(=O)N(C)C)CCN(Cc1ccc(F)cc1)CC2 ZINC000096260432 570225877 /nfs/dbraw/zinc/22/58/77/570225877.db2.gz KZIBWCLKGSNSEO-UHFFFAOYSA-N 0 3 384.499 3.344 40 0 GGABHN CC(C)CNc1nc2c(cc1C(=O)NC(C)C)CCN(Cc1cccnc1)CC2 ZINC000096260528 570225898 /nfs/dbraw/zinc/22/58/98/570225898.db2.gz RBTAXQOENBAULN-UHFFFAOYSA-N 0 3 395.551 3.284 40 0 GGABHN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H]2CCCN2C)cc1 ZINC000048273942 570226288 /nfs/dbraw/zinc/22/62/88/570226288.db2.gz HXXIAWBTZZORNF-LJQANCHMSA-N 0 3 390.487 3.372 40 0 GGABHN Cc1cnc(Nc2cc(C3CCN(C(=O)[C@H]4CCCCN4)CC3)ccn2)s1 ZINC000585262728 570230532 /nfs/dbraw/zinc/23/05/32/570230532.db2.gz ZWBMUXDEDFEACR-QGZVFWFLSA-N 0 3 385.537 3.438 40 0 GGABHN Cc1cnc(Nc2cc(C3CCN(C(=O)[C@@H]4CCCCN4)CC3)ccn2)s1 ZINC000585262727 570230638 /nfs/dbraw/zinc/23/06/38/570230638.db2.gz ZWBMUXDEDFEACR-KRWDZBQOSA-N 0 3 385.537 3.438 40 0 GGABHN NC1(C(=O)N2CCC[C@@H](c3cccc(-c4cnc5ccc(Cl)cn54)n3)C2)CC1 ZINC000585262753 570230704 /nfs/dbraw/zinc/23/07/04/570230704.db2.gz CCQZNDSHCZIGLT-CQSZACIVSA-N 0 3 395.894 3.247 40 0 GGABHN CCC[C@@H](N)C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1 ZINC000585263624 570232094 /nfs/dbraw/zinc/23/20/94/570232094.db2.gz WGYJJCNHMBEXNN-OAHLLOKOSA-N 0 3 388.541 3.127 40 0 GGABHN Cc1ccc([C@@H]2NC(=O)N[C@@](O)(c3cccs3)C2C(=O)C(F)(F)F)cc1 ZINC000035099397 570233188 /nfs/dbraw/zinc/23/31/88/570233188.db2.gz ZFJYCRHEYDNJKC-DVOMOZLQSA-N 0 3 384.379 3.003 40 0 GGABHN CC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585283042 570251453 /nfs/dbraw/zinc/25/14/53/570251453.db2.gz OXYJFRWCKYWSJZ-JOCHJYFZSA-N 0 3 392.515 3.069 40 0 GGABHN CC(=O)N1CCC(N2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)CC1 ZINC000585283604 570251962 /nfs/dbraw/zinc/25/19/62/570251962.db2.gz SIPAOVIESHTAEJ-NRFANRHFSA-N 0 3 394.943 3.173 40 0 GGABHN COc1ccccc1OC[C@@H](O)CNCc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000585285841 570255358 /nfs/dbraw/zinc/25/53/58/570255358.db2.gz UJRFXNMDUXUOQS-KRWDZBQOSA-N 0 3 382.460 3.095 40 0 GGABHN CC(=O)N1CCN(C2CCCCCC2)C[C@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585287823 570259021 /nfs/dbraw/zinc/25/90/21/570259021.db2.gz SOILNEINQPKURE-QHCPKHFHSA-N 0 3 388.552 3.300 40 0 GGABHN Cc1cccc(Nc2cc(CC3CCN(C(=O)/C=C/CN(C)C)CC3)ccn2)n1 ZINC000585291798 570260802 /nfs/dbraw/zinc/26/08/02/570260802.db2.gz GITLZVOBIFCQIK-VMPITWQZSA-N 0 3 393.535 3.428 40 0 GGABHN Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(C(=O)/C=C/CN(C)C)C3)nc2)n1 ZINC000585292456 570261799 /nfs/dbraw/zinc/26/17/99/570261799.db2.gz MUQAHKDDMBNSAX-IWHGQQBYSA-N 0 3 394.523 3.056 40 0 GGABHN COc1ccc(OC[C@H](O)CN(CCO)Cc2ccccc2)c(C(C)(C)C)c1 ZINC000006306035 570262898 /nfs/dbraw/zinc/26/28/98/570262898.db2.gz GEGKZCJNVVWLRK-LJQANCHMSA-N 0 3 387.520 3.227 40 0 GGABHN COc1cc(C(=O)O[C@@H]2c3ccccc3CC[C@H]2N(C)C)cc(OC)c1OC ZINC000001568914 570264828 /nfs/dbraw/zinc/26/48/28/570264828.db2.gz IARDCPCJCDYEEM-YLJYHZDGSA-N 0 3 385.460 3.487 40 0 GGABHN Cc1ccnn1CCC(=O)NC[C@H]1CC[C@H]([C@@H](c2ccccn2)N(C)C)CC1 ZINC000100750234 570276395 /nfs/dbraw/zinc/27/63/95/570276395.db2.gz XDAWSJICQZEPLV-JQVVWYNYSA-N 0 3 383.540 3.202 40 0 GGABHN Cc1nn(CC(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)c(C)c1C ZINC000100750245 570276499 /nfs/dbraw/zinc/27/64/99/570276499.db2.gz PCYIMNLLQHYWRN-ZRCGQRJVSA-N 0 3 397.567 3.429 40 0 GGABHN COc1ccc(CCNCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000015935996 570295433 /nfs/dbraw/zinc/29/54/33/570295433.db2.gz BFOQHHKEHMIZLK-UHFFFAOYSA-N 0 3 395.503 3.092 40 0 GGABHN Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1[C@@H](N)c1ccccc1 ZINC000072223664 570318628 /nfs/dbraw/zinc/31/86/28/570318628.db2.gz VLYMQRIMQHMDIS-FQEVSTJZSA-N 0 3 382.508 3.495 40 0 GGABHN N=C1Nc2nc(=O)c3ccccc3n2[C@@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000022363047 570343042 /nfs/dbraw/zinc/34/30/42/570343042.db2.gz VVHPZLHGHNQIFT-IBGZPJMESA-N 0 3 383.411 3.476 40 0 GGABHN Fc1ccc(COc2ccc(Cl)cc2CNCCN2CCOCC2)cc1 ZINC000023263565 570353274 /nfs/dbraw/zinc/35/32/74/570353274.db2.gz IZHVWUFOIVQCRJ-UHFFFAOYSA-N 0 3 378.875 3.480 40 0 GGABHN O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222599280 570416064 /nfs/dbraw/zinc/41/60/64/570416064.db2.gz SNWSUVLVSPKRDD-GOSISDBHSA-N 0 3 394.450 3.404 40 0 GGABHN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000223042696 570439109 /nfs/dbraw/zinc/43/91/09/570439109.db2.gz KCMOFSWHMVXLJK-PMACEKPBSA-N 0 3 393.516 3.276 40 0 GGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 ZINC000223262095 570454204 /nfs/dbraw/zinc/45/42/04/570454204.db2.gz BCAFAHZFWQBJJR-WOJBJXKFSA-N 0 3 395.532 3.059 40 0 GGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 ZINC000223276836 570455240 /nfs/dbraw/zinc/45/52/40/570455240.db2.gz CJOLPAWEDBGIJF-SFTDATJTSA-N 0 3 391.544 3.406 40 0 GGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000223277000 570455694 /nfs/dbraw/zinc/45/56/94/570455694.db2.gz CJOLPAWEDBGIJF-NHCUHLMSSA-N 0 3 391.544 3.406 40 0 GGABHN COc1cc2c(cc1S(=O)(=O)NCCCN1CCCCCC1)CCCC2 ZINC000223547907 570470787 /nfs/dbraw/zinc/47/07/87/570470787.db2.gz YCHBVQQKSBULDS-UHFFFAOYSA-N 0 3 380.554 3.118 40 0 GGABHN CN(Cc1ccc(OCc2nccn2C)cc1)C[C@H](O)COC1CCCCC1 ZINC000257248968 570488140 /nfs/dbraw/zinc/48/81/40/570488140.db2.gz JGBHZRKSQTXSRQ-IBGZPJMESA-N 0 3 387.524 3.141 40 0 GGABHN CCn1c(CNc2ccc(OC)cc2)nnc1SCCN1CCCCC1 ZINC000000899047 570513664 /nfs/dbraw/zinc/51/36/64/570513664.db2.gz SURLELQCGAIAKB-UHFFFAOYSA-N 0 3 375.542 3.497 40 0 GGABHN O=C(CNC1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000902313 570514638 /nfs/dbraw/zinc/51/46/38/570514638.db2.gz CULBWFLFPAVGIN-UHFFFAOYSA-N 0 3 393.553 3.112 40 0 GGABHN O=c1[nH]c(CN2CCN(Cc3cccc4ccccc43)CC2)nc2ccsc21 ZINC000022790718 570547773 /nfs/dbraw/zinc/54/77/73/570547773.db2.gz JIJSULCNZOKZDE-UHFFFAOYSA-N 0 3 390.512 3.456 40 0 GGABHN COc1cc2c(cc1OC)C(=O)[C@@H]([C@H](O)C1CCN(Cc3ccccc3)CC1)C2 ZINC000034964948 570548683 /nfs/dbraw/zinc/54/86/83/570548683.db2.gz QKRVJLPAJNHQKT-NFBKMPQASA-N 0 3 395.499 3.332 40 0 in-vitro GGABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000101062574 570616940 /nfs/dbraw/zinc/61/69/40/570616940.db2.gz YDZKQEDKBUHTJD-HKBOAZHASA-N 0 3 385.423 3.441 40 0 GGABHN COC(=O)c1ccc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 ZINC000012187333 570621301 /nfs/dbraw/zinc/62/13/01/570621301.db2.gz NWCASZRDZKBIGK-UHFFFAOYSA-N 0 3 393.447 3.001 40 0 GGABHN OC1(c2cccnc2)CCN(Cc2ccccc2OCCN2CCCCC2)CC1 ZINC000012363678 570646127 /nfs/dbraw/zinc/64/61/27/570646127.db2.gz QFESPLDKHDOOAV-UHFFFAOYSA-N 0 3 395.547 3.430 40 0 GGABHN CCCN1C[C@H](NC(=O)Cc2ccc(OC)cc2)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364775 570646811 /nfs/dbraw/zinc/64/68/11/570646811.db2.gz WBAYDNJNUUGELE-YADHBBJMSA-N 0 3 382.504 3.241 40 0 GGABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@@H]3C2=O)c1 ZINC000013757592 570675900 /nfs/dbraw/zinc/67/59/00/570675900.db2.gz MEXIFCKJJODSBW-ACRUOGEOSA-N 0 3 385.423 3.441 40 0 GGABHN CCN(CC)[C@@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000017795064 570714984 /nfs/dbraw/zinc/71/49/84/570714984.db2.gz GAUSXPAIZHXISB-FQEVSTJZSA-N 0 3 392.503 3.055 40 0 GGABHN COC(=O)c1cc(NC(=O)c2ccc(CN3CCCC3)cc2)cc(C(=O)OC)c1 ZINC000010337829 570788814 /nfs/dbraw/zinc/78/88/14/570788814.db2.gz XTYSTBGSYOMHTR-UHFFFAOYSA-N 0 3 396.443 3.108 40 0 GGABHN Cc1ccc([C@@H]2NC(=O)N[C@](O)(c3cccs3)C2C(=O)C(F)(F)F)cc1 ZINC000103215114 570879700 /nfs/dbraw/zinc/87/97/00/570879700.db2.gz ZFJYCRHEYDNJKC-WWGRRREGSA-N 0 3 384.379 3.003 40 0 GGABHN COCCc1ncc(CN2C[C@@H]3CCC[C@@](O)(c4ccc(C)cc4)[C@H]3C2)cn1 ZINC000072340463 570880478 /nfs/dbraw/zinc/88/04/78/570880478.db2.gz XYJQAKXRIMJVLA-IEIRFRATSA-N 0 3 381.520 3.094 40 0 GGABHN COCCc1ncc(CN2C[C@H]3[C@@H](C2)CCC[C@@]3(O)c2ccc(C)cc2)cn1 ZINC000072340465 570880577 /nfs/dbraw/zinc/88/05/77/570880577.db2.gz XYJQAKXRIMJVLA-UNWVZKJWSA-N 0 3 381.520 3.094 40 0 GGABHN COc1ccc(CN[C@H](CN2CCOCC2)c2ccccc2)cc1OC(F)F ZINC000096971517 570911552 /nfs/dbraw/zinc/91/15/52/570911552.db2.gz KAROHKDIOOIUCB-GOSISDBHSA-N 0 3 392.446 3.460 40 0 GGABHN O=C(CN1CC=C(c2c[nH]c3ccccc23)CC1)NC1CCN(C2CC2)CC1 ZINC000089866572 570917852 /nfs/dbraw/zinc/91/78/52/570917852.db2.gz LNUXYOHMUKXESH-UHFFFAOYSA-N 0 3 378.520 3.000 40 0 GGABHN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)NC[C@H](c1ccc(C)cc1)N(C)C)(C3)C2 ZINC000019136417 570924360 /nfs/dbraw/zinc/92/43/60/570924360.db2.gz GFUDZZJJRAINMG-YOTRHBAISA-N 0 3 397.563 3.189 40 0 GGABHN CCOC[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218542783 570926688 /nfs/dbraw/zinc/92/66/88/570926688.db2.gz XYKPQFWOCIANQO-FDFHNCONSA-N 0 3 387.545 3.479 40 0 GGABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H](C)C4)C3)CC2)c1 ZINC000585103045 570931793 /nfs/dbraw/zinc/93/17/93/570931793.db2.gz BQXLQJOMVTYREW-OALUTQOASA-N 0 3 386.536 3.444 40 0 GGABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H](C)C4)C3)CC2)c1 ZINC000585103045 570931796 /nfs/dbraw/zinc/93/17/96/570931796.db2.gz BQXLQJOMVTYREW-OALUTQOASA-N 0 3 386.536 3.444 40 0 GGABHN Cc1noc(C)c1CN1C[C@]2(CC1=O)COCCN([C@H](C)c1ccccc1)C2 ZINC000585104399 570933162 /nfs/dbraw/zinc/93/31/62/570933162.db2.gz LVKXYRWVRLCEEL-VGOFRKELSA-N 0 3 383.492 3.104 40 0 GGABHN Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCCN(Cc1cc(C)ccc1C)C2 ZINC000585104749 570933573 /nfs/dbraw/zinc/93/35/73/570933573.db2.gz SUOCSQCDOHXRGQ-QHCPKHFHSA-N 0 3 397.519 3.159 40 0 GGABHN CCCOc1cccc(C(=O)Nc2cc(N)ccc2N2CCN(CC)CC2)c1 ZINC000226259826 570935129 /nfs/dbraw/zinc/93/51/29/570935129.db2.gz FKDGZCOQBYESPB-UHFFFAOYSA-N 0 3 382.508 3.452 40 0 GGABHN CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(C2CCCCC2)CC1 ZINC000020141324 570942089 /nfs/dbraw/zinc/94/20/89/570942089.db2.gz YEWDABIKRLQTNX-OAQYLSRUSA-N 0 3 398.555 3.131 40 0 GGABHN Cc1cc(CN2CCCCC2)oc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000019119625 570957183 /nfs/dbraw/zinc/95/71/83/570957183.db2.gz FMHHRNPJAAJQSZ-UHFFFAOYSA-N 0 3 396.535 3.363 40 0 GGABHN COc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc1OC ZINC000019129248 570957763 /nfs/dbraw/zinc/95/77/63/570957763.db2.gz DKTJJZOPFAJKBB-INIZCTEOSA-N 0 3 381.480 3.017 40 0 GGABHN Cc1cc2nc([C@@H]3CCCN(Cc4cc5c(cc4C)OCO5)C3)cc(N)n2n1 ZINC000019125579 570957909 /nfs/dbraw/zinc/95/79/09/570957909.db2.gz DLHRCSRFJFHAIA-OAHLLOKOSA-N 0 3 379.464 3.037 40 0 GGABHN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1 ZINC000019132731 570958481 /nfs/dbraw/zinc/95/84/81/570958481.db2.gz NOYKNBWGDUAAKS-XLIONFOSSA-N 0 3 394.519 3.212 40 0 GGABHN Cc1ccc([C@@H](C)C(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)cc1 ZINC000019136149 570958930 /nfs/dbraw/zinc/95/89/30/570958930.db2.gz BXZHSGXQEOCDQC-MJGOQNOKSA-N 0 3 378.520 3.283 40 0 GGABHN Cc1ccc([C@H](C)C(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)cc1 ZINC000019136145 570958937 /nfs/dbraw/zinc/95/89/37/570958937.db2.gz BXZHSGXQEOCDQC-PKOBYXMFSA-N 0 3 378.520 3.283 40 0 GGABHN Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019135929 570959063 /nfs/dbraw/zinc/95/90/63/570959063.db2.gz FNCBIJOFLONZGR-PKOBYXMFSA-N 0 3 378.520 3.283 40 0 GGABHN COCCOc1cccc(CN2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)c1 ZINC000019216140 570961768 /nfs/dbraw/zinc/96/17/68/570961768.db2.gz GBLUHADQMKRTAQ-UNWVZKJWSA-N 0 3 382.504 3.145 40 0 GGABHN Cc1cccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c1C ZINC000019235671 570965997 /nfs/dbraw/zinc/96/59/97/570965997.db2.gz YRXNZHPAXNSZAA-LJQANCHMSA-N 0 3 394.519 3.260 40 0 GGABHN COc1c(C)cccc1CN1CCC[C@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019235977 570966340 /nfs/dbraw/zinc/96/63/40/570966340.db2.gz ZBSHNDKJBLCOBQ-IBGZPJMESA-N 0 3 394.519 3.078 40 0 GGABHN COc1ccccc1CN1C[C@@H](c2cccc(C)n2)[C@]2(C1)CCCCC(=O)N2 ZINC000019236390 570966460 /nfs/dbraw/zinc/96/64/60/570966460.db2.gz ZVBRYUKYQGGRQW-WMZHIEFXSA-N 0 3 379.504 3.427 40 0 GGABHN COc1cc2c(cc1CN1C[C@H]3CCC[C@@H](C1)C3(O)c1nccn1C)CCCC2 ZINC000019291369 570972407 /nfs/dbraw/zinc/97/24/07/570972407.db2.gz NJORXIYCMVQYBI-SVGJNIJCSA-N 0 3 395.547 3.427 40 0 GGABHN O=C(c1cc2c(s1)CCCCC2)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019292485 570972868 /nfs/dbraw/zinc/97/28/68/570972868.db2.gz XWVWNXXXYYLAHJ-QGZVFWFLSA-N 0 3 382.533 3.430 40 0 GGABHN O=C1CC[C@@H](NCc2cccn2-c2cccnc2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019341620 570977271 /nfs/dbraw/zinc/97/72/71/570977271.db2.gz SSDYMGLGZYCCER-CTNGQTDRSA-N 0 3 382.414 3.260 40 0 GGABHN O=C(NC1CC1)c1cc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 ZINC000019347025 570978221 /nfs/dbraw/zinc/97/82/21/570978221.db2.gz OORNBEFDGOOIMU-KRWDZBQOSA-N 0 3 376.460 3.495 40 0 GGABHN OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1C1CCCC1 ZINC000019404180 570983286 /nfs/dbraw/zinc/98/32/86/570983286.db2.gz HUGUKMFBNRUACV-HXUWFJFHSA-N 0 3 396.539 3.012 40 0 GGABHN CC(=O)N1CCc2nc([C@@H]3CCN(Cc4ccc(OC(C)C)cc4)C3)ncc2C1 ZINC000019450582 570984931 /nfs/dbraw/zinc/98/49/31/570984931.db2.gz BJPXBFJSZJXQHR-LJQANCHMSA-N 0 3 394.519 3.158 40 0 GGABHN CC(C)c1ccccc1OCC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019453373 570985960 /nfs/dbraw/zinc/98/59/60/570985960.db2.gz MHOPVPASRMACIK-HXUWFJFHSA-N 0 3 394.519 3.330 40 0 GGABHN C[C@H](CN1CCN(c2ccccc2[C@@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000019456189 570987224 /nfs/dbraw/zinc/98/72/24/570987224.db2.gz GMFMJFKXFWEDAR-AUSIDOKSSA-N 0 3 390.531 3.428 40 0 GGABHN CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000019498169 570990829 /nfs/dbraw/zinc/99/08/29/570990829.db2.gz IXSKRTKXRLKOJA-WAIKUNEKSA-N 0 3 379.504 3.494 40 0 GGABHN CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000019498171 570990926 /nfs/dbraw/zinc/99/09/26/570990926.db2.gz IXSKRTKXRLKOJA-MWTRTKDXSA-N 0 3 379.504 3.494 40 0 GGABHN CCC(CC)C(=O)N1CCC[C@@H]1CN1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000019500154 570992113 /nfs/dbraw/zinc/99/21/13/570992113.db2.gz ZFACJXXJYFWJHY-RTWAWAEBSA-N 0 3 387.568 3.238 40 0 GGABHN CCc1c(C)nc([C@@H]2CCCN(Cc3cc(COC)ccc3OC)C2)[nH]c1=O ZINC000019521540 570994468 /nfs/dbraw/zinc/99/44/68/570994468.db2.gz VDQXOPWFZSPBTF-QGZVFWFLSA-N 0 3 385.508 3.175 40 0 GGABHN CCc1nccn1CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C ZINC000019523509 570995865 /nfs/dbraw/zinc/99/58/65/570995865.db2.gz RTRVUMGMXUWXIZ-TXTKFYIRSA-N 0 3 380.536 3.315 40 0 GGABHN CCCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)CN3CCCCCC3)[nH]n2)c1C ZINC000019525850 570997285 /nfs/dbraw/zinc/99/72/85/570997285.db2.gz QAZGUVUQVKXYRW-HNNXBMFYSA-N 0 3 386.544 3.294 40 0 GGABHN CCN(CC)c1ncc2c(cc(C3CCN(Cc4ccccn4)CC3)[nH]c2=O)n1 ZINC000019526558 570997572 /nfs/dbraw/zinc/99/75/72/570997572.db2.gz GVDBVNBPPRICCF-UHFFFAOYSA-N 0 3 392.507 3.351 40 0 GGABHN CCOc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C1)OCO2 ZINC000019532399 570999149 /nfs/dbraw/zinc/99/91/49/570999149.db2.gz MVSOIITYNHJXIJ-XAEMIUIASA-N 0 3 396.487 3.247 40 0 GGABHN CCOc1ccc(CN2CCC(c3ncc4c(n3)CCN(C(C)=O)C4)CC2)cc1 ZINC000019533213 570999601 /nfs/dbraw/zinc/99/96/01/570999601.db2.gz BAEZOXJCJMKTHH-UHFFFAOYSA-N 0 3 394.519 3.160 40 0 GGABHN CCOc1ccc(CCC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019533147 570999699 /nfs/dbraw/zinc/99/96/99/570999699.db2.gz UGECFJMAQLSMGK-OAQYLSRUSA-N 0 3 394.519 3.207 40 0 GGABHN CCOc1ccc(CN2CC[C@@](O)(c3ccccc3)C2)cc1Cn1ccnc1 ZINC000019533669 570999718 /nfs/dbraw/zinc/99/97/18/570999718.db2.gz PLGGUOCZRLHCDZ-QHCPKHFHSA-N 0 3 377.488 3.424 40 0 GGABHN CCOc1ccc(CCC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019533130 570999792 /nfs/dbraw/zinc/99/97/92/570999792.db2.gz GQZQGUAIEYTBPX-OAQYLSRUSA-N 0 3 394.519 3.160 40 0 GGABHN COc1ccc(CC[C@@H]2CCCCN2Cc2cnc(N3CCOCC3)nc2)cc1 ZINC000019554632 571002861 /nfs/dbraw/zinc/00/28/61/571002861.db2.gz KVMIBADQIBNSLH-NRFANRHFSA-N 0 3 396.535 3.309 40 0 GGABHN Cc1nc2ccccn2c1CN1C[C@@H](c2cccnc2)[C@]2(C1)CCCCC(=O)N2 ZINC000019555023 571002929 /nfs/dbraw/zinc/00/29/29/571002929.db2.gz FLWLQRDQJXZPNX-WMZHIEFXSA-N 0 3 389.503 3.066 40 0 GGABHN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019565377 571007453 /nfs/dbraw/zinc/00/74/53/571007453.db2.gz LWNFTOMOEBNVBT-IBGZPJMESA-N 0 3 393.466 3.371 40 0 GGABHN Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019565835 571007726 /nfs/dbraw/zinc/00/77/26/571007726.db2.gz HQOGNFCHGBPIEB-LJQANCHMSA-N 0 3 375.476 3.232 40 0 GGABHN COc1ccccc1CN1CCC([C@@H](NC(=O)C(F)F)c2ccccn2)CC1 ZINC000019570084 571009653 /nfs/dbraw/zinc/00/96/53/571009653.db2.gz AWTGMRRKGAKUFV-LJQANCHMSA-N 0 3 389.446 3.425 40 0 GGABHN COc1ccccc1CN1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019570250 571009784 /nfs/dbraw/zinc/00/97/84/571009784.db2.gz WBYKSJLVVXNTSP-VNQPRFMTSA-N 0 3 377.439 3.189 40 0 GGABHN COc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c(C)c1C ZINC000019577293 571012368 /nfs/dbraw/zinc/01/23/68/571012368.db2.gz PIUCYBQFIZVPAI-IBGZPJMESA-N 0 3 390.487 3.447 40 0 GGABHN COc1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c(C)c1C ZINC000019577293 571012369 /nfs/dbraw/zinc/01/23/69/571012369.db2.gz PIUCYBQFIZVPAI-IBGZPJMESA-N 0 3 390.487 3.447 40 0 GGABHN COc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c(C)c1C ZINC000019577292 571012393 /nfs/dbraw/zinc/01/23/93/571012393.db2.gz PIUCYBQFIZVPAI-LJQANCHMSA-N 0 3 390.487 3.447 40 0 GGABHN COc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c(C)c1C ZINC000019577292 571012394 /nfs/dbraw/zinc/01/23/94/571012394.db2.gz PIUCYBQFIZVPAI-LJQANCHMSA-N 0 3 390.487 3.447 40 0 GGABHN Cc1oc2c(c1C(=O)N1CCC(c3ncc4c(n3)CCN(C)C4)CC1)CCCC2 ZINC000019581210 571012941 /nfs/dbraw/zinc/01/29/41/571012941.db2.gz NCHIAAOQNUEYBD-UHFFFAOYSA-N 0 3 394.519 3.265 40 0 GGABHN CN(C)[C@H](CNCc1cc(-c2ccccc2)cn2nnnc12)c1ccc(F)cc1 ZINC000019581503 571013509 /nfs/dbraw/zinc/01/35/09/571013509.db2.gz PVLKEBPDCOZKCD-OAQYLSRUSA-N 0 3 390.466 3.323 40 0 GGABHN CN(C)CCn1nc([C@H]2CCN(C(=O)CCC3CCCC3)C2)c2cccnc21 ZINC000019583160 571013984 /nfs/dbraw/zinc/01/39/84/571013984.db2.gz UPQLDHIKYFGFOU-SFHVURJKSA-N 0 3 383.540 3.279 40 0 GGABHN CN(C(=O)c1cc(C2CC2)on1)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586662 571015723 /nfs/dbraw/zinc/01/57/23/571015723.db2.gz LVHLVARUPWMLGL-UHFFFAOYSA-N 0 3 381.476 3.488 40 0 GGABHN CN1CCc2nc([C@@H]3CCCN(C(=O)c4cc5cc(F)ccc5[nH]4)C3)ncc2C1 ZINC000019590438 571017952 /nfs/dbraw/zinc/01/79/52/571017952.db2.gz JHARVZIFONIOCS-CQSZACIVSA-N 0 3 393.466 3.105 40 0 GGABHN CN1CCc2nc([C@H]3CCCN(C(=O)c4csc5c4CCCC5)C3)ncc2C1 ZINC000019590463 571018044 /nfs/dbraw/zinc/01/80/44/571018044.db2.gz DKWJCUZMOQAMAF-HNNXBMFYSA-N 0 3 396.560 3.425 40 0 GGABHN COc1cccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1OC ZINC000019590345 571018065 /nfs/dbraw/zinc/01/80/65/571018065.db2.gz LGQBURRUOHSEJJ-LJQANCHMSA-N 0 3 382.508 3.209 40 0 GGABHN CN1CCc2nc([C@H]3CCCN3C(=O)CCc3ccc(Cl)cc3)ncc2C1 ZINC000019590505 571018087 /nfs/dbraw/zinc/01/80/87/571018087.db2.gz DXDWFNPUGHGLHQ-LJQANCHMSA-N 0 3 384.911 3.414 40 0 GGABHN CN1CCc2nc([C@H]3CCCN3C(=O)c3cc4c(s3)CCCC4)ncc2C1 ZINC000019590545 571018214 /nfs/dbraw/zinc/01/82/14/571018214.db2.gz UTHGRUPXIWUARB-QGZVFWFLSA-N 0 3 382.533 3.382 40 0 GGABHN COCCOc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1 ZINC000019593674 571019809 /nfs/dbraw/zinc/01/98/09/571019809.db2.gz WXKYOVFNGORZCC-TYABSZSSSA-N 0 3 382.504 3.227 40 0 GGABHN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)Cc2ccc3[nH]cnc3c2)cc1 ZINC000019654733 571022870 /nfs/dbraw/zinc/02/28/70/571022870.db2.gz PQTJGHYRSYQIGJ-QFIPXVFZSA-N 0 3 387.443 3.011 40 0 GGABHN Cc1cc(C)n(C2CCN(Cc3ccccc3OCCN3CCCC3=O)CC2)n1 ZINC000019656734 571023809 /nfs/dbraw/zinc/02/38/09/571023809.db2.gz FZIUNPVWUTWKPZ-UHFFFAOYSA-N 0 3 396.535 3.338 40 0 GGABHN Cc1ccc2[nH]c(C3CCN(Cc4ccc5c(c4)n(C)c(=O)n5C)CC3)nc2c1 ZINC000019657903 571024513 /nfs/dbraw/zinc/02/45/13/571024513.db2.gz OVRFJPQGXIMPPW-UHFFFAOYSA-N 0 3 389.503 3.441 40 0 GGABHN Cc1ccc2nc(C3CCN(Cc4ccc5c(c4)n(C)c(=O)n5C)CC3)[nH]c2c1 ZINC000019657903 571024516 /nfs/dbraw/zinc/02/45/16/571024516.db2.gz OVRFJPQGXIMPPW-UHFFFAOYSA-N 0 3 389.503 3.441 40 0 GGABHN Cc1ccc(OCCN2CCCC2)c(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000019659716 571025474 /nfs/dbraw/zinc/02/54/74/571025474.db2.gz OHLMREOBXSMICX-QGZVFWFLSA-N 0 3 387.524 3.055 40 0 GGABHN Cc1ccc(OCCN2CCCC2)c(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000019659714 571025489 /nfs/dbraw/zinc/02/54/89/571025489.db2.gz OHLMREOBXSMICX-KRWDZBQOSA-N 0 3 387.524 3.055 40 0 GGABHN Cc1nn(C)cc1-c1cc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)[nH]n1 ZINC000019665316 571027428 /nfs/dbraw/zinc/02/74/28/571027428.db2.gz YGRKIWXRRGFAEV-OAQYLSRUSA-N 0 3 392.507 3.076 40 0 GGABHN CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)c3ccccc3)CC2)cc(C)n1 ZINC000019698233 571030509 /nfs/dbraw/zinc/03/05/09/571030509.db2.gz GBNRBNAFPPWZDY-JOCHJYFZSA-N 0 3 392.503 3.036 40 0 GGABHN CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3C(=O)CC3CCCC3)c2)CC1 ZINC000019698297 571030954 /nfs/dbraw/zinc/03/09/54/571030954.db2.gz LRSXHIDXZWBLAN-QFIPXVFZSA-N 0 3 398.551 3.302 40 0 GGABHN CCCc1cc(C(=O)N2CCC[C@H]2c2cc(N3CCN(C)CC3)cc(C)n2)no1 ZINC000019698347 571031022 /nfs/dbraw/zinc/03/10/22/571031022.db2.gz SGRNAKIWJDPEEI-NRFANRHFSA-N 0 3 397.523 3.060 40 0 GGABHN CCn1ccc(NC(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2)n1 ZINC000019706015 571031931 /nfs/dbraw/zinc/03/19/31/571031931.db2.gz VKQSVZCJCCHLFC-GOSISDBHSA-N 0 3 390.491 3.325 40 0 GGABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(Cc1c(C)cc(OC)c(C)c1C)C2 ZINC000019707470 571032752 /nfs/dbraw/zinc/03/27/52/571032752.db2.gz BRDKHOQGRRLFTA-LJQANCHMSA-N 0 3 395.551 3.435 40 0 GGABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)[C@H]1CCC(C)=C(C)C1)C2 ZINC000019711334 571035245 /nfs/dbraw/zinc/03/52/45/571035245.db2.gz WCWDHVSJAXJWCD-SFHVURJKSA-N 0 3 397.567 3.349 40 0 GGABHN COc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1C(C)(C)C ZINC000019715531 571037449 /nfs/dbraw/zinc/03/74/49/571037449.db2.gz VUEVJZIRWCUZOK-UHFFFAOYSA-N 0 3 380.554 3.242 40 0 GGABHN CCn1cc(NC(=O)CN2CCC[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)c(C)n1 ZINC000019715569 571037505 /nfs/dbraw/zinc/03/75/05/571037505.db2.gz RNIYKICLCANQOH-HNNXBMFYSA-N 0 3 398.486 3.120 40 0 GGABHN CN(Cc1ccc(N2CCCC2=O)cc1)Cc1ccccc1N1CCOCC1 ZINC000019715902 571037752 /nfs/dbraw/zinc/03/77/52/571037752.db2.gz QEPMWYNVBAPBQC-UHFFFAOYSA-N 0 3 379.504 3.282 40 0 GGABHN Cc1cc(C)n(Cc2cc(C(=O)N[C@H](C)CN3CCCC3)c3ccccc3n2)n1 ZINC000019716458 571038382 /nfs/dbraw/zinc/03/83/82/571038382.db2.gz ZEGACCIFZSOMHQ-QGZVFWFLSA-N 0 3 391.519 3.311 40 0 GGABHN COc1ccc(C2(CNC(=O)[C@H]3CCN3C3CCCCC3)CCOCC2)cc1 ZINC000019717668 571040580 /nfs/dbraw/zinc/04/05/80/571040580.db2.gz KXZAZSODJUNMCW-OAQYLSRUSA-N 0 3 386.536 3.267 40 0 GGABHN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000096024377 571095901 /nfs/dbraw/zinc/09/59/01/571095901.db2.gz CTBZCSWJXDUEHD-LJQANCHMSA-N 0 3 389.540 3.317 40 0 GGABHN COc1ccc(CN2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)cc1 ZINC000096050777 571097254 /nfs/dbraw/zinc/09/72/54/571097254.db2.gz QNCDSVSXVLFAIC-QFIPXVFZSA-N 0 3 380.444 3.053 40 0 GGABHN COc1ccc(CN2CCC3(C[C@@H](N(C)Cc4cccnc4)CO3)CC2)cc1 ZINC000096047986 571097368 /nfs/dbraw/zinc/09/73/68/571097368.db2.gz SOXVLUMUHDHLFM-OAQYLSRUSA-N 0 3 381.520 3.346 40 0 GGABHN CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21 ZINC000096052613 571097535 /nfs/dbraw/zinc/09/75/35/571097535.db2.gz YDLJGLCUMBLQBY-LJQANCHMSA-N 0 3 380.536 3.356 40 0 GGABHN Cn1cc(CN2CCC3(C[C@H](CC(=O)NCC4CC4)c4ccccc43)CC2)cn1 ZINC000096052667 571097695 /nfs/dbraw/zinc/09/76/95/571097695.db2.gz CPEFLDLQYXRYRM-FQEVSTJZSA-N 0 3 392.547 3.358 40 0 GGABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccoc1)CCC2 ZINC000096056075 571098002 /nfs/dbraw/zinc/09/80/02/571098002.db2.gz PRIQHHPIWVCDFD-REWPJTCUSA-N 0 3 397.519 3.260 40 0 GGABHN CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1CN(Cc1nccs1)CCC2 ZINC000096056030 571098052 /nfs/dbraw/zinc/09/80/52/571098052.db2.gz JHUARBGNARETKJ-PXNSSMCTSA-N 0 3 389.521 3.013 40 0 GGABHN CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000096056038 571098098 /nfs/dbraw/zinc/09/80/98/571098098.db2.gz ZJEHKNVNNHJRDB-UWJYYQICSA-N 0 3 385.533 3.425 40 0 GGABHN COC(=O)CCC(=O)N1CCC[C@]2(CCCN2Cc2ccc(Cl)cc2)C1 ZINC000096071314 571098405 /nfs/dbraw/zinc/09/84/05/571098405.db2.gz IWVZJHZMFFHJNR-FQEVSTJZSA-N 0 3 378.900 3.250 40 0 GGABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(Cc2cccnc2)[C@@H]3C)s1 ZINC000096062271 571098492 /nfs/dbraw/zinc/09/84/92/571098492.db2.gz SIJFPFSLWWJFRO-QGZVFWFLSA-N 0 3 385.533 3.234 40 0 GGABHN CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000096056128 571098541 /nfs/dbraw/zinc/09/85/41/571098541.db2.gz QUODAOVJMBUNGX-CVDCTZTESA-N 0 3 396.510 3.028 40 0 GGABHN CN(C)c1ncccc1CN1CC[C@H](c2cc(COc3ccccc3)[nH]n2)C1 ZINC000019704290 1399335420 /nfs/dbraw/zinc/33/54/20/1399335420.db2.gz ILARHSQAHZLPPI-KRWDZBQOSA-N 0 3 377.492 3.439 40 0 GGABHN CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2ccc(C(C)C)cc2)CC3)C1 ZINC000019709532 1399336126 /nfs/dbraw/zinc/33/61/26/1399336126.db2.gz SWHTUNLVNFYNSB-NRFANRHFSA-N 0 3 395.551 3.186 40 0 GGABHN CC(C)NC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 ZINC000025233489 1399777664 /nfs/dbraw/zinc/77/76/64/1399777664.db2.gz VDNHIRVTQXPZME-DLBZAZTESA-N 0 3 398.482 3.137 40 0 biogenic,in-vitro GGABHN CCOC(=O)C1=C(CN(C)C2CCCCCC2)NC(=O)N[C@@H]1c1ccco1 ZINC000029146762 1400247902 /nfs/dbraw/zinc/24/79/02/1400247902.db2.gz HQHQVYGVBUWJSO-GOSISDBHSA-N 0 3 375.469 3.105 40 0 GGABHN CCN1CCN(c2ccc(N[C@H](C)C(=O)NCc3cccs3)c(C)c2)CC1 ZINC000056170337 1407238492 /nfs/dbraw/zinc/23/84/92/1407238492.db2.gz YTVCZDISIDSITH-QGZVFWFLSA-N 0 3 386.565 3.315 40 0 GGABHN CCOc1cc([C@@H](N)c2n[nH]c(COc3ccc(Cl)cc3)n2)ccc1OC ZINC000095534363 1410315689 /nfs/dbraw/zinc/31/56/89/1410315689.db2.gz MFSQOGFGWQTZRF-GOSISDBHSA-N 0 3 388.855 3.493 40 0 GGABHN CC(C)n1cc2c3c1cccc3[C@H]1C[C@H](C(=O)N[C@@H]3CCC[C@@H]3O)CN(C)[C@H]1C2 ZINC000100308366 1410437741 /nfs/dbraw/zinc/43/77/41/1410437741.db2.gz IMSDOBUYDTVEHN-DUYZSDFPSA-N 0 3 395.547 3.212 40 0 GGABHN CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178012 209124097 /nfs/dbraw/zinc/12/40/97/209124097.db2.gz PYEVWJSAAWRELA-OTWHNJEPSA-N 0 3 375.513 3.056 40 0 GGABHN CCn1cc(-c2cc(C(=O)N3CCN4CCC[C@@H]4C3)c3ccccc3n2)cn1 ZINC000002809128 209115983 /nfs/dbraw/zinc/11/59/83/209115983.db2.gz GZPNMZRZDTZDOD-QGZVFWFLSA-N 0 3 375.476 3.038 40 0 GGABHN CN1CCC(NC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C2CC2)CC1 ZINC000002778808 209115765 /nfs/dbraw/zinc/11/57/65/209115765.db2.gz JUQVLIKHNWQHAF-UHFFFAOYSA-N 0 3 378.826 3.033 40 0 GGABHN CC(C)n1cnc([C@H]2CN(Cc3ccncc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306143469 209109393 /nfs/dbraw/zinc/10/93/93/209109393.db2.gz YCZUELUXYWMNCB-OFNKIYASSA-N 0 3 393.535 3.087 40 0 GGABHN Fc1ccc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306142812 209109195 /nfs/dbraw/zinc/10/91/95/209109195.db2.gz XKPXEKUAJOVTDL-SFHVURJKSA-N 0 3 395.482 3.085 40 0 GGABHN COc1ccc(CN2CC[C@]3(C2)COCC[C@H]3NC(=O)Cc2ccccc2)cc1 ZINC000306144702 209108686 /nfs/dbraw/zinc/10/86/86/209108686.db2.gz ZMNLKWUIJXDTHN-VWNXMTODSA-N 0 3 394.515 3.035 40 0 GGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccncc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306143468 209107764 /nfs/dbraw/zinc/10/77/64/209107764.db2.gz YCZUELUXYWMNCB-NZQKXSOJSA-N 0 3 393.535 3.087 40 0 GGABHN COc1ccc(-c2cnc3n2C[C@H]2CN(Cc4cccnc4OC)C[C@H]2C3)cc1 ZINC000306143811 209107456 /nfs/dbraw/zinc/10/74/56/209107456.db2.gz YNHLGPJMOVEZLT-RTBURBONSA-N 0 3 390.487 3.267 40 0 GGABHN CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN(CCO)Cc1ccccc1)C2 ZINC000035075015 206257746 /nfs/dbraw/zinc/25/77/46/206257746.db2.gz XDIUUVWHZNDBSJ-NNXSRULWSA-N 0 3 375.553 3.463 40 0 GGABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2cccc(OC(C)C)c2)CC1 ZINC000226259881 206259344 /nfs/dbraw/zinc/25/93/44/206259344.db2.gz ZNIKNYLGKVBGPL-UHFFFAOYSA-N 0 3 382.508 3.450 40 0 GGABHN Cc1cc2cc(CNc3ccc(N4CCNCC4)cc3C)c(=O)[nH]c2cc1C ZINC000013565058 206262237 /nfs/dbraw/zinc/26/22/37/206262237.db2.gz ZMFWYGWXYVLJKN-UHFFFAOYSA-N 0 3 376.504 3.475 40 0 GGABHN Cc1ccsc1CN1C[C@H]2[C@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306139227 209107081 /nfs/dbraw/zinc/10/70/81/209107081.db2.gz SSMZVMPVKAGDBS-OALUTQOASA-N 0 3 378.501 3.335 40 0 GGABHN Cc1cccc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306139556 209106290 /nfs/dbraw/zinc/10/62/90/209106290.db2.gz TUBKGIRNGRTHPR-FQEVSTJZSA-N 0 3 391.519 3.254 40 0 GGABHN Cn1nccc1-c1cnc2ncn(C3CCN(Cc4ccc(F)cc4)CC3)c2n1 ZINC000306141587 209106307 /nfs/dbraw/zinc/10/63/07/209106307.db2.gz WBIHSQZVPVOWIU-UHFFFAOYSA-N 0 3 391.454 3.203 40 0 GGABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(C)cc3)CC1)O2 ZINC000012293430 206877480 /nfs/dbraw/zinc/87/74/80/206877480.db2.gz KZCYXXTYFPBYDS-NHCUHLMSSA-N 0 3 383.488 3.388 40 0 GGABHN Cc1ccccc1C1(O)CCN(C[C@H](O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000012292129 206877892 /nfs/dbraw/zinc/87/78/92/206877892.db2.gz CESOKZYFHKXSJU-QFIPXVFZSA-N 0 3 394.515 3.139 40 0 GGABHN CCc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)N(C)C)cc1 ZINC000017795025 207091006 /nfs/dbraw/zinc/09/10/06/207091006.db2.gz ZONXCOXGWZGTID-SFHVURJKSA-N 0 3 383.517 3.326 40 0 GGABHN C/C(=C\c1ccccc1)CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 ZINC000019014350 207099741 /nfs/dbraw/zinc/09/97/41/207099741.db2.gz VWMYFUDVBCXXJR-XDJHFCHBSA-N 0 3 389.499 3.327 40 0 GGABHN COc1c(C)cccc1CN1CCC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019235976 207109758 /nfs/dbraw/zinc/10/97/58/207109758.db2.gz ZBSHNDKJBLCOBQ-LJQANCHMSA-N 0 3 394.519 3.078 40 0 GGABHN CC(=O)N1CCc2nc(C3CCN(Cc4c[nH]c5ccccc45)CC3)ncc2C1 ZINC000019018878 207101487 /nfs/dbraw/zinc/10/14/87/207101487.db2.gz FODINAKSTJNIPN-UHFFFAOYSA-N 0 3 389.503 3.242 40 0 GGABHN CC(=O)NCCn1nc([C@H]2CCN(Cc3ccccc3Cl)C2)c2cccnc21 ZINC000019021840 207101532 /nfs/dbraw/zinc/10/15/32/207101532.db2.gz HOUZKALNTDCHAP-KRWDZBQOSA-N 0 3 397.910 3.210 40 0 GGABHN Cc1ccc([C@H](C)C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1 ZINC000019135849 207104046 /nfs/dbraw/zinc/10/40/46/207104046.db2.gz FIBBJIWLWLOSQR-KRWDZBQOSA-N 0 3 378.520 3.283 40 0 GGABHN Cc1cc2ccccc2n1CCC(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019126835 207105201 /nfs/dbraw/zinc/10/52/01/207105201.db2.gz WGDSSTJYXXMWID-FQEVSTJZSA-N 0 3 389.503 3.139 40 0 GGABHN Cc1ccc(C2(CN3CCN(CC(C)(C)CN4CCOCC4)CC3)CC2)cc1 ZINC000019208403 207105746 /nfs/dbraw/zinc/10/57/46/207105746.db2.gz WPYSELMUCGDYGT-UHFFFAOYSA-N 0 3 385.596 3.003 40 0 GGABHN Cc1ccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)cc1C ZINC000019214085 207107331 /nfs/dbraw/zinc/10/73/31/207107331.db2.gz GWQQEJMKMOCDOA-HXUWFJFHSA-N 0 3 394.519 3.260 40 0 GGABHN CC(=O)N1CCc2nc(C3CCN(Cc4ccc(C)c(C)c4)CC3)ncc2C1 ZINC000019213949 207107540 /nfs/dbraw/zinc/10/75/40/207107540.db2.gz LDECZYIBLZZEPH-UHFFFAOYSA-N 0 3 378.520 3.378 40 0 GGABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019220402 207107830 /nfs/dbraw/zinc/10/78/30/207107830.db2.gz QJTXXGKFQOHJCG-GOSISDBHSA-N 0 3 376.460 3.463 40 0 GGABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019220420 207108361 /nfs/dbraw/zinc/10/83/61/207108361.db2.gz DQENDAVOBAABTG-SFHVURJKSA-N 0 3 376.460 3.463 40 0 GGABHN COc1c(C)cccc1C[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(-c3ccncc3)n2)C1 ZINC000019235908 207109711 /nfs/dbraw/zinc/10/97/11/207109711.db2.gz PZNWIYFZWCLTBG-QGZVFWFLSA-N 0 3 376.460 3.138 40 0 GGABHN COc1c(C)cccc1C[N@H+]1CC[C@@H](c2cc(=O)[n-]c(-c3ccncc3)n2)C1 ZINC000019235908 207109713 /nfs/dbraw/zinc/10/97/13/207109713.db2.gz PZNWIYFZWCLTBG-QGZVFWFLSA-N 0 3 376.460 3.138 40 0 GGABHN COCCOc1ccc(CN2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)cc1 ZINC000019237863 207111337 /nfs/dbraw/zinc/11/13/37/207111337.db2.gz FEKSQEWGJWJDGN-UNWVZKJWSA-N 0 3 382.504 3.145 40 0 GGABHN Cc1nccn1C[C@H](C)C(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019287652 207113139 /nfs/dbraw/zinc/11/31/39/207113139.db2.gz BOXMNWVCPNMZON-JVPSVYLMSA-N 0 3 396.535 3.150 40 0 GGABHN Cc1nc(C)n(C[C@@H](C)C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)n1 ZINC000019285917 207113149 /nfs/dbraw/zinc/11/31/49/207113149.db2.gz CPHCIXYNFCJHDM-UTKZUKDTSA-N 0 3 383.540 3.265 40 0 GGABHN CN(C(=O)c1cc(C2CC2)nn1C)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019288809 207113379 /nfs/dbraw/zinc/11/33/79/207113379.db2.gz RFAMPPZFYFENNJ-UHFFFAOYSA-N 0 3 394.519 3.233 40 0 GGABHN O=C(CCc1cccc(Cl)c1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019293370 207114507 /nfs/dbraw/zinc/11/45/07/207114507.db2.gz RJUQKIKLFUTIJK-MRXNPFEDSA-N 0 3 384.911 3.115 40 0 GGABHN c1ccc2c(CN(CCCN3CCOCC3)Cc3cccnc3)ccnc2c1 ZINC000019376053 207119333 /nfs/dbraw/zinc/11/93/33/207119333.db2.gz GIONNEITLGKDIY-UHFFFAOYSA-N 0 3 376.504 3.354 40 0 GGABHN O=C(CCc1nc2ccccc2s1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019376650 207119587 /nfs/dbraw/zinc/11/95/87/207119587.db2.gz VSVXGZJUJFSRQA-QGZVFWFLSA-N 0 3 393.516 3.028 40 0 GGABHN CC(=O)N1CCC(c2ncc3c(n2)CCN(C[C@@H](C)c2ccccc2)C3)CC1 ZINC000019456399 207123729 /nfs/dbraw/zinc/12/37/29/207123729.db2.gz QECOHRCNTQVKDB-QGZVFWFLSA-N 0 3 378.520 3.364 40 0 GGABHN C[C@@H]1C[C@H](C)CN(CCNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)C1 ZINC000019462573 207123948 /nfs/dbraw/zinc/12/39/48/207123948.db2.gz BDYPUITYUCIVNT-CALCHBBNSA-N 0 3 396.535 3.232 40 0 GGABHN C[C@@H](CN1CCN(c2ccccc2[C@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000019456191 207124237 /nfs/dbraw/zinc/12/42/37/207124237.db2.gz GMFMJFKXFWEDAR-CVDCTZTESA-N 0 3 390.531 3.428 40 0 GGABHN C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000019497337 207125244 /nfs/dbraw/zinc/12/52/44/207125244.db2.gz AMYNROMYPWFMNB-IAGOWNOFSA-N 0 3 382.508 3.039 40 0 GGABHN CCN1CCC[C@H]1CN(Cc1ccnn1[C@@H]1CCCCO1)Cc1cccnc1 ZINC000019527194 207128636 /nfs/dbraw/zinc/12/86/36/207128636.db2.gz DHVVKSGVYXWJFQ-UNMCSNQZSA-N 0 3 383.540 3.464 40 0 GGABHN CCCn1ncc(C(=O)N(Cc2ccccc2OC)C2CCN(C)CC2)c1C ZINC000019525855 207128770 /nfs/dbraw/zinc/12/87/70/207128770.db2.gz WHAVBHSAGQSZLW-UHFFFAOYSA-N 0 3 384.524 3.347 40 0 GGABHN COc1cc(CN2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)ccc1OC(F)F ZINC000019550116 207130192 /nfs/dbraw/zinc/13/01/92/207130192.db2.gz QYURNUVEQFFWMA-MRUHUIDDSA-N 0 3 390.430 3.421 40 0 GGABHN CCOc1cc2c(cc1CN1C[C@H]3CCC[C@@H](C1)C3(O)c1nccn1C)CCC2 ZINC000019532409 207130736 /nfs/dbraw/zinc/13/07/36/207130736.db2.gz HQKBAZLBPXQUEI-SVGJNIJCSA-N 0 3 395.547 3.427 40 0 GGABHN CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1C2=O ZINC000019450004 207122613 /nfs/dbraw/zinc/12/26/13/207122613.db2.gz KGZYARLRMUTUAQ-XUZZJYLKSA-N 0 3 376.500 3.459 40 0 GGABHN CC1(C)Cc2nc(C3CCN(C[C@H](O)c4ccccc4)CC3)ncc2[C@@H](O)C1 ZINC000019461369 207123168 /nfs/dbraw/zinc/12/31/68/207123168.db2.gz OUHYGBOHEDGUPR-SFTDATJTSA-N 0 3 381.520 3.395 40 0 GGABHN COc1ccc2nc(CN3CC[C@@H](c4nnc(-c5cnccn5)o4)C3)ccc2c1 ZINC000019563677 207134051 /nfs/dbraw/zinc/13/40/51/207134051.db2.gz VHMJCHROPRVZIG-OAHLLOKOSA-N 0 3 388.431 3.073 40 0 GGABHN COc1ccc2c(c1)C=C(CN1C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C1)CO2 ZINC000019562285 207134587 /nfs/dbraw/zinc/13/45/87/207134587.db2.gz RCDBROWAZZRCQN-WGGBDISSSA-N 0 3 378.472 3.096 40 0 GGABHN COc1cc(C)c(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc1OC ZINC000019567082 207136089 /nfs/dbraw/zinc/13/60/89/207136089.db2.gz JIGNWCVJWXVNJF-MRXNPFEDSA-N 0 3 395.507 3.325 40 0 GGABHN COc1cc(C)c(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1C ZINC000019567252 207136450 /nfs/dbraw/zinc/13/64/50/207136450.db2.gz GSJOKQOUXOXVDU-GOSISDBHSA-N 0 3 390.487 3.447 40 0 GGABHN COc1cc(C)c(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1C ZINC000019567252 207136453 /nfs/dbraw/zinc/13/64/53/207136453.db2.gz GSJOKQOUXOXVDU-GOSISDBHSA-N 0 3 390.487 3.447 40 0 GGABHN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019565342 207136631 /nfs/dbraw/zinc/13/66/31/207136631.db2.gz XRNDRDHWSVNRJP-CQSZACIVSA-N 0 3 393.466 3.023 40 0 GGABHN Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)c1 ZINC000019569726 207136698 /nfs/dbraw/zinc/13/66/98/207136698.db2.gz RXMCSTNJQZDPOY-UWJYYQICSA-N 0 3 394.519 3.260 40 0 GGABHN COc1ccc(CCCC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c(C)c1 ZINC000019570577 207136736 /nfs/dbraw/zinc/13/67/36/207136736.db2.gz UHGULZXXUJEYSB-NRFANRHFSA-N 0 3 394.519 3.126 40 0 GGABHN COc1cc(C)c(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1C ZINC000019567255 207136761 /nfs/dbraw/zinc/13/67/61/207136761.db2.gz GSJOKQOUXOXVDU-SFHVURJKSA-N 0 3 390.487 3.447 40 0 GGABHN COc1cc(C)c(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1C ZINC000019567255 207136766 /nfs/dbraw/zinc/13/67/66/207136766.db2.gz GSJOKQOUXOXVDU-SFHVURJKSA-N 0 3 390.487 3.447 40 0 GGABHN Cc1cc(C)cc(O[C@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)c1 ZINC000019569717 207136781 /nfs/dbraw/zinc/13/67/81/207136781.db2.gz RXMCSTNJQZDPOY-DYESRHJHSA-N 0 3 394.519 3.260 40 0 GGABHN Cc1cc(C)n(-c2cccc(CN3CCC(O)(Cn4ccnc4C)CC3)c2)n1 ZINC000019574837 207138090 /nfs/dbraw/zinc/13/80/90/207138090.db2.gz HDUSJYKTCXCOLV-UHFFFAOYSA-N 0 3 379.508 3.021 40 0 GGABHN CN(C)[C@@H](CNCc1cc(-c2ccccc2)cn2nnnc12)c1ccc(F)cc1 ZINC000019581500 207139183 /nfs/dbraw/zinc/13/91/83/207139183.db2.gz PVLKEBPDCOZKCD-NRFANRHFSA-N 0 3 390.466 3.323 40 0 GGABHN COc1ccc(CN2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)cc1 ZINC000019585770 207139204 /nfs/dbraw/zinc/13/92/04/207139204.db2.gz DNINGILMTIOCDL-UHFFFAOYSA-N 0 3 393.491 3.185 40 0 GGABHN Cc1sc(NC(=O)CN(C)C2CCN(C)CC2)nc1-c1ccc(F)cc1 ZINC000019555557 207132275 /nfs/dbraw/zinc/13/22/75/207132275.db2.gz UDAQKWZYRADMNZ-UHFFFAOYSA-N 0 3 376.501 3.222 40 0 GGABHN Cc1nc2ccccn2c1CN1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019555020 207132397 /nfs/dbraw/zinc/13/23/97/207132397.db2.gz VKJGIVOMGIIMAD-FDDCHVKYSA-N 0 3 389.503 3.066 40 0 GGABHN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCCCN2CC2CC2)n1 ZINC000019687705 207149445 /nfs/dbraw/zinc/14/94/45/207149445.db2.gz ZCHHLDLFBRPISB-LJQANCHMSA-N 0 3 379.508 3.246 40 0 GGABHN Cc1nn(C)cc1-c1cc(C(=O)NC2(CN3CCCCC3)CCCCC2)no1 ZINC000019584048 207140556 /nfs/dbraw/zinc/14/05/56/207140556.db2.gz IZVSVLAHNDWALK-UHFFFAOYSA-N 0 3 385.512 3.302 40 0 GGABHN CN1CCC[C@H](c2ncc3c(n2)CCN(C(=O)c2csc4c2CCCC4)C3)C1 ZINC000019588660 207141112 /nfs/dbraw/zinc/14/11/12/207141112.db2.gz SHISGFOKQNLOCV-HNNXBMFYSA-N 0 3 396.560 3.425 40 0 GGABHN CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cccnc2)C1 ZINC000019591767 207141207 /nfs/dbraw/zinc/14/12/07/207141207.db2.gz KKMOIIUCTCCSJE-DEOSSOPVSA-N 0 3 386.499 3.324 40 0 GGABHN CN1CCc2nc([C@@H]3CCCN(C(=O)CCCc4ccc(F)cc4)C3)ncc2C1 ZINC000019590382 207141697 /nfs/dbraw/zinc/14/16/97/207141697.db2.gz IOQOQEPBCIHHHT-GOSISDBHSA-N 0 3 396.510 3.333 40 0 GGABHN COc1cccc(CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c1 ZINC000019589238 207142072 /nfs/dbraw/zinc/14/20/72/207142072.db2.gz LSQOSEOZRYPTAH-MQSCRBSSSA-N 0 3 382.479 3.466 40 0 GGABHN COc1ccc(OC)c(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019590321 207142820 /nfs/dbraw/zinc/14/28/20/207142820.db2.gz XNUZLTTXRNMQHY-FQEVSTJZSA-N 0 3 382.508 3.209 40 0 GGABHN COc1cc(OC)cc(-c2nnc(NC(=O)C[C@H]3CCCCN3C)s2)c1 ZINC000019659462 207144889 /nfs/dbraw/zinc/14/48/89/207144889.db2.gz KCEYUTHXBGZSGM-CYBMUJFWSA-N 0 3 376.482 3.035 40 0 GGABHN Cc1cc(C)n(C2CCN(Cc3ccc(OCCN4CCCC4=O)cc3)CC2)n1 ZINC000019656701 207145498 /nfs/dbraw/zinc/14/54/98/207145498.db2.gz NMGZVHCITDFJJH-UHFFFAOYSA-N 0 3 396.535 3.338 40 0 GGABHN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)Cc2ccc3[nH]cnc3c2)cc1 ZINC000019654735 207145561 /nfs/dbraw/zinc/14/55/61/207145561.db2.gz PQTJGHYRSYQIGJ-JOCHJYFZSA-N 0 3 387.443 3.011 40 0 GGABHN Cc1ccc(C(=O)NCCN2CC[C@H](c3ccccc3)C2)cc1N1CCOCC1 ZINC000019664073 207146764 /nfs/dbraw/zinc/14/67/64/207146764.db2.gz RCVRLJXFIUQNRG-QFIPXVFZSA-N 0 3 393.531 3.051 40 0 GGABHN Cc1cccn2c(=O)c(C(=O)Nc3cccc(CN4CCC(C)CC4)c3)cnc12 ZINC000019714715 207151602 /nfs/dbraw/zinc/15/16/02/207151602.db2.gz LHSJSXAATIQGCN-UHFFFAOYSA-N 0 3 390.487 3.487 40 0 GGABHN CCn1cc(NC(=O)CN2CCC[C@H](Cc3nc4ccc(F)cc4[nH]3)C2)c(C)n1 ZINC000019715570 207153687 /nfs/dbraw/zinc/15/36/87/207153687.db2.gz RNIYKICLCANQOH-OAHLLOKOSA-N 0 3 398.486 3.120 40 0 GGABHN CC(C)(CN1CCCCC1)NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000019716644 207154064 /nfs/dbraw/zinc/15/40/64/207154064.db2.gz HGDONXSNYRYZKT-LJQANCHMSA-N 0 3 393.959 3.094 40 0 GGABHN O=C(c1cnn2c1nccc2-c1ccccc1)N1CCC[C@H](N2CCCC2)C1 ZINC000019717025 207154339 /nfs/dbraw/zinc/15/43/39/207154339.db2.gz NSENEJSDJAQPDZ-SFHVURJKSA-N 0 3 375.476 3.097 40 0 GGABHN CC(C)(C)[C@@H]1CCc2n[nH]c(C(=O)NC3CCN(Cc4ccccn4)CC3)c2C1 ZINC000019718915 207156141 /nfs/dbraw/zinc/15/61/41/207156141.db2.gz BSGGUUHVZMIFCF-MRXNPFEDSA-N 0 3 395.551 3.350 40 0 GGABHN Cc1nccn1C[C@H]1CCCN(C(=O)CC2CCN(Cc3ccccn3)CC2)C1 ZINC000019748300 207158382 /nfs/dbraw/zinc/15/83/82/207158382.db2.gz NEZVYXKXIJSOLZ-OAQYLSRUSA-N 0 3 395.551 3.127 40 0 GGABHN CC(C)CNC(=O)c1cc([C@@H]2CCN(Cc3ccnn3C)C2)nc2ccccc21 ZINC000019762685 207161358 /nfs/dbraw/zinc/16/13/58/207161358.db2.gz FOHPGHCGPCNKKU-QGZVFWFLSA-N 0 3 391.519 3.344 40 0 GGABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccccc1F ZINC000019819053 207164107 /nfs/dbraw/zinc/16/41/07/207164107.db2.gz ACFDTCKYPXVRQK-OAHLLOKOSA-N 0 3 382.391 3.264 40 0 GGABHN COC(=O)C1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000022914021 207263127 /nfs/dbraw/zinc/26/31/27/207263127.db2.gz MTJNYWMYIZHYLD-UHFFFAOYSA-N 0 3 392.499 3.270 40 0 GGABHN COC(=O)[C@H]1CN(Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000026894904 207320964 /nfs/dbraw/zinc/32/09/64/207320964.db2.gz UJEVWDXQMBNUIO-GOSISDBHSA-N 0 3 388.508 3.309 40 0 GGABHN CCN(CC)[C@H](CNC(=O)CNC(=O)c1ccc(C)c(C)c1)c1ccccc1 ZINC000039975671 207336449 /nfs/dbraw/zinc/33/64/49/207336449.db2.gz PUPRTMBBLWBSQC-OAQYLSRUSA-N 0 3 381.520 3.233 40 0 GGABHN CN(C)CCN(CCc1ccccc1)C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000040107795 207340401 /nfs/dbraw/zinc/34/04/01/207340401.db2.gz AOIVMKVEFGRJLZ-UHFFFAOYSA-N 0 3 392.503 3.302 40 0 GGABHN CCN(CC)[C@@H](CNC(=O)NCc1ccc2c(c1)OCO2)c1ccsc1 ZINC000031097199 207380404 /nfs/dbraw/zinc/38/04/04/207380404.db2.gz NPLXZDFSSLXUFU-INIZCTEOSA-N 0 3 375.494 3.359 40 0 GGABHN COC[C@@H]1CN(CCc2ccccc2)CCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000072354492 208001138 /nfs/dbraw/zinc/00/11/38/208001138.db2.gz BDBLWMCMJQPZTK-OAQYLSRUSA-N 0 3 384.495 3.018 40 0 GGABHN COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)CCc2ccccc2)C1 ZINC000072354465 208001358 /nfs/dbraw/zinc/00/13/58/208001358.db2.gz CDNGPGSYOBGRDD-QHCPKHFHSA-N 0 3 380.532 3.269 40 0 GGABHN Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)C4CCN(C)CC4)C3)n2)c1 ZINC000072359848 208003675 /nfs/dbraw/zinc/00/36/75/208003675.db2.gz XXINJWMOGKUKJJ-FQEVSTJZSA-N 0 3 378.520 3.500 40 0 GGABHN CN1CCC(C(=O)N2CCC[C@@H](c3nccnc3-c3ccc(F)cc3)C2)CC1 ZINC000072359206 208003958 /nfs/dbraw/zinc/00/39/58/208003958.db2.gz ZVONCIOCOOQJJS-GOSISDBHSA-N 0 3 382.483 3.331 40 0 GGABHN Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)C4CCN(C)CC4)C3)n2)c1 ZINC000072359847 208004183 /nfs/dbraw/zinc/00/41/83/208004183.db2.gz XXINJWMOGKUKJJ-HXUWFJFHSA-N 0 3 378.520 3.500 40 0 GGABHN CC(=O)N1CCC(N2CCC(c3nccnc3Oc3ccccc3)CC2)CC1 ZINC000072363006 208004937 /nfs/dbraw/zinc/00/49/37/208004937.db2.gz LWORQORNNZLHHI-UHFFFAOYSA-N 0 3 380.492 3.459 40 0 GGABHN CC(=O)N1CCC(N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)CC1 ZINC000072363014 208005518 /nfs/dbraw/zinc/00/55/18/208005518.db2.gz MIFHZRZSNLMBTO-GOSISDBHSA-N 0 3 380.492 3.459 40 0 GGABHN Cn1nccc1CN1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371587 208005603 /nfs/dbraw/zinc/00/56/03/208005603.db2.gz SDPIGHGYQSUMSL-HNNXBMFYSA-N 0 3 385.899 3.408 40 0 GGABHN Cn1nccc1CN1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371587 208005610 /nfs/dbraw/zinc/00/56/10/208005610.db2.gz SDPIGHGYQSUMSL-HNNXBMFYSA-N 0 3 385.899 3.408 40 0 GGABHN c1cc(CN2CCc3nnc([C@H]4CCCCN4)n3CC2)cc(OC2CCCC2)c1 ZINC000072372833 208006823 /nfs/dbraw/zinc/00/68/23/208006823.db2.gz GCMGBTFLKVSEPA-OAQYLSRUSA-N 0 3 395.551 3.472 40 0 GGABHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000084504677 208090861 /nfs/dbraw/zinc/09/08/61/208090861.db2.gz GIAVJPQSOZPCGO-CYBMUJFWSA-N 0 3 391.393 3.054 40 0 GGABHN CCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1 ZINC000096145863 208273393 /nfs/dbraw/zinc/27/33/93/208273393.db2.gz LAQAHHJNPQOPSZ-OALUTQOASA-N 0 3 386.517 3.123 40 0 GGABHN Cc1nc(CN2C(=O)COC3(CCN(Cc4cccs4)CC3)[C@@H]2C)cs1 ZINC000096062275 208257729 /nfs/dbraw/zinc/25/77/29/208257729.db2.gz BAKVTHOLSIHBJQ-AWEZNQCLSA-N 0 3 391.562 3.295 40 0 GGABHN Cc1nc(CN2C(=O)COC3(CCN(Cc4ccsc4)CC3)[C@H]2C)cs1 ZINC000096062278 208258287 /nfs/dbraw/zinc/25/82/87/208258287.db2.gz AKWPPDKIXCOCFR-CQSZACIVSA-N 0 3 391.562 3.295 40 0 GGABHN CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1CN(Cc1ccc(C)o1)CCC2 ZINC000096056031 208258608 /nfs/dbraw/zinc/25/86/08/208258608.db2.gz PIWHXJBDLHAFRC-UGKGYDQZSA-N 0 3 386.492 3.458 40 0 GGABHN O=C(c1cccc2cccnc21)N1CCC[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096076310 208261110 /nfs/dbraw/zinc/26/11/10/208261110.db2.gz RCBIHLNFZMMBHH-HSZRJFAPSA-N 0 3 379.504 3.199 40 0 GGABHN Cn1cc(CN2CCC(c3cc4c(ncn4C)c(-c4cccnc4)n3)CC2)cn1 ZINC000096099944 208263454 /nfs/dbraw/zinc/26/34/54/208263454.db2.gz WBQBGDCXSPCERT-UHFFFAOYSA-N 0 3 387.491 3.143 40 0 GGABHN CC(C)Nc1nc2c(cc1C(=O)NCC1CC1)CCN(Cc1cccnc1)CC2 ZINC000096100427 208264146 /nfs/dbraw/zinc/26/41/46/208264146.db2.gz QLQFXEJQOIGVKC-UHFFFAOYSA-N 0 3 393.535 3.038 40 0 GGABHN CC(C)N1CCN(c2ccc3ccc(C(=O)NCc4cccs4)cn32)CC1 ZINC000096156089 208279856 /nfs/dbraw/zinc/27/98/56/208279856.db2.gz FRPHSJPYCXMZCO-UHFFFAOYSA-N 0 3 382.533 3.461 40 0 GGABHN COc1ccc(CN2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000096244255 208293032 /nfs/dbraw/zinc/29/30/32/208293032.db2.gz YCFMZVIHGCQTAP-QHCPKHFHSA-N 0 3 388.471 3.221 40 0 GGABHN Cn1cc(CN2CCC3(CC2)CN(Cc2ccncc2)Cc2ccccc23)cn1 ZINC000096242578 208294193 /nfs/dbraw/zinc/29/41/93/208294193.db2.gz JMIZZHZESHXVGR-UHFFFAOYSA-N 0 3 387.531 3.365 40 0 GGABHN CC(C)Nc1nc2c(cc1C(=O)N1CCCC1)CCN(Cc1cccnc1)CC2 ZINC000096260473 208294547 /nfs/dbraw/zinc/29/45/47/208294547.db2.gz QIBSOXAJEFBIRU-UHFFFAOYSA-N 0 3 393.535 3.134 40 0 GGABHN CC(C)Nc1nc2c(cc1C(=O)N(C)C)CCN(Cc1ccccc1F)CC2 ZINC000096260441 208294724 /nfs/dbraw/zinc/29/47/24/208294724.db2.gz VJZIACPHQPYEJV-UHFFFAOYSA-N 0 3 384.499 3.344 40 0 GGABHN CN(C)C(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1ccccc1F)CC2 ZINC000096260578 208295523 /nfs/dbraw/zinc/29/55/23/208295523.db2.gz HSENZXKQFJGMNN-UHFFFAOYSA-N 0 3 396.510 3.345 40 0 GGABHN CN(C)CCNC(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 ZINC000096266440 208297675 /nfs/dbraw/zinc/29/76/75/208297675.db2.gz DUAICQXBMDNYPU-UHFFFAOYSA-N 0 3 389.503 3.314 40 0 GGABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)c1 ZINC000101055424 208385753 /nfs/dbraw/zinc/38/57/53/208385753.db2.gz OJHPYDFJLAURAB-NJYVYQBISA-N 0 3 385.423 3.441 40 0 GGABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@@H]2C1=O ZINC000101054131 208386206 /nfs/dbraw/zinc/38/62/06/208386206.db2.gz OKIOGBUHXQLPFA-ACRUOGEOSA-N 0 3 385.423 3.441 40 0 GGABHN O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccc(Cl)cc2)CC1 ZINC000306135584 209104237 /nfs/dbraw/zinc/10/42/37/209104237.db2.gz OVGBHYCDFILDDW-UHFFFAOYSA-N 0 3 399.926 3.052 40 0 GGABHN CC(C)n1cnc([C@H]2CN(Cc3ccoc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306137316 209103719 /nfs/dbraw/zinc/10/37/19/209103719.db2.gz QSPFZTCTYCSCOY-DENIHFKCSA-N 0 3 382.508 3.285 40 0 GGABHN Cc1cccc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)n1 ZINC000306129810 209100205 /nfs/dbraw/zinc/10/02/05/209100205.db2.gz INNIFPVWTRHGKB-SFHVURJKSA-N 0 3 376.508 3.413 40 0 GGABHN CC(C)[C@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000022929073 208858159 /nfs/dbraw/zinc/85/81/59/208858159.db2.gz ZDPHUUGOSRQQEK-OAQYLSRUSA-N 0 3 382.556 3.369 40 0 GGABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)cn1 ZINC000225945285 208984567 /nfs/dbraw/zinc/98/45/67/208984567.db2.gz AMDZKSASPRZLHQ-UHFFFAOYSA-N 0 3 397.475 3.201 40 0 GGABHN CCc1nccn1CC1CCN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CC1 ZINC000062129731 209003130 /nfs/dbraw/zinc/00/31/30/209003130.db2.gz NPCGSIONOVXVJR-UHFFFAOYSA-N 0 3 393.491 3.397 40 0 GGABHN CC(C)N1CCN(c2cnc3ccc(C(=O)N4CCCC[C@@H]4C)cc3n2)CC1 ZINC000306126087 209096938 /nfs/dbraw/zinc/09/69/38/209096938.db2.gz DMAPZBYYYAJBHZ-KRWDZBQOSA-N 0 3 381.524 3.175 40 0 GGABHN COc1ccc(CNC[C@H]2Cn3cc(-c4ccccc4OC)nc3CO2)cc1 ZINC000096112893 209008724 /nfs/dbraw/zinc/00/87/24/209008724.db2.gz FRCVCAPCZIBINM-SFHVURJKSA-N 0 3 379.460 3.256 40 0 biogenic,in-vitro GGABHN FC(F)(F)c1cccc(N2CCN(C3CCN(Cc4ccco4)CC3)CC2)n1 ZINC000244909661 209026566 /nfs/dbraw/zinc/02/65/66/209026566.db2.gz APKPNNSMEIVBLY-UHFFFAOYSA-N 0 3 394.441 3.480 40 0 GGABHN CC(=O)Nc1cccc([C@@H]2CN(Cc3ccccn3)C[C@]23CCCCC(=O)N3)c1 ZINC000257204235 209056354 /nfs/dbraw/zinc/05/63/54/209056354.db2.gz ATQZFGODXBEBFR-JTHBVZDNSA-N 0 3 392.503 3.068 40 0 GGABHN CNC(=O)c1sc2nc([C@@]3(C)CCCN(Cc4cccnc4)C3)ccc2c1N ZINC000257222519 209056816 /nfs/dbraw/zinc/05/68/16/209056816.db2.gz DTPHUXKZCNDNJE-NRFANRHFSA-N 0 3 395.532 3.187 40 0 GGABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000257215862 209058163 /nfs/dbraw/zinc/05/81/63/209058163.db2.gz CRZRSSJSNDCCTK-OAHLLOKOSA-N 0 3 392.500 3.259 40 0 GGABHN CNC(=O)c1sc2nc([C@@]3(C)CCCN(Cc4ccccn4)C3)ccc2c1N ZINC000257260254 209062141 /nfs/dbraw/zinc/06/21/41/209062141.db2.gz LCAADDSZJDXTOK-NRFANRHFSA-N 0 3 395.532 3.187 40 0 GGABHN NS(=O)(=O)c1ccc(CCNCc2ccccc2OCc2ccccc2)cc1 ZINC000016480784 221363017 /nfs/dbraw/zinc/36/30/17/221363017.db2.gz AFERUERNZNLZHK-UHFFFAOYSA-N 0 3 396.512 3.245 40 0 GGABHN Cc1nc([C@@H]2CCN(Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257299421 209070036 /nfs/dbraw/zinc/07/00/36/209070036.db2.gz RPZYISXAGGJXFQ-GOSISDBHSA-N 0 3 384.499 3.289 40 0 GGABHN C[C@H](N)C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257289745 209069512 /nfs/dbraw/zinc/06/95/12/209069512.db2.gz PZZXPBZIBCTLJQ-ZOSLDDFPSA-N 0 3 378.900 3.153 40 0 GGABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCC[C@H](Cc3cc[nH]n3)C2)CC1 ZINC000257302884 209070795 /nfs/dbraw/zinc/07/07/95/209070795.db2.gz SEVDNDFBKGFHNM-HXUWFJFHSA-N 0 3 380.536 3.146 40 0 GGABHN O=C(CNCCCN1CCCC1=O)N1c2ccccc2Sc2ccccc21 ZINC000003338958 136193550 /nfs/dbraw/zinc/19/35/50/136193550.db2.gz CTZDQLGYLBRHIJ-UHFFFAOYSA-N 0 3 381.501 3.418 40 0 GGABHN CCN1CCN(c2ccc(NC(=O)CCc3cccc(OC)c3OC)cc2)CC1 ZINC000011948420 136199914 /nfs/dbraw/zinc/19/99/14/136199914.db2.gz MSOHIJJTSYAKOO-UHFFFAOYSA-N 0 3 397.519 3.417 40 0 GGABHN COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2cn(C)nc2C)cc1 ZINC000257314435 209075013 /nfs/dbraw/zinc/07/50/13/209075013.db2.gz UWYAVPLHUGEWRJ-YADHBBJMSA-N 0 3 396.535 3.283 40 0 GGABHN COc1cccc(-c2cccc(CC3(C(=O)NCCN(C)C)CCOCC3)c2)c1 ZINC000257325638 209075827 /nfs/dbraw/zinc/07/58/27/209075827.db2.gz WTUARWOWYFSKRA-UHFFFAOYSA-N 0 3 396.531 3.379 40 0 GGABHN CC(=O)NCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 ZINC000257335268 209077842 /nfs/dbraw/zinc/07/78/42/209077842.db2.gz YJKRJHRXYRXBNL-GOSISDBHSA-N 0 3 380.492 3.284 40 0 GGABHN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccccc2N2CCCCC2)C1 ZINC000257342014 209078147 /nfs/dbraw/zinc/07/81/47/209078147.db2.gz ZMSJMFWSDZZXEH-IBGZPJMESA-N 0 3 395.551 3.481 40 0 GGABHN COc1cccc(CN2CCC(c3cncc(Nc4cnccn4)n3)CC2)c1 ZINC000257333834 209079183 /nfs/dbraw/zinc/07/91/83/209079183.db2.gz YDGOVCDCTQFMAT-UHFFFAOYSA-N 0 3 376.464 3.398 40 0 GGABHN COc1ccccc1CN1CCC2(C[C@@]3(CO2)Nc2ccccc2C(=O)N3)CC1 ZINC000072325395 222227024 /nfs/dbraw/zinc/22/70/24/222227024.db2.gz LZCLNUZVPNOXNM-HSZRJFAPSA-N 0 3 393.487 3.002 40 0 GGABHN COc1ccccc1CNC(=O)c1cnc(C2CCN(C(C)C)CC2)nc1C ZINC000072345597 222233224 /nfs/dbraw/zinc/23/32/24/222233224.db2.gz KZVMBNFWENZQLI-UHFFFAOYSA-N 0 3 382.508 3.311 40 0 GGABHN COc1ccc(Cc2cccc(C3CCN(C(=O)CN4CCCC4)CC3)n2)cc1 ZINC000072349732 222235910 /nfs/dbraw/zinc/23/59/10/222235910.db2.gz NBWYGLOQRHSSSU-UHFFFAOYSA-N 0 3 393.531 3.483 40 0 GGABHN O=C(CCc1nc2ccccc2s1)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000072390805 222246785 /nfs/dbraw/zinc/24/67/85/222246785.db2.gz POCTWMZYCUSRIQ-QGZVFWFLSA-N 0 3 393.516 3.028 40 0 GGABHN O=C(CCc1nc2ccccc2s1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000072390804 222247480 /nfs/dbraw/zinc/24/74/80/222247480.db2.gz POCTWMZYCUSRIQ-KRWDZBQOSA-N 0 3 393.516 3.028 40 0 GGABHN NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(Cc2ccccn2)C1 ZINC000072391233 222248279 /nfs/dbraw/zinc/24/82/79/222248279.db2.gz OFKVAMQTCGUYCX-DEOSSOPVSA-N 0 3 386.499 3.454 40 0 GGABHN NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(Cc2ccccn2)C1 ZINC000072391234 222248683 /nfs/dbraw/zinc/24/86/83/222248683.db2.gz OFKVAMQTCGUYCX-XMMPIXPASA-N 0 3 386.499 3.454 40 0 GGABHN NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccccn2)C1 ZINC000072391308 222249559 /nfs/dbraw/zinc/24/95/59/222249559.db2.gz NZGUGQFIYVSFMQ-XMMPIXPASA-N 0 3 386.499 3.454 40 0 GGABHN COc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(=O)[n-]c(-c3cccnc3)n2)C1 ZINC000072393053 222252170 /nfs/dbraw/zinc/25/21/70/222252170.db2.gz QSZSUOIFVXYPDI-QGZVFWFLSA-N 0 3 376.460 3.220 40 0 GGABHN COc1ccccc1C[N@H+]1CCC[C@@H](c2cc(=O)[n-]c(-c3cccnc3)n2)C1 ZINC000072393053 222252175 /nfs/dbraw/zinc/25/21/75/222252175.db2.gz QSZSUOIFVXYPDI-QGZVFWFLSA-N 0 3 376.460 3.220 40 0 GGABHN CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000242688658 529039656 /nfs/dbraw/zinc/03/96/56/529039656.db2.gz VWCAYWFJICFXTB-BJLQDIEVSA-N 0 3 387.524 3.198 40 0 GGABHN CC1=C[C@H](C)[C@H](CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)CC1 ZINC000072335586 535252188 /nfs/dbraw/zinc/25/21/88/535252188.db2.gz ZXYQNHFYMWQQER-MLHJIOFPSA-N 0 3 386.540 3.146 40 0 GGABHN CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(CC3CCCC3)C[C@H]21 ZINC000514290343 560029864 /nfs/dbraw/zinc/02/98/64/560029864.db2.gz XXGZVBSFUAZMLU-IRLDBZIGSA-N 0 3 377.488 3.456 40 0 biogenic,in-vitro GGABHN COCCN1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(C)o3)C[C@H]2C(C)C)CC1 ZINC000035442637 560079822 /nfs/dbraw/zinc/07/98/22/560079822.db2.gz OHNSINRVMNRNCQ-ACRUOGEOSA-N 0 3 390.572 3.039 40 0 biogenic,in-vitro GGABHN O=c1ccc(-c2cncnc2)c2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 ZINC000005439538 560202146 /nfs/dbraw/zinc/20/21/46/560202146.db2.gz LPAMIHGLFMLPIB-DLBZAZTESA-N 0 3 376.435 3.064 40 0 biogenic,in-vitro GGABHN Cn1c(SCCN2CCCC2)nnc1[C@@H]1CCCN1Cc1cccs1 ZINC000005001555 564210297 /nfs/dbraw/zinc/21/02/97/564210297.db2.gz LDASGURLOORQQU-INIZCTEOSA-N 0 3 377.583 3.402 40 0 GGABHN CCOc1c(Br)cc(Br)cc1CNC(C)(C)CO ZINC000008253300 564248131 /nfs/dbraw/zinc/24/81/31/564248131.db2.gz QAIPXYAKEGIPBJ-UHFFFAOYSA-N 0 3 381.108 3.471 40 0 GGABHN O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccc(Br)cc1 ZINC000022586055 564318207 /nfs/dbraw/zinc/31/82/07/564318207.db2.gz HIILCDDOBKOGHX-UHFFFAOYSA-N 0 3 380.330 3.338 40 0 GGABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2cccc(Br)c2)C1 ZINC000035622942 564416093 /nfs/dbraw/zinc/41/60/93/564416093.db2.gz GWDHQNZKRBNVSU-GJZGRUSLSA-N 0 3 384.318 3.048 40 0 GGABHN CCN1CCC(NC(=O)[C@H](Oc2ccccc2Br)C(C)C)CC1 ZINC000045059321 564477942 /nfs/dbraw/zinc/47/79/42/564477942.db2.gz WWVUBKNZKCHBSM-QGZVFWFLSA-N 0 3 383.330 3.453 40 0 GGABHN COC[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218485862 565899273 /nfs/dbraw/zinc/89/92/73/565899273.db2.gz GJCRAEQRDWZTAZ-CEXWTWQISA-N 0 3 379.909 3.180 40 0 GGABHN COC[C@@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218485947 565899716 /nfs/dbraw/zinc/89/97/16/565899716.db2.gz GJCRAEQRDWZTAZ-FHWLQOOXSA-N 0 3 379.909 3.180 40 0 GGABHN COC[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218637018 565900483 /nfs/dbraw/zinc/90/04/83/565900483.db2.gz KHSLPZBXVIELKS-OKZBNKHCSA-N 0 3 383.872 3.010 40 0 GGABHN COC[C@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218641379 565900585 /nfs/dbraw/zinc/90/05/85/565900585.db2.gz BOFBDLZDQRTNGN-OKZBNKHCSA-N 0 3 383.872 3.010 40 0 GGABHN Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCN([C@@H]2CCSC2)CC1 ZINC000225573075 565915321 /nfs/dbraw/zinc/91/53/21/565915321.db2.gz JSXXFPNQHGXDEM-MRXNPFEDSA-N 0 3 388.986 3.144 40 0 GGABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000242464076 565983715 /nfs/dbraw/zinc/98/37/15/565983715.db2.gz DVBIBJWYSPYWCO-GUDVDZBRSA-N 0 3 379.909 3.261 40 0 GGABHN CCOC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242464078 565983778 /nfs/dbraw/zinc/98/37/78/565983778.db2.gz DVBIBJWYSPYWCO-IPMKNSEASA-N 0 3 379.909 3.261 40 0 GGABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1 ZINC000242425544 565984143 /nfs/dbraw/zinc/98/41/43/565984143.db2.gz BOFBDLZDQRTNGN-KZNAEPCWSA-N 0 3 383.872 3.010 40 0 GGABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 ZINC000242495538 565984235 /nfs/dbraw/zinc/98/42/35/565984235.db2.gz GJCRAEQRDWZTAZ-GUDVDZBRSA-N 0 3 379.909 3.180 40 0 GGABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000005100268 570223703 /nfs/dbraw/zinc/22/37/03/570223703.db2.gz JSTGERLJWPAZMN-HBMCJLEFSA-N 0 3 385.423 3.441 40 0 GGABHN COc1cccc(CN[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCCCC2)c1 ZINC000585262378 570230067 /nfs/dbraw/zinc/23/00/67/570230067.db2.gz DLVBSWAQQNAQEX-LWSSLDFYSA-N 0 3 396.531 3.220 40 0 GGABHN NC1(C(=O)N2CCC[C@H](c3cccc(-c4cnc5ccc(Cl)cn54)n3)C2)CC1 ZINC000585262752 570230560 /nfs/dbraw/zinc/23/05/60/570230560.db2.gz CCQZNDSHCZIGLT-AWEZNQCLSA-N 0 3 395.894 3.247 40 0 GGABHN CCCc1cnc(Nc2ccnc(C3CCN(C(=O)C(C)(C)N)CC3)n2)s1 ZINC000585263243 570231710 /nfs/dbraw/zinc/23/17/10/570231710.db2.gz RTIUUCDBDJIZTF-UHFFFAOYSA-N 0 3 388.541 3.073 40 0 GGABHN Cc1cc(O[C@H]2CN(Cc3ccc(OCC(C)(C)O)cc3)C[C@@H]2O)cc(C)c1C ZINC000585269140 570234527 /nfs/dbraw/zinc/23/45/27/570234527.db2.gz OEHCJCKWLZEKIA-GOTSBHOMSA-N 0 3 399.531 3.386 40 0 GGABHN CCN1CCN(Cc2ccc(CNC(=O)CCCc3ccccc3)cc2)CC1 ZINC000048340316 570239046 /nfs/dbraw/zinc/23/90/46/570239046.db2.gz AXGHWVWXJJVLGV-UHFFFAOYSA-N 0 3 379.548 3.463 40 0 GGABHN COc1cccc(OC[C@H](O)CNCc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000585284350 570253388 /nfs/dbraw/zinc/25/33/88/570253388.db2.gz KAJTVLSMWIPZET-GOSISDBHSA-N 0 3 382.460 3.095 40 0 GGABHN COc1ccccc1OC[C@H](O)CNCc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000585284982 570254199 /nfs/dbraw/zinc/25/41/99/570254199.db2.gz MTYULOKPQRFXPE-GOSISDBHSA-N 0 3 382.460 3.095 40 0 GGABHN COc1ccccc1OC[C@H](O)CNCc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000585285843 570255315 /nfs/dbraw/zinc/25/53/15/570255315.db2.gz UJRFXNMDUXUOQS-QGZVFWFLSA-N 0 3 382.460 3.095 40 0 GGABHN FC(F)(F)c1nc(-c2cc([C@H]3CCCN(Cc4cncnc4)C3)ccn2)no1 ZINC000585289935 570257709 /nfs/dbraw/zinc/25/77/09/570257709.db2.gz NKBICEKOONVGEB-AWEZNQCLSA-N 0 3 390.369 3.320 40 0 GGABHN Cc1cccc(Nc2cc([C@H]3CCCN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)n1 ZINC000585292742 570261191 /nfs/dbraw/zinc/26/11/91/570261191.db2.gz SCWDAEHAUIPSIE-DBEXCURXSA-N 0 3 394.523 3.056 40 0 GGABHN Cc1cnc(Nc2cc(C3CCN(C(=O)/C=C/CN(C)C)CC3)ccn2)s1 ZINC000585292613 570261817 /nfs/dbraw/zinc/26/18/17/570261817.db2.gz PQFUKVVILJYEAJ-SNAWJCMRSA-N 0 3 385.537 3.414 40 0 GGABHN Cc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc(F)c(F)c4)C3=O)c2c1 ZINC000102242170 570287889 /nfs/dbraw/zinc/28/78/89/570287889.db2.gz GAPMDSORTLACLS-IBGZPJMESA-N 0 3 383.398 3.219 40 0 GGABHN COc1cc(OC)cc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000104566354 570303210 /nfs/dbraw/zinc/30/32/10/570303210.db2.gz LNEZVNWXEAGTSP-UHFFFAOYSA-N 0 3 384.476 3.107 40 0 GGABHN Fc1ccc(CN2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000107248515 570309057 /nfs/dbraw/zinc/30/90/57/570309057.db2.gz AHGUMKRQOWCVCL-QFIPXVFZSA-N 0 3 376.435 3.352 40 0 GGABHN CC(C)(CNC(=O)/C=C/c1ccc2c(c1)OCO2)N1CCc2ccccc2C1 ZINC000029160795 570408833 /nfs/dbraw/zinc/40/88/33/570408833.db2.gz IYOFQVLQFXUQLU-CSKARUKUSA-N 0 3 378.472 3.382 40 0 GGABHN COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000004866550 570413551 /nfs/dbraw/zinc/41/35/51/570413551.db2.gz XISFUQHYAOBCMD-UHFFFAOYSA-N 0 3 384.476 3.107 40 0 GGABHN CCC(=O)NCC1(c2ccccc2)CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000005046315 570425818 /nfs/dbraw/zinc/42/58/18/570425818.db2.gz MMFQWLSKHSJMBY-FQEVSTJZSA-N 0 3 394.515 3.386 40 0 GGABHN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000223042844 570439356 /nfs/dbraw/zinc/43/93/56/570439356.db2.gz KCMOFSWHMVXLJK-WOJBJXKFSA-N 0 3 393.516 3.276 40 0 GGABHN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000223042735 570439549 /nfs/dbraw/zinc/43/95/49/570439549.db2.gz KCMOFSWHMVXLJK-UXHICEINSA-N 0 3 393.516 3.276 40 0 GGABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)CC2)c1 ZINC000039757452 570448643 /nfs/dbraw/zinc/44/86/43/570448643.db2.gz YUNAKPPTDWHOMA-UHFFFAOYSA-N 0 3 392.503 3.036 40 0 GGABHN COc1ccc2cc(S(=O)(=O)NCCCN3CCC[C@@H](C)C3)ccc2c1 ZINC000223214056 570450341 /nfs/dbraw/zinc/45/03/41/570450341.db2.gz XVHYCLBGDQZRPX-MRXNPFEDSA-N 0 3 376.522 3.249 40 0 GGABHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C1CC1 ZINC000223258734 570453786 /nfs/dbraw/zinc/45/37/86/570453786.db2.gz KHEPSSFXZYPMLB-UXHICEINSA-N 0 3 383.565 3.369 40 0 GGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 ZINC000223261929 570454230 /nfs/dbraw/zinc/45/42/30/570454230.db2.gz BCAFAHZFWQBJJR-PMACEKPBSA-N 0 3 395.532 3.059 40 0 GGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000223276948 570455769 /nfs/dbraw/zinc/45/57/69/570455769.db2.gz CJOLPAWEDBGIJF-LEWJYISDSA-N 0 3 391.544 3.406 40 0 GGABHN Cc1cccc(N2CCN(CCCCNC(=O)Cc3ccc(F)cc3)CC2)c1 ZINC000026964257 570459721 /nfs/dbraw/zinc/45/97/21/570459721.db2.gz ZNDDSXFBPMNLMR-UHFFFAOYSA-N 0 3 383.511 3.395 40 0 GGABHN COCCOc1cc(CN(C)C[C@@H](O)Cn2ccc3ccccc32)ccc1OC ZINC000257209390 570487455 /nfs/dbraw/zinc/48/74/55/570487455.db2.gz BQECFMVEZIFSKI-HXUWFJFHSA-N 0 3 398.503 3.168 40 0 GGABHN CN(Cc1ccc(OCc2nccn2C)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257248969 570488057 /nfs/dbraw/zinc/48/80/57/570488057.db2.gz JGBHZRKSQTXSRQ-LJQANCHMSA-N 0 3 387.524 3.141 40 0 GGABHN COc1cccc(OCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000224529154 570516652 /nfs/dbraw/zinc/51/66/52/570516652.db2.gz VCSFSWJHVQZSQW-UHFFFAOYSA-N 0 3 382.504 3.411 40 0 GGABHN COc1ccc(OCCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000224531258 570516808 /nfs/dbraw/zinc/51/68/08/570516808.db2.gz IHPGTZDMIMTQOO-UHFFFAOYSA-N 0 3 382.504 3.411 40 0 GGABHN COc1cc(C)c(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1C ZINC000224803832 570531294 /nfs/dbraw/zinc/53/12/94/570531294.db2.gz UTNFXXXPXWSKAG-UHFFFAOYSA-N 0 3 388.533 3.386 40 0 GGABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000002322990 570543441 /nfs/dbraw/zinc/54/34/41/570543441.db2.gz YDZKQEDKBUHTJD-NJYVYQBISA-N 0 3 385.423 3.441 40 0 GGABHN COc1cc2c(cc1OC)C(=O)[C@H]([C@@H](O)C1CCN(Cc3ccccc3)CC1)C2 ZINC000034964949 570548707 /nfs/dbraw/zinc/54/87/07/570548707.db2.gz QKRVJLPAJNHQKT-REWPJTCUSA-N 0 3 395.499 3.332 40 0 in-vitro GGABHN Cc1cccc(CN2CCC(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)c1 ZINC000225269265 570560677 /nfs/dbraw/zinc/56/06/77/570560677.db2.gz RCCODRYMTSTNRO-HXUWFJFHSA-N 0 3 380.488 3.163 40 0 GGABHN COc1ccccc1CN(C(=O)c1ccc2c(c1)ncn2C)C1CCN(C)CC1 ZINC000036751962 570569986 /nfs/dbraw/zinc/56/99/86/570569986.db2.gz NIFXAWOCXZHGBE-UHFFFAOYSA-N 0 3 392.503 3.319 40 0 GGABHN O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850768 570587531 /nfs/dbraw/zinc/58/75/31/570587531.db2.gz LYIQXVWCMHGJPY-JOCHJYFZSA-N 0 3 395.522 3.382 40 0 GGABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1 ZINC000225571164 570589317 /nfs/dbraw/zinc/58/93/17/570589317.db2.gz JJTJRXJLGWHNNB-UHFFFAOYSA-N 0 3 386.467 3.453 40 0 GGABHN CCc1ccc(NC(=O)CC2C(=O)N(CCOC)c3nc4ccccc4n32)cc1 ZINC000039963955 570594717 /nfs/dbraw/zinc/59/47/17/570594717.db2.gz JUOIJZMPPCIPAM-IBGZPJMESA-N 0 3 392.459 3.162 40 0 GGABHN COc1ccc(C)cc1NC(=O)CC1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964146 570594820 /nfs/dbraw/zinc/59/48/20/570594820.db2.gz LABZYPTWZRYKGE-GOSISDBHSA-N 0 3 390.443 3.432 40 0 GGABHN COCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2)n2c3ccccc3nc21 ZINC000039963958 570594837 /nfs/dbraw/zinc/59/48/37/570594837.db2.gz HKOBHHQMVDLTND-QGZVFWFLSA-N 0 3 398.850 3.253 40 0 GGABHN CCN1CCN(c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)CC1 ZINC000011947431 570595403 /nfs/dbraw/zinc/59/54/03/570595403.db2.gz YQXKWSNLAVFZJL-UHFFFAOYSA-N 0 3 377.444 3.187 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H]1CN(C(=O)OCc1ccccc1)C(C)C ZINC000079413380 570597937 /nfs/dbraw/zinc/59/79/37/570597937.db2.gz LCOIWWBKCHWJAB-MOPGFXCFSA-N 0 3 375.513 3.008 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079413525 570597962 /nfs/dbraw/zinc/59/79/62/570597962.db2.gz RSYIGWJCRVMOAS-UXHICEINSA-N 0 3 387.524 3.152 40 0 GGABHN CC(C)[C@H](N)C(=O)NC1CCC(N(C(=O)OCc2ccccc2)C(C)C)CC1 ZINC000079413459 570597987 /nfs/dbraw/zinc/59/79/87/570597987.db2.gz WOHFPTHUTMULHV-MHJFOBGBSA-N 0 3 389.540 3.444 40 0 GGABHN CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079393329 570598061 /nfs/dbraw/zinc/59/80/61/570598061.db2.gz POHDTHQSOOFQGB-QYZOEREBSA-N 0 3 375.513 3.056 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCC[C@H](CN(C(=O)OCc2ccccc2)C(C)C)C1 ZINC000079413445 570598131 /nfs/dbraw/zinc/59/81/31/570598131.db2.gz DANWENPQPTYEQU-PMACEKPBSA-N 0 3 389.540 3.256 40 0 GGABHN COc1ccc(CN2CCC(CNC(=O)c3c(OC)cccc3OC)CC2)cc1 ZINC000012115066 570609957 /nfs/dbraw/zinc/60/99/57/570609957.db2.gz GNRZRYSOANJQAC-UHFFFAOYSA-N 0 3 398.503 3.354 40 0 GGABHN COc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1OC ZINC000225742611 570611805 /nfs/dbraw/zinc/61/18/05/570611805.db2.gz SPBUHPDGIRZSAA-UHFFFAOYSA-N 0 3 385.533 3.439 40 0 GGABHN CCN1CCC[C@@H](NC(=O)Cn2ccc3ccnc(-c4cccc(OC)c4)c32)C1 ZINC000012134766 570614217 /nfs/dbraw/zinc/61/42/17/570614217.db2.gz TWDVWLGBHRPBQB-LJQANCHMSA-N 0 3 392.503 3.312 40 0 GGABHN CCN1CCC[C@H](NC(=O)Cn2ccc3ccnc(-c4cccc(OC)c4)c32)C1 ZINC000012134768 570614241 /nfs/dbraw/zinc/61/42/41/570614241.db2.gz TWDVWLGBHRPBQB-IBGZPJMESA-N 0 3 392.503 3.312 40 0 GGABHN CCCCNC(=S)N(CCN(C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004133511 570618307 /nfs/dbraw/zinc/61/83/07/570618307.db2.gz GKMYBLOUXDJOQA-UHFFFAOYSA-N 0 3 388.581 3.183 40 0 GGABHN CN1CCN(C(=O)[C@]23CCC[C@H]2N(Cc2ccc(F)c(F)c2)CC=CC3)CC1 ZINC000012183459 570619923 /nfs/dbraw/zinc/61/99/23/570619923.db2.gz GOFXZLIQHBWHBC-IFMALSPDSA-N 0 3 389.490 3.040 40 0 GGABHN COc1ncc(C2(O)CCN(Cc3c(C)oc4ccccc43)CC2)c(OC)n1 ZINC000012186364 570620771 /nfs/dbraw/zinc/62/07/71/570620771.db2.gz OECORTSXWQIKML-UHFFFAOYSA-N 0 3 383.448 3.032 40 0 GGABHN Cc1ccccc1CN1CCC(O)(Cn2nc(-c3cccs3)ccc2=O)CC1 ZINC000012186595 570620855 /nfs/dbraw/zinc/62/08/55/570620855.db2.gz DNVNSVVQQWASFV-UHFFFAOYSA-N 0 3 395.528 3.307 40 0 GGABHN Cc1cc2oc(C(=O)Nc3nnc(CCN4CCCC4)s3)cc(=O)c2cc1C ZINC000012203387 570624927 /nfs/dbraw/zinc/62/49/27/570624927.db2.gz RUOQSHCAGDEULM-UHFFFAOYSA-N 0 3 398.488 3.152 40 0 GGABHN COc1ccc(CN2CCC(c3noc([C@H]4CCC(=O)N4)n3)CC2)c(C)c1C ZINC000012233750 570629532 /nfs/dbraw/zinc/62/95/32/570629532.db2.gz PDUOBVSGLJBKGD-QGZVFWFLSA-N 0 3 384.480 3.026 40 0 GGABHN COc1cc(CN2Cc3ccccc3O[C@@H](CN(C)C)C2)cc(OC)c1OC ZINC000012235323 570629636 /nfs/dbraw/zinc/62/96/36/570629636.db2.gz OHJGXAUEBDKWGH-SFHVURJKSA-N 0 3 386.492 3.037 40 0 GGABHN Cc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000012292128 570633263 /nfs/dbraw/zinc/63/32/63/570633263.db2.gz CESOKZYFHKXSJU-JOCHJYFZSA-N 0 3 394.515 3.139 40 0 GGABHN Cc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012292261 570633281 /nfs/dbraw/zinc/63/32/81/570633281.db2.gz AASNDHQKIZGRDE-HXUWFJFHSA-N 0 3 383.488 3.173 40 0 GGABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)CCO2 ZINC000012293371 570633695 /nfs/dbraw/zinc/63/36/95/570633695.db2.gz BEPIPKUFMUQCAU-UXHICEINSA-N 0 3 381.472 3.006 40 0 GGABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)c1 ZINC000013514124 570634077 /nfs/dbraw/zinc/63/40/77/570634077.db2.gz OJHPYDFJLAURAB-ACRUOGEOSA-N 0 3 385.423 3.441 40 0 GGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1OC ZINC000012293788 570634244 /nfs/dbraw/zinc/63/42/44/570634244.db2.gz UWWRGVFMAIMQML-RTBURBONSA-N 0 3 399.487 3.088 40 0 GGABHN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CNC2CCCCCC2)cc1 ZINC000004895835 570636938 /nfs/dbraw/zinc/63/69/38/570636938.db2.gz YQIUGVUSVMVBCV-HNNXBMFYSA-N 0 3 381.542 3.014 40 0 GGABHN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329819 570644043 /nfs/dbraw/zinc/64/40/43/570644043.db2.gz XKYWIJLQIPZDAS-MOPGFXCFSA-N 0 3 389.879 3.430 40 0 GGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(OC)ccc2O3)cc1 ZINC000012329891 570644072 /nfs/dbraw/zinc/64/40/72/570644072.db2.gz RFQCGOZYYCFGSF-RTWAWAEBSA-N 0 3 399.487 3.088 40 0 GGABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)cc1C ZINC000012329488 570644160 /nfs/dbraw/zinc/64/41/60/570644160.db2.gz HNBYDFLZEPWAKS-LEWJYISDSA-N 0 3 383.488 3.393 40 0 GGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000012329934 570644187 /nfs/dbraw/zinc/64/41/87/570644187.db2.gz FHRIOUBPRHPYLS-PMACEKPBSA-N 0 3 387.451 3.218 40 0 GGABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)c1 ZINC000012330014 570644200 /nfs/dbraw/zinc/64/42/00/570644200.db2.gz LQVVICKPMRXUQH-LEWJYISDSA-N 0 3 399.487 3.088 40 0 GGABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)cc1C ZINC000012329486 570644203 /nfs/dbraw/zinc/64/42/03/570644203.db2.gz HNBYDFLZEPWAKS-SFTDATJTSA-N 0 3 383.488 3.393 40 0 GGABHN Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329831 570644213 /nfs/dbraw/zinc/64/42/13/570644213.db2.gz XKYWIJLQIPZDAS-RBUKOAKNSA-N 0 3 389.879 3.430 40 0 GGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012329950 570644219 /nfs/dbraw/zinc/64/42/19/570644219.db2.gz IJAFPRBYYFLANK-SFTDATJTSA-N 0 3 383.488 3.388 40 0 GGABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012329367 570644222 /nfs/dbraw/zinc/64/42/22/570644222.db2.gz SADXNRTZMQJCNS-RTWAWAEBSA-N 0 3 396.487 3.029 40 0 GGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012329954 570644235 /nfs/dbraw/zinc/64/42/35/570644235.db2.gz IJAFPRBYYFLANK-LEWJYISDSA-N 0 3 383.488 3.388 40 0 GGABHN Cc1nc2c(c(N3CCN4CCCC[C@@H]4C3)n1)CCN(Cc1ccccc1)C2 ZINC000012338368 570645290 /nfs/dbraw/zinc/64/52/90/570645290.db2.gz WRGAWXOSVNTDKQ-HXUWFJFHSA-N 0 3 377.536 3.018 40 0 GGABHN Cc1ccccc1NC(=O)NC1(C(=O)N2CCN3CCC[C@H]3C2)CCCCC1 ZINC000004981882 570655960 /nfs/dbraw/zinc/65/59/60/570655960.db2.gz LPYZIZBAZXMNHW-SFHVURJKSA-N 0 3 384.524 3.126 40 0 GGABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000057225277 570701697 /nfs/dbraw/zinc/70/16/97/570701697.db2.gz BHMRQBQSUOOMBE-UHFFFAOYSA-N 0 3 386.467 3.453 40 0 GGABHN Cc1cc(NC[C@H](c2ccc(F)cc2)N(C)C)n2nc(C(F)(F)F)nc2n1 ZINC000052486117 570750569 /nfs/dbraw/zinc/75/05/69/570750569.db2.gz GRXFMVRDKCJEOJ-CYBMUJFWSA-N 0 3 382.365 3.305 40 0 GGABHN Cc1cc(NC[C@@H](c2ccc(F)cc2)N(C)C)n2nc(C(F)(F)F)nc2n1 ZINC000052486116 570750673 /nfs/dbraw/zinc/75/06/73/570750673.db2.gz GRXFMVRDKCJEOJ-ZDUSSCGKSA-N 0 3 382.365 3.305 40 0 GGABHN Cc1ccc(CN2CC[C@H](c3nc(C)c(CC(=O)N(C)C)c(C)n3)C2)cc1C ZINC000257234729 570766413 /nfs/dbraw/zinc/76/64/13/570766413.db2.gz GUWHTCBWFPRRJE-FQEVSTJZSA-N 0 3 380.536 3.330 40 0 GGABHN CC(=O)Nc1ccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)cc1 ZINC000257239672 570767905 /nfs/dbraw/zinc/76/79/05/570767905.db2.gz HQHYQBUFOHNXPB-WXFUMESZSA-N 0 3 391.515 3.481 40 0 GGABHN C[C@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000022025104 570777603 /nfs/dbraw/zinc/77/76/03/570777603.db2.gz AGMYPTNWJXRIAL-SFHVURJKSA-N 0 3 393.531 3.124 40 0 GGABHN CCN(CC)CCNCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000022029863 570778297 /nfs/dbraw/zinc/77/82/97/570778297.db2.gz XHJNTDZDGXRUNZ-UHFFFAOYSA-N 0 3 387.911 3.441 40 0 GGABHN COCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010433905 570790089 /nfs/dbraw/zinc/79/00/89/570790089.db2.gz GGEBACAHYLSGNZ-UHFFFAOYSA-N 0 3 395.503 3.301 40 0 GGABHN COc1ccccc1OCCNC[C@H](O)COCC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000013026939 570818659 /nfs/dbraw/zinc/81/86/59/570818659.db2.gz ZEJJOFIBBRLTQC-FHWLQOOXSA-N 0 3 375.509 3.034 40 0 GGABHN O=C(CCc1cccc(F)c1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000032827698 570840586 /nfs/dbraw/zinc/84/05/86/570840586.db2.gz ZHOYZINYDWHUGE-UHFFFAOYSA-N 0 3 383.511 3.082 40 0 GGABHN CCN1CCC[C@H]1CNc1c2c(nc3cc(C4CCOCC4)nn31)CCCC2 ZINC000072336899 570879910 /nfs/dbraw/zinc/87/99/10/570879910.db2.gz BHJJBNQONGTISX-KRWDZBQOSA-N 0 3 383.540 3.398 40 0 GGABHN Cc1nn(CC(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)c(C)c1C ZINC000257284508 570902754 /nfs/dbraw/zinc/90/27/54/570902754.db2.gz PCYIMNLLQHYWRN-JTAQYXEDSA-N 0 3 397.567 3.429 40 0 GGABHN Cc1ncc(CN2CCC[C@@]3(CCC(=O)N3Cc3cncs3)CC2)s1 ZINC000585100700 570925191 /nfs/dbraw/zinc/92/51/91/570925191.db2.gz UBJDMGWKBVOHAD-GOSISDBHSA-N 0 3 376.551 3.455 40 0 GGABHN CC(C)C[C@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000019446899 570925977 /nfs/dbraw/zinc/92/59/77/570925977.db2.gz IQKXIGKBCUTSBJ-OAQYLSRUSA-N 0 3 382.556 3.369 40 0 GGABHN Cc1c(CN2CCC[C@]3(CCC(=O)N3C[C@H]3CCCO3)CC2)nc2ccccn12 ZINC000585099850 570926424 /nfs/dbraw/zinc/92/64/24/570926424.db2.gz IMJAENNKHWJFGO-XXBNENTESA-N 0 3 396.535 3.169 40 0 GGABHN O=C(COc1ccc2ccccc2c1)N1CCC[C@]2(CCN2C[C@@H]2CCCO2)C1 ZINC000585101873 570927494 /nfs/dbraw/zinc/92/74/94/570927494.db2.gz JWCNQOOJDJSGQR-UPVQGACJSA-N 0 3 394.515 3.465 40 0 GGABHN CCOC[C@@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218586392 570930306 /nfs/dbraw/zinc/93/03/06/570930306.db2.gz JWMXIIRJSKXPSF-UFYCRDLUSA-N 0 3 377.481 3.055 40 0 GGABHN CCOC[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218586243 570930379 /nfs/dbraw/zinc/93/03/79/570930379.db2.gz JWMXIIRJSKXPSF-AABGKKOBSA-N 0 3 377.481 3.055 40 0 GGABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H](C)C4)C3)CC2)c1 ZINC000585103046 570931559 /nfs/dbraw/zinc/93/15/59/570931559.db2.gz BQXLQJOMVTYREW-RBUKOAKNSA-N 0 3 386.536 3.444 40 0 GGABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H](C)C4)C3)CC2)c1 ZINC000585103046 570931561 /nfs/dbraw/zinc/93/15/61/570931561.db2.gz BQXLQJOMVTYREW-RBUKOAKNSA-N 0 3 386.536 3.444 40 0 GGABHN Cc1ccc(C)c(CN2CCOC[C@@]3(CC(=O)N(Cc4cncs4)C3)C2)c1 ZINC000585104559 570933644 /nfs/dbraw/zinc/93/36/44/570933644.db2.gz QETYGXPWCLLTKD-NRFANRHFSA-N 0 3 385.533 3.011 40 0 GGABHN Cc1cccc(CS(=O)(=O)N2CC[C@H]3[C@@H](CN3CC3CCCCC3)C2)c1 ZINC000585107884 570939560 /nfs/dbraw/zinc/93/95/60/570939560.db2.gz APCZMRILRNABBR-SFTDATJTSA-N 0 3 376.566 3.411 40 0 GGABHN Cc1cccc(CS(=O)(=O)N2CC[C@@H]3[C@H](CN3CC3CCCCC3)C2)c1 ZINC000585107882 570939690 /nfs/dbraw/zinc/93/96/90/570939690.db2.gz APCZMRILRNABBR-NHCUHLMSSA-N 0 3 376.566 3.411 40 0 GGABHN Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CN2C[C@H](C)c2ccccc2)C1 ZINC000585108008 570939869 /nfs/dbraw/zinc/93/98/69/570939869.db2.gz UOUVFJZECRNRSD-SESVDKBCSA-N 0 3 384.545 3.494 40 0 GGABHN CC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CCN(C2CCCC2)CC1 ZINC000020139752 570942048 /nfs/dbraw/zinc/94/20/48/570942048.db2.gz ZICBVKSKPAVMFM-IBGZPJMESA-N 0 3 386.519 3.217 40 0 GGABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C1=O ZINC000004313065 570972126 /nfs/dbraw/zinc/97/21/26/570972126.db2.gz OKIOGBUHXQLPFA-NJYVYQBISA-N 0 3 385.423 3.441 40 0 GGABHN FC(F)(F)c1ccc(N2CCN(C3CCN(Cc4ccoc4)CC3)CC2)nc1 ZINC000252497508 570975659 /nfs/dbraw/zinc/97/56/59/570975659.db2.gz QJQZLOARBOPJNZ-UHFFFAOYSA-N 0 3 394.441 3.480 40 0 GGABHN Cc1ccc(OCCCN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C ZINC000025924927 570999788 /nfs/dbraw/zinc/99/97/88/570999788.db2.gz ZYZLMESTDZGZDF-KRWDZBQOSA-N 0 3 376.522 3.413 40 0 GGABHN O=c1ccc(-c2ccccc2F)c2n1C[C@H]1C[C@@H]2CN(Cc2ccc(CO)o2)C1 ZINC000020503420 575369874 /nfs/dbraw/zinc/36/98/74/575369874.db2.gz MMYYTWCZLKJQKL-JKSUJKDBSA-N 0 3 394.446 3.359 40 0 biogenic,in-vitro GGABHN C[C@H](CC[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1)c1ccccc1 ZINC000012365925 1399039948 /nfs/dbraw/zinc/03/99/48/1399039948.db2.gz IRUCFYGRANCSFQ-IEBWSBKVSA-N 0 3 382.508 3.002 40 0 GGABHN C[C@H](CC[N@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1)c1ccccc1 ZINC000012365925 1399039951 /nfs/dbraw/zinc/03/99/51/1399039951.db2.gz IRUCFYGRANCSFQ-IEBWSBKVSA-N 0 3 382.508 3.002 40 0 GGABHN CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2cccs2)nn1C ZINC000012601939 1399050388 /nfs/dbraw/zinc/05/03/88/1399050388.db2.gz PZJNRVCGOFNDGD-XHSDSOJGSA-N 0 3 387.553 3.034 40 0 biogenic,in-vitro GGABHN CNCc1cc(NC)nc([C@H]2CCCN2C(=O)CCCc2ccc(F)c(C)c2)n1 ZINC000019760602 1399338090 /nfs/dbraw/zinc/33/80/90/1399338090.db2.gz QABRJOGUTGCUCI-LJQANCHMSA-N 0 3 399.514 3.372 40 0 GGABHN Cc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCC3)CC2)cc1 ZINC000020139308 1399342876 /nfs/dbraw/zinc/34/28/76/1399342876.db2.gz XIBLWRRYXMYQDA-HXUWFJFHSA-N 0 3 382.556 3.386 40 0 GGABHN Cc1ccc([C@@H]2NC(=O)N[C@@](O)(c3cccs3)C2C(=O)C(F)(F)F)cc1 ZINC000027754316 1400087725 /nfs/dbraw/zinc/08/77/25/1400087725.db2.gz ZFJYCRHEYDNJKC-HEHGZKQESA-N 0 3 384.379 3.003 40 0 GGABHN O=C(c1ccn(COc2cccc(Cl)c2Cl)n1)N1CCN2CCC[C@H]2C1 ZINC000028233906 1400141467 /nfs/dbraw/zinc/14/14/67/1400141467.db2.gz ANBYBTINKBWHSZ-ZDUSSCGKSA-N 0 3 395.290 3.147 40 0 GGABHN O=C(c1ccn(COc2cccc(Cl)c2Cl)n1)N1CCN2CCC[C@@H]2C1 ZINC000028233902 1400141568 /nfs/dbraw/zinc/14/15/68/1400141568.db2.gz ANBYBTINKBWHSZ-CYBMUJFWSA-N 0 3 395.290 3.147 40 0 GGABHN CC(=O)c1ccc(NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000029232634 1400263679 /nfs/dbraw/zinc/26/36/79/1400263679.db2.gz DPGROXUOPITMCI-UHFFFAOYSA-N 0 3 394.519 3.219 40 0 GGABHN C[C@@H]1CN(CCCCNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000079063577 1409954330 /nfs/dbraw/zinc/95/43/30/1409954330.db2.gz KSCVMEHHHAQEBS-ZIAGYGMSSA-N 0 3 394.459 3.281 40 0 GGABHN CCOc1cc([C@H](N)c2n[nH]c(COc3ccc(Cl)cc3)n2)ccc1OC ZINC000095534362 1410315301 /nfs/dbraw/zinc/31/53/01/1410315301.db2.gz MFSQOGFGWQTZRF-SFHVURJKSA-N 0 3 388.855 3.493 40 0 GGABHN CC(C)(CO)NC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000199405016 1433352665 /nfs/dbraw/zinc/35/26/65/1433352665.db2.gz GDNWRRAQFLUNAH-UHFFFAOYSA-N 0 3 396.531 3.365 40 0 GGABHN Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000226852002 1433369145 /nfs/dbraw/zinc/36/91/45/1433369145.db2.gz HHMXXOJPVYANAE-NQIIRXRSSA-N 0 3 392.503 3.367 40 0 GGABHN COc1cccc2c1OC[C@@H](C(=O)Nc1ccc(OCCN3CCCC3)cc1)C2 ZINC000019568345 210266601 /nfs/dbraw/zinc/26/66/01/210266601.db2.gz LGPQTHINCZAXKQ-SFHVURJKSA-N 0 3 396.487 3.360 40 0 GGABHN Cc1c2ccccc2oc1C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019566088 210266212 /nfs/dbraw/zinc/26/62/12/210266212.db2.gz ZEHFPAUAQMDWGD-UHFFFAOYSA-N 0 3 376.460 3.197 40 0 GGABHN COc1ccc(CN2CCC3(CNC(=O)C3)CC2)cc1OCc1ccccc1 ZINC000019561727 210263268 /nfs/dbraw/zinc/26/32/68/210263268.db2.gz JDKQIOAHWSYJDS-UHFFFAOYSA-N 0 3 380.488 3.376 40 0 GGABHN COc1cc2c(cc1CN1C[C@@H](c3cccnc3)[C@]3(C1)CCCC(=O)N3)CCC2 ZINC000019550612 210262146 /nfs/dbraw/zinc/26/21/46/210262146.db2.gz ZJZPXGUPPXYSES-XUZZJYLKSA-N 0 3 391.515 3.217 40 0 GGABHN COc1ccc(CC[C@H]2CCCCN2Cc2cnc(N3CCOCC3)nc2)cc1 ZINC000019554635 210260490 /nfs/dbraw/zinc/26/04/90/210260490.db2.gz KVMIBADQIBNSLH-OAQYLSRUSA-N 0 3 396.535 3.309 40 0 GGABHN CCOc1ccc(CN2CCC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)cc1 ZINC000019533249 210259717 /nfs/dbraw/zinc/25/97/17/210259717.db2.gz CEDZQJQYQDUPBN-IBGZPJMESA-N 0 3 394.519 3.160 40 0 GGABHN CCOC1CCN(Cc2c3ncccc3[nH]c2[C@H]2CCCN(C(C)=O)C2)CC1 ZINC000019530985 210258795 /nfs/dbraw/zinc/25/87/95/210258795.db2.gz DDAOEFPUKCWUCC-KRWDZBQOSA-N 0 3 384.524 3.290 40 0 GGABHN CCOCc1cc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)ccc1OC ZINC000019531175 210258832 /nfs/dbraw/zinc/25/88/32/210258832.db2.gz AWAGDLDHXNOUCF-FQEVSTJZSA-N 0 3 382.508 3.005 40 0 GGABHN CCOCc1cc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)ccc1OC ZINC000019531177 210257770 /nfs/dbraw/zinc/25/77/70/210257770.db2.gz AWAGDLDHXNOUCF-HXUWFJFHSA-N 0 3 382.508 3.005 40 0 GGABHN CCCc1cc(C(=O)N2CCC[C@@H]3[C@H]2[C@@H](c2ccc(OC)cc2)CN3C)no1 ZINC000019525347 210256747 /nfs/dbraw/zinc/25/67/47/210256747.db2.gz CGZUOLXDJOHKBK-HMXCVIKNSA-N 0 3 383.492 3.338 40 0 GGABHN CCN1CCC(n2nccc2NC(=O)CN2CCC(c3ccccc3)CC2)CC1 ZINC000019527053 210256252 /nfs/dbraw/zinc/25/62/52/210256252.db2.gz SSENMMDVSUJHBD-UHFFFAOYSA-N 0 3 395.551 3.358 40 0 GGABHN CCc1c(C)nc([C@H]2CCCN(Cc3cc(COC)ccc3OC)C2)[nH]c1=O ZINC000019521541 210255081 /nfs/dbraw/zinc/25/50/81/210255081.db2.gz VDQXOPWFZSPBTF-KRWDZBQOSA-N 0 3 385.508 3.175 40 0 GGABHN CCc1c(C)nc([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4=O)cc3)C2)[n-]c1=O ZINC000019521551 210254741 /nfs/dbraw/zinc/25/47/41/210254741.db2.gz GMJPHOBLISGYQI-SFHVURJKSA-N 0 3 394.519 3.147 40 0 GGABHN CCc1c(C)nc([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4=O)cc3)C2)[n-]c1=O ZINC000019521551 210254746 /nfs/dbraw/zinc/25/47/46/210254746.db2.gz GMJPHOBLISGYQI-SFHVURJKSA-N 0 3 394.519 3.147 40 0 GGABHN CCc1c(C)nc([C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4=O)cc3)C2)[n-]c1=O ZINC000019521550 210254381 /nfs/dbraw/zinc/25/43/81/210254381.db2.gz GMJPHOBLISGYQI-GOSISDBHSA-N 0 3 394.519 3.147 40 0 GGABHN CCc1c(C)nc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4=O)cc3)C2)[n-]c1=O ZINC000019521550 210254386 /nfs/dbraw/zinc/25/43/86/210254386.db2.gz GMJPHOBLISGYQI-GOSISDBHSA-N 0 3 394.519 3.147 40 0 GGABHN C[C@H]1C[C@H](C)CN(CCNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)C1 ZINC000019462575 210253701 /nfs/dbraw/zinc/25/37/01/210253701.db2.gz BDYPUITYUCIVNT-IRXDYDNUSA-N 0 3 396.535 3.232 40 0 GGABHN Cn1nc(C2CCN(Cc3ccc4c(c3)CC(C)(C)O4)CC2)c2nccnc21 ZINC000019461735 210252992 /nfs/dbraw/zinc/25/29/92/210252992.db2.gz HGVXVBXGDDHIHV-UHFFFAOYSA-N 0 3 377.492 3.456 40 0 GGABHN CC1(C)Cc2cc(CN3CC[C@H](c4nnc(-c5cnccn5)o4)C3)ccc2O1 ZINC000019461733 210253084 /nfs/dbraw/zinc/25/30/84/210253084.db2.gz ZQJFGDQLHIHKAK-HNNXBMFYSA-N 0 3 377.448 3.230 40 0 GGABHN C[C@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000019497339 210252742 /nfs/dbraw/zinc/25/27/42/210252742.db2.gz AMYNROMYPWFMNB-IRXDYDNUSA-N 0 3 382.508 3.039 40 0 GGABHN CC(=O)N1CCC(c2ncc3c(n2)CCN(C[C@H](C)c2ccccc2)C3)CC1 ZINC000019456397 210251516 /nfs/dbraw/zinc/25/15/16/210251516.db2.gz QECOHRCNTQVKDB-KRWDZBQOSA-N 0 3 378.520 3.364 40 0 GGABHN CC(C)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c2=O)C1 ZINC000019448367 210249260 /nfs/dbraw/zinc/24/92/60/210249260.db2.gz GCSCNXBZUGROOY-LJQANCHMSA-N 0 3 398.482 3.455 40 0 GGABHN O=C(C1CCC1)N1CCC(c2[nH]c3nccnc3c2CN2CCCCC2)CC1 ZINC000019404244 210248685 /nfs/dbraw/zinc/24/86/85/210248685.db2.gz DKBFOEISGCANJA-UHFFFAOYSA-N 0 3 381.524 3.450 40 0 GGABHN CC(C)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccc3F)[nH]c2=O)C1 ZINC000019448371 210248819 /nfs/dbraw/zinc/24/88/19/210248819.db2.gz IQWPWOUYXYDDNX-LJQANCHMSA-N 0 3 398.482 3.455 40 0 GGABHN O[C@@]1(c2ccccn2)CC[C@H]2CN(Cc3cccc(Oc4ncccn4)c3)C[C@H]21 ZINC000019402294 210248210 /nfs/dbraw/zinc/24/82/10/210248210.db2.gz UEIHGHZZTHZOCU-NOXFTYBFSA-N 0 3 388.471 3.394 40 0 GGABHN CC(C)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccc3F)[nH]c2=O)C1 ZINC000019448369 210247760 /nfs/dbraw/zinc/24/77/60/210247760.db2.gz IQWPWOUYXYDDNX-IBGZPJMESA-N 0 3 398.482 3.455 40 0 GGABHN CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccccc3)[n-]c2=O)C1 ZINC000019448351 210247484 /nfs/dbraw/zinc/24/74/84/210247484.db2.gz SUXAQBFTXASRER-HXUWFJFHSA-N 0 3 394.519 3.245 40 0 GGABHN CC(C)[N@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccccc3)[n-]c2=O)C1 ZINC000019448351 210247490 /nfs/dbraw/zinc/24/74/90/210247490.db2.gz SUXAQBFTXASRER-HXUWFJFHSA-N 0 3 394.519 3.245 40 0 GGABHN O=c1ccc(-c2cccs2)nn1CC1(O)CCN(CCc2ccccc2)CC1 ZINC000019371223 210245522 /nfs/dbraw/zinc/24/55/22/210245522.db2.gz MXYUPGSRWNZVAJ-UHFFFAOYSA-N 0 3 395.528 3.041 40 0 GGABHN O=C(N[C@@H]1CCCOC1)c1cc(C2CCN(CCCc3ccccc3)CC2)no1 ZINC000019371070 210245596 /nfs/dbraw/zinc/24/55/96/210245596.db2.gz PQRBLIFBXQHBST-HXUWFJFHSA-N 0 3 397.519 3.396 40 0 GGABHN c1cncc(CN(CCCN2CCOCC2)Cc2cccc3cccnc32)c1 ZINC000019347285 210244376 /nfs/dbraw/zinc/24/43/76/210244376.db2.gz HETAZYBJDJDIHD-UHFFFAOYSA-N 0 3 376.504 3.354 40 0 GGABHN O=c1ccc(-c2ccc(F)cc2)nn1CC1(O)CCN(Cc2cccs2)CC1 ZINC000019343401 210242448 /nfs/dbraw/zinc/24/24/48/210242448.db2.gz VMOYEWPAKNFENZ-UHFFFAOYSA-N 0 3 399.491 3.138 40 0 GGABHN O=C(NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1)c1ccc(=O)[nH]n1 ZINC000019293636 210240050 /nfs/dbraw/zinc/24/00/50/210240050.db2.gz MCOYOQDVQJDOKE-UHFFFAOYSA-N 0 3 398.482 3.028 40 0 GGABHN COc1cc2c(cc1CN1C[C@H]3CCC[C@@H](C1)C3(O)c1nccn1C)CCC2 ZINC000019291368 210237958 /nfs/dbraw/zinc/23/79/58/210237958.db2.gz RWEGRPYBZZHFNH-DETIRCLXSA-N 0 3 381.520 3.037 40 0 GGABHN Cn1nccc1C(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000019289198 210238013 /nfs/dbraw/zinc/23/80/13/210238013.db2.gz KHNDVGMAZWNCLH-UHFFFAOYSA-N 0 3 386.927 3.390 40 0 GGABHN COc1cccc2ccc(CN3C[C@H]4CCC[C@@H](C3)C4(O)c3nccn3C)nc21 ZINC000019291394 210237333 /nfs/dbraw/zinc/23/73/33/210237333.db2.gz JRJSKTDKSCRSHS-NHJWOMDBSA-N 0 3 392.503 3.097 40 0 GGABHN Cn1ccnc1[C@@H](O)c1ccccc1N1CCN(CCCc2ccccc2)CC1 ZINC000019291329 210237040 /nfs/dbraw/zinc/23/70/40/210237040.db2.gz AFICGIQOTKKMEJ-QHCPKHFHSA-N 0 3 390.531 3.257 40 0 GGABHN Cc1cccc(OC(C)(C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c1C ZINC000019235672 210234037 /nfs/dbraw/zinc/23/40/37/210234037.db2.gz YRXNZHPAXNSZAA-IBGZPJMESA-N 0 3 394.519 3.260 40 0 GGABHN COc1c(C)cccc1CN1CCC(c2ncc3c(n2)CCN(C(C)=O)C3)CC1 ZINC000019235937 210233243 /nfs/dbraw/zinc/23/32/43/210233243.db2.gz NMPMZVUQUCEJGC-UHFFFAOYSA-N 0 3 394.519 3.078 40 0 GGABHN Cc1cccc2[nH]c(C(=O)N3CCc4nc(C5CCN(C)CC5)ncc4C3)cc21 ZINC000019236675 210233055 /nfs/dbraw/zinc/23/30/55/210233055.db2.gz ULFGOVOUBVXAJJ-UHFFFAOYSA-N 0 3 389.503 3.274 40 0 GGABHN Cc1cccc2[nH]c(C(=O)N3CCC[C@H](c4ncc5c(n4)CCN(C)C5)C3)cc21 ZINC000019236669 210232855 /nfs/dbraw/zinc/23/28/55/210232855.db2.gz FOTGTMJAHSQHFL-INIZCTEOSA-N 0 3 389.503 3.274 40 0 GGABHN Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019220062 210230984 /nfs/dbraw/zinc/23/09/84/210230984.db2.gz QJORSCOZPVQCHA-NRFANRHFSA-N 0 3 389.503 3.127 40 0 GGABHN Cc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C5CCOCC5)cc4n3)C2)o1 ZINC000019216618 210231025 /nfs/dbraw/zinc/23/10/25/210231025.db2.gz FGVAPFUMGZOTRM-KRWDZBQOSA-N 0 3 395.507 3.487 40 0 GGABHN Cc1cc2c(cc1Br)[C@H](O)[C@](CN1CCCC1)(N1CCCC1)CO2 ZINC000019203029 210228731 /nfs/dbraw/zinc/22/87/31/210228731.db2.gz XKOJYNYWQJNWBN-RBUKOAKNSA-N 0 3 395.341 3.114 40 0 GGABHN COc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1 ZINC000019129204 210228045 /nfs/dbraw/zinc/22/80/45/210228045.db2.gz OMSCNFOEFXNQSU-MRXNPFEDSA-N 0 3 381.480 3.017 40 0 GGABHN Cc1ccc([C@@H](C)C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1 ZINC000019135845 210227055 /nfs/dbraw/zinc/22/70/55/210227055.db2.gz FIBBJIWLWLOSQR-QGZVFWFLSA-N 0 3 378.520 3.283 40 0 GGABHN CN1CCc2nc([C@H]3CCCN(C(=O)C(C)(C)c4ccc(F)cc4)C3)ncc2C1 ZINC000019085040 210225499 /nfs/dbraw/zinc/22/54/99/210225499.db2.gz ZQLHDULFLLYKLS-INIZCTEOSA-N 0 3 396.510 3.287 40 0 GGABHN CC(=O)NCCn1nc([C@@H]2CCN(Cc3ccccc3Cl)C2)c2cccnc21 ZINC000019021837 210224335 /nfs/dbraw/zinc/22/43/35/210224335.db2.gz HOUZKALNTDCHAP-QGZVFWFLSA-N 0 3 397.910 3.210 40 0 GGABHN CC(=O)N1CCC(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)CC1 ZINC000019016757 210221470 /nfs/dbraw/zinc/22/14/70/210221470.db2.gz NDUKXHRLWFHOCP-DNVJHFABSA-N 0 3 397.563 3.114 40 0 GGABHN Cc1nn(C)c2nc(-c3ccc(C)cc3)cc(C(=O)N3CCN4CCC[C@H]4C3)c12 ZINC000036613353 210154254 /nfs/dbraw/zinc/15/42/54/210154254.db2.gz NBGXYZMCKTYZLH-SFHVURJKSA-N 0 3 389.503 3.172 40 0 GGABHN O=S(=O)([N-]CCC[NH+]1CCCCCC1)c1ccc(Br)s1 ZINC000013672026 210078599 /nfs/dbraw/zinc/07/85/99/210078599.db2.gz RDPWRRKRXQYENC-UHFFFAOYSA-N 0 3 381.361 3.055 40 0 GGABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C1=O ZINC000013115707 210052366 /nfs/dbraw/zinc/05/23/66/210052366.db2.gz GXCOQECPHALNOB-HKBOAZHASA-N 0 3 385.423 3.441 40 0 GGABHN CC(=O)Oc1ccc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 ZINC000013227839 210054809 /nfs/dbraw/zinc/05/48/09/210054809.db2.gz LYEZEPXLCVHAPX-UHFFFAOYSA-N 0 3 393.447 3.140 40 0 GGABHN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330227 209942798 /nfs/dbraw/zinc/94/27/98/209942798.db2.gz IVFYCIAOZHISOL-FGZHOGPDSA-N 0 3 395.499 3.265 40 0 GGABHN COc1ccc(CN2CCC(CNC(=O)c3cccc(OC)c3OC)CC2)cc1 ZINC000012115067 209910289 /nfs/dbraw/zinc/91/02/89/209910289.db2.gz GVRSITPTYHSHPL-UHFFFAOYSA-N 0 3 398.503 3.354 40 0 GGABHN COc1ccc(CCNCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000005000527 209557444 /nfs/dbraw/zinc/55/74/44/209557444.db2.gz NKNIPDDKSHZJOR-UHFFFAOYSA-N 0 3 398.381 3.373 40 0 GGABHN COc1cc(C(=O)O[C@@H]2c3ccccc3CC[C@@H]2N(C)C)cc(OC)c1OC ZINC000001568913 209332590 /nfs/dbraw/zinc/33/25/90/209332590.db2.gz IARDCPCJCDYEEM-FXAWDEMLSA-N 0 3 385.460 3.487 40 0 GGABHN CCN1CCN(c2ccc(Nc3ccnc4ccc5c(nnn5C)c43)cc2)CC1 ZINC000001648558 209335730 /nfs/dbraw/zinc/33/57/30/209335730.db2.gz KIDXJVFUKLXNAB-UHFFFAOYSA-N 0 3 387.491 3.402 40 0 GGABHN O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccccc1 ZINC000001668941 209334847 /nfs/dbraw/zinc/33/48/47/209334847.db2.gz LAYJMFIIXJDEDW-UHFFFAOYSA-N 0 3 377.488 3.078 40 0 GGABHN Cc1cc2oc(=O)cc(CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c2cc1C ZINC000036632744 209245427 /nfs/dbraw/zinc/24/54/27/209245427.db2.gz HIMWYTDPPNFTCN-FUHWJXTLSA-N 0 3 376.456 3.191 40 0 GGABHN CCN(CC)CCn1c2ccccc2n(CC(=O)c2ccc(OC)cc2)c1=N ZINC000032600303 209191835 /nfs/dbraw/zinc/19/18/35/209191835.db2.gz NKBJJTOKVOASSW-UHFFFAOYSA-N 0 3 380.492 3.156 40 0 GGABHN CCN1CCN(c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2N)CC1 ZINC000226263807 209188379 /nfs/dbraw/zinc/18/83/79/209188379.db2.gz DQFCENYJIXBKOK-UHFFFAOYSA-N 0 3 382.508 3.450 40 0 GGABHN Cc1ccc(NC(=O)c2ccc3ccc(N4CCN(CC5CC5)CC4)n3c2)cn1 ZINC000063527499 212070243 /nfs/dbraw/zinc/07/02/43/212070243.db2.gz WANUYGPZAOWMCZ-UHFFFAOYSA-N 0 3 389.503 3.427 40 0 GGABHN O=C1NC2(CCN(CCc3ccccc3)CC2)c2nc(N3CCCCC3)sc21 ZINC000306143376 212055680 /nfs/dbraw/zinc/05/56/80/212055680.db2.gz YARKKIUJLZPBLX-UHFFFAOYSA-N 0 3 396.560 3.411 40 0 GGABHN COc1ccc(CN2CC[C@]3(C2)COCC[C@@H]3NC(=O)Cc2ccccc2)cc1 ZINC000306144701 212055344 /nfs/dbraw/zinc/05/53/44/212055344.db2.gz ZMNLKWUIJXDTHN-UPVQGACJSA-N 0 3 394.515 3.035 40 0 GGABHN CC(C)n1cnc([C@H]2CN(Cc3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306144367 212055165 /nfs/dbraw/zinc/05/51/65/212055165.db2.gz ZDLYHZOKBWCRLB-KNQAVFIVSA-N 0 3 382.508 3.285 40 0 GGABHN Cc1cccc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306139557 212053274 /nfs/dbraw/zinc/05/32/74/212053274.db2.gz TUBKGIRNGRTHPR-HXUWFJFHSA-N 0 3 391.519 3.254 40 0 GGABHN Cn1cc(-c2cnc3ncn(C4CCN(Cc5ccsc5)CC4)c3n2)cn1 ZINC000306139750 212052625 /nfs/dbraw/zinc/05/26/25/212052625.db2.gz TZIHXQJGEXHYJQ-UHFFFAOYSA-N 0 3 379.493 3.125 40 0 GGABHN Cn1cc(-c2cnc3ncn(C4CCN(Cc5ccc(F)cc5)CC4)c3n2)cn1 ZINC000306133747 212051155 /nfs/dbraw/zinc/05/11/55/212051155.db2.gz MUIJNMPPFMKXSI-UHFFFAOYSA-N 0 3 391.454 3.203 40 0 GGABHN Cc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(CC4CC4)nc23)s1 ZINC000306136053 212051108 /nfs/dbraw/zinc/05/11/08/212051108.db2.gz PHNMGCNTKFFTTK-UHFFFAOYSA-N 0 3 384.549 3.282 40 0 GGABHN Cc1ccsc1CN1CCN(C2=NO[C@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000306130939 212049078 /nfs/dbraw/zinc/04/90/78/212049078.db2.gz JSXAJCKQUBLNDB-UXHICEINSA-N 0 3 396.560 3.018 40 0 GGABHN Cc1ccsc1CN1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306132850 212048846 /nfs/dbraw/zinc/04/88/46/212048846.db2.gz LUILVMPGBNDCTL-KRWDZBQOSA-N 0 3 397.548 3.315 40 0 GGABHN Cn1cc(-c2cnc3ncn(C4CCN(Cc5cccc(F)c5)CC4)c3n2)cn1 ZINC000306133461 212048564 /nfs/dbraw/zinc/04/85/64/212048564.db2.gz MMDSVUDUZMEPFH-UHFFFAOYSA-N 0 3 391.454 3.203 40 0 GGABHN c1csc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306125891 212043939 /nfs/dbraw/zinc/04/39/39/212043939.db2.gz DEUJVYWCXGFAOH-INIZCTEOSA-N 0 3 383.521 3.007 40 0 GGABHN Clc1ncc(CN2CCO[C@]3(CCCC[C@@H]3NCc3cccnc3)C2)s1 ZINC000306126346 212045818 /nfs/dbraw/zinc/04/58/18/212045818.db2.gz DTCZRHUYOATCAQ-PKOBYXMFSA-N 0 3 392.956 3.495 40 0 GGABHN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccccc2N2CCCCC2)C1 ZINC000257342015 212028318 /nfs/dbraw/zinc/02/83/18/212028318.db2.gz ZMSJMFWSDZZXEH-LJQANCHMSA-N 0 3 395.551 3.481 40 0 GGABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCC[C@@H](Cc3cc[nH]n3)C2)CC1 ZINC000257302883 212020246 /nfs/dbraw/zinc/02/02/46/212020246.db2.gz SEVDNDFBKGFHNM-FQEVSTJZSA-N 0 3 380.536 3.146 40 0 GGABHN C[C@H](N)C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257289743 212017422 /nfs/dbraw/zinc/01/74/22/212017422.db2.gz PZZXPBZIBCTLJQ-RHNNDYAWSA-N 0 3 378.900 3.153 40 0 GGABHN CN1CCC(NC(=O)C2(Cc3ccc(-c4ccncc4)cc3)CCOCC2)CC1 ZINC000257282888 212016526 /nfs/dbraw/zinc/01/65/26/212016526.db2.gz OVSCEKJFLHLIOB-UHFFFAOYSA-N 0 3 393.531 3.298 40 0 GGABHN Cc1cccc(CN2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)c1 ZINC000257280692 212016092 /nfs/dbraw/zinc/01/60/92/212016092.db2.gz OLYUGCGIDZIQIM-HXUWFJFHSA-N 0 3 380.536 3.458 40 0 GGABHN Cc1cnn(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C)[C@@H]3Cc2ccccc2)c1 ZINC000257270320 212014293 /nfs/dbraw/zinc/01/42/93/212014293.db2.gz MTSCBAQUOGBBFB-CFKFVRPNSA-N 0 3 392.547 3.277 40 0 GGABHN CNC(=O)c1sc2nc(C3(C)CCN(Cc4ccccn4)CC3)ccc2c1N ZINC000257264389 212013041 /nfs/dbraw/zinc/01/30/41/212013041.db2.gz LUCXMRALBMBYIU-UHFFFAOYSA-N 0 3 395.532 3.187 40 0 GGABHN C[N@@H+]1CCCC[C@@H]2N(C(=O)c3cc(=O)[n-]c(-c4ccccc4)n3)CCC[C@@]21C ZINC000257234164 212009467 /nfs/dbraw/zinc/00/94/67/212009467.db2.gz GSLDJXVATPZICA-AVRDEDQJSA-N 0 3 380.492 3.328 40 0 GGABHN C[N@H+]1CCCC[C@@H]2N(C(=O)c3cc(=O)[n-]c(-c4ccccc4)n3)CCC[C@@]21C ZINC000257234164 212009469 /nfs/dbraw/zinc/00/94/69/212009469.db2.gz GSLDJXVATPZICA-AVRDEDQJSA-N 0 3 380.492 3.328 40 0 GGABHN CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)c3cc(C4CC4)[nH]n3)CC2)nn1C ZINC000257235823 212008819 /nfs/dbraw/zinc/00/88/19/212008819.db2.gz GZQYTOGQCLSPPQ-JCNLHEQBSA-N 0 3 398.555 3.128 40 0 GGABHN CCN1C(=O)CC[C@@H](C(=O)N(C)CC2CCN(C)CC2)[C@@H]1c1ccccc1C ZINC000257239086 212008113 /nfs/dbraw/zinc/00/81/13/212008113.db2.gz HNXFORMDGFTRNU-IRLDBZIGSA-N 0 3 385.552 3.095 40 0 GGABHN CN(C)C(=O)c1sc2nc([C@@H]3CCCCN3C3CCOCC3)ccc2c1N ZINC000257218960 212006104 /nfs/dbraw/zinc/00/61/04/212006104.db2.gz DFAHMVRPYMHWOT-INIZCTEOSA-N 0 3 388.537 3.286 40 0 GGABHN CN1CCC(NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)CC1 ZINC000257222987 212006120 /nfs/dbraw/zinc/00/61/20/212006120.db2.gz DVJXKKSBSZLROL-UHFFFAOYSA-N 0 3 393.531 3.298 40 0 GGABHN CN1CCC(NC(=O)C2(Cc3cccc(-c4cccnc4)c3)CCOCC2)CC1 ZINC000257223333 212006054 /nfs/dbraw/zinc/00/60/54/212006054.db2.gz DWXAKNNUKKCEAR-UHFFFAOYSA-N 0 3 393.531 3.298 40 0 GGABHN O=C(CC1CCCC1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257219786 212004765 /nfs/dbraw/zinc/00/47/65/212004765.db2.gz DICOKYCUSWGMCR-SCPDWHHUSA-N 0 3 386.536 3.118 40 0 GGABHN CN(C)C(=O)c1sc2nc([C@H]3CCCCN3C3CCOCC3)ccc2c1N ZINC000257218961 212004596 /nfs/dbraw/zinc/00/45/96/212004596.db2.gz DFAHMVRPYMHWOT-MRXNPFEDSA-N 0 3 388.537 3.286 40 0 GGABHN CN(c1ccccc1)[C@H]1COC2(C1)CCN(C(=O)CN1CCCCCC1)CC2 ZINC000257212494 212003515 /nfs/dbraw/zinc/00/35/15/212003515.db2.gz CDRPXIQJLJIHNP-OAQYLSRUSA-N 0 3 385.552 3.149 40 0 GGABHN Cc1nc([C@H]2CCN(CC3CC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000257201939 212001398 /nfs/dbraw/zinc/00/13/98/212001398.db2.gz AJSBCVNBFGKEGQ-IBGZPJMESA-N 0 3 376.504 3.464 40 0 GGABHN Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000225599399 211908923 /nfs/dbraw/zinc/90/89/23/211908923.db2.gz XGWLHLVVNRVIRP-UHFFFAOYSA-N 0 3 378.469 3.408 40 0 GGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 ZINC000223289526 211827151 /nfs/dbraw/zinc/82/71/51/211827151.db2.gz BOEDWMONGDOUQC-LEWJYISDSA-N 0 3 391.544 3.406 40 0 GGABHN O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222599355 211805161 /nfs/dbraw/zinc/80/51/61/211805161.db2.gz SNWSUVLVSPKRDD-SFHVURJKSA-N 0 3 394.450 3.404 40 0 GGABHN Cc1ccnn1CCC(=O)NC[C@H]1CC[C@H]([C@H](c2ccccn2)N(C)C)CC1 ZINC000100750231 211390629 /nfs/dbraw/zinc/39/06/29/211390629.db2.gz XDAWSJICQZEPLV-XQBPLPMBSA-N 0 3 383.540 3.202 40 0 GGABHN CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(Cc1ccc(F)cc1)CC2 ZINC000096260335 211327154 /nfs/dbraw/zinc/32/71/54/211327154.db2.gz BMGHXSNHPPALBC-UHFFFAOYSA-N 0 3 384.499 3.026 40 0 GGABHN COc1ccc(CN2CCc3cc(C(=O)N(C)C)c(NC(C)C)nc3CC2)cc1 ZINC000096260433 211327050 /nfs/dbraw/zinc/32/70/50/211327050.db2.gz IODHECRSZRIZKO-UHFFFAOYSA-N 0 3 396.535 3.213 40 0 GGABHN COc1cccc(CN2CCc3cc(C(=O)N(C)C)c(NC(C)C)nc3CC2)c1 ZINC000096260442 211326511 /nfs/dbraw/zinc/32/65/11/211326511.db2.gz RBBNGRIYRJLRII-UHFFFAOYSA-N 0 3 396.535 3.213 40 0 GGABHN Fc1ccc(-c2cnc3n2CCNC32CCN(Cc3cccnc3)CC2)cc1 ZINC000096263397 211326316 /nfs/dbraw/zinc/32/63/16/211326316.db2.gz JNLVFERAWZRSNM-UHFFFAOYSA-N 0 3 377.467 3.179 40 0 GGABHN Cc1noc(C)c1CN1CCc2cc(C(=O)N(C)C)c(NCC(C)C)nc2CC1 ZINC000096260503 211325955 /nfs/dbraw/zinc/32/59/55/211325955.db2.gz KUSWDLIFSMMASO-UHFFFAOYSA-N 0 3 399.539 3.057 40 0 GGABHN Cc1ccc(CNC(=O)c2ccc3ccc(N4CCN(CC5CC5)CC4)n3c2)o1 ZINC000096155929 211314580 /nfs/dbraw/zinc/31/45/80/211314580.db2.gz XBWNDTZMFOMWLX-UHFFFAOYSA-N 0 3 392.503 3.303 40 0 GGABHN CN(C)CCNC(=O)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn32)n1 ZINC000096155392 211314428 /nfs/dbraw/zinc/31/44/28/211314428.db2.gz MECBLBIJIOKSKJ-UHFFFAOYSA-N 0 3 391.450 3.223 40 0 GGABHN CN(C)CCNC(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn32)n1 ZINC000096155415 211312985 /nfs/dbraw/zinc/31/29/85/211312985.db2.gz HVEMXLSHBWSJBR-UHFFFAOYSA-N 0 3 391.450 3.223 40 0 GGABHN COc1cccc(CN2CCc3nc(C(=O)N4CCCCC4)sc3CC2)c1 ZINC000096147008 211310271 /nfs/dbraw/zinc/31/02/71/211310271.db2.gz OAUJWFPBXZMYDN-UHFFFAOYSA-N 0 3 385.533 3.379 40 0 GGABHN CC(C)n1c2cc(C(=O)NCCN(C)C)n(-c3ncccn3)c2c2ccccc21 ZINC000096146441 211309509 /nfs/dbraw/zinc/30/95/09/211309509.db2.gz OFQRRRLYTVACRB-UHFFFAOYSA-N 0 3 390.491 3.248 40 0 GGABHN COc1ccc(N(C)c2ccc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cn32)cc1 ZINC000096146221 211309337 /nfs/dbraw/zinc/30/93/37/211309337.db2.gz BBROATVHFQZWRX-FQEVSTJZSA-N 0 3 392.503 3.492 40 0 GGABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228738 211321550 /nfs/dbraw/zinc/32/15/50/211321550.db2.gz IATLSJVJFMWCBC-HSZRJFAPSA-N 0 3 381.520 3.440 40 0 GGABHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)NCc4cccnc4)C3)C2)c1 ZINC000096215618 211320120 /nfs/dbraw/zinc/32/01/20/211320120.db2.gz ZSTVMWKZFBSOQY-QHCPKHFHSA-N 0 3 394.519 3.288 40 0 GGABHN Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(CCOc2ccccc2)C3)cn1 ZINC000096216339 211319954 /nfs/dbraw/zinc/31/99/54/211319954.db2.gz QGRJAFFYIXMHQG-HSZRJFAPSA-N 0 3 379.504 3.397 40 0 GGABHN COCCN(C)c1nc(C2CCN(Cc3cccs3)CC2)cc2c1ncn2C ZINC000096099958 211302650 /nfs/dbraw/zinc/30/26/50/211302650.db2.gz RJTOIJMQWCLGEC-UHFFFAOYSA-N 0 3 399.564 3.492 40 0 GGABHN COc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)N(C)C)c2ccccc23)cc1 ZINC000096100374 211302586 /nfs/dbraw/zinc/30/25/86/211302586.db2.gz KAMAXVPUSMQNGK-OAQYLSRUSA-N 0 3 380.488 3.346 40 0 GGABHN COc1ccc(CN2CCC3(CC2)O[C@H](C(=O)N(C)C)c2ccccc23)cc1 ZINC000096100373 211302229 /nfs/dbraw/zinc/30/22/29/211302229.db2.gz KAMAXVPUSMQNGK-NRFANRHFSA-N 0 3 380.488 3.346 40 0 GGABHN CCS(=O)(=O)N1CC2(CCN(Cc3cccs3)CC2)c2ccccc21 ZINC000096078883 211301154 /nfs/dbraw/zinc/30/11/54/211301154.db2.gz DEIIHIOMXBVRCS-UHFFFAOYSA-N 0 3 376.547 3.452 40 0 GGABHN O=C(c1ccc(-c2ccncc2)cc1)N1CCC2(CC1)COCCN2CC1CC1 ZINC000096074627 211298007 /nfs/dbraw/zinc/29/80/07/211298007.db2.gz SYWPQPZPOLPTLW-UHFFFAOYSA-N 0 3 391.515 3.466 40 0 GGABHN CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccsc1)CC2 ZINC000096037014 211296922 /nfs/dbraw/zinc/29/69/22/211296922.db2.gz IWJJWYAXLSRKNX-UHFFFAOYSA-N 0 3 396.564 3.172 40 0 GGABHN COc1ccc(CN2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)cc1 ZINC000096050778 211296776 /nfs/dbraw/zinc/29/67/76/211296776.db2.gz QNCDSVSXVLFAIC-JOCHJYFZSA-N 0 3 380.444 3.053 40 0 GGABHN O=S(=O)(N[C@H]1CCC12CCN(Cc1ccsc1)CC2)c1ccccc1 ZINC000096051619 211296622 /nfs/dbraw/zinc/29/66/22/211296622.db2.gz ZDUVRPHBAUSDGG-SFHVURJKSA-N 0 3 376.547 3.471 40 0 GGABHN CC(C(=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000079038780 211152252 /nfs/dbraw/zinc/15/22/52/211152252.db2.gz YTMRVDKGPUZVLI-ACJLOTCBSA-N 0 3 377.531 3.266 40 0 GGABHN CC(C(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000079038782 211153272 /nfs/dbraw/zinc/15/32/72/211153272.db2.gz YTMRVDKGPUZVLI-SCLBCKFNSA-N 0 3 377.531 3.266 40 0 GGABHN COc1ccccc1OCCc1cc([C@H]2CCN(Cc3cnn(C)c3C)C2)n[nH]1 ZINC000072371457 211103309 /nfs/dbraw/zinc/10/33/09/211103309.db2.gz YDNHVNQCEFRJKX-KRWDZBQOSA-N 0 3 395.507 3.071 40 0 GGABHN CN1CCC(C(=O)N2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)CC1 ZINC000072363240 211103429 /nfs/dbraw/zinc/10/34/29/211103429.db2.gz FPTGIROSXNVQBZ-UHFFFAOYSA-N 0 3 398.482 3.456 40 0 GGABHN COc1ccccc1OCCc1cc([C@H]2CCN(Cc3cnn(C)c3C)C2)[nH]n1 ZINC000072371457 211103304 /nfs/dbraw/zinc/10/33/04/211103304.db2.gz YDNHVNQCEFRJKX-KRWDZBQOSA-N 0 3 395.507 3.071 40 0 GGABHN O=C(NCc1cccnc1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373033 211102637 /nfs/dbraw/zinc/10/26/37/211102637.db2.gz PFERJJZMEVHYDZ-GOTSBHOMSA-N 0 3 399.494 3.329 40 0 GGABHN COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc1OC(C)C ZINC000072373027 211102386 /nfs/dbraw/zinc/10/23/86/211102386.db2.gz GBYPYUZLNWHBEN-DLBZAZTESA-N 0 3 383.492 3.418 40 0 GGABHN COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc1OC(C)C ZINC000072373027 211102390 /nfs/dbraw/zinc/10/23/90/211102390.db2.gz GBYPYUZLNWHBEN-DLBZAZTESA-N 0 3 383.492 3.418 40 0 GGABHN CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(CCCc2ccccc2)C3)C1 ZINC000072390909 211110555 /nfs/dbraw/zinc/11/05/55/211110555.db2.gz MJZACBDWNPJKPT-HXUWFJFHSA-N 0 3 378.520 3.193 40 0 GGABHN COc1ccc(C[C@@H](C)N2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)cc1OC ZINC000072395787 211110633 /nfs/dbraw/zinc/11/06/33/211110633.db2.gz BWJYBAXSNOVREG-MZNJEOGPSA-N 0 3 394.515 3.456 40 0 GGABHN COc1cccc2ccc(CN3C[C@@H]4CC[C@@](O)(c5ccccn5)[C@@H]4C3)nc21 ZINC000072392550 211109983 /nfs/dbraw/zinc/10/99/83/211109983.db2.gz ITQBTRAAZDPUQA-GWJPWWOOSA-N 0 3 375.472 3.368 40 0 GGABHN CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(CCCc2ccccc2)C3)C1 ZINC000072390908 211109797 /nfs/dbraw/zinc/10/97/97/211109797.db2.gz MJZACBDWNPJKPT-FQEVSTJZSA-N 0 3 378.520 3.193 40 0 GGABHN CC(=O)N1CCC(N2CCC[C@H](c3nccnc3Oc3cccnc3C)C2)CC1 ZINC000072384368 211108185 /nfs/dbraw/zinc/10/81/85/211108185.db2.gz MDJVMXGZPKTPQT-SFHVURJKSA-N 0 3 395.507 3.163 40 0 GGABHN COc1ccc(CN2CC[C@@H](c3nc(-c4cccnc4)no3)C2)c(OC)c1OC ZINC000072389896 211107856 /nfs/dbraw/zinc/10/78/56/211107856.db2.gz VBNXRHKRTGXQFH-MRXNPFEDSA-N 0 3 396.447 3.147 40 0 GGABHN COc1ccc(CCCC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1C ZINC000072390813 211107242 /nfs/dbraw/zinc/10/72/42/211107242.db2.gz AMXAOYBPNGKXCY-HXUWFJFHSA-N 0 3 394.519 3.126 40 0 GGABHN COc1ccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCC4)[nH]n3)C2)cc1 ZINC000072380588 211106848 /nfs/dbraw/zinc/10/68/48/211106848.db2.gz YEOSZAOSLSIGQB-KRWDZBQOSA-N 0 3 382.508 3.470 40 0 GGABHN COc1ccc(CCCC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1C ZINC000072390812 211106883 /nfs/dbraw/zinc/10/68/83/211106883.db2.gz AMXAOYBPNGKXCY-FQEVSTJZSA-N 0 3 394.519 3.126 40 0 GGABHN Fc1ccc(OCCN2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377981 211105887 /nfs/dbraw/zinc/10/58/87/211105887.db2.gz NYYQRUCURCNCBT-MRXNPFEDSA-N 0 3 394.454 3.408 40 0 GGABHN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(CC(=O)N3CCCCC3)C2)n1 ZINC000072374836 211105363 /nfs/dbraw/zinc/10/53/63/211105363.db2.gz XZSJIILBRSGIMN-SFHVURJKSA-N 0 3 394.523 3.116 40 0 GGABHN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(Cc4cnn(C)c4)C3)n2)n1 ZINC000072376053 211104918 /nfs/dbraw/zinc/10/49/18/211104918.db2.gz BHBUENFLOBPYMY-GOSISDBHSA-N 0 3 377.496 3.345 40 0 GGABHN CC(=O)N1CCC(N2CCC[C@H](c3nc(N)ncc3-c3cccc(F)c3)C2)CC1 ZINC000072346204 211094832 /nfs/dbraw/zinc/09/48/32/211094832.db2.gz KOVMYZOFSGOIET-KRWDZBQOSA-N 0 3 397.498 3.055 40 0 GGABHN CN1CCC(C(=O)N2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)CC1 ZINC000072359205 211101469 /nfs/dbraw/zinc/10/14/69/211101469.db2.gz ZVONCIOCOOQJJS-SFHVURJKSA-N 0 3 382.483 3.331 40 0 GGABHN Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)c1 ZINC000072359204 211100056 /nfs/dbraw/zinc/10/00/56/211100056.db2.gz XOTFMXSPIDSNBX-FQEVSTJZSA-N 0 3 378.520 3.500 40 0 GGABHN O=C(NCCO)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccccn2)C1 ZINC000072354988 211099445 /nfs/dbraw/zinc/09/94/45/211099445.db2.gz UVSJYEHBTGACGL-OAHLLOKOSA-N 0 3 381.501 3.008 40 0 GGABHN COc1cc2nc3n(c(=O)c2cc1OC)C[C@H]1CC[C@@H](C3)N1Cc1ccccc1 ZINC000072327372 211090516 /nfs/dbraw/zinc/09/05/16/211090516.db2.gz SHCYRICAJOZYKD-DLBZAZTESA-N 0 3 391.471 3.003 40 0 GGABHN O=C(c1cccc(Br)c1)N1CCCSC[C@H]1CN1CCCC1 ZINC000090609009 211036583 /nfs/dbraw/zinc/03/65/83/211036583.db2.gz NIFCXUCGSNDETM-MRXNPFEDSA-N 0 3 383.355 3.493 40 0 GGABHN CCN(C(=O)[C@@H](N)C(C)C)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079393325 210784642 /nfs/dbraw/zinc/78/46/42/210784642.db2.gz POHDTHQSOOFQGB-OTWHNJEPSA-N 0 3 375.513 3.056 40 0 GGABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1C ZINC000030326271 210554405 /nfs/dbraw/zinc/55/44/05/210554405.db2.gz BTSNTKWCJZCJGE-UHFFFAOYSA-N 0 3 388.533 3.468 40 0 GGABHN COc1cc(OC)cc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)c1 ZINC000408612212 533063248 /nfs/dbraw/zinc/06/32/48/533063248.db2.gz UXJABCFLVPVGLM-HXUWFJFHSA-N 0 3 380.488 3.367 40 0 GGABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cccc(OC)c1 ZINC000019819037 210300722 /nfs/dbraw/zinc/30/07/22/210300722.db2.gz BJKMGNTXRCDHPX-SFHVURJKSA-N 0 3 394.427 3.134 40 0 GGABHN O=C(CC1N=C(Nc2nc(-c3ccccc3)cs2)NC1=O)Nc1ccccc1 ZINC000019819621 210300166 /nfs/dbraw/zinc/30/01/66/210300166.db2.gz OHEUFXUTIKKFDQ-HNNXBMFYSA-N 0 3 391.456 3.105 40 0 GGABHN CC(C)NC(=O)c1cc([C@H]2CCN(Cc3ccnn3C)C2)nc2ccccc21 ZINC000019762678 210296576 /nfs/dbraw/zinc/29/65/76/210296576.db2.gz RKILAZRJSQSOTF-INIZCTEOSA-N 0 3 377.492 3.096 40 0 GGABHN CNc1ncccc1CN1CCC(Cc2cc(N3CCCC3)nc(C)n2)CC1 ZINC000019758923 210293500 /nfs/dbraw/zinc/29/35/00/210293500.db2.gz WRXXAFLKYKWRBT-UHFFFAOYSA-N 0 3 380.540 3.277 40 0 GGABHN CCN(CC)C(=O)CN1CCC(Cc2cc(NC3CCCC3)nc(C)n2)CC1 ZINC000019758871 210292631 /nfs/dbraw/zinc/29/26/31/210292631.db2.gz JATMJKKOUIUOFW-UHFFFAOYSA-N 0 3 387.572 3.262 40 0 GGABHN CCn1cc(-c2cc(NC[C@H](c3ccc(F)cc3)N3CCCC3)nc(N)n2)cn1 ZINC000019718044 210289117 /nfs/dbraw/zinc/28/91/17/210289117.db2.gz ASAHZCFEYDPLJQ-LJQANCHMSA-N 0 3 395.486 3.330 40 0 GGABHN CC1CCN(S(=O)(=O)N[C@H](CCN2CCCCC2)c2ccccc2)CC1 ZINC000019715952 210287539 /nfs/dbraw/zinc/28/75/39/210287539.db2.gz CCTQKYPJXIQXNG-HXUWFJFHSA-N 0 3 379.570 3.170 40 0 GGABHN c1cc(CN2CCc3nnc([C@H]4CCCN4)n3CC2)cc(OC2CCCC2)c1 ZINC000019706404 210284699 /nfs/dbraw/zinc/28/46/99/210284699.db2.gz PSHADBSRBWNOJF-HXUWFJFHSA-N 0 3 381.524 3.082 40 0 GGABHN CCn1ccc(NC(=O)c2ccc([C@H]3CCCN(Cc4ccccn4)C3)nc2)n1 ZINC000019706016 210284291 /nfs/dbraw/zinc/28/42/91/210284291.db2.gz VKQSVZCJCCHLFC-SFHVURJKSA-N 0 3 390.491 3.325 40 0 GGABHN CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3C(=O)c3ccccc3)c2)CC1 ZINC000019698129 210282424 /nfs/dbraw/zinc/28/24/24/210282424.db2.gz GJMQOFKQCMWPSY-QFIPXVFZSA-N 0 3 392.503 3.036 40 0 GGABHN CC(=O)N1CCC[C@H]1c1cc(N2CCN(Cc3cnc(C)s3)CC2)cc(C)n1 ZINC000019697975 210282531 /nfs/dbraw/zinc/28/25/31/210282531.db2.gz JDGNKZPXYHCHEI-NRFANRHFSA-N 0 3 399.564 3.161 40 0 GGABHN Cc1ccc(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)cc1N1CCOCC1 ZINC000019664070 210280034 /nfs/dbraw/zinc/28/00/34/210280034.db2.gz RCVRLJXFIUQNRG-JOCHJYFZSA-N 0 3 393.531 3.051 40 0 GGABHN COc1cc(OC)cc(-c2nnc(NC(=O)C[C@@H]3CCCCN3C)s2)c1 ZINC000019659460 210278247 /nfs/dbraw/zinc/27/82/47/210278247.db2.gz KCEYUTHXBGZSGM-ZDUSSCGKSA-N 0 3 376.482 3.035 40 0 GGABHN COCCN1CCN(Cc2c3cccnc3[nH]c2-c2ccc(OC)cc2)CC1 ZINC000019593423 210275824 /nfs/dbraw/zinc/27/58/24/210275824.db2.gz CLKVYXMKEKQIIQ-UHFFFAOYSA-N 0 3 380.492 3.003 40 0 GGABHN CN(C)CCNCc1cc2c(-c3ccccc3)nn(-c3ccccc3)c2[nH]c1=O ZINC000019582929 210270440 /nfs/dbraw/zinc/27/04/40/210270440.db2.gz IBIINELKSRWHDY-UHFFFAOYSA-N 0 3 387.487 3.032 40 0 GGABHN Cc1oc2c(c1C(=O)N1CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C1)CCCC2 ZINC000019581222 210269634 /nfs/dbraw/zinc/26/96/34/210269634.db2.gz QVTBRZIWZQZOAM-MRXNPFEDSA-N 0 3 394.519 3.265 40 0 GGABHN CN1CCc2nc([C@@H]3CCCN(C(=O)c4cc5c(cccc5F)[nH]4)C3)ncc2C1 ZINC000019590434 210273893 /nfs/dbraw/zinc/27/38/93/210273893.db2.gz MHVONNDNBNTZES-CQSZACIVSA-N 0 3 393.466 3.105 40 0 GGABHN CN1CCc2nc([C@H]3CCCN3C(=O)c3ccc(N4CCCC4)cc3)ncc2C1 ZINC000019590553 210273908 /nfs/dbraw/zinc/27/39/08/210273908.db2.gz KLEDFHOTKWCPPS-OAQYLSRUSA-N 0 3 391.519 3.042 40 0 GGABHN COc1cccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1OC ZINC000019590347 210273398 /nfs/dbraw/zinc/27/33/98/210273398.db2.gz LGQBURRUOHSEJJ-IBGZPJMESA-N 0 3 382.508 3.209 40 0 GGABHN CN(C)c1ncc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)cn1 ZINC000019589118 210273434 /nfs/dbraw/zinc/27/34/34/210273434.db2.gz PXEJEFBPQZGPCP-HBMCJLEFSA-N 0 3 393.535 3.025 40 0 GGABHN COCc1ccc(OC)c(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019590319 210273493 /nfs/dbraw/zinc/27/34/93/210273493.db2.gz DBWLLXGQBPQNDK-NRFANRHFSA-N 0 3 396.535 3.347 40 0 GGABHN CN1CCc2nc([C@@H]3CCCN(C(=O)c4cc5ccccc5o4)C3)ncc2C1 ZINC000019590442 210273503 /nfs/dbraw/zinc/27/35/03/210273503.db2.gz BRLZYBJTDHECOF-MRXNPFEDSA-N 0 3 376.460 3.231 40 0 GGABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)c2cc4c(s2)CCCC4)C3)CC1 ZINC000019588318 210273324 /nfs/dbraw/zinc/27/33/24/210273324.db2.gz BPKWTOLUKUGRKG-UHFFFAOYSA-N 0 3 396.560 3.425 40 0 GGABHN COc1ccc2oc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)cc2c1 ZINC000019590547 210273357 /nfs/dbraw/zinc/27/33/57/210273357.db2.gz BALADKLDQQAWHU-SFHVURJKSA-N 0 3 392.459 3.197 40 0 GGABHN COc1cc(CCC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)on1 ZINC000019590181 210273071 /nfs/dbraw/zinc/27/30/71/210273071.db2.gz KWTGPOVPKNYPRY-TXTKFYIRSA-N 0 3 397.519 3.485 40 0 GGABHN CN1CCc2nc([C@@H]3CCCN3C(=O)c3cc4c(s3)CCCC4)ncc2C1 ZINC000019590544 210273098 /nfs/dbraw/zinc/27/30/98/210273098.db2.gz UTHGRUPXIWUARB-KRWDZBQOSA-N 0 3 382.533 3.382 40 0 GGABHN COc1ccc(CCC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019590287 210272697 /nfs/dbraw/zinc/27/26/97/210272697.db2.gz MSYDWRKPKBCXNA-NRFANRHFSA-N 0 3 394.519 3.160 40 0 GGABHN COc1cc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc(OC)c1 ZINC000019590316 210272602 /nfs/dbraw/zinc/27/26/02/210272602.db2.gz ZCKQYRLANNGTEY-OAQYLSRUSA-N 0 3 382.508 3.209 40 0 GGABHN COc1cc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc(OC)c1 ZINC000019590317 210272678 /nfs/dbraw/zinc/27/26/78/210272678.db2.gz ZCKQYRLANNGTEY-NRFANRHFSA-N 0 3 382.508 3.209 40 0 GGABHN CN1CCc2nc([C@H]3CCCN(C(=O)c4cc5c(cccc5F)[nH]4)C3)ncc2C1 ZINC000019590435 210272417 /nfs/dbraw/zinc/27/24/17/210272417.db2.gz MHVONNDNBNTZES-AWEZNQCLSA-N 0 3 393.466 3.105 40 0 GGABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1cn2cccnc2n1 ZINC000019590197 210272160 /nfs/dbraw/zinc/27/21/60/210272160.db2.gz PPKYLAQOBCDYLZ-HMXCVIKNSA-N 0 3 389.503 3.212 40 0 GGABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CN1CCCCCC1=O ZINC000019590185 210271859 /nfs/dbraw/zinc/27/18/59/210271859.db2.gz KSLCAIOOFNXZDW-PQNGQFLHSA-N 0 3 397.563 3.258 40 0 GGABHN COc1ccc(C(=O)N(C)C2CCC3(CC2)CN(C)Cc2ccccc2O3)cn1 ZINC000019590865 210271895 /nfs/dbraw/zinc/27/18/95/210271895.db2.gz WRBMZVOOBONRBS-UHFFFAOYSA-N 0 3 395.503 3.368 40 0 GGABHN CN1CCc2nc(C3CCN(C(=O)c4csc5c4CCCC5)CC3)ncc2C1 ZINC000019590702 210271683 /nfs/dbraw/zinc/27/16/83/210271683.db2.gz ZLQLZAUEIXWOQP-UHFFFAOYSA-N 0 3 396.560 3.425 40 0 GGABHN CCc1cc(N2CCOCC2)nc(C2=CCN(Cc3ccc(C)cc3)CC2)n1 ZINC000012185791 221163759 /nfs/dbraw/zinc/16/37/59/221163759.db2.gz PVMOGVWVTKBUMP-UHFFFAOYSA-N 0 3 378.520 3.473 40 0 GGABHN COc1ccc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)cc1OC ZINC000408610006 533299359 /nfs/dbraw/zinc/29/93/59/533299359.db2.gz QCBHEFVLSLPNJY-FQEVSTJZSA-N 0 3 380.488 3.367 40 0 GGABHN NC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000222821517 136204984 /nfs/dbraw/zinc/20/49/84/136204984.db2.gz BLEKVQUQDCTXEO-UHFFFAOYSA-N 0 3 386.499 3.279 40 0 GGABHN O[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCc1cccnc1 ZINC000096268973 560054298 /nfs/dbraw/zinc/05/42/98/560054298.db2.gz IDVOYRWTCIABCF-JAXLGGSGSA-N 0 3 397.450 3.117 40 0 biogenic,in-vitro GGABHN c1nc2n(c1-c1ccc3c(c1)OCCO3)C[C@H](CNCc1ccccc1)OC2 ZINC000096296431 560060318 /nfs/dbraw/zinc/06/03/18/560060318.db2.gz VYJVATHJFMOXJG-SFHVURJKSA-N 0 3 377.444 3.010 40 0 biogenic,in-vitro GGABHN COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccccc2OC)C3)cc1 ZINC000096296282 560060358 /nfs/dbraw/zinc/06/03/58/560060358.db2.gz IXSRLQPLFWGMTM-IBGZPJMESA-N 0 3 379.460 3.256 40 0 biogenic,in-vitro GGABHN O=C([N-]C(=S)Nc1ccc(C[NH+]2CCCC2)cc1)C(Cl)(Cl)Cl ZINC000006548098 564225077 /nfs/dbraw/zinc/22/50/77/564225077.db2.gz GSZCQYKYCZAVPV-UHFFFAOYSA-N 0 3 380.728 3.466 40 0 GGABHN CC[C@H](CO)NCc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000006870795 564228909 /nfs/dbraw/zinc/22/89/09/564228909.db2.gz LBWGBMPFIBSXBD-OAHLLOKOSA-N 0 3 395.297 3.292 40 0 GGABHN COCCNCc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000007274770 564235433 /nfs/dbraw/zinc/23/54/33/564235433.db2.gz YCHSCNUMMADXEJ-UHFFFAOYSA-N 0 3 381.270 3.168 40 0 GGABHN CCN1CCC(NC(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000054816042 564610150 /nfs/dbraw/zinc/61/01/50/564610150.db2.gz GXZKHHZTZXPXGC-OAHLLOKOSA-N 0 3 382.302 3.056 40 0 GGABHN CC(C)N1CCC(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000077200743 564862741 /nfs/dbraw/zinc/86/27/41/564862741.db2.gz DLNXMUABYPWQEA-UHFFFAOYSA-N 0 3 378.460 3.245 40 0 GGABHN Cc1ccc([C@H](N)c2n[nH]c(-c3ccc(I)cc3)n2)cc1 ZINC000095534132 564899718 /nfs/dbraw/zinc/89/97/18/564899718.db2.gz UVGXJGHTQLCDAD-AWEZNQCLSA-N 0 3 390.228 3.433 40 0 GGABHN Cc1ccc([C@@H](N)c2n[nH]c(-c3ccc(I)cc3)n2)cc1 ZINC000095534133 564899920 /nfs/dbraw/zinc/89/99/20/564899920.db2.gz UVGXJGHTQLCDAD-CQSZACIVSA-N 0 3 390.228 3.433 40 0 GGABHN N[C@@H](c1n[nH]c(-c2ccc(I)cc2)n1)c1ccccc1 ZINC000095533437 564900469 /nfs/dbraw/zinc/90/04/69/564900469.db2.gz XLTLGNHFETWVEO-CYBMUJFWSA-N 0 3 376.201 3.124 40 0 GGABHN CN1CCC(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000113952423 565071763 /nfs/dbraw/zinc/07/17/63/565071763.db2.gz FOJWUFKHPKXGJM-UHFFFAOYSA-N 0 3 384.351 3.416 40 0 GGABHN COC[C@@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218547840 565899334 /nfs/dbraw/zinc/89/93/34/565899334.db2.gz TYUHYATYANXYKY-FHWLQOOXSA-N 0 3 379.909 3.180 40 0 GGABHN CCOC[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218512310 565899375 /nfs/dbraw/zinc/89/93/75/565899375.db2.gz NTWPVCUPGOGXAS-QYZOEREBSA-N 0 3 379.909 3.261 40 0 GGABHN CCOC[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218515345 565899737 /nfs/dbraw/zinc/89/97/37/565899737.db2.gz DVBIBJWYSPYWCO-CEXWTWQISA-N 0 3 379.909 3.261 40 0 GGABHN COC[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218490225 565899883 /nfs/dbraw/zinc/89/98/83/565899883.db2.gz WEWGCEMQFKLOKG-CEXWTWQISA-N 0 3 379.909 3.180 40 0 GGABHN COC[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218636809 565900837 /nfs/dbraw/zinc/90/08/37/565900837.db2.gz KHSLPZBXVIELKS-SQNIBIBYSA-N 0 3 383.872 3.010 40 0 GGABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000242701466 565985432 /nfs/dbraw/zinc/98/54/32/565985432.db2.gz WEWGCEMQFKLOKG-GUDVDZBRSA-N 0 3 379.909 3.180 40 0 GGABHN CCOC[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252515755 566115393 /nfs/dbraw/zinc/11/53/93/566115393.db2.gz NEPGDTFQTZEUGL-IPMKNSEASA-N 0 3 379.909 3.261 40 0 GGABHN CN(C)Cc1ccc(NC(=O)c2cc3c(s2)CCNC3)cc1Br ZINC000662535671 567446149 /nfs/dbraw/zinc/44/61/49/567446149.db2.gz NWIHNTHRINUYBD-UHFFFAOYSA-N 0 3 394.338 3.470 40 0 GGABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)c1 ZINC000005030540 570216272 /nfs/dbraw/zinc/21/62/72/570216272.db2.gz OJHPYDFJLAURAB-HBMCJLEFSA-N 0 3 385.423 3.441 40 0 GGABHN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H]2CCCN2C)cc1 ZINC000048273945 570226160 /nfs/dbraw/zinc/22/61/60/570226160.db2.gz HXXIAWBTZZORNF-IBGZPJMESA-N 0 3 390.487 3.372 40 0 GGABHN C=C1c2ccccc2C(=O)N1CCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000048325468 570236371 /nfs/dbraw/zinc/23/63/71/570236371.db2.gz GYBDQGPKZWEQRY-QFIPXVFZSA-N 0 3 389.499 3.457 40 0 GGABHN CC(=O)N1CCN(C2CCCCCC2)C[C@@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585287822 570259086 /nfs/dbraw/zinc/25/90/86/570259086.db2.gz SOILNEINQPKURE-HSZRJFAPSA-N 0 3 388.552 3.300 40 0 GGABHN Cc1cccnc1Nc1cc([C@H]2CCCN(C(=O)/C=C/CN(C)C)C2)ccn1 ZINC000585292526 570261980 /nfs/dbraw/zinc/26/19/80/570261980.db2.gz OBEBKYBNHZLYGP-AIADIJKESA-N 0 3 379.508 3.352 40 0 GGABHN CN(C)C/C=C/C(=O)N1CCC[C@H](Cc2ccnc(Nc3ccccn3)c2)C1 ZINC000585293094 570262187 /nfs/dbraw/zinc/26/21/87/570262187.db2.gz WRSXVYIYSHWKCV-MBNRZODZSA-N 0 3 379.508 3.119 40 0 GGABHN CN(C)C/C=C/C(=O)N1CCC(c2csc(Nc3ccc(F)cn3)n2)CC1 ZINC000585293307 570262523 /nfs/dbraw/zinc/26/25/23/570262523.db2.gz ZKPIIJFOYKFPHK-ONEGZZNKSA-N 0 3 389.500 3.245 40 0 GGABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102728915 570291702 /nfs/dbraw/zinc/29/17/02/570291702.db2.gz KCOBPCXTEANSGM-UFYCRDLUSA-N 0 3 389.386 3.272 40 0 GGABHN Cc1ccc(CNCCN(Cc2cccc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575420070 570307479 /nfs/dbraw/zinc/30/74/79/570307479.db2.gz FFYLEAGOSDHWFU-QFIPXVFZSA-N 0 3 386.561 3.082 40 0 GGABHN CN(C)C(=O)Sc1ccc(CN2CCC(CN3CCOCC3)CC2)cc1 ZINC000075107985 570318581 /nfs/dbraw/zinc/31/85/81/570318581.db2.gz JAFOLQNHYIDIFB-UHFFFAOYSA-N 0 3 377.554 3.005 40 0 GGABHN CC1CCN([C@H](CNC(=O)[C@H]2COc3ccccc3O2)c2cccs2)CC1 ZINC000022680866 570324168 /nfs/dbraw/zinc/32/41/68/570324168.db2.gz IPCQGTGJANYTPY-VQIMIIECSA-N 0 3 386.517 3.477 40 0 GGABHN N=C1Nc2nc(=O)c3ccccc3n2[C@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000022363044 570343199 /nfs/dbraw/zinc/34/31/99/570343199.db2.gz VVHPZLHGHNQIFT-LJQANCHMSA-N 0 3 383.411 3.476 40 0 GGABHN COc1ccccc1N1CCN(CCc2c[nH]c3cc4c(cc23)OCO4)CC1 ZINC000004214326 570363042 /nfs/dbraw/zinc/36/30/42/570363042.db2.gz GIWODWVYEOAGQV-UHFFFAOYSA-N 0 3 379.460 3.270 40 0 in-man GGABHN COc1cc(/C=C/C(=O)NCCCN(C)Cc2ccccc2)cc(OC)c1OC ZINC000040043404 570409523 /nfs/dbraw/zinc/40/95/23/570409523.db2.gz ADICEFSSXAUESA-VAWYXSNFSA-N 0 3 398.503 3.364 40 0 GGABHN O=S(=O)(Cc1ccc(F)cc1)NCc1ccccc1CN1CCCCC1 ZINC000025371021 570412177 /nfs/dbraw/zinc/41/21/77/570412177.db2.gz LZHRSZUFNYRRFL-UHFFFAOYSA-N 0 3 376.497 3.431 40 0 GGABHN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000025527767 570415393 /nfs/dbraw/zinc/41/53/93/570415393.db2.gz YYFLGAQMABYUER-GOSISDBHSA-N 0 3 389.499 3.282 40 0 GGABHN COC[C@H](C)NC(=O)c1c(C)n([C@H]2CCCN(C(C)C)C2)nc1C(F)(F)F ZINC000036704595 570455957 /nfs/dbraw/zinc/45/59/57/570455957.db2.gz LNZPAJRPFVUUKF-JSGCOSHPSA-N 0 3 390.450 3.020 40 0 GGABHN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCN(C)CC2)cc1 ZINC000223675370 570478006 /nfs/dbraw/zinc/47/80/06/570478006.db2.gz YFWUMXPWVSIZDO-RGEXLXHISA-N 0 3 383.517 3.038 40 0 GGABHN Cc1c(C)n(C[C@H](O)CN(C)Cc2ccc(OCCO)cc2)c2ccccc12 ZINC000257287323 570488807 /nfs/dbraw/zinc/48/88/07/570488807.db2.gz PPLUPUXDPZKAPG-HXUWFJFHSA-N 0 3 382.504 3.122 40 0 GGABHN CCOc1c(CNCCCSc2nnnn2-c2ccccc2)cccc1OC ZINC000007541340 570507959 /nfs/dbraw/zinc/50/79/59/570507959.db2.gz BQHYBSFUBJBBCJ-UHFFFAOYSA-N 0 3 399.520 3.342 40 0 GGABHN COc1cccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000224553184 570518020 /nfs/dbraw/zinc/51/80/20/570518020.db2.gz RETZVVISLZTJEK-UHFFFAOYSA-N 0 3 386.467 3.242 40 0 GGABHN COc1cc(C)c(S(=O)(=O)NCc2ccccc2CN2CCCC2)c(C)c1 ZINC000224803896 570531227 /nfs/dbraw/zinc/53/12/27/570531227.db2.gz QXASSHZOQSMLSS-UHFFFAOYSA-N 0 3 388.533 3.386 40 0 GGABHN COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)C(C)C)cc1OC ZINC000036743728 570569980 /nfs/dbraw/zinc/56/99/80/570569980.db2.gz PEYNZLKJXLDTDY-UXHICEINSA-N 0 3 382.504 3.444 40 0 GGABHN COC(=O)Nc1nc2cc(Sc3ccc(NC(=O)[C@H](C)N)cc3)ccc2[nH]1 ZINC000011726215 570581092 /nfs/dbraw/zinc/58/10/92/570581092.db2.gz GAOHLWCIAJNSEE-JTQLQIEISA-N 0 3 385.449 3.178 40 0 investigational GGABHN COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)[C@H](C)N)cc3)cc2[nH]1 ZINC000011726215 570581095 /nfs/dbraw/zinc/58/10/95/570581095.db2.gz GAOHLWCIAJNSEE-JTQLQIEISA-N 0 3 385.449 3.178 40 0 investigational GGABHN O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000038836043 570586937 /nfs/dbraw/zinc/58/69/37/570586937.db2.gz UNCVMOLJNLJBMP-HXUWFJFHSA-N 0 3 381.495 3.387 40 0 GGABHN O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850771 570587579 /nfs/dbraw/zinc/58/75/79/570587579.db2.gz LYIQXVWCMHGJPY-QFIPXVFZSA-N 0 3 395.522 3.382 40 0 GGABHN COCCN1C(=O)C(CC(=O)Nc2cc(C)cc(C)c2)n2c3ccccc3nc21 ZINC000039963969 570594493 /nfs/dbraw/zinc/59/44/93/570594493.db2.gz CYIIBULTBKFMRR-IBGZPJMESA-N 0 3 392.459 3.216 40 0 GGABHN COCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)n2c3ccccc3nc21 ZINC000039963970 570594585 /nfs/dbraw/zinc/59/45/85/570594585.db2.gz KEMDGOSBIDTRJL-LJQANCHMSA-N 0 3 392.459 3.216 40 0 GGABHN CCN(C[C@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)[C@@H](N)C(C)C ZINC000079393317 570598150 /nfs/dbraw/zinc/59/81/50/570598150.db2.gz OHGRPDLZYNTPCZ-MOPGFXCFSA-N 0 3 375.513 3.010 40 0 GGABHN CN(C)C(=O)c1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1 ZINC000225744209 570612431 /nfs/dbraw/zinc/61/24/31/570612431.db2.gz INTMQANMNAXNFL-UHFFFAOYSA-N 0 3 396.560 3.123 40 0 GGABHN COC(=O)c1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1 ZINC000225743516 570612613 /nfs/dbraw/zinc/61/26/13/570612613.db2.gz SQYKOQUHBLMCHY-UHFFFAOYSA-N 0 3 383.517 3.208 40 0 GGABHN Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000012143398 570615527 /nfs/dbraw/zinc/61/55/27/570615527.db2.gz FQCOFQGKUFZYJG-LAUBAEHRSA-N 0 3 384.499 3.119 40 0 GGABHN Cc1cc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCC(C)C)cc2c1 ZINC000004133514 570618168 /nfs/dbraw/zinc/61/81/68/570618168.db2.gz CZGBNJCDKGERGZ-UHFFFAOYSA-N 0 3 388.581 3.039 40 0 GGABHN COc1ccc(CN2CCC(CNC(=O)[C@H]3OCOc4ccccc43)CC2)cc1 ZINC000012197320 570623568 /nfs/dbraw/zinc/62/35/68/570623568.db2.gz BCWSKWMTMCYRJP-QFIPXVFZSA-N 0 3 396.487 3.131 40 0 GGABHN CCCN1C[C@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccc(OC)cc2)C1 ZINC000012241806 570630589 /nfs/dbraw/zinc/63/05/89/570630589.db2.gz VEJPTMIMNBLOQE-MOPGFXCFSA-N 0 3 382.460 3.032 40 0 GGABHN CCOc1ccccc1CN1CCC[C@@H](Cn2nnc(-c3cccnc3)n2)C1 ZINC000012276023 570631862 /nfs/dbraw/zinc/63/18/62/570631862.db2.gz REKAOKKGXQICLX-QGZVFWFLSA-N 0 3 378.480 3.046 40 0 GGABHN NC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000225904555 570632280 /nfs/dbraw/zinc/63/22/80/570632280.db2.gz AXYAGUNPAJOUJK-KRWDZBQOSA-N 0 3 385.895 3.219 40 0 GGABHN O[C@H](CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 ZINC000012292435 570633298 /nfs/dbraw/zinc/63/32/98/570633298.db2.gz FJUGVTSBIHWWTA-QGZVFWFLSA-N 0 3 375.852 3.086 40 0 GGABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(C)cc3)CC1)C[C@@H]2O ZINC000012293420 570633648 /nfs/dbraw/zinc/63/36/48/570633648.db2.gz VJXGSWZTGIXGHO-LEWJYISDSA-N 0 3 383.488 3.388 40 0 GGABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)CCO2 ZINC000012293374 570633676 /nfs/dbraw/zinc/63/36/76/570633676.db2.gz BEPIPKUFMUQCAU-WOJBJXKFSA-N 0 3 381.472 3.006 40 0 GGABHN CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012293656 570634127 /nfs/dbraw/zinc/63/41/27/570634127.db2.gz CSOLKXNDIGKJHY-RTWAWAEBSA-N 0 3 383.488 3.469 40 0 GGABHN CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012293659 570634182 /nfs/dbraw/zinc/63/41/82/570634182.db2.gz CSOLKXNDIGKJHY-SFTDATJTSA-N 0 3 383.488 3.469 40 0 GGABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293734 570634189 /nfs/dbraw/zinc/63/41/89/570634189.db2.gz UACOOTXIJIDFLN-UXHICEINSA-N 0 3 387.451 3.218 40 0 GGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1OC ZINC000012293791 570634271 /nfs/dbraw/zinc/63/42/71/570634271.db2.gz UWWRGVFMAIMQML-OALUTQOASA-N 0 3 399.487 3.088 40 0 GGABHN CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012293658 570634450 /nfs/dbraw/zinc/63/44/50/570634450.db2.gz CSOLKXNDIGKJHY-NHCUHLMSSA-N 0 3 383.488 3.469 40 0 GGABHN COc1cc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc(OC)c1OC ZINC000004866541 570641217 /nfs/dbraw/zinc/64/12/17/570641217.db2.gz RZQFFVUCOQHHBQ-MJGOQNOKSA-N 0 3 396.487 3.469 40 0 GGABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)c1 ZINC000012329999 570644026 /nfs/dbraw/zinc/64/40/26/570644026.db2.gz LQVVICKPMRXUQH-RTWAWAEBSA-N 0 3 399.487 3.088 40 0 GGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(OC)ccc2O3)cc1 ZINC000012329894 570644032 /nfs/dbraw/zinc/64/40/32/570644032.db2.gz RFQCGOZYYCFGSF-NHCUHLMSSA-N 0 3 399.487 3.088 40 0 GGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)cc1 ZINC000012329887 570644051 /nfs/dbraw/zinc/64/40/51/570644051.db2.gz KMSYVDJMHZUJBR-LEWJYISDSA-N 0 3 399.487 3.088 40 0 GGABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)c1 ZINC000012330005 570644065 /nfs/dbraw/zinc/64/40/65/570644065.db2.gz LQVVICKPMRXUQH-NHCUHLMSSA-N 0 3 399.487 3.088 40 0 GGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000012329939 570644179 /nfs/dbraw/zinc/64/41/79/570644179.db2.gz FHRIOUBPRHPYLS-VQTJNVASSA-N 0 3 387.451 3.218 40 0 GGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)cc1 ZINC000012329878 570644197 /nfs/dbraw/zinc/64/41/97/570644197.db2.gz KMSYVDJMHZUJBR-RTWAWAEBSA-N 0 3 399.487 3.088 40 0 GGABHN Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329827 570644215 /nfs/dbraw/zinc/64/42/15/570644215.db2.gz XKYWIJLQIPZDAS-OALUTQOASA-N 0 3 389.879 3.430 40 0 GGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000012329931 570644227 /nfs/dbraw/zinc/64/42/27/570644227.db2.gz FHRIOUBPRHPYLS-WOJBJXKFSA-N 0 3 387.451 3.218 40 0 GGABHN Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330232 570644797 /nfs/dbraw/zinc/64/47/97/570644797.db2.gz IVFYCIAOZHISOL-FCHUYYIVSA-N 0 3 395.499 3.265 40 0 GGABHN COc1ccccc1CN(CCN(C)C)C(=O)C1(c2ccccc2)CCOCC1 ZINC000012360996 570645840 /nfs/dbraw/zinc/64/58/40/570645840.db2.gz KJABEIFEAYIYJY-UHFFFAOYSA-N 0 3 396.531 3.334 40 0 GGABHN COc1ccccc1/C=C\C[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000012365896 570646845 /nfs/dbraw/zinc/64/68/45/570646845.db2.gz IQAJQLUUSZNIBX-XOWYPZSQSA-N 0 3 380.492 3.294 40 0 GGABHN COc1ccccc1/C=C\C[N@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000012365896 570646848 /nfs/dbraw/zinc/64/68/48/570646848.db2.gz IQAJQLUUSZNIBX-XOWYPZSQSA-N 0 3 380.492 3.294 40 0 GGABHN Cc1cc(CN2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cs1 ZINC000012366361 570647059 /nfs/dbraw/zinc/64/70/59/570647059.db2.gz ASPRAMNTMIOICR-HTZLVSCSSA-N 0 3 385.533 3.049 40 0 GGABHN COc1ncc([C@@]2(O)CC[C@@H]3CN(C/C(C)=C/c4ccccc4)C[C@@H]32)c(OC)n1 ZINC000012407224 570654411 /nfs/dbraw/zinc/65/44/11/570654411.db2.gz WUOIHSRQCNJTNU-AFWFRVNDSA-N 0 3 395.503 3.127 40 0 GGABHN FC(F)(F)[C@H]1C[C@@H](C2CCN(CCOc3ccccc3)CC2)Nc2ncnn21 ZINC000012407921 570654811 /nfs/dbraw/zinc/65/48/11/570654811.db2.gz LYMVIDIHQIGWBF-DLBZAZTESA-N 0 3 395.429 3.357 40 0 GGABHN COc1ccccc1OCCNC[C@@H](O)COCC1=CC[C@@H]2C[C@H]1C2(C)C ZINC000006653229 570672836 /nfs/dbraw/zinc/67/28/36/570672836.db2.gz ZEJJOFIBBRLTQC-GUDVDZBRSA-N 0 3 375.509 3.034 40 0 GGABHN O=C(CCc1nc2ccccc2c(=O)[nH]1)NC1CCN(Cc2ccccc2)CC1 ZINC000008763083 570681992 /nfs/dbraw/zinc/68/19/92/570681992.db2.gz JPUNSIKJCOIEKS-UHFFFAOYSA-N 0 3 390.487 3.049 40 0 GGABHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000060365799 570702651 /nfs/dbraw/zinc/70/26/51/570702651.db2.gz ZEPLTQRWNRXKAI-QZTJIDSGSA-N 0 3 394.441 3.133 40 0 GGABHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[C@H]1c1cnn(C)c1 ZINC000060365796 570702855 /nfs/dbraw/zinc/70/28/55/570702855.db2.gz ZEPLTQRWNRXKAI-ROUUACIJSA-N 0 3 394.441 3.133 40 0 GGABHN Cc1noc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)n1 ZINC000022991330 570753342 /nfs/dbraw/zinc/75/33/42/570753342.db2.gz FVOGRHSHQFNOQB-UHFFFAOYSA-N 0 3 376.460 3.439 40 0 GGABHN Cc1nc(NCCNC(=O)c2ccc(F)cc2Cl)cc(N2CCCC2)n1 ZINC000036708037 570793500 /nfs/dbraw/zinc/79/35/00/570793500.db2.gz AAQSPRZNSATVIT-UHFFFAOYSA-N 0 3 377.851 3.020 40 0 GGABHN CC(=O)Nc1ccc2nc(NC(=O)C3Oc4ccccc4O[C@@H]3C)sc2c1 ZINC000037143086 570843079 /nfs/dbraw/zinc/84/30/79/570843079.db2.gz CFMDOTRIRXIMQT-BMLIUANNSA-N 0 3 383.429 3.422 40 0 GGABHN CC(=O)Nc1ccc2nc(NC(=O)C3Oc4ccccc4O[C@H]3C)sc2c1 ZINC000037143089 570843091 /nfs/dbraw/zinc/84/30/91/570843091.db2.gz CFMDOTRIRXIMQT-BTDLBPIBSA-N 0 3 383.429 3.422 40 0 GGABHN Cc1ccsc1CN1CCN(c2ccccc2[C@H](O)c2nccn2C)CC1 ZINC000072340499 570880415 /nfs/dbraw/zinc/88/04/15/570880415.db2.gz VOFYDAWTQFTHNW-FQEVSTJZSA-N 0 3 382.533 3.194 40 0 GGABHN Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(CC2CCCCC2)CC1 ZINC000072340536 570880945 /nfs/dbraw/zinc/88/09/45/570880945.db2.gz OFYDUMDLNHHWGZ-NRFANRHFSA-N 0 3 386.515 3.343 40 0 GGABHN CCN1CCC[C@H]1CN(Cc1ccnn1[C@H]1CCCCO1)Cc1cccnc1 ZINC000257219713 570890066 /nfs/dbraw/zinc/89/00/66/570890066.db2.gz DHVVKSGVYXWJFQ-RBBKRZOGSA-N 0 3 383.540 3.464 40 0 GGABHN C[C@@H](CCN1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000257279127 570900498 /nfs/dbraw/zinc/90/04/98/570900498.db2.gz OFDBNDGNKASTIQ-RCCFBDPRSA-N 0 3 396.535 3.348 40 0 GGABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102005409 570901519 /nfs/dbraw/zinc/90/15/19/570901519.db2.gz CVCFJUHBGJCSBU-UFYCRDLUSA-N 0 3 389.386 3.272 40 0 GGABHN Cc1ccnn1CCC(=O)NC[C@H]1CC[C@H]([C@@H](c2ccccn2)N(C)C)CC1 ZINC000257327860 570908198 /nfs/dbraw/zinc/90/81/98/570908198.db2.gz XDAWSJICQZEPLV-IPJJNNNSSA-N 0 3 383.540 3.202 40 0 GGABHN COc1ccc(CN[C@@H](CN2CCOCC2)c2ccccc2)cc1OC(F)F ZINC000096971516 570911590 /nfs/dbraw/zinc/91/15/90/570911590.db2.gz KAROHKDIOOIUCB-SFHVURJKSA-N 0 3 392.446 3.460 40 0 GGABHN CCN(CC)CCSc1nnc(N2CCN(c3ccc(F)cc3)CC2)s1 ZINC000023139872 570917102 /nfs/dbraw/zinc/91/71/02/570917102.db2.gz OXPKOPAUTOBAKO-UHFFFAOYSA-N 0 3 395.573 3.438 40 0 GGABHN CCn1cc(CN2CCC[C@@]3(CCC(=O)N3Cc3csc(C)n3)CC2)cn1 ZINC000585100035 570924040 /nfs/dbraw/zinc/92/40/40/570924040.db2.gz CURYGWKJRZTQOL-HXUWFJFHSA-N 0 3 387.553 3.215 40 0 GGABHN O=C(C1CC(O)C1)N1CCC[C@@]2(CCCN2Cc2cc(F)ccc2F)CC1 ZINC000585100423 570924484 /nfs/dbraw/zinc/92/44/84/570924484.db2.gz VBZNYUWBYQDTMA-ZYKWQNGHSA-N 0 3 378.463 3.083 40 0 GGABHN CN(C)C(=O)CN1CCC[C@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2 ZINC000585100626 570924784 /nfs/dbraw/zinc/92/47/84/570924784.db2.gz QPJFCFHPDCCDER-FQEVSTJZSA-N 0 3 395.906 3.028 40 0 GGABHN O=C(C1CC(O)C1)N1CCC[C@]2(CCCN2Cc2cc(F)ccc2F)CC1 ZINC000585100422 570924870 /nfs/dbraw/zinc/92/48/70/570924870.db2.gz VBZNYUWBYQDTMA-RVAKQSJFSA-N 0 3 378.463 3.083 40 0 GGABHN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000019366749 570925415 /nfs/dbraw/zinc/92/54/15/570925415.db2.gz SYXLOOHCNOJAFE-FQEVSTJZSA-N 0 3 386.519 3.262 40 0 GGABHN CC(C)C[C@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 ZINC000019446917 570925816 /nfs/dbraw/zinc/92/58/16/570925816.db2.gz CEGDTPRNAOUHQV-LJQANCHMSA-N 0 3 388.585 3.430 40 0 GGABHN Cc1nc(C)c(CN2CCC[C@]3(CCC(=O)N3C[C@H]3CCCO3)CC2)s1 ZINC000585099869 570926330 /nfs/dbraw/zinc/92/63/30/570926330.db2.gz NADIZGMIJNNFFP-XLIONFOSSA-N 0 3 377.554 3.286 40 0 GGABHN Cc1c(CN2CCC[C@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)nc2ccccn12 ZINC000585099848 570926377 /nfs/dbraw/zinc/92/63/77/570926377.db2.gz IMJAENNKHWJFGO-CVDCTZTESA-N 0 3 396.535 3.169 40 0 GGABHN Cc1c(CN2CCC[C@@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)nc2ccccn12 ZINC000585099849 570926444 /nfs/dbraw/zinc/92/64/44/570926444.db2.gz IMJAENNKHWJFGO-WMZHIEFXSA-N 0 3 396.535 3.169 40 0 GGABHN CCOC[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218581314 570929409 /nfs/dbraw/zinc/92/94/09/570929409.db2.gz IKZXVLAROAUQFK-SLFFLAALSA-N 0 3 377.481 3.055 40 0 GGABHN CCOC[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218581087 570929504 /nfs/dbraw/zinc/92/95/04/570929504.db2.gz IKZXVLAROAUQFK-AABGKKOBSA-N 0 3 377.481 3.055 40 0 GGABHN CCOC[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218581179 570929548 /nfs/dbraw/zinc/92/95/48/570929548.db2.gz IKZXVLAROAUQFK-HSALFYBXSA-N 0 3 377.481 3.055 40 0 GGABHN COc1cc(OC)c(OC)cc1CN1CCN(CCCc2ccccc2)CC1 ZINC000019973413 570933217 /nfs/dbraw/zinc/93/32/17/570933217.db2.gz KWSOXQLEKNQILX-UHFFFAOYSA-N 0 3 384.520 3.463 40 0 GGABHN Cc1noc(C)c1CN1C[C@]2(CC1=O)COCCN(Cc1cc(C)ccc1C)C2 ZINC000585104745 570933719 /nfs/dbraw/zinc/93/37/19/570933719.db2.gz SUOCSQCDOHXRGQ-HSZRJFAPSA-N 0 3 397.519 3.159 40 0 GGABHN Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CN2C[C@H](C)c2ccccc2)C1 ZINC000585108005 570939710 /nfs/dbraw/zinc/93/97/10/570939710.db2.gz UOUVFJZECRNRSD-CEWLAPEOSA-N 0 3 384.545 3.494 40 0 GGABHN Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CN2C[C@@H](C)c2ccccc2)C1 ZINC000585108006 570939838 /nfs/dbraw/zinc/93/98/38/570939838.db2.gz UOUVFJZECRNRSD-HLAWJBBLSA-N 0 3 384.545 3.494 40 0 GGABHN Cc1cccc(NC(=O)[C@@H](C)NCC2(c3ccc4c(c3)OCO4)CCOCC2)c1 ZINC000060091032 570968935 /nfs/dbraw/zinc/96/89/35/570968935.db2.gz HOYLYDXEPWTGFV-QGZVFWFLSA-N 0 3 396.487 3.389 40 0 GGABHN COc1cccc(N2CCN(C3CCN(Cc4csc(C)n4)CC3)CC2)c1 ZINC000252510163 570979286 /nfs/dbraw/zinc/97/92/86/570979286.db2.gz ZCSOTEAGFMUXQC-UHFFFAOYSA-N 0 3 386.565 3.247 40 0 GGABHN COc1ccccc1NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000027349416 570997060 /nfs/dbraw/zinc/99/70/60/570997060.db2.gz ONKWHAGSPBDQOW-HXUWFJFHSA-N 0 3 382.508 3.196 40 0 GGABHN N#Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(Cc3ccccn3)C2)c1 ZINC000005396848 1398441130 /nfs/dbraw/zinc/44/11/30/1398441130.db2.gz XXMGOBWADWDNHP-AZUAARDMSA-N 0 3 382.467 3.401 40 0 biogenic,in-vitro GGABHN CC(=O)N1Cc2ccccc2O[C@@H]([C@@H]2CCCN(Cc3ccncc3C)C2)C1 ZINC000019239510 1399328723 /nfs/dbraw/zinc/32/87/23/1399328723.db2.gz JSTZTLMGBSLWOX-NFBKMPQASA-N 0 3 379.504 3.412 40 0 GGABHN CN(C)c1ncccc1CN1CC[C@@H](c2cc(COc3ccccc3)[nH]n2)C1 ZINC000019704289 1399335343 /nfs/dbraw/zinc/33/53/43/1399335343.db2.gz ILARHSQAHZLPPI-QGZVFWFLSA-N 0 3 377.492 3.439 40 0 GGABHN CCOC(=O)C1=C(CN(C)C2CCCCCC2)NC(=O)N[C@H]1c1ccco1 ZINC000029146766 1400248609 /nfs/dbraw/zinc/24/86/09/1400248609.db2.gz HQHQVYGVBUWJSO-SFHVURJKSA-N 0 3 375.469 3.105 40 0 GGABHN CCOc1ccc([C@H](N)c2n[nH]c(COc3ccc(F)cc3)n2)cc1OCC ZINC000095534548 1410315381 /nfs/dbraw/zinc/31/53/81/1410315381.db2.gz JWHAKASDYRKQDX-IBGZPJMESA-N 0 3 386.427 3.368 40 0 GGABHN Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000226851994 1433369177 /nfs/dbraw/zinc/36/91/77/1433369177.db2.gz HHMXXOJPVYANAE-RXVVDRJESA-N 0 3 392.503 3.367 40 0 GGABHN Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000226852010 1433369217 /nfs/dbraw/zinc/36/92/17/1433369217.db2.gz HHMXXOJPVYANAE-GHTZIAJQSA-N 0 3 392.503 3.367 40 0 GGABHN CC(C)[N@@H+]1CCC[C@H](c2cc(=O)[n-]c(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)n2)C1 ZINC000248170310 1433777367 /nfs/dbraw/zinc/77/73/67/1433777367.db2.gz RLQMQYYSZBJAFA-NJAFHUGGSA-N 0 3 386.540 3.132 40 0 GGABHN CC(C)[N@H+]1CCC[C@H](c2cc(=O)[n-]c(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)n2)C1 ZINC000248170310 1433777371 /nfs/dbraw/zinc/77/73/71/1433777371.db2.gz RLQMQYYSZBJAFA-NJAFHUGGSA-N 0 3 386.540 3.132 40 0 GGABHN CC(C)[N@@H+]1CCC[C@H](c2cc(=O)[n-]c(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)n2)C1 ZINC000248170309 1433777425 /nfs/dbraw/zinc/77/74/25/1433777425.db2.gz RLQMQYYSZBJAFA-BPQIPLTHSA-N 0 3 386.540 3.132 40 0 GGABHN CC(C)[N@H+]1CCC[C@H](c2cc(=O)[n-]c(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)n2)C1 ZINC000248170309 1433777433 /nfs/dbraw/zinc/77/74/33/1433777433.db2.gz RLQMQYYSZBJAFA-BPQIPLTHSA-N 0 3 386.540 3.132 40 0 GGABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2cccc(Br)c2)C1 ZINC000255975285 222744225 /nfs/dbraw/zinc/74/42/25/222744225.db2.gz GWDHQNZKRBNVSU-HUUCEWRRSA-N 0 3 384.318 3.048 40 0 GGABHN Cc1cccc2cc(CN(CCN(C)C)C(=O)NC3CCCCC3)c(=O)[nH]c12 ZINC000001378150 212239619 /nfs/dbraw/zinc/23/96/19/212239619.db2.gz GISQAAOGRGLNDK-UHFFFAOYSA-N 0 3 384.524 3.242 40 0 GGABHN CN(C)Cc1ccccc1CNC(=O)c1ccccc1I ZINC000009917179 212236870 /nfs/dbraw/zinc/23/68/70/212236870.db2.gz LHLIZJRSIZEXIL-UHFFFAOYSA-N 0 3 394.256 3.283 40 0 GGABHN CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C3CCCCC3)CCN21 ZINC000253406799 212136010 /nfs/dbraw/zinc/13/60/10/212136010.db2.gz UYSWKXZQYLXNJN-NRFANRHFSA-N 0 3 384.568 3.309 40 0 biogenic,in-vitro GGABHN CCCOc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(N)c2)cc1 ZINC000226263858 212115428 /nfs/dbraw/zinc/11/54/28/212115428.db2.gz PPZKJAFSNDLBDF-UHFFFAOYSA-N 0 3 382.508 3.452 40 0 GGABHN Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCN(C)C)cc1 ZINC000002678700 212102685 /nfs/dbraw/zinc/10/26/85/212102685.db2.gz QIDAHWHPNICZKK-XMHGGMMESA-N 0 3 385.895 3.097 40 0 GGABHN CN(C)CCNC(=O)/C(=C\c1ccc(C(C)(C)C)cc1)NC(=O)c1ccccc1 ZINC000023199944 212105423 /nfs/dbraw/zinc/10/54/23/212105423.db2.gz FSHRRPCJBOTHGM-HEHNFIMWSA-N 0 3 393.531 3.433 40 0 GGABHN CCCc1nc2c(nnn2Cc2ccccc2F)c(NCCN2CCCCC2)n1 ZINC000004985466 220804854 /nfs/dbraw/zinc/80/48/54/220804854.db2.gz XRAXOVHYNLPAAK-UHFFFAOYSA-N 0 3 397.502 3.259 40 0 GGABHN CN(C)CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1 ZINC000008216673 221032235 /nfs/dbraw/zinc/03/22/35/221032235.db2.gz AMFZGBCRYCSEHO-UHFFFAOYSA-N 0 3 399.882 3.172 40 0 GGABHN Cc1ccccc1C1(O)CCN(Cc2cn(CCC(N)=O)c3ccccc23)CC1 ZINC000012118288 221152902 /nfs/dbraw/zinc/15/29/02/221152902.db2.gz FPUJAGTYPPSABF-UHFFFAOYSA-N 0 3 391.515 3.309 40 0 GGABHN COc1cc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc(OC)c1OC ZINC000012135081 221157650 /nfs/dbraw/zinc/15/76/50/221157650.db2.gz PEONMQIKWLZDSK-NHJWOMDBSA-N 0 3 398.503 3.227 40 0 GGABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(C)cc3)CC1)O2 ZINC000012293432 221175539 /nfs/dbraw/zinc/17/55/39/221175539.db2.gz KZCYXXTYFPBYDS-RTWAWAEBSA-N 0 3 383.488 3.388 40 0 GGABHN O[C@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012292240 221175809 /nfs/dbraw/zinc/17/58/09/221175809.db2.gz LASPYWYAVGVVHO-LJQANCHMSA-N 0 3 387.451 3.004 40 0 GGABHN COc1ccccc1C1(O)CCN(Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000012292751 221175852 /nfs/dbraw/zinc/17/58/52/221175852.db2.gz FVXIDADMJCSDHN-UHFFFAOYSA-N 0 3 380.488 3.306 40 0 GGABHN Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc(N4CCCC4=O)cc3)CC2)c1 ZINC000012292132 221176082 /nfs/dbraw/zinc/17/60/82/221176082.db2.gz SBOLGYCQYRQXJC-JOCHJYFZSA-N 0 3 394.515 3.139 40 0 GGABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293731 221176119 /nfs/dbraw/zinc/17/61/19/221176119.db2.gz UACOOTXIJIDFLN-WOJBJXKFSA-N 0 3 387.451 3.218 40 0 GGABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCO2 ZINC000012329313 221182101 /nfs/dbraw/zinc/18/21/01/221182101.db2.gz QEDMVXOTLSBWFV-UXHICEINSA-N 0 3 399.462 3.145 40 0 GGABHN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000012330225 221182444 /nfs/dbraw/zinc/18/24/44/221182444.db2.gz IVFYCIAOZHISOL-YADHBBJMSA-N 0 3 395.499 3.265 40 0 GGABHN CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012329371 221182466 /nfs/dbraw/zinc/18/24/66/221182466.db2.gz SADXNRTZMQJCNS-NHCUHLMSSA-N 0 3 396.487 3.029 40 0 GGABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)c1 ZINC000012330093 221182555 /nfs/dbraw/zinc/18/25/55/221182555.db2.gz BRRYITHVQASFDJ-LEWJYISDSA-N 0 3 383.488 3.388 40 0 GGABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCO2 ZINC000012329324 221182722 /nfs/dbraw/zinc/18/27/22/221182722.db2.gz QEDMVXOTLSBWFV-VQTJNVASSA-N 0 3 399.462 3.145 40 0 GGABHN COc1ccccc1CN1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000012182114 221162535 /nfs/dbraw/zinc/16/25/35/221162535.db2.gz SGYAEKOQSURYHA-JLJPHGGASA-N 0 3 395.429 3.487 40 0 GGABHN COc1ccc2c(c1)C=C(CN(Cc1ccc3c(c1)OCO3)C[C@@H](C)O)CO2 ZINC000012185680 221164148 /nfs/dbraw/zinc/16/41/48/221164148.db2.gz JARVVCYZZBEXPR-OAHLLOKOSA-N 0 3 383.444 3.083 40 0 GGABHN CC(=O)NC1(c2ccccc2)CCN(C[C@H](O)c2ccc3c(c2)CCC3)CC1 ZINC000012188468 221165855 /nfs/dbraw/zinc/16/58/55/221165855.db2.gz MSZXJUMYDAVDQE-QHCPKHFHSA-N 0 3 378.516 3.336 40 0 GGABHN O=C(Nc1ccc([C@@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1)C1CC1 ZINC000012241613 221171419 /nfs/dbraw/zinc/17/14/19/221171419.db2.gz VFDDXSXZNAMSOM-NRFANRHFSA-N 0 3 398.478 3.191 40 0 GGABHN COC(=O)Cn1cc(CN2CCC(O)(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000012240633 221171676 /nfs/dbraw/zinc/17/16/76/221171676.db2.gz PUFMUJLINMOLOZ-UHFFFAOYSA-N 0 3 396.462 3.437 40 0 GGABHN COc1cc(CN2Cc3ccccc3O[C@H](CN(C)C)C2)cc(OC)c1OC ZINC000012235319 221171798 /nfs/dbraw/zinc/17/17/98/221171798.db2.gz OHJGXAUEBDKWGH-GOSISDBHSA-N 0 3 386.492 3.037 40 0 GGABHN NC(=O)CCn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21 ZINC000012240537 221171879 /nfs/dbraw/zinc/17/18/79/221171879.db2.gz ASJDFKIEVPVIBG-UHFFFAOYSA-N 0 3 395.478 3.139 40 0 GGABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@H]2C1=O ZINC000013115717 221261473 /nfs/dbraw/zinc/26/14/73/221261473.db2.gz OKIOGBUHXQLPFA-HKBOAZHASA-N 0 3 385.423 3.441 40 0 GGABHN C[C@H]1C[C@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000013669575 221279611 /nfs/dbraw/zinc/27/96/11/221279611.db2.gz DAOVIHDXYIGVMZ-RYUDHWBXSA-N 0 3 395.388 3.157 40 0 GGABHN C[C@@H]1C[C@@H](C)C[NH+](CCC[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000013669572 221279972 /nfs/dbraw/zinc/27/99/72/221279972.db2.gz DAOVIHDXYIGVMZ-VXGBXAGGSA-N 0 3 395.388 3.157 40 0 GGABHN COc1ccc([C@H](CNC(=O)Cc2ccc(Br)cc2)N(C)C)cc1 ZINC000014202158 221304913 /nfs/dbraw/zinc/30/49/13/221304913.db2.gz WCMRMMYYTROHSZ-SFHVURJKSA-N 0 3 391.309 3.419 40 0 GGABHN Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019135933 221398937 /nfs/dbraw/zinc/39/89/37/221398937.db2.gz FNCBIJOFLONZGR-MJGOQNOKSA-N 0 3 378.520 3.283 40 0 GGABHN Cc1cc2c(cc1Br)C(=O)[C@](CN1CCCC1)(N1CCCC1)CO2 ZINC000019203023 221399168 /nfs/dbraw/zinc/39/91/68/221399168.db2.gz UCJXTILPSMJENB-LJQANCHMSA-N 0 3 393.325 3.263 40 0 GGABHN Cc1cc2c(cc1Br)[C@@H](O)[C@](CN1CCCC1)(N1CCCC1)CO2 ZINC000019203034 221399179 /nfs/dbraw/zinc/39/91/79/221399179.db2.gz XKOJYNYWQJNWBN-RTBURBONSA-N 0 3 395.341 3.114 40 0 GGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000018206997 221390030 /nfs/dbraw/zinc/39/00/30/221390030.db2.gz MLMNIIWAGRXMHP-AABGKKOBSA-N 0 3 390.395 3.339 40 0 GGABHN CCOc1cc(CN[C@H](C)C(C)(C)C)c(Br)cc1OCC(N)=O ZINC000036612932 221860826 /nfs/dbraw/zinc/86/08/26/221860826.db2.gz HCWALIPJYODTAF-LLVKDONJSA-N 0 3 387.318 3.236 40 0 GGABHN Cc1cccc(NC(=O)[C@H](C)NCC2(c3ccc4c(c3)OCO4)CCOCC2)c1 ZINC000060091035 222058065 /nfs/dbraw/zinc/05/80/65/222058065.db2.gz HOYLYDXEPWTGFV-KRWDZBQOSA-N 0 3 396.487 3.389 40 0 GGABHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000060365798 222059971 /nfs/dbraw/zinc/05/99/71/222059971.db2.gz ZEPLTQRWNRXKAI-ZWKOTPCHSA-N 0 3 394.441 3.133 40 0 GGABHN O=C(Nc1ccn(Cc2ccccn2)n1)NC1CCN(Cc2ccccc2)CC1 ZINC000072055082 222204322 /nfs/dbraw/zinc/20/43/22/222204322.db2.gz PQSWNJYRXPRHMF-UHFFFAOYSA-N 0 3 390.491 3.113 40 0 GGABHN COc1ccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1OC ZINC000072327125 222228778 /nfs/dbraw/zinc/22/87/78/222228778.db2.gz FCGBRWFNWNHPMG-UHFFFAOYSA-N 0 3 392.503 3.184 40 0 GGABHN COC(=O)[C@@]1(Cc2ccc(OC)cc2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340204 222231857 /nfs/dbraw/zinc/23/18/57/222231857.db2.gz WCTCPARKUCMHKL-NHCICSSKSA-N 0 3 393.483 3.403 40 0 GGABHN COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000072354542 222237249 /nfs/dbraw/zinc/23/72/49/222237249.db2.gz RATNJEMWQWGENX-QFIPXVFZSA-N 0 3 398.522 3.408 40 0 GGABHN O=C(COc1ccccc1)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355117 222239574 /nfs/dbraw/zinc/23/95/74/222239574.db2.gz GQZUXEPXWANLJB-FQEVSTJZSA-N 0 3 393.531 3.406 40 0 GGABHN Cc1noc(C)c1CC(=O)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355217 222239638 /nfs/dbraw/zinc/23/96/38/222239638.db2.gz WEGCNLCTTRSMCW-IBGZPJMESA-N 0 3 396.535 3.175 40 0 GGABHN Nc1cc(-c2c[nH]nc2[C@H]2CCCN(CCOCc3ccccc3)C2)ccn1 ZINC000072356497 222239926 /nfs/dbraw/zinc/23/99/26/222239926.db2.gz RKMIJEOSEMNRLY-IBGZPJMESA-N 0 3 377.492 3.450 40 0 GGABHN CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(Cc3cnn(C)c3)C2)c1 ZINC000072359064 222239946 /nfs/dbraw/zinc/23/99/46/222239946.db2.gz DYTGFQGQCVBJDV-IBGZPJMESA-N 0 3 390.491 3.215 40 0 GGABHN COc1ccc(Oc2cc(C)nc(C3CCN(C(=O)C(C)(C)N)CC3)n2)cc1 ZINC000072363078 222240802 /nfs/dbraw/zinc/24/08/02/222240802.db2.gz ABJAKOOBGBQPFX-UHFFFAOYSA-N 0 3 384.480 3.029 40 0 GGABHN COc1cccc(Oc2cc(C)nc([C@H]3CCCN(C(=O)C(C)(C)N)C3)n2)c1 ZINC000072363058 222240931 /nfs/dbraw/zinc/24/09/31/222240931.db2.gz QYVQGSINQDBWTC-HNNXBMFYSA-N 0 3 384.480 3.029 40 0 GGABHN CN1CCC(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4F)n3)C2)CC1 ZINC000072363244 222241327 /nfs/dbraw/zinc/24/13/27/222241327.db2.gz XSXQSASLUBZHTD-KRWDZBQOSA-N 0 3 398.482 3.456 40 0 GGABHN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(CC(=O)N3CCCCC3)C2)n1 ZINC000072374835 222241819 /nfs/dbraw/zinc/24/18/19/222241819.db2.gz XZSJIILBRSGIMN-GOSISDBHSA-N 0 3 394.523 3.116 40 0 GGABHN CN1CCC(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2ccc(F)cc2)CC1 ZINC000072377280 222244420 /nfs/dbraw/zinc/24/44/20/222244420.db2.gz NTQFUMXUIVUVAQ-IBGZPJMESA-N 0 3 397.498 3.260 40 0 GGABHN O=C(c1cc([C@@H]2CCCCN2CCCc2ccccc2)n[nH]1)N1CCOCC1 ZINC000072380627 222244857 /nfs/dbraw/zinc/24/48/57/222244857.db2.gz WIKMIRUDKXZDNI-NRFANRHFSA-N 0 3 382.508 3.042 40 0 GGABHN COc1ccc(CN2CCC[C@@H](c3ccnc(Nc4cncnc4)n3)C2)cc1 ZINC000072377453 222245739 /nfs/dbraw/zinc/24/57/39/222245739.db2.gz IODWFVGCXCPVFO-QGZVFWFLSA-N 0 3 376.464 3.398 40 0 GGABHN CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C[C@@H](C)c2ccccc2)C3)C1 ZINC000072390913 222247381 /nfs/dbraw/zinc/24/73/81/222247381.db2.gz FHQIMSAPJSSYKM-YLJYHZDGSA-N 0 3 378.520 3.364 40 0 GGABHN CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2CN2CCN(C(C)C)CC2)C1 ZINC000072395287 222250448 /nfs/dbraw/zinc/25/04/48/222250448.db2.gz ZRJHCZQEOVJNDP-GOSISDBHSA-N 0 3 397.567 3.205 40 0 GGABHN COc1ccccc1C[N@@H+]1CCC[C@H](c2cc(=O)[n-]c(-c3cccnc3)n2)C1 ZINC000072393052 222250930 /nfs/dbraw/zinc/25/09/30/222250930.db2.gz QSZSUOIFVXYPDI-KRWDZBQOSA-N 0 3 376.460 3.220 40 0 GGABHN COc1ccccc1C[N@H+]1CCC[C@H](c2cc(=O)[n-]c(-c3cccnc3)n2)C1 ZINC000072393052 222250936 /nfs/dbraw/zinc/25/09/36/222250936.db2.gz QSZSUOIFVXYPDI-KRWDZBQOSA-N 0 3 376.460 3.220 40 0 GGABHN CC(C(=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000079038774 222302158 /nfs/dbraw/zinc/30/21/58/222302158.db2.gz YTMRVDKGPUZVLI-UGSOOPFHSA-N 0 3 377.531 3.266 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCC(CN(C(=O)OCc2ccccc2)C(C)C)CC1 ZINC000079413454 222304673 /nfs/dbraw/zinc/30/46/73/222304673.db2.gz GHUKWDOPTUZNGR-FQEVSTJZSA-N 0 3 389.540 3.256 40 0 GGABHN CCN(C[C@H]1CCCCN1C(=O)[C@@H](N)C(C)C)C(=O)OCc1ccccc1 ZINC000079413345 222305348 /nfs/dbraw/zinc/30/53/48/222305348.db2.gz AKWVVWZMOQDTKM-MOPGFXCFSA-N 0 3 375.513 3.010 40 0 GGABHN CCN(C[C@@H]1CCCCN1C(=O)[C@@H](N)C(C)C)C(=O)OCc1ccccc1 ZINC000079413337 222305522 /nfs/dbraw/zinc/30/55/22/222305522.db2.gz AKWVVWZMOQDTKM-OALUTQOASA-N 0 3 375.513 3.010 40 0 GGABHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000084504675 222315806 /nfs/dbraw/zinc/31/58/06/222315806.db2.gz GIAVJPQSOZPCGO-ZDUSSCGKSA-N 0 3 391.393 3.054 40 0 GGABHN COc1ccc(CN2CCC3(C[C@H](N(C)Cc4cccnc4)CO3)CC2)cc1 ZINC000096047987 222374582 /nfs/dbraw/zinc/37/45/82/222374582.db2.gz SOXVLUMUHDHLFM-NRFANRHFSA-N 0 3 381.520 3.346 40 0 GGABHN COCCN1c2ccccc2C2(CCN(Cc3ccc(OC)cc3)CC2)C1=O ZINC000096052513 222374720 /nfs/dbraw/zinc/37/47/20/222374720.db2.gz MXRXVNQXCQPJLJ-UHFFFAOYSA-N 0 3 380.488 3.222 40 0 GGABHN Cc1nc(CN2C(=O)COC3(CCN(Cc4cccs4)CC3)[C@H]2C)cs1 ZINC000096062274 222376067 /nfs/dbraw/zinc/37/60/67/222376067.db2.gz BAKVTHOLSIHBJQ-CQSZACIVSA-N 0 3 391.562 3.295 40 0 GGABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccco1)CCC2 ZINC000096056073 222377148 /nfs/dbraw/zinc/37/71/48/222377148.db2.gz OOYSZPJYHZFBAV-CVDCTZTESA-N 0 3 397.519 3.260 40 0 GGABHN COCCN(C)c1nc(C2CCN(Cc3ccco3)CC2)cc2c1ncn2C ZINC000096099957 222379702 /nfs/dbraw/zinc/37/97/02/222379702.db2.gz CIMLMOXTJJGCKF-UHFFFAOYSA-N 0 3 383.496 3.024 40 0 GGABHN COCCN(C)c1nc(C2CCN(Cc3ccsc3)CC2)cc2c1ncn2C ZINC000096099959 222380391 /nfs/dbraw/zinc/38/03/91/222380391.db2.gz WGHMEKCMZLRMLK-UHFFFAOYSA-N 0 3 399.564 3.492 40 0 GGABHN F[C@@H]1CN(C2CCOCC2)C[C@@H]1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000096112250 222381058 /nfs/dbraw/zinc/38/10/58/222381058.db2.gz CWUBXVXWVRJECF-CJNGLKHVSA-N 0 3 387.377 3.300 40 0 biogenic,in-vitro GGABHN Fc1cnccc1CNC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21 ZINC000096112699 222382068 /nfs/dbraw/zinc/38/20/68/222382068.db2.gz IQTKLAKPMGKNBS-ZDUSSCGKSA-N 0 3 380.345 3.450 40 0 biogenic,in-vitro GGABHN CN(C)[C@@H]1CCN(C(=O)c2ccc3ccc(N(C)Cc4ccc(F)cc4)n3c2)C1 ZINC000096146165 222390150 /nfs/dbraw/zinc/39/01/50/222390150.db2.gz XWDGEAJSMAXTFM-OAQYLSRUSA-N 0 3 394.494 3.491 40 0 GGABHN COc1ccc(N(C)c2ccc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cn32)cc1 ZINC000096146220 222390249 /nfs/dbraw/zinc/39/02/49/222390249.db2.gz BBROATVHFQZWRX-HXUWFJFHSA-N 0 3 392.503 3.492 40 0 GGABHN CC(C)N1CCN(c2ccc3ccc(C(=O)NCCc4ccccc4)cn32)CC1 ZINC000096156085 222392660 /nfs/dbraw/zinc/39/26/60/222392660.db2.gz IZZZQNRADDMWEF-UHFFFAOYSA-N 0 3 390.531 3.442 40 0 GGABHN Cc1cccc(C(=O)N2CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC2)n1 ZINC000096221012 222397892 /nfs/dbraw/zinc/39/78/92/222397892.db2.gz DBAKYKXWCHSVPZ-FQEVSTJZSA-N 0 3 379.504 3.286 40 0 GGABHN CN(Cc1nc(C2(O)CCN(C3CCCC3)CC2)cs1)Cc1cccnc1 ZINC000225475721 560042996 /nfs/dbraw/zinc/04/29/96/560042996.db2.gz ASQWTMPRVUCOGK-UHFFFAOYSA-N 0 3 386.565 3.396 40 0 biogenic,in-vitro GGABHN CN(Cc1nc(C2(O)CCN(CC(C)(C)C)CC2)cs1)Cc1cccnc1 ZINC000225425763 560043036 /nfs/dbraw/zinc/04/30/36/560043036.db2.gz FKPXMNQEPRRADW-UHFFFAOYSA-N 0 3 388.581 3.500 40 0 biogenic,in-vitro GGABHN O[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCc1ccncc1 ZINC000077262599 560046566 /nfs/dbraw/zinc/04/65/66/560046566.db2.gz HAWVBIQCTBCQBD-JAXLGGSGSA-N 0 3 397.450 3.117 40 0 biogenic,in-vitro GGABHN COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3C3CCCCC3)n2)cn1 ZINC000035425643 560080277 /nfs/dbraw/zinc/08/02/77/560080277.db2.gz BXHITGIHNCPSAE-INIZCTEOSA-N 0 3 385.468 3.186 40 0 biogenic,in-vitro GGABHN CN1CCC(N2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)CC1 ZINC000049155488 560083904 /nfs/dbraw/zinc/08/39/04/560083904.db2.gz SECPMXVBZDZHIQ-FQEVSTJZSA-N 0 3 390.491 3.425 40 0 biogenic,in-vitro GGABHN CC[C@@H](CO)NCc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000006870733 564229241 /nfs/dbraw/zinc/22/92/41/564229241.db2.gz LBWGBMPFIBSXBD-HNNXBMFYSA-N 0 3 395.297 3.292 40 0 GGABHN CCOc1cc(CNCc2cccs2)cc(Br)c1OCC(N)=O ZINC000008253735 564248060 /nfs/dbraw/zinc/24/80/60/564248060.db2.gz RDMQWXVGFLTDFQ-UHFFFAOYSA-N 0 3 399.310 3.063 40 0 GGABHN CCN1CCC(NC(=O)c2ccc(Cl)cc2I)CC1 ZINC000033240831 564413213 /nfs/dbraw/zinc/41/32/13/564413213.db2.gz ITZUNTNEASGQLO-UHFFFAOYSA-N 0 3 392.668 3.159 40 0 GGABHN CCc1ccc([C@H](CNC(=O)c2nc(SC)ncc2Cl)N(C)C)cc1 ZINC000040068099 564425386 /nfs/dbraw/zinc/42/53/86/564425386.db2.gz ISAAILZIMDIJJK-HNNXBMFYSA-N 0 3 378.929 3.447 40 0 GGABHN CCN1CCc2ncnc(SCC(=O)Nc3ccc(Cl)cc3F)c2C1 ZINC000049401012 564551524 /nfs/dbraw/zinc/55/15/24/564551524.db2.gz HLPAQDLTBZZGEQ-UHFFFAOYSA-N 0 3 380.876 3.378 40 0 GGABHN COC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218486027 565899663 /nfs/dbraw/zinc/89/96/63/565899663.db2.gz GJCRAEQRDWZTAZ-GBESFXJTSA-N 0 3 379.909 3.180 40 0 GGABHN CCOC[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218515282 565899733 /nfs/dbraw/zinc/89/97/33/565899733.db2.gz DVBIBJWYSPYWCO-QYZOEREBSA-N 0 3 379.909 3.261 40 0 GGABHN COC[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218636880 565900921 /nfs/dbraw/zinc/90/09/21/565900921.db2.gz KHSLPZBXVIELKS-FGTMMUONSA-N 0 3 383.872 3.010 40 0 GGABHN Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCN([C@H]2CCSC2)CC1 ZINC000225573042 565915236 /nfs/dbraw/zinc/91/52/36/565915236.db2.gz JSXXFPNQHGXDEM-INIZCTEOSA-N 0 3 388.986 3.144 40 0 GGABHN COC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242495539 565984025 /nfs/dbraw/zinc/98/40/25/565984025.db2.gz GJCRAEQRDWZTAZ-IPMKNSEASA-N 0 3 379.909 3.180 40 0 GGABHN Cc1nc(COC[C@@H]2CCN(C)C3(CN(Cc4nccs4)C3)C2)cs1 ZINC000248139040 566073090 /nfs/dbraw/zinc/07/30/90/566073090.db2.gz PREPXPYGWZCUID-OAHLLOKOSA-N 0 3 378.567 3.021 40 0 GGABHN CN(C(=O)c1nccc2ccccc21)[C@@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC000019745593 570213558 /nfs/dbraw/zinc/21/35/58/570213558.db2.gz RQTZOZUGYVHQHI-LJQANCHMSA-N 0 3 377.492 3.095 40 0 GGABHN CN(C)[C@H]1CCN(C(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)C1 ZINC000096147654 570214067 /nfs/dbraw/zinc/21/40/67/570214067.db2.gz IORLZIYWQPNLHO-IBGZPJMESA-N 0 3 393.466 3.064 40 0 GGABHN Cc1c(CN2CCC[C@H](N(C)C(=O)c3nccc4ccccc43)CC2)cnn1C ZINC000019749659 570215107 /nfs/dbraw/zinc/21/51/07/570215107.db2.gz KJQLUXHITKPRRZ-FQEVSTJZSA-N 0 3 391.519 3.403 40 0 GGABHN O=C(CC1N=C(Nc2nc(-c3ccccc3)cs2)NC1=O)Nc1ccccc1 ZINC000019819623 570222570 /nfs/dbraw/zinc/22/25/70/570222570.db2.gz OHEUFXUTIKKFDQ-OAHLLOKOSA-N 0 3 391.456 3.105 40 0 GGABHN Cc1ccc(CN2Cc3ccccc3C3(CCN(CC(=O)N(C)C)CC3)C2)cc1 ZINC000096242426 570222671 /nfs/dbraw/zinc/22/26/71/570222671.db2.gz XWQONOQOZIUZSX-UHFFFAOYSA-N 0 3 391.559 3.433 40 0 GGABHN Cc1ccc(CN2Cc3ccccc3C3(CCN(CC(=O)N(C)C)CC3)C2)s1 ZINC000096242423 570222743 /nfs/dbraw/zinc/22/27/43/570222743.db2.gz LQQVYOYBZJWLBP-UHFFFAOYSA-N 0 3 397.588 3.494 40 0 GGABHN Cn1cc(CN2CCC3(CC2)CN(Cc2cccnc2)Cc2ccccc23)cn1 ZINC000096242577 570223175 /nfs/dbraw/zinc/22/31/75/570223175.db2.gz DKJLJOZFUIDXFL-UHFFFAOYSA-N 0 3 387.531 3.365 40 0 GGABHN CN(C)C(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096260570 570225779 /nfs/dbraw/zinc/22/57/79/570225779.db2.gz FHVDFEWVUHGWSM-UHFFFAOYSA-N 0 3 396.510 3.345 40 0 GGABHN CCC1=N[C@@]2(CC[C@@H]3CN(Cc4cccc(Cl)c4)C[C@@H]32)C(=O)N1CCOC ZINC000096261665 570225988 /nfs/dbraw/zinc/22/59/88/570225988.db2.gz RESTXQNBJIKSRS-PLMTUMEDSA-N 0 3 389.927 3.218 40 0 GGABHN Cc1ccc(NC(=O)c2ccc3ccc(N4CCN(C(C)C)CC4)n3c2)cn1 ZINC000096267413 570227651 /nfs/dbraw/zinc/22/76/51/570227651.db2.gz NQXUSWMMHIEZQC-UHFFFAOYSA-N 0 3 377.492 3.425 40 0 GGABHN COc1ccc(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1OC ZINC000096625627 570231652 /nfs/dbraw/zinc/23/16/52/570231652.db2.gz FLCKUEFAWJVNMN-UHFFFAOYSA-N 0 3 386.467 3.371 40 0 GGABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccnc4)[C@@H]3C2=O)c1 ZINC000005118919 570234773 /nfs/dbraw/zinc/23/47/73/570234773.db2.gz MEXIFCKJJODSBW-HBMCJLEFSA-N 0 3 385.423 3.441 40 0 GGABHN CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OCCF)cc1 ZINC000585269601 570237377 /nfs/dbraw/zinc/23/73/77/570237377.db2.gz AVOPRGKRNGIAQE-GOSISDBHSA-N 0 3 377.456 3.305 40 0 GGABHN CN(Cc1ccccc1)C(=O)C[C@@]1(COc2ccc(Cl)cc2)CNCCO1 ZINC000585272656 570242386 /nfs/dbraw/zinc/24/23/86/570242386.db2.gz PBGZTQGFYGQORW-NRFANRHFSA-N 0 3 388.895 3.126 40 0 GGABHN CC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280912 570249343 /nfs/dbraw/zinc/24/93/43/570249343.db2.gz CKNSBQWULZUHHZ-QHCPKHFHSA-N 0 3 388.552 3.238 40 0 GGABHN C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c([O-])occ(CN3CCSCC3)c1=O)C2 ZINC000101363127 570249714 /nfs/dbraw/zinc/24/97/14/570249714.db2.gz JXBIULDEWRYAKA-KKSFZXQISA-N 0 3 392.565 3.295 40 0 GGABHN C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])occ(CN3CCSCC3)c1=O)C2 ZINC000101363127 570249717 /nfs/dbraw/zinc/24/97/17/570249717.db2.gz JXBIULDEWRYAKA-KKSFZXQISA-N 0 3 392.565 3.295 40 0 GGABHN CC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585283043 570251483 /nfs/dbraw/zinc/25/14/83/570251483.db2.gz OXYJFRWCKYWSJZ-QFIPXVFZSA-N 0 3 392.515 3.069 40 0 GGABHN COc1cccc(OC[C@H](O)CNCc2cc3c(C)ccc(C)c3[nH]c2=O)c1 ZINC000585285836 570255206 /nfs/dbraw/zinc/25/52/06/570255206.db2.gz UJGSMRTZFNWVPJ-QGZVFWFLSA-N 0 3 382.460 3.095 40 0 GGABHN OCCN(Cc1ccccc1)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289773 570257733 /nfs/dbraw/zinc/25/77/33/570257733.db2.gz NMYVNKJWZZNNFG-PWRODBHTSA-N 0 3 375.896 3.495 40 0 GGABHN Cc1cc(C)nc(Nc2cc(C3CCN(C(=O)/C=C/CN(C)C)CC3)ccn2)n1 ZINC000585291367 570259806 /nfs/dbraw/zinc/25/98/06/570259806.db2.gz BOAMYEUOKYYQMI-AATRIKPKSA-N 0 3 394.523 3.056 40 0 GGABHN COc1ccc(OC[C@@H](O)CN(CCO)Cc2ccccc2)c(C(C)(C)C)c1 ZINC000006306043 570262948 /nfs/dbraw/zinc/26/29/48/570262948.db2.gz GEGKZCJNVVWLRK-IBGZPJMESA-N 0 3 387.520 3.227 40 0 GGABHN Cc1nn(CC(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)N(C)C)CC2)c(C)c1C ZINC000100750246 570276546 /nfs/dbraw/zinc/27/65/46/570276546.db2.gz PCYIMNLLQHYWRN-MZKRTTBSSA-N 0 3 397.567 3.429 40 0 GGABHN Cc1ccc(CNCCN(Cc2cccc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575420069 570307350 /nfs/dbraw/zinc/30/73/50/570307350.db2.gz FFYLEAGOSDHWFU-JOCHJYFZSA-N 0 3 386.561 3.082 40 0 GGABHN Fc1ccc(CN2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000107248511 570308912 /nfs/dbraw/zinc/30/89/12/570308912.db2.gz AHGUMKRQOWCVCL-JOCHJYFZSA-N 0 3 376.435 3.352 40 0 GGABHN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216312 570317465 /nfs/dbraw/zinc/31/74/65/570317465.db2.gz USPLWDIVUPWUDF-HXUWFJFHSA-N 0 3 380.492 3.355 40 0 GGABHN Cc1cc([C@H](N)c2ccccc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072222621 570318534 /nfs/dbraw/zinc/31/85/34/570318534.db2.gz RPRXRLUSMBHWQH-LJQANCHMSA-N 0 3 382.508 3.495 40 0 GGABHN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNC[C@H]3CCCO3)cc12 ZINC000026521498 570340818 /nfs/dbraw/zinc/34/08/18/570340818.db2.gz VVWBFQPRPWKRKE-QGZVFWFLSA-N 0 3 380.492 3.280 40 0 GGABHN O=C(N1CCCSC[C@@H]1CN1CCCC1)C1(c2ccccc2)CCOCC1 ZINC000090609019 570384648 /nfs/dbraw/zinc/38/46/48/570384648.db2.gz PNWKFRMDFKOZGW-FQEVSTJZSA-N 0 3 388.577 3.165 40 0 GGABHN CC1CCC(N2CCN(Cc3nc(-c4cccnc4Cl)no3)CC2)CC1 ZINC000023247796 570392403 /nfs/dbraw/zinc/39/24/03/570392403.db2.gz MFAJBXRYYAALEI-UHFFFAOYSA-N 0 3 375.904 3.481 40 0 GGABHN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000025527762 570415276 /nfs/dbraw/zinc/41/52/76/570415276.db2.gz YYFLGAQMABYUER-SFHVURJKSA-N 0 3 389.499 3.282 40 0 GGABHN CC(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCN(C)C)cc1 ZINC000033775269 570417253 /nfs/dbraw/zinc/41/72/53/570417253.db2.gz GOYFGFLJLCKKJR-LTGZKZEYSA-N 0 3 379.504 3.259 40 0 GGABHN CN1[C@H](c2ccccc2)NC(=O)C12CCN(CCCC(=O)c1ccccc1)CC2 ZINC000005046376 570425901 /nfs/dbraw/zinc/42/59/01/570425901.db2.gz BRESVUOBHRLSOB-JOCHJYFZSA-N 0 3 391.515 3.245 40 0 GGABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1 ZINC000039773580 570446614 /nfs/dbraw/zinc/44/66/14/570446614.db2.gz BURYDJDDXREFCB-UHFFFAOYSA-N 0 3 392.503 3.036 40 0 GGABHN COc1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)c(OC)c1OC ZINC000039745246 570446968 /nfs/dbraw/zinc/44/69/68/570446968.db2.gz FLCNRVYASHFAMZ-UHFFFAOYSA-N 0 3 398.503 3.241 40 0 GGABHN O=C(NCCCN1CCc2ccccc21)C1CCN(Cc2ccccc2)CC1 ZINC000039755105 570448011 /nfs/dbraw/zinc/44/80/11/570448011.db2.gz DQSGAQSRFBVFBU-UHFFFAOYSA-N 0 3 377.532 3.468 40 0 GGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 ZINC000223261976 570454249 /nfs/dbraw/zinc/45/42/49/570454249.db2.gz BCAFAHZFWQBJJR-UXHICEINSA-N 0 3 395.532 3.059 40 0 GGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 ZINC000223276896 570455231 /nfs/dbraw/zinc/45/52/31/570455231.db2.gz CJOLPAWEDBGIJF-RTWAWAEBSA-N 0 3 391.544 3.406 40 0 GGABHN O=C1C[C@H]2COc3ccc(OCCN4CCCC4)cc3C2=NN1c1ccccc1 ZINC000005759287 570455879 /nfs/dbraw/zinc/45/58/79/570455879.db2.gz DMPYBIQNHYDFHI-KRWDZBQOSA-N 0 3 391.471 3.311 40 0 GGABHN CC(C)C[C@H](c1nnnn1Cc1ccco1)N1CCN(C2CCCCC2)CC1 ZINC000035312059 570467101 /nfs/dbraw/zinc/46/71/01/570467101.db2.gz KAIMZLXDAYMXDI-HXUWFJFHSA-N 0 3 386.544 3.352 40 0 GGABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(F)c3)cc2)CC1 ZINC000006517676 570482779 /nfs/dbraw/zinc/48/27/79/570482779.db2.gz IFMGTIMPHZIPDX-UHFFFAOYSA-N 0 3 386.496 3.094 40 0 GGABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3C)cc2)CC1 ZINC000006517682 570482826 /nfs/dbraw/zinc/48/28/26/570482826.db2.gz GSXCIIMTNNOBEA-UHFFFAOYSA-N 0 3 382.533 3.264 40 0 GGABHN COc1ccc(CNCc2ccc(OCC(=O)NC(C)(C)C)c(OC)c2)cc1 ZINC000006882460 570498216 /nfs/dbraw/zinc/49/82/16/570498216.db2.gz AULWTTDCHRTXPC-UHFFFAOYSA-N 0 3 386.492 3.287 40 0 GGABHN COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000224519269 570516351 /nfs/dbraw/zinc/51/63/51/570516351.db2.gz GECLSFKNABIAKM-UHFFFAOYSA-N 0 3 394.924 3.423 40 0 GGABHN COc1ccccc1OCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000224552960 570518206 /nfs/dbraw/zinc/51/82/06/570518206.db2.gz UEROZVDRAMIUJI-UHFFFAOYSA-N 0 3 386.467 3.242 40 0 GGABHN CCc1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)ccc1OC ZINC000224801248 570531375 /nfs/dbraw/zinc/53/13/75/570531375.db2.gz YQNMAFZRKRXHKH-UHFFFAOYSA-N 0 3 388.533 3.332 40 0 GGABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000002265371 570543467 /nfs/dbraw/zinc/54/34/67/570543467.db2.gz JSTGERLJWPAZMN-NJYVYQBISA-N 0 3 385.423 3.441 40 0 GGABHN Cn1c2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2sc1=O ZINC000225055360 570545730 /nfs/dbraw/zinc/54/57/30/570545730.db2.gz FVVNDMSLXCAZBW-UHFFFAOYSA-N 0 3 381.501 3.451 40 0 GGABHN COc1cc2c(cc1OC)C(=O)[C@@H]([C@@H](O)C1CCN(Cc3ccccc3)CC1)C2 ZINC000034964950 570548730 /nfs/dbraw/zinc/54/87/30/570548730.db2.gz QKRVJLPAJNHQKT-OFNKIYASSA-N 0 3 395.499 3.332 40 0 in-vitro GGABHN O=c1cc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2cc3c(cc2o1)CCC3 ZINC000035120711 570549863 /nfs/dbraw/zinc/54/98/63/570549863.db2.gz ORMVGDXWHFURNS-HNAYVOBHSA-N 0 3 388.467 3.063 40 0 GGABHN Cc1nccn1Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000225298204 570562860 /nfs/dbraw/zinc/56/28/60/570562860.db2.gz IVNIZRQWFPHMDE-UHFFFAOYSA-N 0 3 388.515 3.418 40 0 GGABHN COc1ccc(OC)c([C@@H](O)CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000036743858 570569794 /nfs/dbraw/zinc/56/97/94/570569794.db2.gz KDLZQJVMWAZXRU-YWZLYKJASA-N 0 3 381.476 3.493 40 0 GGABHN COc1ccc(OC)c([C@H](O)CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000036743856 570569863 /nfs/dbraw/zinc/56/98/63/570569863.db2.gz KDLZQJVMWAZXRU-MGPUTAFESA-N 0 3 381.476 3.493 40 0 GGABHN COCCN1C(=O)C(CC(=O)Nc2ccc(C)c(C)c2)n2c3ccccc3nc21 ZINC000039963967 570594460 /nfs/dbraw/zinc/59/44/60/570594460.db2.gz JWONWBLROCZPHJ-IBGZPJMESA-N 0 3 392.459 3.216 40 0 GGABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000039964138 570594509 /nfs/dbraw/zinc/59/45/09/570594509.db2.gz YPVPNKLGQAGYSX-QGZVFWFLSA-N 0 3 382.370 3.393 40 0 GGABHN CC(=O)c1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 ZINC000039964102 570594743 /nfs/dbraw/zinc/59/47/43/570594743.db2.gz VKPYLXXOBMIXLQ-LJQANCHMSA-N 0 3 388.427 3.318 40 0 GGABHN CCN(Cc1nnc2n1c1ccccc1c(=O)n2C)C1C2CC3CC(C2)CC1C3 ZINC000040072417 570595967 /nfs/dbraw/zinc/59/59/67/570595967.db2.gz WJALJXNPZVKLPF-UHFFFAOYSA-N 0 3 391.519 3.228 40 0 GGABHN CN1CCC(Oc2ccc(CNC(=S)Nc3ccc4c(c3)OCO4)cc2)CC1 ZINC000225772414 570615976 /nfs/dbraw/zinc/61/59/76/570615976.db2.gz DTFJPHYMDFTQDU-UHFFFAOYSA-N 0 3 399.516 3.375 40 0 GGABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)NCC(C)C)c(=O)[nH]c2c1C ZINC000004133489 570618113 /nfs/dbraw/zinc/61/81/13/570618113.db2.gz OASAGHUYTJBHPJ-UHFFFAOYSA-N 0 3 388.581 3.039 40 0 GGABHN CCCCNC(=S)N(CCN(C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004133527 570618228 /nfs/dbraw/zinc/61/82/28/570618228.db2.gz VWFUISXZOLYBLM-UHFFFAOYSA-N 0 3 388.581 3.183 40 0 GGABHN COc1ccccc1OCCNC[C@@H](O)COCC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000006653225 570672204 /nfs/dbraw/zinc/67/22/04/570672204.db2.gz ZEJJOFIBBRLTQC-OTWHNJEPSA-N 0 3 375.509 3.034 40 0 GGABHN CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]21 ZINC000248074461 570720553 /nfs/dbraw/zinc/72/05/53/570720553.db2.gz BRJDUKLTBJHYQP-CWFSZBLJSA-N 0 3 392.496 3.340 40 0 GGABHN CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]21 ZINC000248074459 570720566 /nfs/dbraw/zinc/72/05/66/570720566.db2.gz BRJDUKLTBJHYQP-CDHQVMDDSA-N 0 3 392.496 3.340 40 0 GGABHN Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@H](N)C(C)C)CC[C@@H]3O[C@H]21 ZINC000257200270 570759799 /nfs/dbraw/zinc/75/97/99/570759799.db2.gz ACRNRCNSTRUFSA-LFERKSGWSA-N 0 3 386.536 3.444 40 0 GGABHN CCOc1ccccc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccccc23)C1=O ZINC000008215689 570765565 /nfs/dbraw/zinc/76/55/65/570765565.db2.gz PQIIQVOPSQWSIX-GOSISDBHSA-N 0 3 377.444 3.031 40 0 GGABHN Cc1ccsc1CN1CCC[C@@H](c2ccnc3c(C(=O)N(C)C)cnn32)C1 ZINC000257253807 570770613 /nfs/dbraw/zinc/77/06/13/570770613.db2.gz KAJALSVXLDNACM-OAHLLOKOSA-N 0 3 383.521 3.181 40 0 GGABHN Cc1cccc(CN2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000257261922 570771940 /nfs/dbraw/zinc/77/19/40/570771940.db2.gz LJIQSYGFWSIBGC-QZTJIDSGSA-N 0 3 396.535 3.347 40 0 GGABHN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc(CN3CCCCC3)cc2)[C@H]1O ZINC000257263052 570771946 /nfs/dbraw/zinc/77/19/46/570771946.db2.gz LODZBSSCQFSPRK-YPAWHYETSA-N 0 3 396.535 3.062 40 0 GGABHN Cc1cccc(CN2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000257261923 570772078 /nfs/dbraw/zinc/77/20/78/570772078.db2.gz LJIQSYGFWSIBGC-ROUUACIJSA-N 0 3 396.535 3.347 40 0 GGABHN CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cncnc1 ZINC000257280277 570774894 /nfs/dbraw/zinc/77/48/94/570774894.db2.gz OKHILUPOBBYRHF-HVJVJISESA-N 0 3 376.504 3.175 40 0 GGABHN Cc1cccc(CN2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)c1 ZINC000257280691 570774953 /nfs/dbraw/zinc/77/49/53/570774953.db2.gz OLYUGCGIDZIQIM-FQEVSTJZSA-N 0 3 380.536 3.458 40 0 GGABHN Cc1cncc([C@H]2CCCN(C(=O)C3(Cc4ccccc4)CCN(C)CC3)C2)n1 ZINC000257288355 570776580 /nfs/dbraw/zinc/77/65/80/570776580.db2.gz PTXIEZLPSCQDTJ-NRFANRHFSA-N 0 3 392.547 3.446 40 0 GGABHN C[C@@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000022025103 570777867 /nfs/dbraw/zinc/77/78/67/570777867.db2.gz AGMYPTNWJXRIAL-GOSISDBHSA-N 0 3 393.531 3.124 40 0 GGABHN CC(=O)Nc1cc(CCC2CCN(C(=O)CN3CCCCCC3)CC2)ccn1 ZINC000257301871 570778623 /nfs/dbraw/zinc/77/86/23/570778623.db2.gz SAHOZKJTXLXDSL-UHFFFAOYSA-N 0 3 386.540 3.087 40 0 GGABHN CN1CCC(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257306837 570778876 /nfs/dbraw/zinc/77/88/76/570778876.db2.gz SWFGMPBKACKWSJ-SFHVURJKSA-N 0 3 385.483 3.452 40 0 GGABHN COc1ccc(-c2cccc(CC3(C(=O)NCCN(C)C)CCOCC3)c2)cc1 ZINC000257314448 570780407 /nfs/dbraw/zinc/78/04/07/570780407.db2.gz UXAAQDXRLPCLPO-UHFFFAOYSA-N 0 3 396.531 3.379 40 0 GGABHN Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 ZINC000257318850 570780777 /nfs/dbraw/zinc/78/07/77/570780777.db2.gz VPQNSHLENTZOHD-SFHVURJKSA-N 0 3 396.535 3.476 40 0 GGABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cnccn1)[C@H]2Cc1ccccc1 ZINC000257333239 570783065 /nfs/dbraw/zinc/78/30/65/570783065.db2.gz YAUBOSXNBZGKMI-XANJAXJYSA-N 0 3 376.504 3.175 40 0 GGABHN CN1CCC(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)CC1 ZINC000257342968 570784509 /nfs/dbraw/zinc/78/45/09/570784509.db2.gz ZQUNUSXODCLANK-GOSISDBHSA-N 0 3 385.483 3.452 40 0 GGABHN CN1CCN(Cc2cnc3ccccc3n2)C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257340831 570784666 /nfs/dbraw/zinc/78/46/66/570784666.db2.gz ZHRMWRDPIAWGSE-GOSISDBHSA-N 0 3 398.514 3.179 40 0 GGABHN COCCc1ncc(CN2C[C@@H]3CCC[C@](O)(c4ccc(C)cc4)[C@H]3C2)cn1 ZINC000072340464 570880330 /nfs/dbraw/zinc/88/03/30/570880330.db2.gz XYJQAKXRIMJVLA-RRPUWOKSSA-N 0 3 381.520 3.094 40 0 GGABHN CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)c3cc(C4CC4)on3)CC2)nn1C ZINC000257245583 570893869 /nfs/dbraw/zinc/89/38/69/570893869.db2.gz IQFIOSBTZJVQMD-SHTZXODSSA-N 0 3 385.512 3.051 40 0 GGABHN CCCn1cc(S(=O)(=O)N2C[C@@H](N(C)CC)CC23CCCCC3)c(C)n1 ZINC000019703980 570897155 /nfs/dbraw/zinc/89/71/55/570897155.db2.gz LOLKXEKSGVBIRS-KRWDZBQOSA-N 0 3 382.574 3.019 40 0 GGABHN Cc1nn(CC(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)N(C)C)CC2)c(C)c1C ZINC000257284509 570902541 /nfs/dbraw/zinc/90/25/41/570902541.db2.gz PCYIMNLLQHYWRN-TXTKFYIRSA-N 0 3 397.567 3.429 40 0 GGABHN Cc1ccnn1CCC(=O)NC[C@H]1CC[C@H]([C@H](c2ccccn2)N(C)C)CC1 ZINC000257327861 570908333 /nfs/dbraw/zinc/90/83/33/570908333.db2.gz XDAWSJICQZEPLV-WOIUINJBSA-N 0 3 383.540 3.202 40 0 GGABHN Cc1noc(C)c1CN1CCC[C@]2(CCCN2C(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000585100043 570923822 /nfs/dbraw/zinc/92/38/22/570923822.db2.gz DBSAFXSAXYTWOW-MDKPJZGXSA-N 0 3 375.513 3.064 40 0 GGABHN Cc1noc(C)c1CN1CCC[C@@]2(CCCN2C(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000585100042 570924312 /nfs/dbraw/zinc/92/43/12/570924312.db2.gz DBSAFXSAXYTWOW-DJPFJPOOSA-N 0 3 375.513 3.064 40 0 GGABHN Cc1nnsc1C(=O)N1CCC[C@@]12CCCN(Cc1c(C)noc1C)CC2 ZINC000585100448 570924570 /nfs/dbraw/zinc/92/45/70/570924570.db2.gz KQJYERMLZWRJJY-LJQANCHMSA-N 0 3 389.525 3.112 40 0 GGABHN CN(C)C(=O)CN1CCC[C@@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2 ZINC000585100627 570924805 /nfs/dbraw/zinc/92/48/05/570924805.db2.gz QPJFCFHPDCCDER-HXUWFJFHSA-N 0 3 395.906 3.028 40 0 GGABHN Cc1c(CN2CCC[C@@]3(CCC(=O)N3C[C@H]3CCCO3)CC2)nc2ccccn12 ZINC000585099847 570925808 /nfs/dbraw/zinc/92/58/08/570925808.db2.gz IMJAENNKHWJFGO-AUSIDOKSSA-N 0 3 396.535 3.169 40 0 GGABHN Cc1nc(C)c(CN2CCC[C@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)s1 ZINC000585099868 570926472 /nfs/dbraw/zinc/92/64/72/570926472.db2.gz NADIZGMIJNNFFP-PXNSSMCTSA-N 0 3 377.554 3.286 40 0 GGABHN CCC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000019499709 570926738 /nfs/dbraw/zinc/92/67/38/570926738.db2.gz RICIYDPAFRUQID-FQEVSTJZSA-N 0 3 382.556 3.468 40 0 GGABHN COc1ccc(C(=O)N[C@@H](C)CCN2CCN(c3ccccc3)CC2)cc1F ZINC000032915990 570926983 /nfs/dbraw/zinc/92/69/83/570926983.db2.gz SEWMEQBAEHSZQB-KRWDZBQOSA-N 0 3 385.483 3.165 40 0 GGABHN COCCN1CC[C@@]12CCCN(C(=O)c1ccc(N(C)C)c3ccccc13)C2 ZINC000585101949 570927477 /nfs/dbraw/zinc/92/74/77/570927477.db2.gz NCFARGVCDNVBRR-HSZRJFAPSA-N 0 3 381.520 3.233 40 0 GGABHN CCOC[C@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218586460 570930334 /nfs/dbraw/zinc/93/03/34/570930334.db2.gz JWMXIIRJSKXPSF-SLFFLAALSA-N 0 3 377.481 3.055 40 0 GGABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@@H](C)C4)C3)CC2)c1 ZINC000585103043 570931718 /nfs/dbraw/zinc/93/17/18/570931718.db2.gz BQXLQJOMVTYREW-MOPGFXCFSA-N 0 3 386.536 3.444 40 0 GGABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@@H](C)C4)C3)CC2)c1 ZINC000585103043 570931719 /nfs/dbraw/zinc/93/17/19/570931719.db2.gz BQXLQJOMVTYREW-MOPGFXCFSA-N 0 3 386.536 3.444 40 0 GGABHN Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCCN([C@H](C)c1ccccc1)C2 ZINC000585104402 570933085 /nfs/dbraw/zinc/93/30/85/570933085.db2.gz LVKXYRWVRLCEEL-VGSWGCGISA-N 0 3 383.492 3.104 40 0 GGABHN Cc1ccc(C)c(CN2CCOC[C@]3(CC(=O)N(Cc4cncs4)C3)C2)c1 ZINC000585104560 570933762 /nfs/dbraw/zinc/93/37/62/570933762.db2.gz QETYGXPWCLLTKD-OAQYLSRUSA-N 0 3 385.533 3.011 40 0 GGABHN Cc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)s1 ZINC000306125910 570936880 /nfs/dbraw/zinc/93/68/80/570936880.db2.gz DFIXBSHSCKGPJO-IFMALSPDSA-N 0 3 397.544 3.059 40 0 GGABHN CC(C)N1CCN(c2cnc3ccc(C(=O)N4CCCC[C@H]4C)cc3n2)CC1 ZINC000306126088 570936941 /nfs/dbraw/zinc/93/69/41/570936941.db2.gz DMAPZBYYYAJBHZ-QGZVFWFLSA-N 0 3 381.524 3.175 40 0 GGABHN COc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccncc4)C2)OC3)cc1 ZINC000306127110 570937372 /nfs/dbraw/zinc/93/73/72/570937372.db2.gz FOPXSNKLGHAXFF-QFIPXVFZSA-N 0 3 376.460 3.129 40 0 GGABHN O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000585109535 570937600 /nfs/dbraw/zinc/93/76/00/570937600.db2.gz AYMVZWWRFZSVLW-WPFOTENUSA-N 0 3 391.515 3.285 40 0 GGABHN Cc1ccsc1CN1CCN(C2=NO[C@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000306130938 570939340 /nfs/dbraw/zinc/93/93/40/570939340.db2.gz JSXAJCKQUBLNDB-PMACEKPBSA-N 0 3 396.560 3.018 40 0 GGABHN CN1CC2(CCN(Cc3cccs3)CC2)c2nc(C(C)(C)C)ncc2C1=O ZINC000306132345 570940554 /nfs/dbraw/zinc/94/05/54/570940554.db2.gz LGDOTFQUWQWULA-UHFFFAOYSA-N 0 3 384.549 3.455 40 0 GGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccccn3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306135493 570942020 /nfs/dbraw/zinc/94/20/20/570942020.db2.gz OSRMFUITWKGIJI-REWPJTCUSA-N 0 3 393.535 3.087 40 0 GGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccoc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306137318 570943091 /nfs/dbraw/zinc/94/30/91/570943091.db2.gz QSPFZTCTYCSCOY-SIKLNZKXSA-N 0 3 382.508 3.285 40 0 GGABHN CC(C)CN1CCO[C@@]2(CCCC[C@@H]2NC(=O)C2=NO[C@H](c3ccccc3)C2)C1 ZINC000306139094 570943707 /nfs/dbraw/zinc/94/37/07/570943707.db2.gz SPFOGQUHCDVFME-FUDKSRODSA-N 0 3 399.535 3.290 40 0 GGABHN Cc1ncsc1CN1CC[C@]2(C1)CN(Cc1cccnc1)c1cccnc12 ZINC000306139293 570944341 /nfs/dbraw/zinc/94/43/41/570944341.db2.gz SUBZZNZMQCCMGA-NRFANRHFSA-N 0 3 377.517 3.405 40 0 GGABHN CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3ccco3)CC2)C1 ZINC000306142244 570945827 /nfs/dbraw/zinc/94/58/27/570945827.db2.gz WUMZOEHFXHGATH-UHFFFAOYSA-N 0 3 381.455 3.114 40 0 GGABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@H]1C2 ZINC000306142379 570945868 /nfs/dbraw/zinc/94/58/68/570945868.db2.gz WYCGDOUCNOMSHO-CABCVRRESA-N 0 3 397.479 3.035 40 0 GGABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@H]1C2 ZINC000306142381 570946019 /nfs/dbraw/zinc/94/60/19/570946019.db2.gz WYCGDOUCNOMSHO-HUUCEWRRSA-N 0 3 397.479 3.035 40 0 GGABHN CC(C)n1cnc([C@H]2CN(Cc3ccncc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306143467 570946219 /nfs/dbraw/zinc/94/62/19/570946219.db2.gz YCZUELUXYWMNCB-NFBKMPQASA-N 0 3 393.535 3.087 40 0 GGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccncc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306143470 570946301 /nfs/dbraw/zinc/94/63/01/570946301.db2.gz YCZUELUXYWMNCB-REWPJTCUSA-N 0 3 393.535 3.087 40 0 GGABHN COc1ccc(CN2CCN(CC3(c4ccc(C)cc4)CC3)CC2)cc1CO ZINC000019208414 570960121 /nfs/dbraw/zinc/96/01/21/570960121.db2.gz CVBPVZMTJODBLZ-UHFFFAOYSA-N 0 3 380.532 3.345 40 0 GGABHN Cc1cccc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)c1 ZINC000019235042 570965398 /nfs/dbraw/zinc/96/53/98/570965398.db2.gz UMIJZPNHHYJXJH-QFIPXVFZSA-N 0 3 376.504 3.132 40 0 GGABHN COc1c(C)cccc1CN1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019235961 570966014 /nfs/dbraw/zinc/96/60/14/570966014.db2.gz DVWAANPTDJSYKB-BHYGNILZSA-N 0 3 391.466 3.498 40 0 GGABHN COc1ccc(CN2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCCC(=O)N3)cc1 ZINC000019236384 570966577 /nfs/dbraw/zinc/96/65/77/570966577.db2.gz SVUBJDGSJPMROS-NZQKXSOJSA-N 0 3 379.504 3.427 40 0 GGABHN COCCOc1cccc(CN2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)c1 ZINC000019237872 570967390 /nfs/dbraw/zinc/96/73/90/570967390.db2.gz IWCLMKXHRUZDCL-UNWVZKJWSA-N 0 3 382.504 3.145 40 0 GGABHN Cn1c(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)cc2cc(Cl)ccc21 ZINC000019289753 570971497 /nfs/dbraw/zinc/97/14/97/570971497.db2.gz VKHBXVNRRYCLOW-SFHVURJKSA-N 0 3 395.894 3.245 40 0 GGABHN Cn1cc(CN(CCCN2CCOCC2)Cc2cccnc2)c2ccccc21 ZINC000019290438 570971692 /nfs/dbraw/zinc/97/16/92/570971692.db2.gz QRCDGUYPVBWATB-UHFFFAOYSA-N 0 3 378.520 3.298 40 0 GGABHN O=C(c1csc2c1CCCC2)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292310 570972709 /nfs/dbraw/zinc/97/27/09/570972709.db2.gz JMQJYQCLUDHDFW-CQSZACIVSA-N 0 3 382.533 3.082 40 0 GGABHN O=C(N1CC[C@H](c2ncc3c(n2)CCNC3)C1)C1(c2ccc(F)cc2)CCCC1 ZINC000019332915 570975477 /nfs/dbraw/zinc/97/54/77/570975477.db2.gz VOFUSBOXPKVPQZ-INIZCTEOSA-N 0 3 394.494 3.089 40 0 GGABHN FC(F)(F)c1cccc(N2CCN(C3CCN(Cc4ccoc4)CC3)CC2)n1 ZINC000252500795 570977090 /nfs/dbraw/zinc/97/70/90/570977090.db2.gz TVLPUXVDOLSJNU-UHFFFAOYSA-N 0 3 394.441 3.480 40 0 GGABHN O=C(N[C@@H]1CCCOC1)c1cc(C2CCN(CCc3ccccc3)CC2)no1 ZINC000019371239 570981129 /nfs/dbraw/zinc/98/11/29/570981129.db2.gz ZEPKSUXGARQWAH-LJQANCHMSA-N 0 3 383.492 3.006 40 0 GGABHN O=C1CCCN1c1ccc(CN2CC[C@]3(C2)CCc2ccccc2C(=O)N3)cc1 ZINC000019375239 570981952 /nfs/dbraw/zinc/98/19/52/570981952.db2.gz NZKUPYGJFPBIMJ-DEOSSOPVSA-N 0 3 389.499 3.134 40 0 GGABHN O=C(CCc1nc2ccccc2s1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019376651 570982530 /nfs/dbraw/zinc/98/25/30/570982530.db2.gz VSVXGZJUJFSRQA-KRWDZBQOSA-N 0 3 393.516 3.028 40 0 GGABHN O=C1CC[C@@H](NCc2cccn2-c2ccccn2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019403571 570982799 /nfs/dbraw/zinc/98/27/99/570982799.db2.gz QNMPOGIVEVOZJB-NQIIRXRSSA-N 0 3 382.414 3.260 40 0 GGABHN CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccccc3)[n-]c2=O)C1 ZINC000019448349 570985071 /nfs/dbraw/zinc/98/50/71/570985071.db2.gz SUXAQBFTXASRER-FQEVSTJZSA-N 0 3 394.519 3.245 40 0 GGABHN CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccccc3)[n-]c2=O)C1 ZINC000019448349 570985073 /nfs/dbraw/zinc/98/50/73/570985073.db2.gz SUXAQBFTXASRER-FQEVSTJZSA-N 0 3 394.519 3.245 40 0 GGABHN CC(C)c1ccccc1OCC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019453375 570986192 /nfs/dbraw/zinc/98/61/92/570986192.db2.gz MHOPVPASRMACIK-FQEVSTJZSA-N 0 3 394.519 3.330 40 0 GGABHN CCn1cc(-c2cc(C(=O)N3CCN4CCC[C@H]4C3)c3ccccc3n2)cn1 ZINC000002809127 570989334 /nfs/dbraw/zinc/98/93/34/570989334.db2.gz GZPNMZRZDTZDOD-KRWDZBQOSA-N 0 3 375.476 3.038 40 0 GGABHN CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019499404 570991746 /nfs/dbraw/zinc/99/17/46/570991746.db2.gz UFQHEYFSDRQJJR-RBUKOAKNSA-N 0 3 398.482 3.125 40 0 GGABHN CCOc1ccccc1C(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019520090 570993677 /nfs/dbraw/zinc/99/36/77/570993677.db2.gz UNXCDBPNZCCAFQ-IBGZPJMESA-N 0 3 380.492 3.231 40 0 GGABHN CCCn1nc(C)c(C[NH+]2CCC(c3cc(=O)[n-]c(N4CCCC4)n3)CC2)c1C ZINC000019525842 570997395 /nfs/dbraw/zinc/99/73/95/570997395.db2.gz KIFOBSXMJKCHCA-UHFFFAOYSA-N 0 3 398.555 3.385 40 0 GGABHN CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1cc2c(cc1OC)OCO2 ZINC000019527156 570997825 /nfs/dbraw/zinc/99/78/25/570997825.db2.gz YOJZMQYDOVBCSR-IBGZPJMESA-N 0 3 383.492 3.305 40 0 GGABHN CCN1CCC[C@@H]1CNCc1nc(-c2ccc(-c3ccnc(C)n3)cc2)no1 ZINC000019527264 570998191 /nfs/dbraw/zinc/99/81/91/570998191.db2.gz MDPSKVFBDMGNIN-GOSISDBHSA-N 0 3 378.480 3.076 40 0 GGABHN CCOCc1cc(CN2CCc3nc(C(C)C)[nH]c(=O)c3CC2)ccc1OC ZINC000019531180 570998862 /nfs/dbraw/zinc/99/88/62/570998862.db2.gz ZHOAVMRINDBJBS-UHFFFAOYSA-N 0 3 385.508 3.039 40 0 GGABHN CCOc1ccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019533000 570999279 /nfs/dbraw/zinc/99/92/79/570999279.db2.gz ZIQABEZMVAWCLD-NRFANRHFSA-N 0 3 394.519 3.160 40 0 GGABHN Cc1ccc(OCCCN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C ZINC000025924921 570999846 /nfs/dbraw/zinc/99/98/46/570999846.db2.gz ZYZLMESTDZGZDF-QGZVFWFLSA-N 0 3 376.522 3.413 40 0 GGABHN CCOc1ccc(CCC(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019533131 570999897 /nfs/dbraw/zinc/99/98/97/570999897.db2.gz GQZQGUAIEYTBPX-NRFANRHFSA-N 0 3 394.519 3.160 40 0 GGABHN Cc1nn(CC(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)c(C)c1C ZINC000019556375 571003605 /nfs/dbraw/zinc/00/36/05/571003605.db2.gz YQGXQCBXBNNINK-UHFFFAOYSA-N 0 3 396.535 3.130 40 0 GGABHN CCN(CC)[C@@H](CNC(=O)CCCNC(=O)c1ccsc1)c1ccccc1 ZINC000012752617 571006245 /nfs/dbraw/zinc/00/62/45/571006245.db2.gz TYUBEKGRPUUUII-IBGZPJMESA-N 0 3 387.549 3.457 40 0 GGABHN COc1ccc2nc(CN3C[C@@H]4CC[C@@](O)(c5ccccn5)[C@@H]4C3)ccc2c1 ZINC000019563709 571006359 /nfs/dbraw/zinc/00/63/59/571006359.db2.gz YKXZBHQTIBSNOT-WGGBDISSSA-N 0 3 375.472 3.368 40 0 GGABHN Cc1cc2occ(CC(=O)N3CCc4nc([C@@H]5CCCN5)ncc4C3)c2c(C)c1 ZINC000019568462 571009095 /nfs/dbraw/zinc/00/90/95/571009095.db2.gz QDTMCLBBCFTGEE-IBGZPJMESA-N 0 3 390.487 3.392 40 0 GGABHN Cc1cc2occ(CC(=O)N3CCc4nc([C@H]5CCCN5)ncc4C3)c2c(C)c1 ZINC000019568464 571009105 /nfs/dbraw/zinc/00/91/05/571009105.db2.gz QDTMCLBBCFTGEE-LJQANCHMSA-N 0 3 390.487 3.392 40 0 GGABHN Cc1oc2c(c1C(=O)N1CCC[C@H](c3ncc4c(n3)CCN(C)C4)C1)CCCC2 ZINC000019581225 571012901 /nfs/dbraw/zinc/01/29/01/571012901.db2.gz QVTBRZIWZQZOAM-INIZCTEOSA-N 0 3 394.519 3.265 40 0 GGABHN Cc1oc2c(c1C(=O)N1CCc3nc([C@@H]4CCCN(C)C4)ncc3C1)CCCC2 ZINC000019581269 571013239 /nfs/dbraw/zinc/01/32/39/571013239.db2.gz UVVNRHKICYOCEB-MRXNPFEDSA-N 0 3 394.519 3.265 40 0 GGABHN COc1ccccc1CC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C ZINC000019589244 571016455 /nfs/dbraw/zinc/01/64/55/571016455.db2.gz ZHFVAPWVZZTGMJ-TXTKFYIRSA-N 0 3 382.479 3.466 40 0 GGABHN COCCOc1cccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019590340 571016890 /nfs/dbraw/zinc/01/68/90/571016890.db2.gz UOSPEUMGZRWXES-JOCHJYFZSA-N 0 3 396.535 3.217 40 0 GGABHN CN1CCc2nc([C@H]3CCCN(C(=O)c4cc5cc(F)ccc5[nH]4)C3)ncc2C1 ZINC000019590439 571017736 /nfs/dbraw/zinc/01/77/36/571017736.db2.gz JHARVZIFONIOCS-AWEZNQCLSA-N 0 3 393.466 3.105 40 0 GGABHN COc1ccc2oc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)cc2c1 ZINC000019590546 571017769 /nfs/dbraw/zinc/01/77/69/571017769.db2.gz BALADKLDQQAWHU-GOSISDBHSA-N 0 3 392.459 3.197 40 0 GGABHN CN1CCc2nc([C@H]3CCCN(C(=O)CCc4ccc(Cl)cc4)C3)ncc2C1 ZINC000019590389 571017998 /nfs/dbraw/zinc/01/79/98/571017998.db2.gz NBZYYYBFGOKVBT-KRWDZBQOSA-N 0 3 398.938 3.457 40 0 GGABHN CN1CCc2nc([C@@H]3CCCN3C(=O)c3csc4c3CCCC4)ncc2C1 ZINC000019590564 571018134 /nfs/dbraw/zinc/01/81/34/571018134.db2.gz AKCWLPFZAWDETJ-SFHVURJKSA-N 0 3 382.533 3.382 40 0 GGABHN CN1CCc2nc([C@H]3CCCN3C(=O)c3csc4c3CCCC4)ncc2C1 ZINC000019590565 571018153 /nfs/dbraw/zinc/01/81/53/571018153.db2.gz AKCWLPFZAWDETJ-GOSISDBHSA-N 0 3 382.533 3.382 40 0 GGABHN CN1CCc2nc(C3CCN(C(=O)c4cc5ccc(F)cc5[nH]4)CC3)ncc2C1 ZINC000019590690 571018709 /nfs/dbraw/zinc/01/87/09/571018709.db2.gz OFSCWLBIWKGEOT-UHFFFAOYSA-N 0 3 393.466 3.105 40 0 GGABHN CN1CCc2nc(C3CCN(C(=O)c4cc5c(s4)CCCC5)CC3)ncc2C1 ZINC000019590689 571018723 /nfs/dbraw/zinc/01/87/23/571018723.db2.gz LTFLPCJLACKNIN-UHFFFAOYSA-N 0 3 396.560 3.425 40 0 GGABHN CNc1ncc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCCN3C)cn1 ZINC000019592365 571019676 /nfs/dbraw/zinc/01/96/76/571019676.db2.gz HMOBPTRQAGMPDM-ZCNNSNEGSA-N 0 3 379.508 3.001 40 0 GGABHN COCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 ZINC000019592965 571019883 /nfs/dbraw/zinc/01/98/83/571019883.db2.gz HHWOEUQPFDIODN-VAMGGRTRSA-N 0 3 388.508 3.350 40 0 GGABHN Cc1nn(C)cc1-c1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCCC2)[nH]n1 ZINC000019665319 571027441 /nfs/dbraw/zinc/02/74/41/571027441.db2.gz YGRKIWXRRGFAEV-NRFANRHFSA-N 0 3 392.507 3.076 40 0 GGABHN CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000019693971 571029709 /nfs/dbraw/zinc/02/97/09/571029709.db2.gz GEQPNCXNYJNRFU-LJQANCHMSA-N 0 3 376.508 3.323 40 0 GGABHN CC(=O)N1CCC[C@H]1c1cc(N2CCN(CCc3ccccc3)CC2)cc(C)n1 ZINC000019698266 571030455 /nfs/dbraw/zinc/03/04/55/571030455.db2.gz KGPKQACOHFFDBR-DEOSSOPVSA-N 0 3 392.547 3.438 40 0 GGABHN Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000019698139 571030521 /nfs/dbraw/zinc/03/05/21/571030521.db2.gz KUROQAUGZWUPNZ-QHCPKHFHSA-N 0 3 392.547 3.438 40 0 GGABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)[C@@H]1CCC(C)=C(C)C1)CC2 ZINC000019711067 571035026 /nfs/dbraw/zinc/03/50/26/571035026.db2.gz XIQGWFCCKJGLGQ-GOSISDBHSA-N 0 3 397.567 3.349 40 0 GGABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)[C@H]1CCC(C)=C(C)C1)CC2 ZINC000019711068 571035097 /nfs/dbraw/zinc/03/50/97/571035097.db2.gz XIQGWFCCKJGLGQ-SFHVURJKSA-N 0 3 397.567 3.349 40 0 GGABHN CNc1nc(C2CCN(Cc3ccccc3C)CC2)nc2c1CN(C(C)=O)CC2 ZINC000019711132 571035193 /nfs/dbraw/zinc/03/51/93/571035193.db2.gz DCLFSMRIBYENOE-UHFFFAOYSA-N 0 3 393.535 3.111 40 0 GGABHN CC1CCN(S(=O)(=O)N[C@@H](CCN2CCCCC2)c2ccccc2)CC1 ZINC000019715951 571037682 /nfs/dbraw/zinc/03/76/82/571037682.db2.gz CCTQKYPJXIQXNG-FQEVSTJZSA-N 0 3 379.570 3.170 40 0 GGABHN Cc1nn(C)cc1-c1cc(C(=O)N[C@@H](C)CN2CCCC2)c2ccccc2n1 ZINC000019716523 571038164 /nfs/dbraw/zinc/03/81/64/571038164.db2.gz JWPYTDUDZKSPQD-HNNXBMFYSA-N 0 3 377.492 3.158 40 0 GGABHN CCn1nc(C(=O)Nc2ccccc2CN2CCCC2)c2ccccc2c1=O ZINC000019716964 571039201 /nfs/dbraw/zinc/03/92/01/571039201.db2.gz DESCEFWYMCFXLJ-UHFFFAOYSA-N 0 3 376.460 3.265 40 0 GGABHN CCn1cc(-c2cc(NC[C@@H](c3ccc(F)cc3)N3CCCC3)nc(N)n2)cn1 ZINC000019718045 571041313 /nfs/dbraw/zinc/04/13/13/571041313.db2.gz ASAHZCFEYDPLJQ-IBGZPJMESA-N 0 3 395.486 3.330 40 0 GGABHN O=C(Nc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298358 1398821496 /nfs/dbraw/zinc/82/14/96/1398821496.db2.gz BJNYRTYNCDMDLK-TYPHKJRUSA-N 0 3 387.487 3.294 40 0 biogenic,in-vitro GGABHN CC(C)Cc1cc(C(=O)N(CCc2ccccc2)C2CCN(C)CC2)n(C)n1 ZINC000019447437 1399330877 /nfs/dbraw/zinc/33/08/77/1399330877.db2.gz SGJDDIIUGARONG-UHFFFAOYSA-N 0 3 382.552 3.398 40 0 GGABHN C[C@@H]1Cc2cc([C@H](O)CN3CCC4(CC3)C[C@@H](O)c3ccccc3O4)ccc2O1 ZINC000019498021 1399330889 /nfs/dbraw/zinc/33/08/89/1399330889.db2.gz OEMDTLAFIUTIED-MAODMQOUSA-N 0 3 395.499 3.394 40 0 GGABHN CNc1ncccc1CN1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712848 1399336624 /nfs/dbraw/zinc/33/66/24/1399336624.db2.gz KLTJZZAVYKTTDF-ZVDOUQERSA-N 0 3 382.483 3.289 40 0 GGABHN COc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccc3c(c2)OCO3)c1 ZINC000027698430 1400078698 /nfs/dbraw/zinc/07/86/98/1400078698.db2.gz WSICZVRNVGXDJL-YQQQUEKLSA-N 0 3 394.471 3.349 40 0 GGABHN COc1cc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc(OC)c1OC ZINC000060510080 1407993872 /nfs/dbraw/zinc/99/38/72/1407993872.db2.gz RZQFFVUCOQHHBQ-PKOBYXMFSA-N 0 3 396.487 3.469 40 0 GGABHN CCOc1ccc([C@@H](N)c2n[nH]c(COc3ccc(OC)cc3)n2)cc1OCC ZINC000095534547 1410315507 /nfs/dbraw/zinc/31/55/07/1410315507.db2.gz HRTMIIGEWFDKGP-HXUWFJFHSA-N 0 3 398.463 3.238 40 0 GGABHN CCOc1ccc([C@@H](N)c2n[nH]c(COc3ccc(F)cc3)n2)cc1OCC ZINC000095534549 1410315535 /nfs/dbraw/zinc/31/55/35/1410315535.db2.gz JWHAKASDYRKQDX-LJQANCHMSA-N 0 3 386.427 3.368 40 0 GGABHN CCOc1ccc([C@@H](N)c2nc(CNc3ccc(OC)cc3)n[nH]2)cc1OCC ZINC000095534543 1410315551 /nfs/dbraw/zinc/31/55/51/1410315551.db2.gz CMQXKUURAHUFSS-HXUWFJFHSA-N 0 3 397.479 3.271 40 0 GGABHN COc1ccc(C2(C(=O)N3Cc4cc(C)ccc4OC[C@@H]3CN(C)C)CC2)cc1 ZINC000100738665 1410439080 /nfs/dbraw/zinc/43/90/80/1410439080.db2.gz OXILLFMVBNRNPR-FQEVSTJZSA-N 0 3 394.515 3.387 40 0 GGABHN O=C(NCCc1c[nH]c2ccccc12)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000105931402 1411130584 /nfs/dbraw/zinc/13/05/84/1411130584.db2.gz YCDHJZDOMIYEQY-UHFFFAOYSA-N 0 3 377.488 3.444 40 0 GGABHN COc1ccc(CN2CCC(C(=O)N[C@H](C)CCCC(C)(C)O)CC2)cc1 ZINC000199423661 1433352725 /nfs/dbraw/zinc/35/27/25/1433352725.db2.gz JWTAMLZPELXDRQ-QGZVFWFLSA-N 0 3 376.541 3.353 40 0 GGABHN COc1ccc(CN2CCC(C(=O)N[C@@H](C)CCCC(C)(C)O)CC2)cc1 ZINC000199423646 1433352847 /nfs/dbraw/zinc/35/28/47/1433352847.db2.gz JWTAMLZPELXDRQ-KRWDZBQOSA-N 0 3 376.541 3.353 40 0 GGABHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccnc(O[C@H]2CCSC2)c1 ZINC000225721985 1433367913 /nfs/dbraw/zinc/36/79/13/1433367913.db2.gz HJGSLZNVVQBCPC-FQEVSTJZSA-N 0 3 397.544 3.360 40 0 GGABHN CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C[C@H](C)c2ccccc2)C3)C1 ZINC000247913776 1433756227 /nfs/dbraw/zinc/75/62/27/1433756227.db2.gz FHQIMSAPJSSYKM-PXNSSMCTSA-N 0 3 378.520 3.364 40 0 GGABHN CC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C[C@@H](C)c2ccccc2)C3)C1 ZINC000247913779 1433756281 /nfs/dbraw/zinc/75/62/81/1433756281.db2.gz FHQIMSAPJSSYKM-XLIONFOSSA-N 0 3 378.520 3.364 40 0 GGABHN Cc1nc2c(c(N3CCN4CCCC[C@H]4C3)n1)CCN(Cc1ccccc1)C2 ZINC000247979587 1433760768 /nfs/dbraw/zinc/76/07/68/1433760768.db2.gz WRGAWXOSVNTDKQ-FQEVSTJZSA-N 0 3 377.536 3.018 40 0 GGABHN CN(C)C(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1 ZINC000008297574 291126966 /nfs/dbraw/zinc/12/69/66/291126966.db2.gz FSMDBJRXKGKBBO-SXLOBPIMSA-N 0 3 395.551 3.041 40 0 biogenic,in-vitro GGABHN O=C1CC[C@@](c2ccccc2)(C2CCN(Cc3ccc(F)cc3)CC2)C(=O)N1 ZINC000003644186 204016465 /nfs/dbraw/zinc/01/64/65/204016465.db2.gz VTMACVBTDNAUST-HSZRJFAPSA-N 0 3 380.463 3.412 40 0 GGABHN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(N2CCCCC2)CC1 ZINC000035311647 204167355 /nfs/dbraw/zinc/16/73/55/204167355.db2.gz ILXZHKAADVFIKX-UHFFFAOYSA-N 0 3 376.444 3.344 40 0 GGABHN O=C1c2cccc3c(N4CCNCC4)ccc(c23)C(=O)N1c1ccc(Cl)cn1 ZINC000005583029 204141227 /nfs/dbraw/zinc/14/12/27/204141227.db2.gz SQIAEUIVYZDOJL-UHFFFAOYSA-N 0 3 392.846 3.098 40 0 GGABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000006517670 204182837 /nfs/dbraw/zinc/18/28/37/204182837.db2.gz AJIBWBKZAYIFMF-UHFFFAOYSA-N 0 3 386.496 3.094 40 0 GGABHN COc1ccc(CN[C@H]2C[C@@H](c3nc(-c4ccc(OC)cc4)no3)N(C)C2)cc1 ZINC000035424534 204191422 /nfs/dbraw/zinc/19/14/22/204191422.db2.gz NMAAXQKYSJPTQE-PXNSSMCTSA-N 0 3 394.475 3.289 40 0 biogenic,in-vitro GGABHN COc1ccc(-c2noc([C@@H]3C[C@H](NCc4ccc(F)cc4)CN3C)n2)cc1 ZINC000035424501 204191432 /nfs/dbraw/zinc/19/14/32/204191432.db2.gz DBVNOAYQYNKLPR-HKUYNNGSSA-N 0 3 382.439 3.419 40 0 biogenic,in-vitro GGABHN CCOc1c(Br)cc(Br)cc1CN[C@@H](CC)CO ZINC000008326303 204272178 /nfs/dbraw/zinc/27/21/78/204272178.db2.gz KHVKYWGQACORIB-NSHDSACASA-N 0 3 381.108 3.471 40 0 GGABHN COc1c(Br)cc(Br)cc1CNC[C@H]1CCCO1 ZINC000008469523 204276789 /nfs/dbraw/zinc/27/67/89/204276789.db2.gz CVKWOQPNUAXNKL-LLVKDONJSA-N 0 3 379.092 3.489 40 0 GGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000010544206 204336379 /nfs/dbraw/zinc/33/63/79/204336379.db2.gz ZMSZIRISKUOOBT-OAHLLOKOSA-N 0 3 389.359 3.382 40 0 GGABHN CCCOc1c(CN2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cccc1OC ZINC000012117028 204372872 /nfs/dbraw/zinc/37/28/72/204372872.db2.gz RHUUZUFTTGXZDJ-VSOVRNOCSA-N 0 3 385.508 3.232 40 0 GGABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCO2 ZINC000012329320 204399579 /nfs/dbraw/zinc/39/95/79/204399579.db2.gz QEDMVXOTLSBWFV-PMACEKPBSA-N 0 3 399.462 3.145 40 0 GGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1OC ZINC000012329652 204399664 /nfs/dbraw/zinc/39/96/64/204399664.db2.gz UWWRGVFMAIMQML-RBUKOAKNSA-N 0 3 399.487 3.088 40 0 GGABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1c(C)nc(-c2ccccc2)nc1OC ZINC000012363009 204399952 /nfs/dbraw/zinc/39/99/52/204399952.db2.gz KDPJRIZTEIZJIA-LJQANCHMSA-N 0 3 396.535 3.384 40 0 GGABHN COc1ccccc1CN1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000012182111 204378834 /nfs/dbraw/zinc/37/88/34/204378834.db2.gz SGYAEKOQSURYHA-UKPHBRMFSA-N 0 3 395.429 3.487 40 0 GGABHN CC(=O)NC1(c2ccccc2)CCN(C[C@@H](O)c2ccc3c(c2)CCC3)CC1 ZINC000012188465 204379476 /nfs/dbraw/zinc/37/94/76/204379476.db2.gz MSZXJUMYDAVDQE-HSZRJFAPSA-N 0 3 378.516 3.336 40 0 GGABHN CC(C)Oc1ccc(CN2CCC[C@H](Cn3nnc(-c4ccccn4)n3)C2)cc1 ZINC000012220288 204383735 /nfs/dbraw/zinc/38/37/35/204383735.db2.gz PSWDKBXOFKGPMT-IBGZPJMESA-N 0 3 392.507 3.435 40 0 GGABHN CC(=O)Nc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 ZINC000012219547 204384140 /nfs/dbraw/zinc/38/41/40/204384140.db2.gz GKWKYMCYKYZKHH-UHFFFAOYSA-N 0 3 377.448 3.470 40 0 GGABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293737 204389635 /nfs/dbraw/zinc/38/96/35/204389635.db2.gz UACOOTXIJIDFLN-VQTJNVASSA-N 0 3 387.451 3.218 40 0 GGABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(C)cc3)CC1)C[C@H]2O ZINC000012293427 204390005 /nfs/dbraw/zinc/39/00/05/204390005.db2.gz VJXGSWZTGIXGHO-RTWAWAEBSA-N 0 3 383.488 3.388 40 0 GGABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)cc1C ZINC000012329476 204398116 /nfs/dbraw/zinc/39/81/16/204398116.db2.gz HNBYDFLZEPWAKS-RTWAWAEBSA-N 0 3 383.488 3.393 40 0 GGABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)c1 ZINC000012330010 204398212 /nfs/dbraw/zinc/39/82/12/204398212.db2.gz LQVVICKPMRXUQH-SFTDATJTSA-N 0 3 399.487 3.088 40 0 GGABHN CC(=O)N1CCCc2cc([C@@H](O)CN3CCC(c4ccncc4)CC3)ccc21 ZINC000012326522 204398574 /nfs/dbraw/zinc/39/85/74/204398574.db2.gz XJVULGJMASPMOW-QHCPKHFHSA-N 0 3 379.504 3.294 40 0 GGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012329946 204398587 /nfs/dbraw/zinc/39/85/87/204398587.db2.gz IJAFPRBYYFLANK-NHCUHLMSSA-N 0 3 383.488 3.388 40 0 GGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)cc1 ZINC000012329882 204398593 /nfs/dbraw/zinc/39/85/93/204398593.db2.gz KMSYVDJMHZUJBR-NHCUHLMSSA-N 0 3 399.487 3.088 40 0 GGABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc(F)cc1 ZINC000012329622 204398866 /nfs/dbraw/zinc/39/88/66/204398866.db2.gz ALFUZBQPPCEHQL-MOPGFXCFSA-N 0 3 375.415 3.349 40 0 GGABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(OC)ccc2O3)c1 ZINC000012330033 204399151 /nfs/dbraw/zinc/39/91/51/204399151.db2.gz GREGFKYQULXQDU-LEWJYISDSA-N 0 3 399.487 3.088 40 0 GGABHN Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000012327695 204399266 /nfs/dbraw/zinc/39/92/66/204399266.db2.gz YLDGZRQNCBUMMT-FQEVSTJZSA-N 0 3 383.488 3.173 40 0 GGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(OC)ccc2O3)cc1 ZINC000012329897 204399273 /nfs/dbraw/zinc/39/92/73/204399273.db2.gz RFQCGOZYYCFGSF-SFTDATJTSA-N 0 3 399.487 3.088 40 0 GGABHN Cc1cccc(CN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)c1 ZINC000019235041 204633310 /nfs/dbraw/zinc/63/33/10/204633310.db2.gz UMIJZPNHHYJXJH-JOCHJYFZSA-N 0 3 376.504 3.132 40 0 GGABHN COCCN1C(=O)C(CC(=O)Nc2ccc(C)cc2F)n2c3ccccc3nc21 ZINC000039963973 205043865 /nfs/dbraw/zinc/04/38/65/205043865.db2.gz QTJIVVBCCFYZDW-SFHVURJKSA-N 0 3 396.422 3.047 40 0 GGABHN COCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2)n2c3ccccc3nc21 ZINC000039963959 205044839 /nfs/dbraw/zinc/04/48/39/205044839.db2.gz HKOBHHQMVDLTND-KRWDZBQOSA-N 0 3 398.850 3.253 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCC[C@H](N(C(=O)OCc2ccccc2)C(C)C)C1 ZINC000079413413 205060756 /nfs/dbraw/zinc/06/07/56/205060756.db2.gz BOFIHMGPFQAFSH-OALUTQOASA-N 0 3 375.513 3.008 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCC[C@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079413519 205061473 /nfs/dbraw/zinc/06/14/73/205061473.db2.gz MGJRMUIWWMGWTK-ICSRJNTNSA-N 0 3 387.524 3.010 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCCC[C@H]1CN(C(=O)OCc1ccccc1)C(C)C ZINC000079413438 205061578 /nfs/dbraw/zinc/06/15/78/205061578.db2.gz JRHMFDKPDFGITE-PMACEKPBSA-N 0 3 389.540 3.398 40 0 GGABHN COc1cc2nc3n(c(=O)c2cc1OC)C[C@@H]1CC[C@H](C3)N1Cc1ccccc1 ZINC000072327373 205326458 /nfs/dbraw/zinc/32/64/58/205326458.db2.gz SHCYRICAJOZYKD-SJORKVTESA-N 0 3 391.471 3.003 40 0 GGABHN CCCn1ncc(CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)c1C ZINC000072342670 205329447 /nfs/dbraw/zinc/32/94/47/205329447.db2.gz WTNVCAGUQSYHBE-UHFFFAOYSA-N 0 3 392.551 3.472 40 0 GGABHN COc1ccccc1Cc1cccc(C2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000072349734 205330991 /nfs/dbraw/zinc/33/09/91/205330991.db2.gz CQCLPCMOSKCEDG-UHFFFAOYSA-N 0 3 393.531 3.483 40 0 GGABHN COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000072354493 205331934 /nfs/dbraw/zinc/33/19/34/205331934.db2.gz BDBLWMCMJQPZTK-NRFANRHFSA-N 0 3 384.495 3.018 40 0 GGABHN Cc1ccc(-n2cc(CN3CCC(Cc4cc(N)nc(C)n4)CC3)cn2)cc1 ZINC000072352110 205332338 /nfs/dbraw/zinc/33/23/38/205332338.db2.gz ONOVYSNGARPUQK-UHFFFAOYSA-N 0 3 376.508 3.316 40 0 GGABHN COC[C@@H]1CN(CCc2ccccc2)CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000072354541 205332915 /nfs/dbraw/zinc/33/29/15/205332915.db2.gz RATNJEMWQWGENX-JOCHJYFZSA-N 0 3 398.522 3.408 40 0 GGABHN CN1CCC(C(=O)N2CCC[C@H](c3nccnc3-c3cccc(F)c3)C2)CC1 ZINC000072359207 205334413 /nfs/dbraw/zinc/33/44/13/205334413.db2.gz JWLOAZYIPCNKLJ-SFHVURJKSA-N 0 3 382.483 3.331 40 0 GGABHN CN1CCC(C(=O)N2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)CC1 ZINC000072359208 205334572 /nfs/dbraw/zinc/33/45/72/205334572.db2.gz JWLOAZYIPCNKLJ-GOSISDBHSA-N 0 3 382.483 3.331 40 0 GGABHN c1cc(CN2CCC[C@@H](c3nnc4n3CCNC4)C2)cc(OC2CCCC2)c1 ZINC000072372128 205335259 /nfs/dbraw/zinc/33/52/59/205335259.db2.gz PWYWSNSOYPQDEA-GOSISDBHSA-N 0 3 381.524 3.082 40 0 GGABHN CN1CCC(C(=O)N2CCC(c3nccnc3Oc3cccc(F)c3)CC2)CC1 ZINC000072363241 205335537 /nfs/dbraw/zinc/33/55/37/205335537.db2.gz IOMNIKZEEWILLT-UHFFFAOYSA-N 0 3 398.482 3.456 40 0 GGABHN Cn1nccc1CN1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371588 205335982 /nfs/dbraw/zinc/33/59/82/205335982.db2.gz SDPIGHGYQSUMSL-OAHLLOKOSA-N 0 3 385.899 3.408 40 0 GGABHN Cn1nccc1CN1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371588 205335987 /nfs/dbraw/zinc/33/59/87/205335987.db2.gz SDPIGHGYQSUMSL-OAHLLOKOSA-N 0 3 385.899 3.408 40 0 GGABHN Cn1cc(CN2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 ZINC000072371563 205336400 /nfs/dbraw/zinc/33/64/00/205336400.db2.gz OKTHOIFFJQAKAG-INIZCTEOSA-N 0 3 385.899 3.408 40 0 GGABHN Cn1cc(CN2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000072371563 205336405 /nfs/dbraw/zinc/33/64/05/205336405.db2.gz OKTHOIFFJQAKAG-INIZCTEOSA-N 0 3 385.899 3.408 40 0 GGABHN COc1ccccc1-c1ccccc1CN1CCn2c(nnc2[C@@H]2CCCN2)C1 ZINC000072373982 205337344 /nfs/dbraw/zinc/33/73/44/205337344.db2.gz KBVJANHXKHNUEV-FQEVSTJZSA-N 0 3 389.503 3.394 40 0 GGABHN C[C@H]1CCCCN1CC(=O)N1CCC(c2ccc(Nc3cnccn3)cn2)CC1 ZINC000072374230 205338374 /nfs/dbraw/zinc/33/83/74/205338374.db2.gz SKZVBQQPSSOFEG-KRWDZBQOSA-N 0 3 394.523 3.196 40 0 GGABHN COc1ccccc1-c1ccccc1CN1CCn2c(nnc2[C@H]2CCCN2)C1 ZINC000072373983 205338406 /nfs/dbraw/zinc/33/84/06/205338406.db2.gz KBVJANHXKHNUEV-HXUWFJFHSA-N 0 3 389.503 3.394 40 0 GGABHN Fc1ccc(OCCN2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377980 205339688 /nfs/dbraw/zinc/33/96/88/205339688.db2.gz NYYQRUCURCNCBT-INIZCTEOSA-N 0 3 394.454 3.408 40 0 GGABHN Cc1cccc2cc(CN(CCN(C)C)C(=O)Nc3ccccc3)c(=O)[nH]c12 ZINC000004231181 205740926 /nfs/dbraw/zinc/74/09/26/205740926.db2.gz XJDCVUUHLKBPAS-UHFFFAOYSA-N 0 3 378.476 3.432 40 0 GGABHN CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(C2CCCCC2)CC1 ZINC000020141327 205915658 /nfs/dbraw/zinc/91/56/58/205915658.db2.gz YEWDABIKRLQTNX-NRFANRHFSA-N 0 3 398.555 3.131 40 0 GGABHN O=S(=O)(NC1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1)c1ccc(F)cc1 ZINC000027698487 206015038 /nfs/dbraw/zinc/01/50/38/206015038.db2.gz JYXAWGCULDADLI-IHWFROFDSA-N 0 3 388.508 3.342 40 0 GGABHN COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224536086 206021851 /nfs/dbraw/zinc/02/18/51/206021851.db2.gz MJMKDTZSPMXHIW-UHFFFAOYSA-N 0 3 392.496 3.299 40 0 GGABHN O=S(=O)(Cc1ccccc1F)NCc1ccccc1CN1CCCCC1 ZINC000224828963 206029879 /nfs/dbraw/zinc/02/98/79/206029879.db2.gz SUKPEOLTPOQOQZ-UHFFFAOYSA-N 0 3 376.497 3.431 40 0 GGABHN COc1ccc2cc(S(=O)(=O)NCCCN3CCC(C)CC3)ccc2c1 ZINC000225049415 206034063 /nfs/dbraw/zinc/03/40/63/206034063.db2.gz CBIQAKYINLJNBN-UHFFFAOYSA-N 0 3 376.522 3.249 40 0 GGABHN Cc1ccc(CN2CCC(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000225269334 206041373 /nfs/dbraw/zinc/04/13/73/206041373.db2.gz HUJTYGBSPBQEPY-HXUWFJFHSA-N 0 3 380.488 3.163 40 0 GGABHN CC1CCN(Cc2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2)CC1 ZINC000225263848 206041999 /nfs/dbraw/zinc/04/19/99/206041999.db2.gz ZPAINLZLEQZVPQ-FQEVSTJZSA-N 0 3 380.488 3.488 40 0 GGABHN CSc1ccccc1CN1CCC(CNC(=O)NC[C@@H]2CCCO2)CC1 ZINC000225554308 206057157 /nfs/dbraw/zinc/05/71/57/206057157.db2.gz HUPVKSATGRTONG-SFHVURJKSA-N 0 3 377.554 3.099 40 0 GGABHN CCN(CC)CCn1c2ccccc2[nH]c1=NC(=O)Nc1cccc(OC)c1 ZINC000032610760 206090703 /nfs/dbraw/zinc/09/07/03/206090703.db2.gz ZGQCULZUNBNEPW-UHFFFAOYSA-N 0 3 381.480 3.453 40 0 GGABHN CCCCCCNC(=O)C(C)S(=O)(=O)Cc1cccc(Br)c1 ZINC000032925274 206096775 /nfs/dbraw/zinc/09/67/75/206096775.db2.gz AIUCCTLJZCNZOC-CYBMUJFWSA-N 0 3 390.343 3.449 40 0 GGABHN O=C1c2ccccc2C(=O)N1CCCCN1CCN(CC2CCCCC2)CC1 ZINC000058420250 206103069 /nfs/dbraw/zinc/10/30/69/206103069.db2.gz UZNYIXSQWDGDJE-UHFFFAOYSA-N 0 3 383.536 3.261 40 0 GGABHN CCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2cccc(Cl)c2)CN(C)C(=O)C1 ZINC000096113418 206117701 /nfs/dbraw/zinc/11/77/01/206117701.db2.gz RPXSDABJXLBYAE-IEBWSBKVSA-N 0 3 393.959 3.315 40 0 biogenic,in-vitro GGABHN CN(C)c1ncc2c(n1)[C@@]1(CCN(Cc3ccc(-c4ccccc4)o3)C1)COC2 ZINC000248072300 206135957 /nfs/dbraw/zinc/13/59/57/206135957.db2.gz BBOQXERKYIDVHX-HSZRJFAPSA-N 0 3 390.487 3.477 40 0 GGABHN CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000248074464 206136234 /nfs/dbraw/zinc/13/62/34/206136234.db2.gz BRJDUKLTBJHYQP-UIAACRFSSA-N 0 3 392.496 3.340 40 0 GGABHN Cc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@H](N)C(C)C)CC[C@H]3O[C@@H]21 ZINC000257200271 206157920 /nfs/dbraw/zinc/15/79/20/206157920.db2.gz ACRNRCNSTRUFSA-MAWREPJSSA-N 0 3 386.536 3.444 40 0 GGABHN CCN1C(=O)CC[C@@H](C(=O)N(C)CC2CCN(C)CC2)[C@@H]1c1ccc(C)cc1 ZINC000257206863 206159497 /nfs/dbraw/zinc/15/94/97/206159497.db2.gz BFFOXSFOCGHINO-IRLDBZIGSA-N 0 3 385.552 3.095 40 0 GGABHN CN(c1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)CN1CCCCCC1)CC2 ZINC000257212493 206159587 /nfs/dbraw/zinc/15/95/87/206159587.db2.gz CDRPXIQJLJIHNP-NRFANRHFSA-N 0 3 385.552 3.149 40 0 GGABHN COc1ccccc1Oc1nccnc1C1CCN(C(=O)CN2CCCC2)CC1 ZINC000257205097 206159717 /nfs/dbraw/zinc/15/97/17/206159717.db2.gz AXQFPQPFLGGILD-UHFFFAOYSA-N 0 3 396.491 3.079 40 0 GGABHN CC1(c2ncc(Cc3cccc(F)c3)o2)CCN(C(=O)CN2CCCC2)CC1 ZINC000257215531 206160976 /nfs/dbraw/zinc/16/09/76/206160976.db2.gz CQPIQXWHYVUSDF-UHFFFAOYSA-N 0 3 385.483 3.380 40 0 GGABHN NCc1cn(-c2ccccc2C(=O)NCc2ccc(OC(F)(F)F)cc2)cn1 ZINC000257222749 206161493 /nfs/dbraw/zinc/16/14/93/206161493.db2.gz DUOCZGUOCOVDJX-UHFFFAOYSA-N 0 3 390.365 3.160 40 0 GGABHN CCc1onc(C)c1-c1cccc(C2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000257276241 206171850 /nfs/dbraw/zinc/17/18/50/206171850.db2.gz NSYUQFIPKFDIGS-UHFFFAOYSA-N 0 3 382.508 3.409 40 0 GGABHN Cc1cncc([C@@H]2CCCN(C(=O)C3(Cc4ccccc4)CCN(C)CC3)C2)n1 ZINC000257288356 206172739 /nfs/dbraw/zinc/17/27/39/206172739.db2.gz PTXIEZLPSCQDTJ-OAQYLSRUSA-N 0 3 392.547 3.446 40 0 GGABHN CC(=O)Nc1cccc([C@@H]2CN(Cc3ccncc3)C[C@]23CCCCC(=O)N3)c1 ZINC000257287204 206173484 /nfs/dbraw/zinc/17/34/84/206173484.db2.gz POXZKZPBBNFVLT-JTHBVZDNSA-N 0 3 392.503 3.068 40 0 GGABHN CC(=O)NCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 ZINC000257312824 206177806 /nfs/dbraw/zinc/17/78/06/206177806.db2.gz UPSHFDGGFHROKL-MRXNPFEDSA-N 0 3 384.455 3.115 40 0 GGABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000257229772 206163187 /nfs/dbraw/zinc/16/31/87/206163187.db2.gz FZKYDZLJUGTQHL-HNNXBMFYSA-N 0 3 392.500 3.259 40 0 GGABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)cc1 ZINC000257251750 206166931 /nfs/dbraw/zinc/16/69/31/206166931.db2.gz JSBNKEUIJZJWPM-QGZVFWFLSA-N 0 3 388.537 3.428 40 0 GGABHN Cc1ccsc1CN1CCC[C@H](c2ccnc3c(C(=O)N(C)C)cnn32)C1 ZINC000257253806 206167511 /nfs/dbraw/zinc/16/75/11/206167511.db2.gz KAJALSVXLDNACM-HNNXBMFYSA-N 0 3 383.521 3.181 40 0 GGABHN CC(=O)NCC(=O)N1CCC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 ZINC000257335269 206182386 /nfs/dbraw/zinc/18/23/86/206182386.db2.gz YJKRJHRXYRXBNL-SFHVURJKSA-N 0 3 380.492 3.284 40 0 GGABHN Cc1ncsc1CN1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306137849 206205883 /nfs/dbraw/zinc/20/58/83/206205883.db2.gz RIFNWXLIUQQTDU-MRXNPFEDSA-N 0 3 382.537 3.474 40 0 GGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306144369 206206833 /nfs/dbraw/zinc/20/68/33/206206833.db2.gz ZDLYHZOKBWCRLB-UGKGYDQZSA-N 0 3 382.508 3.285 40 0 GGABHN CN1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000306142770 206207034 /nfs/dbraw/zinc/20/70/34/206207034.db2.gz XJBXKXCIPSIRTO-UHFFFAOYSA-N 0 3 381.455 3.114 40 0 GGABHN CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3ccoc3)CC2)C1 ZINC000306141793 206207157 /nfs/dbraw/zinc/20/71/57/206207157.db2.gz WGPSUCCMGWQHLO-UHFFFAOYSA-N 0 3 381.455 3.114 40 0 GGABHN Clc1ncc(CN2CCO[C@]3(CCCC[C@H]3NCc3cccnc3)C2)s1 ZINC000306126344 206196575 /nfs/dbraw/zinc/19/65/75/206196575.db2.gz DTCZRHUYOATCAQ-IEBWSBKVSA-N 0 3 392.956 3.495 40 0 GGABHN CN1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3cccc(F)c3)CC2)C1 ZINC000306126042 206197185 /nfs/dbraw/zinc/19/71/85/206197185.db2.gz DKNDZGULYSRTJR-UHFFFAOYSA-N 0 3 381.455 3.114 40 0 GGABHN CC(C)CN1CCO[C@@]2(CCCC[C@@H]2NC(=O)c2ccc3c(c2)CCCO3)C1 ZINC000306128817 206199115 /nfs/dbraw/zinc/19/91/15/206199115.db2.gz HLJZDIINVADPLE-GMAHTHKFSA-N 0 3 386.536 3.411 40 0 GGABHN CC(C)CN1CCO[C@]2(CCCC[C@@H]2NC(=O)c2ccc3c(c2)CCCO3)C1 ZINC000306128818 206200083 /nfs/dbraw/zinc/20/00/83/206200083.db2.gz HLJZDIINVADPLE-JTHBVZDNSA-N 0 3 386.536 3.411 40 0 GGABHN Cc1ccc(CN2CCC(c3nnc4ccc(-c5cnn(C)c5)nn43)CC2)s1 ZINC000306132559 206200600 /nfs/dbraw/zinc/20/06/00/206200600.db2.gz LMGKJAHMXYXWII-UHFFFAOYSA-N 0 3 393.520 3.274 40 0 GGABHN CC(C)N1CC2(CCN(C3CCC3)CC2)COc2ccccc2S1(=O)=O ZINC000306133122 206200645 /nfs/dbraw/zinc/20/06/45/206200645.db2.gz MCSJKTKCSIGZFE-UHFFFAOYSA-N 0 3 378.538 3.113 40 0 GGABHN O=C(NC1CCCC1)C1=NO[C@H]2CCC3(CCN(Cc4cccc(O)c4)CC3)[C@@H]12 ZINC000306133138 206200683 /nfs/dbraw/zinc/20/06/83/206200683.db2.gz MDALEFZDKBCZEI-VQTJNVASSA-N 0 3 397.519 3.198 40 0 GGABHN Cn1cc(-c2ccc3nnc(C4CCN(Cc5ccc(F)cc5)CC4)n3n2)cn1 ZINC000306131022 206201114 /nfs/dbraw/zinc/20/11/14/206201114.db2.gz JUWPBYOHUDEDIJ-UHFFFAOYSA-N 0 3 391.454 3.044 40 0 GGABHN COc1ccccc1-c1cnc2n1C[C@]1(CCN(Cc3cccnc3OC)C1)C2 ZINC000306132239 206201565 /nfs/dbraw/zinc/20/15/65/206201565.db2.gz LCPHKAVFOCOFBR-HSZRJFAPSA-N 0 3 390.487 3.411 40 0 GGABHN Cn1cc(-c2cnc3ncn(C4CCN(Cc5cccs5)CC4)c3n2)cn1 ZINC000306132423 206201860 /nfs/dbraw/zinc/20/18/60/206201860.db2.gz LIFCNJBZFRUWRB-UHFFFAOYSA-N 0 3 379.493 3.125 40 0 GGABHN Cc1ccsc1CN1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306132851 206202154 /nfs/dbraw/zinc/20/21/54/206202154.db2.gz LUILVMPGBNDCTL-QGZVFWFLSA-N 0 3 397.548 3.315 40 0 GGABHN CC(C)n1cnc([C@H]2CN(Cc3cccnc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136108 206203718 /nfs/dbraw/zinc/20/37/18/206203718.db2.gz PJNLVGDXWMRPSK-NFBKMPQASA-N 0 3 393.535 3.087 40 0 GGABHN C[C@H](CCN1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000072335590 136168314 /nfs/dbraw/zinc/16/83/14/136168314.db2.gz OFDBNDGNKASTIQ-KZNAEPCWSA-N 0 3 396.535 3.348 40 0 GGABHN c1coc(-c2nc(N3CCN(C4CCCC4)CC3)ncc2-c2cnccn2)c1 ZINC000072338606 136168544 /nfs/dbraw/zinc/16/85/44/136168544.db2.gz XOQUJHOJWBKWIE-UHFFFAOYSA-N 0 3 376.464 3.258 40 0 GGABHN Fc1ccc(CN2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)cc1 ZINC000096038297 136183361 /nfs/dbraw/zinc/18/33/61/136183361.db2.gz LKWPOLSPJUISLE-UHFFFAOYSA-N 0 3 395.482 3.085 40 0 GGABHN CN(CC1CC1)c1ccc2ccc(C(=O)N3CCN(c4ccncc4)CC3)cn21 ZINC000096264112 136185871 /nfs/dbraw/zinc/18/58/71/136185871.db2.gz UYCHYMGGIGDUDJ-UHFFFAOYSA-N 0 3 389.503 3.143 40 0 GGABHN O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(CN2CCCCC2)cc1 ZINC000004926339 136194358 /nfs/dbraw/zinc/19/43/58/136194358.db2.gz ISHBIIRPGVVPAC-UHFFFAOYSA-N 0 3 392.547 3.433 40 0 GGABHN CCN1CCN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3OC)cc2)CC1 ZINC000011946897 136200056 /nfs/dbraw/zinc/20/00/56/136200056.db2.gz FJIAXYBGNPCAHW-UHFFFAOYSA-N 0 3 399.491 3.107 40 0 GGABHN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O ZINC000409104342 534226550 /nfs/dbraw/zinc/22/65/50/534226550.db2.gz DAUJSZKEWZANFD-BVTUPMQUSA-N 0 3 385.445 3.087 40 0 GGABHN CCN1CCC[C@H]1CN(Cc1cccs1)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000019527136 521653470 /nfs/dbraw/zinc/65/34/70/521653470.db2.gz XSEVLJIDLWZVEW-SFHVURJKSA-N 0 3 398.576 3.425 40 0 GGABHN CC1=C[C@H](C)[C@H](CN2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)CC1 ZINC000072335584 535252114 /nfs/dbraw/zinc/25/21/14/535252114.db2.gz ZXYQNHFYMWQQER-FJIDUMEYSA-N 0 3 386.540 3.146 40 0 GGABHN CCN1CCN(c2ccc(NCc3cc4ccc(OC)cc4[nH]c3=O)cc2)CC1 ZINC000072396185 535748908 /nfs/dbraw/zinc/74/89/08/535748908.db2.gz SKWIOOZBLQLFNO-UHFFFAOYSA-N 0 3 392.503 3.291 40 0 GGABHN CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000012602121 560091256 /nfs/dbraw/zinc/09/12/56/560091256.db2.gz UOJAFAZGXXNPCF-UHOSZYNNSA-N 0 3 399.514 3.112 40 0 biogenic,in-vitro GGABHN CC(C)n1cc2c3c1cccc3[C@@H]1C[C@@H](C(=O)N[C@H]3CCC[C@H]3O)CN(C)[C@@H]1C2 ZINC000005138466 560200783 /nfs/dbraw/zinc/20/07/83/560200783.db2.gz IMSDOBUYDTVEHN-ZLJPILQHSA-N 0 3 395.547 3.212 40 0 in-vitro GGABHN Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000006786827 564227330 /nfs/dbraw/zinc/22/73/30/564227330.db2.gz PWIKNVYCNGNIMM-AWEZNQCLSA-N 0 3 397.338 3.387 40 0 GGABHN O=S(=O)(Cc1ccc(Br)cc1)NCCCN1CCCCCC1 ZINC000010111335 564256069 /nfs/dbraw/zinc/25/60/69/564256069.db2.gz WXKSTVGSNULECW-UHFFFAOYSA-N 0 3 389.359 3.135 40 0 GGABHN Cc1cc2c(cc1Br)[C@H](O)[C@@](CN1CCCC1)(N1CCCC1)CO2 ZINC000019203031 564303490 /nfs/dbraw/zinc/30/34/90/564303490.db2.gz XKOJYNYWQJNWBN-OALUTQOASA-N 0 3 395.341 3.114 40 0 GGABHN Cc1cc2c(cc1Br)C(=O)[C@@](CN1CCCC1)(N1CCCC1)CO2 ZINC000019203026 564303561 /nfs/dbraw/zinc/30/35/61/564303561.db2.gz UCJXTILPSMJENB-IBGZPJMESA-N 0 3 393.325 3.263 40 0 GGABHN CCOc1c(Br)cc(Br)cc1CNCCN(C)C ZINC000022074930 564314021 /nfs/dbraw/zinc/31/40/21/564314021.db2.gz RTZRBKUYRXYWKW-UHFFFAOYSA-N 0 3 380.124 3.262 40 0 GGABHN CN1CCN(CC2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000048285715 564535701 /nfs/dbraw/zinc/53/57/01/564535701.db2.gz FKPGIEBUSWCVSR-UHFFFAOYSA-N 0 3 376.854 3.218 40 0 GGABHN CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1 ZINC000145169259 564878525 /nfs/dbraw/zinc/87/85/25/564878525.db2.gz LYJVSRBAWIZUFI-UHFFFAOYSA-N 0 3 376.547 3.483 40 0 GGABHN Cc1ccc(CN2CCC3(CN(S(C)(=O)=O)c4ccccc43)CC2)s1 ZINC000096241352 564901324 /nfs/dbraw/zinc/90/13/24/564901324.db2.gz TUKGQBJSIHNCEU-UHFFFAOYSA-N 0 3 376.547 3.370 40 0 GGABHN CCOC[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218059562 565898475 /nfs/dbraw/zinc/89/84/75/565898475.db2.gz NEPGDTFQTZEUGL-CEXWTWQISA-N 0 3 379.909 3.261 40 0 GGABHN CCOC[C@@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218515436 565899412 /nfs/dbraw/zinc/89/94/12/565899412.db2.gz DVBIBJWYSPYWCO-FHWLQOOXSA-N 0 3 379.909 3.261 40 0 GGABHN CCOC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218512528 565899745 /nfs/dbraw/zinc/89/97/45/565899745.db2.gz NTWPVCUPGOGXAS-GBESFXJTSA-N 0 3 379.909 3.261 40 0 GGABHN COC[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218547916 565899765 /nfs/dbraw/zinc/89/97/65/565899765.db2.gz TYUHYATYANXYKY-GBESFXJTSA-N 0 3 379.909 3.180 40 0 GGABHN COC[C@@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218636945 565900793 /nfs/dbraw/zinc/90/07/93/565900793.db2.gz KHSLPZBXVIELKS-BZSNNMDCSA-N 0 3 383.872 3.010 40 0 GGABHN COC[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252516536 566115334 /nfs/dbraw/zinc/11/53/34/566115334.db2.gz TYUHYATYANXYKY-IPMKNSEASA-N 0 3 379.909 3.180 40 0 GGABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000252515754 566116225 /nfs/dbraw/zinc/11/62/25/566116225.db2.gz NEPGDTFQTZEUGL-GUDVDZBRSA-N 0 3 379.909 3.261 40 0 GGABHN Cn1cc(CN2CCC3(C[C@@H](C(=O)NC4CCC4)c4ccccc43)CC2)cn1 ZINC000096079337 570209898 /nfs/dbraw/zinc/20/98/98/570209898.db2.gz VBEGSGFYRNNKNY-HXUWFJFHSA-N 0 3 378.520 3.110 40 0 GGABHN O=C(c1ccno1)N1CC[C@]2(c3ccccc3)CN(Cc3ccco3)C[C@H]2C1 ZINC000096083311 570210075 /nfs/dbraw/zinc/21/00/75/570210075.db2.gz DKQYEDBHPDQKAK-PGRDOPGGSA-N 0 3 377.444 3.184 40 0 GGABHN COCCN(C)c1nc(C2CCN(Cc3ccc(C)o3)CC2)cc2c1ncn2C ZINC000096099961 570210322 /nfs/dbraw/zinc/21/03/22/570210322.db2.gz QJKLENSSRDUJIF-UHFFFAOYSA-N 0 3 397.523 3.332 40 0 GGABHN CC(C)NC(=O)c1cc([C@@H]2CCN(Cc3ccnn3C)C2)nc2ccccc21 ZINC000019762675 570216993 /nfs/dbraw/zinc/21/69/93/570216993.db2.gz RKILAZRJSQSOTF-MRXNPFEDSA-N 0 3 377.492 3.096 40 0 GGABHN O=C(NCc1cccnc1)N1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216357 570219456 /nfs/dbraw/zinc/21/94/56/570219456.db2.gz ROHFIBJGTHDEQY-QHCPKHFHSA-N 0 3 394.519 3.158 40 0 GGABHN Cc1cccc(C(=O)N2CCC3(C[C@@H](N(C)Cc4ccccc4)CO3)CC2)n1 ZINC000096221015 570220105 /nfs/dbraw/zinc/22/01/05/570220105.db2.gz DBAKYKXWCHSVPZ-HXUWFJFHSA-N 0 3 379.504 3.286 40 0 GGABHN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096228788 570221265 /nfs/dbraw/zinc/22/12/65/570221265.db2.gz GMISYGZEJYTMBX-DEOSSOPVSA-N 0 3 393.531 3.442 40 0 GGABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccccc1OC ZINC000019819049 570221909 /nfs/dbraw/zinc/22/19/09/570221909.db2.gz SHHKGXZYMPKMFI-MRXNPFEDSA-N 0 3 394.427 3.134 40 0 GGABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(OC)cc1 ZINC000019819026 570221936 /nfs/dbraw/zinc/22/19/36/570221936.db2.gz ZWIHIZIKIHIXEW-SFHVURJKSA-N 0 3 394.427 3.134 40 0 GGABHN COc1ccc(CN2CC[C@]3(C2)COCc2c(C)nc(NCC4CC4)nc23)cc1 ZINC000096244497 570223640 /nfs/dbraw/zinc/22/36/40/570223640.db2.gz FKPAZSOVEZBAHY-QHCPKHFHSA-N 0 3 394.519 3.289 40 0 GGABHN COc1cccc(CN2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)c1 ZINC000096244274 570223689 /nfs/dbraw/zinc/22/36/89/570223689.db2.gz ISOVRLMJLFXKMS-HSZRJFAPSA-N 0 3 388.471 3.221 40 0 GGABHN CC(C)CNc1nc2c(cc1C(=O)NC(C)C)CCN(Cc1ccccn1)CC2 ZINC000096260527 570225884 /nfs/dbraw/zinc/22/58/84/570225884.db2.gz ITWPWLNVPJXCDI-UHFFFAOYSA-N 0 3 395.551 3.284 40 0 GGABHN O=C(NCc1cccs1)c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1 ZINC000096267358 570227325 /nfs/dbraw/zinc/22/73/25/570227325.db2.gz AOEUVCWOQUDXIF-UHFFFAOYSA-N 0 3 394.544 3.463 40 0 GGABHN Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCCCN4)CC3)n2)s1 ZINC000585262612 570230959 /nfs/dbraw/zinc/23/09/59/570230959.db2.gz IFZAOSXYDAAEPP-KRWDZBQOSA-N 0 3 385.537 3.438 40 0 GGABHN Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4CCCCN4)CC3)n2)s1 ZINC000585262613 570230987 /nfs/dbraw/zinc/23/09/87/570230987.db2.gz IFZAOSXYDAAEPP-QGZVFWFLSA-N 0 3 385.537 3.438 40 0 GGABHN COc1ccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000096625638 570231737 /nfs/dbraw/zinc/23/17/37/570231737.db2.gz FUIHLPIXBZNXNJ-UHFFFAOYSA-N 0 3 386.467 3.242 40 0 GGABHN CCC[C@H](N)C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1 ZINC000585263623 570231969 /nfs/dbraw/zinc/23/19/69/570231969.db2.gz WGYJJCNHMBEXNN-HNNXBMFYSA-N 0 3 388.541 3.127 40 0 GGABHN CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@H](O)c1ccccc1 ZINC000585270589 570239118 /nfs/dbraw/zinc/23/91/18/570239118.db2.gz MYJBQNPKKPJLMC-QFIPXVFZSA-N 0 3 382.504 3.243 40 0 GGABHN Cc1ccc(OC[C@@H](O)CN(C)Cc2cccc(CN3CCOCC3)c2)c(C)c1 ZINC000585272895 570241327 /nfs/dbraw/zinc/24/13/27/570241327.db2.gz NIFKXEOXZXCPEP-QHCPKHFHSA-N 0 3 398.547 3.007 40 0 GGABHN Cc1ccc(OC[C@H](O)CN(C)Cc2cccc(CN3CCOCC3)c2)c(C)c1 ZINC000585272890 570241634 /nfs/dbraw/zinc/24/16/34/570241634.db2.gz NIFKXEOXZXCPEP-HSZRJFAPSA-N 0 3 398.547 3.007 40 0 GGABHN CC(=O)N1CCC(N2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)CC1 ZINC000585283606 570251857 /nfs/dbraw/zinc/25/18/57/570251857.db2.gz SIPAOVIESHTAEJ-OAQYLSRUSA-N 0 3 394.943 3.173 40 0 GGABHN COc1ccc(OC[C@@H](O)CNCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000585284496 570253278 /nfs/dbraw/zinc/25/32/78/570253278.db2.gz LJDXXOOWBFEUDG-KRWDZBQOSA-N 0 3 382.460 3.095 40 0 GGABHN COc1ccc(OC[C@H](O)CNCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000585284497 570253318 /nfs/dbraw/zinc/25/33/18/570253318.db2.gz LJDXXOOWBFEUDG-QGZVFWFLSA-N 0 3 382.460 3.095 40 0 GGABHN COc1ccc(OC[C@H](O)CNCc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000585284939 570254205 /nfs/dbraw/zinc/25/42/05/570254205.db2.gz METRECXNJWEGOP-GOSISDBHSA-N 0 3 382.460 3.095 40 0 GGABHN FC(F)(F)c1nc(-c2ccc([C@@H]3CCCN(Cc4cn[nH]c4)C3)nc2)no1 ZINC000585289441 570257461 /nfs/dbraw/zinc/25/74/61/570257461.db2.gz GJODIPRMBTYCOJ-CYBMUJFWSA-N 0 3 378.358 3.253 40 0 GGABHN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N1CCN2CCC[C@@H]2C1 ZINC000017078006 570258274 /nfs/dbraw/zinc/25/82/74/570258274.db2.gz FICASSUTUHXFLJ-QGZVFWFLSA-N 0 3 381.524 3.337 40 0 GGABHN COc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)c(OC)c1 ZINC000585288465 570258958 /nfs/dbraw/zinc/25/89/58/570258958.db2.gz AZWBJMTZSDFRCH-QKNQBKEWSA-N 0 3 375.440 3.294 40 0 GGABHN Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)n1 ZINC000585292743 570261107 /nfs/dbraw/zinc/26/11/07/570261107.db2.gz SCWDAEHAUIPSIE-JGZYNSJSSA-N 0 3 394.523 3.056 40 0 GGABHN Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(C(=O)/C=C/CN(C)C)C3)nc2)n1 ZINC000585292457 570261792 /nfs/dbraw/zinc/26/17/92/570261792.db2.gz MUQAHKDDMBNSAX-JHTBKMLMSA-N 0 3 394.523 3.056 40 0 GGABHN Cc1cccnc1Nc1cc([C@@H]2CCCN2C(=O)/C=C/CN(C)C)nc(C)n1 ZINC000585292521 570261878 /nfs/dbraw/zinc/26/18/78/570261878.db2.gz NZNKNJSHDPLGOZ-HKMNZKMDSA-N 0 3 380.496 3.013 40 0 GGABHN Cc1cccnc1Nc1cc([C@H]2CCCN2C(=O)/C=C/CN(C)C)nc(C)n1 ZINC000585292523 570261969 /nfs/dbraw/zinc/26/19/69/570261969.db2.gz NZNKNJSHDPLGOZ-RUJXFNLJSA-N 0 3 380.496 3.013 40 0 GGABHN Cc1cccc(Nc2cc(C3CCN(C(=O)/C=C/CN(C)C)CC3)ccn2)n1 ZINC000585293160 570262273 /nfs/dbraw/zinc/26/22/73/570262273.db2.gz YLVMBDITTGUANE-VMPITWQZSA-N 0 3 379.508 3.352 40 0 GGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000100565038 570273256 /nfs/dbraw/zinc/27/32/56/570273256.db2.gz MLMNIIWAGRXMHP-AQNXPRMDSA-N 0 3 390.395 3.339 40 0 GGABHN CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)c3ccc(N(C)C)cc3)CC2)nn1C ZINC000100687645 570274640 /nfs/dbraw/zinc/27/46/40/570274640.db2.gz RLGAGSYPCFYPGF-HDICACEKSA-N 0 3 397.567 3.252 40 0 GGABHN Cc1ccccc1[C@H]1CN(Cc2ccccc2Br)[C@H](CO)[C@@H]1O ZINC000585295382 570279747 /nfs/dbraw/zinc/27/97/47/570279747.db2.gz XJBVHVMLAGVBMF-BHIYHBOVSA-N 0 3 376.294 3.079 40 0 GGABHN Cc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccc(F)c(F)c4)C3=O)c2c1 ZINC000020798967 570280871 /nfs/dbraw/zinc/28/08/71/570280871.db2.gz GAPMDSORTLACLS-LJQANCHMSA-N 0 3 383.398 3.219 40 0 GGABHN Cc1ccc(CN2CCOC[C@@]3(C[C@@H](CNc4ncccc4F)CO3)C2)s1 ZINC000107795175 570311053 /nfs/dbraw/zinc/31/10/53/570311053.db2.gz SXLKXNLKTONBJP-OXJNMPFZSA-N 0 3 391.512 3.310 40 0 GGABHN CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NCCCN(C)Cc1ccccc1 ZINC000022276640 570311815 /nfs/dbraw/zinc/31/18/15/570311815.db2.gz FCJVWNWYKSYYHT-NRFANRHFSA-N 0 3 387.568 3.346 40 0 GGABHN O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216313 570317267 /nfs/dbraw/zinc/31/72/67/570317267.db2.gz USPLWDIVUPWUDF-FQEVSTJZSA-N 0 3 380.492 3.355 40 0 GGABHN Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072222622 570318441 /nfs/dbraw/zinc/31/84/41/570318441.db2.gz RPRXRLUSMBHWQH-IBGZPJMESA-N 0 3 382.508 3.495 40 0 GGABHN CC1CCN([C@@H](CNC(=O)[C@H]2COc3ccccc3O2)c2cccs2)CC1 ZINC000022680863 570324224 /nfs/dbraw/zinc/32/42/24/570324224.db2.gz IPCQGTGJANYTPY-QFBILLFUSA-N 0 3 386.517 3.477 40 0 GGABHN CCN1CCN(Cc2ccc(CNC(=O)/C=C/c3cccc(OC)c3)cc2)CC1 ZINC000032932414 570397358 /nfs/dbraw/zinc/39/73/58/570397358.db2.gz BPRBUDGHNXBFID-VAWYXSNFSA-N 0 3 393.531 3.162 40 0 GGABHN CCc1ccc2oc(=O)cc(CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c2c1 ZINC000028571616 570461556 /nfs/dbraw/zinc/46/15/56/570461556.db2.gz ZCSWBPBKDNBKQC-FUHWJXTLSA-N 0 3 376.456 3.136 40 0 GGABHN NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000006580273 570483956 /nfs/dbraw/zinc/48/39/56/570483956.db2.gz WJCWFNVHTTXYSE-FQEVSTJZSA-N 0 3 376.456 3.200 40 0 GGABHN COCCOc1cc(CN(C)C[C@H](O)Cn2ccc3ccccc32)ccc1OC ZINC000257209389 570487483 /nfs/dbraw/zinc/48/74/83/570487483.db2.gz BQECFMVEZIFSKI-FQEVSTJZSA-N 0 3 398.503 3.168 40 0 GGABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1Cl ZINC000030326190 570488649 /nfs/dbraw/zinc/48/86/49/570488649.db2.gz KIZATCGQGCXIMC-UHFFFAOYSA-N 0 3 394.924 3.423 40 0 GGABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@H]3C2=O)c1 ZINC000095483669 570541384 /nfs/dbraw/zinc/54/13/84/570541384.db2.gz MEXIFCKJJODSBW-HKBOAZHASA-N 0 3 385.423 3.441 40 0 GGABHN COC(=O)c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000001350965 570573026 /nfs/dbraw/zinc/57/30/26/570573026.db2.gz SLMXQXLUCGMDGT-UHFFFAOYSA-N 0 3 383.517 3.424 40 0 GGABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C1=O ZINC000101074883 570617303 /nfs/dbraw/zinc/61/73/03/570617303.db2.gz GXCOQECPHALNOB-HBMCJLEFSA-N 0 3 385.423 3.441 40 0 GGABHN Cc1cc2cc(CN(CCN(C)C)C(=S)NCC(C)C)c(=O)[nH]c2cc1C ZINC000004133559 570618025 /nfs/dbraw/zinc/61/80/25/570618025.db2.gz QHYLABJGSGBEMU-UHFFFAOYSA-N 0 3 388.581 3.039 40 0 GGABHN CCCCNC(=S)N(CCN(C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004133538 570618089 /nfs/dbraw/zinc/61/80/89/570618089.db2.gz CSGUCKGHSKHQBM-UHFFFAOYSA-N 0 3 388.581 3.183 40 0 GGABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1c(C)nc(-c2ccccc2)nc1OC ZINC000012363006 570646074 /nfs/dbraw/zinc/64/60/74/570646074.db2.gz KDPJRIZTEIZJIA-IBGZPJMESA-N 0 3 396.535 3.384 40 0 GGABHN CC(C)(CN1CC[C@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1)C[NH+]1CCCCC1 ZINC000012365901 570646481 /nfs/dbraw/zinc/64/64/81/570646481.db2.gz WMMKJPVPDLJFNN-SFHVURJKSA-N 0 3 387.572 3.084 40 0 GGABHN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000047304871 570653679 /nfs/dbraw/zinc/65/36/79/570653679.db2.gz VOVYQSIUHNYCPQ-UHFFFAOYSA-N 0 3 379.504 3.374 40 0 GGABHN COc1ccc(C2(C(=O)N3Cc4cc(C)ccc4OC[C@H]3CN(C)C)CC2)cc1 ZINC000012406605 570653894 /nfs/dbraw/zinc/65/38/94/570653894.db2.gz OXILLFMVBNRNPR-HXUWFJFHSA-N 0 3 394.515 3.387 40 0 GGABHN Cc1nc2cc([C@@H]3CC[N@H+](CC(C)(C)CN4CCCCC4)C3)[n-]n2c(=O)c1C ZINC000012745627 570708368 /nfs/dbraw/zinc/70/83/68/570708368.db2.gz ODJHUILWONQHSY-GOSISDBHSA-N 0 3 385.556 3.353 40 0 GGABHN Cc1nc2cc([C@@H]3CC[N@@H+](CC(C)(C)CN4CCCCC4)C3)[n-]n2c(=O)c1C ZINC000012745627 570708374 /nfs/dbraw/zinc/70/83/74/570708374.db2.gz ODJHUILWONQHSY-GOSISDBHSA-N 0 3 385.556 3.353 40 0 GGABHN CCc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)N(C)C)cc1 ZINC000017795021 570715298 /nfs/dbraw/zinc/71/52/98/570715298.db2.gz ZONXCOXGWZGTID-GOSISDBHSA-N 0 3 383.517 3.326 40 0 GGABHN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010331687 570789227 /nfs/dbraw/zinc/78/92/27/570789227.db2.gz IRDVITSOINEYDZ-UHFFFAOYSA-N 0 3 398.459 3.339 40 0 GGABHN COc1cc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cc(OC)c1OC ZINC000003236190 570839699 /nfs/dbraw/zinc/83/96/99/570839699.db2.gz RZQFFVUCOQHHBQ-HKUYNNGSSA-N 0 3 396.487 3.469 40 0 GGABHN Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(CC2CCCCC2)CC1 ZINC000072340535 570881076 /nfs/dbraw/zinc/88/10/76/570881076.db2.gz OFYDUMDLNHHWGZ-OAQYLSRUSA-N 0 3 386.515 3.343 40 0 GGABHN CNc1cc(CN(C)Cc2cc3c(cc2OC)CCCC3)nc([C@H]2CCCN2)n1 ZINC000019759962 570887649 /nfs/dbraw/zinc/88/76/49/570887649.db2.gz CVHCLHKZOKMWND-HXUWFJFHSA-N 0 3 395.551 3.462 40 0 GGABHN CCN1CCC[C@H]1CN(Cc1ccnn1[C@H]1CCCCO1)Cc1ccccn1 ZINC000257283762 570902548 /nfs/dbraw/zinc/90/25/48/570902548.db2.gz OZTWTTDLLHEPNA-RBBKRZOGSA-N 0 3 383.540 3.464 40 0 GGABHN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)(C3)C2 ZINC000019136413 570924318 /nfs/dbraw/zinc/92/43/18/570924318.db2.gz GFUDZZJJRAINMG-QXPPZTQFSA-N 0 3 397.563 3.189 40 0 GGABHN CCn1cc(CN2CCC[C@@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)cn1 ZINC000585099836 570925802 /nfs/dbraw/zinc/92/58/02/570925802.db2.gz GCVJUQMURNPRKY-OAQYLSRUSA-N 0 3 385.512 3.055 40 0 GGABHN CCOC[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218542554 570926712 /nfs/dbraw/zinc/92/67/12/570926712.db2.gz XYKPQFWOCIANQO-FSSWDIPSSA-N 0 3 387.545 3.479 40 0 GGABHN CCOC[C@@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218542706 570926818 /nfs/dbraw/zinc/92/68/18/570926818.db2.gz XYKPQFWOCIANQO-FKBYEOEOSA-N 0 3 387.545 3.479 40 0 GGABHN CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(O)c1 ZINC000016753655 570932634 /nfs/dbraw/zinc/93/26/34/570932634.db2.gz HDCJUFPOUSPKKZ-IBGZPJMESA-N 0 3 396.418 3.135 40 0 GGABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2cc(Cl)ccc2OC)CC1 ZINC000226259556 570935102 /nfs/dbraw/zinc/93/51/02/570935102.db2.gz PUXXDORNXUXJOK-UHFFFAOYSA-N 0 3 388.899 3.325 40 0 GGABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccc(OC(C)C)cc2)CC1 ZINC000226259993 570935150 /nfs/dbraw/zinc/93/51/50/570935150.db2.gz NWQKIRPTZRQXKM-UHFFFAOYSA-N 0 3 382.508 3.450 40 0 GGABHN O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000585109671 570938081 /nfs/dbraw/zinc/93/80/81/570938081.db2.gz IASWOXXDJBWLMC-WPFOTENUSA-N 0 3 391.515 3.285 40 0 GGABHN Cc1cc(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccc(C)o4)[C@H]3C2)n(C)n1 ZINC000585109837 570938431 /nfs/dbraw/zinc/93/84/31/570938431.db2.gz ZPOPHZOMYDDKMK-JAXLGGSGSA-N 0 3 390.487 3.330 40 0 GGABHN Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]21 ZINC000585109820 570938503 /nfs/dbraw/zinc/93/85/03/570938503.db2.gz XJPWBAQRCRGRTO-JAXLGGSGSA-N 0 3 390.462 3.260 40 0 GGABHN O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@@H]2[C@@H](CN2CC2CCCCC2)C1 ZINC000585108003 570939505 /nfs/dbraw/zinc/93/95/05/570939505.db2.gz SXTPYADENXMVCK-HNAYVOBHSA-N 0 3 384.492 3.240 40 0 GGABHN Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CN2C[C@@H](C)c2ccccc2)C1 ZINC000585108007 570939768 /nfs/dbraw/zinc/93/97/68/570939768.db2.gz UOUVFJZECRNRSD-HMXCVIKNSA-N 0 3 384.545 3.494 40 0 GGABHN CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cc3c(cc2C)OCO3)CC1 ZINC000019125531 570957780 /nfs/dbraw/zinc/95/77/80/570957780.db2.gz BYHBLPPJKIVAFD-JOCHJYFZSA-N 0 3 381.476 3.208 40 0 GGABHN Cc1cc2nc([C@H]3CCCN(Cc4cc5c(cc4C)OCO5)C3)cc(N)n2n1 ZINC000019125583 570957838 /nfs/dbraw/zinc/95/78/38/570957838.db2.gz DLHRCSRFJFHAIA-HNNXBMFYSA-N 0 3 379.464 3.037 40 0 GGABHN COc1ccc(OC)c(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)c1 ZINC000019129212 570958033 /nfs/dbraw/zinc/95/80/33/570958033.db2.gz IVSCFHWNFKRHSE-OAHLLOKOSA-N 0 3 381.480 3.017 40 0 GGABHN Cc1ccc([C@H](C)C(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)cc1 ZINC000019136153 570959038 /nfs/dbraw/zinc/95/90/38/570959038.db2.gz BXZHSGXQEOCDQC-HKUYNNGSSA-N 0 3 378.520 3.283 40 0 GGABHN COc1cc(CN2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)cc(OC)c1OC ZINC000019215976 570961840 /nfs/dbraw/zinc/96/18/40/570961840.db2.gz STCVPDGGMLQECK-IXFSTUDKSA-N 0 3 398.503 3.145 40 0 GGABHN Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)coc2c1 ZINC000019221612 570963243 /nfs/dbraw/zinc/96/32/43/570963243.db2.gz QKBOKYCEAHZSNG-HXUWFJFHSA-N 0 3 390.487 3.425 40 0 GGABHN COc1c(C)cccc1C[N@@H+]1CC[C@H](c2cc(=O)[n-]c(-c3ccncc3)n2)C1 ZINC000019235909 570965892 /nfs/dbraw/zinc/96/58/92/570965892.db2.gz PZNWIYFZWCLTBG-KRWDZBQOSA-N 0 3 376.460 3.138 40 0 GGABHN COc1c(C)cccc1C[N@H+]1CC[C@H](c2cc(=O)[n-]c(-c3ccncc3)n2)C1 ZINC000019235909 570965897 /nfs/dbraw/zinc/96/58/97/570965897.db2.gz PZNWIYFZWCLTBG-KRWDZBQOSA-N 0 3 376.460 3.138 40 0 GGABHN COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4cccc(C)n4)[C@@H]32)cc1 ZINC000019236286 570966312 /nfs/dbraw/zinc/96/63/12/570966312.db2.gz MBLHTQGSTHVJQB-DNVJHFABSA-N 0 3 379.504 3.378 40 0 GGABHN CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCCN(Cc3ccncc3C)C2)C1 ZINC000019239511 570968815 /nfs/dbraw/zinc/96/88/15/570968815.db2.gz JSTZTLMGBSLWOX-REWPJTCUSA-N 0 3 379.504 3.412 40 0 GGABHN COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc1OC(C)C ZINC000019286347 570969611 /nfs/dbraw/zinc/96/96/11/570969611.db2.gz GBYPYUZLNWHBEN-SJORKVTESA-N 0 3 383.492 3.006 40 0 GGABHN COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc1OC(C)C ZINC000019286347 570969613 /nfs/dbraw/zinc/96/96/13/570969613.db2.gz GBYPYUZLNWHBEN-SJORKVTESA-N 0 3 383.492 3.006 40 0 GGABHN Cc1nc(C)n(C[C@@H](C)C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)n1 ZINC000019285945 570969648 /nfs/dbraw/zinc/96/96/48/570969648.db2.gz JYZXFLJTGSMPTH-QGZVFWFLSA-N 0 3 399.539 3.280 40 0 GGABHN Cc1nccn1C[C@@H](C)C(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019287653 570970641 /nfs/dbraw/zinc/97/06/41/570970641.db2.gz BOXMNWVCPNMZON-WMAFBANVSA-N 0 3 396.535 3.150 40 0 GGABHN Cn1c(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)cc2cc(Cl)ccc21 ZINC000019289752 570971503 /nfs/dbraw/zinc/97/15/03/570971503.db2.gz VKHBXVNRRYCLOW-GOSISDBHSA-N 0 3 395.894 3.245 40 0 GGABHN O=C(c1cc(C2CCCCC2)no1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019292190 570972200 /nfs/dbraw/zinc/97/22/00/570972200.db2.gz QLTIBDBZDKWMQT-KRWDZBQOSA-N 0 3 381.480 3.135 40 0 GGABHN O=C(N1CC[C@@H](c2ncc3c(n2)CCNC3)C1)C1(c2ccc(F)cc2)CCCC1 ZINC000019332911 570975463 /nfs/dbraw/zinc/97/54/63/570975463.db2.gz VOFUSBOXPKVPQZ-MRXNPFEDSA-N 0 3 394.494 3.089 40 0 GGABHN FC(F)(F)c1[nH]c2ncccc2c1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000019345121 570977561 /nfs/dbraw/zinc/97/75/61/570977561.db2.gz BCLXCQIYBTXANW-CQSZACIVSA-N 0 3 382.430 3.126 40 0 GGABHN O=C(C(c1ccccc1)c1ccccc1)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019369496 570980632 /nfs/dbraw/zinc/98/06/32/570980632.db2.gz VPHXSSVTFGJCBO-FQEVSTJZSA-N 0 3 398.510 3.270 40 0 GGABHN O=C(N[C@H]1CCCOC1)c1cc(C2CCN(CCCc3ccccc3)CC2)no1 ZINC000019371072 570980713 /nfs/dbraw/zinc/98/07/13/570980713.db2.gz PQRBLIFBXQHBST-FQEVSTJZSA-N 0 3 397.519 3.396 40 0 GGABHN O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(CC2=CCCOC2)C1)c1ccccn1 ZINC000019400310 570982168 /nfs/dbraw/zinc/98/21/68/570982168.db2.gz ANOGUDGDFXJISU-IEBWSBKVSA-N 0 3 398.532 3.068 40 0 GGABHN COc1ccc(NC(=O)NC[C@@H]2CN(C)C[C@H]2c2cccs2)c(OC)c1 ZINC000252516588 570983614 /nfs/dbraw/zinc/98/36/14/570983614.db2.gz USEKERMIMZQSRT-UKRRQHHQSA-N 0 3 375.494 3.232 40 0 GGABHN CC(C)NC(=O)[C@@H]1CN(CC2=CCCCC2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019449985 570985088 /nfs/dbraw/zinc/98/50/88/570985088.db2.gz IGRHERBFYDCBAC-WOJBJXKFSA-N 0 3 397.567 3.117 40 0 GGABHN COc1ccc(CN2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cc1OC(C)C ZINC000019453749 570986178 /nfs/dbraw/zinc/98/61/78/570986178.db2.gz RPPANIAGWSWRTO-UHFFFAOYSA-N 0 3 385.508 3.290 40 0 GGABHN CC1(C)Cc2nc(C3CCN(C[C@@H](O)c4ccccc4)CC3)ncc2[C@H](O)C1 ZINC000019461363 570988891 /nfs/dbraw/zinc/98/88/91/570988891.db2.gz OUHYGBOHEDGUPR-NHCUHLMSSA-N 0 3 381.520 3.395 40 0 GGABHN C[C@@H]1C[C@@H](C)CN(CC(=O)N2C[C@@H](c3ccccc3)[C@H](c3csnn3)C2)C1 ZINC000019462537 570989112 /nfs/dbraw/zinc/98/91/12/570989112.db2.gz RRHAZWNVHZOWBE-ZAWLATJESA-N 0 3 384.549 3.226 40 0 GGABHN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN(C(=O)C5CC5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495958 570989502 /nfs/dbraw/zinc/98/95/02/570989502.db2.gz SDPXNBQRUMAAJY-NXYGQSRBSA-N 0 3 398.551 3.235 40 0 GGABHN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN(C(=O)C5CC5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495958 570989505 /nfs/dbraw/zinc/98/95/05/570989505.db2.gz SDPXNBQRUMAAJY-NXYGQSRBSA-N 0 3 398.551 3.235 40 0 GGABHN CC1CCN(CC(=O)N(C)C2CCC3(CC2)CN(C)Cc2ccccc2O3)CC1 ZINC000019496850 570989858 /nfs/dbraw/zinc/98/98/58/570989858.db2.gz LEXZMHBXDKHYAD-UHFFFAOYSA-N 0 3 399.579 3.383 40 0 GGABHN CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019499403 570991685 /nfs/dbraw/zinc/99/16/85/570991685.db2.gz UFQHEYFSDRQJJR-MOPGFXCFSA-N 0 3 398.482 3.125 40 0 GGABHN CCC(CC)C(=O)N1CCC[C@H]1CN1Cc2ccccc2OC[C@@H]1CN(C)C ZINC000019500155 570991947 /nfs/dbraw/zinc/99/19/47/570991947.db2.gz ZFACJXXJYFWJHY-SFTDATJTSA-N 0 3 387.568 3.238 40 0 GGABHN CCCN1C[C@H](NC(=O)Cc2cccc(OC)c2)[C@@H](c2ccc(OC)cc2)C1 ZINC000019503499 570993354 /nfs/dbraw/zinc/99/33/54/570993354.db2.gz FSRBNUGRDZUIPT-YADHBBJMSA-N 0 3 382.504 3.241 40 0 GGABHN CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCCC[C@@H]3CN(C)C)cc2N1 ZINC000019520565 570994137 /nfs/dbraw/zinc/99/41/37/570994137.db2.gz LDFSAPZZDYXCOY-UMVBOHGHSA-N 0 3 387.450 3.137 40 0 GGABHN CCOc1ccccc1CN1CCC[C@@H](Cn2nnc(-c3ccncc3)n2)C1 ZINC000019520183 570994177 /nfs/dbraw/zinc/99/41/77/570994177.db2.gz HUCNEBXUOZNNAP-QGZVFWFLSA-N 0 3 378.480 3.046 40 0 GGABHN CCn1cc(CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)c(C)n1 ZINC000019524527 570996264 /nfs/dbraw/zinc/99/62/64/570996264.db2.gz QCMAPYMZCIRTPP-UHFFFAOYSA-N 0 3 378.524 3.082 40 0 GGABHN CCCn1nc(C)c(-c2cc(C(=O)N[C@H](C)CN3CCCCCC3)[nH]n2)c1C ZINC000019525851 570997294 /nfs/dbraw/zinc/99/72/94/570997294.db2.gz QAZGUVUQVKXYRW-OAHLLOKOSA-N 0 3 386.544 3.294 40 0 GGABHN CCN1CCC[C@H]1CN(Cc1ccnn1[C@@H]1CCCCO1)Cc1ccccn1 ZINC000019527172 570997712 /nfs/dbraw/zinc/99/77/12/570997712.db2.gz OZTWTTDLLHEPNA-UNMCSNQZSA-N 0 3 383.540 3.464 40 0 GGABHN CCOc1ccc(CN2CC[C@](O)(c3ccccc3)C2)cc1Cn1ccnc1 ZINC000019533671 570999533 /nfs/dbraw/zinc/99/95/33/570999533.db2.gz PLGGUOCZRLHCDZ-HSZRJFAPSA-N 0 3 377.488 3.424 40 0 GGABHN CCOc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc1OC ZINC000019533794 570999559 /nfs/dbraw/zinc/99/95/59/570999559.db2.gz SCHKRMQKCZLIMZ-QGZVFWFLSA-N 0 3 395.507 3.407 40 0 GGABHN COc1cc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc(OC)c1OC ZINC000019549664 571000192 /nfs/dbraw/zinc/00/01/92/571000192.db2.gz SPYCHCAOZYOOIB-LIMIJEPZSA-N 0 3 398.503 3.227 40 0 GGABHN COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)C2CC2)c1 ZINC000019552614 571002111 /nfs/dbraw/zinc/00/21/11/571002111.db2.gz IEDITRMVXZINRA-LEWJYISDSA-N 0 3 380.488 3.198 40 0 GGABHN Cc1nn(CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c(C)c1C ZINC000019556526 571003544 /nfs/dbraw/zinc/00/35/44/571003544.db2.gz RLRFIARPVZWPOB-KCZVDYSFSA-N 0 3 384.499 3.036 40 0 GGABHN COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1OC ZINC000019561249 571005971 /nfs/dbraw/zinc/00/59/71/571005971.db2.gz ZBBRDAAUTMXYQG-UZLBHIALSA-N 0 3 376.403 3.092 40 0 GGABHN COc1ccc2nc(CN3CC[C@H](c4nnc(-c5cnccn5)o4)C3)ccc2c1 ZINC000019563680 571006334 /nfs/dbraw/zinc/00/63/34/571006334.db2.gz VHMJCHROPRVZIG-HNNXBMFYSA-N 0 3 388.431 3.073 40 0 GGABHN Cc1c2ccccc2oc1C(=O)N1CC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019566021 571007510 /nfs/dbraw/zinc/00/75/10/571007510.db2.gz SDCCCXAZRDZVRA-HNNXBMFYSA-N 0 3 376.460 3.149 40 0 GGABHN Cc1c2ccccc2oc1CN1C[C@@H](c2cccnc2)[C@]2(C1)COCCC(=O)N2 ZINC000019566418 571007913 /nfs/dbraw/zinc/00/79/13/571007913.db2.gz ANQWVSLFIHMUIG-CVDCTZTESA-N 0 3 391.471 3.011 40 0 GGABHN Cc1cc(C)cc(O[C@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)c1 ZINC000019569723 571009825 /nfs/dbraw/zinc/00/98/25/571009825.db2.gz RXMCSTNJQZDPOY-UTKZUKDTSA-N 0 3 394.519 3.260 40 0 GGABHN COc1ccccc1CN1CCC([C@H](NC(=O)C(F)F)c2ccccn2)CC1 ZINC000019570087 571009832 /nfs/dbraw/zinc/00/98/32/571009832.db2.gz AWTGMRRKGAKUFV-IBGZPJMESA-N 0 3 389.446 3.425 40 0 GGABHN Cc1c(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)c2ccccc2n1C ZINC000019581730 571013446 /nfs/dbraw/zinc/01/34/46/571013446.db2.gz RCDNGXLZIUWIEK-FQEVSTJZSA-N 0 3 389.503 3.242 40 0 GGABHN CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2S(=O)(=O)c1cccnc1 ZINC000019589120 571016648 /nfs/dbraw/zinc/01/66/48/571016648.db2.gz DQHWZAKLLKANEV-HBMCJLEFSA-N 0 3 385.533 3.113 40 0 GGABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCn1ccccc1=O ZINC000019590183 571017458 /nfs/dbraw/zinc/01/74/58/571017458.db2.gz AZLJAKXJDYXSLP-PQNGQFLHSA-N 0 3 393.531 3.107 40 0 GGABHN CN1CCc2nc([C@@H]3CCCN3C(=O)CCc3ccc(Cl)cc3)ncc2C1 ZINC000019590504 571018005 /nfs/dbraw/zinc/01/80/05/571018005.db2.gz DXDWFNPUGHGLHQ-IBGZPJMESA-N 0 3 384.911 3.414 40 0 GGABHN CN1CCc2nc([C@@H]3CCN(C(=O)c4csc5c4CCCC5)C3)ncc2C1 ZINC000019590646 571018032 /nfs/dbraw/zinc/01/80/32/571018032.db2.gz ILPPVHZOTQHZNV-CQSZACIVSA-N 0 3 382.533 3.035 40 0 GGABHN CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CCN(C)CC1 ZINC000019655142 571022743 /nfs/dbraw/zinc/02/27/43/571022743.db2.gz OMZWQAGKRQMGDD-UHFFFAOYSA-N 0 3 398.473 3.260 40 0 GGABHN COc1ccc2[nH]c(C(=O)NCC(C)(C)N3CCCCC3)c(NC(C)=O)c2c1 ZINC000019656466 571023360 /nfs/dbraw/zinc/02/33/60/571023360.db2.gz SCRZANPMQUTDMX-UHFFFAOYSA-N 0 3 386.496 3.129 40 0 GGABHN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCCCN2CC2CC2)n1 ZINC000019687703 571028547 /nfs/dbraw/zinc/02/85/47/571028547.db2.gz ZCHHLDLFBRPISB-IBGZPJMESA-N 0 3 379.508 3.246 40 0 GGABHN CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000019693972 571029759 /nfs/dbraw/zinc/02/97/59/571029759.db2.gz GEQPNCXNYJNRFU-IBGZPJMESA-N 0 3 376.508 3.323 40 0 GGABHN CC(=O)N1CCC[C@H]1c1cc(N2CCN(C(=O)c3ccccc3)CC2)cc(C)n1 ZINC000019698234 571030421 /nfs/dbraw/zinc/03/04/21/571030421.db2.gz GBNRBNAFPPWZDY-QFIPXVFZSA-N 0 3 392.503 3.036 40 0 GGABHN CC(=O)N1CCC[C@@H]1c1cc(N2CCN(CCc3ccccc3)CC2)cc(C)n1 ZINC000019698265 571030582 /nfs/dbraw/zinc/03/05/82/571030582.db2.gz KGPKQACOHFFDBR-XMMPIXPASA-N 0 3 392.547 3.438 40 0 GGABHN CC(=O)N1CCC[C@H]1c1cc(N2CCN(C(=O)CC3CCCC3)CC2)cc(C)n1 ZINC000019698026 571030597 /nfs/dbraw/zinc/03/05/97/571030597.db2.gz ALCPOAYXODZOEH-QFIPXVFZSA-N 0 3 398.551 3.302 40 0 GGABHN CC(=O)N1CCc2nnc(C3CCN(Cc4ccc(C(C)C)cc4)CC3)n2CC1 ZINC000019708966 571033308 /nfs/dbraw/zinc/03/33/08/571033308.db2.gz LRVWUDOWGPPAOB-UHFFFAOYSA-N 0 3 395.551 3.186 40 0 GGABHN O=C(c1cnn2c1nc(C1CC1)cc2C(F)F)N1CCC[C@@H](N2CCCC2)C1 ZINC000019715342 571037343 /nfs/dbraw/zinc/03/73/43/571037343.db2.gz WITGBKNOXPCXQI-CQSZACIVSA-N 0 3 389.450 3.245 40 0 GGABHN Cc1nn(C)cc1-c1cc(C(=O)N[C@H](C)CN2CCCC2)c2ccccc2n1 ZINC000019716524 571038203 /nfs/dbraw/zinc/03/82/03/571038203.db2.gz JWPYTDUDZKSPQD-OAHLLOKOSA-N 0 3 377.492 3.158 40 0 GGABHN CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccc(C)o1)CC2 ZINC000096037017 571096569 /nfs/dbraw/zinc/09/65/69/571096569.db2.gz OYOYMMLGUFNUEU-UHFFFAOYSA-N 0 3 394.523 3.012 40 0 GGABHN Cc1ccc(CN2CCC3(CC2)CNS(=O)(=O)c2ccccc2OC3)s1 ZINC000096037116 571096631 /nfs/dbraw/zinc/09/66/31/571096631.db2.gz DXBZRDBLRHNIBI-UHFFFAOYSA-N 0 3 392.546 3.010 40 0 GGABHN COc1ccc(CN2CC[C@@]3(C2)CCCN(C(=O)Cc2cccnc2)C3)cc1 ZINC000096047123 571097177 /nfs/dbraw/zinc/09/71/77/571097177.db2.gz ATFGHIWOOIWINY-HSZRJFAPSA-N 0 3 379.504 3.147 40 0 GGABHN COc1ccc(CN2CCC3(C[C@@H](N(C)Cc4ccncc4)CO3)CC2)cc1 ZINC000096048084 571097293 /nfs/dbraw/zinc/09/72/93/571097293.db2.gz OCXDMJWKECLHSG-OAQYLSRUSA-N 0 3 381.520 3.346 40 0 GGABHN COc1ccc(CN2CCC3(C[C@H](N(C)Cc4ccncc4)CO3)CC2)cc1 ZINC000096048085 571097305 /nfs/dbraw/zinc/09/73/05/571097305.db2.gz OCXDMJWKECLHSG-NRFANRHFSA-N 0 3 381.520 3.346 40 0 GGABHN CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21 ZINC000096052614 571097635 /nfs/dbraw/zinc/09/76/35/571097635.db2.gz YDLJGLCUMBLQBY-IBGZPJMESA-N 0 3 380.536 3.356 40 0 GGABHN Cn1cc(CN2CCC3(C[C@@H](CC(=O)NCC4CC4)c4ccccc43)CC2)cn1 ZINC000096052668 571097673 /nfs/dbraw/zinc/09/76/73/571097673.db2.gz CPEFLDLQYXRYRM-HXUWFJFHSA-N 0 3 392.547 3.358 40 0 GGABHN CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1ccc(C)o1)CCC2 ZINC000096056043 571098021 /nfs/dbraw/zinc/09/80/21/571098021.db2.gz NEVDMGFACRCLHJ-AVRDEDQJSA-N 0 3 383.492 3.265 40 0 GGABHN CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096056040 571098133 /nfs/dbraw/zinc/09/81/33/571098133.db2.gz CRWZLBKLDHUPAG-RXVVDRJESA-N 0 3 385.533 3.425 40 0 GGABHN COc1ccc(CN2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)cc1 ZINC000096056426 571098452 /nfs/dbraw/zinc/09/84/52/571098452.db2.gz BYFXHSCOYPAHCK-YPAWHYETSA-N 0 3 375.509 3.260 40 0 GGABHN COC(=O)CCC(=O)N1CCC[C@@]2(CCCN2Cc2ccc(Cl)cc2)C1 ZINC000096071315 571098459 /nfs/dbraw/zinc/09/84/59/571098459.db2.gz IWVZJHZMFFHJNR-HXUWFJFHSA-N 0 3 378.900 3.250 40 0 GGABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(Cc2csc(C)n2)[C@H]3C)o1 ZINC000096062284 571098518 /nfs/dbraw/zinc/09/85/18/571098518.db2.gz PLZNTAAHBZUJEL-HNNXBMFYSA-N 0 3 389.521 3.135 40 0 GGABHN CC(=O)NCCn1nc([C@H]2CCCN(Cc3ccccc3F)C2)c2cccnc21 ZINC000012219527 1399033942 /nfs/dbraw/zinc/03/39/42/1399033942.db2.gz ITDJZSPJKAAPCZ-SFHVURJKSA-N 0 3 395.482 3.086 40 0 GGABHN CC(=O)NCCn1nc([C@@H]2CCCN(Cc3ccccc3F)C2)c2cccnc21 ZINC000012219526 1399034189 /nfs/dbraw/zinc/03/41/89/1399034189.db2.gz ITDJZSPJKAAPCZ-GOSISDBHSA-N 0 3 395.482 3.086 40 0 GGABHN CCOc1cc(CN2CCC[C@H]2c2ccc(OC)cc2)ccc1OCC(N)=O ZINC000015836985 1399197053 /nfs/dbraw/zinc/19/70/53/1399197053.db2.gz LKLPEOFUTHCLNO-IBGZPJMESA-N 0 3 384.476 3.295 40 0 GGABHN O=C(NCc1ccccc1)[C@@]1(Cc2ccccn2)CN(C2CCCCC2)CCO1 ZINC000019700907 1399334922 /nfs/dbraw/zinc/33/49/22/1399334922.db2.gz QWIHXERJEPBCMH-XMMPIXPASA-N 0 3 393.531 3.344 40 0 GGABHN Cc1nn(C)cc1CN1[C@H](Cc2cccc(F)c2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713883 1399337573 /nfs/dbraw/zinc/33/75/73/1399337573.db2.gz RRDCUIPEVSLSTD-QHAWAJNXSA-N 0 3 384.499 3.112 40 0 GGABHN CNCc1cc(NC)nc([C@H]2CCCN2C(=O)C(C)(C)c2ccc(C)cc2)n1 ZINC000019760580 1399337883 /nfs/dbraw/zinc/33/78/83/1399337883.db2.gz IVLJPRZCXKEBIQ-GOSISDBHSA-N 0 3 381.524 3.187 40 0 GGABHN CNCc1cc(NC)nc([C@@H]2CCCN2C(=O)CCCc2ccc(F)c(C)c2)n1 ZINC000019760599 1399337909 /nfs/dbraw/zinc/33/79/09/1399337909.db2.gz QABRJOGUTGCUCI-IBGZPJMESA-N 0 3 399.514 3.372 40 0 GGABHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)NCc3cccs3)c(C)c2)CC1 ZINC000056170336 1407239029 /nfs/dbraw/zinc/23/90/29/1407239029.db2.gz YTVCZDISIDSITH-KRWDZBQOSA-N 0 3 386.565 3.315 40 0 GGABHN CCOc1ccc([C@@H](N)c2n[nH]c(COc3ccc(Cl)cc3)n2)cc1OC ZINC000095534219 1410315673 /nfs/dbraw/zinc/31/56/73/1410315673.db2.gz IVZGUGAHEIWRMT-GOSISDBHSA-N 0 3 388.855 3.493 40 0 GGABHN O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@H+](C[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000247951318 1433758315 /nfs/dbraw/zinc/75/83/15/1433758315.db2.gz SWAILVFTAAUJJV-SJLPKXTDSA-N 0 3 396.535 3.013 40 0 GGABHN O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@@H+](C[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000247951318 1433758323 /nfs/dbraw/zinc/75/83/23/1433758323.db2.gz SWAILVFTAAUJJV-SJLPKXTDSA-N 0 3 396.535 3.013 40 0 GGABHN O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@H+](C[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000247951315 1433758409 /nfs/dbraw/zinc/75/84/09/1433758409.db2.gz SWAILVFTAAUJJV-AEFFLSMTSA-N 0 3 396.535 3.013 40 0 GGABHN O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@@H+](C[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000247951315 1433758414 /nfs/dbraw/zinc/75/84/14/1433758414.db2.gz SWAILVFTAAUJJV-AEFFLSMTSA-N 0 3 396.535 3.013 40 0 GGABHN CC(C)[N@@H+]1CCc2nc(C3CCN(C(=O)[C@H]4[C@@H]5CCCC[C@@H]54)CC3)[n-]c(=O)c2C1 ZINC000248141581 1433773706 /nfs/dbraw/zinc/77/37/06/1433773706.db2.gz CEZGFZZIOVKERE-YRWFTTLQSA-N 0 3 398.551 3.091 40 0 GGABHN CC(C)[N@H+]1CCc2nc(C3CCN(C(=O)[C@H]4[C@@H]5CCCC[C@@H]54)CC3)[n-]c(=O)c2C1 ZINC000248141581 1433773711 /nfs/dbraw/zinc/77/37/11/1433773711.db2.gz CEZGFZZIOVKERE-YRWFTTLQSA-N 0 3 398.551 3.091 40 0 GGABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@@H]1C2 ZINC000306142382 209109271 /nfs/dbraw/zinc/10/92/71/209109271.db2.gz WYCGDOUCNOMSHO-LSDHHAIUSA-N 0 3 397.479 3.035 40 0 GGABHN COc1ccc(CN2CC[C@@]3(C2)COCC[C@H]3NC(=O)Cc2ccccc2)cc1 ZINC000306144699 209109255 /nfs/dbraw/zinc/10/92/55/209109255.db2.gz ZMNLKWUIJXDTHN-ISKFKSNPSA-N 0 3 394.515 3.035 40 0 GGABHN Fc1ccc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306142811 209108405 /nfs/dbraw/zinc/10/84/05/209108405.db2.gz XKPXEKUAJOVTDL-GOSISDBHSA-N 0 3 395.482 3.085 40 0 GGABHN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000028632089 206254995 /nfs/dbraw/zinc/25/49/95/206254995.db2.gz UNUKHAWJCVUVAK-FQEVSTJZSA-N 0 3 385.508 3.206 40 0 GGABHN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN(CCO)Cc1ccccc1)C2 ZINC000035075016 206257058 /nfs/dbraw/zinc/25/70/58/206257058.db2.gz XDIUUVWHZNDBSJ-SRUXOGRHSA-N 0 3 375.553 3.463 40 0 GGABHN CCN1CCN(c2ccc(NC(=O)c3cccc(OC(C)C)c3)cc2N)CC1 ZINC000226263632 206258227 /nfs/dbraw/zinc/25/82/27/206258227.db2.gz ZZNFMHVWLGQGBE-UHFFFAOYSA-N 0 3 382.508 3.450 40 0 GGABHN COc1ccc(NC(=O)NC[C@H]2CN(C)C[C@H]2c2cccs2)c(OC)c1 ZINC000252516587 206281341 /nfs/dbraw/zinc/28/13/41/206281341.db2.gz USEKERMIMZQSRT-DZGCQCFKSA-N 0 3 375.494 3.232 40 0 GGABHN Cc1ccc2c(CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)cc(=O)oc2c1C ZINC000036632746 206305136 /nfs/dbraw/zinc/30/51/36/206305136.db2.gz BCDYEECJAUMWDJ-FUHWJXTLSA-N 0 3 376.456 3.191 40 0 GGABHN O=C1CC[C@](c2ccccc2)(C2CCN(Cc3ccc(F)cc3)CC2)C(=O)N1 ZINC000001664583 206388953 /nfs/dbraw/zinc/38/89/53/206388953.db2.gz VTMACVBTDNAUST-QHCPKHFHSA-N 0 3 380.463 3.412 40 0 GGABHN CN1[C@@H](c2ccccc2)NC(=O)C12CCN(CCCC(=O)c1ccccc1)CC2 ZINC000001668995 206389143 /nfs/dbraw/zinc/38/91/43/206389143.db2.gz BRESVUOBHRLSOB-QFIPXVFZSA-N 0 3 391.515 3.245 40 0 GGABHN Cc1ccc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)s1 ZINC000306138978 209106413 /nfs/dbraw/zinc/10/64/13/209106413.db2.gz SMEWWWIUIAYCSY-KRWDZBQOSA-N 0 3 397.548 3.315 40 0 GGABHN Cc1ncsc1CN1CC[C@@]2(C1)CN(Cc1cccnc1)c1cccnc12 ZINC000306139294 209106448 /nfs/dbraw/zinc/10/64/48/209106448.db2.gz SUBZZNZMQCCMGA-OAQYLSRUSA-N 0 3 377.517 3.405 40 0 GGABHN CC(C)CN1CCO[C@]2(CCCC[C@@H]2NC(=O)C2=NO[C@H](c3ccccc3)C2)C1 ZINC000306139095 209106219 /nfs/dbraw/zinc/10/62/19/209106219.db2.gz SPFOGQUHCDVFME-QNWVGRARSA-N 0 3 399.535 3.290 40 0 GGABHN COc1ccccc1CN(CCN(C)C)C(=O)Cc1nc2cc(C)ccc2[nH]1 ZINC000012117035 206858052 /nfs/dbraw/zinc/85/80/52/206858052.db2.gz KYCMJGFAKRVLBS-UHFFFAOYSA-N 0 3 380.492 3.013 40 0 GGABHN COc1ccccc1CN(CCN(C)C)C(=O)Cc1nc2ccc(C)cc2[nH]1 ZINC000012117035 206858056 /nfs/dbraw/zinc/85/80/56/206858056.db2.gz KYCMJGFAKRVLBS-UHFFFAOYSA-N 0 3 380.492 3.013 40 0 GGABHN Cc1nn(C)c2nc(-c3ccc(C)cc3)cc(C(=O)N3CCN4CCC[C@@H]4C3)c12 ZINC000036613352 207047707 /nfs/dbraw/zinc/04/77/07/207047707.db2.gz NBGXYZMCKTYZLH-GOSISDBHSA-N 0 3 389.503 3.172 40 0 GGABHN CCOc1cc(CN[C@@H](C)C(C)(C)C)c(Br)cc1OCC(N)=O ZINC000036612931 207048589 /nfs/dbraw/zinc/04/85/89/207048589.db2.gz HCWALIPJYODTAF-NSHDSACASA-N 0 3 387.318 3.236 40 0 GGABHN CN1CCc2nc([C@@H]3CCCN(C(=O)C(C)(C)c4ccc(F)cc4)C3)ncc2C1 ZINC000019085038 207102881 /nfs/dbraw/zinc/10/28/81/207102881.db2.gz ZQLHDULFLLYKLS-MRXNPFEDSA-N 0 3 396.510 3.287 40 0 GGABHN COc1cccc(CN2CCC(n3nnc4c3nc(C(C)(C)C)[nH]c4=O)CC2)c1 ZINC000019084696 207103542 /nfs/dbraw/zinc/10/35/42/207103542.db2.gz GBBDMSNRWVEQBO-UHFFFAOYSA-N 0 3 396.495 3.070 40 0 GGABHN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1 ZINC000019132724 207104394 /nfs/dbraw/zinc/10/43/94/207104394.db2.gz NOYKNBWGDUAAKS-YLJYHZDGSA-N 0 3 394.519 3.212 40 0 GGABHN Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019135925 207104479 /nfs/dbraw/zinc/10/44/79/207104479.db2.gz FNCBIJOFLONZGR-IEBWSBKVSA-N 0 3 378.520 3.283 40 0 GGABHN Cc1ccc([C@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019135937 207104768 /nfs/dbraw/zinc/10/47/68/207104768.db2.gz FNCBIJOFLONZGR-HKUYNNGSSA-N 0 3 378.520 3.283 40 0 GGABHN COc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1 ZINC000019129208 207104899 /nfs/dbraw/zinc/10/48/99/207104899.db2.gz OMSCNFOEFXNQSU-INIZCTEOSA-N 0 3 381.480 3.017 40 0 GGABHN Cc1cc2c(cc1Br)[C@@H](O)[C@@](CN1CCCC1)(N1CCCC1)CO2 ZINC000019203036 207105636 /nfs/dbraw/zinc/10/56/36/207105636.db2.gz XKOJYNYWQJNWBN-MOPGFXCFSA-N 0 3 395.341 3.114 40 0 GGABHN Cc1ccc(C2(O)C[C@H]3CC[C@@H](C2)N3Cc2ccnc(N3CCCC3)n2)cc1 ZINC000019208466 207106178 /nfs/dbraw/zinc/10/61/78/207106178.db2.gz GJUFGNVILZJAAL-TYABSZSSSA-N 0 3 378.520 3.400 40 0 GGABHN Cc1ccc2c(CC(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)coc2c1 ZINC000019221609 207107214 /nfs/dbraw/zinc/10/72/14/207107214.db2.gz QKBOKYCEAHZSNG-FQEVSTJZSA-N 0 3 390.487 3.425 40 0 GGABHN Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019220059 207107309 /nfs/dbraw/zinc/10/73/09/207107309.db2.gz QJORSCOZPVQCHA-OAQYLSRUSA-N 0 3 389.503 3.127 40 0 GGABHN Cc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C5CCOCC5)cc4n3)C2)o1 ZINC000019216616 207107810 /nfs/dbraw/zinc/10/78/10/207107810.db2.gz FGVAPFUMGZOTRM-QGZVFWFLSA-N 0 3 395.507 3.487 40 0 GGABHN CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCCN(Cc3ccncc3C)C2)C1 ZINC000019239509 207112142 /nfs/dbraw/zinc/11/21/42/207112142.db2.gz JSTZTLMGBSLWOX-OFNKIYASSA-N 0 3 379.504 3.412 40 0 GGABHN Cc1nc(C)n(CCC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)n1 ZINC000019285996 207112615 /nfs/dbraw/zinc/11/26/15/207112615.db2.gz UHUPTJVIWVTUMF-MQSCRBSSSA-N 0 3 395.551 3.154 40 0 GGABHN O=C(N1CCC[C@@H]1c1ncc2c(n1)CCNC2)C1(c2cccc(F)c2)CCCC1 ZINC000019293623 207115305 /nfs/dbraw/zinc/11/53/05/207115305.db2.gz HCWHJOIBQINCRQ-HXUWFJFHSA-N 0 3 394.494 3.437 40 0 GGABHN O=C(c1cc2c(s1)CCCC2)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019292474 207115338 /nfs/dbraw/zinc/11/53/38/207115338.db2.gz SETJDIABBWRAGZ-UHFFFAOYSA-N 0 3 382.533 3.082 40 0 GGABHN O=C(Cc1ccc2c(c1)CCCC2)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019345652 207116351 /nfs/dbraw/zinc/11/63/51/207116351.db2.gz KKLWSKVARRHFTH-QFIPXVFZSA-N 0 3 390.531 3.297 40 0 GGABHN O=C(Cc1ccc2c(c1)CCCC2)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019345650 207116622 /nfs/dbraw/zinc/11/66/22/207116622.db2.gz KKLWSKVARRHFTH-JOCHJYFZSA-N 0 3 390.531 3.297 40 0 GGABHN O=C(c1ccc2c(c1)CCCC2)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019345493 207117097 /nfs/dbraw/zinc/11/70/97/207117097.db2.gz KBJDPRXGXZKYDH-UHFFFAOYSA-N 0 3 376.504 3.021 40 0 GGABHN O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019369494 207117847 /nfs/dbraw/zinc/11/78/47/207117847.db2.gz VPHXSSVTFGJCBO-HXUWFJFHSA-N 0 3 398.510 3.270 40 0 GGABHN O=C(N[C@H](c1nccs1)[C@H]1CCCN(CC2=CCCOC2)C1)c1ccccn1 ZINC000019400313 207119518 /nfs/dbraw/zinc/11/95/18/207119518.db2.gz ANOGUDGDFXJISU-HKUYNNGSSA-N 0 3 398.532 3.068 40 0 GGABHN O=C(N[C@@H](c1nccs1)[C@H]1CCCN(CC2=CCCOC2)C1)c1ccccn1 ZINC000019400315 207120233 /nfs/dbraw/zinc/12/02/33/207120233.db2.gz ANOGUDGDFXJISU-PKOBYXMFSA-N 0 3 398.532 3.068 40 0 GGABHN O=C(N[C@H]1CCCOC1)c1cc(C2CCN(CCc3ccccc3)CC2)no1 ZINC000019371241 207120372 /nfs/dbraw/zinc/12/03/72/207120372.db2.gz ZEPKSUXGARQWAH-IBGZPJMESA-N 0 3 383.492 3.006 40 0 GGABHN CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000019498172 207124463 /nfs/dbraw/zinc/12/44/63/207124463.db2.gz IXSKRTKXRLKOJA-HJPURHCSSA-N 0 3 379.504 3.494 40 0 GGABHN CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019499405 207124930 /nfs/dbraw/zinc/12/49/30/207124930.db2.gz UFQHEYFSDRQJJR-OALUTQOASA-N 0 3 398.482 3.125 40 0 GGABHN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN(C(=O)C5CC5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495957 207125673 /nfs/dbraw/zinc/12/56/73/207125673.db2.gz SDPXNBQRUMAAJY-IIIMJFFVSA-N 0 3 398.551 3.235 40 0 GGABHN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN(C(=O)C5CC5)C4)[n-]c(=O)c3C2)CC1 ZINC000019495957 207125678 /nfs/dbraw/zinc/12/56/78/207125678.db2.gz SDPXNBQRUMAAJY-IIIMJFFVSA-N 0 3 398.551 3.235 40 0 GGABHN CCOc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019520089 207126777 /nfs/dbraw/zinc/12/67/77/207126777.db2.gz UNXCDBPNZCCAFQ-LJQANCHMSA-N 0 3 380.492 3.231 40 0 GGABHN CCn1ncc(-c2cc(C(=O)NC3(CN4CCCC4)CCCCC3)on2)c1C ZINC000019524065 207128928 /nfs/dbraw/zinc/12/89/28/207128928.db2.gz LSJWYTDINUHHED-UHFFFAOYSA-N 0 3 385.512 3.395 40 0 GGABHN CCc1ccc(CN2[C@@H]3CCC[C@H]2CC(O)(Cn2nc(C(C)C)ccc2=O)C3)o1 ZINC000019522916 207129171 /nfs/dbraw/zinc/12/91/71/207129171.db2.gz XVKMKYABVOVGCG-NHJWOMDBSA-N 0 3 399.535 3.470 40 0 GGABHN COc1cc2c(cc1CN1CC[C@H](c3nnc(-c4cnccn4)o3)C1)CCCC2 ZINC000019550540 207129821 /nfs/dbraw/zinc/12/98/21/207129821.db2.gz FFZXVIGXMLZZTQ-KRWDZBQOSA-N 0 3 391.475 3.404 40 0 GGABHN CCOCc1cc(CN2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)ccc1OC ZINC000019531091 207130383 /nfs/dbraw/zinc/13/03/83/207130383.db2.gz UDTFFOJGEREVHY-NOXFTYBFSA-N 0 3 382.504 3.356 40 0 GGABHN CCOc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)OCO2 ZINC000019532509 207130472 /nfs/dbraw/zinc/13/04/72/207130472.db2.gz GTADXUARAZSLPE-XAEMIUIASA-N 0 3 396.487 3.247 40 0 GGABHN CC(C)c1cc(C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)[nH]n1 ZINC000019451718 207120939 /nfs/dbraw/zinc/12/09/39/207120939.db2.gz KLGCOODHSBHPSY-UHFFFAOYSA-N 0 3 382.508 3.469 40 0 GGABHN CC1(C)Cc2nc(C3CCN(C[C@@H](O)c4ccccc4)CC3)ncc2[C@@H](O)C1 ZINC000019461365 207123287 /nfs/dbraw/zinc/12/32/87/207123287.db2.gz OUHYGBOHEDGUPR-LEWJYISDSA-N 0 3 381.520 3.395 40 0 GGABHN COc1ccc2c(c1)C=C(CN1C[C@H]3CCC[C@@H](C1)C3(O)c1cccnc1)CO2 ZINC000019562248 207134780 /nfs/dbraw/zinc/13/47/80/207134780.db2.gz WBAAFYBPNUQYEN-SVGJNIJCSA-N 0 3 392.499 3.486 40 0 GGABHN Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)c1 ZINC000019569720 207135450 /nfs/dbraw/zinc/13/54/50/207135450.db2.gz RXMCSTNJQZDPOY-LAUBAEHRSA-N 0 3 394.519 3.260 40 0 GGABHN COc1cccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019565067 207136023 /nfs/dbraw/zinc/13/60/23/207136023.db2.gz BYJZAAWVGVCZKQ-BHYGNILZSA-N 0 3 395.429 3.487 40 0 GGABHN COc1cccc2c1OC[C@H](C(=O)Nc1ccc(OCCN3CCCC3)cc1)C2 ZINC000019568342 207136556 /nfs/dbraw/zinc/13/65/56/207136556.db2.gz LGPQTHINCZAXKQ-GOSISDBHSA-N 0 3 396.487 3.360 40 0 GGABHN COc1ccccc1CCNCc1cc2c(C)nn(-c3ccccc3)c2[nH]c1=O ZINC000019565316 207136909 /nfs/dbraw/zinc/13/69/09/207136909.db2.gz OZUAZTHVIUZOQE-UHFFFAOYSA-N 0 3 388.471 3.363 40 0 GGABHN Cc1c2ccccc2oc1C(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019566018 207137172 /nfs/dbraw/zinc/13/71/72/207137172.db2.gz SDCCCXAZRDZVRA-OAHLLOKOSA-N 0 3 376.460 3.149 40 0 GGABHN COc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)c(C)c1C ZINC000019577284 207137641 /nfs/dbraw/zinc/13/76/41/207137641.db2.gz XFHRIBAZPAHGHO-LJQANCHMSA-N 0 3 390.487 3.447 40 0 GGABHN COc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)c(C)c1C ZINC000019577284 207137646 /nfs/dbraw/zinc/13/76/46/207137646.db2.gz XFHRIBAZPAHGHO-LJQANCHMSA-N 0 3 390.487 3.447 40 0 GGABHN Cc1n[nH]c(C)c1CCC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019578854 207138369 /nfs/dbraw/zinc/13/83/69/207138369.db2.gz MSJKJUVEWHBPMQ-UHFFFAOYSA-N 0 3 396.535 3.281 40 0 GGABHN CN(C(=O)COc1ccccc1)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586654 207139100 /nfs/dbraw/zinc/13/91/00/207139100.db2.gz UFJIDLHKLOBALV-UHFFFAOYSA-N 0 3 380.488 3.387 40 0 GGABHN Cc1oc2c(c1C(=O)N1CCc3nc([C@H]4CCCN(C)C4)ncc3C1)CCCC2 ZINC000019581272 207139215 /nfs/dbraw/zinc/13/92/15/207139215.db2.gz UVVNRHKICYOCEB-INIZCTEOSA-N 0 3 394.519 3.265 40 0 GGABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccc(F)cc2)C3)CC1 ZINC000019588263 207139264 /nfs/dbraw/zinc/13/92/64/207139264.db2.gz HXMYJDRFAGAWJH-UHFFFAOYSA-N 0 3 396.510 3.333 40 0 GGABHN Cc1noc(C)c1CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C ZINC000019580778 207139701 /nfs/dbraw/zinc/13/97/01/207139701.db2.gz AYYYOXBMHCYOMN-KCZVDYSFSA-N 0 3 385.483 3.452 40 0 GGABHN COc1cc2c(cc1CN1CC[C@@H](c3nnc(-c4cnccn4)o3)C1)CCCC2 ZINC000019550538 207131599 /nfs/dbraw/zinc/13/15/99/207131599.db2.gz FFZXVIGXMLZZTQ-QGZVFWFLSA-N 0 3 391.475 3.404 40 0 GGABHN CCOc1ccc(CN2CCC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)cc1 ZINC000019533247 207131633 /nfs/dbraw/zinc/13/16/33/207131633.db2.gz CEDZQJQYQDUPBN-LJQANCHMSA-N 0 3 394.519 3.160 40 0 GGABHN COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2NCc2ccc3ncccc3c2)c1 ZINC000019552655 207131906 /nfs/dbraw/zinc/13/19/06/207131906.db2.gz PQNDQJJPLQYFFM-IRLDBZIGSA-N 0 3 379.435 3.492 40 0 GGABHN Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000019698140 207148160 /nfs/dbraw/zinc/14/81/60/207148160.db2.gz KUROQAUGZWUPNZ-HSZRJFAPSA-N 0 3 392.547 3.438 40 0 GGABHN CCCc1cc(C(=O)N2CCC[C@@H]2c2cc(N3CCN(C)CC3)cc(C)n2)no1 ZINC000019698346 207148791 /nfs/dbraw/zinc/14/87/91/207148791.db2.gz SGRNAKIWJDPEEI-OAQYLSRUSA-N 0 3 397.523 3.060 40 0 GGABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(Cc1c(C)cc(OC)c(C)c1C)C2 ZINC000019707469 207149623 /nfs/dbraw/zinc/14/96/23/207149623.db2.gz BRDKHOQGRRLFTA-IBGZPJMESA-N 0 3 395.551 3.435 40 0 GGABHN O=C(c1ccccc1-c1ccccc1)N1CCC[C@H]1c1nnc2n1CCNCC2 ZINC000019706368 207150442 /nfs/dbraw/zinc/15/04/42/207150442.db2.gz SMUHDWQGWKFHKU-FQEVSTJZSA-N 0 3 387.487 3.068 40 0 GGABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)CCc2ccc(Cl)cc2)C3)CC1 ZINC000019588272 207140304 /nfs/dbraw/zinc/14/03/04/207140304.db2.gz FIYJKLBIFBSIGL-UHFFFAOYSA-N 0 3 398.938 3.457 40 0 GGABHN COc1ccc([C@H]2CN(C)[C@@H]3CCCN(C(=O)Cc4ccccc4OC)[C@@H]32)cc1 ZINC000019590788 207140823 /nfs/dbraw/zinc/14/08/23/207140823.db2.gz OAPKUDUSXIXTGB-PQNGQFLHSA-N 0 3 394.515 3.335 40 0 GGABHN COc1ccc(CCC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019590286 207141058 /nfs/dbraw/zinc/14/10/58/207141058.db2.gz MSYDWRKPKBCXNA-OAQYLSRUSA-N 0 3 394.519 3.160 40 0 GGABHN CN1CCc2nc([C@H]3CCCN(C(=O)c4cc5ccccc5o4)C3)ncc2C1 ZINC000019590443 207141100 /nfs/dbraw/zinc/14/11/00/207141100.db2.gz BRLZYBJTDHECOF-INIZCTEOSA-N 0 3 376.460 3.231 40 0 GGABHN COC(=O)c1ccc(CN2Cc3ccccc3OC3(CCN(C)CC3)C2)cc1 ZINC000019588418 207142254 /nfs/dbraw/zinc/14/22/54/207142254.db2.gz ZFQCGUVZUPZKNQ-UHFFFAOYSA-N 0 3 380.488 3.332 40 0 GGABHN CN1CCc2nc([C@@H]3CCCN(C(=O)CCc4ccc(Cl)cc4)C3)ncc2C1 ZINC000019590388 207142391 /nfs/dbraw/zinc/14/23/91/207142391.db2.gz NBZYYYBFGOKVBT-QGZVFWFLSA-N 0 3 398.938 3.457 40 0 GGABHN CN1CCc2nc([C@@H]3CCCN(C(=O)c4csc5c4CCCC5)C3)ncc2C1 ZINC000019590462 207142715 /nfs/dbraw/zinc/14/27/15/207142715.db2.gz DKWJCUZMOQAMAF-OAHLLOKOSA-N 0 3 396.560 3.425 40 0 GGABHN CNc1ncc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCCN3C)cn1 ZINC000019592363 207143817 /nfs/dbraw/zinc/14/38/17/207143817.db2.gz MSWJJDKKGZIKKB-VAMGGRTRSA-N 0 3 379.508 3.001 40 0 GGABHN Cn1nc(C(=O)Nc2ccnn2C2CCN(C)CC2)cc1-c1ccc(Cl)cc1 ZINC000019660448 207145683 /nfs/dbraw/zinc/14/56/83/207145683.db2.gz CAXCGYKQZSBBAI-UHFFFAOYSA-N 0 3 398.898 3.456 40 0 GGABHN CN1CCC(n2nccc2NC(=O)c2cc(-n3cccn3)ccc2Cl)CC1 ZINC000019665012 207146643 /nfs/dbraw/zinc/14/66/43/207146643.db2.gz GKXVCOJOGSEYGV-UHFFFAOYSA-N 0 3 384.871 3.241 40 0 GGABHN COc1ccccc1CN(C(=O)c1cn2cccc(C)c2n1)C1CCN(C)CC1 ZINC000019665446 207146782 /nfs/dbraw/zinc/14/67/82/207146782.db2.gz RCTLCNFXSKPKJL-UHFFFAOYSA-N 0 3 392.503 3.388 40 0 GGABHN Cc1c(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)cccc1N1CCOCC1 ZINC000019664151 207146953 /nfs/dbraw/zinc/14/69/53/207146953.db2.gz FOHSXSFXVCGLPL-OAQYLSRUSA-N 0 3 393.531 3.051 40 0 GGABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)[C@@H]1CCC(C)=C(C)C1)C2 ZINC000019711333 207151808 /nfs/dbraw/zinc/15/18/08/207151808.db2.gz WCWDHVSJAXJWCD-GOSISDBHSA-N 0 3 397.567 3.349 40 0 GGABHN C[C@H]1CCCCN1Cc1cccc(NC(=O)c2ccc(Cn3cnnn3)cc2)c1 ZINC000019714825 207152262 /nfs/dbraw/zinc/15/22/62/207152262.db2.gz BRYRGRJJWNEVRG-KRWDZBQOSA-N 0 3 390.491 3.348 40 0 GGABHN c1cc(OC2CCCC2)ccc1CN1CCC[C@@H]1c1nnc2n1CCNCC2 ZINC000019710793 207152695 /nfs/dbraw/zinc/15/26/95/207152695.db2.gz IUJVKXWORTZBHH-HXUWFJFHSA-N 0 3 381.524 3.082 40 0 GGABHN COc1ccc(C2(CNC(=O)[C@@H]3CCN3C3CCCCC3)CCOCC2)cc1 ZINC000019717667 207153992 /nfs/dbraw/zinc/15/39/92/207153992.db2.gz KXZAZSODJUNMCW-NRFANRHFSA-N 0 3 386.536 3.267 40 0 GGABHN O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(NCCc2ccccn2)[n-]1 ZINC000019717497 207154029 /nfs/dbraw/zinc/15/40/29/207154029.db2.gz QYNXKLMUINYXFH-UHFFFAOYSA-N 0 3 390.491 3.006 40 0 GGABHN CC1CCN(Cc2cccc(NC(=O)Cn3cnc4sccc4c3=O)c2)CC1 ZINC000019715410 207154570 /nfs/dbraw/zinc/15/45/70/207154570.db2.gz SIYDOUHVOCKBFZ-UHFFFAOYSA-N 0 3 396.516 3.329 40 0 GGABHN Cc1ccnn1Cc1cc(C(=O)N[C@H](C)CN2CCCC2)c2ccccc2n1 ZINC000019716432 207154708 /nfs/dbraw/zinc/15/47/08/207154708.db2.gz JVCBVIPKZFEIQS-MRXNPFEDSA-N 0 3 377.492 3.002 40 0 GGABHN Cc1cccn2cc(C(=O)Nc3ccc([C@H](O)CN4CCCCC4)cc3)nc12 ZINC000019718803 207155588 /nfs/dbraw/zinc/15/55/88/207155588.db2.gz OOLBJDQYBMIJCG-HXUWFJFHSA-N 0 3 378.476 3.414 40 0 GGABHN Cc1cccn2cc(C(=O)Nc3ccc([C@@H](O)CN4CCCCC4)cc3)nc12 ZINC000019718802 207155632 /nfs/dbraw/zinc/15/56/32/207155632.db2.gz OOLBJDQYBMIJCG-FQEVSTJZSA-N 0 3 378.476 3.414 40 0 GGABHN CC(C)(C)[C@H]1CCc2n[nH]c(C(=O)NC3CCN(Cc4ccccn4)CC3)c2C1 ZINC000019718916 207156066 /nfs/dbraw/zinc/15/60/66/207156066.db2.gz BSGGUUHVZMIFCF-INIZCTEOSA-N 0 3 395.551 3.350 40 0 GGABHN CN(C(=O)c1nccc2ccccc21)[C@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC000019745595 207157384 /nfs/dbraw/zinc/15/73/84/207157384.db2.gz RQTZOZUGYVHQHI-IBGZPJMESA-N 0 3 377.492 3.095 40 0 GGABHN CC(C)CNC(=O)c1cc([C@H]2CCN(Cc3ccnn3C)C2)nc2ccccc21 ZINC000019762688 207161033 /nfs/dbraw/zinc/16/10/33/207161033.db2.gz FOHPGHCGPCNKKU-KRWDZBQOSA-N 0 3 391.519 3.344 40 0 GGABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(OC)cc1 ZINC000019819028 207164261 /nfs/dbraw/zinc/16/42/61/207164261.db2.gz ZWIHIZIKIHIXEW-GOSISDBHSA-N 0 3 394.427 3.134 40 0 GGABHN CC(C)(C)OC(=O)N1CCN([C@H](CN)c2ccc(Br)cc2)CC1 ZINC000020179325 207181793 /nfs/dbraw/zinc/18/17/93/207181793.db2.gz JMFUAWTWLKXIEF-OAHLLOKOSA-N 0 3 384.318 3.002 40 0 GGABHN CC(C)(C)OC(=O)N1CCN([C@@H](CN)c2ccc(Br)cc2)CC1 ZINC000020179323 207183285 /nfs/dbraw/zinc/18/32/85/207183285.db2.gz JMFUAWTWLKXIEF-HNNXBMFYSA-N 0 3 384.318 3.002 40 0 GGABHN CN(C)CCOC(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000021789010 207237693 /nfs/dbraw/zinc/23/76/93/207237693.db2.gz UINNZUBSFKCXEI-UHFFFAOYSA-N 0 3 384.383 3.195 40 0 GGABHN CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NCCCN(C)Cc1ccccc1 ZINC000022276635 207250864 /nfs/dbraw/zinc/25/08/64/207250864.db2.gz FCJVWNWYKSYYHT-OAQYLSRUSA-N 0 3 387.568 3.346 40 0 GGABHN COC(=O)[C@@H]1CN(Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000026894902 207320524 /nfs/dbraw/zinc/32/05/24/207320524.db2.gz UJEVWDXQMBNUIO-SFHVURJKSA-N 0 3 388.508 3.309 40 0 GGABHN COC(=O)[C@]1(c2ccc(C)cc2)C[C@@H]1CN1CCC(O)(c2ccccc2)CC1 ZINC000028635558 207345568 /nfs/dbraw/zinc/34/55/68/207345568.db2.gz BDSYECBSUUOPCT-QPPBQGQZSA-N 0 3 379.500 3.409 40 0 in-vitro GGABHN CCN(CC)[C@H](CNC(=O)c1ccc(N2CCNC2=O)cc1)c1ccsc1 ZINC000040089490 207338144 /nfs/dbraw/zinc/33/81/44/207338144.db2.gz MOOAGVMBTLHGPF-GOSISDBHSA-N 0 3 386.521 3.091 40 0 GGABHN CCN1CCN(Cc2ccc(CNC(=O)CCc3ccc(OC)cc3)cc2)CC1 ZINC000040115650 207342877 /nfs/dbraw/zinc/34/28/77/207342877.db2.gz DPAXMCREXVMPEU-UHFFFAOYSA-N 0 3 395.547 3.082 40 0 GGABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc2)CC1 ZINC000030941131 207376990 /nfs/dbraw/zinc/37/69/90/207376990.db2.gz CTAJIKKPYHQPHR-UHFFFAOYSA-N 0 3 392.503 3.361 40 0 GGABHN Cc1nc(CC(=O)N2CCN(C3CCCC3)C[C@@H](Cc3ccccn3)C2)cs1 ZINC000072355204 208000378 /nfs/dbraw/zinc/00/03/78/208000378.db2.gz QAGLZPTTXRYRKN-GOSISDBHSA-N 0 3 398.576 3.335 40 0 GGABHN Cc1cnc(Nc2cc([C@H]3CCCN3C(=O)[C@@H]3CCCCN3)nc(C)n2)s1 ZINC000072361482 208002551 /nfs/dbraw/zinc/00/25/51/208002551.db2.gz RNNGWQVBVWZTKH-GOEBONIOSA-N 0 3 386.525 3.099 40 0 GGABHN Cc1cnc(Nc2cc([C@H]3CCCN3C(=O)[C@H]3CCCCN3)nc(C)n2)s1 ZINC000072361484 208002574 /nfs/dbraw/zinc/00/25/74/208002574.db2.gz RNNGWQVBVWZTKH-GDBMZVCRSA-N 0 3 386.525 3.099 40 0 GGABHN COc1cccc(-c2cncc(C3CCN(C(=O)C4CCN(C)CC4)CC3)n2)c1 ZINC000072359849 208003258 /nfs/dbraw/zinc/00/32/58/208003258.db2.gz PTLWHDYAGHIYJK-UHFFFAOYSA-N 0 3 394.519 3.200 40 0 GGABHN Cc1cnc(Nc2cc([C@@H]3CCCN3C(=O)[C@@H]3CCCCN3)nc(C)n2)s1 ZINC000072361481 208003276 /nfs/dbraw/zinc/00/32/76/208003276.db2.gz RNNGWQVBVWZTKH-HOCLYGCPSA-N 0 3 386.525 3.099 40 0 GGABHN Cc1cnc(Nc2cc([C@@H]3CCCN3C(=O)[C@H]3CCCCN3)nc(C)n2)s1 ZINC000072361483 208004292 /nfs/dbraw/zinc/00/42/92/208004292.db2.gz RNNGWQVBVWZTKH-ZBFHGGJFSA-N 0 3 386.525 3.099 40 0 GGABHN CCN(CC)CC(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2OC)C1 ZINC000072362917 208004697 /nfs/dbraw/zinc/00/46/97/208004697.db2.gz JHKLEZGGNDYFQT-QGZVFWFLSA-N 0 3 398.507 3.325 40 0 GGABHN Cn1nccc1CN1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371590 208004859 /nfs/dbraw/zinc/00/48/59/208004859.db2.gz JYBZRZARBHYBSY-OAHLLOKOSA-N 0 3 385.899 3.408 40 0 GGABHN Cn1nccc1CN1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371590 208004860 /nfs/dbraw/zinc/00/48/60/208004860.db2.gz JYBZRZARBHYBSY-OAHLLOKOSA-N 0 3 385.899 3.408 40 0 GGABHN COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)ccc1OC(F)F ZINC000072373028 208006433 /nfs/dbraw/zinc/00/64/33/208006433.db2.gz LDAGHZXEMALIOE-UONOGXRCSA-N 0 3 391.418 3.232 40 0 GGABHN COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)ccc1OC(F)F ZINC000072373028 208006435 /nfs/dbraw/zinc/00/64/35/208006435.db2.gz LDAGHZXEMALIOE-UONOGXRCSA-N 0 3 391.418 3.232 40 0 GGABHN C[C@@H]1CCCCN1CC(=O)N1CCC(c2ccc(Nc3cnccn3)cn2)CC1 ZINC000072374229 208007941 /nfs/dbraw/zinc/00/79/41/208007941.db2.gz SKZVBQQPSSOFEG-QGZVFWFLSA-N 0 3 394.523 3.196 40 0 GGABHN CN1CCC(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2cccc(F)c2)CC1 ZINC000072377282 208009781 /nfs/dbraw/zinc/00/97/81/208009781.db2.gz XVYAVZLZSOVJAW-IBGZPJMESA-N 0 3 397.498 3.260 40 0 GGABHN Cn1cc(-c2cc(NC[C@@H](c3ccc(F)cc3)N3CCCCC3)nc(N)n2)cn1 ZINC000072373205 208010273 /nfs/dbraw/zinc/01/02/73/208010273.db2.gz SLTXBEYOXAAIPF-IBGZPJMESA-N 0 3 395.486 3.238 40 0 GGABHN CC(=O)N1CCC(N2CCC[C@@H](c3nccnc3Oc3cccnc3C)C2)CC1 ZINC000072384367 208012783 /nfs/dbraw/zinc/01/27/83/208012783.db2.gz MDJVMXGZPKTPQT-GOSISDBHSA-N 0 3 395.507 3.163 40 0 GGABHN Cc1cccc(CN2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(C)[C@H]3CC2)c1 ZINC000096145703 208274267 /nfs/dbraw/zinc/27/42/67/208274267.db2.gz SEVMZTMTKCOGBC-OALUTQOASA-N 0 3 386.517 3.041 40 0 GGABHN CC(C)CN1CC2(CCN(CC3CC3)CC2)COc2ccccc2S1(=O)=O ZINC000096037164 208255982 /nfs/dbraw/zinc/25/59/82/208255982.db2.gz DYEYTXQVZBEUHE-UHFFFAOYSA-N 0 3 392.565 3.218 40 0 GGABHN O=S(=O)(N[C@@H]1CCC12CCN(Cc1cccs1)CC2)c1ccccc1 ZINC000096051614 208256634 /nfs/dbraw/zinc/25/66/34/208256634.db2.gz KBOYIMPBSFVCPR-GOSISDBHSA-N 0 3 376.547 3.471 40 0 GGABHN COc1ccc(CN2CC[C@]3(C2)CCCN(C(=O)Cc2cccnc2)C3)cc1 ZINC000096047124 208256819 /nfs/dbraw/zinc/25/68/19/208256819.db2.gz ATFGHIWOOIWINY-QHCPKHFHSA-N 0 3 379.504 3.147 40 0 GGABHN CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000096054576 208257657 /nfs/dbraw/zinc/25/76/57/208257657.db2.gz BRJDUKLTBJHYQP-RYGJVYDSSA-N 0 3 392.496 3.340 40 0 GGABHN Cc1nc(CN2C(=O)COC3(CCN(Cc4ccsc4)CC3)[C@@H]2C)cs1 ZINC000096062279 208258448 /nfs/dbraw/zinc/25/84/48/208258448.db2.gz AKWPPDKIXCOCFR-AWEZNQCLSA-N 0 3 391.562 3.295 40 0 GGABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(Cc2csc(C)n2)[C@@H]3C)o1 ZINC000096062285 208258819 /nfs/dbraw/zinc/25/88/19/208258819.db2.gz PLZNTAAHBZUJEL-OAHLLOKOSA-N 0 3 389.521 3.135 40 0 GGABHN O=C(c1ccno1)N1CC[C@@]2(c3ccccc3)CN(Cc3ccco3)C[C@@H]2C1 ZINC000096083312 208260491 /nfs/dbraw/zinc/26/04/91/208260491.db2.gz DKQYEDBHPDQKAK-GCJKJVERSA-N 0 3 377.444 3.184 40 0 GGABHN CN(C)CCO[C@@H]1CC2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21 ZINC000096079151 208262271 /nfs/dbraw/zinc/26/22/71/208262271.db2.gz HSEPYBRUZAXCLR-OAQYLSRUSA-N 0 3 379.504 3.279 40 0 GGABHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)NCc4cccnc4)C3)C2)c1 ZINC000096215621 208286774 /nfs/dbraw/zinc/28/67/74/208286774.db2.gz ZSTVMWKZFBSOQY-HSZRJFAPSA-N 0 3 394.519 3.288 40 0 GGABHN CN(C)C(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1ccccc1)CC2 ZINC000096260569 208294415 /nfs/dbraw/zinc/29/44/15/208294415.db2.gz CPRMPEMQRDWBHX-UHFFFAOYSA-N 0 3 378.520 3.206 40 0 GGABHN CC(C)NC(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1ccccn1)CC2 ZINC000096260593 208294574 /nfs/dbraw/zinc/29/45/74/208294574.db2.gz RIPHFJJPTSUWTG-UHFFFAOYSA-N 0 3 393.535 3.038 40 0 GGABHN CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(Cc1ccccc1)CC2 ZINC000096260504 208296242 /nfs/dbraw/zinc/29/62/42/208296242.db2.gz LHVCBIABDXBROW-UHFFFAOYSA-N 0 3 380.536 3.452 40 0 GGABHN CC(C)N1CCN(c2ccc3ccc(C(=O)NCc4ccccc4)cn32)CC1 ZINC000096267415 208300821 /nfs/dbraw/zinc/30/08/21/208300821.db2.gz LCSDVGDXUYYNTI-UHFFFAOYSA-N 0 3 376.504 3.400 40 0 GGABHN CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)c3cc(C4CC4)on3)CC2)nn1C ZINC000100687664 208378119 /nfs/dbraw/zinc/37/81/19/208378119.db2.gz IQFIOSBTZJVQMD-GASCZTMLSA-N 0 3 385.512 3.051 40 0 GGABHN CCc1c(C)nc2cc([C@H]3CC[N@H+](CC(C)(C)CN4CCCC4)C3)[n-]n2c1=O ZINC000100766998 208382025 /nfs/dbraw/zinc/38/20/25/208382025.db2.gz HOJKFEVEHRSIRM-KRWDZBQOSA-N 0 3 385.556 3.217 40 0 GGABHN CCc1c(C)nc2cc([C@H]3CC[N@@H+](CC(C)(C)CN4CCCC4)C3)[n-]n2c1=O ZINC000100766998 208382031 /nfs/dbraw/zinc/38/20/31/208382031.db2.gz HOJKFEVEHRSIRM-KRWDZBQOSA-N 0 3 385.556 3.217 40 0 GGABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C1=O ZINC000101054139 208385175 /nfs/dbraw/zinc/38/51/75/208385175.db2.gz OKIOGBUHXQLPFA-HBMCJLEFSA-N 0 3 385.423 3.441 40 0 GGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000100565037 208375568 /nfs/dbraw/zinc/37/55/68/208375568.db2.gz MLMNIIWAGRXMHP-UFYCRDLUSA-N 0 3 390.395 3.339 40 0 GGABHN COc1cc(OC)cc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)c1 ZINC000408612201 533062846 /nfs/dbraw/zinc/06/28/46/533062846.db2.gz UXJABCFLVPVGLM-FQEVSTJZSA-N 0 3 380.488 3.367 40 0 GGABHN CC(C)n1cnc([C@H]2CN(Cc3cccnc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136110 209104732 /nfs/dbraw/zinc/10/47/32/209104732.db2.gz PJNLVGDXWMRPSK-OFNKIYASSA-N 0 3 393.535 3.087 40 0 GGABHN c1coc(CN2Cc3cnc(NCC4CC4)nc3[C@@]3(CCN(CC4CC4)C3)C2)c1 ZINC000306137885 209104624 /nfs/dbraw/zinc/10/46/24/209104624.db2.gz RJDDPMSAEOVUAN-HSZRJFAPSA-N 0 3 393.535 3.261 40 0 GGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccoc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306137319 209104562 /nfs/dbraw/zinc/10/45/62/209104562.db2.gz QSPFZTCTYCSCOY-UGKGYDQZSA-N 0 3 382.508 3.285 40 0 GGABHN Cn1nccc1-c1ccc2nnc(C3CCN(Cc4cccc(F)c4)CC3)n2n1 ZINC000306134667 209102840 /nfs/dbraw/zinc/10/28/40/209102840.db2.gz NVADSKHDPQUWDN-UHFFFAOYSA-N 0 3 391.454 3.044 40 0 GGABHN COc1ccccc1-c1cnc2n1C[C@@]1(CCN(Cc3cccnc3OC)C1)C2 ZINC000306132240 209102636 /nfs/dbraw/zinc/10/26/36/209102636.db2.gz LCPHKAVFOCOFBR-QHCPKHFHSA-N 0 3 390.487 3.411 40 0 GGABHN Cn1nccc1-c1ccc2nnc(C3CCN(Cc4ccc(F)cc4)CC3)n2n1 ZINC000306136034 209103298 /nfs/dbraw/zinc/10/32/98/209103298.db2.gz PHCPMFRHYJHSRX-UHFFFAOYSA-N 0 3 391.454 3.044 40 0 GGABHN Cc1ccsc1CN1CCN(C2=NO[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000306130941 209100464 /nfs/dbraw/zinc/10/04/64/209100464.db2.gz JSXAJCKQUBLNDB-WOJBJXKFSA-N 0 3 396.560 3.018 40 0 GGABHN Fc1cccc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306128078 209098757 /nfs/dbraw/zinc/09/87/57/209098757.db2.gz GPOBOMGBLQRGEU-GOSISDBHSA-N 0 3 395.482 3.085 40 0 GGABHN CC(C)[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000022929075 208858170 /nfs/dbraw/zinc/85/81/70/208858170.db2.gz ZDPHUUGOSRQQEK-NRFANRHFSA-N 0 3 382.556 3.369 40 0 GGABHN COc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000224804033 208935075 /nfs/dbraw/zinc/93/50/75/208935075.db2.gz WMMLNEUUTXWVHE-UHFFFAOYSA-N 0 3 394.924 3.423 40 0 GGABHN CC(C)CN1CCO[C@@]2(CCCC[C@H]2NC(=O)c2ccc3c(c2)CCCO3)C1 ZINC000306128816 209099927 /nfs/dbraw/zinc/09/99/27/209099927.db2.gz HLJZDIINVADPLE-GGAORHGYSA-N 0 3 386.536 3.411 40 0 GGABHN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCN(C)CC2)c1 ZINC000225420740 208952580 /nfs/dbraw/zinc/95/25/80/208952580.db2.gz XZHKBYGIKNEJIP-RGEXLXHISA-N 0 3 383.517 3.038 40 0 GGABHN Cc1ccc(CN2CCC(c3nnc4ccc(-c5ccnn5C)nn43)CC2)s1 ZINC000306126867 209097328 /nfs/dbraw/zinc/09/73/28/209097328.db2.gz FHJOURKYPVXGEV-UHFFFAOYSA-N 0 3 393.520 3.274 40 0 GGABHN Cc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4ccco4)n23)s1 ZINC000306122993 209096080 /nfs/dbraw/zinc/09/60/80/209096080.db2.gz ABQQJORQGWEOTF-UHFFFAOYSA-N 0 3 383.521 3.345 40 0 GGABHN O=C1[C@@H]2C[C@@H](CN2C2CCOCC2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111785 209008999 /nfs/dbraw/zinc/00/89/99/209008999.db2.gz OYPKNUHKVIVMGG-FPOVZHCZSA-N 0 3 378.472 3.234 40 0 biogenic,in-vitro GGABHN FC(F)(F)c1cccc(N2CCN(C3CCN(C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000245015241 209027725 /nfs/dbraw/zinc/02/77/25/209027725.db2.gz LSPICOMOFJBWKG-FQEVSTJZSA-N 0 3 397.485 3.471 40 0 GGABHN Cc1cc(Nc2cc(C[C@H]3CCCN(Cc4cccnc4)C3)nc(C)n2)n[nH]1 ZINC000257204005 209054853 /nfs/dbraw/zinc/05/48/53/209054853.db2.gz ASPRZIBYHBOCDJ-QGZVFWFLSA-N 0 3 377.496 3.410 40 0 GGABHN CC(=O)Nc1ccc(CN2CCC(N3CCc4ccccc4C3=O)CC2)cc1 ZINC000257248318 209060440 /nfs/dbraw/zinc/06/04/40/209060440.db2.gz JDCMKWXCIXXILI-UHFFFAOYSA-N 0 3 377.488 3.308 40 0 GGABHN Cc1nn(-c2ccc(Cl)cc2)c2nc3c(cc12)CN(CCN(C)C)C(=O)O3 ZINC000012754805 221225719 /nfs/dbraw/zinc/22/57/19/221225719.db2.gz OQVRIIGCNCVEHE-UHFFFAOYSA-N 0 3 385.855 3.258 40 0 GGABHN COc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CN(C)C)C3)c2)c1 ZINC000257294050 209068840 /nfs/dbraw/zinc/06/88/40/209068840.db2.gz QSGDLINDPLXMRP-KRWDZBQOSA-N 0 3 382.508 3.410 40 0 GGABHN Cc1cc(C)n(CCNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)n1 ZINC000257297074 209070802 /nfs/dbraw/zinc/07/08/02/209070802.db2.gz RFROUKIXFKJQLU-UHFFFAOYSA-N 0 3 377.492 3.054 40 0 GGABHN COc1ccc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1OC ZINC000408610007 533296555 /nfs/dbraw/zinc/29/65/55/533296555.db2.gz QCBHEFVLSLPNJY-HXUWFJFHSA-N 0 3 380.488 3.367 40 0 GGABHN C[C@H](CCN1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000072335588 136168448 /nfs/dbraw/zinc/16/84/48/136168448.db2.gz OFDBNDGNKASTIQ-KURKYZTESA-N 0 3 396.535 3.348 40 0 GGABHN CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCN(c2cc(N)nc(C)n2)CC1 ZINC000072347433 136168979 /nfs/dbraw/zinc/16/89/79/136168979.db2.gz GFXWOPNHMQSYKL-UHFFFAOYSA-N 0 3 393.413 3.018 40 0 GGABHN Cc1ccc(CN2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)s1 ZINC000096038296 136183340 /nfs/dbraw/zinc/18/33/40/136183340.db2.gz WWISBUVDXXUKPP-UHFFFAOYSA-N 0 3 397.548 3.315 40 0 GGABHN O=C(Nc1ccccc1Cl)N1CCN(c2cnnc(N3CCCC3)c2)CC1 ZINC000096121062 136183914 /nfs/dbraw/zinc/18/39/14/136183914.db2.gz XYOZXTCEFCOZAP-UHFFFAOYSA-N 0 3 386.887 3.084 40 0 GGABHN CCN1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CCN2Cc1ccccc1 ZINC000096230402 136185340 /nfs/dbraw/zinc/18/53/40/136185340.db2.gz PYVRCBRFJIZSFA-UHFFFAOYSA-N 0 3 378.520 3.093 40 0 GGABHN O=c1oc2ccccc2c(N2CCN(c3ccccn3)CC2)c1CN1CCCC1 ZINC000016525262 136202139 /nfs/dbraw/zinc/20/21/39/136202139.db2.gz BEOFCSFDERVCLO-UHFFFAOYSA-N 0 3 390.487 3.110 40 0 GGABHN C[C@@H](C(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1)N1CCCC1 ZINC000257331584 209076426 /nfs/dbraw/zinc/07/64/26/209076426.db2.gz XTMPCDJNDGLTDG-KRWDZBQOSA-N 0 3 389.503 3.250 40 0 GGABHN NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccccn2)C1 ZINC000072391307 222248896 /nfs/dbraw/zinc/24/88/96/222248896.db2.gz NZGUGQFIYVSFMQ-DEOSSOPVSA-N 0 3 386.499 3.454 40 0 GGABHN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O ZINC000409048763 528807841 /nfs/dbraw/zinc/80/78/41/528807841.db2.gz TZGMBMPYBKHNJW-MHWRWJLKSA-N 0 3 385.445 3.089 40 0 GGABHN CC1(C)Cc2cccc(OCC(=O)NCC3CCN(c4ccncc4)CC3)c2O1 ZINC000070928746 534958729 /nfs/dbraw/zinc/95/87/29/534958729.db2.gz ADVRGAYZBDMOMB-UHFFFAOYSA-N 0 3 395.503 3.207 40 0 GGABHN CC1=C[C@H](C)[C@H](CN2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)CC1 ZINC000072335585 535251486 /nfs/dbraw/zinc/25/14/86/535251486.db2.gz ZXYQNHFYMWQQER-XSLAGTTESA-N 0 3 386.540 3.146 40 0 GGABHN COC[C@H]1CCCN1Cc1nc(C2(O)CCN(CCC(C)C)CC2)cs1 ZINC000225422971 560043595 /nfs/dbraw/zinc/04/35/95/560043595.db2.gz OWIHOIKYKIZYSI-QGZVFWFLSA-N 0 3 381.586 3.083 40 0 biogenic,in-vitro GGABHN CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4C4CCCCC4)n3)cn2)CC1 ZINC000049155107 560083969 /nfs/dbraw/zinc/08/39/69/560083969.db2.gz GMZHXHKWJJWOJW-IBGZPJMESA-N 0 3 396.539 3.353 40 0 biogenic,in-vitro GGABHN COc1ccc(-c2nnc([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)o2)cc1 ZINC000049170132 560084488 /nfs/dbraw/zinc/08/44/88/560084488.db2.gz GHYTUYPIMURDGT-INIZCTEOSA-N 0 3 379.416 3.463 40 0 biogenic,in-vitro GGABHN CCOc1cc(CNCc2ccccc2)cc(Br)c1OCC(N)=O ZINC000008253733 564247975 /nfs/dbraw/zinc/24/79/75/564247975.db2.gz IJOAGMGLBMMJRK-UHFFFAOYSA-N 0 3 393.281 3.002 40 0 GGABHN COc1c(Br)cc(Br)cc1CNC[C@@H]1CCCO1 ZINC000008469521 564250048 /nfs/dbraw/zinc/25/00/48/564250048.db2.gz CVKWOQPNUAXNKL-NSHDSACASA-N 0 3 379.092 3.489 40 0 GGABHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)c(Cl)c1Cl ZINC000013671017 564278019 /nfs/dbraw/zinc/27/80/19/564278019.db2.gz KJDWVKLLUXRPDB-UHFFFAOYSA-N 0 3 381.325 3.156 40 0 GGABHN COc1ccc([C@@H](CNC(=O)Cc2ccc(Br)cc2)N(C)C)cc1 ZINC000014202157 564280554 /nfs/dbraw/zinc/28/05/54/564280554.db2.gz WCMRMMYYTROHSZ-GOSISDBHSA-N 0 3 391.309 3.419 40 0 GGABHN CCN(CC)CCSc1nnc(N2CCN(c3ccccc3)CC2)s1 ZINC000023140110 564322338 /nfs/dbraw/zinc/32/23/38/564322338.db2.gz GGNJSPBDOBRUES-UHFFFAOYSA-N 0 3 377.583 3.299 40 0 GGABHN Cc1nc(CSCCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000036397931 564417407 /nfs/dbraw/zinc/41/74/07/564417407.db2.gz XMKDTFXCQUQMIG-KRWDZBQOSA-N 0 3 375.563 3.466 40 0 GGABHN CN1CCC(NC(=O)COc2ccc3ccccc3c2Br)CC1 ZINC000054147822 564599449 /nfs/dbraw/zinc/59/94/49/564599449.db2.gz VTLWLVLCRATBTL-UHFFFAOYSA-N 0 3 377.282 3.192 40 0 GGABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2cccc(Br)c2)C1 ZINC000101039260 564914799 /nfs/dbraw/zinc/91/47/99/564914799.db2.gz GWDHQNZKRBNVSU-LSDHHAIUSA-N 0 3 384.318 3.048 40 0 GGABHN CCOC[C@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218059739 565898636 /nfs/dbraw/zinc/89/86/36/565898636.db2.gz NEPGDTFQTZEUGL-GBESFXJTSA-N 0 3 379.909 3.261 40 0 GGABHN COC[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218490161 565899304 /nfs/dbraw/zinc/89/93/04/565899304.db2.gz WEWGCEMQFKLOKG-QYZOEREBSA-N 0 3 379.909 3.180 40 0 GGABHN COC[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218547755 565899465 /nfs/dbraw/zinc/89/94/65/565899465.db2.gz TYUHYATYANXYKY-CEXWTWQISA-N 0 3 379.909 3.180 40 0 GGABHN CCOC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218515514 565899603 /nfs/dbraw/zinc/89/96/03/565899603.db2.gz DVBIBJWYSPYWCO-GBESFXJTSA-N 0 3 379.909 3.261 40 0 GGABHN COC[C@]1(CN)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242425545 565984069 /nfs/dbraw/zinc/98/40/69/565984069.db2.gz BOFBDLZDQRTNGN-RCCFBDPRSA-N 0 3 383.872 3.010 40 0 GGABHN COC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242701468 565984823 /nfs/dbraw/zinc/98/48/23/565984823.db2.gz WEWGCEMQFKLOKG-IPMKNSEASA-N 0 3 379.909 3.180 40 0 GGABHN COC[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252515475 566116171 /nfs/dbraw/zinc/11/61/71/566116171.db2.gz KHSLPZBXVIELKS-RCCFBDPRSA-N 0 3 383.872 3.010 40 0 GGABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000252515809 566116233 /nfs/dbraw/zinc/11/62/33/566116233.db2.gz NTWPVCUPGOGXAS-GUDVDZBRSA-N 0 3 379.909 3.261 40 0 GGABHN O[C@H]1[C@H](Oc2ccccc2)C[C@@H](NCc2ccccc2F)[C@@H]1N1CCCCC1 ZINC000585262407 570230622 /nfs/dbraw/zinc/23/06/22/570230622.db2.gz QHZQVZXZPKFVEY-LUKWVAJMSA-N 0 3 384.495 3.351 40 0 GGABHN CCCc1cnc(Nc2cccc(C3CCN(C(=O)C4(N)CC4)CC3)n2)s1 ZINC000585263262 570231754 /nfs/dbraw/zinc/23/17/54/570231754.db2.gz SQKQJFBIRQYWGQ-UHFFFAOYSA-N 0 3 385.537 3.432 40 0 GGABHN CC(=O)N1CCN(C2CCCCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585281839 570247916 /nfs/dbraw/zinc/24/79/16/570247916.db2.gz CCGSLJSMROXTGO-JOCHJYFZSA-N 0 3 392.515 3.131 40 0 GGABHN Cc1cc(C)c(C)c(OC[C@]2(O)COCCN(CC3(O)CCCCCC3)C2)c1 ZINC000585281873 570248565 /nfs/dbraw/zinc/24/85/65/570248565.db2.gz DGMQSJYPQRNREO-HSZRJFAPSA-N 0 3 391.552 3.139 40 0 GGABHN CCOC(=O)N1CCC(N2CCC(O)(COc3cccc(Cl)c3)CC2)CC1 ZINC000585280783 570249274 /nfs/dbraw/zinc/24/92/74/570249274.db2.gz AQBPLIYZGZXLRY-UHFFFAOYSA-N 0 3 396.915 3.167 40 0 GGABHN CC(=O)N1CCC(N2CCC(O)(COc3cc(C)c(Cl)c(C)c3)CC2)CC1 ZINC000585281470 570249736 /nfs/dbraw/zinc/24/97/36/570249736.db2.gz JPOFVFZUNHRVBP-UHFFFAOYSA-N 0 3 394.943 3.173 40 0 GGABHN COc1ccc(CN[C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)c(OC)c1 ZINC000585284167 570250787 /nfs/dbraw/zinc/25/07/87/570250787.db2.gz FQFOBVJLRJBEGN-QKNQBKEWSA-N 0 3 375.440 3.294 40 0 GGABHN COc1cccc(OC[C@@H](O)CNCc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000585284352 570253501 /nfs/dbraw/zinc/25/35/01/570253501.db2.gz KAJTVLSMWIPZET-SFHVURJKSA-N 0 3 382.460 3.095 40 0 GGABHN COc1ccccc1OC[C@@H](O)CNCc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000585284983 570254238 /nfs/dbraw/zinc/25/42/38/570254238.db2.gz MTYULOKPQRFXPE-SFHVURJKSA-N 0 3 382.460 3.095 40 0 GGABHN COc1ccc(OC[C@@H](O)CNCc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000585284941 570254273 /nfs/dbraw/zinc/25/42/73/570254273.db2.gz METRECXNJWEGOP-SFHVURJKSA-N 0 3 382.460 3.095 40 0 GGABHN COc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1OC ZINC000585289566 570257130 /nfs/dbraw/zinc/25/71/30/570257130.db2.gz KBTAOYYOTTYJCE-FBBABVLZSA-N 0 3 375.440 3.294 40 0 GGABHN FC(F)(F)c1nc(-c2ccc([C@H]3CCCN(Cc4cn[nH]c4)C3)nc2)no1 ZINC000585289442 570257406 /nfs/dbraw/zinc/25/74/06/570257406.db2.gz GJODIPRMBTYCOJ-ZDUSSCGKSA-N 0 3 378.358 3.253 40 0 GGABHN Cc1cccc(Nc2cc([C@H]3CCCN(C(=O)/C=C/CN(C)C)C3)ccn2)n1 ZINC000585292324 570261603 /nfs/dbraw/zinc/26/16/03/570261603.db2.gz KSDKCWAHPUXJGG-IUYMFKLXSA-N 0 3 379.508 3.352 40 0 GGABHN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(C(=O)/C=C/CN(C)C)C3)n2)n1 ZINC000585293257 570262600 /nfs/dbraw/zinc/26/26/00/570262600.db2.gz YVKZMSBWWVOEKO-DBEXCURXSA-N 0 3 394.523 3.056 40 0 GGABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000102005416 570286660 /nfs/dbraw/zinc/28/66/60/570286660.db2.gz CVCFJUHBGJCSBU-AABGKKOBSA-N 0 3 389.386 3.272 40 0 GGABHN O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1N1CCNCC1 ZINC000072216373 570317512 /nfs/dbraw/zinc/31/75/12/570317512.db2.gz GNUFUPYNRSNPMU-FQEVSTJZSA-N 0 3 380.492 3.355 40 0 GGABHN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1N1CCNCC1 ZINC000072216372 570317564 /nfs/dbraw/zinc/31/75/64/570317564.db2.gz GNUFUPYNRSNPMU-HXUWFJFHSA-N 0 3 380.492 3.355 40 0 GGABHN Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[C@H](N)c1ccccc1 ZINC000072224708 570318642 /nfs/dbraw/zinc/31/86/42/570318642.db2.gz QJFUKPKUKVWPTI-HXUWFJFHSA-N 0 3 382.508 3.495 40 0 GGABHN CCc1ccc([C@H](CNC(=O)/C=C/c2cc(C(=O)OC)c(C)o2)N(C)C)cc1 ZINC000032734054 570393129 /nfs/dbraw/zinc/39/31/29/570393129.db2.gz SCNMOAYTFDVQLY-SGWGQVFISA-N 0 3 384.476 3.369 40 0 GGABHN CCOc1ccccc1N1C(=O)C[C@H](NCCc2c[nH]c3ccccc23)C1=O ZINC000025224557 570413727 /nfs/dbraw/zinc/41/37/27/570413727.db2.gz PQIIQVOPSQWSIX-SFHVURJKSA-N 0 3 377.444 3.031 40 0 GGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 ZINC000223289479 570456334 /nfs/dbraw/zinc/45/63/34/570456334.db2.gz BOEDWMONGDOUQC-RTWAWAEBSA-N 0 3 391.544 3.406 40 0 GGABHN Cc1nc2ccccn2c1-c1nnc2sc(CCN3CCCCCC3)nn21 ZINC000227144048 570462532 /nfs/dbraw/zinc/46/25/32/570462532.db2.gz ZNKPDZGHZKSMFT-UHFFFAOYSA-N 0 3 381.509 3.227 40 0 GGABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(C)c3)cc2)CC1 ZINC000006517674 570482767 /nfs/dbraw/zinc/48/27/67/570482767.db2.gz VYBFIWLVIYHEDJ-UHFFFAOYSA-N 0 3 382.533 3.264 40 0 GGABHN COc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCOCC2)cc1 ZINC000141782715 570501530 /nfs/dbraw/zinc/50/15/30/570501530.db2.gz MUOVSHCAORRJCT-UHFFFAOYSA-N 0 3 398.503 3.323 40 0 GGABHN COc1cccc(OCCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000224531187 570516623 /nfs/dbraw/zinc/51/66/23/570516623.db2.gz NAEMALZZWHDFDE-UHFFFAOYSA-N 0 3 382.504 3.411 40 0 GGABHN Cc1nc2n(c(=O)c1CCN1CCC(c3noc4ccccc43)CC1)CCCC2 ZINC000034284851 570532678 /nfs/dbraw/zinc/53/26/78/570532678.db2.gz PLOGUXWMVNJOPF-UHFFFAOYSA-N 0 3 392.503 3.451 40 0 in-vitro GGABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccnc4)[C@H]3C2=O)c1 ZINC000002394970 570543860 /nfs/dbraw/zinc/54/38/60/570543860.db2.gz MEXIFCKJJODSBW-NJYVYQBISA-N 0 3 385.423 3.441 40 0 GGABHN CC1CCN(Cc2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2)CC1 ZINC000225263816 570560161 /nfs/dbraw/zinc/56/01/61/570560161.db2.gz ZPAINLZLEQZVPQ-HXUWFJFHSA-N 0 3 380.488 3.488 40 0 GGABHN COc1ccccc1N1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 ZINC000010113903 570566024 /nfs/dbraw/zinc/56/60/24/570566024.db2.gz LOOFJIZHZSOIHH-UHFFFAOYSA-N 0 3 379.504 3.253 40 0 GGABHN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(CN2CCCC2)cc1 ZINC000010691191 570572601 /nfs/dbraw/zinc/57/26/01/570572601.db2.gz ZNZWQVDNGWBSLP-UHFFFAOYSA-N 0 3 393.487 3.007 40 0 GGABHN O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000038836046 570587237 /nfs/dbraw/zinc/58/72/37/570587237.db2.gz UNCVMOLJNLJBMP-FQEVSTJZSA-N 0 3 381.495 3.387 40 0 GGABHN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)CC1 ZINC000038854150 570588637 /nfs/dbraw/zinc/58/86/37/570588637.db2.gz TVCLEQKOVGMHKI-SFHVURJKSA-N 0 3 392.927 3.354 40 0 GGABHN COc1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 ZINC000039964098 570594458 /nfs/dbraw/zinc/59/44/58/570594458.db2.gz KJHVSKOAORHCLO-GOSISDBHSA-N 0 3 376.416 3.124 40 0 GGABHN COc1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 ZINC000039964099 570594529 /nfs/dbraw/zinc/59/45/29/570594529.db2.gz KJHVSKOAORHCLO-SFHVURJKSA-N 0 3 376.416 3.124 40 0 GGABHN CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079393326 570598007 /nfs/dbraw/zinc/59/80/07/570598007.db2.gz POHDTHQSOOFQGB-FHWLQOOXSA-N 0 3 375.513 3.056 40 0 GGABHN CCN(C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)[C@@H](N)C(C)C ZINC000079393315 570598034 /nfs/dbraw/zinc/59/80/34/570598034.db2.gz OHGRPDLZYNTPCZ-OALUTQOASA-N 0 3 375.513 3.010 40 0 GGABHN CCN(C(=O)OCc1ccccc1)C1CCC(NC(=O)[C@@H](N)C(C)C)CC1 ZINC000079413362 570598080 /nfs/dbraw/zinc/59/80/80/570598080.db2.gz OBNSXOAREWNWHG-ACBHZAAOSA-N 0 3 375.513 3.056 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H](CN(C(=O)OCc2ccccc2)C(C)C)C1 ZINC000079413451 570598173 /nfs/dbraw/zinc/59/81/73/570598173.db2.gz DANWENPQPTYEQU-UXHICEINSA-N 0 3 389.540 3.256 40 0 GGABHN CCOc1ccccc1CN1CCC[C@H](Cn2nnc(-c3ccncc3)n2)C1 ZINC000012085407 570606159 /nfs/dbraw/zinc/60/61/59/570606159.db2.gz HUCNEBXUOZNNAP-KRWDZBQOSA-N 0 3 378.480 3.046 40 0 GGABHN COc1ccc(CN2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)c(OC)c1 ZINC000012085338 570606242 /nfs/dbraw/zinc/60/62/42/570606242.db2.gz ZORJBQLQTKTQCY-HNNXBMFYSA-N 0 3 399.520 3.331 40 0 GGABHN Cc1nccn1-c1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](C)O)cc1 ZINC000012116726 570611339 /nfs/dbraw/zinc/61/13/39/570611339.db2.gz WLOCZLTUWMNWSP-INIZCTEOSA-N 0 3 379.460 3.292 40 0 GGABHN CCN1CCC[C@@H]1CNC(=O)Cn1ccc2ccnc(-c3cccc(OC)c3)c21 ZINC000012134725 570613885 /nfs/dbraw/zinc/61/38/85/570613885.db2.gz BMTJOWYSINOEIE-LJQANCHMSA-N 0 3 392.503 3.312 40 0 GGABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCC(C)C)cc12 ZINC000004133519 570618072 /nfs/dbraw/zinc/61/80/72/570618072.db2.gz AMYNIMVESHCLIT-UHFFFAOYSA-N 0 3 388.581 3.039 40 0 GGABHN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNC[C@H]3Cc4ccccc4O3)cc12 ZINC000012186455 570620827 /nfs/dbraw/zinc/62/08/27/570620827.db2.gz SPCAYKQVHREJQX-LJQANCHMSA-N 0 3 386.455 3.116 40 0 GGABHN Cc1ccc2cc(CN(CCN(C)C)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000004231309 570622468 /nfs/dbraw/zinc/62/24/68/570622468.db2.gz ULBICGAHBRBIBE-UHFFFAOYSA-N 0 3 384.524 3.242 40 0 GGABHN Cc1ccc(C2(NCc3ccc(OCC(=O)N4CCOCC4)cc3)CC2)cc1 ZINC000012238726 570629412 /nfs/dbraw/zinc/62/94/12/570629412.db2.gz HQXIQJBUBWHJJC-UHFFFAOYSA-N 0 3 380.488 3.012 40 0 GGABHN COc1ccc(C2(NCc3ccc(OCC(=O)N4CCCC4)cc3)CC2)cc1 ZINC000012238666 570629658 /nfs/dbraw/zinc/62/96/58/570629658.db2.gz KBYLHMKTXFFHOS-UHFFFAOYSA-N 0 3 380.488 3.475 40 0 GGABHN NC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000225904539 570632342 /nfs/dbraw/zinc/63/23/42/570632342.db2.gz AXYAGUNPAJOUJK-QGZVFWFLSA-N 0 3 385.895 3.219 40 0 GGABHN O[C@@H](CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 ZINC000012292432 570633458 /nfs/dbraw/zinc/63/34/58/570633458.db2.gz FJUGVTSBIHWWTA-KRWDZBQOSA-N 0 3 375.852 3.086 40 0 GGABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(C)cc3)CC1)C[C@H]2O ZINC000012293422 570633947 /nfs/dbraw/zinc/63/39/47/570633947.db2.gz VJXGSWZTGIXGHO-NHCUHLMSSA-N 0 3 383.488 3.388 40 0 GGABHN Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000012327693 570643787 /nfs/dbraw/zinc/64/37/87/570643787.db2.gz YLDGZRQNCBUMMT-HXUWFJFHSA-N 0 3 383.488 3.173 40 0 GGABHN CC(=O)Nc1ccc([C@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1C ZINC000012327653 570643799 /nfs/dbraw/zinc/64/37/99/570643799.db2.gz NSKZZFRCQOVFRB-OAQYLSRUSA-N 0 3 386.467 3.110 40 0 GGABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012329376 570644007 /nfs/dbraw/zinc/64/40/07/570644007.db2.gz SADXNRTZMQJCNS-SFTDATJTSA-N 0 3 396.487 3.029 40 0 GGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(OC)ccc2O3)cc1 ZINC000012329899 570644121 /nfs/dbraw/zinc/64/41/21/570644121.db2.gz RFQCGOZYYCFGSF-LEWJYISDSA-N 0 3 399.487 3.088 40 0 GGABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)c1 ZINC000012330069 570644168 /nfs/dbraw/zinc/64/41/68/570644168.db2.gz VZUSQEFKVYPNET-WOJBJXKFSA-N 0 3 387.451 3.218 40 0 GGABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)c1 ZINC000012330072 570644182 /nfs/dbraw/zinc/64/41/82/570644182.db2.gz VZUSQEFKVYPNET-PMACEKPBSA-N 0 3 387.451 3.218 40 0 GGABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)cc1C ZINC000012329480 570644230 /nfs/dbraw/zinc/64/42/30/570644230.db2.gz HNBYDFLZEPWAKS-NHCUHLMSSA-N 0 3 383.488 3.393 40 0 GGABHN COc1ccc(CC(=O)N2Cc3cc(C)ccc3OC[C@H]2CN(C)C)cc1C ZINC000012406634 570654003 /nfs/dbraw/zinc/65/40/03/570654003.db2.gz NWAULTKNLYLNOT-HXUWFJFHSA-N 0 3 382.504 3.206 40 0 GGABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000013751669 570675047 /nfs/dbraw/zinc/67/50/47/570675047.db2.gz JSTGERLJWPAZMN-ACRUOGEOSA-N 0 3 385.423 3.441 40 0 GGABHN COc1cc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc(OC)c1OC ZINC000005519128 570733630 /nfs/dbraw/zinc/73/36/30/570733630.db2.gz RZQFFVUCOQHHBQ-IEBWSBKVSA-N 0 3 396.487 3.469 40 0 GGABHN CCOCCCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007540610 570760394 /nfs/dbraw/zinc/76/03/94/570760394.db2.gz SJBVEVGEVZUUBS-UHFFFAOYSA-N 0 3 375.421 3.036 40 0 GGABHN COC(=O)C[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)CN21 ZINC000257227003 570764090 /nfs/dbraw/zinc/76/40/90/570764090.db2.gz FNEWSOAZYPZKRY-OTWHNJEPSA-N 0 3 388.508 3.245 40 0 GGABHN COC(=O)C[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)CN21 ZINC000257227002 570764142 /nfs/dbraw/zinc/76/41/42/570764142.db2.gz FNEWSOAZYPZKRY-IPMKNSEASA-N 0 3 388.508 3.245 40 0 GGABHN Oc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000002509755 570860381 /nfs/dbraw/zinc/86/03/81/570860381.db2.gz XAUKPPPYYOKVQJ-MRXNPFEDSA-N 0 3 392.455 3.435 40 0 endogenous,world GGABHN c1cc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)n(-c2cccnc2)c1 ZINC000072327146 570879104 /nfs/dbraw/zinc/87/91/04/570879104.db2.gz SVETUZAAHLCUKH-UHFFFAOYSA-N 0 3 398.514 3.352 40 0 GGABHN COC(=O)[C@]1(Cc2ccc(OC)cc2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340203 570880527 /nfs/dbraw/zinc/88/05/27/570880527.db2.gz WCTCPARKUCMHKL-IZIIKQMZSA-N 0 3 393.483 3.403 40 0 GGABHN C[C@@H](CCN1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000257279126 570900527 /nfs/dbraw/zinc/90/05/27/570900527.db2.gz OFDBNDGNKASTIQ-OKZBNKHCSA-N 0 3 396.535 3.348 40 0 GGABHN O=C(CN(Cc1ccccc1)C1CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000032909681 570912079 /nfs/dbraw/zinc/91/20/79/570912079.db2.gz WMCRPZIIVAVAJH-UHFFFAOYSA-N 0 3 377.532 3.432 40 0 GGABHN c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019369578 570925221 /nfs/dbraw/zinc/92/52/21/570925221.db2.gz JFRDILISHQEFSO-NRFANRHFSA-N 0 3 380.540 3.438 40 0 GGABHN c1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019369580 570925299 /nfs/dbraw/zinc/92/52/99/570925299.db2.gz JFRDILISHQEFSO-OAQYLSRUSA-N 0 3 380.540 3.438 40 0 GGABHN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000019366747 570925405 /nfs/dbraw/zinc/92/54/05/570925405.db2.gz SYXLOOHCNOJAFE-HXUWFJFHSA-N 0 3 386.519 3.262 40 0 GGABHN CC(C)C[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000019446900 570925776 /nfs/dbraw/zinc/92/57/76/570925776.db2.gz IQKXIGKBCUTSBJ-NRFANRHFSA-N 0 3 382.556 3.369 40 0 GGABHN Cc1nc(C)c(CN2CCC[C@@]3(CCC(=O)N3C[C@H]3CCCO3)CC2)s1 ZINC000585099870 570926488 /nfs/dbraw/zinc/92/64/88/570926488.db2.gz NADIZGMIJNNFFP-YLJYHZDGSA-N 0 3 377.554 3.286 40 0 GGABHN CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000019499710 570926811 /nfs/dbraw/zinc/92/68/11/570926811.db2.gz RICIYDPAFRUQID-HXUWFJFHSA-N 0 3 382.556 3.468 40 0 GGABHN COc1ccc(C(=O)N[C@H](C)CCN2CCN(c3ccccc3)CC2)cc1F ZINC000032915992 570926974 /nfs/dbraw/zinc/92/69/74/570926974.db2.gz SEWMEQBAEHSZQB-QGZVFWFLSA-N 0 3 385.483 3.165 40 0 GGABHN O=C(COc1ccc2ccccc2c1)N1CCC[C@@]2(CCN2C[C@@H]2CCCO2)C1 ZINC000585101872 570927342 /nfs/dbraw/zinc/92/73/42/570927342.db2.gz JWCNQOOJDJSGQR-LADGPHEKSA-N 0 3 394.515 3.465 40 0 GGABHN O=C(COc1ccc2ccccc2c1)N1CCC[C@@]2(CCN2C[C@H]2CCCO2)C1 ZINC000585101868 570927426 /nfs/dbraw/zinc/92/74/26/570927426.db2.gz JWCNQOOJDJSGQR-ISKFKSNPSA-N 0 3 394.515 3.465 40 0 GGABHN COCCN1CC[C@]12CCCN(C(=O)c1ccc(N(C)C)c3ccccc13)C2 ZINC000585101950 570927574 /nfs/dbraw/zinc/92/75/74/570927574.db2.gz NCFARGVCDNVBRR-QHCPKHFHSA-N 0 3 381.520 3.233 40 0 GGABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@@H](C)C4)C3)CC2)c1 ZINC000585103047 570931550 /nfs/dbraw/zinc/93/15/50/570931550.db2.gz BQXLQJOMVTYREW-RTBURBONSA-N 0 3 386.536 3.444 40 0 GGABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@@H](C)C4)C3)CC2)c1 ZINC000585103047 570931552 /nfs/dbraw/zinc/93/15/52/570931552.db2.gz BQXLQJOMVTYREW-RTBURBONSA-N 0 3 386.536 3.444 40 0 GGABHN CCOC(=O)c1ccc(N2C(=O)C[C@H](NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000019913564 570932699 /nfs/dbraw/zinc/93/26/99/570932699.db2.gz QETXBNQYNZTDNM-HAVBXNNZSA-N 0 3 396.487 3.054 40 0 GGABHN Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCCN([C@@H](C)c1ccccc1)C2 ZINC000585104397 570932864 /nfs/dbraw/zinc/93/28/64/570932864.db2.gz LVKXYRWVRLCEEL-JTSKRJEESA-N 0 3 383.492 3.104 40 0 GGABHN COc1ccccc1NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000046884610 570935203 /nfs/dbraw/zinc/93/52/03/570935203.db2.gz ONKWHAGSPBDQOW-FQEVSTJZSA-N 0 3 382.508 3.196 40 0 GGABHN Cc1cccc(CS(=O)(=O)N2CC[C@H]3[C@H](CN3CC3CCCCC3)C2)c1 ZINC000585107883 570939582 /nfs/dbraw/zinc/93/95/82/570939582.db2.gz APCZMRILRNABBR-RTWAWAEBSA-N 0 3 376.566 3.411 40 0 GGABHN O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@H]2[C@H](CN2CC2CCCCC2)C1 ZINC000585108001 570939644 /nfs/dbraw/zinc/93/96/44/570939644.db2.gz SXTPYADENXMVCK-BEFAXECRSA-N 0 3 384.492 3.240 40 0 GGABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000004313029 570972393 /nfs/dbraw/zinc/97/23/93/570972393.db2.gz YDZKQEDKBUHTJD-HBMCJLEFSA-N 0 3 385.423 3.441 40 0 GGABHN COc1cc2c(cc1OC)[C@H]1CN(C)CC[C@H]1N=C2c1ccc(NC(C)=O)cc1 ZINC000005160728 1398417754 /nfs/dbraw/zinc/41/77/54/1398417754.db2.gz DCDXHGMCXGHXBM-WOJBJXKFSA-N 0 3 393.487 3.301 40 0 GGABHN CC(C)NC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2)nn1C ZINC000008635295 1398842629 /nfs/dbraw/zinc/84/26/29/1398842629.db2.gz AYEPZVLFDVMBNI-OTWHNJEPSA-N 0 3 382.508 3.400 40 0 biogenic,in-vitro GGABHN O=C(NCc1ccccc1)[C@]1(Cc2ccccn2)CN(C2CCCCC2)CCO1 ZINC000019700908 1399334783 /nfs/dbraw/zinc/33/47/83/1399334783.db2.gz QWIHXERJEPBCMH-DEOSSOPVSA-N 0 3 393.531 3.344 40 0 GGABHN CNCc1cc(NC)nc([C@@H]2CCCN2C(=O)C(C)(C)c2ccc(C)cc2)n1 ZINC000019760578 1399338299 /nfs/dbraw/zinc/33/82/99/1399338299.db2.gz IVLJPRZCXKEBIQ-SFHVURJKSA-N 0 3 381.524 3.187 40 0 GGABHN CCc1ccc([C@@H](CNC(=O)CCc2ccc3c(c2)OCCO3)N(C)C)cc1 ZINC000027597700 1400065028 /nfs/dbraw/zinc/06/50/28/1400065028.db2.gz XOUSURNMHUXEQY-HXUWFJFHSA-N 0 3 382.504 3.372 40 0 GGABHN CC[C@H](CNC(=O)c1cc2ccccc2oc1=O)N1CCc2ccccc2C1 ZINC000029909562 1400376168 /nfs/dbraw/zinc/37/61/68/1400376168.db2.gz FBSKPWVPBBQMDY-LJQANCHMSA-N 0 3 376.456 3.360 40 0 GGABHN CCN1CCN(Cc2ccccc2CNC(=O)CCc2cccc(F)c2)CC1 ZINC000058130675 1407788069 /nfs/dbraw/zinc/78/80/69/1407788069.db2.gz HOTXRISBGAROSZ-UHFFFAOYSA-N 0 3 383.511 3.212 40 0 GGABHN CCOc1ccc([C@H](N)c2n[nH]c(COc3ccc(Cl)cc3)n2)cc1OC ZINC000095534218 1410315285 /nfs/dbraw/zinc/31/52/85/1410315285.db2.gz IVZGUGAHEIWRMT-SFHVURJKSA-N 0 3 388.855 3.493 40 0 GGABHN CCOc1ccc([C@H](N)c2nc(CNc3ccc(OC)cc3)n[nH]2)cc1OCC ZINC000095534542 1410315357 /nfs/dbraw/zinc/31/53/57/1410315357.db2.gz CMQXKUURAHUFSS-FQEVSTJZSA-N 0 3 397.479 3.271 40 0 GGABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccn1Cc1ccc(Cl)c(Cl)c1 ZINC000019575310 210268145 /nfs/dbraw/zinc/26/81/45/210268145.db2.gz WZKVUBPBNVLPFC-FHLIZLRMSA-N 0 3 394.346 3.483 40 0 GGABHN COc1cc(C)c(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1C ZINC000019567236 210266483 /nfs/dbraw/zinc/26/64/83/210266483.db2.gz QHKKOKHYTGJJPU-GOSISDBHSA-N 0 3 390.487 3.447 40 0 GGABHN COc1cc(C)c(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1C ZINC000019567236 210266486 /nfs/dbraw/zinc/26/64/86/210266486.db2.gz QHKKOKHYTGJJPU-GOSISDBHSA-N 0 3 390.487 3.447 40 0 GGABHN COc1cc(C)c(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1C ZINC000019567239 210265371 /nfs/dbraw/zinc/26/53/71/210265371.db2.gz QHKKOKHYTGJJPU-SFHVURJKSA-N 0 3 390.487 3.447 40 0 GGABHN COc1cc(C)c(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1C ZINC000019567239 210265375 /nfs/dbraw/zinc/26/53/75/210265375.db2.gz QHKKOKHYTGJJPU-SFHVURJKSA-N 0 3 390.487 3.447 40 0 GGABHN Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019565833 210265155 /nfs/dbraw/zinc/26/51/55/210265155.db2.gz HQOGNFCHGBPIEB-IBGZPJMESA-N 0 3 375.476 3.232 40 0 GGABHN CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019532998 210259765 /nfs/dbraw/zinc/25/97/65/210259765.db2.gz ZIQABEZMVAWCLD-OAQYLSRUSA-N 0 3 394.519 3.160 40 0 GGABHN CCOCc1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019531243 210259698 /nfs/dbraw/zinc/25/96/98/210259698.db2.gz ACKPTMZDQVQKPD-IBGZPJMESA-N 0 3 394.519 3.021 40 0 GGABHN CCN1CCN(CCCNc2ncc(-c3cc(C)no3)c(-c3ccco3)n2)CC1 ZINC000019528193 210259331 /nfs/dbraw/zinc/25/93/31/210259331.db2.gz ZXRNPYQBTIIZEZ-UHFFFAOYSA-N 0 3 396.495 3.140 40 0 GGABHN CCOCc1ccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019531241 210258362 /nfs/dbraw/zinc/25/83/62/210258362.db2.gz ACKPTMZDQVQKPD-LJQANCHMSA-N 0 3 394.519 3.021 40 0 GGABHN CCN1CCC[C@H]1CNCc1nc(-c2ccc(-c3ccnc(C)n3)cc2)no1 ZINC000019527265 210257801 /nfs/dbraw/zinc/25/78/01/210257801.db2.gz MDPSKVFBDMGNIN-SFHVURJKSA-N 0 3 378.480 3.076 40 0 GGABHN CCN1CCC[C@@H]1CN(Cc1ccnn1[C@@H]1CCCCO1)Cc1cccnc1 ZINC000019527193 210257076 /nfs/dbraw/zinc/25/70/76/210257076.db2.gz DHVVKSGVYXWJFQ-IRLDBZIGSA-N 0 3 383.540 3.464 40 0 GGABHN CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1cc2c(cc1OC)OCO2 ZINC000019527155 210255751 /nfs/dbraw/zinc/25/57/51/210255751.db2.gz YOJZMQYDOVBCSR-LJQANCHMSA-N 0 3 383.492 3.305 40 0 GGABHN CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019499402 210252171 /nfs/dbraw/zinc/25/21/71/210252171.db2.gz UFQHEYFSDRQJJR-RTBURBONSA-N 0 3 398.482 3.125 40 0 GGABHN CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000019498170 210252029 /nfs/dbraw/zinc/25/20/29/210252029.db2.gz IXSKRTKXRLKOJA-QMHKHESXSA-N 0 3 379.504 3.494 40 0 GGABHN C[C@@H](CN1CCN(c2ccccc2[C@@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000019456187 210250940 /nfs/dbraw/zinc/25/09/40/210250940.db2.gz GMFMJFKXFWEDAR-WMZHIEFXSA-N 0 3 390.531 3.428 40 0 GGABHN CC(C)n1cc(C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)cn1 ZINC000019454823 210250715 /nfs/dbraw/zinc/25/07/15/210250715.db2.gz NXLHTDNGKGRPFS-UHFFFAOYSA-N 0 3 382.508 3.400 40 0 GGABHN OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCCN1C1CCCC1 ZINC000019404178 210248364 /nfs/dbraw/zinc/24/83/64/210248364.db2.gz HUGUKMFBNRUACV-FQEVSTJZSA-N 0 3 396.539 3.012 40 0 GGABHN O=C1c2cccc3c2N(CC3)CCN1CCN(Cc1ccccn1)C1CCCC1 ZINC000019401385 210248390 /nfs/dbraw/zinc/24/83/90/210248390.db2.gz RJFUIXPJJSHIEK-UHFFFAOYSA-N 0 3 390.531 3.345 40 0 GGABHN CC(C)Oc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc1 ZINC000019450678 210247985 /nfs/dbraw/zinc/24/79/85/210247985.db2.gz NOKPMCZKEVJZNN-UHFFFAOYSA-N 0 3 390.487 3.220 40 0 GGABHN CC(C)Oc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc1 ZINC000019450678 210247990 /nfs/dbraw/zinc/24/79/90/210247990.db2.gz NOKPMCZKEVJZNN-UHFFFAOYSA-N 0 3 390.487 3.220 40 0 GGABHN O=C(NCc1ccncc1)c1cc([C@H]2CCCN(CCc3ccccc3)C2)no1 ZINC000019371286 210247167 /nfs/dbraw/zinc/24/71/67/210247167.db2.gz HWFPZEOLZVDUAA-FQEVSTJZSA-N 0 3 390.487 3.422 40 0 GGABHN O=C1CCCN1c1ccc(CN2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)cc1 ZINC000019375240 210246630 /nfs/dbraw/zinc/24/66/30/210246630.db2.gz NZKUPYGJFPBIMJ-XMMPIXPASA-N 0 3 389.499 3.134 40 0 GGABHN O=C(NC1CC1)c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 ZINC000019376081 210246027 /nfs/dbraw/zinc/24/60/27/210246027.db2.gz FCEZSXNVQLRORY-INIZCTEOSA-N 0 3 376.460 3.495 40 0 GGABHN O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3ccccc3)C2)no1 ZINC000019371980 210246094 /nfs/dbraw/zinc/24/60/94/210246094.db2.gz DYUVCZBPXIXLLP-IBGZPJMESA-N 0 3 376.460 3.379 40 0 GGABHN O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(CCc3ccccc3)C2)no1 ZINC000019371284 210245911 /nfs/dbraw/zinc/24/59/11/210245911.db2.gz HWFPZEOLZVDUAA-HXUWFJFHSA-N 0 3 390.487 3.422 40 0 GGABHN O=C(NC1CC1)c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 ZINC000019376080 210245451 /nfs/dbraw/zinc/24/54/51/210245451.db2.gz FCEZSXNVQLRORY-MRXNPFEDSA-N 0 3 376.460 3.495 40 0 GGABHN O=C(N1CCC[C@H]1c1ncc2c(n1)CCNC2)C1(c2cccc(F)c2)CCCC1 ZINC000019293624 210239971 /nfs/dbraw/zinc/23/99/71/210239971.db2.gz HCWHJOIBQINCRQ-FQEVSTJZSA-N 0 3 394.494 3.437 40 0 GGABHN O=C(c1cc2c(s1)CCCCC2)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019292484 210238451 /nfs/dbraw/zinc/23/84/51/210238451.db2.gz XWVWNXXXYYLAHJ-KRWDZBQOSA-N 0 3 382.533 3.430 40 0 GGABHN O=C(c1cc(C2CCCCC2)no1)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019292191 210238108 /nfs/dbraw/zinc/23/81/08/210238108.db2.gz QLTIBDBZDKWMQT-QGZVFWFLSA-N 0 3 381.480 3.135 40 0 GGABHN O=C(c1csc2c1CCCC2)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292311 210237805 /nfs/dbraw/zinc/23/78/05/210237805.db2.gz JMQJYQCLUDHDFW-AWEZNQCLSA-N 0 3 382.533 3.082 40 0 GGABHN Cc1nc(C)n(C[C@H](C)C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)n1 ZINC000019285916 210234806 /nfs/dbraw/zinc/23/48/06/210234806.db2.gz CPHCIXYNFCJHDM-UWJYYQICSA-N 0 3 383.540 3.265 40 0 GGABHN COc1ccccc1-c1nnc2n1[C@H]1CN(Cc3cccc(C)n3)C[C@H]1CC2 ZINC000019236338 210233344 /nfs/dbraw/zinc/23/33/44/210233344.db2.gz YMZIAMPPBKTYLG-APWZRJJASA-N 0 3 375.476 3.276 40 0 GGABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019220423 210231270 /nfs/dbraw/zinc/23/12/70/210231270.db2.gz DQENDAVOBAABTG-GOSISDBHSA-N 0 3 376.460 3.463 40 0 GGABHN Cc1ccc(OC(C)(C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)cc1C ZINC000019214087 210230653 /nfs/dbraw/zinc/23/06/53/210230653.db2.gz GWQQEJMKMOCDOA-FQEVSTJZSA-N 0 3 394.519 3.260 40 0 GGABHN Cc1ccc([C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)cc1 ZINC000019136141 210228857 /nfs/dbraw/zinc/22/88/57/210228857.db2.gz BXZHSGXQEOCDQC-IEBWSBKVSA-N 0 3 378.520 3.283 40 0 GGABHN COc1cc(C)ccc1CN1CCC(c2ncc3c(n2)CCN(C(C)=O)C3)CC1 ZINC000019133926 210228006 /nfs/dbraw/zinc/22/80/06/210228006.db2.gz VDNQYCDGEOJJQZ-UHFFFAOYSA-N 0 3 394.519 3.078 40 0 GGABHN Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1 ZINC000019132727 210227670 /nfs/dbraw/zinc/22/76/70/210227670.db2.gz NOYKNBWGDUAAKS-FXAWDEMLSA-N 0 3 394.519 3.212 40 0 GGABHN CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cc3c(cc2C)OCO3)CC1 ZINC000019125528 210227703 /nfs/dbraw/zinc/22/77/03/210227703.db2.gz BYHBLPPJKIVAFD-QFIPXVFZSA-N 0 3 381.476 3.208 40 0 GGABHN Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1 ZINC000019132735 210227756 /nfs/dbraw/zinc/22/77/56/210227756.db2.gz NOYKNBWGDUAAKS-PXNSSMCTSA-N 0 3 394.519 3.212 40 0 GGABHN COc1ccc(C)cc1CN1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019133413 210226565 /nfs/dbraw/zinc/22/65/65/210226565.db2.gz VEMZEDDWRGNQDD-HYVNUMGLSA-N 0 3 391.466 3.498 40 0 GGABHN CC(=O)N1CCC(c2ncc3c(n2)CCN(CCCc2ccccc2)C3)CC1 ZINC000019016862 210222397 /nfs/dbraw/zinc/22/23/97/210222397.db2.gz GJMMKHOGPCEAMB-UHFFFAOYSA-N 0 3 378.520 3.193 40 0 GGABHN CCOc1cc(CN2CCC[C@@H]2c2ccc(OC)cc2)ccc1OCC(N)=O ZINC000015836983 210172547 /nfs/dbraw/zinc/17/25/47/210172547.db2.gz LKLPEOFUTHCLNO-LJQANCHMSA-N 0 3 384.476 3.295 40 0 GGABHN C[C@@H]1C[C@H](C)C[N@@H+](CCC[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000013669574 210075737 /nfs/dbraw/zinc/07/57/37/210075737.db2.gz DAOVIHDXYIGVMZ-TXEJJXNPSA-N 0 3 395.388 3.157 40 0 GGABHN C[C@@H]1C[C@H](C)C[N@H+](CCC[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000013669574 210075743 /nfs/dbraw/zinc/07/57/43/210075743.db2.gz DAOVIHDXYIGVMZ-TXEJJXNPSA-N 0 3 395.388 3.157 40 0 GGABHN CS(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000007850524 209748362 /nfs/dbraw/zinc/74/83/62/209748362.db2.gz DIGIVFKASIYYQJ-UHFFFAOYSA-N 0 3 386.517 3.006 40 0 GGABHN CC(C)NC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2cccs2)nn1C ZINC000008635843 291125225 /nfs/dbraw/zinc/12/52/25/291125225.db2.gz AJHJWCBMYCWYMZ-XHSDSOJGSA-N 0 3 388.537 3.461 40 0 biogenic,in-vitro GGABHN COc1cc(C(=O)O[C@H]2c3ccccc3CC[C@@H]2N(C)C)cc(OC)c1OC ZINC000001568915 209332402 /nfs/dbraw/zinc/33/24/02/209332402.db2.gz IARDCPCJCDYEEM-PXNSSMCTSA-N 0 3 385.460 3.487 40 0 GGABHN CNC(=O)Nc1c(OC)c2ccoc2c(OC)c1OCCN1CCCCC1 ZINC000001843119 209341330 /nfs/dbraw/zinc/34/13/30/209341330.db2.gz ZXISMUFCWBYFTO-UHFFFAOYSA-N 0 3 377.441 3.066 40 0 GGABHN CCC(=O)NCC1(c2ccccc2)CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000001668925 209335840 /nfs/dbraw/zinc/33/58/40/209335840.db2.gz MMFQWLSKHSJMBY-HXUWFJFHSA-N 0 3 394.515 3.386 40 0 GGABHN Cc1cc(C)c2oc(=O)cc(CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c2c1 ZINC000036632748 209246018 /nfs/dbraw/zinc/24/60/18/209246018.db2.gz UXEGYJSAUDZRFM-FUHWJXTLSA-N 0 3 376.456 3.191 40 0 GGABHN Cc1cc(C)c2c(CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)cc(=O)oc2c1 ZINC000036729351 209246262 /nfs/dbraw/zinc/24/62/62/209246262.db2.gz VEZJGYLSHJNESB-DLBZAZTESA-N 0 3 376.456 3.191 40 0 GGABHN Cc1ccc2c(c1)cc(CNc1ccc(N3CCN(C)CC3)cc1)c(=O)n2C ZINC000013564233 209193011 /nfs/dbraw/zinc/19/30/11/209193011.db2.gz WOLZGNYYIWNNSC-UHFFFAOYSA-N 0 3 376.504 3.211 40 0 GGABHN CCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(N)c2)c1 ZINC000226263673 209187454 /nfs/dbraw/zinc/18/74/54/209187454.db2.gz HASCEKQWLROLFE-UHFFFAOYSA-N 0 3 382.508 3.452 40 0 GGABHN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000028632086 209180006 /nfs/dbraw/zinc/18/00/06/209180006.db2.gz UNUKHAWJCVUVAK-HXUWFJFHSA-N 0 3 385.508 3.206 40 0 GGABHN COc1ccc(-c2cnc3n2C[C@@H]2CN(Cc4cccnc4OC)C[C@H]2C3)cc1 ZINC000306143808 212055547 /nfs/dbraw/zinc/05/55/47/212055547.db2.gz YNHLGPJMOVEZLT-MOPGFXCFSA-N 0 3 390.487 3.267 40 0 GGABHN CN1CC2(CCN(Cc3cccs3)CC2)c2nn(CC3CCC3)cc2C1=O ZINC000306143482 212055321 /nfs/dbraw/zinc/05/53/21/212055321.db2.gz YDGRTOTURRKOTJ-UHFFFAOYSA-N 0 3 384.549 3.364 40 0 GGABHN COc1ccc(CN2CC[C@@]3(C2)COCC[C@@H]3NC(=O)Cc2ccccc2)cc1 ZINC000306144700 212055216 /nfs/dbraw/zinc/05/52/16/212055216.db2.gz ZMNLKWUIJXDTHN-LADGPHEKSA-N 0 3 394.515 3.035 40 0 GGABHN CC(C)n1cnc([C@H]2CN(Cc3ccoc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306137317 212053216 /nfs/dbraw/zinc/05/32/16/212053216.db2.gz QSPFZTCTYCSCOY-KNQAVFIVSA-N 0 3 382.508 3.285 40 0 GGABHN CC(C)CN1CCO[C@@]2(CCCC[C@H]2NC(=O)C2=NO[C@H](c3ccccc3)C2)C1 ZINC000306139097 212052873 /nfs/dbraw/zinc/05/28/73/212052873.db2.gz SPFOGQUHCDVFME-XJUOHMSHSA-N 0 3 399.535 3.290 40 0 GGABHN Cc1ccc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)s1 ZINC000306138979 212052574 /nfs/dbraw/zinc/05/25/74/212052574.db2.gz SMEWWWIUIAYCSY-QGZVFWFLSA-N 0 3 397.548 3.315 40 0 GGABHN CC(C)n1cnc([C@@H]2CN(Cc3cccnc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136109 212051858 /nfs/dbraw/zinc/05/18/58/212051858.db2.gz PJNLVGDXWMRPSK-NZQKXSOJSA-N 0 3 393.535 3.087 40 0 GGABHN Cc1cc(CN2CC[C@]3(c4ccccc4)CC[C@H](N4CCOCC4)C[C@@H]23)no1 ZINC000306134130 212051074 /nfs/dbraw/zinc/05/10/74/212051074.db2.gz NEAZVQYXKWMKJJ-ZRBLBEILSA-N 0 3 381.520 3.380 40 0 GGABHN CC(C)n1cnc([C@@H]2CN(Cc3cccnc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136111 212051119 /nfs/dbraw/zinc/05/11/19/212051119.db2.gz PJNLVGDXWMRPSK-REWPJTCUSA-N 0 3 393.535 3.087 40 0 GGABHN CC(C)n1cnc([C@H]2CN(Cc3ccccn3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306135492 212050789 /nfs/dbraw/zinc/05/07/89/212050789.db2.gz OSRMFUITWKGIJI-OFNKIYASSA-N 0 3 393.535 3.087 40 0 GGABHN Cc1cc(CN2CC[C@]3(c4ccccc4)CC[C@@H](N4CCOCC4)C[C@@H]23)no1 ZINC000306134129 212050575 /nfs/dbraw/zinc/05/05/75/212050575.db2.gz NEAZVQYXKWMKJJ-ZLNRFVROSA-N 0 3 381.520 3.380 40 0 GGABHN CN1CC2(C1)CN(Cc1ccco1)C[C@]21CCCN(C(=O)c2ccsc2)CC1 ZINC000306137904 212053907 /nfs/dbraw/zinc/05/39/07/212053907.db2.gz RJTOLNPUUHYWQH-OAQYLSRUSA-N 0 3 399.560 3.401 40 0 GGABHN Cc1ccsc1CN1CCN(C2=NO[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000306130940 212049708 /nfs/dbraw/zinc/04/97/08/212049708.db2.gz JSXAJCKQUBLNDB-VQTJNVASSA-N 0 3 396.560 3.018 40 0 GGABHN Cc1cccc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)n1 ZINC000306129809 212046513 /nfs/dbraw/zinc/04/65/13/212046513.db2.gz INNIFPVWTRHGKB-GOSISDBHSA-N 0 3 376.508 3.413 40 0 GGABHN COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccncc4)C2)OC3)cc1 ZINC000306127109 212045001 /nfs/dbraw/zinc/04/50/01/212045001.db2.gz FOPXSNKLGHAXFF-JOCHJYFZSA-N 0 3 376.460 3.129 40 0 GGABHN c1csc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306125892 212044654 /nfs/dbraw/zinc/04/46/54/212044654.db2.gz DEUJVYWCXGFAOH-MRXNPFEDSA-N 0 3 383.521 3.007 40 0 GGABHN C[C@H](C(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1)N1CCCC1 ZINC000257331585 212026042 /nfs/dbraw/zinc/02/60/42/212026042.db2.gz XTMPCDJNDGLTDG-QGZVFWFLSA-N 0 3 389.503 3.250 40 0 GGABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ncccn1)[C@H]2Cc1ccccc1 ZINC000257319502 212023507 /nfs/dbraw/zinc/02/35/07/212023507.db2.gz VSVPIFGRZVUJPR-PYRYHMDCSA-N 0 3 376.504 3.175 40 0 GGABHN Cc1noc(C)c1-c1cc([C@@H]2CCCN2C(=O)C2(C)CCN(C)CC2)nc(C)n1 ZINC000257308657 212022988 /nfs/dbraw/zinc/02/29/88/212022988.db2.gz TXPFRICOTYLFPT-IBGZPJMESA-N 0 3 397.523 3.452 40 0 GGABHN Cc1nc([C@H]2CCN(Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257299422 212019119 /nfs/dbraw/zinc/01/91/19/212019119.db2.gz RPZYISXAGGJXFQ-SFHVURJKSA-N 0 3 384.499 3.289 40 0 GGABHN COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1cccnc1)CN2Cc1ccc(Cl)cc1 ZINC000257288926 212018475 /nfs/dbraw/zinc/01/84/75/212018475.db2.gz PWGUTGVJANEEBH-NJDAHSKKSA-N 0 3 399.922 3.198 40 0 GGABHN O=C1N[C@@H](c2ccccc2)[C@H](O)CC12CCN(Cc1ccc(F)cc1F)CC2 ZINC000257291672 212018340 /nfs/dbraw/zinc/01/83/40/212018340.db2.gz QICOQDAKVKMUKA-UXHICEINSA-N 0 3 386.442 3.169 40 0 GGABHN COc1ccccc1-c1cccc(CC2(C(=O)NCCN(C)C)CCOCC2)c1 ZINC000257278281 212016045 /nfs/dbraw/zinc/01/60/45/212016045.db2.gz OBOOUUPQONSARY-UHFFFAOYSA-N 0 3 396.531 3.379 40 0 GGABHN Cn1cc(CN2CCC(CCc3ccnc(Nc4cnccn4)c3)CC2)cn1 ZINC000257244716 212010944 /nfs/dbraw/zinc/01/09/44/212010944.db2.gz IMMOMPLJIBFVID-UHFFFAOYSA-N 0 3 377.496 3.194 40 0 GGABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)cc1 ZINC000257251749 212010466 /nfs/dbraw/zinc/01/04/66/212010466.db2.gz JSBNKEUIJZJWPM-KRWDZBQOSA-N 0 3 388.537 3.428 40 0 GGABHN COc1cccc(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)N4C)on2)c1 ZINC000257238772 212009368 /nfs/dbraw/zinc/00/93/68/212009368.db2.gz HMMBKDFLGOBWKL-KJLVNVKXSA-N 0 3 381.476 3.438 40 0 GGABHN Cc1ccc(CN2CC[C@@H](c3nc(C)c(CC(=O)N(C)C)c(C)n3)C2)cc1C ZINC000257234730 212009232 /nfs/dbraw/zinc/00/92/32/212009232.db2.gz GUWHTCBWFPRRJE-HXUWFJFHSA-N 0 3 380.536 3.330 40 0 GGABHN CNC(=O)c1sc2nc([C@]3(C)CCCN(Cc4cccnc4)C3)ccc2c1N ZINC000257222520 212005906 /nfs/dbraw/zinc/00/59/06/212005906.db2.gz DTPHUXKZCNDNJE-OAQYLSRUSA-N 0 3 395.532 3.187 40 0 GGABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000257215861 212005159 /nfs/dbraw/zinc/00/51/59/212005159.db2.gz CRZRSSJSNDCCTK-HNNXBMFYSA-N 0 3 392.500 3.259 40 0 GGABHN COCCN1CCC(Cc2nccnc2N2CC3(CCCCC3)OC2=O)CC1 ZINC000257214094 212003974 /nfs/dbraw/zinc/00/39/74/212003974.db2.gz CKMPKAZNTBFBAN-UHFFFAOYSA-N 0 3 388.512 3.037 40 0 GGABHN Cc1cc(Nc2cc(C[C@@H]3CCCN(Cc4cccnc4)C3)nc(C)n2)n[nH]1 ZINC000257204004 212002731 /nfs/dbraw/zinc/00/27/31/212002731.db2.gz ASPRZIBYHBOCDJ-KRWDZBQOSA-N 0 3 377.496 3.410 40 0 GGABHN Cc1nc([C@@H]2CCN(CC3CC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000257201940 212001845 /nfs/dbraw/zinc/00/18/45/212001845.db2.gz AJSBCVNBFGKEGQ-LJQANCHMSA-N 0 3 376.504 3.464 40 0 GGABHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccnc(O[C@@H]2CCSC2)c1 ZINC000225722005 211919918 /nfs/dbraw/zinc/91/99/18/211919918.db2.gz HJGSLZNVVQBCPC-HXUWFJFHSA-N 0 3 397.544 3.360 40 0 GGABHN C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1c([O-])occ(CN3CCSCC3)c1=O)C2 ZINC000101363128 211397764 /nfs/dbraw/zinc/39/77/64/211397764.db2.gz JXBIULDEWRYAKA-IIBYNOLFSA-N 0 3 392.565 3.295 40 0 GGABHN C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])occ(CN3CCSCC3)c1=O)C2 ZINC000101363128 211397766 /nfs/dbraw/zinc/39/77/66/211397766.db2.gz JXBIULDEWRYAKA-IIBYNOLFSA-N 0 3 392.565 3.295 40 0 GGABHN CN(C)c1nc2c(cc1C(=O)N1CCCC1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096260384 211327230 /nfs/dbraw/zinc/32/72/30/211327230.db2.gz PBXXCZQKTWSHGS-UHFFFAOYSA-N 0 3 396.510 3.124 40 0 GGABHN COc1ccc(CN2CC[C@@]3(C2)COCc2c(C)nc(NCC4CC4)nc23)cc1 ZINC000096244496 211325510 /nfs/dbraw/zinc/32/55/10/211325510.db2.gz FKPAZSOVEZBAHY-HSZRJFAPSA-N 0 3 394.519 3.289 40 0 GGABHN Cc1ccccc1CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(C)[C@H]2CC1 ZINC000096145702 211310094 /nfs/dbraw/zinc/31/00/94/211310094.db2.gz SRWUODAFLTVDAS-OALUTQOASA-N 0 3 386.517 3.041 40 0 GGABHN CS(=O)(=O)N1CCC2(C[C@@H](NCc3cccs3)c3ccccc32)CC1 ZINC000096241513 211323785 /nfs/dbraw/zinc/32/37/85/211323785.db2.gz JHKJKABQRZWLAI-GOSISDBHSA-N 0 3 376.547 3.276 40 0 GGABHN O=C(NCc1cccnc1)N1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216363 211320369 /nfs/dbraw/zinc/32/03/69/211320369.db2.gz ROHFIBJGTHDEQY-HSZRJFAPSA-N 0 3 394.519 3.158 40 0 GGABHN Cc1ccc(CN2CCOC[C@@]3(C[C@H](CNc4ncccc4F)CO3)C2)s1 ZINC000096078455 211299226 /nfs/dbraw/zinc/29/92/26/211299226.db2.gz SXLKXNLKTONBJP-OXQOHEQNSA-N 0 3 391.512 3.310 40 0 GGABHN CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1cccs1)CC2 ZINC000096037012 211296809 /nfs/dbraw/zinc/29/68/09/211296809.db2.gz LUWTULSWBRXENH-UHFFFAOYSA-N 0 3 396.564 3.172 40 0 GGABHN O=S(=O)(N[C@@H]1CCC12CCN(Cc1ccsc1)CC2)c1ccccc1 ZINC000096051618 211295897 /nfs/dbraw/zinc/29/58/97/211295897.db2.gz ZDUVRPHBAUSDGG-GOSISDBHSA-N 0 3 376.547 3.471 40 0 GGABHN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000096024375 211295102 /nfs/dbraw/zinc/29/51/02/211295102.db2.gz CTBZCSWJXDUEHD-IBGZPJMESA-N 0 3 389.540 3.317 40 0 GGABHN COc1cccc(Oc2cc(C)nc([C@@H]3CCCN(C(=O)C(C)(C)N)C3)n2)c1 ZINC000072363057 211103694 /nfs/dbraw/zinc/10/36/94/211103694.db2.gz QYVQGSINQDBWTC-OAHLLOKOSA-N 0 3 384.480 3.029 40 0 GGABHN Cn1cc(-c2cc(NC[C@H](c3ccc(F)cc3)N3CCCCC3)nc(N)n2)cn1 ZINC000072373206 211103168 /nfs/dbraw/zinc/10/31/68/211103168.db2.gz SLTXBEYOXAAIPF-LJQANCHMSA-N 0 3 395.486 3.238 40 0 GGABHN Cn1cc(CN2CC[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 ZINC000072371564 211102363 /nfs/dbraw/zinc/10/23/63/211102363.db2.gz OKTHOIFFJQAKAG-MRXNPFEDSA-N 0 3 385.899 3.408 40 0 GGABHN Cn1cc(CN2CC[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000072371564 211102369 /nfs/dbraw/zinc/10/23/69/211102369.db2.gz OKTHOIFFJQAKAG-MRXNPFEDSA-N 0 3 385.899 3.408 40 0 GGABHN COc1ccccc1OCCc1cc([C@@H]2CCN(Cc3cnn(C)c3C)C2)[nH]n1 ZINC000072371458 211102572 /nfs/dbraw/zinc/10/25/72/211102572.db2.gz YDNHVNQCEFRJKX-QGZVFWFLSA-N 0 3 395.507 3.071 40 0 GGABHN COc1ccccc1OCCc1cc([C@@H]2CCN(Cc3cnn(C)c3C)C2)n[nH]1 ZINC000072371458 211102576 /nfs/dbraw/zinc/10/25/76/211102576.db2.gz YDNHVNQCEFRJKX-QGZVFWFLSA-N 0 3 395.507 3.071 40 0 GGABHN CN1CCC(C(=O)N2CCC(c3cncc(Oc4cccc(F)c4)n3)CC2)CC1 ZINC000072363248 211102213 /nfs/dbraw/zinc/10/22/13/211102213.db2.gz TXUFFVKMMJVEPX-UHFFFAOYSA-N 0 3 398.482 3.456 40 0 GGABHN c1cc(CN2CCC[C@H](c3nnc4n3CCNC4)C2)cc(OC2CCCC2)c1 ZINC000072372127 211102159 /nfs/dbraw/zinc/10/21/59/211102159.db2.gz PWYWSNSOYPQDEA-SFHVURJKSA-N 0 3 381.524 3.082 40 0 GGABHN CC(=O)N1CCC(N2CC[C@@H](c3nc(C)cc(Oc4ccccc4)n3)C2)CC1 ZINC000072384365 211108263 /nfs/dbraw/zinc/10/82/63/211108263.db2.gz XUBUJPRHWSSZEP-GOSISDBHSA-N 0 3 380.492 3.378 40 0 GGABHN COc1ccc(CN2CC[C@H](c3nc(-c4cccnc4)no3)C2)c(OC)c1OC ZINC000072389895 211108124 /nfs/dbraw/zinc/10/81/24/211108124.db2.gz VBNXRHKRTGXQFH-INIZCTEOSA-N 0 3 396.447 3.147 40 0 GGABHN COc1ccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCC4)[nH]n3)C2)cc1 ZINC000072380589 211108010 /nfs/dbraw/zinc/10/80/10/211108010.db2.gz YEOSZAOSLSIGQB-QGZVFWFLSA-N 0 3 382.508 3.470 40 0 GGABHN CN1CCC(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)CC1 ZINC000072377279 211105763 /nfs/dbraw/zinc/10/57/63/211105763.db2.gz NTQFUMXUIVUVAQ-LJQANCHMSA-N 0 3 397.498 3.260 40 0 GGABHN CN1CCC(Nc2n[nH]c3nc([C@@H]4CCCN4C(=O)C4CCCC4)ccc23)CC1 ZINC000072374525 211105603 /nfs/dbraw/zinc/10/56/03/211105603.db2.gz HWLKWLAPOMSGIN-IBGZPJMESA-N 0 3 396.539 3.318 40 0 GGABHN CN1CCC(Nc2n[nH]c3nc([C@H]4CCCN4C(=O)C4CCCC4)ccc23)CC1 ZINC000072374526 211105040 /nfs/dbraw/zinc/10/50/40/211105040.db2.gz HWLKWLAPOMSGIN-LJQANCHMSA-N 0 3 396.539 3.318 40 0 GGABHN CC(=O)N1CCC(N2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)CC1 ZINC000072346205 211094492 /nfs/dbraw/zinc/09/44/92/211094492.db2.gz KOVMYZOFSGOIET-QGZVFWFLSA-N 0 3 397.498 3.055 40 0 GGABHN COC(=O)[C@@]1(Cc2ccccc2)C(=O)C[C@@H]2CC[C@H]1N2Cc1cccc(OC)c1 ZINC000072341105 211093657 /nfs/dbraw/zinc/09/36/57/211093657.db2.gz PEBADQGRNASMPF-XZDHIHRUSA-N 0 3 393.483 3.403 40 0 GGABHN Cc1noc(C)c1CC(=O)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355218 211098014 /nfs/dbraw/zinc/09/80/14/211098014.db2.gz WEGCNLCTTRSMCW-LJQANCHMSA-N 0 3 396.535 3.175 40 0 GGABHN CN(C)CCOC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000021788808 210392902 /nfs/dbraw/zinc/39/29/02/210392902.db2.gz MVJISVBIPJZWEU-UHFFFAOYSA-N 0 3 378.354 3.134 40 0 GGABHN O=C(c1cnn2c1nc(C1CC1)cc2C(F)F)N1CCC[C@H](N2CCCC2)C1 ZINC000019715343 210286392 /nfs/dbraw/zinc/28/63/92/210286392.db2.gz WITGBKNOXPCXQI-AWEZNQCLSA-N 0 3 389.450 3.245 40 0 GGABHN c1cc(CN2CCC[C@@H]2c2nnc3n2CCNCC3)cc(OC2CCCC2)c1 ZINC000019710795 210286494 /nfs/dbraw/zinc/28/64/94/210286494.db2.gz FWWBSKQACUBGPI-HXUWFJFHSA-N 0 3 381.524 3.082 40 0 GGABHN c1cc(OC2CCCC2)ccc1CN1CCC[C@H]1c1nnc2n1CCNCC2 ZINC000019710794 210286521 /nfs/dbraw/zinc/28/65/21/210286521.db2.gz IUJVKXWORTZBHH-FQEVSTJZSA-N 0 3 381.524 3.082 40 0 GGABHN CNCc1cc(NC)nc([C@@H]2CCCN2Cc2ccc(OC)c(OC(C)C)c2)n1 ZINC000019760591 210296304 /nfs/dbraw/zinc/29/63/04/210296304.db2.gz ODAUTZITRZSKAH-SFHVURJKSA-N 0 3 399.539 3.371 40 0 GGABHN CNCc1cc(NC)nc([C@H]2CCCN2Cc2ccc(OC)c(OC(C)C)c2)n1 ZINC000019760593 210295746 /nfs/dbraw/zinc/29/57/46/210295746.db2.gz ODAUTZITRZSKAH-GOSISDBHSA-N 0 3 399.539 3.371 40 0 GGABHN Cc1nc(C2CCN(CCc3ccccc3)CC2)ncc1C(=O)N1CCCC1 ZINC000019753599 210293138 /nfs/dbraw/zinc/29/31/38/210293138.db2.gz ADLBZQGJLJUKPP-UHFFFAOYSA-N 0 3 378.520 3.443 40 0 GGABHN Cc1nc(C2CCN(CC3=CCCOC3)CC2)nc2c1CCC(=O)N2CC1CC1 ZINC000019739348 210290656 /nfs/dbraw/zinc/29/06/56/210290656.db2.gz ZQLCNZIJYITNQK-UHFFFAOYSA-N 0 3 396.535 3.000 40 0 GGABHN COc1ccc2c(c1)OCC(CN(C)Cc1ccccc1N1CCOCC1)=C2 ZINC000019715756 210287669 /nfs/dbraw/zinc/28/76/69/210287669.db2.gz BKHPAMAWUQVTPW-UHFFFAOYSA-N 0 3 380.488 3.440 40 0 GGABHN Cc1cc(C)n(Cc2cc(C(=O)N[C@@H](C)CN3CCCC3)c3ccccc3n2)n1 ZINC000019716457 210287781 /nfs/dbraw/zinc/28/77/81/210287781.db2.gz ZEGACCIFZSOMHQ-KRWDZBQOSA-N 0 3 391.519 3.311 40 0 GGABHN Cc1ccnn1Cc1cc(C(=O)N[C@@H](C)CN2CCCC2)c2ccccc2n1 ZINC000019716431 210287647 /nfs/dbraw/zinc/28/76/47/210287647.db2.gz JVCBVIPKZFEIQS-INIZCTEOSA-N 0 3 377.492 3.002 40 0 GGABHN CCn1cc(-c2cc(C(=O)N[C@@H](C)CN3CCCC3)c3ccccc3n2)cn1 ZINC000019716474 210287453 /nfs/dbraw/zinc/28/74/53/210287453.db2.gz BJFTXDCGNRZCOH-INIZCTEOSA-N 0 3 377.492 3.332 40 0 GGABHN c1cc(CN2CCC[C@H]2c2nnc3n2CCNCC3)cc(OC2CCCC2)c1 ZINC000019710796 210286831 /nfs/dbraw/zinc/28/68/31/210286831.db2.gz FWWBSKQACUBGPI-FQEVSTJZSA-N 0 3 381.524 3.082 40 0 GGABHN C[C@@H]1CCCCN1Cc1cccc(NC(=O)c2ccc(Cn3cnnn3)cc2)c1 ZINC000019714824 210286565 /nfs/dbraw/zinc/28/65/65/210286565.db2.gz BRYRGRJJWNEVRG-QGZVFWFLSA-N 0 3 390.491 3.348 40 0 GGABHN O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H]1c1nnc2n1CCNCC2 ZINC000019706366 210283063 /nfs/dbraw/zinc/28/30/63/210283063.db2.gz SMUHDWQGWKFHKU-HXUWFJFHSA-N 0 3 387.487 3.068 40 0 GGABHN CC(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3C(=O)c3ccccc3)c2)CC1 ZINC000019698130 210282312 /nfs/dbraw/zinc/28/23/12/210282312.db2.gz GJMQOFKQCMWPSY-JOCHJYFZSA-N 0 3 392.503 3.036 40 0 GGABHN CC(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3C(=O)CC3CCCC3)c2)CC1 ZINC000019698298 210282179 /nfs/dbraw/zinc/28/21/79/210282179.db2.gz LRSXHIDXZWBLAN-JOCHJYFZSA-N 0 3 398.551 3.302 40 0 GGABHN Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000019698120 210281389 /nfs/dbraw/zinc/28/13/89/210281389.db2.gz GBDOWDBBDOCWHZ-JOCHJYFZSA-N 0 3 396.510 3.187 40 0 GGABHN Cc1ccc(CC(=O)N2CCC[C@@H]2c2cc(N3CCN(C)CC3)cc(C)n2)cc1 ZINC000019698206 210280993 /nfs/dbraw/zinc/28/09/93/210280993.db2.gz ZWXNHTXAPVQNCB-HSZRJFAPSA-N 0 3 392.547 3.356 40 0 GGABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cccnc2)C1 ZINC000019591766 210275694 /nfs/dbraw/zinc/27/56/94/210275694.db2.gz KKMOIIUCTCCSJE-XMMPIXPASA-N 0 3 386.499 3.324 40 0 GGABHN Cc1c(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c2ccccc2n1C ZINC000019581733 210271174 /nfs/dbraw/zinc/27/11/74/210271174.db2.gz RCDNGXLZIUWIEK-HXUWFJFHSA-N 0 3 389.503 3.242 40 0 GGABHN CN(C)C[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2 ZINC000019581972 210269882 /nfs/dbraw/zinc/26/98/82/210269882.db2.gz QZIJUFAMMDJBHI-IJEWVQPXSA-N 0 3 399.461 3.137 40 0 GGABHN COc1ccccc1CN1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019570253 210268302 /nfs/dbraw/zinc/26/83/02/210268302.db2.gz WBYKSJLVVXNTSP-CWRNSKLLSA-N 0 3 377.439 3.189 40 0 GGABHN COCCOc1cccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c1 ZINC000019593775 210274299 /nfs/dbraw/zinc/27/42/99/210274299.db2.gz JEVFVYBGQFLEPF-TYABSZSSSA-N 0 3 382.504 3.227 40 0 GGABHN COc1ncccc1-c1cc(=O)[n-]c(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019594705 210274174 /nfs/dbraw/zinc/27/41/74/210274174.db2.gz RALFGTVVVLMSGA-UHFFFAOYSA-N 0 3 391.475 3.329 40 0 GGABHN COCc1ccc(OC)c(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019590318 210273457 /nfs/dbraw/zinc/27/34/57/210273457.db2.gz DBWLLXGQBPQNDK-OAQYLSRUSA-N 0 3 396.535 3.347 40 0 GGABHN COc1ccc(OC)c(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019590320 210272897 /nfs/dbraw/zinc/27/28/97/210272897.db2.gz XNUZLTTXRNMQHY-HXUWFJFHSA-N 0 3 382.508 3.209 40 0 GGABHN CN1CCc2nc([C@@H]3CCCN3C(=O)c3ccc(N4CCCC4)cc3)ncc2C1 ZINC000019590552 210271700 /nfs/dbraw/zinc/27/17/00/210271700.db2.gz KLEDFHOTKWCPPS-NRFANRHFSA-N 0 3 391.519 3.042 40 0 GGABHN CCCN1C[C@@H](c2ccc(OC)cc2)[C@H](NC(=O)c2ccc(OC)c(OC)c2)C1 ZINC000012364767 221184415 /nfs/dbraw/zinc/18/44/15/221184415.db2.gz SUTNPAGIDLBCKP-VQTJNVASSA-N 0 3 398.503 3.320 40 0 GGABHN C[C@H]1CCCN(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182698 221162595 /nfs/dbraw/zinc/16/25/95/221162595.db2.gz FBCKMAABBGCLJQ-JCGIZDLHSA-N 0 3 388.512 3.119 40 0 GGABHN COc1ccc2c(c1)C=C(CN(Cc1ccc3c(c1)OCO3)C[C@H](C)O)CO2 ZINC000012185683 221163538 /nfs/dbraw/zinc/16/35/38/221163538.db2.gz JARVVCYZZBEXPR-HNNXBMFYSA-N 0 3 383.444 3.083 40 0 GGABHN Cn1nnnc1-c1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000014518798 221310524 /nfs/dbraw/zinc/31/05/24/221310524.db2.gz IIQCPNYTRYIVTG-UHFFFAOYSA-N 0 3 376.464 3.115 40 0 GGABHN CN(CCCNC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccccc1 ZINC000040069013 132393462 /nfs/dbraw/zinc/39/34/62/132393462.db2.gz PYSMPGXDKQSMDZ-UHFFFAOYSA-N 0 3 384.499 3.179 40 0 GGABHN CCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN(C)CC4)cc3)cc2c1 ZINC000072396113 136169137 /nfs/dbraw/zinc/16/91/37/136169137.db2.gz GUOGDDXBYUZMBI-UHFFFAOYSA-N 0 3 376.504 3.454 40 0 GGABHN c1csc(CN2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)c1 ZINC000096038290 136183295 /nfs/dbraw/zinc/18/32/95/136183295.db2.gz BMBYYQMIJZUDCP-UHFFFAOYSA-N 0 3 383.521 3.007 40 0 GGABHN CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN(C)CC4)cc3)cc2c1 ZINC000013562995 136201265 /nfs/dbraw/zinc/20/12/65/136201265.db2.gz YEDOCUYFOLSPFZ-UHFFFAOYSA-N 0 3 392.503 3.291 40 0 GGABHN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000018892183 136202334 /nfs/dbraw/zinc/20/23/34/136202334.db2.gz HMQZEKHDTMQLLL-WUXMJOGZSA-N 0 3 395.503 3.498 40 0 GGABHN CN(C)c1cnnc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000224308684 136206718 /nfs/dbraw/zinc/20/67/18/136206718.db2.gz CJVQGBAYJHGGLZ-UHFFFAOYSA-N 0 3 387.487 3.172 40 0 GGABHN CCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCC(N)=O ZINC000022074543 528277113 /nfs/dbraw/zinc/27/71/13/528277113.db2.gz WDYOFOXZCAYFKC-UHFFFAOYSA-N 0 3 380.847 3.074 40 0 GGABHN COc1ccc(CNC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cn1 ZINC000096296370 560060185 /nfs/dbraw/zinc/06/01/85/560060185.db2.gz VTXLENFDEQCXBD-KRWDZBQOSA-N 0 3 384.867 3.296 40 0 biogenic,in-vitro GGABHN CC(=O)Nc1ccc(CNC[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)cc1 ZINC000096296376 560060243 /nfs/dbraw/zinc/06/02/43/560060243.db2.gz YJNSKGBMCXYUBD-FQEVSTJZSA-N 0 3 394.450 3.336 40 0 biogenic,in-vitro GGABHN Fc1ccc(-c2cnc3n2C[C@H](CNCc2ccc4c(c2)OCO4)OC3)cc1 ZINC000096296373 560060281 /nfs/dbraw/zinc/06/02/81/560060281.db2.gz WQHLDYUYNVAFTP-KRWDZBQOSA-N 0 3 381.407 3.107 40 0 biogenic,in-vitro GGABHN Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccc(Br)cc2)cc1 ZINC000006786829 564227042 /nfs/dbraw/zinc/22/70/42/564227042.db2.gz PWIKNVYCNGNIMM-CQSZACIVSA-N 0 3 397.338 3.387 40 0 GGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000010544207 564258806 /nfs/dbraw/zinc/25/88/06/564258806.db2.gz ZMSZIRISKUOOBT-HNNXBMFYSA-N 0 3 389.359 3.382 40 0 GGABHN CCCCCCNC(=O)C(C)S(=O)(=O)Cc1cccc(Br)c1 ZINC000032925276 564407510 /nfs/dbraw/zinc/40/75/10/564407510.db2.gz AIUCCTLJZCNZOC-ZDUSSCGKSA-N 0 3 390.343 3.449 40 0 GGABHN CCN1CCC(NC(=O)[C@@H](Oc2ccccc2Br)C(C)C)CC1 ZINC000045059322 564477832 /nfs/dbraw/zinc/47/78/32/564477832.db2.gz WWVUBKNZKCHBSM-KRWDZBQOSA-N 0 3 383.330 3.453 40 0 GGABHN CN(C)CCOc1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1 ZINC000048355610 564537138 /nfs/dbraw/zinc/53/71/38/564537138.db2.gz NWWAVSAPKKJQND-UHFFFAOYSA-N 0 3 391.309 3.248 40 0 GGABHN CCOC[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218059487 565898529 /nfs/dbraw/zinc/89/85/29/565898529.db2.gz NEPGDTFQTZEUGL-QYZOEREBSA-N 0 3 379.909 3.261 40 0 GGABHN CCOC[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218512364 565899317 /nfs/dbraw/zinc/89/93/17/565899317.db2.gz NTWPVCUPGOGXAS-CEXWTWQISA-N 0 3 379.909 3.261 40 0 GGABHN COC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218490373 565899639 /nfs/dbraw/zinc/89/96/39/565899639.db2.gz WEWGCEMQFKLOKG-GBESFXJTSA-N 0 3 379.909 3.180 40 0 GGABHN COC[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218641141 565900684 /nfs/dbraw/zinc/90/06/84/565900684.db2.gz BOFBDLZDQRTNGN-SQNIBIBYSA-N 0 3 383.872 3.010 40 0 GGABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000252516535 566115369 /nfs/dbraw/zinc/11/53/69/566115369.db2.gz TYUHYATYANXYKY-GUDVDZBRSA-N 0 3 379.909 3.180 40 0 GGABHN CCOC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252515810 566115945 /nfs/dbraw/zinc/11/59/45/566115945.db2.gz NTWPVCUPGOGXAS-IPMKNSEASA-N 0 3 379.909 3.261 40 0 GGABHN CN(C)[C@@H]1CCN(C(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)C1 ZINC000096147655 570214149 /nfs/dbraw/zinc/21/41/49/570214149.db2.gz IORLZIYWQPNLHO-LJQANCHMSA-N 0 3 393.466 3.064 40 0 GGABHN C=C1c2ccccc2C(=O)N1CCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000048325469 570236248 /nfs/dbraw/zinc/23/62/48/570236248.db2.gz GYBDQGPKZWEQRY-JOCHJYFZSA-N 0 3 389.499 3.457 40 0 GGABHN CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@H](O)c1ccccc1 ZINC000585270588 570239290 /nfs/dbraw/zinc/23/92/90/570239290.db2.gz MYJBQNPKKPJLMC-JOCHJYFZSA-N 0 3 382.504 3.243 40 0 GGABHN COc1cccc(OC[C@@H](O)CNCc2cc3c(C)ccc(C)c3[nH]c2=O)c1 ZINC000585285835 570255299 /nfs/dbraw/zinc/25/52/99/570255299.db2.gz UJGSMRTZFNWVPJ-KRWDZBQOSA-N 0 3 382.460 3.095 40 0 GGABHN COc1cc(CN[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc(OC)c1 ZINC000585288431 570259059 /nfs/dbraw/zinc/25/90/59/570259059.db2.gz AADPEFXTSKSBMU-PWRODBHTSA-N 0 3 375.440 3.294 40 0 GGABHN Cc1cccnc1Nc1nc(C2CCN(C(=O)/C=C/CN(C)C)CC2)cs1 ZINC000585291238 570259931 /nfs/dbraw/zinc/25/99/31/570259931.db2.gz ACEGAEFTMRBNFZ-FNORWQNLSA-N 0 3 385.537 3.414 40 0 GGABHN OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)CN1Cc1ccc(OCCF)cc1 ZINC000585291711 570260266 /nfs/dbraw/zinc/26/02/66/570260266.db2.gz BLXPBYMPAVPQIS-VAMGGRTRSA-N 0 3 379.859 3.010 40 0 GGABHN CN(C)C/C=C/C(=O)N1CCC[C@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000585292428 570261987 /nfs/dbraw/zinc/26/19/87/570261987.db2.gz MEDVYTMHJOSHCE-VWGXWWAPSA-N 0 3 379.508 3.119 40 0 GGABHN Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/CN(C)C)C3)ccn2)n1 ZINC000585292859 570262928 /nfs/dbraw/zinc/26/29/28/570262928.db2.gz SWPBPVHVJVSIGA-ZLQZBKBYSA-N 0 3 394.523 3.056 40 0 GGABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000102728919 570291854 /nfs/dbraw/zinc/29/18/54/570291854.db2.gz KCOBPCXTEANSGM-AABGKKOBSA-N 0 3 389.386 3.272 40 0 GGABHN CCOC(=O)c1sc(N2CCNCC2)nc1-c1ccc(C(F)(F)F)cc1 ZINC000021986852 570301154 /nfs/dbraw/zinc/30/11/54/570301154.db2.gz HLGVBKVKFNGPRH-UHFFFAOYSA-N 0 3 385.411 3.415 40 0 GGABHN Cc1ccc(CN2CCOC[C@]3(C[C@@H](CNc4ncccc4F)CO3)C2)s1 ZINC000107795181 570311112 /nfs/dbraw/zinc/31/11/12/570311112.db2.gz SXLKXNLKTONBJP-JXFKEZNVSA-N 0 3 391.512 3.310 40 0 GGABHN COc1ccc(CN(Cc2ccncc2)CC(C)(C)CN2CCN(C)CC2)cc1 ZINC000022913729 570333971 /nfs/dbraw/zinc/33/39/71/570333971.db2.gz FBNCQYGFWDEZMU-UHFFFAOYSA-N 0 3 396.579 3.366 40 0 GGABHN CN1CCN(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)CC1 ZINC000022935142 570338322 /nfs/dbraw/zinc/33/83/22/570338322.db2.gz QFUNUOVXFBFYMT-UHFFFAOYSA-N 0 3 383.561 3.346 40 0 GGABHN COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@H](C)N(C)CC4)c1O)CN(C)CC2 ZINC000003847303 570351810 /nfs/dbraw/zinc/35/18/10/570351810.db2.gz FQTHIRNNFNJMJT-ZDUSSCGKSA-N 0 3 398.503 3.319 40 0 GGABHN COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@@H](C)N(C)CC4)c1O)CN(C)CC2 ZINC000003847302 570351973 /nfs/dbraw/zinc/35/19/73/570351973.db2.gz FQTHIRNNFNJMJT-CYBMUJFWSA-N 0 3 398.503 3.319 40 0 GGABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000004183056 570361518 /nfs/dbraw/zinc/36/15/18/570361518.db2.gz MLMNIIWAGRXMHP-ZCNNSNEGSA-N 0 3 390.395 3.339 40 0 GGABHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C1CC1 ZINC000223258671 570453647 /nfs/dbraw/zinc/45/36/47/570453647.db2.gz KHEPSSFXZYPMLB-WOJBJXKFSA-N 0 3 383.565 3.369 40 0 GGABHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C1CC1 ZINC000223258862 570453756 /nfs/dbraw/zinc/45/37/56/570453756.db2.gz KHEPSSFXZYPMLB-PMACEKPBSA-N 0 3 383.565 3.369 40 0 GGABHN COC[C@H](C)NC(=O)c1c(C)n([C@@H]2CCCN(C(C)C)C2)nc1C(F)(F)F ZINC000036704592 570456113 /nfs/dbraw/zinc/45/61/13/570456113.db2.gz LNZPAJRPFVUUKF-GXTWGEPZSA-N 0 3 390.450 3.020 40 0 GGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 ZINC000223289580 570456240 /nfs/dbraw/zinc/45/62/40/570456240.db2.gz BOEDWMONGDOUQC-NHCUHLMSSA-N 0 3 391.544 3.406 40 0 GGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 ZINC000223289425 570456299 /nfs/dbraw/zinc/45/62/99/570456299.db2.gz BOEDWMONGDOUQC-SFTDATJTSA-N 0 3 391.544 3.406 40 0 GGABHN COc1ccc(CC(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000026964385 570459623 /nfs/dbraw/zinc/45/96/23/570459623.db2.gz LWGJBKUDJQNOGM-UHFFFAOYSA-N 0 3 395.547 3.265 40 0 GGABHN O=C1C[C@@H]2COc3ccc(OCCN4CCCC4)cc3C2=NN1c1ccccc1 ZINC000006575378 570483796 /nfs/dbraw/zinc/48/37/96/570483796.db2.gz DMPYBIQNHYDFHI-QGZVFWFLSA-N 0 3 391.471 3.311 40 0 GGABHN Cc1c(C)n(C[C@@H](O)CN(C)Cc2ccc(OCCO)cc2)c2ccccc12 ZINC000257287322 570488621 /nfs/dbraw/zinc/48/86/21/570488621.db2.gz PPLUPUXDPZKAPG-FQEVSTJZSA-N 0 3 382.504 3.122 40 0 GGABHN COc1cccc(CNCCCSc2nnnn2C)c1OCc1ccccc1 ZINC000007541440 570507967 /nfs/dbraw/zinc/50/79/67/570507967.db2.gz SWWXXISCBFKKOK-UHFFFAOYSA-N 0 3 399.520 3.070 40 0 GGABHN Cc1cccc(CN2CCC(C(=O)NC[C@H]3COc4ccccc4O3)CC2)c1 ZINC000225269284 570560659 /nfs/dbraw/zinc/56/06/59/570560659.db2.gz RCCODRYMTSTNRO-FQEVSTJZSA-N 0 3 380.488 3.163 40 0 GGABHN Cc1ccc(CN2CCC(C(=O)NC[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000225269374 570561316 /nfs/dbraw/zinc/56/13/16/570561316.db2.gz HUJTYGBSPBQEPY-FQEVSTJZSA-N 0 3 380.488 3.163 40 0 GGABHN Cc1nccn1Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000225298357 570562877 /nfs/dbraw/zinc/56/28/77/570562877.db2.gz JHQFYFKMLAQWNN-UHFFFAOYSA-N 0 3 389.503 3.244 40 0 GGABHN C[C@@H]1Cc2cc([C@H](O)CN3CCC4(CC3)C[C@H](O)c3ccccc3O4)ccc2O1 ZINC000036743692 570563309 /nfs/dbraw/zinc/56/33/09/570563309.db2.gz OEMDTLAFIUTIED-TYCQWZJGSA-N 0 3 395.499 3.394 40 0 GGABHN C[C@@H]1Cc2cc([C@@H](O)CN3CCC4(CC3)C[C@H](O)c3ccccc3O4)ccc2O1 ZINC000036743696 570563640 /nfs/dbraw/zinc/56/36/40/570563640.db2.gz OEMDTLAFIUTIED-CZAAIQMYSA-N 0 3 395.499 3.394 40 0 GGABHN Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)ccc1F ZINC000225609402 570593771 /nfs/dbraw/zinc/59/37/71/570593771.db2.gz DVLIAPNRMBLTJV-UHFFFAOYSA-N 0 3 378.469 3.408 40 0 GGABHN COc1cccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)c1 ZINC000039964108 570594519 /nfs/dbraw/zinc/59/45/19/570594519.db2.gz ZATLVPJFASHHOJ-GOSISDBHSA-N 0 3 376.416 3.124 40 0 GGABHN CC(=O)c1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 ZINC000039964103 570594619 /nfs/dbraw/zinc/59/46/19/570594619.db2.gz VKPYLXXOBMIXLQ-IBGZPJMESA-N 0 3 388.427 3.318 40 0 GGABHN CCc1ccc(NC(=O)CC2C(=O)N(CCOC)c3nc4ccccc4n32)cc1 ZINC000039963954 570594670 /nfs/dbraw/zinc/59/46/70/570594670.db2.gz JUOIJZMPPCIPAM-LJQANCHMSA-N 0 3 392.459 3.162 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1CN(C(=O)OCc1ccccc1)C(C)C ZINC000079413430 570597942 /nfs/dbraw/zinc/59/79/42/570597942.db2.gz JRHMFDKPDFGITE-UXHICEINSA-N 0 3 389.540 3.398 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H](N(C(=O)OCc2ccccc2)C(C)C)C1 ZINC000079413418 570597971 /nfs/dbraw/zinc/59/79/71/570597971.db2.gz BOFIHMGPFQAFSH-MOPGFXCFSA-N 0 3 375.513 3.008 40 0 GGABHN CCN(C(=O)[C@@H](N)C(C)C)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079393327 570598070 /nfs/dbraw/zinc/59/80/70/570598070.db2.gz POHDTHQSOOFQGB-QRVBRYPASA-N 0 3 375.513 3.056 40 0 GGABHN CCN(C(=O)[C@@H](N)C(C)C)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079393324 570598109 /nfs/dbraw/zinc/59/81/09/570598109.db2.gz PYEVWJSAAWRELA-ACBHZAAOSA-N 0 3 375.513 3.056 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCC(N(C(=O)OCc2ccccc2)C(C)C)CC1 ZINC000079413424 570598198 /nfs/dbraw/zinc/59/81/98/570598198.db2.gz GBBPEJLUCIVHRH-IBGZPJMESA-N 0 3 375.513 3.008 40 0 GGABHN CCOc1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c(C)cc1OC ZINC000012117014 570611356 /nfs/dbraw/zinc/61/13/56/570611356.db2.gz NYHZTDDGJWYSDJ-VSOVRNOCSA-N 0 3 385.508 3.150 40 0 GGABHN COc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)c(OC)c1 ZINC000225742531 570612023 /nfs/dbraw/zinc/61/20/23/570612023.db2.gz PROKEYBEFDMYFA-UHFFFAOYSA-N 0 3 385.533 3.439 40 0 GGABHN Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000012143397 570615417 /nfs/dbraw/zinc/61/54/17/570615417.db2.gz FQCOFQGKUFZYJG-UWJYYQICSA-N 0 3 384.499 3.119 40 0 GGABHN O=C1CCN(Cc2ccccc2)CCN1CCc1noc(-c2ccccc2)n1 ZINC000012146601 570616788 /nfs/dbraw/zinc/61/67/88/570616788.db2.gz QIZCZPJTDCVRSJ-UHFFFAOYSA-N 0 3 376.460 3.014 40 0 GGABHN COc1ccc(CN2C[C@@H](CN3CCOCC3)c3ccccc32)cc1CN(C)C ZINC000012148205 570617629 /nfs/dbraw/zinc/61/76/29/570617629.db2.gz HDHJVHUEFMCDIA-OAQYLSRUSA-N 0 3 395.547 3.193 40 0 GGABHN Cc1cc(C)c2cc(CN(CCN(C)C)C(=S)NCC(C)C)c(=O)[nH]c2c1 ZINC000004133549 570618142 /nfs/dbraw/zinc/61/81/42/570618142.db2.gz HHSRCDBBJHRXCR-UHFFFAOYSA-N 0 3 388.581 3.039 40 0 GGABHN CCCCNC(=S)N(CCN(C)C)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000004133501 570618155 /nfs/dbraw/zinc/61/81/55/570618155.db2.gz GNWXIKHAQBCODQ-UHFFFAOYSA-N 0 3 388.581 3.183 40 0 GGABHN COc1ccc(Nc2nc(CC(=O)N(C)CCN3CCCCC3)cs2)cc1 ZINC000012222413 570628089 /nfs/dbraw/zinc/62/80/89/570628089.db2.gz HXBUQQPPCXARMC-UHFFFAOYSA-N 0 3 388.537 3.382 40 0 GGABHN COc1ccc(CN2CCC(c3noc([C@@H]4CCC(=O)N4)n3)CC2)c(C)c1C ZINC000012233743 570629588 /nfs/dbraw/zinc/62/95/88/570629588.db2.gz PDUOBVSGLJBKGD-KRWDZBQOSA-N 0 3 384.480 3.026 40 0 GGABHN O=C(Nc1ccc([C@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1)C1CC1 ZINC000012241616 570630582 /nfs/dbraw/zinc/63/05/82/570630582.db2.gz VFDDXSXZNAMSOM-OAQYLSRUSA-N 0 3 398.478 3.191 40 0 GGABHN CCOc1ccccc1CN1CCC[C@H](Cn2nnc(-c3cccnc3)n2)C1 ZINC000012276021 570631877 /nfs/dbraw/zinc/63/18/77/570631877.db2.gz REKAOKKGXQICLX-KRWDZBQOSA-N 0 3 378.480 3.046 40 0 GGABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(C)cc3)CC1)O2 ZINC000012293434 570633666 /nfs/dbraw/zinc/63/36/66/570633666.db2.gz KZCYXXTYFPBYDS-LEWJYISDSA-N 0 3 383.488 3.388 40 0 GGABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(C)cc3)CC1)C[C@@H]2O ZINC000012293425 570633963 /nfs/dbraw/zinc/63/39/63/570633963.db2.gz VJXGSWZTGIXGHO-SFTDATJTSA-N 0 3 383.488 3.388 40 0 GGABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)c1 ZINC000012330066 570644017 /nfs/dbraw/zinc/64/40/17/570644017.db2.gz VZUSQEFKVYPNET-UXHICEINSA-N 0 3 387.451 3.218 40 0 GGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012329942 570644102 /nfs/dbraw/zinc/64/41/02/570644102.db2.gz IJAFPRBYYFLANK-RTWAWAEBSA-N 0 3 383.488 3.388 40 0 GGABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(OC)ccc2O3)c1 ZINC000012330029 570644113 /nfs/dbraw/zinc/64/41/13/570644113.db2.gz GREGFKYQULXQDU-SFTDATJTSA-N 0 3 399.487 3.088 40 0 GGABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc(F)cc1 ZINC000012329626 570644136 /nfs/dbraw/zinc/64/41/36/570644136.db2.gz ALFUZBQPPCEHQL-RTBURBONSA-N 0 3 375.415 3.349 40 0 GGABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)c1 ZINC000012330086 570644150 /nfs/dbraw/zinc/64/41/50/570644150.db2.gz BRRYITHVQASFDJ-NHCUHLMSSA-N 0 3 383.488 3.388 40 0 GGABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)c1 ZINC000012330089 570644177 /nfs/dbraw/zinc/64/41/77/570644177.db2.gz BRRYITHVQASFDJ-SFTDATJTSA-N 0 3 383.488 3.388 40 0 GGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)cc1 ZINC000012329884 570644190 /nfs/dbraw/zinc/64/41/90/570644190.db2.gz KMSYVDJMHZUJBR-SFTDATJTSA-N 0 3 399.487 3.088 40 0 GGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000012329927 570644217 /nfs/dbraw/zinc/64/42/17/570644217.db2.gz FHRIOUBPRHPYLS-UXHICEINSA-N 0 3 387.451 3.218 40 0 GGABHN Cc1sc2ncn(CC3(O)CCN(Cc4ccccc4)CC3)c(=O)c2c1C ZINC000012337477 570644536 /nfs/dbraw/zinc/64/45/36/570644536.db2.gz IIDCWFKMDOOIGV-UHFFFAOYSA-N 0 3 383.517 3.102 40 0 GGABHN S=C(NCCCN1CCc2ccccc2C1)Nc1ccc2c(c1)OCCO2 ZINC000046103125 570650841 /nfs/dbraw/zinc/65/08/41/570650841.db2.gz ALICYTYIRNACKM-UHFFFAOYSA-N 0 3 383.517 3.193 40 0 GGABHN COc1ccc(CC(=O)N2Cc3cc(C)ccc3OC[C@@H]2CN(C)C)cc1C ZINC000012406631 570654053 /nfs/dbraw/zinc/65/40/53/570654053.db2.gz NWAULTKNLYLNOT-FQEVSTJZSA-N 0 3 382.504 3.206 40 0 GGABHN COc1ccc(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 ZINC000012407919 570654831 /nfs/dbraw/zinc/65/48/31/570654831.db2.gz XTJAESNLBXJTHO-DLBZAZTESA-N 0 3 395.429 3.487 40 0 GGABHN COc1cccc(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1 ZINC000012407917 570654957 /nfs/dbraw/zinc/65/49/57/570654957.db2.gz CBWKXHJQYCVUMH-DLBZAZTESA-N 0 3 395.429 3.487 40 0 GGABHN Cc1ccccc1NC(=O)NC1(C(=O)N2CCN3CCC[C@@H]3C2)CCCCC1 ZINC000004981879 570655863 /nfs/dbraw/zinc/65/58/63/570655863.db2.gz LPYZIZBAZXMNHW-GOSISDBHSA-N 0 3 384.524 3.126 40 0 GGABHN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNC[C@@H]3CCCO3)cc12 ZINC000013564672 570656879 /nfs/dbraw/zinc/65/68/79/570656879.db2.gz VVWBFQPRPWKRKE-KRWDZBQOSA-N 0 3 380.492 3.280 40 0 GGABHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000005022204 570657619 /nfs/dbraw/zinc/65/76/19/570657619.db2.gz QETXBNQYNZTDNM-VYBOSXCSSA-N 0 3 396.487 3.054 40 0 GGABHN CC(C)CN(CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)CC(C)C ZINC000060356089 570678120 /nfs/dbraw/zinc/67/81/20/570678120.db2.gz VYKOIKPRULJUBE-UHFFFAOYSA-N 0 3 391.581 3.428 40 0 GGABHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[C@@H]1c1cnn(C)c1 ZINC000060365797 570702865 /nfs/dbraw/zinc/70/28/65/570702865.db2.gz ZEPLTQRWNRXKAI-MSOLQXFVSA-N 0 3 394.441 3.133 40 0 GGABHN Cc1nc2cc([C@H]3CC[N@H+](CC(C)(C)CN4CCCCC4)C3)[n-]n2c(=O)c1C ZINC000012745647 570708040 /nfs/dbraw/zinc/70/80/40/570708040.db2.gz ODJHUILWONQHSY-SFHVURJKSA-N 0 3 385.556 3.353 40 0 GGABHN Cc1nc2cc([C@H]3CC[N@@H+](CC(C)(C)CN4CCCCC4)C3)[n-]n2c(=O)c1C ZINC000012745647 570708041 /nfs/dbraw/zinc/70/80/41/570708041.db2.gz ODJHUILWONQHSY-SFHVURJKSA-N 0 3 385.556 3.353 40 0 GGABHN CN(C)C(=O)COCC[C@@H]1CCOC12CCN(Cc1cccc(Cl)c1)CC2 ZINC000247959635 570717840 /nfs/dbraw/zinc/71/78/40/570717840.db2.gz DWGSGZMFRYJJJM-GOSISDBHSA-N 0 3 394.943 3.206 40 0 GGABHN CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000242620213 570719333 /nfs/dbraw/zinc/71/93/33/570719333.db2.gz PYEVWJSAAWRELA-FHWLQOOXSA-N 0 3 375.513 3.056 40 0 GGABHN CN(C)c1ncc2c(n1)[C@]1(CCN(Cc3ccc(-c4ccccc4)o3)C1)COC2 ZINC000248072306 570720184 /nfs/dbraw/zinc/72/01/84/570720184.db2.gz BBOQXERKYIDVHX-QHCPKHFHSA-N 0 3 390.487 3.477 40 0 GGABHN COc1cc(CCC(=O)NCc2ccccc2CN(C)C)cc(OC)c1OC ZINC000006992487 570730995 /nfs/dbraw/zinc/73/09/95/570730995.db2.gz WUUUBEGESOAEKF-UHFFFAOYSA-N 0 3 386.492 3.023 40 0 GGABHN CN1CCN(CCCNC(=O)CCc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000033135566 570822090 /nfs/dbraw/zinc/82/20/90/570822090.db2.gz FKMFDFXWBNKASU-JOCHJYFZSA-N 0 3 383.511 3.253 40 0 GGABHN c1cncc(CN(CCCN2CCOCC2)Cc2ccc3ncccc3c2)c1 ZINC000013569041 570850717 /nfs/dbraw/zinc/85/07/17/570850717.db2.gz SYNZCSREVSITGZ-UHFFFAOYSA-N 0 3 376.504 3.354 40 0 GGABHN CNc1cc(CN(C)Cc2cc3c(cc2OC)CCCC3)nc([C@@H]2CCCN2)n1 ZINC000019759959 570887777 /nfs/dbraw/zinc/88/77/77/570887777.db2.gz CVHCLHKZOKMWND-FQEVSTJZSA-N 0 3 395.551 3.462 40 0 GGABHN CCN1CCC[C@@H]1CN(Cc1ccnn1[C@H]1CCCCO1)Cc1cccnc1 ZINC000257219712 570890098 /nfs/dbraw/zinc/89/00/98/570890098.db2.gz DHVVKSGVYXWJFQ-IFMALSPDSA-N 0 3 383.540 3.464 40 0 GGABHN CN(C)Cc1cc(C2CCN(C(=O)CCOc3ccc(Cl)cc3)CC2)n[nH]1 ZINC000019708932 570898592 /nfs/dbraw/zinc/89/85/92/570898592.db2.gz FPVIHZRTYQDZMC-UHFFFAOYSA-N 0 3 390.915 3.300 40 0 GGABHN CCN1CCC[C@@H]1CN(Cc1ccnn1[C@H]1CCCCO1)Cc1ccccn1 ZINC000257283761 570902694 /nfs/dbraw/zinc/90/26/94/570902694.db2.gz OZTWTTDLLHEPNA-IFMALSPDSA-N 0 3 383.540 3.464 40 0 GGABHN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)N1CCC[C@H]1CCO ZINC000575106486 570924649 /nfs/dbraw/zinc/92/46/49/570924649.db2.gz WMUJZGQKCNJZON-RJGXRXQPSA-N 0 3 393.531 3.211 40 0 GGABHN Cc1ncc(CN2CCC[C@]3(CCC(=O)N3Cc3cncs3)CC2)s1 ZINC000585100701 570925325 /nfs/dbraw/zinc/92/53/25/570925325.db2.gz UBJDMGWKBVOHAD-SFHVURJKSA-N 0 3 376.551 3.455 40 0 GGABHN CCOC[C@@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218581250 570929513 /nfs/dbraw/zinc/92/95/13/570929513.db2.gz IKZXVLAROAUQFK-UFYCRDLUSA-N 0 3 377.481 3.055 40 0 GGABHN CC(C)N(C)CC(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000060161973 570934337 /nfs/dbraw/zinc/93/43/37/570934337.db2.gz RUCGBJNJOYXTBO-KRWDZBQOSA-N 0 3 381.476 3.041 40 0 GGABHN O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@H]2[C@@H](CN2CC2CCCCC2)C1 ZINC000585108004 570939517 /nfs/dbraw/zinc/93/95/17/570939517.db2.gz SXTPYADENXMVCK-KXBFYZLASA-N 0 3 384.492 3.240 40 0 GGABHN CC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(C2CCCC2)CC1 ZINC000020139755 570942043 /nfs/dbraw/zinc/94/20/43/570942043.db2.gz ZICBVKSKPAVMFM-LJQANCHMSA-N 0 3 386.519 3.217 40 0 GGABHN O=C(Nc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298362 1398821319 /nfs/dbraw/zinc/82/13/19/1398821319.db2.gz BJNYRTYNCDMDLK-NRSPTQNISA-N 0 3 387.487 3.294 40 0 biogenic,in-vitro GGABHN C[C@@H](CC[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1)c1ccccc1 ZINC000012365924 1399040093 /nfs/dbraw/zinc/04/00/93/1399040093.db2.gz IRUCFYGRANCSFQ-PKOBYXMFSA-N 0 3 382.508 3.002 40 0 GGABHN C[C@@H](CC[N@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1)c1ccccc1 ZINC000012365924 1399040097 /nfs/dbraw/zinc/04/00/97/1399040097.db2.gz IRUCFYGRANCSFQ-PKOBYXMFSA-N 0 3 382.508 3.002 40 0 GGABHN C[C@@H]1Cc2cc([C@@H](O)CN3CCC4(CC3)C[C@@H](O)c3ccccc3O4)ccc2O1 ZINC000019498019 1399330910 /nfs/dbraw/zinc/33/09/10/1399330910.db2.gz OEMDTLAFIUTIED-HBGVWJBISA-N 0 3 395.499 3.394 40 0 GGABHN CCN(CC)C(=O)CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1cccc(C)c1 ZINC000019713359 1399336662 /nfs/dbraw/zinc/33/66/62/1399336662.db2.gz FAUOKPBILKOJKH-RTWAWAEBSA-N 0 3 385.552 3.209 40 0 GGABHN CCN1C(=O)CCC[C@@H]2[C@H]1CCN2Cc1cnc(-c2ccc(OC)cc2)nc1 ZINC000019713134 1399336680 /nfs/dbraw/zinc/33/66/80/1399336680.db2.gz XXJLINKSDPTAOL-WOJBJXKFSA-N 0 3 380.492 3.128 40 0 GGABHN Cc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C3CCCC3)CC2)cc1 ZINC000020139311 1399342787 /nfs/dbraw/zinc/34/27/87/1399342787.db2.gz XIBLWRRYXMYQDA-FQEVSTJZSA-N 0 3 382.556 3.386 40 0 GGABHN O=C(Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)OCO2 ZINC000022348474 1399455677 /nfs/dbraw/zinc/45/56/77/1399455677.db2.gz TWHZNZIUTNAYQF-IHWFROFDSA-N 0 3 378.472 3.270 40 0 GGABHN CC[C@@H](CNC(=O)c1cc2ccccc2oc1=O)N1CCc2ccccc2C1 ZINC000029909558 1400376184 /nfs/dbraw/zinc/37/61/84/1400376184.db2.gz FBSKPWVPBBQMDY-IBGZPJMESA-N 0 3 376.456 3.360 40 0 GGABHN CCOc1ccc([C@H](N)c2n[nH]c(COc3ccc(OC)cc3)n2)cc1OCC ZINC000095534546 1410315049 /nfs/dbraw/zinc/31/50/49/1410315049.db2.gz HRTMIIGEWFDKGP-FQEVSTJZSA-N 0 3 398.463 3.238 40 0 GGABHN CCOc1ccc([C@@H](N)c2nc(CNc3cccc(OC)c3)n[nH]2)cc1OCC ZINC000095534551 1410315318 /nfs/dbraw/zinc/31/53/18/1410315318.db2.gz WRXWKBHDPVDPKX-HXUWFJFHSA-N 0 3 397.479 3.271 40 0 GGABHN Cc1ccc(C(=O)NCCN2CCCCCC2)c(I)c1 ZINC000225023670 231032873 /nfs/dbraw/zinc/03/28/73/231032873.db2.gz SHJCTNCXDQKJCT-UHFFFAOYSA-N 0 3 386.277 3.205 40 0 GGABHN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000223042792 222624558 /nfs/dbraw/zinc/62/45/58/222624558.db2.gz KCMOFSWHMVXLJK-VQTJNVASSA-N 0 3 393.516 3.276 40 0 GGABHN Clc1ncc(CN2CCO[C@@]3(CCCC[C@H]3NCc3cccnc3)C2)s1 ZINC000306126345 222795605 /nfs/dbraw/zinc/79/56/05/222795605.db2.gz DTCZRHUYOATCAQ-MJGOQNOKSA-N 0 3 392.956 3.495 40 0 GGABHN NC(=O)[C@H](N)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000001635687 212252544 /nfs/dbraw/zinc/25/25/44/212252544.db2.gz WJCWFNVHTTXYSE-HXUWFJFHSA-N 0 3 376.456 3.200 40 0 GGABHN CS(=O)(=O)c1cccc(C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000010281126 212246335 /nfs/dbraw/zinc/24/63/35/212246335.db2.gz XUHSZFJHKKLPOA-UHFFFAOYSA-N 0 3 386.517 3.006 40 0 GGABHN CCCOc1ccc(C(=O)Nc2cc(N)ccc2N2CCN(CC)CC2)cc1 ZINC000226259942 212115249 /nfs/dbraw/zinc/11/52/49/212115249.db2.gz CGFCAOLBHOUUJD-UHFFFAOYSA-N 0 3 382.508 3.452 40 0 GGABHN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O ZINC000409104343 533198473 /nfs/dbraw/zinc/19/84/73/533198473.db2.gz DAUJSZKEWZANFD-RKPNYOAGSA-N 0 3 385.445 3.087 40 0 GGABHN CCOc1cccc(CNCCSc2nnnn2C)c1OCc1ccccc1 ZINC000007539402 221001026 /nfs/dbraw/zinc/00/10/26/221001026.db2.gz MSVYHSOSPUNZAF-UHFFFAOYSA-N 0 3 399.520 3.070 40 0 GGABHN CCOc1c(Cl)cc(Cl)cc1CNCCCSc1nnnn1C ZINC000007541546 221001615 /nfs/dbraw/zinc/00/16/15/221001615.db2.gz ARRHYIDSGIFFOW-UHFFFAOYSA-N 0 3 376.313 3.188 40 0 GGABHN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(C(N)=O)CC2)cc1 ZINC000008212283 221032297 /nfs/dbraw/zinc/03/22/97/221032297.db2.gz WQYKLUDQDBVDTQ-UHFFFAOYSA-N 0 3 390.487 3.245 40 0 GGABHN OCCNCCSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000008428553 221040453 /nfs/dbraw/zinc/04/04/53/221040453.db2.gz IOTJJQKDKZTKGS-UHFFFAOYSA-N 0 3 388.924 3.186 40 0 GGABHN COC[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000008775465 221058986 /nfs/dbraw/zinc/05/89/86/221058986.db2.gz OPUPHQWMPCMFOE-MRXNPFEDSA-N 0 3 379.460 3.435 40 0 GGABHN O=C(CCNC(=O)c1ccccc1)NCc1ccccc1CN1CCCCC1 ZINC000008750959 221055047 /nfs/dbraw/zinc/05/50/47/221055047.db2.gz WOTBRDICCYVOHM-UHFFFAOYSA-N 0 3 379.504 3.109 40 0 GGABHN CCc1ccc2cc(CNc3ccc(N4CCN(C)CC4)cc3)c(=O)[nH]c2c1 ZINC000012088269 221149408 /nfs/dbraw/zinc/14/94/08/221149408.db2.gz OFFBFPZSGHNDHO-UHFFFAOYSA-N 0 3 376.504 3.454 40 0 GGABHN COc1ccc2c(c1)NC1(CCN(Cc3cnn(C)c3C)CC1)c1cccn1-2 ZINC000012117296 221152101 /nfs/dbraw/zinc/15/21/01/221152101.db2.gz IWUWQMQVQUEDLP-UHFFFAOYSA-N 0 3 377.492 3.445 40 0 GGABHN COc1ccc(OC)c(CN2CCC(c3cc(N)n4nc(C)cc4n3)CC2)c1 ZINC000012121526 221154997 /nfs/dbraw/zinc/15/49/97/221154997.db2.gz FQCZVESFSCXMKW-UHFFFAOYSA-N 0 3 381.480 3.017 40 0 GGABHN CCCc1ncc(CN2[C@@H]3CC[C@H]2CC(O)(Cn2ccc4ncccc42)C3)cn1 ZINC000012134408 221157284 /nfs/dbraw/zinc/15/72/84/221157284.db2.gz DLYJOXQKBJXFIZ-LIMIJEPZSA-N 0 3 391.519 3.337 40 0 GGABHN O=C1CCCN1c1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc1 ZINC000012135133 221157551 /nfs/dbraw/zinc/15/75/51/221157551.db2.gz QJBNXIYTKGCGGW-VXMMSVGHSA-N 0 3 391.515 3.328 40 0 GGABHN COCc1ccc(OC)c(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c1 ZINC000012135041 221157949 /nfs/dbraw/zinc/15/79/49/221157949.db2.gz ZNXHEAPNVLPRIZ-TYABSZSSSA-N 0 3 382.504 3.356 40 0 GGABHN CCN1CCC[C@H]1CNC(=O)Cn1ccc2ccnc(-c3cccc(OC)c3)c21 ZINC000012134730 221158099 /nfs/dbraw/zinc/15/80/99/221158099.db2.gz BMTJOWYSINOEIE-IBGZPJMESA-N 0 3 392.503 3.312 40 0 GGABHN Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000012143399 221159158 /nfs/dbraw/zinc/15/91/58/221159158.db2.gz FQCOFQGKUFZYJG-UTKZUKDTSA-N 0 3 384.499 3.119 40 0 GGABHN CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012293663 221175426 /nfs/dbraw/zinc/17/54/26/221175426.db2.gz CSOLKXNDIGKJHY-LEWJYISDSA-N 0 3 383.488 3.469 40 0 GGABHN Cc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012292264 221175680 /nfs/dbraw/zinc/17/56/80/221175680.db2.gz AASNDHQKIZGRDE-FQEVSTJZSA-N 0 3 383.488 3.173 40 0 GGABHN O[C@@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012292237 221176030 /nfs/dbraw/zinc/17/60/30/221176030.db2.gz LASPYWYAVGVVHO-IBGZPJMESA-N 0 3 387.451 3.004 40 0 GGABHN Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc(N4CCCC4=O)cc3)CC2)c1 ZINC000012292134 221176148 /nfs/dbraw/zinc/17/61/48/221176148.db2.gz SBOLGYCQYRQXJC-QFIPXVFZSA-N 0 3 394.515 3.139 40 0 GGABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(C)cc3)CC1)O2 ZINC000012293437 221176431 /nfs/dbraw/zinc/17/64/31/221176431.db2.gz KZCYXXTYFPBYDS-SFTDATJTSA-N 0 3 383.488 3.388 40 0 GGABHN CC(=O)N1CCCc2cc([C@H](O)CN3CCC(c4ccncc4)CC3)ccc21 ZINC000012326527 221182121 /nfs/dbraw/zinc/18/21/21/221182121.db2.gz XJVULGJMASPMOW-HSZRJFAPSA-N 0 3 379.504 3.294 40 0 GGABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)CCO2 ZINC000012329317 221182671 /nfs/dbraw/zinc/18/26/71/221182671.db2.gz QEDMVXOTLSBWFV-WOJBJXKFSA-N 0 3 399.462 3.145 40 0 GGABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1C ZINC000012327650 221183115 /nfs/dbraw/zinc/18/31/15/221183115.db2.gz NSKZZFRCQOVFRB-NRFANRHFSA-N 0 3 386.467 3.110 40 0 GGABHN CCCN1C[C@H](NC(=O)Cc2ccccc2OC)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364768 221184734 /nfs/dbraw/zinc/18/47/34/221184734.db2.gz LULIWARRWHSWBQ-RTWAWAEBSA-N 0 3 382.504 3.241 40 0 GGABHN COc1ccccc1/C=C\C[N@@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000012365897 221185026 /nfs/dbraw/zinc/18/50/26/221185026.db2.gz IQAJQLUUSZNIBX-POZKEBTKSA-N 0 3 380.492 3.294 40 0 GGABHN COc1ccccc1/C=C\C[N@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000012365897 221185030 /nfs/dbraw/zinc/18/50/30/221185030.db2.gz IQAJQLUUSZNIBX-POZKEBTKSA-N 0 3 380.492 3.294 40 0 GGABHN CCCN1C[C@H](NC(=O)c2ccc3c(c2)OCCO3)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364763 221185208 /nfs/dbraw/zinc/18/52/08/221185208.db2.gz OLOKCHUNDFGEJS-UXHICEINSA-N 0 3 396.487 3.074 40 0 GGABHN CC(C)(CN1CC[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1)C[NH+]1CCCCC1 ZINC000012365900 221185289 /nfs/dbraw/zinc/18/52/89/221185289.db2.gz WMMKJPVPDLJFNN-GOSISDBHSA-N 0 3 387.572 3.084 40 0 GGABHN Cc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1 ZINC000012186596 221164287 /nfs/dbraw/zinc/16/42/87/221164287.db2.gz HFMGJTQXEKJGRL-UHFFFAOYSA-N 0 3 395.528 3.307 40 0 GGABHN COC(=O)Cn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21 ZINC000012240431 221171462 /nfs/dbraw/zinc/17/14/62/221171462.db2.gz JMPWKMLZXZXXMU-UHFFFAOYSA-N 0 3 396.462 3.437 40 0 GGABHN COc1ccccc1CN1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 ZINC000012407915 221190305 /nfs/dbraw/zinc/19/03/05/221190305.db2.gz CYDQGRXHRZMGDE-DOTOQJQBSA-N 0 3 395.429 3.487 40 0 GGABHN CCN(CC)CCn1c2ccccc2[nH]c1=NC(=O)CCc1ccc(OC)cc1 ZINC000014651242 221314801 /nfs/dbraw/zinc/31/48/01/221314801.db2.gz NQZHXGQPIAODFO-UHFFFAOYSA-N 0 3 394.519 3.380 40 0 GGABHN CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(O)c1 ZINC000016753658 221371344 /nfs/dbraw/zinc/37/13/44/221371344.db2.gz HDCJUFPOUSPKKZ-LJQANCHMSA-N 0 3 396.418 3.135 40 0 GGABHN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N1CCN2CCC[C@H]2C1 ZINC000017078007 221378012 /nfs/dbraw/zinc/37/80/12/221378012.db2.gz FICASSUTUHXFLJ-KRWDZBQOSA-N 0 3 381.524 3.337 40 0 GGABHN COc1ccc(C)cc1CN1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019133417 221399226 /nfs/dbraw/zinc/39/92/26/221399226.db2.gz VEMZEDDWRGNQDD-BHYGNILZSA-N 0 3 391.466 3.498 40 0 GGABHN CCN(CC)[C@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000017795068 221385491 /nfs/dbraw/zinc/38/54/91/221385491.db2.gz GAUSXPAIZHXISB-HXUWFJFHSA-N 0 3 392.503 3.055 40 0 GGABHN CC(=O)Nc1nc(C(=O)Nc2ccccc2OCCN2CCCCC2)cs1 ZINC000019022958 221395535 /nfs/dbraw/zinc/39/55/35/221395535.db2.gz HQZKDOZGCJYVCK-UHFFFAOYSA-N 0 3 388.493 3.219 40 0 GGABHN COCCCNCc1cc2c(C(C)(C)C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000019083554 221396373 /nfs/dbraw/zinc/39/63/73/221396373.db2.gz VIDOEPMPBSRODM-UHFFFAOYSA-N 0 3 386.471 3.277 40 0 GGABHN COc1ccc(OC)c(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)c1 ZINC000019129215 221397387 /nfs/dbraw/zinc/39/73/87/221397387.db2.gz IVSCFHWNFKRHSE-HNNXBMFYSA-N 0 3 381.480 3.017 40 0 GGABHN COc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc1OC ZINC000019129243 221398000 /nfs/dbraw/zinc/39/80/00/221398000.db2.gz DKTJJZOPFAJKBB-MRXNPFEDSA-N 0 3 381.480 3.017 40 0 GGABHN Cc1cc2ccccc2n1CCC(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019126839 221398266 /nfs/dbraw/zinc/39/82/66/221398266.db2.gz WGDSSTJYXXMWID-HXUWFJFHSA-N 0 3 389.503 3.139 40 0 GGABHN COc1ccc2nc(CN3C[C@H]4CCC[C@@H](C3)C4(O)c3nccn3C)ccc2c1 ZINC000019291393 221404964 /nfs/dbraw/zinc/40/49/64/221404964.db2.gz AMFUDAMFCBVORG-NHJWOMDBSA-N 0 3 392.503 3.097 40 0 GGABHN CN1CCN(c2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cn2)CC1 ZINC000014521078 136201463 /nfs/dbraw/zinc/20/14/63/136201463.db2.gz NOXSVWSCRAACKK-UHFFFAOYSA-N 0 3 393.535 3.072 40 0 GGABHN O[C@@H](CNCc1c[nH]nc1-c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000059369067 222056779 /nfs/dbraw/zinc/05/67/79/222056779.db2.gz MOECJKBXRMGOQF-KRWDZBQOSA-N 0 3 385.851 3.325 40 0 GGABHN c1[nH]c2ccccc2c1CNC1(Cc2cc(CN3CCCCC3)on2)COC1 ZINC000067898427 222166625 /nfs/dbraw/zinc/16/66/25/222166625.db2.gz XROWAGPHISHNFH-UHFFFAOYSA-N 0 3 380.492 3.243 40 0 biogenic,in-vitro GGABHN C=Cn1cc(CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)c(C)n1 ZINC000072342669 222232091 /nfs/dbraw/zinc/23/20/91/222232091.db2.gz LBYWAHYFHGZCPF-UHFFFAOYSA-N 0 3 376.508 3.162 40 0 GGABHN CCn1ncc(CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)c1C ZINC000072342666 222232197 /nfs/dbraw/zinc/23/21/97/222232197.db2.gz SBNBSTDDKYDWAO-UHFFFAOYSA-N 0 3 378.524 3.082 40 0 GGABHN COc1cccc(Cc2cccc(C3CCN(C(=O)CN4CCCC4)CC3)n2)c1 ZINC000072349733 222235982 /nfs/dbraw/zinc/23/59/82/222235982.db2.gz PHGNVRXIBXJYJU-UHFFFAOYSA-N 0 3 393.531 3.483 40 0 GGABHN CN1CCN(C(=O)CCc2ccc(F)cc2)C[C@@H](COCc2ccccc2)C1 ZINC000072354540 222237362 /nfs/dbraw/zinc/23/73/62/222237362.db2.gz QUJILQZCUCUAKV-NRFANRHFSA-N 0 3 384.495 3.365 40 0 GGABHN CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cnn(C)c3)C2)c1 ZINC000072359063 222239480 /nfs/dbraw/zinc/23/94/80/222239480.db2.gz DYTGFQGQCVBJDV-LJQANCHMSA-N 0 3 390.491 3.215 40 0 GGABHN CN1CCC(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4F)n3)C2)CC1 ZINC000072363245 222241248 /nfs/dbraw/zinc/24/12/48/222241248.db2.gz XSXQSASLUBZHTD-QGZVFWFLSA-N 0 3 398.482 3.456 40 0 GGABHN Cn1nccc1CN1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371585 222242861 /nfs/dbraw/zinc/24/28/61/222242861.db2.gz UNQAHLCDCJGBQP-HNNXBMFYSA-N 0 3 385.899 3.408 40 0 GGABHN Cn1nccc1CN1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000072371585 222242865 /nfs/dbraw/zinc/24/28/65/222242865.db2.gz UNQAHLCDCJGBQP-HNNXBMFYSA-N 0 3 385.899 3.408 40 0 GGABHN Cn1nccc1CN1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371589 222243173 /nfs/dbraw/zinc/24/31/73/222243173.db2.gz JYBZRZARBHYBSY-HNNXBMFYSA-N 0 3 385.899 3.408 40 0 GGABHN Cn1nccc1CN1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371589 222243175 /nfs/dbraw/zinc/24/31/75/222243175.db2.gz JYBZRZARBHYBSY-HNNXBMFYSA-N 0 3 385.899 3.408 40 0 GGABHN O=C(c1cc([C@H]2CCCCN2CCCc2ccccc2)n[nH]1)N1CCOCC1 ZINC000072380626 222243917 /nfs/dbraw/zinc/24/39/17/222243917.db2.gz WIKMIRUDKXZDNI-OAQYLSRUSA-N 0 3 382.508 3.042 40 0 GGABHN COc1ccc(CN2CCC[C@H](c3ccnc(Nc4cncnc4)n3)C2)cc1 ZINC000072377452 222244072 /nfs/dbraw/zinc/24/40/72/222244072.db2.gz IODWFVGCXCPVFO-KRWDZBQOSA-N 0 3 376.464 3.398 40 0 GGABHN COc1cc(CN2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc(OC)c1OC ZINC000072389889 222246185 /nfs/dbraw/zinc/24/61/85/222246185.db2.gz LRUMIPZVIZQWJL-INIZCTEOSA-N 0 3 396.447 3.147 40 0 GGABHN COc1cc(CN2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc(OC)c1OC ZINC000072389890 222246230 /nfs/dbraw/zinc/24/62/30/222246230.db2.gz LRUMIPZVIZQWJL-MRXNPFEDSA-N 0 3 396.447 3.147 40 0 GGABHN CC(=O)N1CCC(N2CC[C@H](c3nc(C)cc(Oc4ccccc4)n3)C2)CC1 ZINC000072384366 222246271 /nfs/dbraw/zinc/24/62/71/222246271.db2.gz XUBUJPRHWSSZEP-SFHVURJKSA-N 0 3 380.492 3.378 40 0 GGABHN CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C[C@H](C)c2ccccc2)C3)C1 ZINC000072390912 222247491 /nfs/dbraw/zinc/24/74/91/222247491.db2.gz FHQIMSAPJSSYKM-FXAWDEMLSA-N 0 3 378.520 3.364 40 0 GGABHN CSc1ncc(CN2Cc3cc(C)ccc3OC3(CCN(C)CC3)C2)cn1 ZINC000072394191 222250787 /nfs/dbraw/zinc/25/07/87/222250787.db2.gz CODJQBZECNWUMA-UHFFFAOYSA-N 0 3 384.549 3.366 40 0 GGABHN COc1ccc(C[C@H](C)N2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)cc1OC ZINC000072395786 222251419 /nfs/dbraw/zinc/25/14/19/222251419.db2.gz BWJYBAXSNOVREG-BXKMTCNYSA-N 0 3 394.515 3.456 40 0 GGABHN CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2CN2CCN(C(C)C)CC2)C1 ZINC000072395286 222252101 /nfs/dbraw/zinc/25/21/01/222252101.db2.gz ZRJHCZQEOVJNDP-SFHVURJKSA-N 0 3 397.567 3.205 40 0 GGABHN CC(C(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000079038788 222302005 /nfs/dbraw/zinc/30/20/05/222302005.db2.gz YTMRVDKGPUZVLI-FZKQIMNGSA-N 0 3 377.531 3.266 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCC(CN(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000079413537 222304475 /nfs/dbraw/zinc/30/44/75/222304475.db2.gz PSPQRISODUHGMC-FQEVSTJZSA-N 0 3 387.524 3.010 40 0 GGABHN CC(C)[C@H](N)C(=O)N1CCC[C@H]1CN(C(=O)OCc1ccccc1)C(C)C ZINC000079413396 222305808 /nfs/dbraw/zinc/30/58/08/222305808.db2.gz LCOIWWBKCHWJAB-OALUTQOASA-N 0 3 375.513 3.008 40 0 GGABHN Cc1ccc(CN2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3C)s1 ZINC000096036952 222373336 /nfs/dbraw/zinc/37/33/36/222373336.db2.gz IUINCSBDOFCPLQ-UHFFFAOYSA-N 0 3 396.564 3.090 40 0 GGABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(Cc2cccnc2)[C@H]3C)s1 ZINC000096062270 222376426 /nfs/dbraw/zinc/37/64/26/222376426.db2.gz SIJFPFSLWWJFRO-KRWDZBQOSA-N 0 3 385.533 3.234 40 0 GGABHN CN(C)CCO[C@H]1CC2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21 ZINC000096079152 222376577 /nfs/dbraw/zinc/37/65/77/222376577.db2.gz HSEPYBRUZAXCLR-NRFANRHFSA-N 0 3 379.504 3.279 40 0 GGABHN O=C(c1cccc2cccnc21)N1CCC[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096076309 222377426 /nfs/dbraw/zinc/37/74/26/222377426.db2.gz RCBIHLNFZMMBHH-QHCPKHFHSA-N 0 3 379.504 3.199 40 0 GGABHN CN(C)CCNC(=O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 ZINC000096091540 222379184 /nfs/dbraw/zinc/37/91/84/222379184.db2.gz JZKLSVNWZPKCQK-UHFFFAOYSA-N 0 3 376.416 3.441 40 0 GGABHN COc1ccc(CNC[C@H]2COCc3nc4cc(C(F)(F)F)ccc4n32)cn1 ZINC000096112701 222381068 /nfs/dbraw/zinc/38/10/68/222381068.db2.gz IYPLGABDFBOCQC-AWEZNQCLSA-N 0 3 392.381 3.320 40 0 biogenic,in-vitro GGABHN Cc1nc(-c2cc(C(=O)N3CC[C@@H](N(C)C)C3)c3ccccn23)cn1C(C)C ZINC000096154952 222393829 /nfs/dbraw/zinc/39/38/29/222393829.db2.gz KZPNPKQDVXTPIF-QGZVFWFLSA-N 0 3 379.508 3.468 40 0 GGABHN Cc1cncc(C(=O)N2CCC3(C[C@H](N(C)Cc4ccccc4)CO3)CC2)c1 ZINC000096221016 222398299 /nfs/dbraw/zinc/39/82/99/222398299.db2.gz GHMBFACAEKCHRM-NRFANRHFSA-N 0 3 379.504 3.286 40 0 GGABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228739 222399430 /nfs/dbraw/zinc/39/94/30/222399430.db2.gz IATLSJVJFMWCBC-QHCPKHFHSA-N 0 3 381.520 3.440 40 0 GGABHN Cc1ccc(CN2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)cc1C ZINC000096230232 222399646 /nfs/dbraw/zinc/39/96/46/222399646.db2.gz AJSXUBXHEJAZCG-UHFFFAOYSA-N 0 3 377.532 3.270 40 0 GGABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C1=O ZINC000101074878 534821107 /nfs/dbraw/zinc/82/11/07/534821107.db2.gz GXCOQECPHALNOB-ACRUOGEOSA-N 0 3 385.423 3.441 40 0 GGABHN COc1cccc(-c2ccc3c(c2)O[C@H]2CN(CC4CC4)C[C@H]2N(C)C3=O)c1 ZINC000514290186 560030196 /nfs/dbraw/zinc/03/01/96/560030196.db2.gz USGCVDDNHVXDLC-IRLDBZIGSA-N 0 3 378.472 3.289 40 0 biogenic,in-vitro GGABHN COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C4CCC4)C[C@H]2N(C)C3=O)c1 ZINC000514288980 560033441 /nfs/dbraw/zinc/03/34/41/560033441.db2.gz DRDBZAWHNVYEFZ-IRLDBZIGSA-N 0 3 378.472 3.432 40 0 biogenic,in-vitro GGABHN OC1(c2csc(CN3CCc4ccccc4C3)n2)CCN(CC2CC2)CC1 ZINC000225474147 560043240 /nfs/dbraw/zinc/04/32/40/560043240.db2.gz YTYUDVOXXAHCNS-UHFFFAOYSA-N 0 3 383.561 3.395 40 0 biogenic,in-vitro GGABHN COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccc4c(c3)OCO4)C2)o1 ZINC000049170032 560084188 /nfs/dbraw/zinc/08/41/88/560084188.db2.gz TZXTUQTVLFGQLI-HNNXBMFYSA-N 0 3 379.416 3.463 40 0 biogenic,in-vitro GGABHN CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C ZINC000030880347 560089903 /nfs/dbraw/zinc/08/99/03/560089903.db2.gz XBOPOFMGWPIGHK-FKBYEOEOSA-N 0 3 399.579 3.339 40 0 biogenic,in-vitro GGABHN CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4cccs4)c23)CC1 ZINC000005433844 560201991 /nfs/dbraw/zinc/20/19/91/560201991.db2.gz XJAJRBQPUZZXKC-DLBZAZTESA-N 0 3 397.544 3.007 40 0 biogenic,in-vitro GGABHN Cn1c(SCCN2CCCC2)nnc1[C@H]1CCCN1Cc1cccs1 ZINC000005001556 564210305 /nfs/dbraw/zinc/21/03/05/564210305.db2.gz LDASGURLOORQQU-MRXNPFEDSA-N 0 3 377.583 3.402 40 0 GGABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2cccc(Br)c2)C1 ZINC000035622941 564415883 /nfs/dbraw/zinc/41/58/83/564415883.db2.gz GWDHQNZKRBNVSU-CABCVRRESA-N 0 3 384.318 3.048 40 0 GGABHN CCOc1cc(CNCCCC(C)C)c(Br)cc1OCC(N)=O ZINC000036612889 564417268 /nfs/dbraw/zinc/41/72/68/564417268.db2.gz LYKAAKXQBYXEQF-UHFFFAOYSA-N 0 3 387.318 3.238 40 0 GGABHN Cc1nc(CSCCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000036397930 564417522 /nfs/dbraw/zinc/41/75/22/564417522.db2.gz XMKDTFXCQUQMIG-QGZVFWFLSA-N 0 3 375.563 3.466 40 0 GGABHN O=C(OCCN1CCCCC1)c1cc2cc(Br)ccc2oc1=O ZINC000036627517 564417662 /nfs/dbraw/zinc/41/76/62/564417662.db2.gz LYSJKHNXRBPXNQ-UHFFFAOYSA-N 0 3 380.238 3.198 40 0 GGABHN O=C(c1cccc(Br)c1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090609007 564870329 /nfs/dbraw/zinc/87/03/29/564870329.db2.gz NIFCXUCGSNDETM-INIZCTEOSA-N 0 3 383.355 3.493 40 0 GGABHN N[C@H](c1n[nH]c(-c2ccc(I)cc2)n1)c1ccccc1 ZINC000095533436 564900263 /nfs/dbraw/zinc/90/02/63/564900263.db2.gz XLTLGNHFETWVEO-ZDUSSCGKSA-N 0 3 376.201 3.124 40 0 GGABHN CC(C)N1CCN(CCc2nc(-c3ccc(Br)cc3)no2)CC1 ZINC000390827914 565559214 /nfs/dbraw/zinc/55/92/14/565559214.db2.gz LZDPAYAMZWPZHO-UHFFFAOYSA-N 0 3 379.302 3.068 40 0 GGABHN COC[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218547672 565899348 /nfs/dbraw/zinc/89/93/48/565899348.db2.gz TYUHYATYANXYKY-QYZOEREBSA-N 0 3 379.909 3.180 40 0 GGABHN COC[C@@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218490294 565899572 /nfs/dbraw/zinc/89/95/72/565899572.db2.gz WEWGCEMQFKLOKG-FHWLQOOXSA-N 0 3 379.909 3.180 40 0 GGABHN CCOC[C@@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218512442 565899905 /nfs/dbraw/zinc/89/99/05/565899905.db2.gz NTWPVCUPGOGXAS-FHWLQOOXSA-N 0 3 379.909 3.261 40 0 GGABHN COC[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218485775 565899930 /nfs/dbraw/zinc/89/99/30/565899930.db2.gz GJCRAEQRDWZTAZ-QYZOEREBSA-N 0 3 379.909 3.180 40 0 GGABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000252515474 566116282 /nfs/dbraw/zinc/11/62/82/566116282.db2.gz KHSLPZBXVIELKS-KZNAEPCWSA-N 0 3 383.872 3.010 40 0 GGABHN Nc1ncnc2nc([C@@H]3CCCN(Cc4cccnc4)C3)cc(C(F)(F)F)c12 ZINC000019743221 570212903 /nfs/dbraw/zinc/21/29/03/570212903.db2.gz MJQXLVZUDSBKIK-CYBMUJFWSA-N 0 3 388.397 3.400 40 0 GGABHN Cc1nccn1C[C@@H]1CCCN(C(=O)CC2CCN(Cc3ccccn3)CC2)C1 ZINC000019748299 570214365 /nfs/dbraw/zinc/21/43/65/570214365.db2.gz NEZVYXKXIJSOLZ-NRFANRHFSA-N 0 3 395.551 3.127 40 0 GGABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccccc1F ZINC000019819051 570221904 /nfs/dbraw/zinc/22/19/04/570221904.db2.gz ACFDTCKYPXVRQK-HNNXBMFYSA-N 0 3 382.391 3.264 40 0 GGABHN COc1cccc(CN2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)c1 ZINC000096244275 570223568 /nfs/dbraw/zinc/22/35/68/570223568.db2.gz ISOVRLMJLFXKMS-QHCPKHFHSA-N 0 3 388.471 3.221 40 0 GGABHN COc1ccc(CN2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000096244254 570223669 /nfs/dbraw/zinc/22/36/69/570223669.db2.gz YCFMZVIHGCQTAP-HSZRJFAPSA-N 0 3 388.471 3.221 40 0 GGABHN CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCCF)cc1 ZINC000585269602 570237464 /nfs/dbraw/zinc/23/74/64/570237464.db2.gz AVOPRGKRNGIAQE-SFHVURJKSA-N 0 3 377.456 3.305 40 0 GGABHN NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3c[nH]c4ccccc34)c2)CC1 ZINC000048333567 570237613 /nfs/dbraw/zinc/23/76/13/570237613.db2.gz DYPWCTLRAMLAIK-UHFFFAOYSA-N 0 3 390.487 3.046 40 0 GGABHN CN(Cc1ccccc1)C(=O)C[C@]1(COc2ccc(Cl)cc2)CNCCO1 ZINC000585272659 570242596 /nfs/dbraw/zinc/24/25/96/570242596.db2.gz PBGZTQGFYGQORW-OAQYLSRUSA-N 0 3 388.895 3.126 40 0 GGABHN CC(=O)N1CCN(C2CCCCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585281840 570247907 /nfs/dbraw/zinc/24/79/07/570247907.db2.gz CCGSLJSMROXTGO-QFIPXVFZSA-N 0 3 392.515 3.131 40 0 GGABHN Cc1cc(C)c(C)c(OC[C@@]2(O)COCCN(CC3(O)CCCCCC3)C2)c1 ZINC000585281874 570248505 /nfs/dbraw/zinc/24/85/05/570248505.db2.gz DGMQSJYPQRNREO-QHCPKHFHSA-N 0 3 391.552 3.139 40 0 GGABHN CC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280911 570249383 /nfs/dbraw/zinc/24/93/83/570249383.db2.gz CKNSBQWULZUHHZ-HSZRJFAPSA-N 0 3 388.552 3.238 40 0 GGABHN FC(F)(F)c1nc(-c2cc([C@@H]3CCCN(Cc4cncnc4)C3)ccn2)no1 ZINC000585289936 570257835 /nfs/dbraw/zinc/25/78/35/570257835.db2.gz NKBICEKOONVGEB-CQSZACIVSA-N 0 3 390.369 3.320 40 0 GGABHN CCCOc1ccccc1CN1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO ZINC000585292141 570261199 /nfs/dbraw/zinc/26/11/99/570261199.db2.gz FFTOVMLQJYAEEI-SFHLNBCPSA-N 0 3 375.896 3.450 40 0 GGABHN Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/CN(C)C)C3)ccn2)n1 ZINC000585292332 570261438 /nfs/dbraw/zinc/26/14/38/570261438.db2.gz KSDKCWAHPUXJGG-ZAOIQFLMSA-N 0 3 379.508 3.352 40 0 GGABHN Cc1cccnc1Nc1cc([C@@H]2CCCN(C(=O)/C=C/CN(C)C)C2)ccn1 ZINC000585292528 570261908 /nfs/dbraw/zinc/26/19/08/570261908.db2.gz OBEBKYBNHZLYGP-MBNRZODZSA-N 0 3 379.508 3.352 40 0 GGABHN CN(C)C/C=C/C(=O)N1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000585292427 570261972 /nfs/dbraw/zinc/26/19/72/570261972.db2.gz MEDVYTMHJOSHCE-NUCSPZLJSA-N 0 3 379.508 3.119 40 0 GGABHN CN(C)C/C=C/C(=O)N1CCC[C@@H](Cc2ccnc(Nc3ccccn3)c2)C1 ZINC000585293093 570262241 /nfs/dbraw/zinc/26/22/41/570262241.db2.gz WRSXVYIYSHWKCV-AIADIJKESA-N 0 3 379.508 3.119 40 0 GGABHN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(C(=O)/C=C/CN(C)C)C3)n2)n1 ZINC000585293260 570262548 /nfs/dbraw/zinc/26/25/48/570262548.db2.gz YVKZMSBWWVOEKO-JGZYNSJSSA-N 0 3 394.523 3.056 40 0 GGABHN Cc1cc(C)nc(Nc2cc([C@H]3CCCN(C(=O)/C=C/CN(C)C)C3)ccn2)n1 ZINC000585292857 570262881 /nfs/dbraw/zinc/26/28/81/570262881.db2.gz SWPBPVHVJVSIGA-FNQPIQQGSA-N 0 3 394.523 3.056 40 0 GGABHN CCc1c(C)nc2cc([C@@H]3CC[N@H+](CC(C)(C)CN4CCCC4)C3)[n-]n2c1=O ZINC000100766997 570277310 /nfs/dbraw/zinc/27/73/10/570277310.db2.gz HOJKFEVEHRSIRM-QGZVFWFLSA-N 0 3 385.556 3.217 40 0 GGABHN CCc1c(C)nc2cc([C@@H]3CC[N@@H+](CC(C)(C)CN4CCCC4)C3)[n-]n2c1=O ZINC000100766997 570277313 /nfs/dbraw/zinc/27/73/13/570277313.db2.gz HOJKFEVEHRSIRM-QGZVFWFLSA-N 0 3 385.556 3.217 40 0 GGABHN Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1[C@H](N)c1ccccc1 ZINC000072223663 570318460 /nfs/dbraw/zinc/31/84/60/570318460.db2.gz VLYMQRIMQHMDIS-HXUWFJFHSA-N 0 3 382.508 3.495 40 0 GGABHN Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[C@@H](N)c1ccccc1 ZINC000072224709 570318575 /nfs/dbraw/zinc/31/85/75/570318575.db2.gz QJFUKPKUKVWPTI-FQEVSTJZSA-N 0 3 382.508 3.495 40 0 GGABHN CC1CCN([C@H](CNC(=O)[C@@H]2COc3ccccc3O2)c2cccs2)CC1 ZINC000022680860 570324238 /nfs/dbraw/zinc/32/42/38/570324238.db2.gz IPCQGTGJANYTPY-APWZRJJASA-N 0 3 386.517 3.477 40 0 GGABHN CC1CCN([C@@H](CNC(=O)[C@@H]2COc3ccccc3O2)c2cccs2)CC1 ZINC000022680857 570324306 /nfs/dbraw/zinc/32/43/06/570324306.db2.gz IPCQGTGJANYTPY-LPHOPBHVSA-N 0 3 386.517 3.477 40 0 GGABHN CCOC[C@@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218647315 570338590 /nfs/dbraw/zinc/33/85/90/570338590.db2.gz UXGCBBCIGWPCAU-FHWLQOOXSA-N 0 3 397.899 3.400 40 0 GGABHN CC1(C)[C@H]2CC[C@@H]1C(=O)N(CCCCN1CCN(Cc3ccccc3)CC1)C2=O ZINC000023469537 570363146 /nfs/dbraw/zinc/36/31/46/570363146.db2.gz HRIXFRQERVYOLW-OYRHEFFESA-N 0 3 397.563 3.006 40 0 GGABHN CCc1ccc([C@@H](CNC(=O)/C=C/c2cc(C(=O)OC)c(C)o2)N(C)C)cc1 ZINC000032734052 570393119 /nfs/dbraw/zinc/39/31/19/570393119.db2.gz SCNMOAYTFDVQLY-YVNCXZRQSA-N 0 3 384.476 3.369 40 0 GGABHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000039758676 570449647 /nfs/dbraw/zinc/44/96/47/570449647.db2.gz IRNPUSYMYZVAKD-UHFFFAOYSA-N 0 3 381.495 3.387 40 0 GGABHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C1CC1 ZINC000223258798 570453715 /nfs/dbraw/zinc/45/37/15/570453715.db2.gz KHEPSSFXZYPMLB-VQTJNVASSA-N 0 3 383.565 3.369 40 0 GGABHN COc1ccc2cc(S(=O)(=O)NCCCN3CCCCCC3)ccc2c1 ZINC000223643981 570476237 /nfs/dbraw/zinc/47/62/37/570476237.db2.gz VBTPHTYHZULBQN-UHFFFAOYSA-N 0 3 376.522 3.393 40 0 GGABHN CCN1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2)CC1 ZINC000006517657 570482255 /nfs/dbraw/zinc/48/22/55/570482255.db2.gz MZGUNHGNIPYFFA-MDWZMJQESA-N 0 3 394.544 3.355 40 0 GGABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1F ZINC000030326266 570488316 /nfs/dbraw/zinc/48/83/16/570488316.db2.gz RITDGVABNVNZHU-UHFFFAOYSA-N 0 3 392.496 3.299 40 0 GGABHN C[C@@H]1CN(CCCCNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H](C)O1 ZINC000079063569 570510483 /nfs/dbraw/zinc/51/04/83/570510483.db2.gz KSCVMEHHHAQEBS-OKILXGFUSA-N 0 3 394.459 3.281 40 0 GGABHN COc1ccc(OCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000224529234 570516707 /nfs/dbraw/zinc/51/67/07/570516707.db2.gz NUSJDRISLJWKTD-UHFFFAOYSA-N 0 3 382.504 3.411 40 0 GGABHN COc1ccccc1OCCNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000224530982 570516741 /nfs/dbraw/zinc/51/67/41/570516741.db2.gz OXQQXBAIUACPCG-UHFFFAOYSA-N 0 3 382.504 3.411 40 0 GGABHN COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000224639929 570521969 /nfs/dbraw/zinc/52/19/69/570521969.db2.gz BQYUROSLSLDOLI-UHFFFAOYSA-N 0 3 394.924 3.423 40 0 GGABHN COc1ccc(F)cc1S(=O)(=O)[N-]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000224698513 570525685 /nfs/dbraw/zinc/52/56/85/570525685.db2.gz CTJSPIKYYUIEFO-UHFFFAOYSA-N 0 3 392.496 3.299 40 0 GGABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)c(C)c1C ZINC000224803701 570531414 /nfs/dbraw/zinc/53/14/14/570531414.db2.gz MPJNRWDPNUCLIG-UHFFFAOYSA-N 0 3 388.533 3.386 40 0 GGABHN COc1ccc(F)cc1S(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000224850658 570534173 /nfs/dbraw/zinc/53/41/73/570534173.db2.gz HSOVXYYMKIDAHX-UHFFFAOYSA-N 0 3 392.496 3.299 40 0 GGABHN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NC1CCN(C)CC1 ZINC000225000573 570542626 /nfs/dbraw/zinc/54/26/26/570542626.db2.gz IUVPZRYVSUIGNP-RGEXLXHISA-N 0 3 383.517 3.038 40 0 GGABHN COc1cc2c(cc1OC)C(=O)[C@H]([C@H](O)C1CCN(Cc3ccccc3)CC1)C2 ZINC000034964947 570548711 /nfs/dbraw/zinc/54/87/11/570548711.db2.gz QKRVJLPAJNHQKT-NZQKXSOJSA-N 0 3 395.499 3.332 40 0 in-vitro GGABHN Cn1c2ccc(CN3CCC[C@H](Cc4nc5ccccc5[nH]4)C3)cc2n(C)c1=O ZINC000036752832 570569995 /nfs/dbraw/zinc/56/99/95/570569995.db2.gz UNWWRFOPJGATTD-MRXNPFEDSA-N 0 3 389.503 3.208 40 0 GGABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000100930418 570578223 /nfs/dbraw/zinc/57/82/23/570578223.db2.gz JSTGERLJWPAZMN-HKBOAZHASA-N 0 3 385.423 3.441 40 0 GGABHN NC(=O)c1cc(N)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000225487765 570579026 /nfs/dbraw/zinc/57/90/26/570579026.db2.gz RPTJHPNCRUAOFG-UHFFFAOYSA-N 0 3 386.499 3.279 40 0 GGABHN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)CC1 ZINC000038854147 570588255 /nfs/dbraw/zinc/58/82/55/570588255.db2.gz TVCLEQKOVGMHKI-GOSISDBHSA-N 0 3 392.927 3.354 40 0 GGABHN COCCN1C(=O)C(CC(=O)Nc2ccc(C)c(C)c2)n2c3ccccc3nc21 ZINC000039963966 570594499 /nfs/dbraw/zinc/59/44/99/570594499.db2.gz JWONWBLROCZPHJ-LJQANCHMSA-N 0 3 392.459 3.216 40 0 GGABHN COc1ccccc1NC(=O)CC1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964121 570594513 /nfs/dbraw/zinc/59/45/13/570594513.db2.gz DYTPOYOMZYGBLE-KRWDZBQOSA-N 0 3 376.416 3.124 40 0 GGABHN COCCN1C(=O)C(CC(=O)Nc2cc(C)cc(C)c2)n2c3ccccc3nc21 ZINC000039963968 570594534 /nfs/dbraw/zinc/59/45/34/570594534.db2.gz CYIIBULTBKFMRR-LJQANCHMSA-N 0 3 392.459 3.216 40 0 GGABHN COc1ccc(C)cc1NC(=O)CC1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964147 570594539 /nfs/dbraw/zinc/59/45/39/570594539.db2.gz LABZYPTWZRYKGE-SFHVURJKSA-N 0 3 390.443 3.432 40 0 GGABHN COCCN1C(=O)C(CC(=O)Nc2ccc(C)cc2F)n2c3ccccc3nc21 ZINC000039963972 570594598 /nfs/dbraw/zinc/59/45/98/570594598.db2.gz QTJIVVBCCFYZDW-GOSISDBHSA-N 0 3 396.422 3.047 40 0 GGABHN COc1ccccc1NC(=O)CC1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964120 570594782 /nfs/dbraw/zinc/59/47/82/570594782.db2.gz DYTPOYOMZYGBLE-QGZVFWFLSA-N 0 3 376.416 3.124 40 0 GGABHN COc1cccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)c1 ZINC000039964109 570594802 /nfs/dbraw/zinc/59/48/02/570594802.db2.gz ZATLVPJFASHHOJ-SFHVURJKSA-N 0 3 376.416 3.124 40 0 GGABHN Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)c1 ZINC000101055418 570616516 /nfs/dbraw/zinc/61/65/16/570616516.db2.gz OJHPYDFJLAURAB-HKBOAZHASA-N 0 3 385.423 3.441 40 0 GGABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)c1 ZINC000101055418 570616518 /nfs/dbraw/zinc/61/65/18/570616518.db2.gz OJHPYDFJLAURAB-HKBOAZHASA-N 0 3 385.423 3.441 40 0 GGABHN Cc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)nc3)CCOCC2)cc1 ZINC000225932987 570634619 /nfs/dbraw/zinc/63/46/19/570634619.db2.gz WNMDOJQMKZZQRQ-UHFFFAOYSA-N 0 3 383.492 3.017 40 0 GGABHN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CNC2CCCCCC2)cc1 ZINC000004895832 570637094 /nfs/dbraw/zinc/63/70/94/570637094.db2.gz YQIUGVUSVMVBCV-OAHLLOKOSA-N 0 3 381.542 3.014 40 0 GGABHN COc1ccc2cc(S(=O)(=O)NCCCN3CCC[C@H](C)C3)ccc2c1 ZINC000260746476 570702017 /nfs/dbraw/zinc/70/20/17/570702017.db2.gz XVHYCLBGDQZRPX-INIZCTEOSA-N 0 3 376.522 3.249 40 0 GGABHN CN(C)C(=O)COCC[C@H]1CCOC12CCN(Cc1cccc(Cl)c1)CC2 ZINC000247959636 570717740 /nfs/dbraw/zinc/71/77/40/570717740.db2.gz DWGSGZMFRYJJJM-SFHVURJKSA-N 0 3 394.943 3.206 40 0 GGABHN CCN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000242581684 570719774 /nfs/dbraw/zinc/71/97/74/570719774.db2.gz OBNSXOAREWNWHG-FHWLQOOXSA-N 0 3 375.513 3.056 40 0 GGABHN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000000934517 570727360 /nfs/dbraw/zinc/72/73/60/570727360.db2.gz ACVSRRWXEUWSPU-UHFFFAOYSA-N 0 3 386.540 3.316 40 0 GGABHN CN1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@H](Cc3cc[nH]n3)C2)CC1 ZINC000257227843 570764059 /nfs/dbraw/zinc/76/40/59/570764059.db2.gz FREVNRYVDFZPPJ-LJQANCHMSA-N 0 3 398.526 3.285 40 0 GGABHN Cc1ncsc1CN1CCC(Cc2nc(C)cc(-c3nccn3C)n2)CC1 ZINC000257243434 570768778 /nfs/dbraw/zinc/76/87/78/570768778.db2.gz IGXZCXFZGYCPIF-UHFFFAOYSA-N 0 3 382.537 3.405 40 0 GGABHN O=C(NCCN1CCCC1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 ZINC000257254210 570770426 /nfs/dbraw/zinc/77/04/26/570770426.db2.gz KCESVSRRRXOACW-UHFFFAOYSA-N 0 3 393.531 3.300 40 0 GGABHN CNC(=O)c1sc2nc([C@]3(C)CCCN(Cc4ccccn4)C3)ccc2c1N ZINC000257260255 570771516 /nfs/dbraw/zinc/77/15/16/570771516.db2.gz LCAADDSZJDXTOK-OAQYLSRUSA-N 0 3 395.532 3.187 40 0 GGABHN Cc1cccc(CN2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000257261921 570771916 /nfs/dbraw/zinc/77/19/16/570771916.db2.gz LJIQSYGFWSIBGC-HDICACEKSA-N 0 3 396.535 3.347 40 0 GGABHN NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccncc2)CC1 ZINC000257278876 570774966 /nfs/dbraw/zinc/77/49/66/570774966.db2.gz OEBNIKOPMRPITQ-UHFFFAOYSA-N 0 3 386.499 3.454 40 0 GGABHN CC(=O)Nc1cccc([C@@H]2CN(Cc3cccnc3)C[C@]23CCCCC(=O)N3)c1 ZINC000257284878 570775673 /nfs/dbraw/zinc/77/56/73/570775673.db2.gz PERWZLHRQPOORG-JTHBVZDNSA-N 0 3 392.503 3.068 40 0 GGABHN CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2Cc1ccnn1C ZINC000257288826 570776388 /nfs/dbraw/zinc/77/63/88/570776388.db2.gz PVWPKZOUSMZZFG-ZLNRFVROSA-N 0 3 380.536 3.397 40 0 GGABHN C[C@@H](N)C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257289744 570776574 /nfs/dbraw/zinc/77/65/74/570776574.db2.gz PZZXPBZIBCTLJQ-XXKLXBPDSA-N 0 3 378.900 3.153 40 0 GGABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CN(C)C)C3)c2)c1 ZINC000257294051 570776992 /nfs/dbraw/zinc/77/69/92/570776992.db2.gz QSGDLINDPLXMRP-QGZVFWFLSA-N 0 3 382.508 3.410 40 0 GGABHN CN1CCC(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257306836 570778984 /nfs/dbraw/zinc/77/89/84/570778984.db2.gz SWFGMPBKACKWSJ-GOSISDBHSA-N 0 3 385.483 3.452 40 0 GGABHN Cc1noc(C)c1-c1cc([C@H]2CCCN2C(=O)C2(C)CCN(C)CC2)nc(C)n1 ZINC000257308658 570779370 /nfs/dbraw/zinc/77/93/70/570779370.db2.gz TXPFRICOTYLFPT-LJQANCHMSA-N 0 3 397.523 3.452 40 0 GGABHN Cc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 ZINC000257318849 570780769 /nfs/dbraw/zinc/78/07/69/570780769.db2.gz VPQNSHLENTZOHD-GOSISDBHSA-N 0 3 396.535 3.476 40 0 GGABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ncccn1)[C@@H]2Cc1ccccc1 ZINC000257319501 570780882 /nfs/dbraw/zinc/78/08/82/570780882.db2.gz VSVPIFGRZVUJPR-IFUXXNRASA-N 0 3 376.504 3.175 40 0 GGABHN CN(C)CCN(C)C(=O)Cn1cccc2cc(-c3ccc(F)c(Cl)c3)nc1-2 ZINC000257333335 570783061 /nfs/dbraw/zinc/78/30/61/570783061.db2.gz YBDRYHDQKGINPV-UHFFFAOYSA-N 0 3 388.874 3.467 40 0 GGABHN CN1CCC(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)CC1 ZINC000257342969 570784630 /nfs/dbraw/zinc/78/46/30/570784630.db2.gz ZQUNUSXODCLANK-SFHVURJKSA-N 0 3 385.483 3.452 40 0 GGABHN COc1cc(OC)cc(C(=O)NC2CCN(CCCOc3ccccc3)CC2)c1 ZINC000012481151 570806629 /nfs/dbraw/zinc/80/66/29/570806629.db2.gz QTHHUZXNHQRYAZ-UHFFFAOYSA-N 0 3 398.503 3.367 40 0 GGABHN Cc1ccsc1CN1CCN(c2ccccc2[C@@H](O)c2nccn2C)CC1 ZINC000072340500 570880437 /nfs/dbraw/zinc/88/04/37/570880437.db2.gz VOFYDAWTQFTHNW-HXUWFJFHSA-N 0 3 382.533 3.194 40 0 GGABHN COCCc1ncc(CN2C[C@H]3[C@@H](C2)CCC[C@]3(O)c2ccc(C)cc2)cn1 ZINC000072340466 570880533 /nfs/dbraw/zinc/88/05/33/570880533.db2.gz XYJQAKXRIMJVLA-NWSQWKLXSA-N 0 3 381.520 3.094 40 0 GGABHN CCCn1cc(S(=O)(=O)N2C[C@H](N(C)CC)CC23CCCCC3)c(C)n1 ZINC000019703981 570896943 /nfs/dbraw/zinc/89/69/43/570896943.db2.gz LOLKXEKSGVBIRS-QGZVFWFLSA-N 0 3 382.574 3.019 40 0 GGABHN CC1=C[C@H](C)[C@@H](CN2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)CC1 ZINC000257344601 570910942 /nfs/dbraw/zinc/91/09/42/570910942.db2.gz ZXYQNHFYMWQQER-WNRNVDISSA-N 0 3 386.540 3.146 40 0 GGABHN Oc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000002528486 570921476 /nfs/dbraw/zinc/92/14/76/570921476.db2.gz XAUKPPPYYOKVQJ-INIZCTEOSA-N 0 3 392.455 3.435 40 0 endogenous,world GGABHN CCn1cc(CN2CCC[C@]3(CCC(=O)N3Cc3csc(C)n3)CC2)cn1 ZINC000585100034 570924274 /nfs/dbraw/zinc/92/42/74/570924274.db2.gz CURYGWKJRZTQOL-FQEVSTJZSA-N 0 3 387.553 3.215 40 0 GGABHN Cc1nnsc1C(=O)N1CCC[C@]12CCCN(Cc1c(C)noc1C)CC2 ZINC000585100446 570924729 /nfs/dbraw/zinc/92/47/29/570924729.db2.gz KQJYERMLZWRJJY-IBGZPJMESA-N 0 3 389.525 3.112 40 0 GGABHN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)N1CCC[C@@H]1CCO ZINC000575106487 570924739 /nfs/dbraw/zinc/92/47/39/570924739.db2.gz WMUJZGQKCNJZON-XPWALMASSA-N 0 3 393.531 3.211 40 0 GGABHN CCn1cc(CN2CCC[C@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)cn1 ZINC000585099835 570925675 /nfs/dbraw/zinc/92/56/75/570925675.db2.gz GCVJUQMURNPRKY-NRFANRHFSA-N 0 3 385.512 3.055 40 0 GGABHN CC(C)C[C@@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 ZINC000019446919 570925875 /nfs/dbraw/zinc/92/58/75/570925875.db2.gz CEGDTPRNAOUHQV-IBGZPJMESA-N 0 3 388.585 3.430 40 0 GGABHN Cc1nc(C)c(CN2CCC[C@@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)s1 ZINC000585099867 570926303 /nfs/dbraw/zinc/92/63/03/570926303.db2.gz NADIZGMIJNNFFP-FXAWDEMLSA-N 0 3 377.554 3.286 40 0 GGABHN CCOC[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218542626 570926676 /nfs/dbraw/zinc/92/66/76/570926676.db2.gz XYKPQFWOCIANQO-BHIFYINESA-N 0 3 387.545 3.479 40 0 GGABHN O=C(COc1ccc2ccccc2c1)N1CCC[C@]2(CCN2C[C@H]2CCCO2)C1 ZINC000585101874 570927219 /nfs/dbraw/zinc/92/72/19/570927219.db2.gz JWCNQOOJDJSGQR-VWNXMTODSA-N 0 3 394.515 3.465 40 0 GGABHN CCOC[C@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218586319 570930238 /nfs/dbraw/zinc/93/02/38/570930238.db2.gz JWMXIIRJSKXPSF-HSALFYBXSA-N 0 3 377.481 3.055 40 0 GGABHN Cc1noc(C)c1CN1C[C@]2(CC1=O)COCCN([C@@H](C)c1ccccc1)C2 ZINC000585104396 570932851 /nfs/dbraw/zinc/93/28/51/570932851.db2.gz LVKXYRWVRLCEEL-HTAPYJJXSA-N 0 3 383.492 3.104 40 0 GGABHN Cc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)s1 ZINC000306125913 570936781 /nfs/dbraw/zinc/93/67/81/570936781.db2.gz DFIXBSHSCKGPJO-UNMCSNQZSA-N 0 3 397.544 3.059 40 0 GGABHN Cc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)s1 ZINC000306125911 570936887 /nfs/dbraw/zinc/93/68/87/570936887.db2.gz DFIXBSHSCKGPJO-IRLDBZIGSA-N 0 3 397.544 3.059 40 0 GGABHN CCn1cc(CN2CC[C@@]3(Cc4ncc(-c5ccccc5OC)n4C3)C2)cn1 ZINC000306126649 570937280 /nfs/dbraw/zinc/93/72/80/570937280.db2.gz FAXYSLUZHCGVJY-JOCHJYFZSA-N 0 3 377.492 3.224 40 0 GGABHN CC(C)CN1CCO[C@]2(CCCC[C@H]2NC(=O)c2ccc3c(c2)CCCO3)C1 ZINC000306128815 570938788 /nfs/dbraw/zinc/93/87/88/570938788.db2.gz HLJZDIINVADPLE-FYYLOGMGSA-N 0 3 386.536 3.411 40 0 GGABHN O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@@H]2[C@H](CN2CC2CCCCC2)C1 ZINC000585108002 570939754 /nfs/dbraw/zinc/93/97/54/570939754.db2.gz SXTPYADENXMVCK-DNVCBOLYSA-N 0 3 384.492 3.240 40 0 GGABHN Cc1cccc(CS(=O)(=O)N2CC[C@@H]3[C@@H](CN3CC3CCCCC3)C2)c1 ZINC000585107881 570939847 /nfs/dbraw/zinc/93/98/47/570939847.db2.gz APCZMRILRNABBR-LEWJYISDSA-N 0 3 376.566 3.411 40 0 GGABHN CC(C)(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccs2)CC1 ZINC000306133284 570940908 /nfs/dbraw/zinc/94/09/08/570940908.db2.gz MHNBBKWPYRULRT-UHFFFAOYSA-N 0 3 387.553 3.097 40 0 GGABHN Cc1cc(CN2CC[C@]3(c4ccccc4)CC[C@@H](N4CCOCC4)C[C@H]23)no1 ZINC000306134128 570941396 /nfs/dbraw/zinc/94/13/96/570941396.db2.gz NEAZVQYXKWMKJJ-VJBWXMMDSA-N 0 3 381.520 3.380 40 0 GGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccccn3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306135491 570941931 /nfs/dbraw/zinc/94/19/31/570941931.db2.gz OSRMFUITWKGIJI-NZQKXSOJSA-N 0 3 393.535 3.087 40 0 GGABHN CC(C)n1cnc([C@H]2CN(Cc3ccccn3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306135490 570942158 /nfs/dbraw/zinc/94/21/58/570942158.db2.gz OSRMFUITWKGIJI-NFBKMPQASA-N 0 3 393.535 3.087 40 0 GGABHN CN1CC2(C1)CN(Cc1ccco1)C[C@@]21CCCN(C(=O)c2ccsc2)CC1 ZINC000306137903 570943160 /nfs/dbraw/zinc/94/31/60/570943160.db2.gz RJTOLNPUUHYWQH-NRFANRHFSA-N 0 3 399.560 3.401 40 0 GGABHN Cc1nc2c(n1CC1CC1)CN(Cc1cccc(C)n1)CC21CCN(C)CC1 ZINC000306138272 570943220 /nfs/dbraw/zinc/94/32/20/570943220.db2.gz RTWNYGRGDRZCET-UHFFFAOYSA-N 0 3 379.552 3.284 40 0 GGABHN Cc1ccc(CN2CCC(n3cnc4ncc(-c5cnn(C)c5)nc43)CC2)s1 ZINC000306138389 570943750 /nfs/dbraw/zinc/94/37/50/570943750.db2.gz RWJFXOMFJHTMPM-UHFFFAOYSA-N 0 3 393.520 3.434 40 0 GGABHN Cc1ccsc1CN1C[C@@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306139229 570944225 /nfs/dbraw/zinc/94/42/25/570944225.db2.gz SSMZVMPVKAGDBS-RTBURBONSA-N 0 3 378.501 3.335 40 0 GGABHN Cc1ccsc1CN1C[C@@H]2[C@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306139226 570944398 /nfs/dbraw/zinc/94/43/98/570944398.db2.gz SSMZVMPVKAGDBS-MOPGFXCFSA-N 0 3 378.501 3.335 40 0 GGABHN Cc1ccsc1CN1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccn1 ZINC000306139228 570944408 /nfs/dbraw/zinc/94/44/08/570944408.db2.gz SSMZVMPVKAGDBS-RBUKOAKNSA-N 0 3 378.501 3.335 40 0 GGABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@@H]1C2 ZINC000306142380 570945941 /nfs/dbraw/zinc/94/59/41/570945941.db2.gz WYCGDOUCNOMSHO-GJZGRUSLSA-N 0 3 397.479 3.035 40 0 GGABHN CC(C)n1cnc([C@@H]2CN(Cc3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306144368 570946279 /nfs/dbraw/zinc/94/62/79/570946279.db2.gz ZDLYHZOKBWCRLB-SIKLNZKXSA-N 0 3 382.508 3.285 40 0 GGABHN Cc1nc2c(n1CC1CC1)CN(CC1CC1)CC21CCN(c2ncccn2)CC1 ZINC000306143526 570946480 /nfs/dbraw/zinc/94/64/80/570946480.db2.gz YEQHADUSXXTSFC-UHFFFAOYSA-N 0 3 392.551 3.155 40 0 GGABHN COc1ccc(-c2cnc3n2C[C@@H]2CN(Cc4cccnc4OC)C[C@@H]2C3)cc1 ZINC000306143809 570946628 /nfs/dbraw/zinc/94/66/28/570946628.db2.gz YNHLGPJMOVEZLT-OALUTQOASA-N 0 3 390.487 3.267 40 0 GGABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019220406 570962869 /nfs/dbraw/zinc/96/28/69/570962869.db2.gz QJTXXGKFQOHJCG-SFHVURJKSA-N 0 3 376.460 3.463 40 0 GGABHN COc1c(C)cccc1CN1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019235960 570966112 /nfs/dbraw/zinc/96/61/12/570966112.db2.gz DVWAANPTDJSYKB-HYVNUMGLSA-N 0 3 391.466 3.498 40 0 GGABHN COc1cc(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)cc(OC)c1OC ZINC000019237699 570967507 /nfs/dbraw/zinc/96/75/07/570967507.db2.gz ISBMSLJSWZHXCB-IXFSTUDKSA-N 0 3 398.503 3.145 40 0 GGABHN Cc1cnn(CCC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)c1 ZINC000019240002 570968701 /nfs/dbraw/zinc/96/87/01/570968701.db2.gz UVXUZENWRFROEN-MQSCRBSSSA-N 0 3 380.536 3.451 40 0 GGABHN Cc1nc(C)n(C[C@H](C)C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)n1 ZINC000019285942 570969598 /nfs/dbraw/zinc/96/95/98/570969598.db2.gz JYZXFLJTGSMPTH-KRWDZBQOSA-N 0 3 399.539 3.280 40 0 GGABHN Cc1nc(C)n(C[C@H](C)C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)n1 ZINC000019285913 570969707 /nfs/dbraw/zinc/96/97/07/570969707.db2.gz CPHCIXYNFCJHDM-LAUBAEHRSA-N 0 3 383.540 3.265 40 0 GGABHN Cc1nc(C)n(C[C@@H](C)C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)n1 ZINC000019285914 570969715 /nfs/dbraw/zinc/96/97/15/570969715.db2.gz CPHCIXYNFCJHDM-DYESRHJHSA-N 0 3 383.540 3.265 40 0 GGABHN Cn1nccc1C(=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 ZINC000019289201 570971001 /nfs/dbraw/zinc/97/10/01/570971001.db2.gz DXFCPZJVBVIXMV-UHFFFAOYSA-N 0 3 384.499 3.265 40 0 GGABHN COc1cc2c(cc1CN1CCC(c3nn(C)c4nccnc34)CC1)CCC2 ZINC000019289441 570971500 /nfs/dbraw/zinc/97/15/00/570971500.db2.gz UGLNOXYVMYNHBB-UHFFFAOYSA-N 0 3 377.492 3.240 40 0 GGABHN Cn1ccnc1[C@H](O)c1ccccc1N1CCN(CCCc2ccccc2)CC1 ZINC000019291330 570971888 /nfs/dbraw/zinc/97/18/88/570971888.db2.gz AFICGIQOTKKMEJ-HSZRJFAPSA-N 0 3 390.531 3.257 40 0 GGABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C1=O ZINC000004312861 570972310 /nfs/dbraw/zinc/97/23/10/570972310.db2.gz GXCOQECPHALNOB-NJYVYQBISA-N 0 3 385.423 3.441 40 0 GGABHN COc1cccc(-c2cnc(NC3CCN(C)CC3)nc2-c2nccn2C)c1 ZINC000019291615 570972429 /nfs/dbraw/zinc/97/24/29/570972429.db2.gz QPOYMYYMMQNUBQ-UHFFFAOYSA-N 0 3 378.480 3.059 40 0 GGABHN O=C(CCc1cccc(Cl)c1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019293372 570973174 /nfs/dbraw/zinc/97/31/74/570973174.db2.gz RJUQKIKLFUTIJK-INIZCTEOSA-N 0 3 384.911 3.115 40 0 GGABHN O=C(Cn1ccnc1)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 ZINC000019293632 570973314 /nfs/dbraw/zinc/97/33/14/570973314.db2.gz QWZOJOWYHITMKC-UHFFFAOYSA-N 0 3 384.499 3.115 40 0 GGABHN FC(F)(F)c1[nH]c2ncccc2c1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000019345119 570977670 /nfs/dbraw/zinc/97/76/70/570977670.db2.gz BCLXCQIYBTXANW-AWEZNQCLSA-N 0 3 382.430 3.126 40 0 GGABHN O=C(NC1CC1)c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 ZINC000019347023 570978061 /nfs/dbraw/zinc/97/80/61/570978061.db2.gz OORNBEFDGOOIMU-QGZVFWFLSA-N 0 3 376.460 3.495 40 0 GGABHN O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1 ZINC000019371978 570981139 /nfs/dbraw/zinc/98/11/39/570981139.db2.gz DYUVCZBPXIXLLP-LJQANCHMSA-N 0 3 376.460 3.379 40 0 GGABHN O=C(N[C@H](c1nccs1)[C@@H]1CCCN(CC2=CCCOC2)C1)c1ccccn1 ZINC000019400307 570982183 /nfs/dbraw/zinc/98/21/83/570982183.db2.gz ANOGUDGDFXJISU-MJGOQNOKSA-N 0 3 398.532 3.068 40 0 GGABHN CC(C)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c2=O)C1 ZINC000019448365 570984980 /nfs/dbraw/zinc/98/49/80/570984980.db2.gz GCSCNXBZUGROOY-IBGZPJMESA-N 0 3 398.482 3.455 40 0 GGABHN CC(=O)N1CCc2nc([C@H]3CCN(Cc4ccc(OC(C)C)cc4)C3)ncc2C1 ZINC000019450584 570985122 /nfs/dbraw/zinc/98/51/22/570985122.db2.gz BJPXBFJSZJXQHR-IBGZPJMESA-N 0 3 394.519 3.158 40 0 GGABHN COc1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)ccc1OC(C)C ZINC000019450752 570985155 /nfs/dbraw/zinc/98/51/55/570985155.db2.gz LYEGSZJBMLOXBU-VSOVRNOCSA-N 0 3 385.508 3.231 40 0 GGABHN COc1cc(CN2CCc3nc(C(C)C)[nH]c(=O)c3CC2)ccc1OC(C)C ZINC000019453751 570986740 /nfs/dbraw/zinc/98/67/40/570986740.db2.gz VISVFVWQMSIZIL-UHFFFAOYSA-N 0 3 385.508 3.290 40 0 GGABHN C[C@H](CN1CCN(c2ccccc2[C@H](O)c2nccn2C)CC1)c1ccccc1 ZINC000019456193 570987234 /nfs/dbraw/zinc/98/72/34/570987234.db2.gz GMFMJFKXFWEDAR-XXBNENTESA-N 0 3 390.531 3.428 40 0 GGABHN CC1(C)Cc2cc(CN3CC[C@@H](c4nnc(-c5cnccn5)o4)C3)ccc2O1 ZINC000019461731 570988749 /nfs/dbraw/zinc/98/87/49/570988749.db2.gz ZQJFGDQLHIHKAK-OAHLLOKOSA-N 0 3 377.448 3.230 40 0 GGABHN CC1(C)Cc2nc(C3CCN(C[C@H](O)c4ccccc4)CC3)ncc2[C@H](O)C1 ZINC000019461367 570988828 /nfs/dbraw/zinc/98/88/28/570988828.db2.gz OUHYGBOHEDGUPR-RTWAWAEBSA-N 0 3 381.520 3.395 40 0 GGABHN C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)C1 ZINC000019462571 570988916 /nfs/dbraw/zinc/98/89/16/570988916.db2.gz BDYPUITYUCIVNT-IAGOWNOFSA-N 0 3 396.535 3.232 40 0 GGABHN C[C@@H]1C[C@H](C)CN(CC(=O)N2C[C@@H](c3ccccc3)[C@H](c3csnn3)C2)C1 ZINC000019462539 570989022 /nfs/dbraw/zinc/98/90/22/570989022.db2.gz RRHAZWNVHZOWBE-OGWHTMIXSA-N 0 3 384.549 3.226 40 0 GGABHN C[C@H]1C[C@H](C)CN(CC(=O)N2C[C@@H](c3ccccc3)[C@H](c3csnn3)C2)C1 ZINC000019462542 570989059 /nfs/dbraw/zinc/98/90/59/570989059.db2.gz RRHAZWNVHZOWBE-PBWTXFEYSA-N 0 3 384.549 3.226 40 0 GGABHN CC1CCN(CCNC(=O)c2cc(-c3cccnc3)c3cnccc3n2)CC1 ZINC000019496910 570990036 /nfs/dbraw/zinc/99/00/36/570990036.db2.gz JGFFXLGIIBQSEX-UHFFFAOYSA-N 0 3 375.476 3.154 40 0 GGABHN CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CCCC[C@H]3CN(C)C)cc2N1 ZINC000019520566 570994120 /nfs/dbraw/zinc/99/41/20/570994120.db2.gz LDFSAPZZDYXCOY-VNHYZAJKSA-N 0 3 387.450 3.137 40 0 GGABHN CCS(=O)(=O)NC1CCN(CC2(c3ccc(OC)cc3)CCCCC2)CC1 ZINC000019520489 570994203 /nfs/dbraw/zinc/99/42/03/570994203.db2.gz ZXUKYWLRCZNFRL-UHFFFAOYSA-N 0 3 394.581 3.301 40 0 GGABHN CCCc1cc(C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)cs1 ZINC000019525258 570996698 /nfs/dbraw/zinc/99/66/98/570996698.db2.gz IVEQHUOKJURNDE-UHFFFAOYSA-N 0 3 384.549 3.498 40 0 GGABHN CCCc1ccc(C[N@@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)s1 ZINC000019525492 570997253 /nfs/dbraw/zinc/99/72/53/570997253.db2.gz VCCAQYCCWIIUHD-UHFFFAOYSA-N 0 3 380.517 3.447 40 0 GGABHN CCCc1ccc(C[N@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)s1 ZINC000019525492 570997256 /nfs/dbraw/zinc/99/72/56/570997256.db2.gz VCCAQYCCWIIUHD-UHFFFAOYSA-N 0 3 380.517 3.447 40 0 GGABHN CCN1CCC[C@@H]1CN(Cc1cccs1)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000019527135 570997817 /nfs/dbraw/zinc/99/78/17/570997817.db2.gz XSEVLJIDLWZVEW-GOSISDBHSA-N 0 3 398.576 3.425 40 0 GGABHN CCN1CCC[C@@H]1CN(Cc1ccnn1[C@@H]1CCCCO1)Cc1ccccn1 ZINC000019527171 570997895 /nfs/dbraw/zinc/99/78/95/570997895.db2.gz OZTWTTDLLHEPNA-IRLDBZIGSA-N 0 3 383.540 3.464 40 0 GGABHN CCOC1CCN(Cc2c3ncccc3[nH]c2[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000019530983 570998635 /nfs/dbraw/zinc/99/86/35/570998635.db2.gz DDAOEFPUKCWUCC-QGZVFWFLSA-N 0 3 384.524 3.290 40 0 GGABHN CCOc1ccc(CCC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019533149 570999687 /nfs/dbraw/zinc/99/96/87/570999687.db2.gz UGECFJMAQLSMGK-NRFANRHFSA-N 0 3 394.519 3.207 40 0 GGABHN CCOc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc1OC ZINC000019533796 570999834 /nfs/dbraw/zinc/99/98/34/570999834.db2.gz SCHKRMQKCZLIMZ-KRWDZBQOSA-N 0 3 395.507 3.407 40 0 GGABHN COc1ccc(C2(CN3CCC(NC(=O)c4cnc(C)nc4C)CC3)CC2)cc1 ZINC000019552573 571002012 /nfs/dbraw/zinc/00/20/12/571002012.db2.gz GQPBEIPVBCVJKP-UHFFFAOYSA-N 0 3 394.519 3.028 40 0 GGABHN Cc1nn(CCC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)c(C)c1C ZINC000019557141 571004059 /nfs/dbraw/zinc/00/40/59/571004059.db2.gz VGXOGBYDOAWXOJ-MQSCRBSSSA-N 0 3 398.526 3.426 40 0 GGABHN COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2cccnc2)cc1 ZINC000019557621 571004077 /nfs/dbraw/zinc/00/40/77/571004077.db2.gz LTTSPLKMODXWMV-PKTZIBPZSA-N 0 3 387.483 3.488 40 0 GGABHN COc1ccc(C2(CN3CCC(NC(=O)c4scnc4C)CC3)CC2)cc1 ZINC000019562265 571006059 /nfs/dbraw/zinc/00/60/59/571006059.db2.gz UBUGALUSIZEEIV-UHFFFAOYSA-N 0 3 385.533 3.386 40 0 GGABHN CCN(CC)[C@H](CNC(=O)CCCNC(=O)c1ccsc1)c1ccccc1 ZINC000012752622 571006255 /nfs/dbraw/zinc/00/62/55/571006255.db2.gz TYUBEKGRPUUUII-LJQANCHMSA-N 0 3 387.549 3.457 40 0 GGABHN COc1cccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019565063 571007095 /nfs/dbraw/zinc/00/70/95/571007095.db2.gz BYJZAAWVGVCZKQ-HYVNUMGLSA-N 0 3 395.429 3.487 40 0 GGABHN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019565345 571007539 /nfs/dbraw/zinc/00/75/39/571007539.db2.gz XRNDRDHWSVNRJP-AWEZNQCLSA-N 0 3 393.466 3.023 40 0 GGABHN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019565380 571007715 /nfs/dbraw/zinc/00/77/15/571007715.db2.gz LWNFTOMOEBNVBT-LJQANCHMSA-N 0 3 393.466 3.371 40 0 GGABHN COc1cc(C)c(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc1OC ZINC000019567085 571008023 /nfs/dbraw/zinc/00/80/23/571008023.db2.gz JIGNWCVJWXVNJF-INIZCTEOSA-N 0 3 395.507 3.325 40 0 GGABHN COc1cccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)c1OC ZINC000019568141 571008815 /nfs/dbraw/zinc/00/88/15/571008815.db2.gz BCOOHJGHUCUCPJ-APWZRJJASA-N 0 3 376.403 3.092 40 0 GGABHN COc1ccc(CCCC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c(C)c1 ZINC000019570573 571009716 /nfs/dbraw/zinc/00/97/16/571009716.db2.gz UHGULZXXUJEYSB-OAQYLSRUSA-N 0 3 394.519 3.126 40 0 GGABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccn1Cc1ccc(Cl)c(Cl)c1 ZINC000019575308 571011647 /nfs/dbraw/zinc/01/16/47/571011647.db2.gz WZKVUBPBNVLPFC-ZTFGCOKTSA-N 0 3 394.346 3.483 40 0 GGABHN COc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)c(C)c1C ZINC000019577286 571012340 /nfs/dbraw/zinc/01/23/40/571012340.db2.gz XFHRIBAZPAHGHO-IBGZPJMESA-N 0 3 390.487 3.447 40 0 GGABHN COc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)c(C)c1C ZINC000019577286 571012342 /nfs/dbraw/zinc/01/23/42/571012342.db2.gz XFHRIBAZPAHGHO-IBGZPJMESA-N 0 3 390.487 3.447 40 0 GGABHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2 ZINC000019581969 571013793 /nfs/dbraw/zinc/01/37/93/571013793.db2.gz QZIJUFAMMDJBHI-OFQRWUPVSA-N 0 3 399.461 3.137 40 0 GGABHN Cc1occc1-c1nc(NCCCN2CCN(C)CC2)ncc1-c1ccncc1 ZINC000019583073 571013958 /nfs/dbraw/zinc/01/39/58/571013958.db2.gz BUUOIPIVOULQKD-UHFFFAOYSA-N 0 3 392.507 3.156 40 0 GGABHN CN(C)CCOc1ccccc1C(=O)N1CCC(Oc2ccccc2F)CC1 ZINC000019582993 571013994 /nfs/dbraw/zinc/01/39/94/571013994.db2.gz UNCJHVMFYYIQPZ-UHFFFAOYSA-N 0 3 386.467 3.450 40 0 GGABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)c2cccnc21 ZINC000019583157 571014321 /nfs/dbraw/zinc/01/43/21/571014321.db2.gz UPQLDHIKYFGFOU-GOSISDBHSA-N 0 3 383.540 3.279 40 0 GGABHN CN1CCC(N(CCc2ccccc2)C(=O)c2ccnc(N3CCCC3)c2)CC1 ZINC000019588131 571015821 /nfs/dbraw/zinc/01/58/21/571015821.db2.gz BQNSOYBAAUBIEY-UHFFFAOYSA-N 0 3 392.547 3.461 40 0 GGABHN CN1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)c2csc4c2CCCC4)C3)C1 ZINC000019588658 571016220 /nfs/dbraw/zinc/01/62/20/571016220.db2.gz SHISGFOKQNLOCV-OAHLLOKOSA-N 0 3 396.560 3.425 40 0 GGABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCCN1CCCC1=O ZINC000019590177 571017107 /nfs/dbraw/zinc/01/71/07/571017107.db2.gz YGNPCVXMGJZNCQ-PQNGQFLHSA-N 0 3 397.563 3.258 40 0 GGABHN CN1CCc2nc([C@H]3CCN(C(=O)c4csc5c4CCCC5)C3)ncc2C1 ZINC000019590647 571017823 /nfs/dbraw/zinc/01/78/23/571017823.db2.gz ILPPVHZOTQHZNV-AWEZNQCLSA-N 0 3 382.533 3.035 40 0 GGABHN COCCOc1cccc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019590341 571017992 /nfs/dbraw/zinc/01/79/92/571017992.db2.gz UOSPEUMGZRWXES-QFIPXVFZSA-N 0 3 396.535 3.217 40 0 GGABHN CN1CCc2nc([C@H]3CCCN(C(=O)CCCc4ccc(F)cc4)C3)ncc2C1 ZINC000019590383 571018144 /nfs/dbraw/zinc/01/81/44/571018144.db2.gz IOQOQEPBCIHHHT-SFHVURJKSA-N 0 3 396.510 3.333 40 0 GGABHN Cc1cc(C)n(C2CCN(Cc3ccc(OCC(=O)N4CCCC4)cc3)CC2)n1 ZINC000019656765 571023792 /nfs/dbraw/zinc/02/37/92/571023792.db2.gz GABVBRQEEUKAPS-UHFFFAOYSA-N 0 3 396.535 3.338 40 0 GGABHN CC(C)(CNC(=O)CCn1c(=O)oc2cc(Cl)ccc21)N1CCCCC1 ZINC000019661521 571025762 /nfs/dbraw/zinc/02/57/62/571025762.db2.gz QCPZAAFHAIVGDV-UHFFFAOYSA-N 0 3 379.888 3.019 40 0 GGABHN Cc1c(C(=O)NCCN2CC[C@H](c3ccccc3)C2)cccc1N1CCOCC1 ZINC000019664155 571026972 /nfs/dbraw/zinc/02/69/72/571026972.db2.gz FOHSXSFXVCGLPL-NRFANRHFSA-N 0 3 393.531 3.051 40 0 GGABHN CC(=O)N1CCC[C@@H]1c1cc(N2CCN(Cc3cnc(C)s3)CC2)cc(C)n1 ZINC000019697974 571030374 /nfs/dbraw/zinc/03/03/74/571030374.db2.gz JDGNKZPXYHCHEI-OAQYLSRUSA-N 0 3 399.564 3.161 40 0 GGABHN Cc1ccc(CC(=O)N2CCC[C@H]2c2cc(N3CCN(C)CC3)cc(C)n2)cc1 ZINC000019698205 571030549 /nfs/dbraw/zinc/03/05/49/571030549.db2.gz ZWXNHTXAPVQNCB-QHCPKHFHSA-N 0 3 392.547 3.356 40 0 GGABHN Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000019698119 571030563 /nfs/dbraw/zinc/03/05/63/571030563.db2.gz GBDOWDBBDOCWHZ-QFIPXVFZSA-N 0 3 396.510 3.187 40 0 GGABHN CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)CC3CCCC3)CC2)cc(C)n1 ZINC000019698025 571030641 /nfs/dbraw/zinc/03/06/41/571030641.db2.gz ALCPOAYXODZOEH-JOCHJYFZSA-N 0 3 398.551 3.302 40 0 GGABHN CCn1cc(-c2cc(C(=O)N[C@H](C)CN3CCCC3)c3ccccc3n2)cn1 ZINC000019716475 571038216 /nfs/dbraw/zinc/03/82/16/571038216.db2.gz BJFTXDCGNRZCOH-MRXNPFEDSA-N 0 3 377.492 3.332 40 0 GGABHN CC(C)(CN1CCCCC1)NC(=O)[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000019716643 571038734 /nfs/dbraw/zinc/03/87/34/571038734.db2.gz HGDONXSNYRYZKT-IBGZPJMESA-N 0 3 393.959 3.094 40 0 GGABHN CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C(C)C)CC1 ZINC000100177774 571048654 /nfs/dbraw/zinc/04/86/54/571048654.db2.gz WOHFPTHUTMULHV-ZCNNSNEGSA-N 0 3 389.540 3.444 40 0 GGABHN O=C1C[C@H](NCCc2ccccc2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 ZINC000005900141 1398489548 /nfs/dbraw/zinc/48/95/48/1398489548.db2.gz IONQALSNYCQEDB-INIZCTEOSA-N 0 3 394.805 3.319 40 0 GGABHN CC(=O)N1Cc2ccccc2O[C@@H]([C@H]2CCCN(Cc3ccncc3C)C2)C1 ZINC000019239512 1399328564 /nfs/dbraw/zinc/32/85/64/1399328564.db2.gz JSTZTLMGBSLWOX-NZQKXSOJSA-N 0 3 379.504 3.412 40 0 GGABHN CCOc1ccc(CN2CCCC[C@@H]3[C@H]2CCN3C(C)=O)cc1Cn1cccn1 ZINC000019712572 1399336028 /nfs/dbraw/zinc/33/60/28/1399336028.db2.gz OVOMVHWRYOUDMN-FGZHOGPDSA-N 0 3 396.535 3.305 40 0 GGABHN CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2ccc(C(C)C)cc2)CC3)C1 ZINC000019709531 1399336057 /nfs/dbraw/zinc/33/60/57/1399336057.db2.gz SWHTUNLVNFYNSB-OAQYLSRUSA-N 0 3 395.551 3.186 40 0 GGABHN COc1cc2c(cc1CN1CC[C@@]3(C)[C@@H]1CCCCCN3C(C)=O)OCCO2 ZINC000019713377 1399337361 /nfs/dbraw/zinc/33/73/61/1399337361.db2.gz BEOKIDHFRSQMNU-VXKWHMMOSA-N 0 3 388.508 3.222 40 0 GGABHN COc1cccc2cc(CN3CCC(Cc4nc(C)ncc4C(N)=O)CC3)oc21 ZINC000019756813 1399337874 /nfs/dbraw/zinc/33/78/74/1399337874.db2.gz PFGJQTZEWHKCTN-UHFFFAOYSA-N 0 3 394.475 3.093 40 0 GGABHN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OCCN(C)C)c3n2)cc1 ZINC000021789045 1399409192 /nfs/dbraw/zinc/40/91/92/1399409192.db2.gz IDYGHOSDVXLZMD-UHFFFAOYSA-N 0 3 392.381 3.442 40 0 GGABHN CN(C)CCOC(=O)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000021792688 1399410158 /nfs/dbraw/zinc/41/01/58/1399410158.db2.gz LFFKWZYDORGDLY-UHFFFAOYSA-N 0 3 396.344 3.273 40 0 GGABHN CCc1ccc([C@H](CNC(=O)CCc2ccc3c(c2)OCCO3)N(C)C)cc1 ZINC000027597704 1400064783 /nfs/dbraw/zinc/06/47/83/1400064783.db2.gz XOUSURNMHUXEQY-FQEVSTJZSA-N 0 3 382.504 3.372 40 0 GGABHN C[C@H]1CN(CCCCNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H](C)O1 ZINC000079063575 1409953604 /nfs/dbraw/zinc/95/36/04/1409953604.db2.gz KSCVMEHHHAQEBS-KBPBESRZSA-N 0 3 394.459 3.281 40 0 GGABHN CCOc1ccc([C@H](N)c2nc(CNc3cccc(OC)c3)n[nH]2)cc1OCC ZINC000095534550 1410315577 /nfs/dbraw/zinc/31/55/77/1410315577.db2.gz WRXWKBHDPVDPKX-FQEVSTJZSA-N 0 3 397.479 3.271 40 0 GGABHN