smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC1S/C(=N/N=C/c2cccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)NC1=O ZINC000009090629 521253324 /nfs/dbraw/zinc/25/33/24/521253324.db2.gz AYKLEBGLLGJQPE-PPRFWAEMSA-N 0 1 490.563 3.783 40 30 JHEBMN Cc1ccc(C)c(C(O)=CC2SC(=NNC3=NC(=O)SC3)N(Cc3ccco3)C2=O)c1 ZINC000016779537 526258400 /nfs/dbraw/zinc/25/84/00/526258400.db2.gz XTBNKKVBFBZNLK-OVJLLXBISA-N 0 1 456.549 3.739 40 30 JHEBMN COc1ccc(NN=C(C#N)C(=O)NC2CCCCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000013148223 555348591 /nfs/dbraw/zinc/34/85/91/555348591.db2.gz XODOCLFJBPYIFU-ZXVVBBHZSA-N 0 1 489.985 3.890 40 30 JHEBMN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000107746914 569857236 /nfs/dbraw/zinc/85/72/36/569857236.db2.gz OKQSBYFCTQOUAS-GZTJUZNOSA-N 0 1 454.935 3.754 40 30 JHEBMN C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OCCSc3ccc(C)cc3)c(OC)c2)C1=O ZINC000113830493 569862033 /nfs/dbraw/zinc/86/20/33/569862033.db2.gz DYOYLTZJKBMDBB-RGEXLXHISA-N 0 1 452.532 3.823 40 30 JHEBMN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccc(NC(C)=O)cc3)n[nH]2)c(C#N)c1C ZINC000408639117 569988150 /nfs/dbraw/zinc/98/81/50/569988150.db2.gz VFZZPYXHPWXAOP-UHFFFAOYSA-N 0 1 484.563 3.579 40 30 JHEBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(I)c1 ZINC000408740036 570031782 /nfs/dbraw/zinc/03/17/82/570031782.db2.gz CPDZNHXRJAKZPJ-IEEVUCOHSA-N 0 1 483.718 3.711 40 30 JHEBMN CCOC(=O)c1c(C)c(C)sc1NC=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000408742673 570032680 /nfs/dbraw/zinc/03/26/80/570032680.db2.gz RZOWBMUVPKKRCL-BMZJSHLCSA-N 0 1 463.968 3.961 40 30 JHEBMN Cc1ccc(N2C(=O)C(=CNc3ccc(I)cc3C)C(=O)NC2=S)cc1 ZINC000408763931 570037581 /nfs/dbraw/zinc/03/75/81/570037581.db2.gz GMKHYQVXFJSUKG-SBUZPKSBSA-N 0 1 477.327 3.674 40 30 JHEBMN CCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000408905828 570070681 /nfs/dbraw/zinc/07/06/81/570070681.db2.gz FIJLSWJZXKTBJX-XVURBDKZSA-N 0 1 457.464 3.720 40 30 JHEBMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(Br)c(OCC#N)c(OC)c1 ZINC000408985499 570092078 /nfs/dbraw/zinc/09/20/78/570092078.db2.gz MLJOQDWLFJVVDX-IBGZPJMESA-N 0 1 486.322 3.688 40 30 JHEBMN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000409327186 570202537 /nfs/dbraw/zinc/20/25/37/570202537.db2.gz QVYYTDJUAMONEG-UHFFFAOYSA-N 0 1 461.272 3.616 40 30 JHEBMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)c(OC)c1 ZINC000016741628 525390714 /nfs/dbraw/zinc/39/07/14/525390714.db2.gz ZQYFALOTDQCFPJ-KFSOKAEPSA-N 0 1 479.529 3.785 40 30 JHEBMN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc([N+](=O)[O-])c1O ZINC000001131076 553914427 /nfs/dbraw/zinc/91/44/27/553914427.db2.gz FEIKXXBNXGLLGN-ZPDQPEGFSA-N 0 1 467.478 3.930 40 30 JHEBMN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000013387760 555393777 /nfs/dbraw/zinc/39/37/77/555393777.db2.gz PCUVEZUCSRWRGP-NRFANRHFSA-N 0 1 467.909 3.919 40 30 JHEBMN CCOc1cc([N+](=O)[O-])cc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1O ZINC000408724886 570027900 /nfs/dbraw/zinc/02/79/00/570027900.db2.gz BZIOUCPFBWGZQQ-MFKUBSTISA-N 0 1 486.492 3.661 40 30 JHEBMN Cc1ccc(N2C(=O)C(=CNc3ccc(I)cc3C)C(=O)NC2=S)cc1 ZINC000408763930 570037607 /nfs/dbraw/zinc/03/76/07/570037607.db2.gz GMKHYQVXFJSUKG-LKKXKRCMSA-N 0 1 477.327 3.674 40 30 JHEBMN C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000409068820 570117478 /nfs/dbraw/zinc/11/74/78/570117478.db2.gz ITXCWVSEHDXHIS-UHFFFAOYSA-N 0 1 485.334 3.905 40 30 JHEBMN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc1OC ZINC000409141299 570144707 /nfs/dbraw/zinc/14/47/07/570144707.db2.gz UZOAMEDBHRJOGT-CPNJWEJPSA-N 0 1 480.517 3.719 40 30 JHEBMN C=C(C)CN1c2ccccc2[C@@]2(N[C@@H](CC(C)C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000015319932 518606561 /nfs/dbraw/zinc/60/65/61/518606561.db2.gz OYWJODSMLODSRH-ZSSMMQHUSA-N 0 1 457.574 3.624 40 30 JHEBMN Oc1c(I)cc(I)cc1/C=N\N=C/c1ccco1 ZINC000008637385 526331450 /nfs/dbraw/zinc/33/14/50/526331450.db2.gz OSPLYYWMKLKNQD-JYNHMFOOSA-N 0 1 466.016 3.647 40 30 JHEBMN N#Cc1cccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000015676038 555936049 /nfs/dbraw/zinc/93/60/49/555936049.db2.gz SHWQQDJKEREXHN-IBGZPJMESA-N 0 1 456.422 3.571 40 30 biogenic,in-vitro JHEBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1C#N ZINC000107615047 569856761 /nfs/dbraw/zinc/85/67/61/569856761.db2.gz SZSCWQZXXOYJSU-CIAFOILYSA-N 0 1 471.469 3.791 40 30 JHEBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=CNc1cccc2cccnc21 ZINC000408744068 570033067 /nfs/dbraw/zinc/03/30/67/570033067.db2.gz YOBVSMHRXWOLBD-QHBIDGPYSA-N 0 1 453.321 3.764 40 30 JHEBMN CCOc1cc(C2C3=C(CCCC3=O)N(CCOC)C3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O ZINC000409042780 570107914 /nfs/dbraw/zinc/10/79/14/570107914.db2.gz XSDZOTAUOWOODN-UHFFFAOYSA-N 0 1 456.495 3.759 40 30 JHEBMN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C(=C(O)C=Cc1ccccc1)[C@H]1OC(=O)c2ccccc21 ZINC000104293937 569844865 /nfs/dbraw/zinc/84/48/65/569844865.db2.gz NADTWEFFTYQYFR-SIEZRQQESA-N 0 1 495.447 3.784 40 30 JHEBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1Br ZINC000408741553 570032346 /nfs/dbraw/zinc/03/23/46/570032346.db2.gz MSMGZUOFPRAHMA-IDTCLIEOSA-N 0 1 481.169 3.978 40 30 JHEBMN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc([N+](=O)[O-])cc(OCC)c2O)C1=O ZINC000409052872 570110549 /nfs/dbraw/zinc/11/05/49/570110549.db2.gz BBXZSVNHQGWYFN-BOPFTXTBSA-N 0 1 484.486 3.561 40 30 JHEBMN COC(=O)COc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC ZINC000409097670 570127268 /nfs/dbraw/zinc/12/72/68/570127268.db2.gz NTKRFNUAOJBURT-HCGXMYGOSA-N 0 1 462.222 3.869 40 30 JHEBMN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)cc([N+](=O)[O-])c1O ZINC000015304317 520786337 /nfs/dbraw/zinc/78/63/37/520786337.db2.gz FEIKXXBNXGLLGN-VTOVKPRRSA-N 0 1 467.478 3.930 40 30 JHEBMN O=[N+]([O-])c1ccc(Cl)c(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)c1 ZINC000015162321 527353999 /nfs/dbraw/zinc/35/39/99/527353999.db2.gz WFSGSUUPXGZLMM-FSJBWODESA-N 0 1 472.868 3.599 40 30 JHEBMN C=C(C)CN1c2ccccc2[C@@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O ZINC000100162611 569754300 /nfs/dbraw/zinc/75/43/00/569754300.db2.gz LWGMZSXGBRSPCX-OWLPFRGLSA-N 0 1 477.564 3.825 40 30 JHEBMN CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCOC)C2=O)cc([N+](=O)[O-])c1O ZINC000101633332 569802168 /nfs/dbraw/zinc/80/21/68/569802168.db2.gz WTVXIJJHMBNUMZ-CUNLUVCHSA-N 0 1 473.507 3.958 40 30 JHEBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1I ZINC000408742152 570032565 /nfs/dbraw/zinc/03/25/65/570032565.db2.gz PRHNMCROJOLASY-AHURVMIPSA-N 0 1 483.718 3.711 40 30 JHEBMN CCOC(=O)c1c(C)c(C)sc1NC=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000408742680 570032733 /nfs/dbraw/zinc/03/27/33/570032733.db2.gz RZOWBMUVPKKRCL-DKNGMTOASA-N 0 1 463.968 3.961 40 30 JHEBMN CCc1ccc(N=C2NC(=O)C(=Cc3c(O)n(-c4ccc(C)c(C)c4)c(=S)[nH]c3=O)S2)cc1 ZINC000408759976 570036575 /nfs/dbraw/zinc/03/65/75/570036575.db2.gz PIMZYJGWXQNGSI-LPGQDOADSA-N 0 1 478.599 3.664 40 30 JHEBMN C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc(OCC)c1OC ZINC000409103977 570129489 /nfs/dbraw/zinc/12/94/89/570129489.db2.gz ZZJYQHPYLKYBPA-LDADJPATSA-N 0 1 482.558 3.671 40 30 JHEBMN C=C(C)CN1c2ccccc2[C@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000012363814 518606066 /nfs/dbraw/zinc/60/60/66/518606066.db2.gz GTZCSJJQGXSSJR-AXWQWZDISA-N 0 1 491.591 3.821 40 30 JHEBMN O[C@H](CO/N=C(/c1ccncc1)c1ccc(Br)cc1)CN1CCN(c2ccccc2)CC1 ZINC000016489065 526283879 /nfs/dbraw/zinc/28/38/79/526283879.db2.gz JZSZHNXJTLRVBK-HELSZXIZSA-N 0 1 495.421 3.796 40 30 JHEBMN CCOc1cc(N2CCOCC2)c(OCC)cc1N=NC(C(C)=O)C(=O)Nc1ccccc1Cl ZINC000008780977 554677790 /nfs/dbraw/zinc/67/77/90/554677790.db2.gz DVXICKBEKJJZAG-WEMUOSSPSA-N 0 1 488.972 3.970 40 30 JHEBMN C=C(C)CN1c2ccccc2[C@@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000018129296 556292256 /nfs/dbraw/zinc/29/22/56/556292256.db2.gz GTZCSJJQGXSSJR-XHQAOKIUSA-N 0 1 491.591 3.821 40 30 JHEBMN C#CCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408873267 570060325 /nfs/dbraw/zinc/06/03/25/570060325.db2.gz RVZXFSYBKULFHA-WJDWOHSUSA-N 0 1 485.359 3.691 40 30 JHEBMN COC(=O)COc1cc(Br)c(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC ZINC000409085606 570123074 /nfs/dbraw/zinc/12/30/74/570123074.db2.gz CATJZVXDULSQRJ-HCGXMYGOSA-N 0 1 462.222 3.869 40 30 JHEBMN CCN1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(OC)cc2)C1=O ZINC000012614153 195054630 /nfs/dbraw/zinc/05/46/30/195054630.db2.gz FAKNZJXDFXOFCE-LVWGJNHUSA-N 0 1 495.517 3.587 40 30 JHEBMN COc1ccc(C(=O)/C=C/C(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)c(O)c1 ZINC000012490998 523535833 /nfs/dbraw/zinc/53/58/33/523535833.db2.gz YYCNMRGMZROVGP-CCEZHUSRSA-N 0 1 450.535 3.617 40 30 JHEBMN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000035867475 523943262 /nfs/dbraw/zinc/94/32/62/523943262.db2.gz FNHQEYMREDRGCH-WLJAHRKQSA-N 0 1 453.451 3.540 40 30 JHEBMN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCCc5cnc[nH]5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918512 569863363 /nfs/dbraw/zinc/86/33/63/569863363.db2.gz WVKNKNKVHAFAEV-LVXVQSLMSA-N 0 1 478.637 3.768 40 30 JHEBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNC1C=C[C@@H]2C(=O)c3ccccc3C(=O)C2=C1 ZINC000408743639 570032981 /nfs/dbraw/zinc/03/29/81/570032981.db2.gz WKKDFJGDYCILQI-WOMNCEEXSA-N 0 1 489.940 3.540 40 30 JHEBMN COC(=O)COc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1I ZINC000409095524 570126502 /nfs/dbraw/zinc/12/65/02/570126502.db2.gz IFCBOLUFGZFBJS-QPJQQBGISA-N 0 1 479.196 3.703 40 30 JHEBMN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1O ZINC000409281180 570191177 /nfs/dbraw/zinc/19/11/77/570191177.db2.gz LTCLIXUQRPFGMR-UHFFFAOYSA-N 0 1 475.299 3.961 40 30 JHEBMN O[C@@H](CO/N=C(/c1ccncc1)c1ccc(Br)cc1)CN1CCN(c2ccccc2)CC1 ZINC000016489060 527657088 /nfs/dbraw/zinc/65/70/88/527657088.db2.gz JZSZHNXJTLRVBK-CZSVHLHGSA-N 0 1 495.421 3.796 40 30 JHEBMN COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3sc(C(C)=O)c(C)c3C#N)n2)c1 ZINC000033601682 569628668 /nfs/dbraw/zinc/62/86/68/569628668.db2.gz MTPOFWFGDMMDGP-UHFFFAOYSA-N 0 1 457.537 3.664 40 30 JHEBMN Cc1c(C#N)c2nc3ccccc3n2c(O)c1C=C1C(=O)NN(c2ccc(Br)cc2)C1=O ZINC000103622405 569836775 /nfs/dbraw/zinc/83/67/75/569836775.db2.gz BMZKCXWOSHFBEF-MHWRWJLKSA-N 0 1 488.301 3.597 40 30 JHEBMN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C(=C(O)C=Cc1ccccc1)[C@H]1OC(=O)c2ccccc21 ZINC000104293944 569844876 /nfs/dbraw/zinc/84/48/76/569844876.db2.gz NADTWEFFTYQYFR-UYPDAZFLSA-N 0 1 495.447 3.784 40 30 JHEBMN COC(=O)c1cc(NC=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1Cl ZINC000408740613 570032046 /nfs/dbraw/zinc/03/20/46/570032046.db2.gz HLCJIOSEGNGAIU-DKNGMTOASA-N 0 1 450.303 3.546 40 30 JHEBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1Br ZINC000408741552 570032275 /nfs/dbraw/zinc/03/22/75/570032275.db2.gz MSMGZUOFPRAHMA-AHURVMIPSA-N 0 1 481.169 3.978 40 30 JHEBMN CCc1ccc(N=C2NC(=O)C(=Cc3c(O)n(-c4ccc(C)c(C)c4)c(=S)[nH]c3=O)S2)cc1 ZINC000408759977 570036555 /nfs/dbraw/zinc/03/65/55/570036555.db2.gz PIMZYJGWXQNGSI-LSCADSNKSA-N 0 1 478.599 3.664 40 30 JHEBMN C#CCOc1c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)cc1OC ZINC000408809600 570048771 /nfs/dbraw/zinc/04/87/71/570048771.db2.gz HFHBKPHCDFNOCL-GZTJUZNOSA-N 0 1 485.359 3.609 40 30 JHEBMN C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080996 570121632 /nfs/dbraw/zinc/12/16/32/570121632.db2.gz OSSUTTBTHPHXRS-UHFFFAOYSA-N 0 1 491.378 3.892 40 30 JHEBMN C=CCc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc(OCC)c1O ZINC000409139391 570143889 /nfs/dbraw/zinc/14/38/89/570143889.db2.gz AEBXAVWMAQXRMX-DEDYPNTBSA-N 0 1 494.544 3.979 40 30 JHEBMN C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(OCC)c1OC ZINC000409172538 570155470 /nfs/dbraw/zinc/15/54/70/570155470.db2.gz KIUBTVLLZDFWNH-GHRIWEEISA-N 0 1 452.532 3.662 40 30 JHEBMN C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1O ZINC000409255732 570186783 /nfs/dbraw/zinc/18/67/83/570186783.db2.gz ZMZJNAZFIYWLSS-CXUHLZMHSA-N 0 1 462.449 3.979 40 30 JHEBMN Oc1c(I)cc(I)cc1/C=N\c1ccccn1 ZINC000009355113 526331644 /nfs/dbraw/zinc/33/16/44/526331644.db2.gz UMJNRKBUSKBBPL-APSNUPSMSA-N 0 1 450.017 3.747 40 30 JHEBMN C[C@H]1CN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000008871170 554766360 /nfs/dbraw/zinc/76/63/60/554766360.db2.gz BGMBOBFWENOTFP-AUSJPIAWSA-N 0 1 456.955 3.935 40 30 JHEBMN COc1ccc2[nH]cc(CCNC(=Nc3nc(C)cc(C)n3)NC(O)=CSc3ccccn3)c2c1 ZINC000018077343 556284167 /nfs/dbraw/zinc/28/41/67/556284167.db2.gz FTJJKECKYSECKH-UHFFFAOYSA-N 0 1 489.605 3.897 40 30 JHEBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=CNc1cccc2cnccc21 ZINC000408740764 570032057 /nfs/dbraw/zinc/03/20/57/570032057.db2.gz HZLHBRCKLZJQRD-BRUSPLQXSA-N 0 1 453.321 3.764 40 30 JHEBMN C#CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000408827977 570052538 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COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 ZINC000002654680 554270441 /nfs/dbraw/zinc/27/04/41/554270441.db2.gz QOPSTVOTLHDFRH-UFFVCSGVSA-N 0 1 468.524 3.686 40 30 JHEBMN Oc1c(I)cc(I)cc1/C=N/N=C\c1ccco1 ZINC000016919205 556180355 /nfs/dbraw/zinc/18/03/55/556180355.db2.gz OSPLYYWMKLKNQD-DHCAGBJJSA-N 0 1 466.016 3.647 40 30 JHEBMN CCOC(=O)c1c(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)sc2c1CCCC2 ZINC000408739919 570031687 /nfs/dbraw/zinc/03/16/87/570031687.db2.gz GNPVWUQYINSRKD-GIEPYWIESA-N 0 1 455.561 3.570 40 30 JHEBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=CNc1cccc2cnccc21 ZINC000408740770 570032010 /nfs/dbraw/zinc/03/20/10/570032010.db2.gz HZLHBRCKLZJQRD-IMQYADFFSA-N 0 1 453.321 3.764 40 30 JHEBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1I ZINC000408742154 570032558 /nfs/dbraw/zinc/03/25/58/570032558.db2.gz PRHNMCROJOLASY-IDTCLIEOSA-N 0 1 483.718 3.711 40 30 JHEBMN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc([N+](=O)[O-])c1O ZINC000409288055 570193171 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N#Cc1ccc(Cl)cc1N1C(=O)C(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O ZINC000409296211 570195306 /nfs/dbraw/zinc/19/53/06/570195306.db2.gz SLMRGOPZMANIJL-NHCUHLMSSA-N 0 1 474.856 3.536 40 30 JHEBMN N#Cc1ccc(Cl)cc1N1C(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O ZINC000409296211 570195307 /nfs/dbraw/zinc/19/53/07/570195307.db2.gz SLMRGOPZMANIJL-NHCUHLMSSA-N 0 1 474.856 3.536 40 30 JHEBMN COc1cc(-c2n[nH]c(=S)n2N=Cc2cc(Br)ccc2O)cc(OC)c1OC ZINC000004273578 194386775 /nfs/dbraw/zinc/38/67/75/194386775.db2.gz QJSCZMCVQVCBAB-AWQFTUOYSA-N 0 1 465.329 3.984 40 30 JHEBMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)c1 ZINC000408637618 569987527 /nfs/dbraw/zinc/98/75/27/569987527.db2.gz LSODHEHCTHQCRU-UHFFFAOYSA-N 0 1 452.565 3.973 40 30 JHEBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408740566 570031938 /nfs/dbraw/zinc/03/19/38/570031938.db2.gz HBMHOCMDYGYGOO-RVQTXVGNSA-N 0 1 481.715 3.777 40 30 JHEBMN 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