smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(C(=O)[C@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)c1 ZINC000011938433 204364486 /nfs/dbraw/zinc/36/44/86/204364486.db2.gz LQKDLUCAWZDYBT-IBGZPJMESA-N 0 1 390.483 4.347 10 0 GIAEMN c1ccc2cc(CN3CCOc4ccc(CN5CCOCC5)cc4C3)ccc2c1 ZINC000012167762 221161966 /nfs/dbraw/zinc/16/19/66/221161966.db2.gz FMMSTRFBQNWMLX-UHFFFAOYSA-N 0 1 388.511 4.067 10 0 GIAEMN Cc1ccc2nc(-c3ccc(NC(=O)CNCc4ccncc4)cc3)sc2c1 ZINC000020407810 570254654 /nfs/dbraw/zinc/25/46/54/570254654.db2.gz YKHBVLPEKZGETE-UHFFFAOYSA-N 0 1 388.496 4.395 10 0 GIAEMN C[C@@H](c1cc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)on1)c1ccccc1 ZINC000012242499 204386521 /nfs/dbraw/zinc/38/65/21/204386521.db2.gz IMTZZQZMGOKZHE-GFCCVEGCSA-N 0 1 380.835 4.286 10 0 GIAEMN C[C@@H](CNC(=O)CN1CC[C@H](c2ccccc2)C1)c1nc2ccccc2s1 ZINC000050963143 205131623 /nfs/dbraw/zinc/13/16/23/205131623.db2.gz BMFDSTYQPNLEHW-WMZOPIPTSA-N 0 1 379.529 4.006 10 0 GIAEMN COc1ccc(CN[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)cc1O ZINC000012050419 221144983 /nfs/dbraw/zinc/14/49/83/221144983.db2.gz DZEKLXFWYLBQMG-FQEVSTJZSA-N 0 1 377.488 4.371 10 0 GIAEMN O=C(c1cc2c(s1)CN(C1CCCC1)C2)N1CCN(c2ccccc2F)CC1 ZINC000065239077 136160968 /nfs/dbraw/zinc/16/09/68/136160968.db2.gz KDWOQFVAEIXJPY-UHFFFAOYSA-N 0 1 399.535 4.108 10 0 GIAEMN O=C(c1cccnc1)[C@H]1CCCN(Cc2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000019795033 570219842 /nfs/dbraw/zinc/21/98/42/570219842.db2.gz YINPYOQPSVPFLP-SFHVURJKSA-N 0 1 386.455 4.313 10 0 GIAEMN C[C@H](c1cc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)on1)c1ccccc1 ZINC000012242498 204386370 /nfs/dbraw/zinc/38/63/70/204386370.db2.gz IMTZZQZMGOKZHE-LBPRGKRZSA-N 0 1 380.835 4.286 10 0 GIAEMN Cc1c([C@H](C)NCc2ccc3nsnc3c2)cnn1-c1ccc(F)cc1F ZINC000055060560 205141187 /nfs/dbraw/zinc/14/11/87/205141187.db2.gz NFSXTXLZNLNPFQ-NSHDSACASA-N 0 1 385.443 4.314 10 0 GIAEMN CCCc1n[nH]c(-c2cccc(OC)c2)c1NC(=O)Cc1ccc(OC)cc1 ZINC000034796170 570544307 /nfs/dbraw/zinc/54/43/07/570544307.db2.gz LBAYTFMELVXQOF-UHFFFAOYSA-N 0 1 379.460 4.228 10 0 GIAEMN CCOc1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN24)ccc1OC ZINC000011873671 204358754 /nfs/dbraw/zinc/35/87/54/204358754.db2.gz RKBQSFOVBVHUDH-WXVUKLJWSA-N 0 1 392.499 4.036 10 0 GIAEMN OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc3ccccc3n2)CC1 ZINC000011937706 204365034 /nfs/dbraw/zinc/36/50/34/204365034.db2.gz HSSOWINFEPJIOX-UHFFFAOYSA-N 0 1 399.494 4.459 10 0 GIAEMN COc1cccc(C(=O)[C@@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)c1 ZINC000011938432 204365166 /nfs/dbraw/zinc/36/51/66/204365166.db2.gz LQKDLUCAWZDYBT-LJQANCHMSA-N 0 1 390.483 4.347 10 0 GIAEMN CC(C)(C)OC(=O)N[C@@H]1CCN[C@@H](c2cc(Cl)ccc2Br)C1 ZINC000675055711 570899734 /nfs/dbraw/zinc/89/97/34/570899734.db2.gz WWGJHOGBAQNVEM-BXUZGUMPSA-N 0 1 389.721 4.420 10 0 GIAEMN CCc1n[nH]c(I)c1-c1ccc(Br)cc1 ZINC000675077106 570910601 /nfs/dbraw/zinc/91/06/01/570910601.db2.gz XUZYYHZNHOKYBX-UHFFFAOYSA-N 0 1 377.023 4.006 10 0 GIAEMN O=C(CCCN1Cc2ccccc2C1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000012758067 571007394 /nfs/dbraw/zinc/00/73/94/571007394.db2.gz XQXNZSUHSNDDHE-JOCHJYFZSA-N 0 1 381.495 4.025 10 0 GIAEMN O=C(N[C@@H]1CN2CCC1CC2)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000004659674 204060314 /nfs/dbraw/zinc/06/03/14/204060314.db2.gz TVTPULQQHMVCMT-JOCHJYFZSA-N 0 1 391.902 4.379 10 0 GIAEMN CCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000037560035 205028994 /nfs/dbraw/zinc/02/89/94/205028994.db2.gz MIXDAUDCHMZVOK-UHFFFAOYSA-N 0 1 396.531 4.420 10 0 GIAEMN Cc1ccsc1C[N@H+](Cc1ccccn1)Cc1ccccc1OCC(=O)[O-] ZINC000055060844 205141698 /nfs/dbraw/zinc/14/16/98/205141698.db2.gz UWXZBSCTXKSPSM-UHFFFAOYSA-N 0 1 382.485 4.117 10 0 GIAEMN Cc1ccsc1C[N@@H+](Cc1ccccn1)Cc1ccccc1OCC(=O)[O-] ZINC000055060844 205141702 /nfs/dbraw/zinc/14/17/02/205141702.db2.gz UWXZBSCTXKSPSM-UHFFFAOYSA-N 0 1 382.485 4.117 10 0 GIAEMN COc1ccccc1CN1C[C@@H]2C[C@@H](c3cccc(Cl)c3)N3CCC[C@@]23C1=O ZINC000012716906 570967684 /nfs/dbraw/zinc/96/76/84/570967684.db2.gz MOKGGDUJJZUEEJ-LEDOBFOHSA-N 0 1 396.918 4.287 10 0 GIAEMN O[C@H](c1ccccc1)C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2F)CC1 ZINC000011663906 204349204 /nfs/dbraw/zinc/34/92/04/204349204.db2.gz MQTZSRSXOUCATO-JOCHJYFZSA-N 0 1 383.442 4.301 10 0 GIAEMN COc1cccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)c1 ZINC000036098524 205004830 /nfs/dbraw/zinc/00/48/30/205004830.db2.gz PGCODZOLZNMTEO-OAQYLSRUSA-N 0 1 399.462 4.007 10 0 GIAEMN Cc1cc2nc(N3CCCN(C/C=C/c4ccco4)CC3)nc(C)c2cc1C ZINC000055109118 205144179 /nfs/dbraw/zinc/14/41/79/205144179.db2.gz PAMXHLQJWSWQKE-QPJJXVBHSA-N 0 1 376.504 4.374 10 0 GIAEMN Cc1sc(-c2n[nH]c3ccccc32)nc1-c1ccc(N2CCN(C)CC2)cc1 ZINC000147180534 136193029 /nfs/dbraw/zinc/19/30/29/136193029.db2.gz PDAZNPGDXKTVOE-UHFFFAOYSA-N 0 1 389.528 4.414 10 0 GIAEMN COCCCN1C(=O)c2n[nH]c(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc(O)cc1 ZINC000015920681 207067356 /nfs/dbraw/zinc/06/73/56/207067356.db2.gz CAQJYRUMBNWUMR-FQEVSTJZSA-N 0 1 397.862 4.017 10 0 GIAEMN COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc4ccccc4n3)C2)cc1OC ZINC000012448459 207314099 /nfs/dbraw/zinc/31/40/99/207314099.db2.gz CMPZFRMIOVCDQO-IBGZPJMESA-N 0 1 390.483 4.347 10 0 GIAEMN O[C@@H](COCc1ccco1)CN(Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036031172 570517680 /nfs/dbraw/zinc/51/76/80/570517680.db2.gz OAGYCEBPECVNCK-LJQANCHMSA-N 0 1 375.465 4.060 10 0 GIAEMN CCc1onc(C)c1[C@@H]1CCCN1Cc1c[nH]nc1-c1ccc(OC)c(OC)c1 ZINC000021720791 207236584 /nfs/dbraw/zinc/23/65/84/207236584.db2.gz VCXJJYFMMGTJOE-KRWDZBQOSA-N 0 1 396.491 4.290 10 0 GIAEMN COc1ccc(-c2n[nH]c(SCc3cc(=O)c4c(C)cc(C)cc4[nH]3)n2)cc1 ZINC000041108688 209095435 /nfs/dbraw/zinc/09/54/35/209095435.db2.gz JYHHSMARWHRMKK-UHFFFAOYSA-N 0 1 392.484 4.231 10 0 GIAEMN Cc1nc(C)c(CN2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000096296476 209012903 /nfs/dbraw/zinc/01/29/03/209012903.db2.gz KMXXBWRVOGEWTK-MRXNPFEDSA-N 0 1 386.439 4.059 10 0 GIAEMN CS(=O)(=O)c1ccc(C(=CC2CCCC2)c2ncc(C(F)(F)F)[nH]2)cc1 ZINC000095830736 222360778 /nfs/dbraw/zinc/36/07/78/222360778.db2.gz MVFNUGVECMMTAM-XNTDXEJSSA-N 0 1 384.423 4.454 10 0 GIAEMN c1[nH]nc(C2CCCCC2)c1CN1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 ZINC000012317872 570306539 /nfs/dbraw/zinc/30/65/39/570306539.db2.gz IUMGNUPJEAGLGD-LJQANCHMSA-N 0 1 382.508 4.263 10 0 GIAEMN COc1cc(-c2coc3cc4c(c(=O)c-3c2O)C=CC(C)(C)O4)c(OC)cc1O ZINC000015150823 291137763 /nfs/dbraw/zinc/13/77/63/291137763.db2.gz SHCMKWXVHLOSIU-UHFFFAOYSA-N 0 1 396.395 4.073 10 0 biogenic,in-vitro GIAEMN COc1cc(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)c(OC)cc1O ZINC000015150823 291137768 /nfs/dbraw/zinc/13/77/68/291137768.db2.gz SHCMKWXVHLOSIU-UHFFFAOYSA-N 0 1 396.395 4.073 10 0 biogenic,in-vitro GIAEMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000040173927 206263920 /nfs/dbraw/zinc/26/39/20/206263920.db2.gz NUUKVGZXBHMDNO-AWEZNQCLSA-N 0 1 381.785 4.349 10 0 GIAEMN CC(=O)C1(c2cccc(O)c2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC000005431005 206293644 /nfs/dbraw/zinc/29/36/44/206293644.db2.gz OYNHETROIZLKBD-UHFFFAOYSA-N 0 1 383.463 4.117 10 0 GIAEMN CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cc(=O)c4ccccc4[nH]3)C2)cc1 ZINC000096683515 208320140 /nfs/dbraw/zinc/32/01/40/208320140.db2.gz UAQRBLVODDQTHV-QGZVFWFLSA-N 0 1 392.524 4.345 10 0 GIAEMN CCc1ccc(-c2nc(CN3CCC[C@@H](C(=O)NC4CCCC4)C3)c(C)o2)cc1 ZINC000005055932 570407349 /nfs/dbraw/zinc/40/73/49/570407349.db2.gz RLYCUNLMQFJSFJ-HXUWFJFHSA-N 0 1 395.547 4.483 10 0 GIAEMN COCCCN1C(=O)c2n[nH]c(-c3ccc(Cl)cc3)c2[C@@H]1c1cccs1 ZINC000015920685 207067502 /nfs/dbraw/zinc/06/75/02/207067502.db2.gz VQQZRMXQOGOFDT-SFHVURJKSA-N 0 1 387.892 4.373 10 0 GIAEMN O=C(c1cccnc1)[C@@H]1CCCN(Cc2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000019795032 207163749 /nfs/dbraw/zinc/16/37/49/207163749.db2.gz YINPYOQPSVPFLP-GOSISDBHSA-N 0 1 386.455 4.313 10 0 GIAEMN CC(=O)Nc1cccc(C(=O)Nc2cccc(OCCc3ccccc3)c2)c1O ZINC000090759757 208113624 /nfs/dbraw/zinc/11/36/24/208113624.db2.gz BFAMONLHCZVTBJ-UHFFFAOYSA-N 0 1 390.439 4.224 10 0 GIAEMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)c(C)n2C)sc1C ZINC000064668341 570514289 /nfs/dbraw/zinc/51/42/89/570514289.db2.gz FTVQWCSIIBWRLG-UHFFFAOYSA-N 0 1 397.472 4.153 10 0 GIAEMN COc1cccc(CN(Cc2ccc(F)cc2)C[C@H](O)COCc2ccco2)c1 ZINC000036098522 570536634 /nfs/dbraw/zinc/53/66/34/570536634.db2.gz PGCODZOLZNMTEO-NRFANRHFSA-N 0 1 399.462 4.007 10 0 GIAEMN O=C1CCN(Cc2cnc(-c3ccccc3)s2)CCN1Cc1ccc(F)cc1 ZINC000014993973 207039014 /nfs/dbraw/zinc/03/90/14/207039014.db2.gz IAEMJHSPZSXJNM-UHFFFAOYSA-N 0 1 395.503 4.184 10 0 GIAEMN C[C@H](c1ccco1)N(C)Cc1ccc(-c2nc3c(c(=O)[nH]2)CCCCC3)cc1 ZINC000020856759 207216759 /nfs/dbraw/zinc/21/67/59/207216759.db2.gz JHZRCKVPHGYWEP-MRXNPFEDSA-N 0 1 377.488 4.492 10 0 GIAEMN O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F ZINC000077286529 208036355 /nfs/dbraw/zinc/03/63/55/208036355.db2.gz URVMQMKGIVIILI-UHFFFAOYSA-N 0 1 375.871 4.426 10 0 in-vitro GIAEMN CCOc1cc([C@H]2NCCc3cc(OCC)c(OCC)cc32)cc(Cl)c1O ZINC000019848100 208812418 /nfs/dbraw/zinc/81/24/18/208812418.db2.gz IFUQBAKVTWMUSZ-HXUWFJFHSA-N 0 1 391.895 4.477 10 0 GIAEMN COc1ccc([C@H](NCc2c[nH]nc2-c2ccc(F)cc2)c2ccncc2)cc1 ZINC000055393255 570694276 /nfs/dbraw/zinc/69/42/76/570694276.db2.gz UPIKTLMHOSREGH-QFIPXVFZSA-N 0 1 388.446 4.499 10 0 GIAEMN N=C1c2ccccc2CN1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000102131179 570841661 /nfs/dbraw/zinc/84/16/61/570841661.db2.gz DBUPNGJRABQFMY-UHFFFAOYSA-N 0 1 378.259 4.025 10 0 GIAEMN O=C(CN1CCC[C@@H]2CCCC[C@@H]21)c1ccc(I)cc1 ZINC000035037473 206381075 /nfs/dbraw/zinc/38/10/75/206381075.db2.gz HKFLZUTUOLRFMX-BBRMVZONSA-N 0 1 383.273 4.129 10 0 GIAEMN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2C(C)C)cc1OC ZINC000040340363 209093205 /nfs/dbraw/zinc/09/32/05/209093205.db2.gz QLXLYHUDHIAVCG-JOCHJYFZSA-N 0 1 391.471 4.356 10 0 GIAEMN O=c1c2cc(Cl)ccc2[nH]c(=S)n1Cc1cccc(Br)c1 ZINC000073659523 527462004 /nfs/dbraw/zinc/46/20/04/527462004.db2.gz CGAFWGYDUPPWCN-UHFFFAOYSA-N 0 1 381.682 4.149 10 0 GIAEMN O=C(CCCN1Cc2ccccc2C1)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000012758072 571007625 /nfs/dbraw/zinc/00/76/25/571007625.db2.gz XQXNZSUHSNDDHE-QFIPXVFZSA-N 0 1 381.495 4.025 10 0 GIAEMN OCCCN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000022041429 207246183 /nfs/dbraw/zinc/24/61/83/207246183.db2.gz NYABMDNSLNOWKJ-LJQANCHMSA-N 0 1 388.964 4.088 10 0 GIAEMN OCCCN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000022041432 207246288 /nfs/dbraw/zinc/24/62/88/207246288.db2.gz NYABMDNSLNOWKJ-IBGZPJMESA-N 0 1 388.964 4.088 10 0 GIAEMN CCc1ccc(-c2nc(CN3CCC[C@H](C(=O)NC4CCCC4)C3)c(C)o2)cc1 ZINC000005055914 570407237 /nfs/dbraw/zinc/40/72/37/570407237.db2.gz RLYCUNLMQFJSFJ-FQEVSTJZSA-N 0 1 395.547 4.483 10 0 GIAEMN CCc1n[nH]c(I)c1-c1cccc(Br)c1 ZINC000675075891 570910053 /nfs/dbraw/zinc/91/00/53/570910053.db2.gz GJCSERZNHFNPCC-UHFFFAOYSA-N 0 1 377.023 4.006 10 0 GIAEMN CCOC(=O)NC[C@@](CCN1CCOCC1)(c1cccc2ccccc21)C(C)C ZINC000031948839 206302848 /nfs/dbraw/zinc/30/28/48/206302848.db2.gz VPDIZKQRLLPWDC-XMMPIXPASA-N 0 1 398.547 4.202 10 0 GIAEMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2CCCOC)cc1 ZINC000015920595 207067425 /nfs/dbraw/zinc/06/74/25/207067425.db2.gz KWSKQNGJQGRNLE-QFIPXVFZSA-N 0 1 391.471 4.057 10 0 GIAEMN O[C@H]1CCCN(c2nc3cc(Cl)ccc3cc2CNCc2cccs2)C1 ZINC000020542911 207202277 /nfs/dbraw/zinc/20/22/77/207202277.db2.gz WKURTJIGCLZHGH-KRWDZBQOSA-N 0 1 387.936 4.201 10 0 GIAEMN CN(Cc1ccnc(Br)c1)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095075053 208151777 /nfs/dbraw/zinc/15/17/77/208151777.db2.gz MTCDTPPBNHFTCL-OAHLLOKOSA-N 0 1 398.345 4.066 10 0 GIAEMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000005056225 570407222 /nfs/dbraw/zinc/40/72/22/570407222.db2.gz SNARZCHYIMJFFD-MRXNPFEDSA-N 0 1 375.900 4.040 10 0 GIAEMN OCCCN1CCN([C@@H](c2cccc(Cl)c2)c2ccccc2Cl)CC1 ZINC000019370867 210246442 /nfs/dbraw/zinc/24/64/42/210246442.db2.gz YYRPFOIZMKFAON-FQEVSTJZSA-N 0 1 379.331 4.083 10 0 GIAEMN COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc4ccccc4n3)C2)c(OC)c1 ZINC000015063762 210144987 /nfs/dbraw/zinc/14/49/87/210144987.db2.gz MJIGMXBWLMCSQL-GOSISDBHSA-N 0 1 390.483 4.347 10 0 GIAEMN Cc1ccc2nc(SCC(=O)Nc3cccc(Br)c3)[nH]c2c1 ZINC000006506591 209653263 /nfs/dbraw/zinc/65/32/63/209653263.db2.gz VADTVHBIVLVCDY-UHFFFAOYSA-N 0 1 376.279 4.365 10 0 GIAEMN Cc1ccccc1-c1nnc2sc(C3=CCN(Cc4ccccc4)CC3)nn21 ZINC000226250579 209188125 /nfs/dbraw/zinc/18/81/25/209188125.db2.gz RNNCYAGKGFIPNH-UHFFFAOYSA-N 0 1 387.512 4.451 10 0 GIAEMN Cc1ccsc1C(C(=O)CC[N@H+]1CCC[C@H](C(=O)[O-])C1)c1sccc1C ZINC000077301640 212058642 /nfs/dbraw/zinc/05/86/42/212058642.db2.gz OEDNVFDJXRIEJE-HNNXBMFYSA-N 0 1 391.558 4.314 10 0 in-vitro GIAEMN CC[C@@H](c1[nH]nc2c1CN(Cc1nc(C)c(C)nc1C)CC2)c1ccccc1 ZINC000020866692 210364198 /nfs/dbraw/zinc/36/41/98/210364198.db2.gz QSDKWUGZOOCNSB-LJQANCHMSA-N 0 1 375.520 4.225 10 0 GIAEMN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[NH+]3CCCCC3)c2C(=O)[O-])C1 ZINC000020342392 210328469 /nfs/dbraw/zinc/32/84/69/210328469.db2.gz FIJBUCDRJFBJMK-CYBMUJFWSA-N 0 1 378.538 4.022 10 0 GIAEMN Cc1c([C@H](C)NCc2cccn2-c2ccccn2)cnn1-c1ccc(F)cc1F ZINC000012319940 570307644 /nfs/dbraw/zinc/30/76/44/570307644.db2.gz VJNQIIAIYZDYAH-HNNXBMFYSA-N 0 1 393.441 4.495 10 0 GIAEMN OCCCN1CCN([C@H](c2cccc(Cl)c2)c2ccccc2Cl)CC1 ZINC000019370864 210246838 /nfs/dbraw/zinc/24/68/38/210246838.db2.gz YYRPFOIZMKFAON-HXUWFJFHSA-N 0 1 379.331 4.083 10 0 GIAEMN CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3ccc(Cl)cc3)CC2)C1=O ZINC000014745030 210127940 /nfs/dbraw/zinc/12/79/40/210127940.db2.gz CIEPVZSIDZXFII-UHFFFAOYSA-N 0 1 391.943 4.005 10 0 GIAEMN CCOc1ccc(NC(=O)C2CCN(Cc3noc4ccccc34)CC2)cc1 ZINC000021664407 210389342 /nfs/dbraw/zinc/38/93/42/210389342.db2.gz DRESTGXXPJTYIW-UHFFFAOYSA-N 0 1 379.460 4.077 10 0 GIAEMN Cc1ccc(-c2nnc3sc(C4=CCN(Cc5ccccc5)CC4)nn32)cc1 ZINC000226250612 209187012 /nfs/dbraw/zinc/18/70/12/209187012.db2.gz RHMDMWLLRIGQOZ-UHFFFAOYSA-N 0 1 387.512 4.451 10 0 GIAEMN CN(Cc1ccnc(Br)c1)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095075054 211217630 /nfs/dbraw/zinc/21/76/30/211217630.db2.gz 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