smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146096 569098625 /nfs/dbraw/zinc/09/86/25/569098625.db2.gz PKJDHATUHDGHHG-YADHBBJMSA-N 0 1 418.484 3.746 10 0 HHAEMN CCc1nc(C)c(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)[nH]1 ZINC000011936523 559268784 /nfs/dbraw/zinc/26/87/84/559268784.db2.gz WANCHVMCJDZVCY-UHFFFAOYSA-N 0 1 410.497 3.706 10 0 HHAEMN [NH3+][C@@](CC(=O)[O-])(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 ZINC000087492920 559061896 /nfs/dbraw/zinc/06/18/96/559061896.db2.gz GGLWEWLKVRJLOD-XMMPIXPASA-N 0 1 405.425 3.810 10 0 HHAEMN CC(C)OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983696 560858929 /nfs/dbraw/zinc/85/89/29/560858929.db2.gz PKJDHATUHDGHHG-FGZHOGPDSA-N 0 1 418.484 3.746 10 0 HHAEMN O=C(NC1CCCCCCC1)[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)[nH]n2)C1 ZINC000096324733 568734254 /nfs/dbraw/zinc/73/42/54/568734254.db2.gz WLGWUMIYRZEFGS-GOSISDBHSA-N 0 1 409.534 3.553 10 0 HHAEMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000004104176 568942986 /nfs/dbraw/zinc/94/29/86/568942986.db2.gz SPWNOFAZCJQRGT-IBGZPJMESA-N 0 1 417.937 3.811 10 0 HHAEMN COc1cc2c(cc1OC)CN1CC[C@H](NC(=O)c3cc4ccccc4o3)C[C@@H]1C2 ZINC000002576159 568931576 /nfs/dbraw/zinc/93/15/76/568931576.db2.gz QTZLEYMNJDXQRD-OALUTQOASA-N 0 1 406.482 3.769 10 0 HHAEMN COc1cc2c(cc1OC)CN1CC[C@@H](NC(=O)c3cc4ccccc4o3)C[C@H]1C2 ZINC000000597789 569032832 /nfs/dbraw/zinc/03/28/32/569032832.db2.gz QTZLEYMNJDXQRD-RTBURBONSA-N 0 1 406.482 3.769 10 0 HHAEMN CCN1CCN(c2cc(C)c3cc(NC(=O)c4cccc(OC)c4)ccc3n2)CC1 ZINC000020108602 535742704 /nfs/dbraw/zinc/74/27/04/535742704.db2.gz AJCFZDQVABFEFL-UHFFFAOYSA-N 0 1 404.514 3.946 10 0 HHAEMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240435 559056258 /nfs/dbraw/zinc/05/62/58/559056258.db2.gz GAXUJNLBAGSCAX-KRWDZBQOSA-N 0 1 408.498 3.806 10 0 HHAEMN CC[C@@H](C)N1CCc2c(c(C(=O)NCc3ccccn3)nn2CCc2ccccc2)C1 ZINC000014733263 962563370 /nfs/dbraw/zinc/56/33/70/962563370.db2.gz OVYYARXZPMBPKT-LJQANCHMSA-N 0 1 417.557 3.607 10 0 HHAEMN O=C(c1ccoc1)N1CCC[C@@H](COc2ccc(CN3CCSCC3)cc2)C1 ZINC000299761105 568873418 /nfs/dbraw/zinc/87/34/18/568873418.db2.gz RHCVNJSQGNAUAT-LJQANCHMSA-N 0 1 400.544 3.760 10 0 HHAEMN COc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3F)[nH]n2)C1 ZINC000011664118 558267537 /nfs/dbraw/zinc/26/75/37/558267537.db2.gz BOEWBOUQRYKJBM-HNNXBMFYSA-N 0 1 407.445 3.960 10 0 HHAEMN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725240829 559067739 /nfs/dbraw/zinc/06/77/39/559067739.db2.gz HCXVHKSZDAUBHL-UHFFFAOYSA-N 0 1 420.509 3.853 10 0 HHAEMN CCn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)c(C)n1 ZINC000015074709 568749266 /nfs/dbraw/zinc/74/92/66/568749266.db2.gz UGPZXDSNQPTUMT-UHFFFAOYSA-N 0 1 406.534 3.806 10 0 HHAEMN CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccccc2C)C[C@H]1C ZINC000004732403 568933503 /nfs/dbraw/zinc/93/35/03/568933503.db2.gz MWEZJKYHIGJAEN-GFCCVEGCSA-N 0 1 423.332 3.856 10 0 HHAEMN COc1cccc(N2C[C@@H]3C[C@@H](c4ccc5nsnc5c4)N4CCC[C@@]34C2=O)c1 ZINC000012719110 558456373 /nfs/dbraw/zinc/45/63/73/558456373.db2.gz YLSJXYKJYMFOOI-LVWPNOBMSA-N 0 1 406.511 3.642 10 0 HHAEMN CC(C)Nc1n[n-]cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1=O ZINC000085347788 559056609 /nfs/dbraw/zinc/05/66/09/559056609.db2.gz IYVRPMGQWZOBHM-UHFFFAOYSA-N 0 1 403.530 3.914 10 0 HHAEMN CCOc1cc(CNCc2ccccc2OC)ccc1OCC(=O)NC(C)(C)C ZINC000013720495 558581711 /nfs/dbraw/zinc/58/17/11/558581711.db2.gz BPXRRMZXOPEXAJ-UHFFFAOYSA-N 0 1 400.519 3.677 10 0 HHAEMN CCSCCNC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)[nH]n2)cc1 ZINC000023318180 559117694 /nfs/dbraw/zinc/11/76/94/559117694.db2.gz SDEASQPXFWOAHE-UHFFFAOYSA-N 0 1 409.511 3.998 10 0 HHAEMN COc1cc2c(cc1OC)CN1CC[C@@H](NC(=O)c3cc4ccccc4o3)C[C@@H]1C2 ZINC000000587411 569032880 /nfs/dbraw/zinc/03/28/80/569032880.db2.gz QTZLEYMNJDXQRD-MOPGFXCFSA-N 0 1 406.482 3.769 10 0 HHAEMN CC(C)OC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146396 569098796 /nfs/dbraw/zinc/09/87/96/569098796.db2.gz NRYWEGALZJQLJM-YADHBBJMSA-N 0 1 418.484 3.746 10 0 HHAEMN CCOc1c(CNCCSc2nnnn2-c2ccccc2)cc(Cl)cc1OC ZINC000010475406 558258237 /nfs/dbraw/zinc/25/82/37/558258237.db2.gz JUCKPYDXUCHDER-UHFFFAOYSA-N 0 1 419.938 3.605 10 0 HHAEMN CC(C)OC[C@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983968 560858932 /nfs/dbraw/zinc/85/89/32/560858932.db2.gz NRYWEGALZJQLJM-FGZHOGPDSA-N 0 1 418.484 3.746 10 0 HHAEMN CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccc(C)cc2)C[C@@H]1C ZINC000006116609 569027355 /nfs/dbraw/zinc/02/73/55/569027355.db2.gz ARONEJWCSGMORC-LBPRGKRZSA-N 0 1 423.332 3.856 10 0 HHAEMN COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000000598353 536933728 /nfs/dbraw/zinc/93/37/28/536933728.db2.gz TZZGTNZBLPCBIS-UHFFFAOYSA-N 0 1 413.949 3.840 10 0 investigational HHAEMN CCN1CCN(c2nc(-c3ccccc3)ncc2C(=O)Nc2ccc(OC)cc2)CC1 ZINC000034922064 557484092 /nfs/dbraw/zinc/48/40/92/557484092.db2.gz NAIQWOFLFWGFMM-UHFFFAOYSA-N 0 1 417.513 3.546 10 0 HHAEMN c1ccc(-c2noc(CN3CCC[C@@H](N4CCN(c5ccccc5)CC4)C3)n2)cc1 ZINC000023373647 558553709 /nfs/dbraw/zinc/55/37/09/558553709.db2.gz PIVNOJWEISDHME-JOCHJYFZSA-N 0 1 403.530 3.523 10 0 HHAEMN CCN1CCN([C@@H](c2ccccc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000038545792 559257454 /nfs/dbraw/zinc/25/74/54/559257454.db2.gz ZVAZEZCRNFJFOS-VWLOTQADSA-N 0 1 417.553 3.638 10 0 HHAEMN CCN1CCN([C@H](c2ccccc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000038545793 559257463 /nfs/dbraw/zinc/25/74/63/559257463.db2.gz ZVAZEZCRNFJFOS-RUZDIDTESA-N 0 1 417.553 3.638 10 0 HHAEMN CC[C@H](C)[C@@H](NC[C@H](O)Cc1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000036154979 571317323 /nfs/dbraw/zinc/31/73/23/571317323.db2.gz HERUNISOUDSBQU-RRMPHLOHSA-N 0 1 409.486 3.746 10 0 HHAEMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240436 559056212 /nfs/dbraw/zinc/05/62/12/559056212.db2.gz GAXUJNLBAGSCAX-QGZVFWFLSA-N 0 1 408.498 3.806 10 0 HHAEMN O=C(c1ccoc1)N1CCC[C@H](COc2ccc(CN3CCSCC3)cc2)C1 ZINC000299761103 568873326 /nfs/dbraw/zinc/87/33/26/568873326.db2.gz RHCVNJSQGNAUAT-IBGZPJMESA-N 0 1 400.544 3.760 10 0 HHAEMN CCC(=O)N1CCCc2cc(S(=O)(=O)Nc3cc(Cl)ccc3OC)ccc21 ZINC000005005735 132298226 /nfs/dbraw/zinc/29/82/26/132298226.db2.gz ZDCCKAYRJBTWAQ-UHFFFAOYSA-N 0 1 408.907 3.839 10 0 HHAEMN CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(C)cc3C)c21 ZINC000002928113 568726745 /nfs/dbraw/zinc/72/67/45/568726745.db2.gz IRDATBHTSVQIBR-UHFFFAOYSA-N 0 1 423.332 3.776 10 0 HHAEMN CC(C)CN1CCN(C(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000065153752 569187637 /nfs/dbraw/zinc/18/76/37/569187637.db2.gz QWZKGWWSXNCUAV-UHFFFAOYSA-N 0 1 401.514 3.619 10 0 HHAEMN S=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCc2ccccc21)Nc1ccccc1 ZINC000008623257 291260287 /nfs/dbraw/zinc/26/02/87/291260287.db2.gz IWUNHCQYRXSHDE-TUNNFDKTSA-N 0 1 406.599 3.746 10 0 HHAEMN COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3F)[nH]n2)C1 ZINC000011664117 558267601 /nfs/dbraw/zinc/26/76/01/558267601.db2.gz BOEWBOUQRYKJBM-OAHLLOKOSA-N 0 1 407.445 3.960 10 0 HHAEMN C[N@@H+](CCC(=O)[O-])C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240391 559056021 /nfs/dbraw/zinc/05/60/21/559056021.db2.gz BIVPHXPIQHBHGX-UHFFFAOYSA-N 0 1 408.498 3.806 10 0 HHAEMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240397 559056090 /nfs/dbraw/zinc/05/60/90/559056090.db2.gz BNVOTACJSCYZKK-UHFFFAOYSA-N 0 1 408.498 3.806 10 0 HHAEMN CC(=O)Nc1ccc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCCN24)s1 ZINC000011947135 559269076 /nfs/dbraw/zinc/26/90/76/559269076.db2.gz ZVTFIUAGDFBTFN-WXVUKLJWSA-N 0 1 421.566 3.612 10 0 HHAEMN COc1cc2c(cc1OC)CN1CC[C@H](NC(=O)c3cc4ccccc4o3)C[C@H]1C2 ZINC000003795292 569009756 /nfs/dbraw/zinc/00/97/56/569009756.db2.gz QTZLEYMNJDXQRD-RBUKOAKNSA-N 0 1 406.482 3.769 10 0 HHAEMN CC[C@H](C)[C@@H](NC[C@@H](O)Cc1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000169679827 571315572 /nfs/dbraw/zinc/31/55/72/571315572.db2.gz HERUNISOUDSBQU-UQASEVPWSA-N 0 1 409.486 3.746 10 0 HHAEMN COc1ccc(OC)c2nc(N3CCOCC3)c(CNCc3cccc(F)c3)cc12 ZINC000012219242 132356886 /nfs/dbraw/zinc/35/68/86/132356886.db2.gz JNKHXYKVDCLJLV-UHFFFAOYSA-N 0 1 411.477 3.518 10 0 HHAEMN CN(C)S(=O)(=O)c1ccc2c(c1)N([C@@H]1CN3CCC1CC3)c1ccccc1S2 ZINC000004214243 536114783 /nfs/dbraw/zinc/11/47/83/536114783.db2.gz HTHHBTMNLHMBHQ-LJQANCHMSA-N 0 1 415.584 3.634 10 0 in-man HHAEMN [NH3+][C@](CC(=O)[O-])(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 ZINC000087492921 559062008 /nfs/dbraw/zinc/06/20/08/559062008.db2.gz GGLWEWLKVRJLOD-DEOSSOPVSA-N 0 1 405.425 3.810 10 0 HHAEMN COCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000034682971 571313608 /nfs/dbraw/zinc/31/36/08/571313608.db2.gz HXBDCMPVCZCAJR-UHFFFAOYSA-N 0 1 412.530 3.656 10 0 HHAEMN Cc1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000096324679 568734335 /nfs/dbraw/zinc/73/43/35/568734335.db2.gz FDZDWUUQQCJHGX-UHFFFAOYSA-N 0 1 423.904 3.924 10 0 HHAEMN O=C(NCCc1n[nH]c(Cc2cccc(Cl)c2)n1)c1ccccc1Br ZINC000064969444 569137998 /nfs/dbraw/zinc/13/79/98/569137998.db2.gz CUURJRPSYNEOMK-UHFFFAOYSA-N 0 1 419.710 3.784 10 0 HHAEMN CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3cc(C)cc(C)c3)c21 ZINC000008659807 569211673 /nfs/dbraw/zinc/21/16/73/569211673.db2.gz LKDZVDYQLMZLDX-UHFFFAOYSA-N 0 1 423.332 3.776 10 0 HHAEMN CCN1CCN(c2cc(C)c3cc(NC(=S)NCc4ccco4)ccc3n2)CC1 ZINC000020153540 521696891 /nfs/dbraw/zinc/69/68/91/521696891.db2.gz GTBDKKJYCQULSU-UHFFFAOYSA-N 0 1 409.559 3.765 10 0 HHAEMN CC(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983971 560858963 /nfs/dbraw/zinc/85/89/63/560858963.db2.gz NRYWEGALZJQLJM-FCHUYYIVSA-N 0 1 418.484 3.746 10 0 HHAEMN CCC[C@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340262 569141463 /nfs/dbraw/zinc/14/14/63/569141463.db2.gz WRHLFEKLMSWGJE-FQEVSTJZSA-N 0 1 402.970 3.621 10 0 HHAEMN COC(=O)c1ccccc1-c1ccc(CN2CCC[C@H](c3n[nH]cc3C(N)=O)C2)o1 ZINC000328602514 569416423 /nfs/dbraw/zinc/41/64/23/569416423.db2.gz BWPHRCXJHZVDQE-AWEZNQCLSA-N 0 1 408.458 3.719 10 0 HHAEMN CC(C)OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983700 560858947 /nfs/dbraw/zinc/85/89/47/560858947.db2.gz PKJDHATUHDGHHG-FCHUYYIVSA-N 0 1 418.484 3.746 10 0 HHAEMN O=C(NCc1ccccc1Cl)c1ccc(CN2CCc3ccccc3C2)[nH]c1=O ZINC000014983698 568696720 /nfs/dbraw/zinc/69/67/20/568696720.db2.gz UAADKSROWSEJJV-UHFFFAOYSA-N 0 1 407.901 3.517 10 0 HHAEMN CC(C)OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146098 569098664 /nfs/dbraw/zinc/09/86/64/569098664.db2.gz PKJDHATUHDGHHG-VXKWHMMOSA-N 0 1 418.484 3.746 10 0 HHAEMN COc1cccc(N2C[C@@H]3C[C@@H](c4ccc(NC(C)=O)s4)N4CCC[C@@]34C2=O)c1 ZINC000012226054 560894221 /nfs/dbraw/zinc/89/42/21/560894221.db2.gz UNLJYCFWMXQJOK-VPKVUBIPSA-N 0 1 411.527 3.658 10 0 HHAEMN COC(=O)c1ccccc1-c1ccc(CN2CCC[C@@H](c3n[nH]cc3C(N)=O)C2)o1 ZINC000328602515 569416577 /nfs/dbraw/zinc/41/65/77/569416577.db2.gz BWPHRCXJHZVDQE-CQSZACIVSA-N 0 1 408.458 3.719 10 0 HHAEMN CC[C@H](C)[C@H](NC[C@H](O)Cc1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000036154974 571317335 /nfs/dbraw/zinc/31/73/35/571317335.db2.gz HERUNISOUDSBQU-KLHJMIIUSA-N 0 1 409.486 3.746 10 0 HHAEMN CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(C/C=C/c1ccco1)CC2 ZINC000014732013 962563600 /nfs/dbraw/zinc/56/36/00/962563600.db2.gz YJGKBFGSZKPEAG-VMPITWQZSA-N 0 1 422.529 3.643 10 0 HHAEMN CCN(Cc1ccoc1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1 ZINC000034836504 558784719 /nfs/dbraw/zinc/78/47/19/558784719.db2.gz XPONWUWLZJLMGU-UHFFFAOYSA-N 0 1 411.525 3.687 10 0 HHAEMN CCOc1cccc(CN2CCC(OCC)(c3nc([C@H]4CCCO4)no3)CC2)c1 ZINC000225839720 568782950 /nfs/dbraw/zinc/78/29/50/568782950.db2.gz OJKMVBQBWPGYKH-LJQANCHMSA-N 0 1 401.507 3.848 10 0 HHAEMN CC(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146397 569098834 /nfs/dbraw/zinc/09/88/34/569098834.db2.gz NRYWEGALZJQLJM-VXKWHMMOSA-N 0 1 418.484 3.746 10 0 HHAEMN CCc1nc(C)c(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)[nH]1 ZINC000015070303 962647777 /nfs/dbraw/zinc/64/77/77/962647777.db2.gz WRWHYLSCDMVWLQ-UHFFFAOYSA-N 0 1 422.533 3.575 10 0 HHAEMN COc1cc(CN2CCC3(CCC(=O)N3OC)CC2)ccc1OCc1ccccc1 ZINC000072156074 558543847 /nfs/dbraw/zinc/54/38/47/558543847.db2.gz OYVPBJUFNSFVQR-UHFFFAOYSA-N 0 1 410.514 3.793 10 0 HHAEMN Cc1c(C)c(C)c(S(=O)(=O)Nc2ncn(Cc3cccc(F)c3)n2)c(C)c1C ZINC000014251482 558650102 /nfs/dbraw/zinc/65/01/02/558650102.db2.gz HPYNDUHZNQUXTK-UHFFFAOYSA-N 0 1 402.495 3.808 10 0 HHAEMN O=C(NC1CCCCCCC1)[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)[nH]n2)C1 ZINC000096324732 568734310 /nfs/dbraw/zinc/73/43/10/568734310.db2.gz WLGWUMIYRZEFGS-SFHVURJKSA-N 0 1 409.534 3.553 10 0 HHAEMN CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccccc2C)C[C@@H]1C ZINC000004732407 568933592 /nfs/dbraw/zinc/93/35/92/568933592.db2.gz MWEZJKYHIGJAEN-LBPRGKRZSA-N 0 1 423.332 3.856 10 0 HHAEMN CCOc1ccccc1C=C1C(=O)NC(=O)N1C=C1C(=O)Oc2ccccc2C1=O ZINC000048553136 569358769 /nfs/dbraw/zinc/35/87/69/569358769.db2.gz XZAFZCCQOKBTGJ-QKMJZAKKSA-N 0 1 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ZINC000004104178 568942992 /nfs/dbraw/zinc/94/29/92/568942992.db2.gz SPWNOFAZCJQRGT-LJQANCHMSA-N 0 1 417.937 3.811 10 0 HHAEMN CCOC1(c2nc([C@H]3CCCO3)no2)CCN(CCOc2cccc(C)c2)CC1 ZINC000583615980 560776398 /nfs/dbraw/zinc/77/63/98/560776398.db2.gz ZIYKYFJMWIZXAQ-LJQANCHMSA-N 0 1 401.507 3.636 10 0 HHAEMN CCC[C@@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340263 569141719 /nfs/dbraw/zinc/14/17/19/569141719.db2.gz WRHLFEKLMSWGJE-HXUWFJFHSA-N 0 1 402.970 3.621 10 0 HHAEMN Cc1nc(-c2cccs2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3COC(=O)NC(C)C)n1 ZINC000008623422 291257723 /nfs/dbraw/zinc/25/77/23/291257723.db2.gz HBHFRNVZMKECLU-BBWFWOEESA-N 0 1 400.548 3.826 10 0 biogenic HHAEMN Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3COC(=O)NC(C)C)n1 ZINC000008623422 291257727 /nfs/dbraw/zinc/25/77/27/291257727.db2.gz HBHFRNVZMKECLU-BBWFWOEESA-N 0 1 400.548 3.826 10 0 biogenic HHAEMN NC(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)c2cccc(OCc3cccs3)c2)C1 ZINC000328604659 569417659 /nfs/dbraw/zinc/41/76/59/569417659.db2.gz KSUWGZUTPITPPZ-OAHLLOKOSA-N 0 1 410.499 3.953 10 0 HHAEMN O=C(c1csc(S(=O)(=O)Nc2ccc(Cl)cc2F)c1)N1CCCCC1 ZINC000045961655 526907304 /nfs/dbraw/zinc/90/73/04/526907304.db2.gz QGBNILGCUMYMBG-UHFFFAOYSA-N 0 1 402.900 3.968 10 0 HHAEMN Cc1ccccc1N1CCN(Cc2ccc(C(=O)NCc3cccnc3)cc2)CC1 ZINC000034684147 557386975 /nfs/dbraw/zinc/38/69/75/557386975.db2.gz DLGFWYKJFUFMJW-UHFFFAOYSA-N 0 1 400.526 3.642 10 0 HHAEMN c1ccc(-c2noc(CN3CCC[C@H](N4CCN(c5ccccc5)CC4)C3)n2)cc1 ZINC000023373649 558553600 /nfs/dbraw/zinc/55/36/00/558553600.db2.gz PIVNOJWEISDHME-QFIPXVFZSA-N 0 1 403.530 3.523 10 0 HHAEMN CCCNc1n[n-]cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1=O ZINC000085347790 559056640 /nfs/dbraw/zinc/05/66/40/559056640.db2.gz DEYCWTZSEDUSAP-UHFFFAOYSA-N 0 1 403.530 3.916 10 0 HHAEMN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])C1 ZINC000004920430 559205024 /nfs/dbraw/zinc/20/50/24/559205024.db2.gz DAVMKGLKUVOJFI-OKILXGFUSA-N 0 1 405.926 3.546 10 0 HHAEMN CCc1ccccc1NC(=O)C1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096324566 568676094 /nfs/dbraw/zinc/67/60/94/568676094.db2.gz PQJLSKGCUWVGSY-UHFFFAOYSA-N 0 1 403.486 3.525 10 0 HHAEMN CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC000006116607 569027319 /nfs/dbraw/zinc/02/73/19/569027319.db2.gz ARONEJWCSGMORC-GFCCVEGCSA-N 0 1 423.332 3.856 10 0 HHAEMN