smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O[C@](C#CCN1CC[C@H](c2ccccc2)C1)(c1ccccc1)C1CCCCC1 ZINC000002280894 210151194 /nfs/dbraw/zinc/15/11/94/210151194.db2.gz ZKEKBMWWMAZJKJ-JYFHCDHNSA-N 0 1 373.540 4.947 50 30 FJEAMN C[C@H](NCC#Cc1ccc(F)cc1)c1cccc(OCc2ccccn2)c1 ZINC000170591663 203878532 /nfs/dbraw/zinc/87/85/32/203878532.db2.gz YMCGGMODIJYJIC-SFHVURJKSA-N 0 1 360.432 4.502 50 30 FJEAMN CC1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000004899287 204172811 /nfs/dbraw/zinc/17/28/11/204172811.db2.gz BRKJPIMYVYTBLN-FOLOGHDTSA-N 0 1 373.481 4.694 50 30 FJEAMN Oc1ccc2ccccc2c1C=Nn1c(=S)[nH]nc1C1CCCCC1 ZINC000005648623 204219133 /nfs/dbraw/zinc/21/91/33/204219133.db2.gz LILNRAQFQLWKEF-UDWIEESQSA-N 0 1 352.463 4.729 50 30 FJEAMN CC(C=Nn1c(=S)[nH]nc1-c1ccc(N(C)C)cc1)=Cc1ccccc1 ZINC000005789128 204225626 /nfs/dbraw/zinc/22/56/26/204225626.db2.gz LCNLRNDVDYLQOK-PLTPNBMQSA-N 0 1 363.490 4.611 50 30 FJEAMN C[C@@H]1CCC[C@@H](Nc2c(-c3ccc(F)cc3)[nH]c3c(C#N)cnn23)[C@@H]1C ZINC000006768754 204268575 /nfs/dbraw/zinc/26/85/75/204268575.db2.gz BQXYYSZXTQLDPW-PBFPGSCMSA-N 0 1 351.429 4.577 50 30 FJEAMN N#Cc1ccccc1-c1ccc(CSc2nc(-c3cccnc3)n[nH]2)cc1 ZINC000060531716 205285879 /nfs/dbraw/zinc/28/58/79/205285879.db2.gz PXXKZEFSJJZTTC-UHFFFAOYSA-N 0 1 369.453 4.698 50 30 FJEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000102595372 205975581 /nfs/dbraw/zinc/97/55/81/205975581.db2.gz CXAVCPHROGWCKF-YDJIHCHBSA-N 0 1 363.457 4.689 50 30 FJEAMN CCCC1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2C)C1=O ZINC000004911065 206185724 /nfs/dbraw/zinc/18/57/24/206185724.db2.gz JBUGQCOLYBOLRA-YGHXBTADSA-N 0 1 365.502 4.629 50 30 FJEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000103087424 206233383 /nfs/dbraw/zinc/23/33/83/206233383.db2.gz CPKTWCCGGZZJIM-SELCWUDQSA-N 0 1 369.848 4.562 50 30 FJEAMN Cc1ccc(NC=C(C(=O)c2cccs2)C(=O)C(F)(F)F)cc1C ZINC000105758219 206240875 /nfs/dbraw/zinc/24/08/75/206240875.db2.gz WZQAUPGOZPKFDN-UKTHLTGXSA-N 0 1 353.365 4.675 50 30 FJEAMN Cc1ccccc1/N=C/c1cc(Br)cc(Br)c1O ZINC000101671460 222281206 /nfs/dbraw/zinc/28/12/06/222281206.db2.gz SBOQCDPTUSRCCX-CAOOACKPSA-N 0 1 369.056 4.976 50 30 FJEAMN C=CCNCc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000247997602 518955925 /nfs/dbraw/zinc/95/59/25/518955925.db2.gz MYYAZGDTCZTTCB-UHFFFAOYSA-N 0 1 373.287 4.576 50 30 FJEAMN CC[C@H](C)Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1OC ZINC000033893758 521763316 /nfs/dbraw/zinc/76/33/16/521763316.db2.gz RIDXCKRHXDWFRT-RQZLXBNYSA-N 0 1 355.463 4.928 50 30 FJEAMN CC[C@H](C)Oc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1OC ZINC000033893758 521763323 /nfs/dbraw/zinc/76/33/23/521763323.db2.gz RIDXCKRHXDWFRT-RQZLXBNYSA-N 0 1 355.463 4.928 50 30 FJEAMN CCc1n[nH]c(=S)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000005962064 522129561 /nfs/dbraw/zinc/12/95/61/522129561.db2.gz BGUZBXOYYSDKII-RGVLZGJSSA-N 0 1 372.881 4.618 50 30 FJEAMN N#CC1(c2ccccc2)CCN(Cc2ccc([C@H]3CCCO3)s2)CC1 ZINC000215175295 568055911 /nfs/dbraw/zinc/05/59/11/568055911.db2.gz VKCHPCYPPLRVSG-LJQANCHMSA-N 0 1 352.503 4.657 50 30 FJEAMN CCCCC1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O ZINC000005092799 570583730 /nfs/dbraw/zinc/58/37/30/570583730.db2.gz JDGUPUAAQACHJI-XVEDWSDESA-N 0 1 371.531 4.772 50 30 FJEAMN Clc1cccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000019773309 570902722 /nfs/dbraw/zinc/90/27/22/570902722.db2.gz NDBICGWYYNCCHZ-LFVJCYFKSA-N 0 1 363.892 4.645 50 30 FJEAMN Fc1ccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019825855 570903803 /nfs/dbraw/zinc/90/38/03/570903803.db2.gz PHGXAPZNARQDQD-LGUFXXKBSA-N 0 1 373.475 4.567 50 30 FJEAMN O[C@@](C#CCN1CC[C@@H](c2ccccc2)C1)(c1ccccc1)C1CCCCC1 ZINC000013427205 571083384 /nfs/dbraw/zinc/08/33/84/571083384.db2.gz ZKEKBMWWMAZJKJ-BVAGGSTKSA-N 0 1 373.540 4.947 50 30 FJEAMN COc1ccc(CC/N=C2/CCCc3c4cc(C)ccc4[nH]c32)cc1OC ZINC000075253071 571158258 /nfs/dbraw/zinc/15/82/58/571158258.db2.gz QFTIFNSXOHORBA-GFMRDNFCSA-N 0 1 362.473 4.862 50 30 FJEAMN CCc1ccc(O)c(N=Cc2cc(Cl)cc(Br)c2O)c1 ZINC000252590329 571283781 /nfs/dbraw/zinc/28/37/81/571283781.db2.gz ARNKLAXHLRZQNQ-UHFFFAOYSA-N 0 1 354.631 4.827 50 30 FJEAMN C=CCc1cc(C=NN=c2[nH]c3ccccc3s2)cc(OCC)c1OC ZINC000252600238 571284472 /nfs/dbraw/zinc/28/44/72/571284472.db2.gz DPNJDEVNCZWFBJ-UHFFFAOYSA-N 0 1 367.474 4.878 50 30 FJEAMN C=CCc1cc(C=[NH+][N-]c2nc3ccccc3s2)cc(OCC)c1OC ZINC000252600238 571284473 /nfs/dbraw/zinc/28/44/73/571284473.db2.gz DPNJDEVNCZWFBJ-UHFFFAOYSA-N 0 1 367.474 4.878 50 30 FJEAMN C[C@@H](c1ccccn1)N(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000096003600 571333818 /nfs/dbraw/zinc/33/38/18/571333818.db2.gz YJGBRPGAQBAIFW-SFHVURJKSA-N 0 1 357.457 4.725 50 30 FJEAMN N#Cc1nc(-c2cccs2)oc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000027992880 571337368 /nfs/dbraw/zinc/33/73/68/571337368.db2.gz IZTISROOPTYBKQ-HNNXBMFYSA-N 0 1 368.462 4.507 50 30 FJEAMN C=CCc1cc(CNCc2cc(-c3cccnc3)no2)ccc1OC(C)C ZINC000055211631 210069327 /nfs/dbraw/zinc/06/93/27/210069327.db2.gz XHHXAQXJTXIKQC-UHFFFAOYSA-N 0 1 363.461 4.542 50 30 FJEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1F ZINC000001107516 219370430 /nfs/dbraw/zinc/37/04/30/219370430.db2.gz IOKYAHYBFWEYLH-REZTVBANSA-N 0 1 373.019 4.807 50 30 FJEAMN Cc1ccc2nc(-c3cc(N=Cc4cccc([N+](=O)[O-])c4)ccc3O)[nH]c2c1 ZINC000002490103 204041655 /nfs/dbraw/zinc/04/16/55/204041655.db2.gz UAYOWJMNQXVRKX-WSDLNYQXSA-N 0 1 372.384 4.903 50 30 FJEAMN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 ZINC000003904677 204114200 /nfs/dbraw/zinc/11/42/00/204114200.db2.gz XJNZPRHVQMLJNI-QHCPKHFHSA-N 0 1 360.457 4.994 50 30 FJEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 ZINC000003904703 204114848 /nfs/dbraw/zinc/11/48/48/204114848.db2.gz LOIGLPPDJGAGJT-HSZRJFAPSA-N 0 1 360.457 4.912 50 30 FJEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2ccccc2Cl)c1 ZINC000005408644 204206690 /nfs/dbraw/zinc/20/66/90/204206690.db2.gz OMMUPUUUEGSSCT-YBFXNURJSA-N 0 1 358.854 4.542 50 30 FJEAMN Fc1ccccc1-c1n[nH]c(=S)n1N=Cc1cccc(Cl)c1Cl ZINC000006102793 204237119 /nfs/dbraw/zinc/23/71/19/204237119.db2.gz UHNQIYSGXMERSN-UFWORHAWSA-N 0 1 367.236 4.936 50 30 FJEAMN Cc1cc(C[C@H](C)n2cnc(-c3ccccc3)c2-c2ccc(C#N)cc2)[nH]n1 ZINC000067868129 205399695 /nfs/dbraw/zinc/39/96/95/205399695.db2.gz VGCAYXCMRIMUNF-KRWDZBQOSA-N 0 1 367.456 4.924 50 30 FJEAMN Cc1ccc(NC=C(C(=O)c2cccs2)C(=O)C(F)(F)F)cc1C ZINC000100862372 205950319 /nfs/dbraw/zinc/95/03/19/205950319.db2.gz WZQAUPGOZPKFDN-LCYFTJDESA-N 0 1 353.365 4.675 50 30 FJEAMN Cc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)s1 ZINC000019826411 211256421 /nfs/dbraw/zinc/25/64/21/211256421.db2.gz UZAROBWQIHIHEK-LFVJCYFKSA-N 0 1 373.525 4.778 50 30 FJEAMN Cc1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019682511 211245448 /nfs/dbraw/zinc/24/54/48/211245448.db2.gz ODVWGMMOKQFGKL-NLRVBDNBSA-N 0 1 367.496 4.717 50 30 FJEAMN COc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1OC ZINC000001427485 210352176 /nfs/dbraw/zinc/35/21/76/210352176.db2.gz FIOSYFRAZRTJLE-QGMBQPNBSA-N 0 1 370.630 4.576 50 30 FJEAMN C(=N/c1ccc(N2CCN(Cc3ccccc3)CC2)cc1)\c1cccs1 ZINC000057227615 136128306 /nfs/dbraw/zinc/12/83/06/136128306.db2.gz OZQNVGGUGNGNJE-HAVVHWLPSA-N 0 1 361.514 4.821 50 30 FJEAMN COc1ccc([C@@H]2C/C(=N/O)[C@H](C(C)C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000100584456 222248218 /nfs/dbraw/zinc/24/82/18/222248218.db2.gz YAYNGOKHOQNKCD-OBLVSXFLSA-N 0 1 368.477 4.582 50 30 FJEAMN C=CCCC(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000012050308 263369505 /nfs/dbraw/zinc/36/95/05/263369505.db2.gz VAWXICQOXHJDIJ-SFHVURJKSA-N 0 1 359.473 4.902 50 30 FJEAMN C#CCN(Cc1nc(-c2ccccc2OCC)oc1C)C1CCCCC1 ZINC000020202267 518261948 /nfs/dbraw/zinc/26/19/48/518261948.db2.gz BZBGYPRQLVLNLL-UHFFFAOYSA-N 0 1 352.478 4.817 50 30 FJEAMN C(/C=C/c1ccco1)=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000252394407 518368766 /nfs/dbraw/zinc/36/87/66/518368766.db2.gz JAZXDODTSZKGSQ-YABWMESVSA-N 0 1 369.468 4.666 50 30 FJEAMN CCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2C)cc1 ZINC000005738392 520322440 /nfs/dbraw/zinc/32/24/40/520322440.db2.gz FTULIENAEWMQDT-DEDYPNTBSA-N 0 1 352.463 4.587 50 30 FJEAMN CCCCC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O ZINC000002260937 521253366 /nfs/dbraw/zinc/25/33/66/521253366.db2.gz JDGUPUAAQACHJI-VGCKYNLESA-N 0 1 371.531 4.772 50 30 FJEAMN Cc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)s1 ZINC000245253955 524243905 /nfs/dbraw/zinc/24/39/05/524243905.db2.gz UZAROBWQIHIHEK-UHFFFAOYSA-N 0 1 373.525 4.778 50 30 aggregator FJEAMN Cc1ccsc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000239248151 525830593 /nfs/dbraw/zinc/83/05/93/525830593.db2.gz YEMTVMBSMHAQPT-UHFFFAOYSA-N 0 1 373.525 4.778 50 30 aggregator FJEAMN O=C(/C=C/c1ccc(N2CCCC2)c(O)c1)c1ccc2ccccc2c1O ZINC000095217939 570451645 /nfs/dbraw/zinc/45/16/45/570451645.db2.gz AMGNYAWNIOBMGU-XYOKQWHBSA-N 0 1 359.425 4.747 50 30 FJEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 ZINC000003904701 570571481 /nfs/dbraw/zinc/57/14/81/570571481.db2.gz LOIGLPPDJGAGJT-QHCPKHFHSA-N 0 1 360.457 4.912 50 30 FJEAMN CCC1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2C)C1=O ZINC000033777414 570583326 /nfs/dbraw/zinc/58/33/26/570583326.db2.gz OSXNECNAZOIBEG-HTIXJGPSSA-N 0 1 365.502 4.548 50 30 FJEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(F)cc2)cc1 ZINC000012401135 570741931 /nfs/dbraw/zinc/74/19/31/570741931.db2.gz NOPGTYGHUFTPRW-MTJSOVHGSA-N 0 1 354.454 4.926 50 30 FJEAMN C#CCN(Cc1nc(-c2cc(OC)ccc2F)oc1C)C1CCCCC1 ZINC000020907610 571141645 /nfs/dbraw/zinc/14/16/45/571141645.db2.gz RDBIQBOIEPSTCA-UHFFFAOYSA-N 0 1 356.441 4.566 50 30 FJEAMN O=C(Oc1cccc(C=NN=c2[nH]c3ccccc3s2)c1)c1ccccc1 ZINC000016476883 571195083 /nfs/dbraw/zinc/19/50/83/571195083.db2.gz VTDMHBLVQXZPDB-UHFFFAOYSA-N 0 1 373.437 4.962 50 30 FJEAMN O=C(Oc1cccc(C=[NH+][N-]c2nc3ccccc3s2)c1)c1ccccc1 ZINC000016476883 571195084 /nfs/dbraw/zinc/19/50/84/571195084.db2.gz VTDMHBLVQXZPDB-UHFFFAOYSA-N 0 1 373.437 4.962 50 30 FJEAMN C=CCc1c(C)nc(-c2ccccc2)nc1N=NC(C)c1ccc(N)cc1 ZINC000252598974 571284626 /nfs/dbraw/zinc/28/46/26/571284626.db2.gz DFYOWQQLNMCEBM-UHFFFAOYSA-N 0 1 357.461 4.599 50 30 FJEAMN N#Cc1nc(-c2ccco2)oc1NC[C@@H](c1cccs1)N1CCCCC1 ZINC000028251148 571338838 /nfs/dbraw/zinc/33/88/38/571338838.db2.gz WYVXHZHRGBKJNI-HNNXBMFYSA-N 0 1 368.462 4.507 50 30 FJEAMN N#CC(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC000230195891 571344658 /nfs/dbraw/zinc/34/46/58/571344658.db2.gz ZCWCJXNSAYSYGI-GRYCIOLGSA-N 0 1 364.289 4.645 50 30 FJEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3c(c2)oc2ccccc23)c1O ZINC000000726890 210265906 /nfs/dbraw/zinc/26/59/06/210265906.db2.gz BVVWEVIPPUZSLE-SRZZPIQSSA-N 0 1 362.341 4.959 50 30 FJEAMN COc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C#N)c(=O)[nH]2)cc1 ZINC000005917325 210084403 /nfs/dbraw/zinc/08/44/03/210084403.db2.gz KIAIKGBBWWVLJM-UHFFFAOYSA-N 0 1 358.441 4.887 50 30 FJEAMN S=c1[nH]nc(Cc2c[nH]c3ccccc23)n1N=Cc1ccc(Cl)cc1 ZINC000040391017 210043729 /nfs/dbraw/zinc/04/37/29/210043729.db2.gz SDMBQKABOHUFCI-UFFVCSGVSA-N 0 1 367.865 4.548 50 30 FJEAMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1cccc(Br)c1 ZINC000001475367 204009659 /nfs/dbraw/zinc/00/96/59/204009659.db2.gz LKQFXUSTJXHWFW-LICLKQGHSA-N 0 1 365.300 4.633 50 30 FJEAMN FC(F)(F)c1ccccc1C=Nn1c(=S)[nH]nc1C1CCCCC1 ZINC000002347971 204035332 /nfs/dbraw/zinc/03/53/32/204035332.db2.gz COPXCQXDBIJBRS-KEBDBYFISA-N 0 1 354.401 4.889 50 30 FJEAMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc(Br)c2)c1 ZINC000006055703 204235735 /nfs/dbraw/zinc/23/57/35/204235735.db2.gz HBAGGUVKZBRULM-VCHYOVAHSA-N 0 1 373.279 4.561 50 30 FJEAMN CCC1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2)C1=O ZINC000051366826 205182095 /nfs/dbraw/zinc/18/20/95/205182095.db2.gz IJGWBVHPNOYBOJ-JIIKEMMSSA-N 0 1 365.502 4.548 50 30 FJEAMN COc1ccc(C=Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1OC ZINC000001433513 210353301 /nfs/dbraw/zinc/35/33/01/210353301.db2.gz QXFHEAFQBVFQSA-OEAKJJBVSA-N 0 1 357.413 4.998 50 30 FJEAMN COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)C/C(=N/O)[C@H]2C(C)C)cc1 ZINC000100584453 222247482 /nfs/dbraw/zinc/24/74/82/222247482.db2.gz YAYNGOKHOQNKCD-SIMXPBIPSA-N 0 1 368.477 4.582 50 30 FJEAMN CCCCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccco2)cc1 ZINC000002588911 263145296 /nfs/dbraw/zinc/14/52/96/263145296.db2.gz UGVKLIWWPNMURO-CPNJWEJPSA-N 0 1 356.451 4.652 50 30 FJEAMN Clc1ccccc1/C=N/N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019772998 263376696 /nfs/dbraw/zinc/37/66/96/263376696.db2.gz TWQVZDVHNYVVPY-LFVJCYFKSA-N 0 1 363.892 4.645 50 30 FJEAMN C=C(C)COc1c(CN2CCC[C@H]2c2c(C)noc2C)cccc1OC ZINC000055414850 518609744 /nfs/dbraw/zinc/60/97/44/518609744.db2.gz IEVIZZYTYOFACD-SFHVURJKSA-N 0 1 356.466 4.592 50 30 FJEAMN C=CCOc1c(Cl)cc(CN[C@H](CC)c2ccnn2C)cc1Cl ZINC000055307609 519006321 /nfs/dbraw/zinc/00/63/21/519006321.db2.gz OSOSPPIHZCWHPX-OAHLLOKOSA-N 0 1 354.281 4.533 50 30 FJEAMN C=CCc1c(C)nc(-c2ccccc2)nc1N=NC(C)c1ccc(N)cc1 ZINC000004115943 519120607 /nfs/dbraw/zinc/12/06/07/519120607.db2.gz DFYOWQQLNMCEBM-CVKSISIWSA-N 0 1 357.461 4.599 50 30 FJEAMN Cc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000252429464 524244217 /nfs/dbraw/zinc/24/42/17/524244217.db2.gz RFYNERGQWHJBKU-UHFFFAOYSA-N 0 1 367.496 4.717 50 30 FJEAMN N#C[C@H](C(=O)C1(c2cccc(Cl)c2)CC1)c1ccc(C(F)(F)F)cn1 ZINC000041552789 526505044 /nfs/dbraw/zinc/50/50/44/526505044.db2.gz PFCZRBWZZPWNJP-AWEZNQCLSA-N 0 1 364.754 4.662 50 30 FJEAMN C=CCc1cc(C=NN=c2[nH]c3ccccc3s2)cc(OCC)c1OC ZINC000004655940 570598519 /nfs/dbraw/zinc/59/85/19/570598519.db2.gz DPNJDEVNCZWFBJ-FYJGNVAPSA-N 0 1 367.474 4.878 50 30 FJEAMN C=CCc1cc(C=[NH+][N-]c2nc3ccccc3s2)cc(OCC)c1OC ZINC000004655940 570598522 /nfs/dbraw/zinc/59/85/22/570598522.db2.gz DPNJDEVNCZWFBJ-FYJGNVAPSA-N 0 1 367.474 4.878 50 30 FJEAMN Cc1cccc(C)c1NC(=O)CCCC(=O)CC(=O)C=Cc1ccccc1 ZINC000005315537 570623580 /nfs/dbraw/zinc/62/35/80/570623580.db2.gz ADZXVCZVHDHMDP-CCEZHUSRSA-N 0 1 363.457 4.654 50 30 FJEAMN Cc1ccccc1-c1n[nH]c(=S)n1N=Cc1c(O)ccc2ccccc21 ZINC000005648569 570632551 /nfs/dbraw/zinc/63/25/51/570632551.db2.gz IMZIIYLSJVAWOM-CIAFOILYSA-N 0 1 360.442 4.657 50 30 FJEAMN CCC1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2C)C1=O ZINC000004904516 570879162 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570556130 /nfs/dbraw/zinc/55/61/30/570556130.db2.gz BRKJPIMYVYTBLN-VJKAQKEDSA-N 0 1 373.481 4.694 50 30 FJEAMN CCCCC1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O ZINC000005092796 570583721 /nfs/dbraw/zinc/58/37/21/570583721.db2.gz JDGUPUAAQACHJI-MHCYFFLUSA-N 0 1 371.531 4.772 50 30 FJEAMN N#CC1N=C(c2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000005946730 570639309 /nfs/dbraw/zinc/63/93/09/570639309.db2.gz VQWGIAVVVIAMCC-FQEVSTJZSA-N 0 1 371.827 4.687 50 30 FJEAMN Cc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2Br)cc1 ZINC000006814254 570654927 /nfs/dbraw/zinc/65/49/27/570654927.db2.gz UICAMOKRPDLIBK-VCHYOVAHSA-N 0 1 373.279 4.561 50 30 FJEAMN Cc1ccc(C)c(NC=C(C(=O)c2cccs2)C(=O)C(F)(F)F)c1 ZINC000103874068 570853112 /nfs/dbraw/zinc/85/31/12/570853112.db2.gz JLHKNSVDQGVGOV-FMIVXFBMSA-N 0 1 353.365 4.675 50 30 FJEAMN Cc1ccc2nc(-c3ccc(/N=C/c4ccc5c(c4)OCO5)cc3O)oc2c1 ZINC000017822975 570873626 /nfs/dbraw/zinc/87/36/26/570873626.db2.gz SXIASZKNAHIKKD-FOKLQQMPSA-N 0 1 372.380 4.988 50 30 FJEAMN Fc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019682316 570898565 /nfs/dbraw/zinc/89/85/65/570898565.db2.gz XNQSWLMNTBLBQH-YZSQISJMSA-N 0 1 371.459 4.547 50 30 FJEAMN O=C1ON=C(c2ccc(Cl)cc2)/C1=C\c1cc(Cl)cc(Cl)c1O ZINC000108464986 570906792 /nfs/dbraw/zinc/90/67/92/570906792.db2.gz UNFYZUVMWHPMJM-WUXMJOGZSA-N 0 1 368.603 4.697 50 30 FJEAMN Fc1ccccc1NC(=S)NN=c1[nH]cc(C(F)(F)F)cc1Cl ZINC000008680913 571054563 /nfs/dbraw/zinc/05/45/63/571054563.db2.gz XCEPWIOAHYKZKV-UHFFFAOYSA-N 0 1 364.755 4.618 50 30 FJEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000009329632 571105094 /nfs/dbraw/zinc/10/50/94/571105094.db2.gz MAGCJYFCNQRNLH-SFHVURJKSA-N 0 1 369.848 4.718 50 30 FJEAMN Cc1ccc(C)n1-c1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041542277 571112740 /nfs/dbraw/zinc/11/27/40/571112740.db2.gz BJVOGACYHQPOJF-GOSISDBHSA-N 0 1 355.397 4.725 50 30 FJEAMN CN(C)c1ccc(C(N=Nc2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000071769666 571166256 /nfs/dbraw/zinc/16/62/56/571166256.db2.gz 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CC(C)c1ccc(/N=C2\NC(=O)C(Cc3cccc(Cl)c3)S2)cc1 ZINC000005807931 204226262 /nfs/dbraw/zinc/22/62/62/204226262.db2.gz YFHRQTNXQCHASK-QGZVFWFLSA-N 0 1 358.894 4.925 50 30 FJEAMN Fc1ccccc1-c1n[nH]c(=S)n1N=Cc1c(Cl)cccc1Cl ZINC000006102777 204236970 /nfs/dbraw/zinc/23/69/70/204236970.db2.gz GECQDHCSXFDXNM-UFWORHAWSA-N 0 1 367.236 4.936 50 30 FJEAMN S=c1[nH]nc(N=Cc2ccc(Br)cc2)n1Cc1ccccc1 ZINC000006344367 204245711 /nfs/dbraw/zinc/24/57/11/204245711.db2.gz HFHLAEJONPZUFY-VCHYOVAHSA-N 0 1 373.279 4.502 50 30 FJEAMN Cc1cccc(C=Nn2c(=S)[nH]nc2-c2ccccc2Br)c1 ZINC000006815701 204273678 /nfs/dbraw/zinc/27/36/78/204273678.db2.gz SDAIMWRKBMFIQK-VCHYOVAHSA-N 0 1 373.279 4.561 50 30 FJEAMN Cc1ccccc1C=Nn1c(=S)[nH]nc1-c1ccccc1Br ZINC000008321098 204326559 /nfs/dbraw/zinc/32/65/59/204326559.db2.gz MTOYMGFDONJQDO-VCHYOVAHSA-N 0 1 373.279 4.561 50 30 FJEAMN Cc1ccccc1NC(=S)NN=c1[nH]cc(C(F)(F)F)cc1Cl ZINC000008680907 204338861 /nfs/dbraw/zinc/33/88/61/204338861.db2.gz RRBAARYDQIXDBA-UHFFFAOYSA-N 0 1 360.792 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/nfs/dbraw/zinc/56/31/97/570563197.db2.gz WLIWPBVCFXANCQ-IQRJPBLOSA-N 0 1 365.502 4.711 50 30 FJEAMN CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1 ZINC000003904679 570571428 /nfs/dbraw/zinc/57/14/28/570571428.db2.gz XJNZPRHVQMLJNI-HSZRJFAPSA-N 0 1 360.457 4.994 50 30 FJEAMN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000003904888 570571512 /nfs/dbraw/zinc/57/15/12/570571512.db2.gz ZETZPDLKWUUETF-JOCHJYFZSA-N 0 1 364.420 4.743 50 30 FJEAMN COc1ccc(-c2n[nH]c(=S)n2N=CC(C)=Cc2ccccc2)cc1 ZINC000005665297 570632595 /nfs/dbraw/zinc/63/25/95/570632595.db2.gz KIHBGSRERCPUDK-OCRAYANJSA-N 0 1 350.447 4.554 50 30 FJEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(F)c2)cc1 ZINC000005669438 570633089 /nfs/dbraw/zinc/63/30/89/570633089.db2.gz YYAQSRSSLOAAJF-CIAFOILYSA-N 0 1 354.454 4.926 50 30 FJEAMN N#CC1N=C(c2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000005946733 570639352 /nfs/dbraw/zinc/63/93/52/570639352.db2.gz VQWGIAVVVIAMCC-HXUWFJFHSA-N 0 1 371.827 4.687 50 30 FJEAMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1cccc2ccccc12 ZINC000006007492 571272712 /nfs/dbraw/zinc/27/27/12/571272712.db2.gz RBSRVDNWIQUCJT-FYJGNVAPSA-N 0 1 360.442 4.652 50 30 FJEAMN N#Cc1nc(-c2cccs2)oc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000027992875 571337361 /nfs/dbraw/zinc/33/73/61/571337361.db2.gz IZTISROOPTYBKQ-OAHLLOKOSA-N 0 1 368.462 4.507 50 30 FJEAMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(Br)cc2)c1 ZINC000006055685 219711708 /nfs/dbraw/zinc/71/17/08/219711708.db2.gz XAPPHSXAHBGMSJ-VCHYOVAHSA-N 0 1 373.279 4.561 50 30 FJEAMN CCCc1c/c(=N\c2ccc(N(C)C)cc2)n2c3ccccc3[nH]c2c1C#N ZINC000102930948 209244607 /nfs/dbraw/zinc/24/46/07/209244607.db2.gz PLZQOIVYADHIRT-YYDJUVGSSA-N 0 1 369.472 4.543 50 30 FJEAMN Oc1ccccc1-c1nc(C(F)(F)F)cc(C(F)(F)C(F)(F)F)n1 ZINC000098008917 209202410 /nfs/dbraw/zinc/20/24/10/209202410.db2.gz UGPAXTCIHKJKMO-UHFFFAOYSA-N 0 1 358.188 4.522 50 30 FJEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(C(C)(C)C)cc2)c1 ZINC000005789581 207116864 /nfs/dbraw/zinc/11/68/64/207116864.db2.gz NQKAOHKRDOPLKM-FYJGNVAPSA-N 0 1 366.490 4.796 50 30 FJEAMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2ccccc2C(F)(F)F)c1 ZINC000006174192 207132200 /nfs/dbraw/zinc/13/22/00/207132200.db2.gz VEUXKBPYCMMBOU-UFFVCSGVSA-N 0 1 362.380 4.817 50 30 FJEAMN Cc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3)NC3=C2C(=O)CCC3)cc1 ZINC000006731935 207158542 /nfs/dbraw/zinc/15/85/42/207158542.db2.gz JNUUAJLHSLNTMZ-IBGZPJMESA-N 0 1 355.441 4.950 50 30 FJEAMN C[C@@H]1CCC[C@H](Nc2c(-c3ccc(F)cc3)[nH]c3c(C#N)cnn23)[C@@H]1C ZINC000006768752 207162299 /nfs/dbraw/zinc/16/22/99/207162299.db2.gz BQXYYSZXTQLDPW-XNJGSVPQSA-N 0 1 351.429 4.577 50 30 FJEAMN Fc1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019682263 220285012 /nfs/dbraw/zinc/28/50/12/220285012.db2.gz KVBPIEMYTZGDOT-YZSQISJMSA-N 0 1 371.459 4.547 50 30 FJEAMN Cc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019682419 220285893 /nfs/dbraw/zinc/28/58/93/220285893.db2.gz RFYNERGQWHJBKU-NLRVBDNBSA-N 0 1 367.496 4.717 50 30 FJEAMN CN(C)C=NC(=Nc1ccccc1)SCc1c(Cl)cccc1Cl ZINC000095691964 209085034 /nfs/dbraw/zinc/08/50/34/209085034.db2.gz ASRKZOUNGQQGMC-UHFFFAOYSA-O 0 1 367.325 4.995 50 30 FJEAMN C=CCc1ccc(OCCSc2nc3ccc(C)cc3[nH]2)c(OC)c1 ZINC000009191658 263360267 /nfs/dbraw/zinc/36/02/67/263360267.db2.gz OPOFAPJSGFFNMK-UHFFFAOYSA-N 0 1 354.475 4.780 50 30 FJEAMN CCc1ccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000019772960 263376631 /nfs/dbraw/zinc/37/66/31/263376631.db2.gz HCOARJZEIVOKOX-XIEYBQDHSA-N 0 1 357.501 4.554 50 30 FJEAMN C(=C/c1ccccc1)\C=N\N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019773118 263376676 /nfs/dbraw/zinc/37/66/76/263376676.db2.gz GDUPRQHWKMSZPF-WGXYEJQQSA-N 0 1 355.485 4.657 50 30 FJEAMN C=CCc1c(C)nc(-c2ccccc2)nc1NN=Cc1ccc([N+](=O)[O-])cc1 ZINC000004764904 519120458 /nfs/dbraw/zinc/12/04/58/519120458.db2.gz BERRXIRFFXKUFA-HYARGMPZSA-N 0 1 373.416 4.535 50 30 FJEAMN C=CCc1ccc(OCCSc2nc3cccc(C)c3[nH]2)c(OC)c1 ZINC000015831926 519139366 /nfs/dbraw/zinc/13/93/66/519139366.db2.gz LPQLLUIQSXRMFK-UHFFFAOYSA-N 0 1 354.475 4.780 50 30 FJEAMN CCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(C)c2)cc1 ZINC000005892754 520322719 /nfs/dbraw/zinc/32/27/19/520322719.db2.gz DBDBIKKFWAACNL-DEDYPNTBSA-N 0 1 352.463 4.587 50 30 FJEAMN COc1cc(C=NNc2cccc(Cl)n2)ccc1OCc1ccccc1 ZINC000005661211 521992113 /nfs/dbraw/zinc/99/21/13/521992113.db2.gz OGEXCBKZAAGZBO-LPYMAVHISA-N 0 1 367.836 4.769 50 30 FJEAMN Cc1ccccc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000244742218 525092006 /nfs/dbraw/zinc/09/20/06/525092006.db2.gz ODVWGMMOKQFGKL-UHFFFAOYSA-N 0 1 367.496 4.717 50 30 FJEAMN COc1cccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)c1 ZINC000002325357 570519203 /nfs/dbraw/zinc/51/92/03/570519203.db2.gz ZXPGGTDRULSPKB-FYJGNVAPSA-N 0 1 366.490 4.796 50 30 FJEAMN Cc1cc([C@H]2c3c(C)n[nH]c3NC3=C2C(=O)CCC3)c(C)n1-c1ccccc1 ZINC000004864610 570552938 /nfs/dbraw/zinc/55/29/38/570552938.db2.gz DRWRKDZCNPTQAG-NRFANRHFSA-N 0 1 372.472 4.690 50 30 FJEAMN CCC1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccccc2)C1=O ZINC000004936854 570563325 /nfs/dbraw/zinc/56/33/25/570563325.db2.gz IJGWBVHPNOYBOJ-OJIBODITSA-N 0 1 365.502 4.548 50 30 FJEAMN Cc1c2cc3c(C)cc(=O)oc3c(C)c2oc1/C(=N/O)c1ccc(C)cc1 ZINC000012447464 570746578 /nfs/dbraw/zinc/74/65/78/570746578.db2.gz TTXHLRLFRMLKRI-FCDQGJHFSA-N 0 1 361.397 4.999 50 30 FJEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)CCC)c1ccnc2ccccc21 ZINC000072111996 570942677 /nfs/dbraw/zinc/94/26/77/570942677.db2.gz OHNDQUSNRRCMEC-ISFWSWAHSA-N 0 1 364.489 4.516 50 30 FJEAMN Clc1ccccc1Cn1cccc1C=NNc1nc2ccccc2s1 ZINC000001264775 571045520 /nfs/dbraw/zinc/04/55/20/571045520.db2.gz ZIOIARIGPDWTAP-CIAFOILYSA-N 0 1 366.877 4.667 50 30 FJEAMN Cc1ccsc1/C=C1\Oc2c(ccc([O-])c2C[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000009485293 571110972 /nfs/dbraw/zinc/11/09/72/571110972.db2.gz GGXICYRPSWUPLF-DZBQEORWSA-N 0 1 369.486 4.753 50 30 FJEAMN CCCCCCCCCCCCCCCC[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000071788290 571166813 /nfs/dbraw/zinc/16/68/13/571166813.db2.gz FDSLJAYOPNMZIY-UXHICEINSA-N 0 1 355.563 4.988 50 30 FJEAMN CC(=O)Nc1cccc(N=Cc2cc(Br)cc(Cl)c2O)c1 ZINC000252615143 571285956 /nfs/dbraw/zinc/28/59/56/571285956.db2.gz JPMFEBAWEXIHOC-UHFFFAOYSA-N 0 1 367.630 4.517 50 30 FJEAMN O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)c1ccccc1 ZINC000252629792 571289396 /nfs/dbraw/zinc/28/93/96/571289396.db2.gz UNWHPJZBMNHCLG-UHFFFAOYSA-N 0 1 373.437 4.962 50 30 FJEAMN O=C(Oc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1)c1ccccc1 ZINC000252629792 571289397 /nfs/dbraw/zinc/28/93/97/571289397.db2.gz UNWHPJZBMNHCLG-UHFFFAOYSA-N 0 1 373.437 4.962 50 30 FJEAMN Clc1cncc(Cl)c1N=NCc1ccc(Br)s1 ZINC000003909675 571353178 /nfs/dbraw/zinc/35/31/78/571353178.db2.gz JADOTDKEFZZQOL-CRKCGEKBSA-N 0 1 351.056 4.658 50 30 FJEAMN CC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1 ZINC000001051291 219359261 /nfs/dbraw/zinc/35/92/61/219359261.db2.gz DODYXZXPYQESOM-QGMBQPNBSA-N 0 1 367.630 4.517 50 30 FJEAMN CCc1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 ZINC000102424670 209235583 /nfs/dbraw/zinc/23/55/83/209235583.db2.gz MWNVFRSEKXYUOL-QGMBQPNBSA-N 0 1 354.631 4.827 50 30 FJEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)cc2)c1 ZINC000005900789 207122467 /nfs/dbraw/zinc/12/24/67/207122467.db2.gz VFASIPMTFHMMME-YBFXNURJSA-N 0 1 358.854 4.542 50 30 FJEAMN Fc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000019861289 220302197 /nfs/dbraw/zinc/30/21/97/220302197.db2.gz KVCXQWRUVRNOHS-YZSQISJMSA-N 0 1 371.459 4.547 50 30 FJEAMN COc1ccc(C(=O)/C=C/C2=C(N3CCCCC3)Cc3ccccc32)cc1 ZINC000055129804 221060443 /nfs/dbraw/zinc/06/04/43/221060443.db2.gz RNGOWLDMNPPYJN-BUHFOSPRSA-N 0 1 359.469 4.887 50 30 FJEAMN Cc1nn(C)c(Oc2ccc(Cl)cc2)c1-c1nc2ccc(C#N)cc2[nH]1 ZINC000067742016 221279304 /nfs/dbraw/zinc/27/93/04/221279304.db2.gz RHDQOKMQKMKIEY-UHFFFAOYSA-N 0 1 363.808 4.589 50 30 FJEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000102583092 222301314 /nfs/dbraw/zinc/30/13/14/222301314.db2.gz YXOMFUJIVKSXHG-SELCWUDQSA-N 0 1 369.848 4.562 50 30 FJEAMN C#CCN(Cc1nc(-c2ccc(F)c(OC)c2)oc1C)C1CCCCC1 ZINC000020513971 518262344 /nfs/dbraw/zinc/26/23/44/518262344.db2.gz OZXWUZSJCVKOLK-UHFFFAOYSA-N 0 1 356.441 4.566 50 30 FJEAMN C=CCNCc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000247972844 518954351 /nfs/dbraw/zinc/95/43/51/518954351.db2.gz DWVBYORVOCNHPH-UHFFFAOYSA-N 0 1 373.287 4.576 50 30 FJEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1sccc1C)O2 ZINC000020650574 520417601 /nfs/dbraw/zinc/41/76/01/520417601.db2.gz DOVDJUQTRQGIHK-BOPFTXTBSA-N 0 1 357.475 4.610 50 30 FJEAMN CC[C@H](C)Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1OC ZINC000015008665 521763008 /nfs/dbraw/zinc/76/30/08/521763008.db2.gz RIDXCKRHXDWFRT-DZUMZMOTSA-N 0 1 355.463 4.928 50 30 FJEAMN CC[C@H](C)Oc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1OC ZINC000015008665 521763012 /nfs/dbraw/zinc/76/30/12/521763012.db2.gz RIDXCKRHXDWFRT-DZUMZMOTSA-N 0 1 355.463 4.928 50 30 FJEAMN CC[C@@H](C)Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1OC ZINC000033893756 522260029 /nfs/dbraw/zinc/26/00/29/522260029.db2.gz RIDXCKRHXDWFRT-UAAGNOOKSA-N 0 1 355.463 4.928 50 30 FJEAMN CC[C@@H](C)Oc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1OC ZINC000033893756 522260036 /nfs/dbraw/zinc/26/00/36/522260036.db2.gz RIDXCKRHXDWFRT-UAAGNOOKSA-N 0 1 355.463 4.928 50 30 FJEAMN CN(C)/C=N/C(=N\OCc1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000004323295 523967532 /nfs/dbraw/zinc/96/75/32/523967532.db2.gz XGIYMKFRLFPLRV-SZEFWNCNSA-N 0 1 368.239 4.601 50 30 FJEAMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1ccccc1Br ZINC000001302197 570497056 /nfs/dbraw/zinc/49/70/56/570497056.db2.gz QLDRDCKQFLYWOP-LICLKQGHSA-N 0 1 365.300 4.633 50 30 FJEAMN CCCC1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2)C1=O ZINC000004888369 570555079 /nfs/dbraw/zinc/55/50/79/570555079.db2.gz VIKVZADFICWSDY-SQULJVTFSA-N 0 1 365.502 4.629 50 30 FJEAMN CC1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2)C1=O ZINC000004902068 570556844 /nfs/dbraw/zinc/55/68/44/570556844.db2.gz BEZYOBCLSRXWRT-HPNFSCGVSA-N 0 1 373.481 4.694 50 30 FJEAMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1ccc(Br)s1 ZINC000006227654 570643714 /nfs/dbraw/zinc/64/37/14/570643714.db2.gz YNCSZKXHXVCFKK-OVCLIPMQSA-N 0 1 371.329 4.695 50 30 FJEAMN CC(C)c1ccc(/N=C2\NC(=O)C(Cc3cccc(Cl)c3)S2)cc1 ZINC000005807927 570969209 /nfs/dbraw/zinc/96/92/09/570969209.db2.gz YFHRQTNXQCHASK-KRWDZBQOSA-N 0 1 358.894 4.925 50 30 FJEAMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccs2)O3)C1 ZINC000013654511 571110084 /nfs/dbraw/zinc/11/00/84/571110084.db2.gz NCMRWOGLPHBUSW-NEHIUCFPSA-N 0 1 369.486 4.548 50 30 FJEAMN Cc1ccc(C)n1-c1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041542280 571112847 /nfs/dbraw/zinc/11/28/47/571112847.db2.gz BJVOGACYHQPOJF-SFHVURJKSA-N 0 1 355.397 4.725 50 30 FJEAMN Cc1ccc(S(=O)(=O)Nc2ccccc2N=Cc2ccc(F)cc2)cc1 ZINC000254679547 571135710 /nfs/dbraw/zinc/13/57/10/571135710.db2.gz OMETVNRHDMJBAM-UHFFFAOYSA-N 0 1 368.433 4.686 50 30 FJEAMN COC(=O)c1scc(C)c1N=NC(C)c1cc(F)c(Cl)cc1F ZINC000003909128 571172339 /nfs/dbraw/zinc/17/23/39/571172339.db2.gz YGAVKWSFFQSLHK-UFWORHAWSA-N 0 1 358.797 4.611 50 30 FJEAMN COc1ccc(C(=O)/C=C\C2=C(N3CCCCC3)Cc3ccccc32)cc1 ZINC000033286248 571229960 /nfs/dbraw/zinc/22/99/60/571229960.db2.gz RNGOWLDMNPPYJN-YPKPFQOOSA-N 0 1 359.469 4.887 50 30 FJEAMN O=C(/C=C/c1cc(Cl)cc2c1COCO2)c1ccc2ccccc2c1O ZINC000004771245 571233854 /nfs/dbraw/zinc/23/38/54/571233854.db2.gz QDQIQBCUELSSSX-SOFGYWHQSA-N 0 1 366.800 4.961 50 30 FJEAMN CC1CCC(Nc2c(-c3ccc(Cl)cc3)[nH]c3c(C#N)cnn23)CC1 ZINC000006768557 571245571 /nfs/dbraw/zinc/24/55/71/571245571.db2.gz CIKVEWJUWHGIIW-UHFFFAOYSA-N 0 1 353.857 4.845 50 30 FJEAMN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)nc(-c2ccc(Cl)cc2)n1 ZINC000170063732 571261636 /nfs/dbraw/zinc/26/16/36/571261636.db2.gz MSZWVDVUZHLMKA-OAHLLOKOSA-N 0 1 362.864 4.828 50 30 FJEAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(C#N)cc3)n2)c1O ZINC000002395240 571321312 /nfs/dbraw/zinc/32/13/12/571321312.db2.gz PYNUVHQBXULRQM-UHFFFAOYSA-N 0 1 369.380 4.675 50 30 FJEAMN C=CCNC(=O)c1ccc(CN(CCC(C)C)Cc2ccc(C)s2)o1 ZINC000096280613 571335034 /nfs/dbraw/zinc/33/50/34/571335034.db2.gz UDBNNTSEDUYXGB-UHFFFAOYSA-N 0 1 360.523 4.614 50 30 FJEAMN Cc1ccc(/C=[NH+]\[N-]c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000031844625 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