smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(Cc3cnc[nH]3)C2=O)c1 ZINC000003783509 562927957 /nfs/dbraw/zinc/92/79/57/562927957.db2.gz SYNRPHGHCPARDX-RUZDIDTESA-N 0 1 464.529 4.250 1 0 JIAFMN Cc1ccc(O[C@@H]2C[C@H](n3cnc4c3nc(Br)[nH]c4=O)O[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000005542595 562934120 /nfs/dbraw/zinc/93/41/20/562934120.db2.gz DKZYPYLJPMBYPP-HMFYCAOWSA-N 0 1 497.349 4.271 1 0 JIAFMN O=C(Nc1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000006745739 562938426 /nfs/dbraw/zinc/93/84/26/562938426.db2.gz QTXMZYJUSISXGH-VWLOTQADSA-N 0 1 461.587 4.435 1 0 JIAFMN O=c1ccc(-n2cnc3ccccc32)nn1CCCCCN1CCN(c2ccccc2Cl)CC1 ZINC000013475436 562966965 /nfs/dbraw/zinc/96/69/65/562966965.db2.gz IABRLDFASHDXTK-UHFFFAOYSA-N 0 1 477.012 4.228 1 0 JIAFMN COc1ccccc1N1CCN(CCCCC(=O)N[C@H]2CCCc3cccc(OC)c32)CC1 ZINC000013586526 562976580 /nfs/dbraw/zinc/97/65/80/562976580.db2.gz BUMLEIQSRWKWTF-QFIPXVFZSA-N 0 1 451.611 4.190 1 0 JIAFMN C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc([N-]S(=O)(=O)c3ccc(I)cc3)cc12 ZINC000013607572 562978957 /nfs/dbraw/zinc/97/89/57/562978957.db2.gz AEMDBHPCLNORNP-QGZVFWFLSA-N 0 1 495.386 4.210 1 0 JIAFMN C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc([N-]S(=O)(=O)c3ccc(I)cc3)cc12 ZINC000013607572 562978958 /nfs/dbraw/zinc/97/89/58/562978958.db2.gz AEMDBHPCLNORNP-QGZVFWFLSA-N 0 1 495.386 4.210 1 0 JIAFMN Cc1cc(OCc2ccccc2)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)NCCCc1ccccc1 ZINC000013735522 562985831 /nfs/dbraw/zinc/98/58/31/562985831.db2.gz HHZRNSOFHQWYGW-LXFBAYGMSA-N 0 1 487.644 4.006 1 0 JIAFMN O=C([O-])c1c(NS(=O)(=O)c2ccccc2NC(=O)CCC[NH+]2CCCCC2)ccc2c1CCCC2 ZINC000014964686 563008823 /nfs/dbraw/zinc/00/88/23/563008823.db2.gz QHPCTGHAHJBCFJ-UHFFFAOYSA-N 0 1 499.633 4.269 1 0 JIAFMN O=C1NCCN1CCCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000026667172 563033020 /nfs/dbraw/zinc/03/30/20/563033020.db2.gz VAEVQHTXJSLDAA-VWNXMTODSA-N 0 1 456.993 4.089 1 0 JIAFMN COc1ccc(NC(=O)c2ccc(-c3ccc(C4=N[C@H](C)ON4)cc3C)cc2)cc1N1CCN(C)CC1 ZINC000027315795 563042653 /nfs/dbraw/zinc/04/26/53/563042653.db2.gz IZWVNIOBAHBJRE-FQEVSTJZSA-N 0 1 499.615 4.302 1 0 JIAFMN O=c1[n-]c(C[NH2+][C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)n[nH]1 ZINC000027642953 563048203 /nfs/dbraw/zinc/04/82/03/563048203.db2.gz STQPZMKBIAWKGK-MRXNPFEDSA-N 0 1 460.378 4.183 1 0 JIAFMN Cc1ccc(-c2cc(CN(Cc3cccc(Br)c3)[C@H](Cc3cnc[nH]3)C(N)=O)no2)cc1 ZINC000029564318 563107245 /nfs/dbraw/zinc/10/72/45/563107245.db2.gz RHOCCTRFYJKHBH-JOCHJYFZSA-N 0 1 494.393 4.234 1 0 JIAFMN COc1c(-c2ccc3c(c2)CC[N@H+](C)C3)c(F)cc2c(=O)c3c([O-])nsc3n(C3CC3)c21 ZINC000035090255 563119098 /nfs/dbraw/zinc/11/90/98/563119098.db2.gz OQTCJBUBSYOLNB-UHFFFAOYSA-N 0 1 451.523 4.454 1 0 JIAFMN C[NH+](C)CCNC(=O)c1ccc([O-])c(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000035323280 563120077 /nfs/dbraw/zinc/12/00/77/563120077.db2.gz SYDMGMUJOKSGPN-UHFFFAOYSA-N 0 1 491.632 4.169 1 0 JIAFMN O=c1nc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2n1CC(F)(F)F ZINC000036126655 563122534 /nfs/dbraw/zinc/12/25/34/563122534.db2.gz AIVCREQIHBXHNV-UHFFFAOYSA-N 0 1 494.901 4.417 1 0 JIAFMN S=C(NCCCc1cnc[nH]1)NCCCN(Cc1ccccc1)c1ccc(Br)cn1 ZINC000036382094 563127815 /nfs/dbraw/zinc/12/78/15/563127815.db2.gz JSFKWPGDWYVELH-UHFFFAOYSA-N 0 1 487.471 4.061 3 0 JIAFMN Cn1c2cccc(N3CCN(CCOc4cccc5[nH]c(=S)[nH]c54)CC3)c2nc1C(F)(F)F ZINC000040846139 563149293 /nfs/dbraw/zinc/14/92/93/563149293.db2.gz BAGWMFYSLXDFTB-UHFFFAOYSA-N 0 1 476.528 4.332 1 0 JIAFMN O=c1cc(-c2ccccc2)c2ccc(OC[C@H](O)CN3CCN(c4ccccc4)CC3)cc2o1 ZINC000040918200 563156059 /nfs/dbraw/zinc/15/60/59/563156059.db2.gz WMIUFZFZPDMQDX-HSZRJFAPSA-N 0 1 456.542 4.022 1 0 JIAFMN COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cccc(F)c4N4CC[C@@H](c5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000008694614 569593357 /nfs/dbraw/zinc/59/33/57/569593357.db2.gz YNACSKIDWWWLQS-OLIZHGJZSA-N 0 1 499.542 4.412 2 0 JIAFMN COc1ccc(NC(=O)N2CCC(c3c[nH]c4cccc(F)c43)CC2)cc1N1CCN(C)CC1 ZINC000000587810 562918060 /nfs/dbraw/zinc/91/80/60/562918060.db2.gz GFTOBRDTIUVBRH-UHFFFAOYSA-N 0 1 465.573 4.479 1 0 JIAFMN CCOc1ccc(OC[C@@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 ZINC000003440194 562927111 /nfs/dbraw/zinc/92/71/11/562927111.db2.gz UOKIJOWYTBNPIM-NRFANRHFSA-N 0 1 458.002 4.472 1 0 JIAFMN O=C([O-])C[C@@H]1CCC(=O)N(CC(=O)NCc2ccc(Nc3[nH]c4ccccc4[nH+]3)cc2)c2ccccc21 ZINC000013478045 562967288 /nfs/dbraw/zinc/96/72/88/562967288.db2.gz WOXAQXBQXVXPHE-IBGZPJMESA-N 0 1 497.555 4.308 1 0 JIAFMN CCOC(=O)[C@H](CCSC)NC(=O)c1ccc(CNCc2c[nH]cn2)cc1-c1ccccc1C ZINC000013533224 562972366 /nfs/dbraw/zinc/97/23/66/562972366.db2.gz WIQOFQRWRAGRSV-DEOSSOPVSA-N 0 1 480.634 4.090 1 0 JIAFMN O=C1N(CCCCN2CCN(c3nsc4ccccc43)CC2)CSC12Cc1ccccc1C2 ZINC000013759395 562989265 /nfs/dbraw/zinc/98/92/65/562989265.db2.gz KNKQFICBNCXQPO-UHFFFAOYSA-N 0 1 478.687 4.269 1 0 JIAFMN CCCN(C)C(=O)C[N@H+]1C[C@H](c2cccc3occc32)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013760910 562989697 /nfs/dbraw/zinc/98/96/97/562989697.db2.gz NWGVCPRJDLEQBY-SDUSCBPUSA-N 0 1 450.535 4.151 1 0 JIAFMN COC(=O)C[C@H](CCc1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1cccc(C(N)=[NH2+])c1 ZINC000013776598 562990972 /nfs/dbraw/zinc/99/09/72/562990972.db2.gz GKIMFPDOQSVZBN-FQEVSTJZSA-N 0 1 465.575 4.051 1 0 JIAFMN CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCN(C(C)(C)C)CC1)c1cc(Cl)ccc1-2 ZINC000013796102 562993171 /nfs/dbraw/zinc/99/31/71/562993171.db2.gz FVGHCTYXEODIFY-UHFFFAOYSA-N 0 1 474.005 4.337 1 0 JIAFMN Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1-n1cccn1 ZINC000013797318 562993302 /nfs/dbraw/zinc/99/33/02/562993302.db2.gz VTOWCNHGZNRYSU-UHFFFAOYSA-N 0 1 459.928 4.102 1 0 JIAFMN O=C(c1ccc(F)cc1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000013819803 562997229 /nfs/dbraw/zinc/99/72/29/562997229.db2.gz JFQVHBZRRZBJFS-HSZRJFAPSA-N 0 1 483.609 4.445 1 0 JIAFMN O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000022448619 563017093 /nfs/dbraw/zinc/01/70/93/563017093.db2.gz FLEXENSQDQMATB-AREMUKBSSA-N 0 1 458.602 4.060 1 0 JIAFMN O[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022925298 563017493 /nfs/dbraw/zinc/01/74/93/563017493.db2.gz GJDQYWYMCFMZIM-HHHXNRCGSA-N 0 1 466.572 4.292 1 0 JIAFMN O[C@@H](COc1ccnc2ccccc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022934059 563018641 /nfs/dbraw/zinc/01/86/41/563018641.db2.gz AJMXTJYRMRUQNS-RUZDIDTESA-N 0 1 453.586 4.382 1 0 JIAFMN Cc1ccc(-c2cc(CN(Cc3cccc(Br)c3)[C@@H](Cc3cnc[nH]3)C(N)=O)no2)cc1 ZINC000029564314 563107260 /nfs/dbraw/zinc/10/72/60/563107260.db2.gz RHOCCTRFYJKHBH-QFIPXVFZSA-N 0 1 494.393 4.234 1 0 JIAFMN Cc1onc2c1c(-c1cccs1)nn(CCCN1CCN(c3cccc(Cl)c3)CC1)c2=O ZINC000035080190 563119053 /nfs/dbraw/zinc/11/90/53/563119053.db2.gz BGTCESYXGIIHMP-UHFFFAOYSA-N 0 1 469.998 4.287 1 0 JIAFMN CCc1nc(N)nc(NCC(C)C)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000036349124 563126510 /nfs/dbraw/zinc/12/65/10/563126510.db2.gz DBRMYPICDAFVBO-UHFFFAOYSA-N 0 1 453.612 4.372 1 0 JIAFMN CC(=O)N1CC[C@@H](N(C)c2nc3ccc(NC(=O)CCc4ccc(C(F)(F)F)cc4)cc3[nH]2)C1 ZINC000040430115 563143553 /nfs/dbraw/zinc/14/35/53/563143553.db2.gz LGEVUDUJGOEUQL-LJQANCHMSA-N 0 1 473.499 4.210 1 0 JIAFMN CC(=O)N1CC[C@H](N(C)c2nc3ccc(NC(=O)CCc4ccc(C(F)(F)F)cc4)cc3[nH]2)C1 ZINC000040430113 563143567 /nfs/dbraw/zinc/14/35/67/563143567.db2.gz LGEVUDUJGOEUQL-IBGZPJMESA-N 0 1 473.499 4.210 1 0 JIAFMN CN1CCN(CCOc2ccc(-c3cnc4c(-c5ccnc6ccccc65)cnn4c3)cc2)CC1 ZINC000040892764 563153449 /nfs/dbraw/zinc/15/34/49/563153449.db2.gz BFUOPMIITSRNOV-UHFFFAOYSA-N 0 1 464.573 4.238 1 0 JIAFMN CN(CCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1)CC(=O)Nc1ccc(Cc2ccccc2)cc1 ZINC000040933981 563157082 /nfs/dbraw/zinc/15/70/82/563157082.db2.gz PLNQSHWKKCYNGP-UHFFFAOYSA-N 0 1 459.590 4.368 1 0 JIAFMN CN1CCN(c2ccc3[nH]c(-c4c(N)c5cc(NCc6ccccc6)ccc5[nH]c4=O)nc3c2)CC1 ZINC000040955796 563160866 /nfs/dbraw/zinc/16/08/66/563160866.db2.gz PWPWTOPEJWNZOA-UHFFFAOYSA-N 0 1 479.588 4.018 1 0 JIAFMN O=C1CC[C@](c2ccc(F)cc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 ZINC000040957721 563161161 /nfs/dbraw/zinc/16/11/61/563161161.db2.gz BUEUGBNZNPHBIF-QHCPKHFHSA-N 0 1 459.359 4.175 1 0 JIAFMN O=C1C[C@H](c2ccccc2C(F)(F)F)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000042888305 563163377 /nfs/dbraw/zinc/16/33/77/563163377.db2.gz FIYHUIJHAVEJNN-HXUWFJFHSA-N 0 1 479.930 4.414 1 0 JIAFMN O=C1[N-]C(=S)NC1=Cc1cn(CCCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc12 ZINC000043060839 563165723 /nfs/dbraw/zinc/16/57/23/563165723.db2.gz VNTAYOALAPMBDG-CLCOLTQESA-N 0 1 473.646 4.390 1 0 JIAFMN Cc1cc(N[C@@H](CC(C)C)C(=O)NCCOc2ccccc2)nc(NCCOc2ccccc2)n1 ZINC000045196352 563177977 /nfs/dbraw/zinc/17/79/77/563177977.db2.gz XEZZHYVOBKIFAP-DEOSSOPVSA-N 0 1 477.609 4.298 1 0 JIAFMN CC(C)Oc1ccccc1N1CCN(C2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000052988015 563204915 /nfs/dbraw/zinc/20/49/15/563204915.db2.gz IMBDRGLQGCAYLF-UHFFFAOYSA-N 0 1 475.630 4.025 1 0 JIAFMN CC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccc(N5CCN(C)CC5)cc4)cn23)c1 ZINC000061904987 563210229 /nfs/dbraw/zinc/21/02/29/563210229.db2.gz AYRCUWMQATXMRB-UHFFFAOYSA-N 0 1 453.546 4.191 3 0 JIAFMN O=C1N=C2SC=C(NC(=S)Nc3ccccc3)N2NC12c1ccccc1-c1ccccc12 ZINC000001636698 562922009 /nfs/dbraw/zinc/92/20/09/562922009.db2.gz XHXGHDSOXSSWPR-UHFFFAOYSA-N 0 1 455.568 4.146 1 0 JIAFMN CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000004732508 562933606 /nfs/dbraw/zinc/93/36/06/562933606.db2.gz OVYKXXDVCLBLAQ-JTQLQIEISA-N 0 1 493.301 4.446 1 0 JIAFMN COc1ccccc1-c1ccnc(-n2ncc(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)c2C)n1 ZINC000011787291 562957653 /nfs/dbraw/zinc/95/76/53/562957653.db2.gz WTCXMPNRPYBJOR-QFIPXVFZSA-N 0 1 482.588 4.041 1 0 JIAFMN Nc1cc(C(F)(F)F)ccc1C(=O)NCCCCN1CCN(c2nsc3ccccc32)CC1 ZINC000013747175 562988376 /nfs/dbraw/zinc/98/83/76/562988376.db2.gz UXBKOBHMEXWBKP-UHFFFAOYSA-N 0 1 477.556 4.230 1 0 JIAFMN Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CN)c3Cl)cccn2c1Br ZINC000013778290 562991231 /nfs/dbraw/zinc/99/12/31/562991231.db2.gz KZIDOGNTOFRIQH-UHFFFAOYSA-N 0 1 472.170 4.213 1 0 JIAFMN CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)[C@@](CC)(c1cc(F)cc(F)c1)O2 ZINC000014966369 563009185 /nfs/dbraw/zinc/00/91/85/563009185.db2.gz ICDYHYNUXPDZEQ-AREMUKBSSA-N 0 1 497.546 4.216 1 0 JIAFMN C=C1N=C(C)C(C(=O)OCC)[C@H](c2ccc(I)cc2)C1C(=O)OCC ZINC000026963060 563038188 /nfs/dbraw/zinc/03/81/88/563038188.db2.gz MVKNKRHQRFFXNT-PQMNFKMDSA-N 0 1 455.292 4.493 1 0 JIAFMN Cc1ccc(Cl)c(O[C@H](C(C)C)[C@H](O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000028333189 563059714 /nfs/dbraw/zinc/05/97/14/563059714.db2.gz BOWNRQWYUOTCCD-ISKFKSNPSA-N 0 1 458.002 4.393 1 0 JIAFMN CCN(CC)CCN1c2ccccc2N(CCc2ccc(OC)cc2)c2ncccc2S1(=O)=O ZINC000028637915 563071992 /nfs/dbraw/zinc/07/19/92/563071992.db2.gz UIDVMIWNZXASAZ-UHFFFAOYSA-N 0 1 480.634 4.322 1 0 JIAFMN O=C(N[C@H]1CCc2ccc(CCN3CCN(c4nsc5ccccc54)CC3)cc21)c1cccnc1 ZINC000029038636 563090780 /nfs/dbraw/zinc/09/07/80/563090780.db2.gz CXZDAMKDHUXFMW-VWLOTQADSA-N 0 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Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(CCN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000045324441 563189098 /nfs/dbraw/zinc/18/90/98/563189098.db2.gz MNEBZNQCRKVFDV-UHFFFAOYSA-N 0 1 459.631 4.428 1 0 JIAFMN CN(Cc1ccc([C@H]2C[N@H+](C)CCc3cc(Cl)c([O-])cc32)cc1)S(=O)(=O)c1ccccc1 ZINC000045374121 563194021 /nfs/dbraw/zinc/19/40/21/563194021.db2.gz FDYARYSVVYXICE-HSZRJFAPSA-N 0 1 471.022 4.486 1 0 JIAFMN CN(Cc1ccc([C@H]2C[N@@H+](C)CCc3cc(Cl)c([O-])cc32)cc1)S(=O)(=O)c1ccccc1 ZINC000045374121 563194022 /nfs/dbraw/zinc/19/40/22/563194022.db2.gz FDYARYSVVYXICE-HSZRJFAPSA-N 0 1 471.022 4.486 1 0 JIAFMN CC(=O)N1CCC(Oc2ccc(NC/C=C/c3cc(C(N)=[NH2+])ccc3[O-])cc2C(F)(F)F)CC1 ZINC000013441119 562963244 /nfs/dbraw/zinc/96/32/44/562963244.db2.gz URUZCAASSFQCEX-NSCUHMNNSA-N 0 1 476.499 4.210 1 0 JIAFMN COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCCN1CCN(c2ccccc2OC)CC1 ZINC000013586513 562976652 /nfs/dbraw/zinc/97/66/52/562976652.db2.gz UGKGEWQQNWUAQP-DEOSSOPVSA-N 0 1 451.611 4.190 1 0 JIAFMN 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COc1ccc(C[N@@H+](Cc2cc3c(cc2Cl)OCO3)[C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000027631947 563047596 /nfs/dbraw/zinc/04/75/96/563047596.db2.gz GRPWIFADFKGVTR-JOCHJYFZSA-N 0 1 469.921 4.481 1 0 JIAFMN Cc1ccc(Cl)c(O[C@@H](C(C)C)[C@@H](O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000028333066 563059702 /nfs/dbraw/zinc/05/97/02/563059702.db2.gz BOWNRQWYUOTCCD-UPVQGACJSA-N 0 1 458.002 4.393 1 0 JIAFMN CCc1nc2c(ccc3c2CCN(CCCSc2nnc(-c4ocnc4C)n2C)CC3)o1 ZINC000029127322 563095724 /nfs/dbraw/zinc/09/57/24/563095724.db2.gz FRHJULSNWZOUMW-UHFFFAOYSA-N 0 1 452.584 4.065 1 0 JIAFMN Cc1nc2ccc3c(c2s1)CCN(CCCSc1nnc(-c2ocnc2C)n1C)CC3 ZINC000029127443 563095738 /nfs/dbraw/zinc/09/57/38/563095738.db2.gz IMFZWBPHAPCFAZ-UHFFFAOYSA-N 0 1 454.625 4.280 1 0 JIAFMN COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)N(C(=O)CN1CCCCC1)CC2 ZINC000035033993 563118430 /nfs/dbraw/zinc/11/84/30/563118430.db2.gz ZAKWDFLHDNUFNJ-XMMPIXPASA-N 0 1 473.411 4.426 1 0 JIAFMN Cn1c(=O)cc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(OC(F)(F)F)ccc21 ZINC000036126672 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O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCOCC1)c1ccccc1 ZINC000034804184 563116390 /nfs/dbraw/zinc/11/63/90/563116390.db2.gz XTOQDJQEIMRZFK-FQEVSTJZSA-N 0 1 489.460 4.004 1 0 JIAFMN NCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c32)c2sc3ccccc3c21 ZINC000034805091 563116518 /nfs/dbraw/zinc/11/65/18/563116518.db2.gz QEVNJCJWYHKUEO-UHFFFAOYSA-N 0 1 484.581 4.297 1 0 JIAFMN CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1nc(-c2cc(OC)c3ccccc3n2)c[nH]1 ZINC000035953987 563121508 /nfs/dbraw/zinc/12/15/08/563121508.db2.gz MPAWGBZPEYWJHS-QFIPXVFZSA-N 0 1 477.609 4.282 1 0 JIAFMN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(-c3cccc(Cl)c3)c(OC)c1)N1CCCC[C@@]21C(=O)OC ZINC000036386512 563128809 /nfs/dbraw/zinc/12/88/09/563128809.db2.gz UMXHBDCPIXBNJL-TZKYFUQOSA-N 0 1 496.991 4.089 3 0 JIAFMN O=C([O-])c1ccc(C[N@H+]2CCCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000040414203 563141233 /nfs/dbraw/zinc/14/12/33/563141233.db2.gz AVYZKZHEJDTTDY-UHFFFAOYSA-N 0 1 459.546 4.324 1 0 JIAFMN CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@H](NC(=O)OC)C4)nc3cc2Cl)CC1 ZINC000040874987 563152110 /nfs/dbraw/zinc/15/21/10/563152110.db2.gz CDOAKUQOANRBJU-LHSJRXKWSA-N 0 1 452.024 4.118 1 0 JIAFMN COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)cc1N1CCN(C)CC1 ZINC000000602478 562918487 /nfs/dbraw/zinc/91/84/87/562918487.db2.gz HMXSDCGHXDOQAO-UHFFFAOYSA-N 0 1 465.573 4.479 1 0 JIAFMN CCCN1c2ccccc2C([C@H]2CC(C)(C)CCN2)=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O ZINC000003952732 562930746 /nfs/dbraw/zinc/93/07/46/562930746.db2.gz JNKWTCHATBWSQL-QPPBQGQZSA-N 0 1 461.610 4.467 1 0 JIAFMN CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)C1 ZINC000004101450 562932387 /nfs/dbraw/zinc/93/23/87/562932387.db2.gz BMSUXEZSTGFSIZ-HXUWFJFHSA-N 0 1 474.001 4.317 3 0 JIAFMN CC[NH+](CC)CCCNC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000008812955 562954939 /nfs/dbraw/zinc/95/49/39/562954939.db2.gz WCMHNCDTWUKZIH-UHFFFAOYSA-N 0 1 486.682 4.248 3 0 JIAFMN C[N@@H+](CCCN1C(=O)CS[C@@H]1c1cc(Cl)c([O-])c(Cl)c1)CCOc1ccc2c(c1)OCO2 ZINC000013799755 562993819 /nfs/dbraw/zinc/99/38/19/562993819.db2.gz NIDBQJCROFLCRC-JOCHJYFZSA-N 0 1 499.416 4.403 1 0 JIAFMN CCOCCCN1c2cc(-c3c(N)nc(N)nc3CC)ccc2O[C@@](C)(c2cc(F)cc(F)c2)C1=O ZINC000014966497 563009267 /nfs/dbraw/zinc/00/92/67/563009267.db2.gz IPXPSGDBCIRUBU-SANMLTNESA-N 0 1 497.546 4.216 1 0 JIAFMN CC[C@]1(c2ccccc2)NC(=O)N(CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022932278 563018475 /nfs/dbraw/zinc/01/84/75/563018475.db2.gz KHKHAYYBYAWAEH-SSEXGKCCSA-N 0 1 482.628 4.251 1 0 JIAFMN Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2cccc(C)c2)c1Br ZINC000026185361 563023966 /nfs/dbraw/zinc/02/39/66/563023966.db2.gz PFFISQSGKLUPSY-UHFFFAOYSA-N 0 1 457.327 4.135 1 0 JIAFMN O=C(CCCCN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000028647033 563073444 /nfs/dbraw/zinc/07/34/44/563073444.db2.gz FTOFGDJLUOLPOE-UHFFFAOYSA-N 0 1 473.036 4.116 1 0 JIAFMN CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)N2CCCC2)s1 ZINC000028827409 563083073 /nfs/dbraw/zinc/08/30/73/563083073.db2.gz LNWFRQFAJKYOTN-KSSFIOAISA-N 0 1 450.555 4.044 1 0 JIAFMN CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c-3n[nH]c2-c2nc3ccccc3s2)C(=O)O1 ZINC000028949250 563086761 /nfs/dbraw/zinc/08/67/61/563086761.db2.gz BCBGJUUDTHQYMA-KRWDZBQOSA-N 0 1 473.558 4.303 1 0 JIAFMN CCc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2ocnc2C)n1C)CC3 ZINC000029126761 563095237 /nfs/dbraw/zinc/09/52/37/563095237.db2.gz UALAMQRWRIVLLQ-UHFFFAOYSA-N 0 1 452.584 4.065 1 0 JIAFMN Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCCCC1 ZINC000040393094 563138324 /nfs/dbraw/zinc/13/83/24/563138324.db2.gz BQGLDSZPKUBDDR-UHFFFAOYSA-N 0 1 481.000 4.251 1 0 JIAFMN CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000040933213 563156738 /nfs/dbraw/zinc/15/67/38/563156738.db2.gz HOCMQHWZEDLVLB-HSZRJFAPSA-N 0 1 459.546 4.322 1 0 JIAFMN CN(CCC[N@@H+](C)Cc1ccc(C(=O)[O-])o1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000040934268 563157336 /nfs/dbraw/zinc/15/73/36/563157336.db2.gz AIESKIBQLICDPM-UHFFFAOYSA-N 0 1 451.523 4.163 1 0 JIAFMN Cc1ccccc1[C@@H]1CC(=O)N(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000040949274 563159124 /nfs/dbraw/zinc/15/91/24/563159124.db2.gz YZPPUYQRFYFRIJ-QFIPXVFZSA-N 0 1 459.512 4.069 1 0 JIAFMN O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCc1cccc(CNCc3ccccc3Cl)c1)ccc2[O-] ZINC000043171430 563168155 /nfs/dbraw/zinc/16/81/55/563168155.db2.gz PVJNMWAQIUNUKH-QFIPXVFZSA-N 0 1 484.021 4.104 1 0 JIAFMN CC(C)(CNC(=O)[C@H]1CCCC[NH2+]1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000045228858 563180562 /nfs/dbraw/zinc/18/05/62/563180562.db2.gz RTXIGAYXHFNRSZ-GOSISDBHSA-N 0 1 453.974 4.034 1 0 JIAFMN CC(C)(CNC(=O)[C@H]1CCCC[NH2+]1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000045228858 563180563 /nfs/dbraw/zinc/18/05/63/563180563.db2.gz RTXIGAYXHFNRSZ-GOSISDBHSA-N 0 1 453.974 4.034 1 0 JIAFMN O=C1CS[C@@H](c2c[nH]c3ccccc32)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000045288171 563184370 /nfs/dbraw/zinc/18/43/70/563184370.db2.gz ICJYRQHSQDWPGP-QFIPXVFZSA-N 0 1 450.545 4.142 1 0 JIAFMN CC(C)(CNC(=O)[C@@H]1CCCC[NH2+]1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000045302835 563186845 /nfs/dbraw/zinc/18/68/45/563186845.db2.gz RTXIGAYXHFNRSZ-SFHVURJKSA-N 0 1 453.974 4.034 1 0 JIAFMN CC(C)(CNC(=O)[C@@H]1CCCC[NH2+]1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000045302835 563186847 /nfs/dbraw/zinc/18/68/47/563186847.db2.gz RTXIGAYXHFNRSZ-SFHVURJKSA-N 0 1 453.974 4.034 1 0 JIAFMN Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)cc32)[nH]1 ZINC000045366260 563193027 /nfs/dbraw/zinc/19/30/27/563193027.db2.gz OAOIBNCLBKKVQA-JLPGSUDCSA-N 0 1 469.589 4.124 1 0 JIAFMN CC(C)CN1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n43)ccc2F)CC1 ZINC000045368475 563193418 /nfs/dbraw/zinc/19/34/18/563193418.db2.gz DQJWNJYOPPRRGH-UHFFFAOYSA-N 0 1 479.383 4.078 1 0 JIAFMN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)c6ccccc6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000049881602 563204593 /nfs/dbraw/zinc/20/45/93/563204593.db2.gz IORYAHHDJLLPOB-DLFRJSDOSA-N 0 1 480.693 4.187 1 0 JIAFMN Cc1nn(C)c(Cl)c1CN1CCOc2ccc(CN3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000055054609 563205970 /nfs/dbraw/zinc/20/59/70/563205970.db2.gz XTRXXWWQVXNDNZ-UHFFFAOYSA-N 0 1 482.028 4.215 1 0 JIAFMN O=c1cc(CO)oc2cc(OCCCN3CCC(c4noc5cc(F)ccc54)CC3)ccc12 ZINC000002007426 562924447 /nfs/dbraw/zinc/92/44/47/562924447.db2.gz RHEDVRGGTUGTPR-UHFFFAOYSA-N 0 1 452.482 4.214 1 0 JIAFMN Cc1cc(C(=O)N2CCOc3ccc(CN4CCC(Oc5cccnc5)CC4)cc3C2)c(C)o1 ZINC000011910264 562957858 /nfs/dbraw/zinc/95/78/58/562957858.db2.gz IVZSPHYCRSUJNN-UHFFFAOYSA-N 0 1 461.562 4.370 1 0 JIAFMN COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000013526268 562971544 /nfs/dbraw/zinc/97/15/44/562971544.db2.gz FXZOIJYOTNRPAT-JLHYYAGUSA-N 0 1 472.427 4.190 1 0 JIAFMN Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2ccc(C)cc2)c1Br ZINC000013815697 562996334 /nfs/dbraw/zinc/99/63/34/562996334.db2.gz RWXQRDXNKDBDOX-UHFFFAOYSA-N 0 1 455.355 4.342 1 0 JIAFMN O=c1c2ccccc2c(=O)n(-c2ccccc2)n1CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000013839376 563001558 /nfs/dbraw/zinc/00/15/58/563001558.db2.gz JAKRVNFVZSOYIR-UHFFFAOYSA-N 0 1 474.992 4.018 1 0 JIAFMN Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCCSc3ncnc4[nH]cnc43)CC2)cc1 ZINC000022442968 563016873 /nfs/dbraw/zinc/01/68/73/563016873.db2.gz FIKUUKZURPKAKN-UHFFFAOYSA-N 0 1 480.588 4.472 1 0 JIAFMN C[NH+]1CCN(Cc2ccccc2-c2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(=O)[O-])cc2)CC1 ZINC000022940039 563019525 /nfs/dbraw/zinc/01/95/25/563019525.db2.gz DMLHABDABMJTJN-SANMLTNESA-N 0 1 492.019 4.180 1 0 JIAFMN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[NH2+]CCOc1ccc(C=C3SC(=O)[N-]C3=O)cc1)O2 ZINC000025966191 563020636 /nfs/dbraw/zinc/02/06/36/563020636.db2.gz REZLHJHWHCIPJL-GXKYMGBSSA-N 0 1 482.602 4.394 1 0 JIAFMN O=C(N[C@H]1CCc2ccc(CCN3CCN(c4nsc5ccccc54)CC3)cc21)c1ccno1 ZINC000029038716 563090893 /nfs/dbraw/zinc/09/08/93/563090893.db2.gz LHFRREYTABIJEO-QFIPXVFZSA-N 0 1 473.602 4.066 1 0 JIAFMN Brc1cccc(Nc2ncnc3cc4c(cnn4CCCN4CCOCC4)cc32)c1 ZINC000029323906 563100347 /nfs/dbraw/zinc/10/03/47/563100347.db2.gz JZIOODYWXRIKDF-UHFFFAOYSA-N 0 1 467.371 4.208 1 0 JIAFMN COc1cc(NCCCCCCN2CCN(C(=O)N3CCCC3)CC2)c2nccc(C)c2c1 ZINC000029564706 563107298 /nfs/dbraw/zinc/10/72/98/563107298.db2.gz QXDOPKJJUPTYPY-UHFFFAOYSA-N 0 1 453.631 4.358 1 0 JIAFMN CCCc1cccc(-c2nc(Cc3ccc(S(N)(=O)=O)cc3)[nH]c2-c2ccc3nccnc3c2)n1 ZINC000040405770 563140068 /nfs/dbraw/zinc/14/00/68/563140068.db2.gz UZSZMBZAZQLYFS-UHFFFAOYSA-N 0 1 484.585 4.273 1 0 JIAFMN COCCCN(Cc1ccccc1-c1ccc(C(=O)N2CCNCC2)cc1)C(=O)Cc1ccccc1 ZINC000040915461 563155446 /nfs/dbraw/zinc/15/54/46/563155446.db2.gz XIMCNBZXXDFXEO-UHFFFAOYSA-N 0 1 485.628 4.007 1 0 JIAFMN CCCN(Cc1ccccc1Br)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040915655 563155574 /nfs/dbraw/zinc/15/55/74/563155574.db2.gz GVOOWHRYAVMNOF-NRFANRHFSA-N 0 1 465.342 4.119 1 0 JIAFMN O=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2ccccc2Cl)CC1 ZINC000040973733 563161580 /nfs/dbraw/zinc/16/15/80/563161580.db2.gz ZANLGXZGAMMUEY-UHFFFAOYSA-N 0 1 461.997 4.443 1 0 JIAFMN NS(=O)(=O)c1ccc(Nc2[nH+]c3cc(C(=O)[O-])ccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000043120411 563167469 /nfs/dbraw/zinc/16/74/69/563167469.db2.gz JEISSDSFUGGGDR-UHFFFAOYSA-N 0 1 490.463 4.193 1 0 JIAFMN Cc1c(C(=O)NCCCN2CCN(c3cccc4cccnc43)CC2)cc(-c2ccccc2)n1C ZINC000058568468 563207448 /nfs/dbraw/zinc/20/74/48/563207448.db2.gz HSGTXFOSGPTDRB-UHFFFAOYSA-N 0 1 467.617 4.491 1 0 JIAFMN COc1cc(CNC(=O)Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)cc(OC)c1OC ZINC000061907829 563210713 /nfs/dbraw/zinc/21/07/13/563210713.db2.gz JXGLPSJPWFLICW-INIZCTEOSA-N 0 1 476.986 4.387 3 0 JIAFMN Cc1cc(C)c(N2CCN(C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)CC2)c(C)c1 ZINC000013606646 562978821 /nfs/dbraw/zinc/97/88/21/562978821.db2.gz CPPNLMBHDVESPV-UHFFFAOYSA-N 0 1 486.660 4.244 1 0 JIAFMN CCOC(=O)n1c2ccccc2c(=O)n1CCCCN1CCN(c2nsc3ccccc32)CC1 ZINC000013738132 562986383 /nfs/dbraw/zinc/98/63/83/562986383.db2.gz FWRZTTGLYSGBCQ-UHFFFAOYSA-N 0 1 479.606 4.020 1 0 JIAFMN COc1ccc([C@@H]2[C@@H](C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N(C)C2CCCCC2)cc1 ZINC000013746931 562988188 /nfs/dbraw/zinc/98/81/88/562988188.db2.gz PJPSUSRDIRKFPW-WDDWZANVSA-N 0 1 494.588 4.056 1 0 JIAFMN N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 ZINC000013779051 562991311 /nfs/dbraw/zinc/99/13/11/562991311.db2.gz LJTKFVOSAVCILF-UKILVPOCSA-N 0 1 461.993 4.107 1 0 in-vitro JIAFMN CCc1nc(N)nc(N)c1-c1ccc2c(c1)nc(-c1ccccc1)n2Cc1ccc(S(C)(=O)=O)cc1 ZINC000014970691 563009618 /nfs/dbraw/zinc/00/96/18/563009618.db2.gz OJVARHYUTXXZJR-UHFFFAOYSA-N 0 1 498.612 4.339 1 0 JIAFMN C[C@@H](CN1CCN(C[C@H](F)Cc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccc(F)cc1 ZINC000022931023 563018427 /nfs/dbraw/zinc/01/84/27/563018427.db2.gz VQZDZTOKSITKJO-WMZHIEFXSA-N 0 1 464.564 4.190 1 0 JIAFMN O[C@H](COc1ccc2cccnc2c1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022934084 563018677 /nfs/dbraw/zinc/01/86/77/563018677.db2.gz HKYYWQRYCVLVFC-SANMLTNESA-N 0 1 453.586 4.382 1 0 JIAFMN CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2CN(C)C(C)=O)cc1 ZINC000035921525 563121185 /nfs/dbraw/zinc/12/11/85/563121185.db2.gz IHHUJYRBHNKJIO-UHFFFAOYSA-N 0 1 464.547 4.189 1 0 JIAFMN C[C@H](NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2s1)c1ccccc1 ZINC000036473702 563130291 /nfs/dbraw/zinc/13/02/91/563130291.db2.gz YTKKDDPGXMBSNV-KRWDZBQOSA-N 0 1 488.617 4.120 1 0 JIAFMN CCN1CCN(c2cc3[nH]c(S[C@@]4(C)CC[C@H](NC(=O)OC)C4)nc3cc2Cl)CC1 ZINC000040874989 563152136 /nfs/dbraw/zinc/15/21/36/563152136.db2.gz CDOAKUQOANRBJU-QKKBWIMNSA-N 0 1 452.024 4.118 1 0 JIAFMN COc1ccc2c(n1)n(-c1ccccc1)c(Oc1c(C)cccc1C)c2C(=O)N1CCNCC1 ZINC000043206830 563168845 /nfs/dbraw/zinc/16/88/45/563168845.db2.gz UTIAQHRNBZVNAX-UHFFFAOYSA-N 0 1 456.546 4.489 1 0 JIAFMN CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2Cn2ccnc2)cc1 ZINC000045348958 563191458 /nfs/dbraw/zinc/19/14/58/563191458.db2.gz PGZFLIGICKGSIH-UHFFFAOYSA-N 0 1 459.531 4.456 1 0 JIAFMN COc1ccc(-c2nc3c(ncc(Br)c3N3CCN(Cc4cccnc4)CC3)[nH]2)cc1 ZINC000049036807 563199018 /nfs/dbraw/zinc/19/90/18/563199018.db2.gz DDKFQQFHOJBBBE-UHFFFAOYSA-N 0 1 479.382 4.113 1 0 JIAFMN CN(C(=O)Nc1ccccc1Cl)c1cc(Nc2ccc(N3CCN(C)CC3)cc2)ncn1 ZINC000053274910 563205480 /nfs/dbraw/zinc/20/54/80/563205480.db2.gz YBDXBHLSQIYFMW-UHFFFAOYSA-N 0 1 451.962 4.294 1 0 JIAFMN O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)Nc3cccc(Cl)c3)c21 ZINC000004758619 194395124 /nfs/dbraw/zinc/39/51/24/194395124.db2.gz AJYJZVIEHXFMGO-UHFFFAOYSA-N 0 1 455.761 4.202 1 0 JIAFMN COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(C[C@H]3CCCN3C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000013450636 562964664 /nfs/dbraw/zinc/96/46/64/562964664.db2.gz DMBNNPMTRSVDEP-LJFZDNNRSA-N 0 1 490.522 4.413 1 0 JIAFMN O=C([O-])C[C@@H]1CCN(CC(=O)NCc2ccc(Nc3[nH]c4ccccc4[nH+]3)cc2)C(=O)c2ccccc21 ZINC000013478075 562967252 /nfs/dbraw/zinc/96/72/52/562967252.db2.gz CGSZXHMJECQYGY-IBGZPJMESA-N 0 1 497.555 4.027 1 0 JIAFMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000013671955 562982644 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