smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)ccc1O ZINC000001099081 551608216 /nfs/dbraw/zinc/60/82/16/551608216.db2.gz CDYVWDBHKCWKSF-DVECYGJZSA-N 0 1 542.610 2.943 50 30 KFEAMN COc1cc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)ccc1O ZINC000001099082 551608202 /nfs/dbraw/zinc/60/82/02/551608202.db2.gz CDYVWDBHKCWKSF-NTKDMRAZSA-N 0 1 542.610 2.943 50 30 KFEAMN COc1cc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000001099083 551608172 /nfs/dbraw/zinc/60/81/72/551608172.db2.gz CDYVWDBHKCWKSF-CYFREDJKSA-N 0 1 542.610 2.943 50 30 KFEAMN COc1cc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000001099084 551608191 /nfs/dbraw/zinc/60/81/91/551608191.db2.gz CDYVWDBHKCWKSF-YADARESESA-N 0 1 542.610 2.943 50 30 KFEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)cc2)n1 ZINC000001769940 551695749 /nfs/dbraw/zinc/69/57/49/551695749.db2.gz SYEMQLIMRHFNDB-UHFFFAOYSA-N 0 1 567.653 2.965 50 30 KFEAMN CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000002177516 551783724 /nfs/dbraw/zinc/78/37/24/551783724.db2.gz KOHMYUCPOUCWOB-GZTJUZNOSA-N 0 1 537.417 2.549 50 30 KFEAMN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]31)C(=O)N2 ZINC000002221472 551796192 /nfs/dbraw/zinc/79/61/92/551796192.db2.gz LFVZVNRHLHUCRK-ZFUOYSMOSA-N 0 1 538.029 2.651 50 30 KFEAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](CCC(N)=O)[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]31)C(=O)N2 ZINC000002221473 551796301 /nfs/dbraw/zinc/79/63/01/551796301.db2.gz LFVZVNRHLHUCRK-DBJLNPBZSA-N 0 1 538.029 2.651 50 30 KFEAMN Cc1c2c(ccc1Cl)[C@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]31)C(=O)N2 ZINC000002221475 551796205 /nfs/dbraw/zinc/79/62/05/551796205.db2.gz LFVZVNRHLHUCRK-RCUCPDRNSA-N 0 1 538.029 2.651 50 30 KFEAMN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]31)C(=O)N2 ZINC000002221476 551796263 /nfs/dbraw/zinc/79/62/63/551796263.db2.gz LFVZVNRHLHUCRK-PXYNUFBESA-N 0 1 538.029 2.651 50 30 KFEAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)cc2)n1 ZINC000002709326 552160737 /nfs/dbraw/zinc/16/07/37/552160737.db2.gz YUJLVIJJAPJFFW-UHFFFAOYSA-N 0 1 553.626 2.656 50 30 KFEAMN CC(N=Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000005295055 552496498 /nfs/dbraw/zinc/49/64/98/552496498.db2.gz OFYIPMPVIBQYET-ROTLSHHCSA-N 0 1 512.324 2.978 50 30 KFEAMN COc1ccc(Br)cc1C=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1 ZINC000005356388 552499257 /nfs/dbraw/zinc/49/92/57/552499257.db2.gz ZHJOJWNHQGGXKV-ZMOGYAJESA-N 0 1 513.352 2.719 50 30 KFEAMN Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000005358520 552499648 /nfs/dbraw/zinc/49/96/48/552499648.db2.gz IKBXHBQUYORFQQ-YSURURNPSA-N 0 1 501.316 2.535 50 30 KFEAMN CC(C)(C)NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])C2=NO ZINC000006075190 552526909 /nfs/dbraw/zinc/52/69/09/552526909.db2.gz LXJJXNGGVBLCFP-UHFFFAOYSA-N 0 1 555.591 2.864 50 30 KFEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000006079914 552530016 /nfs/dbraw/zinc/53/00/16/552530016.db2.gz IUAKHQQMZMOTER-QHCPKHFHSA-N 0 1 532.615 2.959 50 30 KFEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000006079918 552530108 /nfs/dbraw/zinc/53/01/08/552530108.db2.gz IUAKHQQMZMOTER-HSZRJFAPSA-N 0 1 532.615 2.959 50 30 KFEAMN C=CCn1c(CSc2nc(N)cc(N)n2)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000006147827 552549208 /nfs/dbraw/zinc/54/92/08/552549208.db2.gz VBVTYAJWTGPPKD-UHFFFAOYSA-N 0 1 500.610 2.618 50 30 KFEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000006173487 552558980 /nfs/dbraw/zinc/55/89/80/552558980.db2.gz JJVIDOHGICINHC-QHCPKHFHSA-N 0 1 548.061 2.891 50 30 KFEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000006173488 552558941 /nfs/dbraw/zinc/55/89/41/552558941.db2.gz JJVIDOHGICINHC-HSZRJFAPSA-N 0 1 548.061 2.891 50 30 KFEAMN C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCC4(CC3)OCCO4)c(=O)c2c1 ZINC000006296460 552578994 /nfs/dbraw/zinc/57/89/94/552578994.db2.gz JCSOKSDRJJXCKX-UHFFFAOYSA-N 0 1 509.584 2.889 50 30 KFEAMN CCOC(=O)C(=NNc1ccc(NC(=O)c2ccc(NN=C(C(C)=O)C(=O)OCC)cc2)cc1)C(C)=O ZINC000008398484 552999203 /nfs/dbraw/zinc/99/92/03/552999203.db2.gz GJRRVCHRTVBWEE-CMQILWEHSA-N 0 1 509.519 2.779 50 30 KFEAMN COc1c(Br)cc(Br)cc1C=NN=c1nc(N2CCOCC2)[nH]c(N2CCOCC2)n1 ZINC000008427029 553019409 /nfs/dbraw/zinc/01/94/09/553019409.db2.gz SQNXCXJCTDGNLI-WSDLNYQXSA-N 0 1 557.247 2.524 50 30 KFEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008433214 553028248 /nfs/dbraw/zinc/02/82/48/553028248.db2.gz BKCPKYODJAHOAO-SANMLTNESA-N 0 1 563.636 2.917 50 30 KFEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008433215 553028265 /nfs/dbraw/zinc/02/82/65/553028265.db2.gz BKCPKYODJAHOAO-AREMUKBSSA-N 0 1 563.636 2.917 50 30 KFEAMN C=CCN1C(=O)NC(=O)/C(=C/c2cc(I)cc(I)c2OC)C1=O ZINC000008438216 553033360 /nfs/dbraw/zinc/03/33/60/553033360.db2.gz IRDDFRDTAGGAMZ-POHAHGRESA-N 0 1 538.079 2.552 50 30 KFEAMN O=[N+]([O-])c1cc(-c2ccc(CN=Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)ccc1Cl ZINC000008445684 553054740 /nfs/dbraw/zinc/05/47/40/553054740.db2.gz LUWMCZVCUYNAHC-ZVHZXABRSA-N 0 1 514.930 2.812 50 30 KFEAMN COc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Br)cc2)cc(OC)c1OC ZINC000008636870 553105671 /nfs/dbraw/zinc/10/56/71/553105671.db2.gz AFVPESGIPDFMLC-RPPGKUMJSA-N 0 1 557.405 2.716 50 30 KFEAMN COc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)ccc1OC(=O)c1ccco1 ZINC000008683384 553112842 /nfs/dbraw/zinc/11/28/42/553112842.db2.gz WDJKUQQJJGUWDH-RWPZCVJISA-N 0 1 528.525 2.749 50 30 KFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1C ZINC000008816736 553152016 /nfs/dbraw/zinc/15/20/16/553152016.db2.gz NVZFOXLSEQILDJ-QFIPXVFZSA-N 0 1 529.590 2.974 50 30 KFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1C ZINC000008816737 553152106 /nfs/dbraw/zinc/15/21/06/553152106.db2.gz NVZFOXLSEQILDJ-JOCHJYFZSA-N 0 1 529.590 2.974 50 30 KFEAMN COc1cccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)C(=O)C(=O)N2CCN2CCOCC2)c1OC ZINC000008817119 553152297 /nfs/dbraw/zinc/15/22/97/553152297.db2.gz TVWQGHSSMKBKPX-QHCPKHFHSA-N 0 1 520.586 2.879 50 30 KFEAMN COc1cccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)C(=O)C(=O)N2CCN2CCOCC2)c1OC ZINC000008817120 553152369 /nfs/dbraw/zinc/15/23/69/553152369.db2.gz TVWQGHSSMKBKPX-HSZRJFAPSA-N 0 1 520.586 2.879 50 30 KFEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008817973 553153414 /nfs/dbraw/zinc/15/34/14/553153414.db2.gz XTZNPVRDYIDPGP-DEOSSOPVSA-N 0 1 518.570 2.730 50 30 KFEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008817974 553153458 /nfs/dbraw/zinc/15/34/58/553153458.db2.gz XTZNPVRDYIDPGP-XMMPIXPASA-N 0 1 518.570 2.730 50 30 KFEAMN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008826994 553156390 /nfs/dbraw/zinc/15/63/90/553156390.db2.gz WBENYFHYTJCRJW-JOCHJYFZSA-N 0 1 505.531 2.770 50 30 KFEAMN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008826995 553156413 /nfs/dbraw/zinc/15/64/13/553156413.db2.gz WBENYFHYTJCRJW-QFIPXVFZSA-N 0 1 505.531 2.770 50 30 KFEAMN COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000008827096 553156387 /nfs/dbraw/zinc/15/63/87/553156387.db2.gz NUDFZVHEAIWCMM-XMMPIXPASA-N 0 1 520.586 2.961 50 30 KFEAMN COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000008827097 553156402 /nfs/dbraw/zinc/15/64/02/553156402.db2.gz NUDFZVHEAIWCMM-DEOSSOPVSA-N 0 1 520.586 2.961 50 30 KFEAMN COc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000008827098 553156397 /nfs/dbraw/zinc/15/63/97/553156397.db2.gz QGDLEBICGRHQFX-RUZDIDTESA-N 0 1 520.586 2.961 50 30 KFEAMN COc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000008827099 553156417 /nfs/dbraw/zinc/15/64/17/553156417.db2.gz QGDLEBICGRHQFX-VWLOTQADSA-N 0 1 520.586 2.961 50 30 KFEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008827100 553156380 /nfs/dbraw/zinc/15/63/80/553156380.db2.gz RKLJLBKZBMKUSE-RUZDIDTESA-N 0 1 520.586 2.961 50 30 KFEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008827101 553156409 /nfs/dbraw/zinc/15/64/09/553156409.db2.gz RKLJLBKZBMKUSE-VWLOTQADSA-N 0 1 520.586 2.961 50 30 KFEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000008827194 553156371 /nfs/dbraw/zinc/15/63/71/553156371.db2.gz DOPXUAFWZFMPRH-XMMPIXPASA-N 0 1 520.586 2.879 50 30 KFEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000008827195 553156383 /nfs/dbraw/zinc/15/63/83/553156383.db2.gz DOPXUAFWZFMPRH-DEOSSOPVSA-N 0 1 520.586 2.879 50 30 KFEAMN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008835854 553162649 /nfs/dbraw/zinc/16/26/49/553162649.db2.gz YUOQGOXFNWDTOY-HSZRJFAPSA-N 0 1 505.531 2.852 50 30 KFEAMN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008835855 553162617 /nfs/dbraw/zinc/16/26/17/553162617.db2.gz YUOQGOXFNWDTOY-QHCPKHFHSA-N 0 1 505.531 2.852 50 30 KFEAMN CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000008836101 553162825 /nfs/dbraw/zinc/16/28/25/553162825.db2.gz LCHUNNQORKWQPT-GOSISDBHSA-N 0 1 502.531 2.561 50 30 KFEAMN CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000008836103 553162957 /nfs/dbraw/zinc/16/29/57/553162957.db2.gz LCHUNNQORKWQPT-SFHVURJKSA-N 0 1 502.531 2.561 50 30 KFEAMN COc1c(Br)cc(Br)cc1C=NN=c1nc(N(C)C)[nH]c(N2CCOCC2)n1 ZINC000008872814 553174035 /nfs/dbraw/zinc/17/40/35/553174035.db2.gz ISNBBJXWMOCQKJ-KEBDBYFISA-N 0 1 515.210 2.754 50 30 KFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)c1C ZINC000008895909 553178624 /nfs/dbraw/zinc/17/86/24/553178624.db2.gz BAZOKIVVSGVUGY-HSZRJFAPSA-N 0 1 511.575 2.727 50 30 KFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)c1C ZINC000008895913 553178627 /nfs/dbraw/zinc/17/86/27/553178627.db2.gz BAZOKIVVSGVUGY-QHCPKHFHSA-N 0 1 511.575 2.727 50 30 KFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2)c1C ZINC000008895919 553178630 /nfs/dbraw/zinc/17/86/30/553178630.db2.gz UDUKXIBIYZJSTC-HSZRJFAPSA-N 0 1 511.575 2.727 50 30 KFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2)c1C ZINC000008895926 553178590 /nfs/dbraw/zinc/17/85/90/553178590.db2.gz UDUKXIBIYZJSTC-QHCPKHFHSA-N 0 1 511.575 2.727 50 30 KFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c1C ZINC000008897364 553179724 /nfs/dbraw/zinc/17/97/24/553179724.db2.gz QJPQJZKBSOGSKA-OAQYLSRUSA-N 0 1 501.967 2.982 50 30 KFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c1C ZINC000008897371 553179658 /nfs/dbraw/zinc/17/96/58/553179658.db2.gz QJPQJZKBSOGSKA-NRFANRHFSA-N 0 1 501.967 2.982 50 30 KFEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009007821 553198362 /nfs/dbraw/zinc/19/83/62/553198362.db2.gz BOMUCOOZBKMRDB-DEOSSOPVSA-N 0 1 506.559 2.570 50 30 KFEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000009007822 553198375 /nfs/dbraw/zinc/19/83/75/553198375.db2.gz BOMUCOOZBKMRDB-XMMPIXPASA-N 0 1 506.559 2.570 50 30 KFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)c1C ZINC000009045893 553203545 /nfs/dbraw/zinc/20/35/45/553203545.db2.gz GULYNDYDKOGSPW-OAQYLSRUSA-N 0 1 501.967 2.982 50 30 KFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000009086326 553208549 /nfs/dbraw/zinc/20/85/49/553208549.db2.gz ODMMETWAKFMBSP-XMMPIXPASA-N 0 1 526.586 2.940 50 30 KFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000009086327 553208519 /nfs/dbraw/zinc/20/85/19/553208519.db2.gz ODMMETWAKFMBSP-DEOSSOPVSA-N 0 1 526.586 2.940 50 30 KFEAMN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009174128 553216165 /nfs/dbraw/zinc/21/61/65/553216165.db2.gz XATVHIAEULIHOK-QFIPXVFZSA-N 0 1 505.531 2.770 50 30 KFEAMN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009174168 553216222 /nfs/dbraw/zinc/21/62/22/553216222.db2.gz XATVHIAEULIHOK-JOCHJYFZSA-N 0 1 505.531 2.770 50 30 KFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)c1C ZINC000009177523 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CN(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020267771 553630640 /nfs/dbraw/zinc/63/06/40/553630640.db2.gz OVWKEJKZURVFBD-VWLOTQADSA-N 0 1 507.587 2.824 50 30 KFEAMN CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020267773 553630747 /nfs/dbraw/zinc/63/07/47/553630747.db2.gz OVWKEJKZURVFBD-RUZDIDTESA-N 0 1 507.587 2.824 50 30 KFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)c(O)c1 ZINC000020309470 553636808 /nfs/dbraw/zinc/63/68/08/553636808.db2.gz HIXPRDORZFFXSW-XMMPIXPASA-N 0 1 512.559 2.719 50 30 KFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)c(O)c1 ZINC000020309472 553636702 /nfs/dbraw/zinc/63/67/02/553636702.db2.gz HIXPRDORZFFXSW-DEOSSOPVSA-N 0 1 512.559 2.719 50 30 KFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(O)c1 ZINC000020309480 553636889 /nfs/dbraw/zinc/63/68/89/553636889.db2.gz AJXWQYYTUUDVGX-XMMPIXPASA-N 0 1 512.559 2.719 50 30 KFEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(O)c1 ZINC000020309483 553636931 /nfs/dbraw/zinc/63/69/31/553636931.db2.gz AJXWQYYTUUDVGX-DEOSSOPVSA-N 0 1 512.559 2.719 50 30 KFEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020332552 553639789 /nfs/dbraw/zinc/63/97/89/553639789.db2.gz WIMFWUDUIKUWKF-RUZDIDTESA-N 0 1 506.555 2.933 50 30 KFEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020332556 553639850 /nfs/dbraw/zinc/63/98/50/553639850.db2.gz WIMFWUDUIKUWKF-VWLOTQADSA-N 0 1 506.555 2.933 50 30 KFEAMN CCCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2CCN(C)C ZINC000020357469 553642521 /nfs/dbraw/zinc/64/25/21/553642521.db2.gz DUSNIMYCYQGQLC-MUUNZHRXSA-N 0 1 505.571 2.899 50 30 KFEAMN CCCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2CCN(C)C ZINC000020357470 553642691 /nfs/dbraw/zinc/64/26/91/553642691.db2.gz DUSNIMYCYQGQLC-NDEPHWFRSA-N 0 1 505.571 2.899 50 30 KFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(O)c1 ZINC000027988093 553837094 /nfs/dbraw/zinc/83/70/94/553837094.db2.gz MIFUSTLZFUICFA-QFIPXVFZSA-N 0 1 500.573 2.792 50 30 KFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(O)c1 ZINC000027988100 553837029 /nfs/dbraw/zinc/83/70/29/553837029.db2.gz MIFUSTLZFUICFA-JOCHJYFZSA-N 0 1 500.573 2.792 50 30 KFEAMN C=CCN(CC=C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000033033264 553892291 /nfs/dbraw/zinc/89/22/91/553892291.db2.gz WHJWYQPDNRDGMZ-UHFFFAOYSA-N 0 1 500.621 2.728 50 30 KFEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000034935028 554033191 /nfs/dbraw/zinc/03/31/91/554033191.db2.gz IWYGHNJCHLBWAG-QHCPKHFHSA-N 0 1 512.559 2.632 50 30 KFEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000034935031 554033272 /nfs/dbraw/zinc/03/32/72/554033272.db2.gz IWYGHNJCHLBWAG-HSZRJFAPSA-N 0 1 512.559 2.632 50 30 KFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000038139749 554261305 /nfs/dbraw/zinc/26/13/05/554261305.db2.gz KKQAOLNLGYUHGF-HSZRJFAPSA-N 0 1 530.599 2.800 50 30 KFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000038139750 554261381 /nfs/dbraw/zinc/26/13/81/554261381.db2.gz KKQAOLNLGYUHGF-QHCPKHFHSA-N 0 1 530.599 2.800 50 30 KFEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000038139764 554261389 /nfs/dbraw/zinc/26/13/89/554261389.db2.gz DWMVRFYWSXRRFL-JOCHJYFZSA-N 0 1 535.018 2.976 50 30 KFEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000038139765 554261347 /nfs/dbraw/zinc/26/13/47/554261347.db2.gz DWMVRFYWSXRRFL-QFIPXVFZSA-N 0 1 535.018 2.976 50 30 KFEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1cccc(Cl)c1 ZINC000038140086 554262586 /nfs/dbraw/zinc/26/25/86/554262586.db2.gz JYUYUGRPCTZXOB-JOCHJYFZSA-N 0 1 535.018 2.976 50 30 KFEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000038140088 554262568 /nfs/dbraw/zinc/26/25/68/554262568.db2.gz JYUYUGRPCTZXOB-QFIPXVFZSA-N 0 1 535.018 2.976 50 30 KFEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000038140406 554263345 /nfs/dbraw/zinc/26/33/45/554263345.db2.gz AVPLZNYCZADGQH-CRICUBBOSA-N 0 1 538.597 2.946 50 30 KFEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000038140407 554263367 /nfs/dbraw/zinc/26/33/67/554263367.db2.gz AVPLZNYCZADGQH-SSOJOUAXSA-N 0 1 538.597 2.946 50 30 KFEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000038140408 554263353 /nfs/dbraw/zinc/26/33/53/554263353.db2.gz AVPLZNYCZADGQH-NSYGIPOTSA-N 0 1 538.597 2.946 50 30 KFEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000038140409 554263396 /nfs/dbraw/zinc/26/33/96/554263396.db2.gz AVPLZNYCZADGQH-GKVSMKOHSA-N 0 1 538.597 2.946 50 30 KFEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(Br)cc1 ZINC000038152381 554272899 /nfs/dbraw/zinc/27/28/99/554272899.db2.gz NANKJJDNBXYDCH-JOCHJYFZSA-N 0 1 578.485 2.610 50 30 KFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(Br)cc1 ZINC000038152381 554272895 /nfs/dbraw/zinc/27/28/95/554272895.db2.gz NANKJJDNBXYDCH-JOCHJYFZSA-N 0 1 578.485 2.610 50 30 KFEAMN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000038152382 554272888 /nfs/dbraw/zinc/27/28/88/554272888.db2.gz NANKJJDNBXYDCH-QFIPXVFZSA-N 0 1 578.485 2.610 50 30 KFEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000038152382 554272884 /nfs/dbraw/zinc/27/28/84/554272884.db2.gz NANKJJDNBXYDCH-QFIPXVFZSA-N 0 1 578.485 2.610 50 30 KFEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O ZINC000053308061 554335505 /nfs/dbraw/zinc/33/55/05/554335505.db2.gz QWZXMMAFZAGPJZ-QFIPXVFZSA-N 0 1 575.412 2.845 50 30 KFEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O ZINC000053308064 554335472 /nfs/dbraw/zinc/33/54/72/554335472.db2.gz QWZXMMAFZAGPJZ-JOCHJYFZSA-N 0 1 575.412 2.845 50 30 KFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)c1C ZINC000059735555 554427225 /nfs/dbraw/zinc/42/72/25/554427225.db2.gz XBYXRCJHCSPKQV-HSZRJFAPSA-N 0 1 541.601 2.736 50 30 KFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)c1C ZINC000059735560 554427418 /nfs/dbraw/zinc/42/74/18/554427418.db2.gz XBYXRCJHCSPKQV-QHCPKHFHSA-N 0 1 541.601 2.736 50 30 KFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(=O)OC)cc2)c1C ZINC000059735578 554427316 /nfs/dbraw/zinc/42/73/16/554427316.db2.gz ZYXQMSADXQQJHI-HSZRJFAPSA-N 0 1 539.585 2.505 50 30 KFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(=O)OC)cc2)c1C ZINC000059735581 554427376 /nfs/dbraw/zinc/42/73/76/554427376.db2.gz 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/nfs/dbraw/zinc/91/39/55/553913955.db2.gz CMGQDTMXRKDOEA-JOCHJYFZSA-N 0 1 534.034 2.501 50 30 KFEAMN CCCCCCCN1C(=O)NC(=O)/C(=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O ZINC000097967837 553924186 /nfs/dbraw/zinc/92/41/86/553924186.db2.gz KYGFGHYQPQFOPA-JXAXNMIRSA-N 0 1 549.628 2.681 50 30 KFEAMN CCCCCCCN1C(=O)NC(=O)/C(=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O ZINC000097967838 553924006 /nfs/dbraw/zinc/92/40/06/553924006.db2.gz KYGFGHYQPQFOPA-YEMUAQJGSA-N 0 1 549.628 2.681 50 30 KFEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000097969495 553941493 /nfs/dbraw/zinc/94/14/93/553941493.db2.gz XLZVIHAQUOMHJP-QFIPXVFZSA-N 0 1 534.034 2.501 50 30 KFEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000097969496 553941448 /nfs/dbraw/zinc/94/14/48/553941448.db2.gz XLZVIHAQUOMHJP-JOCHJYFZSA-N 0 1 534.034 2.501 50 30 KFEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1 ZINC000097969563 553942295 /nfs/dbraw/zinc/94/22/95/553942295.db2.gz BGRQRLGSYJNRSS-QFIPXVFZSA-N 0 1 578.485 2.610 50 30 KFEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000097969564 553942330 /nfs/dbraw/zinc/94/23/30/553942330.db2.gz BGRQRLGSYJNRSS-JOCHJYFZSA-N 0 1 578.485 2.610 50 30 KFEAMN COc1cc(C=NN=c2nc(N3CCCC3)[nH]c(N3CCOCC3)n2)c(Br)c(Br)c1O ZINC000097997772 554040607 /nfs/dbraw/zinc/04/06/07/554040607.db2.gz RPYFCWKNMFUBKP-SSDVNMTOSA-N 0 1 557.247 2.994 50 30 KFEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000098045734 554133578 /nfs/dbraw/zinc/13/35/78/554133578.db2.gz FHWXUAYMMRIMJF-HHHXNRCGSA-N 0 1 597.734 2.916 50 30 KFEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000098045735 554133425 /nfs/dbraw/zinc/13/34/25/554133425.db2.gz FHWXUAYMMRIMJF-MHZLTWQESA-N 0 1 597.734 2.916 50 30 KFEAMN CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)=C(O)C(=O)N2CCN(C)C ZINC000098046783 554143409 /nfs/dbraw/zinc/14/34/09/554143409.db2.gz WBDFINREQQXHHO-LJAQVGFWSA-N 0 1 566.680 2.522 50 30 KFEAMN CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)=C(O)C(=O)N2CCN(C)C ZINC000098046784 554143494 /nfs/dbraw/zinc/14/34/94/554143494.db2.gz WBDFINREQQXHHO-GDLZYMKVSA-N 0 1 566.680 2.522 50 30 KFEAMN CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)=C(O)C(=O)N2CCN(C)C ZINC000098046795 554143788 /nfs/dbraw/zinc/14/37/88/554143788.db2.gz MVVMZFVNMIEJQO-PMERELPUSA-N 0 1 580.707 2.912 50 30 KFEAMN CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)=C(O)C(=O)N2CCN(C)C ZINC000098046796 554143800 /nfs/dbraw/zinc/14/38/00/554143800.db2.gz MVVMZFVNMIEJQO-SSEXGKCCSA-N 0 1 580.707 2.912 50 30 KFEAMN C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)=C(O)C(=O)N2CCN(C)C ZINC000098046815 554143864 /nfs/dbraw/zinc/14/38/64/554143864.db2.gz XNVKAQKHXQCYQK-SSEXGKCCSA-N 0 1 578.691 2.688 50 30 KFEAMN C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)=C(O)C(=O)N2CCN(C)C ZINC000098046816 554144140 /nfs/dbraw/zinc/14/41/40/554144140.db2.gz XNVKAQKHXQCYQK-PMERELPUSA-N 0 1 578.691 2.688 50 30 KFEAMN CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)=C(O)C(=O)N2CCN(C)C ZINC000098046878 554144783 /nfs/dbraw/zinc/14/47/83/554144783.db2.gz VDUUDBMHXFRCRB-LJAQVGFWSA-N 0 1 566.680 2.522 50 30 KFEAMN CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)=C(O)C(=O)N2CCN(C)C ZINC000098046879 554144849 /nfs/dbraw/zinc/14/48/49/554144849.db2.gz VDUUDBMHXFRCRB-GDLZYMKVSA-N 0 1 566.680 2.522 50 30 KFEAMN CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)=C(O)C(=O)N2CCN(C)C ZINC000098046882 554144722 /nfs/dbraw/zinc/14/47/22/554144722.db2.gz DTAYOQMWEKEDTC-PMERELPUSA-N 0 1 580.707 2.912 50 30 KFEAMN CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)=C(O)C(=O)N2CCN(C)C ZINC000098046883 554144819 /nfs/dbraw/zinc/14/48/19/554144819.db2.gz DTAYOQMWEKEDTC-SSEXGKCCSA-N 0 1 580.707 2.912 50 30 KFEAMN C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)=C(O)C(=O)N2CCN(C)C ZINC000098046886 554144807 /nfs/dbraw/zinc/14/48/07/554144807.db2.gz GQYTVHKRFPJNGX-SSEXGKCCSA-N 0 1 578.691 2.688 50 30 KFEAMN C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)=C(O)C(=O)N2CCN(C)C ZINC000098046887 554144868 /nfs/dbraw/zinc/14/48/68/554144868.db2.gz GQYTVHKRFPJNGX-PMERELPUSA-N 0 1 578.691 2.688 50 30 KFEAMN CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)=C(O)C(=O)N2CCN(C)C ZINC000098046925 554145162 /nfs/dbraw/zinc/14/51/62/554145162.db2.gz AZXSXKVRBWXXRZ-PMERELPUSA-N 0 1 580.707 2.912 50 30 KFEAMN CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)=C(O)C(=O)N2CCN(C)C ZINC000098046926 554145145 /nfs/dbraw/zinc/14/51/45/554145145.db2.gz AZXSXKVRBWXXRZ-SSEXGKCCSA-N 0 1 580.707 2.912 50 30 KFEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000098047194 554147692 /nfs/dbraw/zinc/14/76/92/554147692.db2.gz QMOKXHOEMQWLPW-RUZDIDTESA-N 0 1 541.670 2.800 50 30 KFEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000098047195 554147684 /nfs/dbraw/zinc/14/76/84/554147684.db2.gz QMOKXHOEMQWLPW-VWLOTQADSA-N 0 1 541.670 2.800 50 30 KFEAMN COc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000098047949 554158016 /nfs/dbraw/zinc/15/80/16/554158016.db2.gz QXYXBVKWWXUIFP-AREMUKBSSA-N 0 1 569.680 2.780 50 30 KFEAMN COc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000098047950 554157976 /nfs/dbraw/zinc/15/79/76/554157976.db2.gz QXYXBVKWWXUIFP-SANMLTNESA-N 0 1 569.680 2.780 50 30 KFEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000098048202 554160549 /nfs/dbraw/zinc/16/05/49/554160549.db2.gz SZLRCAOLEKDEPJ-DENIHFKCSA-N 0 1 565.069 2.890 50 30 KFEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(Cl)cc1 ZINC000098048203 554160520 /nfs/dbraw/zinc/16/05/20/554160520.db2.gz SZLRCAOLEKDEPJ-KNQAVFIVSA-N 0 1 565.069 2.890 50 30 KFEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N([C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000098048204 554160553 /nfs/dbraw/zinc/16/05/53/554160553.db2.gz SZLRCAOLEKDEPJ-SIKLNZKXSA-N 0 1 565.069 2.890 50 30 KFEAMN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N([C@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(Cl)cc1 ZINC000098048205 554160484 /nfs/dbraw/zinc/16/04/84/554160484.db2.gz SZLRCAOLEKDEPJ-UGKGYDQZSA-N 0 1 565.069 2.890 50 30 KFEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000098050301 554173649 /nfs/dbraw/zinc/17/36/49/554173649.db2.gz UHYIBMMWRLDXQE-RUZDIDTESA-N 0 1 557.669 2.636 50 30 KFEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000098050302 554173586 /nfs/dbraw/zinc/17/35/86/554173586.db2.gz UHYIBMMWRLDXQE-VWLOTQADSA-N 0 1 557.669 2.636 50 30 KFEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000098050321 554173560 /nfs/dbraw/zinc/17/35/60/554173560.db2.gz LRJVEHKSSHKNEP-RUZDIDTESA-N 0 1 541.670 2.971 50 30 KFEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000098050322 554173598 /nfs/dbraw/zinc/17/35/98/554173598.db2.gz LRJVEHKSSHKNEP-VWLOTQADSA-N 0 1 541.670 2.971 50 30 KFEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000098050324 554173692 /nfs/dbraw/zinc/17/36/92/554173692.db2.gz SGQCXUAHADSWEA-JOCHJYFZSA-N 0 1 578.485 2.610 50 30 KFEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000098050325 554173541 /nfs/dbraw/zinc/17/35/41/554173541.db2.gz SGQCXUAHADSWEA-QFIPXVFZSA-N 0 1 578.485 2.610 50 30 KFEAMN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000098050328 554173510 /nfs/dbraw/zinc/17/35/10/554173510.db2.gz PPMAQZBEBIFAEW-RUZDIDTESA-N 0 1 634.549 2.771 50 30 KFEAMN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000098050329 554173996 /nfs/dbraw/zinc/17/39/96/554173996.db2.gz PPMAQZBEBIFAEW-VWLOTQADSA-N 0 1 634.549 2.771 50 30 KFEAMN Oc1c(Br)cc(Br)cc1C=NN=c1nc(N2CCCC2)[nH]c(N2CCOCC2)n1 ZINC000100037781 554191512 /nfs/dbraw/zinc/19/15/12/554191512.db2.gz HWEPZPPYNQRRKI-SRZZPIQSSA-N 0 1 527.221 2.985 50 30 KFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000100255238 554264093 /nfs/dbraw/zinc/26/40/93/554264093.db2.gz SGLFZCAXJBMUKK-XMMPIXPASA-N 0 1 542.585 2.640 50 30 KFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000100255243 554264110 /nfs/dbraw/zinc/26/41/10/554264110.db2.gz SGLFZCAXJBMUKK-DEOSSOPVSA-N 0 1 542.585 2.640 50 30 KFEAMN COc1c2c(cc([C@@H]3C(C(=O)c4ccc5c(c4)OCCO5)=C(O)C(=O)N3CCN3CCCC3)c1OC)OCO2 ZINC000100255727 554264131 /nfs/dbraw/zinc/26/41/31/554264131.db2.gz BQGNPVQGFRIZMG-JOCHJYFZSA-N 0 1 538.553 2.878 50 30 KFEAMN COc1c2c(cc([C@H]3C(C(=O)c4ccc5c(c4)OCCO5)=C(O)C(=O)N3CCN3CCCC3)c1OC)OCO2 ZINC000100255730 554264051 /nfs/dbraw/zinc/26/40/51/554264051.db2.gz BQGNPVQGFRIZMG-QFIPXVFZSA-N 0 1 538.553 2.878 50 30 KFEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCCC2)c(OC)c2c1OCO2 ZINC000100255755 554264134 /nfs/dbraw/zinc/26/41/34/554264134.db2.gz KMKCGUULZACSRQ-JOCHJYFZSA-N 0 1 538.553 2.878 50 30 KFEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCCC2)c(OC)c2c1OCO2 ZINC000100255758 554264099 /nfs/dbraw/zinc/26/40/99/554264099.db2.gz KMKCGUULZACSRQ-QFIPXVFZSA-N 0 1 538.553 2.878 50 30 KFEAMN COC(=O)C1=C(O)C(=CNc2ccc(NC=C3C(=O)CC(C)(C)[C@@H](C(=O)OC)C3=O)cc2)C(=O)CC1(C)C ZINC000100318956 554303925 /nfs/dbraw/zinc/30/39/25/554303925.db2.gz ZAGRNSCFOAKBED-XRFMLNKWSA-N 0 1 524.570 2.993 50 30 KFEAMN COC(=O)C1=C(O)C(=CNc2ccc(NC=C3C(=O)CC(C)(C)[C@@H](C(=O)OC)C3=O)cc2)C(=O)CC1(C)C ZINC000100318959 554303909 /nfs/dbraw/zinc/30/39/09/554303909.db2.gz ZAGRNSCFOAKBED-PYEITTPOSA-N 0 1 524.570 2.993 50 30 KFEAMN COC(=O)C1=C(O)C(=CNc2ccc(NC=C3C(=O)CC(C)(C)[C@H](C(=O)OC)C3=O)cc2)C(=O)CC1(C)C ZINC000100318962 554303942 /nfs/dbraw/zinc/30/39/42/554303942.db2.gz ZAGRNSCFOAKBED-MDBDYUHZSA-N 0 1 524.570 2.993 50 30 KFEAMN C=CCN1C(=O)NC(=O)/C(=C\c2cc(I)cc(I)c2OC)C1=O ZINC000100359920 554341617 /nfs/dbraw/zinc/34/16/17/554341617.db2.gz IRDDFRDTAGGAMZ-UXBLZVDNSA-N 0 1 538.079 2.552 50 30 KFEAMN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000100724385 554456238 /nfs/dbraw/zinc/45/62/38/554456238.db2.gz HRMBXBPRKYRNQN-RUZDIDTESA-N 0 1 590.098 2.662 50 30 KFEAMN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000100724388 554456205 /nfs/dbraw/zinc/45/62/05/554456205.db2.gz HRMBXBPRKYRNQN-VWLOTQADSA-N 0 1 590.098 2.662 50 30 KFEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1 ZINC000101101132 554588051 /nfs/dbraw/zinc/58/80/51/554588051.db2.gz DFLHEUULMFXPDC-AYWGPLOBSA-N 0 1 592.512 2.843 50 30 KFEAMN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101101133 554588068 /nfs/dbraw/zinc/58/80/68/554588068.db2.gz DFLHEUULMFXPDC-ZHHPLPSFSA-N 0 1 592.512 2.843 50 30 KFEAMN O=C(NCCCCCCO)C(F)(F)C(F)(F)O[C@@](F)(C(=O)NCCCCCCO)C(F)(F)F ZINC000102055257 554872584 /nfs/dbraw/zinc/87/25/84/554872584.db2.gz NJCXFRNRSUAAJQ-INIZCTEOSA-N 0 1 504.415 2.797 50 30 KFEAMN O=C(NCCCCCCO)C(F)(F)C(F)(F)O[C@](F)(C(=O)NCCCCCCO)C(F)(F)F ZINC000102055261 554872604 /nfs/dbraw/zinc/87/26/04/554872604.db2.gz NJCXFRNRSUAAJQ-MRXNPFEDSA-N 0 1 504.415 2.797 50 30 KFEAMN CCCC#C[C@](C)(O)C[NH2+][C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)[O-] ZINC000102321958 1059425684 /nfs/dbraw/zinc/42/56/84/1059425684.db2.gz CTCHSIJLRUXWJU-YOEHRIQHSA-N 0 1 557.166 2.741 50 30 KFEAMN CCCC#C[C@@](C)(O)C[NH2+][C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)[O-] ZINC000102321961 1059013765 /nfs/dbraw/zinc/01/37/65/1059013765.db2.gz CTCHSIJLRUXWJU-WMLDXEAASA-N 0 1 557.166 2.741 50 30 KFEAMN CCCC#C[C@](C)(O)C[NH2+][C@H](Cc1cc(I)c(O)c(I)c1)C(=O)[O-] ZINC000102321964 1059013928 /nfs/dbraw/zinc/01/39/28/1059013928.db2.gz CTCHSIJLRUXWJU-PBHICJAKSA-N 0 1 557.166 2.741 50 30 KFEAMN CCCC#C[C@@](C)(O)C[NH2+][C@H](Cc1cc(I)c(O)c(I)c1)C(=O)[O-] ZINC000102321966 1059014137 /nfs/dbraw/zinc/01/41/37/1059014137.db2.gz CTCHSIJLRUXWJU-RHSMWYFYSA-N 0 1 557.166 2.741 50 30 KFEAMN CCCCNS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)NCCCC)cc1[N+](=O)[O-])C2=NO ZINC000102415279 554924543 /nfs/dbraw/zinc/92/45/43/554924543.db2.gz GDOLQXVUDNBBFP-UHFFFAOYSA-N 0 1 555.591 2.867 50 30 KFEAMN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102499747 554942317 /nfs/dbraw/zinc/94/23/17/554942317.db2.gz AAHFQEFVAXVDAV-BUANBSPESA-N 0 1 505.531 2.695 50 30 KFEAMN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102499757 554942188 /nfs/dbraw/zinc/94/21/88/554942188.db2.gz AAHFQEFVAXVDAV-COUQNMRISA-N 0 1 505.531 2.695 50 30 KFEAMN COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000102508574 554945557 /nfs/dbraw/zinc/94/55/57/554945557.db2.gz OCTLVRGHRPHAAO-UVDRRRQGSA-N 0 1 520.586 2.804 50 30 KFEAMN COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000102508583 554945525 /nfs/dbraw/zinc/94/55/25/554945525.db2.gz OCTLVRGHRPHAAO-ZZIWUOEGSA-N 0 1 520.586 2.804 50 30 KFEAMN COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000102510670 554946290 /nfs/dbraw/zinc/94/62/90/554946290.db2.gz RCDIUFKAHONCAL-HOGKFDNTSA-N 0 1 500.523 2.605 50 30 KFEAMN COc1cccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)C(=O)C(=O)N2CCN2CCOCC2)c1OC ZINC000102512144 554946594 /nfs/dbraw/zinc/94/65/94/554946594.db2.gz REMIPRWEYUCJGU-BUANBSPESA-N 0 1 520.586 2.722 50 30 KFEAMN COc1cccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)C(=O)C(=O)N2CCN2CCOCC2)c1OC ZINC000102512151 554946496 /nfs/dbraw/zinc/94/64/96/554946496.db2.gz REMIPRWEYUCJGU-COUQNMRISA-N 0 1 520.586 2.722 50 30 KFEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102514194 554947211 /nfs/dbraw/zinc/94/72/11/554947211.db2.gz CVAOCSMYEQTDCC-QKJBWNOYSA-N 0 1 520.586 2.804 50 30 KFEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102514204 554947276 /nfs/dbraw/zinc/94/72/76/554947276.db2.gz CVAOCSMYEQTDCC-KQAPWQHSSA-N 0 1 520.586 2.804 50 30 KFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)c1C ZINC000102517781 554948774 /nfs/dbraw/zinc/94/87/74/554948774.db2.gz JMUAMRXDRRZERS-BUANBSPESA-N 0 1 511.575 2.571 50 30 KFEAMN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)c1C ZINC000102517791 554948724 /nfs/dbraw/zinc/94/87/24/554948724.db2.gz JMUAMRXDRRZERS-COUQNMRISA-N 0 1 511.575 2.571 50 30 KFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2)c1C ZINC000102519935 554949368 /nfs/dbraw/zinc/94/93/68/554949368.db2.gz MAXNRGIRISNCPM-UVDRRRQGSA-N 0 1 525.602 2.961 50 30 KFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2)c1C ZINC000102519942 554949351 /nfs/dbraw/zinc/94/93/51/554949351.db2.gz MAXNRGIRISNCPM-ZZIWUOEGSA-N 0 1 525.602 2.961 50 30 KFEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102530067 554953461 /nfs/dbraw/zinc/95/34/61/554953461.db2.gz KYFQSNGWTWOCPM-JBCNATCCSA-N 0 1 529.387 2.990 50 30 KFEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102530077 554953484 /nfs/dbraw/zinc/95/34/84/554953484.db2.gz KYFQSNGWTWOCPM-MRJHHRETSA-N 0 1 529.387 2.990 50 30 KFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1C ZINC000102533425 554954820 /nfs/dbraw/zinc/95/48/20/554954820.db2.gz KZBKVFHJASDNOR-HFEWCJDKSA-N 0 1 529.590 2.817 50 30 KFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1C ZINC000102533432 554954702 /nfs/dbraw/zinc/95/47/02/554954702.db2.gz KZBKVFHJASDNOR-IAMBOQNYSA-N 0 1 529.590 2.817 50 30 KFEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102540068 554956997 /nfs/dbraw/zinc/95/69/97/554956997.db2.gz AFTDNBKGIQVZAS-WZLGSTDNSA-N 0 1 506.555 2.551 50 30 KFEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102540074 554957022 /nfs/dbraw/zinc/95/70/22/554957022.db2.gz AFTDNBKGIQVZAS-VAGBDARLSA-N 0 1 506.555 2.551 50 30 KFEAMN COc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102542688 554958077 /nfs/dbraw/zinc/95/80/77/554958077.db2.gz RDLBYTGVDFDLLE-IUKMQXEJSA-N 0 1 502.571 2.943 50 30 KFEAMN COc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102542697 554958210 /nfs/dbraw/zinc/95/82/10/554958210.db2.gz RDLBYTGVDFDLLE-NPJIAGGLSA-N 0 1 502.571 2.943 50 30 KFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(OC)c1 ZINC000102546094 554959056 /nfs/dbraw/zinc/95/90/56/554959056.db2.gz TVXMYCSKKIRTOA-ZHHPLPSFSA-N 0 1 514.600 2.938 50 30 KFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(OC)c1 ZINC000102546104 554959085 /nfs/dbraw/zinc/95/90/85/554959085.db2.gz TVXMYCSKKIRTOA-AYWGPLOBSA-N 0 1 514.600 2.938 50 30 KFEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O ZINC000102550401 554961340 /nfs/dbraw/zinc/96/13/40/554961340.db2.gz JWHUMJSOOGMNAI-HOGKFDNTSA-N 0 1 575.412 2.688 50 30 KFEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O ZINC000102550408 554961269 /nfs/dbraw/zinc/96/12/69/554961269.db2.gz JWHUMJSOOGMNAI-MOBKVPTQSA-N 0 1 575.412 2.688 50 30 KFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102552926 554962826 /nfs/dbraw/zinc/96/28/26/554962826.db2.gz KBEBQWKYUJQNGD-ZHHPLPSFSA-N 0 1 530.599 2.644 50 30 KFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102552933 554962870 /nfs/dbraw/zinc/96/28/70/554962870.db2.gz KBEBQWKYUJQNGD-AYWGPLOBSA-N 0 1 530.599 2.644 50 30 KFEAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(O)cc2)cc1 ZINC000102557472 554965232 /nfs/dbraw/zinc/96/52/32/554965232.db2.gz GHXVADICSBHRLC-MOBKVPTQSA-N 0 1 502.589 2.881 50 30 KFEAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102557479 554965243 /nfs/dbraw/zinc/96/52/43/554965243.db2.gz GHXVADICSBHRLC-HOGKFDNTSA-N 0 1 502.589 2.881 50 30 KFEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000102558450 554965872 /nfs/dbraw/zinc/96/58/72/554965872.db2.gz NHLVOADBWLDXOS-ZHHPLPSFSA-N 0 1 532.615 2.802 50 30 KFEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000102558458 554965797 /nfs/dbraw/zinc/96/57/97/554965797.db2.gz NHLVOADBWLDXOS-AYWGPLOBSA-N 0 1 532.615 2.802 50 30 KFEAMN CCCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2CCN(C)C ZINC000102598470 554977379 /nfs/dbraw/zinc/97/73/79/554977379.db2.gz WNEKVDXVBROIAH-PWBNPAGMSA-N 0 1 505.571 2.742 50 30 KFEAMN CCCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2CCN(C)C ZINC000102598474 554977514 /nfs/dbraw/zinc/97/75/14/554977514.db2.gz WNEKVDXVBROIAH-LYJWTBIJSA-N 0 1 505.571 2.742 50 30 KFEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102650050 554995292 /nfs/dbraw/zinc/99/52/92/554995292.db2.gz AFTDNBKGIQVZAS-IYGWJSLMSA-N 0 1 506.555 2.551 50 30 KFEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102650052 554995308 /nfs/dbraw/zinc/99/53/08/554995308.db2.gz AFTDNBKGIQVZAS-GOBYDPEUSA-N 0 1 506.555 2.551 50 30 KFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c1C ZINC000102864104 555093858 /nfs/dbraw/zinc/09/38/58/555093858.db2.gz DAQVHXOTYAVCJO-QKJBWNOYSA-N 0 1 555.628 2.969 50 30 KFEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c1C ZINC000102864106 555093837 /nfs/dbraw/zinc/09/38/37/555093837.db2.gz DAQVHXOTYAVCJO-KQAPWQHSSA-N 0 1 555.628 2.969 50 30 KFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102864894 555094514 /nfs/dbraw/zinc/09/45/14/555094514.db2.gz FEOUJKKFDGCYQG-NXLSWJSLSA-N 0 1 526.586 2.783 50 30 KFEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102864896 555094565 /nfs/dbraw/zinc/09/45/65/555094565.db2.gz FEOUJKKFDGCYQG-SBXHHDGASA-N 0 1 526.586 2.783 50 30 KFEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000102866527 555095707 /nfs/dbraw/zinc/09/57/07/555095707.db2.gz ZHNOCHCCZUOUIX-UVDRRRQGSA-N 0 1 520.586 2.722 50 30 KFEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000102866529 555095736 /nfs/dbraw/zinc/09/57/36/555095736.db2.gz ZHNOCHCCZUOUIX-ZZIWUOEGSA-N 0 1 520.586 2.722 50 30 KFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(OC)cc1 ZINC000102870047 555100110 /nfs/dbraw/zinc/10/01/10/555100110.db2.gz GAVYMOIDGOGGCC-ZHHPLPSFSA-N 0 1 514.600 2.938 50 30 KFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000102870050 555100178 /nfs/dbraw/zinc/10/01/78/555100178.db2.gz GAVYMOIDGOGGCC-AYWGPLOBSA-N 0 1 514.600 2.938 50 30 KFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102871440 555102185 /nfs/dbraw/zinc/10/21/85/555102185.db2.gz AEXRJOTZZUKOAD-SBXHHDGASA-N 0 1 528.627 2.899 50 30 KFEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102871447 555102232 /nfs/dbraw/zinc/10/22/32/555102232.db2.gz AEXRJOTZZUKOAD-NXLSWJSLSA-N 0 1 528.627 2.899 50 30 KFEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102876046 555105913 /nfs/dbraw/zinc/10/59/13/555105913.db2.gz GNFNRUNLILKCRG-UVDRRRQGSA-N 0 1 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