smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@H]1C([O-])=NC(N2CCN(c3ccc(OC)cc3)CC2)=[NH+][C@H]1c1ccco1 ZINC000019818145 558288454 /nfs/dbraw/zinc/28/84/54/558288454.db2.gz MVZVRFZXHYSXFJ-ROUUACIJSA-N 0 0 412.446 1.427 40 10 HDCBRN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000030856639 558741044 /nfs/dbraw/zinc/74/10/44/558741044.db2.gz AEAHXCYVDGRWDJ-GOSISDBHSA-N 0 0 408.568 1.812 40 10 HDCBRN Cc1ccnc([N-]S(=O)(=O)c2ccc(/N=N\c3c(N)nc(N)nc3N)cc2)n1 ZINC000104090384 559157862 /nfs/dbraw/zinc/15/78/62/559157862.db2.gz QOAAXULFSSJTQK-VHXPQNKSSA-N 0 0 400.428 1.538 40 10 HDCBRN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 ZINC000033527153 559203026 /nfs/dbraw/zinc/20/30/26/559203026.db2.gz JENNURSIWWNZJG-MJWAUXSNSA-N 0 0 414.555 1.766 40 10 HDCBRN C[C@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000033538525 559207298 /nfs/dbraw/zinc/20/72/98/559207298.db2.gz UQGDQBYMMKVNTA-BPWHYHOLSA-N 0 0 408.526 1.703 40 10 HDCBRN CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409011691 560665622 /nfs/dbraw/zinc/66/56/22/560665622.db2.gz HEHBMLRQOAWOAT-UHFFFAOYSA-N 0 0 419.430 1.542 40 10 HDCBRN CCOc1cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)ccc1OCC(N)=O ZINC000409199323 560692214 /nfs/dbraw/zinc/69/22/14/560692214.db2.gz BZFRXFCOFYUXJJ-UHFFFAOYSA-N 0 0 405.476 1.328 40 10 HDCBRN COC(=O)CN1C(=O)C(=Cc2cc(Br)c(OC)cc2OC)NC1=S ZINC000409202821 560693472 /nfs/dbraw/zinc/69/34/72/560693472.db2.gz SQKUVDVPOBZMRY-YHYXMXQVSA-N 0 0 415.265 1.697 40 10 HDCBRN C[C@@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000062825014 560857647 /nfs/dbraw/zinc/85/76/47/560857647.db2.gz CHJGTWWHJNTCPL-RUJTVUFUSA-N 0 0 414.555 1.765 40 10 HDCBRN COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(CN(Cc4ccccc4O)C3)C2)cc1 ZINC000604381773 568489298 /nfs/dbraw/zinc/48/92/98/568489298.db2.gz NVBYYWBHJNQILA-HXUWFJFHSA-N 0 0 423.513 1.812 40 10 biogenic,in-vitro HDCBRN CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(Br)o3)C2=N)S1 ZINC000041077723 525098947 /nfs/dbraw/zinc/09/89/47/525098947.db2.gz MCCJCJDIDPFTNW-JGDZXVCDSA-N 0 0 403.239 1.663 40 10 HDCBRN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)[O-])[NH2+][C@H](c4ccccc4O)[C@H]3C2=O)cc1 ZINC000035876518 557646886 /nfs/dbraw/zinc/64/68/86/557646886.db2.gz ZZRTYDXLUMXEMY-MLHJIOFPSA-N 0 0 424.409 1.472 40 10 HDCBRN COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@]1(O)C[C@H]3O[C@@]1(C)OC ZINC000005437624 557653486 /nfs/dbraw/zinc/65/34/86/557653486.db2.gz MUMBPBZURIYBJJ-WLERDACDSA-N 0 0 412.394 1.993 40 10 HDCBRN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)N[C@H]1CCS(=O)(=O)C1 ZINC000033545459 559209472 /nfs/dbraw/zinc/20/94/72/559209472.db2.gz WZNJTIFEHRNSFA-GJSJWPQCSA-N 0 0 414.530 1.564 40 10 HDCBRN COc1cccc([C@H]2[NH2+][C@@](Cc3ccccc3)(C(=O)[O-])[C@@H]3C(=O)N(C)C(=O)[C@H]32)c1O ZINC000096299587 560559451 /nfs/dbraw/zinc/55/94/51/560559451.db2.gz WSXGKZNFMSEMLJ-MPWIWIEXSA-N 0 0 410.426 1.342 40 10 HDCBRN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 ZINC000408786330 560641747 /nfs/dbraw/zinc/64/17/47/560641747.db2.gz PNUGFMKZXBVYQJ-IUPCOXQMSA-N 0 0 400.431 1.402 40 10 HDCBRN COc1cccc([C@@H]2[NH2+][C@@](CC(C)C)(C(=O)[O-])[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O ZINC000004581123 560898438 /nfs/dbraw/zinc/89/84/38/560898438.db2.gz RJZPGXCJJLRMQE-VCAMNPENSA-N 0 0 404.463 1.924 40 10 HDCBRN COc1ccc(N(C)CCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000225091530 568613848 /nfs/dbraw/zinc/61/38/48/568613848.db2.gz FIASWQNODBRRKD-UHFFFAOYSA-N 0 0 417.487 1.763 40 10 HDCBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC000225251291 568625864 /nfs/dbraw/zinc/62/58/64/568625864.db2.gz MRPRTANLUBYSSY-UHFFFAOYSA-N 0 0 417.531 1.601 40 10 HDCBRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1C ZINC000575421642 569026022 /nfs/dbraw/zinc/02/60/22/569026022.db2.gz KLKZLMZLTHXJPD-MSOLQXFVSA-N 0 0 410.517 1.239 40 10 HDCBRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)[C@H]2CS(=O)(=O)C[C@@H]2O)c(C)c1 ZINC000575425774 569026977 /nfs/dbraw/zinc/02/69/77/569026977.db2.gz WGHJNNQRFNAQJJ-IRXDYDNUSA-N 0 0 410.517 1.239 40 10 HDCBRN C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(N(C)CCO)cc2)C3)C1 ZINC000012117817 132354340 /nfs/dbraw/zinc/35/43/40/132354340.db2.gz VYNMRTLPRJZESW-KRWDZBQOSA-N 0 0 411.550 1.993 40 10 HDCBRN CC(C)CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(O)c(O)c3)C2=N)S1 ZINC000041085297 519766467 /nfs/dbraw/zinc/76/64/67/519766467.db2.gz IUVFRROIASFEGE-SPHOJFBGSA-N 0 0 408.461 1.745 40 10 HDCBRN CN1C(=O)C(=CNNc2ccc(I)cc2)C(=O)N(C)C1=O ZINC000408534866 557324226 /nfs/dbraw/zinc/32/42/26/557324226.db2.gz RNUCQHOSNKSJJF-UHFFFAOYSA-N 0 0 400.176 1.142 40 10 HDCBRN COC(=O)[C@H]1C([O-])=NC(N2CCN(c3ccc(OC)cc3)CC2)=[NH+][C@@H]1c1ccco1 ZINC000019818141 558288451 /nfs/dbraw/zinc/28/84/51/558288451.db2.gz MVZVRFZXHYSXFJ-QZTJIDSGSA-N 0 0 412.446 1.427 40 10 HDCBRN COc1ccc(N2CCN(C(=O)CN3CCC(Oc4cnccn4)CC3)CC2)cc1 ZINC000019658139 558950263 /nfs/dbraw/zinc/95/02/63/558950263.db2.gz FZPJAJUXDJVYKY-UHFFFAOYSA-N 0 0 411.506 1.677 40 10 HDCBRN CC(=O)NC[C@@H]1O[C@H](OCc2ccccc2)[C@H](NC(C)=O)[C@@H](N=[N+]=[N-])[C@@H]1N=[N+]=[N-] ZINC000257347894 559014427 /nfs/dbraw/zinc/01/44/27/559014427.db2.gz YLAWLPSTXRACLD-NNXHMXCWSA-N 0 0 402.415 1.927 40 10 HDCBRN Cc1cc([N-]S(=O)(=O)c2ccc(NN=C3C(=O)N=C(N)N=C3N)cc2)nc(C)n1 ZINC000104090418 559157813 /nfs/dbraw/zinc/15/78/13/559157813.db2.gz RQJSHGPZNYSFHQ-VHXPQNKSSA-N 0 0 415.439 1.970 40 10 HDCBRN COc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409012445 560665644 /nfs/dbraw/zinc/66/56/44/560665644.db2.gz KCSLXGQYCHYQMK-UHFFFAOYSA-N 0 0 405.403 1.152 40 10 HDCBRN COc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1 ZINC000103596463 560843572 /nfs/dbraw/zinc/84/35/72/560843572.db2.gz CTFRSMCCTGNKFV-IUUVDYQKSA-N 0 0 413.459 1.563 40 10 HDCBRN Cn1cnnc1Sc1ccc([N+](=O)[O-])cc1C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000059488635 568707886 /nfs/dbraw/zinc/70/78/86/568707886.db2.gz PIXXXLNIKHLRHW-UHFFFAOYSA-N 0 0 402.392 1.308 40 10 HDCBRN Nc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2[N-]C(=O)C(Cl)(Cl)Cl)cc1 ZINC000575420454 569025955 /nfs/dbraw/zinc/02/59/55/569025955.db2.gz ISDJTJZMFPAUTD-WDEREUQCSA-N 0 0 400.715 1.010 40 10 HDCBRN COc1ccc(C(=O)CN(c2ccc(N)cc2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1OC ZINC000575424997 569026786 /nfs/dbraw/zinc/02/67/86/569026786.db2.gz WONRAIOUFRNEAU-WMZOPIPTSA-N 0 0 420.487 1.133 40 10 HDCBRN CC(C)c1ccc(S(=O)(=O)N(c2ccc(N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575425088 569026844 /nfs/dbraw/zinc/02/68/44/569026844.db2.gz XFUOWWZUDFCQIA-MOPGFXCFSA-N 0 0 424.544 1.745 40 10 HDCBRN Cc1ccc(C)c(S(=O)(=O)N(c2ccc(N)cc2)[C@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000575426618 569027227 /nfs/dbraw/zinc/02/72/27/569027227.db2.gz WXVSBSVTIJBZEB-IRXDYDNUSA-N 0 0 410.517 1.239 40 10 HDCBRN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C(=O)[O-])[NH2+][C@H](c4ccccc4O)[C@H]3C2=O)cc1 ZINC000102778887 559152717 /nfs/dbraw/zinc/15/27/17/559152717.db2.gz ZZRTYDXLUMXEMY-BSDSXHPESA-N 0 0 424.409 1.472 40 10 HDCBRN COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O ZINC000409212415 560695666 /nfs/dbraw/zinc/69/56/66/560695666.db2.gz MBYZLPHATQBHOI-LGMDPLHJSA-N 0 0 419.503 1.712 40 10 HDCBRN COc1ccc(N2CCN(C(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)CC2)cc1 ZINC000223220531 568541348 /nfs/dbraw/zinc/54/13/48/568541348.db2.gz LOADRXSLSMANHB-FQEVSTJZSA-N 0 0 417.531 1.977 40 10 HDCBRN COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OC(C)=O ZINC000002773058 568932003 /nfs/dbraw/zinc/93/20/03/568932003.db2.gz HUPYJBTVCXIQGZ-UHFFFAOYSA-N 0 0 411.208 1.817 40 10 HDCBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)N[C@@H]3CSC[C@H]3O)C2=O)cc1 ZINC000054361047 569072319 /nfs/dbraw/zinc/07/23/19/569072319.db2.gz JVMVQDJWPNFVLD-PETVBWCUSA-N 0 0 410.542 1.489 40 10 HDCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\C1=c2ccccc2=CC[C@H]1O ZINC000100276677 557751753 /nfs/dbraw/zinc/75/17/53/557751753.db2.gz ZIVQSFSFSOWIFR-ZPWPBLDLSA-N 0 0 401.462 1.798 40 10 HDCBRN C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000013646723 558557073 /nfs/dbraw/zinc/55/70/73/558557073.db2.gz YXUCXRJUMDGLKK-QGZVFWFLSA-N 0 0 417.531 1.994 40 10 HDCBRN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000013646725 558557090 /nfs/dbraw/zinc/55/70/90/558557090.db2.gz YXUCXRJUMDGLKK-KRWDZBQOSA-N 0 0 417.531 1.994 40 10 HDCBRN O=C(C1CC1)N(CCN1CCOCC1)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000019346163 558873314 /nfs/dbraw/zinc/87/33/14/558873314.db2.gz YXMIRIYFSUEHIQ-UHFFFAOYSA-N 0 0 401.507 1.955 40 10 HDCBRN CC(=O)NN1C(=O)C(=Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S ZINC000102740083 559152463 /nfs/dbraw/zinc/15/24/63/559152463.db2.gz RKSPVLXEVXOZQN-NSIKDUERSA-N 0 0 403.441 1.964 40 10 HDCBRN COC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(C)C2=O)cc1Cl ZINC000408908459 560652729 /nfs/dbraw/zinc/65/27/29/560652729.db2.gz CPTDKSWZDXMQRF-FPYGCLRLSA-N 0 0 403.243 1.802 40 10 HDCBRN COC(=O)COc1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1OC ZINC000409210591 560694867 /nfs/dbraw/zinc/69/48/67/560694867.db2.gz JSCSVSBLYNHQME-QPEQYQDCSA-N 0 0 411.457 1.621 40 10 HDCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)NCCOC)c3ccccc23)C(=O)NC1=S ZINC000006630139 560744583 /nfs/dbraw/zinc/74/45/83/560744583.db2.gz OPEHOUVYKODUBB-XNTDXEJSSA-N 0 0 414.487 1.051 40 10 HDCBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000010113352 560764244 /nfs/dbraw/zinc/76/42/44/560764244.db2.gz CIRABLGSFYBLIV-UHFFFAOYSA-N 0 0 421.494 1.745 40 10 HDCBRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)[C@@H]2CS(=O)(=O)C[C@H]2O)c(C)c1 ZINC000575425773 569027000 /nfs/dbraw/zinc/02/70/00/569027000.db2.gz WGHJNNQRFNAQJJ-IAGOWNOFSA-N 0 0 410.517 1.239 40 10 HDCBRN COc1ccccc1/C=C1\SC(=S)N(CC(=O)N[C@@H]2CSC[C@@H]2O)C1=O ZINC000054360882 569072304 /nfs/dbraw/zinc/07/23/04/569072304.db2.gz DLLHUXSEOKCFML-OYPJRYJSSA-N 0 0 410.542 1.489 40 10 HDCBRN COc1ccc(N2CCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000047340723 569352220 /nfs/dbraw/zinc/35/22/20/569352220.db2.gz FBRKFAUSIOWETO-UHFFFAOYSA-N 0 0 403.504 1.624 40 10 HDCBRN S=C(NN=c1nc(N2CCCC2)nc(N2CCOCC2)[nH]1)Nc1ccccc1 ZINC000408725647 557779684 /nfs/dbraw/zinc/77/96/84/557779684.db2.gz NCGYDHNUPOHQLZ-UHFFFAOYSA-N 0 0 400.512 1.622 40 10 HDCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(N)=O ZINC000013547131 558538067 /nfs/dbraw/zinc/53/80/67/558538067.db2.gz XWSQEAKJTHJQJT-IYVNWDGISA-N 0 0 408.501 1.940 40 10 HDCBRN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000409208301 560691835 /nfs/dbraw/zinc/69/18/35/560691835.db2.gz ALUVIBZBNPXZOS-XNTDXEJSSA-N 0 0 408.501 1.764 40 10 HDCBRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000020150485 560881662 /nfs/dbraw/zinc/88/16/62/560881662.db2.gz LULWQHAMBIMVJO-ZFCANOHDSA-N 0 0 405.520 1.293 40 10 HDCBRN Cc1cc(C)c(S(=O)(=O)N(c2ccc(N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1C ZINC000575422057 569026049 /nfs/dbraw/zinc/02/60/49/569026049.db2.gz LWNRUXDWSOKVEP-MSOLQXFVSA-N 0 0 424.544 1.547 40 10 HDCBRN Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000575422819 569026261 /nfs/dbraw/zinc/02/62/61/569026261.db2.gz CJMVRJSQBWAXFL-HZPDHXFCSA-N 0 0 416.908 1.275 40 10 HDCBRN COc1cccc(/C=C2\SC(=S)N(CC(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)c1 ZINC000033558568 559209934 /nfs/dbraw/zinc/20/99/34/559209934.db2.gz XALJGRMCLDZFSQ-QENILXLESA-N 0 0 424.525 1.323 40 10 HDCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(Sc2ncccn2)o1 ZINC000409092574 560674449 /nfs/dbraw/zinc/67/44/49/560674449.db2.gz XBWAVDGENUOJLM-UHFFFAOYSA-N 0 0 411.262 1.898 40 10 HDCBRN COCCNC(=O)Cn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 ZINC000006287794 560740977 /nfs/dbraw/zinc/74/09/77/560740977.db2.gz YTTFVZMETNQPNF-UHFFFAOYSA-N 0 0 414.487 1.003 40 10 HDCBRN COC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O ZINC000106744639 560745974 /nfs/dbraw/zinc/74/59/74/560745974.db2.gz QZSICQXZMCBPDW-ZROIWOOFSA-N 0 0 407.404 1.641 40 10 HDCBRN CN(c1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O ZINC000010113386 560764309 /nfs/dbraw/zinc/76/43/09/560764309.db2.gz QRKBRFPNLBJWBY-UHFFFAOYSA-N 0 0 403.504 1.849 40 10 HDCBRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000012496047 560781011 /nfs/dbraw/zinc/78/10/11/560781011.db2.gz LULWQHAMBIMVJO-QCBUCWTNSA-N 0 0 405.520 1.293 40 10 HDCBRN CN1C(=O)/C(=c2/s/c(=C3/Sc4ccccc4N3C)c(=O)n2C)SC1=S ZINC000003118561 568856598 /nfs/dbraw/zinc/85/65/98/568856598.db2.gz CQBULWOPDQTAON-HYQBVQLESA-N 0 0 407.567 1.353 40 10 HDCBRN COc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 ZINC000199281457 569361324 /nfs/dbraw/zinc/36/13/24/569361324.db2.gz CWQHIGFGAZOTAL-UHFFFAOYSA-N 0 0 411.439 1.627 40 10 HDCBRN CN1C(=O)C(=Cc2ccc(Sc3nnnn3-c3ccccc3)o2)C(=O)N(C)C1=O ZINC000006878787 560634527 /nfs/dbraw/zinc/63/45/27/560634527.db2.gz ZUYUTZJHPVBZIU-UHFFFAOYSA-N 0 0 410.415 1.840 40 10 HDCBRN COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O ZINC000409201203 560692930 /nfs/dbraw/zinc/69/29/30/560692930.db2.gz KOJCWPDMRQGKOW-VBKFSLOCSA-N 0 0 405.476 1.322 40 10 HDCBRN Cc1ccc(NC(=O)COC(=O)c2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 ZINC000409209403 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568783259 /nfs/dbraw/zinc/78/32/59/568783259.db2.gz FAEKGBNIQFMZSU-XFKSJGNHSA-N 0 0 407.474 1.322 40 10 HDCBRN Cc1cc(C)c(S(=O)(=O)N(c2ccc(N)cc2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1C ZINC000575422068 569026050 /nfs/dbraw/zinc/02/60/50/569026050.db2.gz LWNRUXDWSOKVEP-ZWKOTPCHSA-N 0 0 424.544 1.547 40 10 HDCBRN COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000231643658 569288692 /nfs/dbraw/zinc/28/86/92/569288692.db2.gz LULWQHAMBIMVJO-AXHMDWHKSA-N 0 0 405.520 1.293 40 10 HDCBRN COc1ccc(N2CCN(C(=O)c3ccc(OC)c(S(N)(=O)=O)c3)CC2)cc1 ZINC000007499687 132324885 /nfs/dbraw/zinc/32/48/85/132324885.db2.gz HWQLDTMGELLUQH-UHFFFAOYSA-N 0 0 405.476 1.314 40 10 HDCBRN COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000020150483 558340577 /nfs/dbraw/zinc/34/05/77/558340577.db2.gz LULWQHAMBIMVJO-ZKNHNOBHSA-N 0 0 405.520 1.293 40 10 HDCBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000013667895 558560085 /nfs/dbraw/zinc/56/00/85/558560085.db2.gz 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