smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)c(OC)c1 ZINC000009189276 132307781 /nfs/dbraw/zinc/30/77/81/132307781.db2.gz GFWFAWGMVSZSFT-MOSHPQCFSA-N 0 0 427.501 3.635 40 10 IHCBRN N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(N3CCCC3)=NN21 ZINC000041084900 526837288 /nfs/dbraw/zinc/83/72/88/526837288.db2.gz YDTIESKLKVLAKY-MKGVMWAWSA-N 0 0 427.511 3.837 40 10 IHCBRN N=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(N3CCCC3)=NN21 ZINC000041085033 526837416 /nfs/dbraw/zinc/83/74/16/526837416.db2.gz WXFZVZUZVRZULA-FBIWUZAXSA-N 0 0 431.521 3.938 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@H]12 ZINC000018057644 527128931 /nfs/dbraw/zinc/12/89/31/527128931.db2.gz ROOZMGFMZVXKTF-HKBOAZHASA-N 0 0 441.414 3.521 40 10 IHCBRN CCOc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000013504331 535417528 /nfs/dbraw/zinc/41/75/28/535417528.db2.gz NCIRWOJULFWKCQ-QHCPKHFHSA-N 0 0 436.560 3.573 40 10 IHCBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000408532330 555741452 /nfs/dbraw/zinc/74/14/52/555741452.db2.gz UFXFFNRBZXANNP-DHDCSXOGSA-N 0 0 441.939 3.605 40 10 IHCBRN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1 ZINC000002398399 555775951 /nfs/dbraw/zinc/77/59/51/555775951.db2.gz BYLJZVJGRYEKJK-RCCKNPSSSA-N 0 0 446.532 3.850 40 10 IHCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000408553096 555881770 /nfs/dbraw/zinc/88/17/70/555881770.db2.gz XCMKNKSWTGBQMF-YBFXNURJSA-N 0 0 427.501 3.892 40 10 IHCBRN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccco2)SC1=S ZINC000033527026 556564930 /nfs/dbraw/zinc/56/49/30/556564930.db2.gz XFOWIFPNKZDEBO-NCUBORBFSA-N 0 0 425.535 3.710 40 10 IHCBRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N(CCO)c1ccccc1 ZINC000001894837 556797862 /nfs/dbraw/zinc/79/78/62/556797862.db2.gz VMCHTMUMBIONGD-VKAVYKQESA-N 0 0 432.592 3.755 40 10 IHCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408870403 556874726 /nfs/dbraw/zinc/87/47/26/556874726.db2.gz VHAFBYXYUMWYNH-UHFFFAOYSA-N 0 0 444.940 3.849 40 10 IHCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408876287 556876672 /nfs/dbraw/zinc/87/66/72/556876672.db2.gz NRPQOPNKWUOTJO-UHFFFAOYSA-N 0 0 430.913 3.540 40 10 IHCBRN CCOc1cc(/C=C2\C(=O)N(c3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)ccc1O ZINC000409054530 556938359 /nfs/dbraw/zinc/93/83/59/556938359.db2.gz BHNCBVOCESUURF-BOPFTXTBSA-N 0 0 439.464 3.685 40 10 IHCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C1=O ZINC000409122740 556961992 /nfs/dbraw/zinc/96/19/92/556961992.db2.gz BILPMGBSSHEWLM-XDHOZWIPSA-N 0 0 428.510 3.872 40 10 IHCBRN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409142163 556972878 /nfs/dbraw/zinc/97/28/78/556972878.db2.gz RPPHEJLWMIJAEF-SXGWCWSVSA-N 0 0 446.370 3.730 40 10 IHCBRN Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000409149008 556974095 /nfs/dbraw/zinc/97/40/95/556974095.db2.gz VSDBRPAEUDITBY-DEDYPNTBSA-N 0 0 430.533 3.937 40 10 IHCBRN NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409210187 557004667 /nfs/dbraw/zinc/00/46/67/557004667.db2.gz IORKKQOVYRDQGR-DHDCSXOGSA-N 0 0 449.351 3.719 40 10 IHCBRN COc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000006144441 557012693 /nfs/dbraw/zinc/01/26/93/557012693.db2.gz NQUPGJZOCGMEGD-SMIHKQSGSA-N 0 0 443.503 3.812 40 10 IHCBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O ZINC000409242604 557032561 /nfs/dbraw/zinc/03/25/61/557032561.db2.gz WWDUVDYSBUPPNN-CPNJWEJPSA-N 0 0 428.510 3.954 40 10 IHCBRN CCCOc1c(I)cc(/C=C2/SC(=S)N(C)C2=O)cc1OC ZINC000409330030 557064443 /nfs/dbraw/zinc/06/44/43/557064443.db2.gz JBWJPLZGUYTWAS-XYOKQWHBSA-N 0 0 449.335 3.920 40 10 IHCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(C)C2=O)cc1OC ZINC000409342458 557070023 /nfs/dbraw/zinc/07/00/23/557070023.db2.gz FDVXZGQMFARKEA-XFFZJAGNSA-N 0 0 435.308 3.530 40 10 IHCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409345176 557072800 /nfs/dbraw/zinc/07/28/00/557072800.db2.gz KDOZFJVMZHWIDH-MHWRWJLKSA-N 0 0 430.463 3.552 40 10 IHCBRN CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1 ZINC000409354205 557080797 /nfs/dbraw/zinc/08/07/97/557080797.db2.gz ADQDQZVCRYRJPN-OQLLNIDSSA-N 0 0 435.427 3.845 40 10 IHCBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1F)c1ccccc1F ZINC000008810703 557173047 /nfs/dbraw/zinc/17/30/47/557173047.db2.gz ZMMMCVDRIKIZSY-UHFFFAOYSA-N 0 0 432.404 3.747 40 10 IHCBRN C[C@@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218288012 557188208 /nfs/dbraw/zinc/18/82/08/557188208.db2.gz YWCMSIHBFAIVBS-AQNXPRMDSA-N 0 0 443.613 3.955 40 10 IHCBRN Cc1cc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)cc(C)c1Br ZINC000218841269 557218374 /nfs/dbraw/zinc/21/83/74/557218374.db2.gz OQZBJLXIHQYZKK-UHFFFAOYSA-N 0 0 433.346 3.598 40 10 IHCBRN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1 ZINC000112290051 557238781 /nfs/dbraw/zinc/23/87/81/557238781.db2.gz OBJBHBUZOROZHX-UNOMPAQXSA-N 0 0 428.832 3.900 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000100323913 557257765 /nfs/dbraw/zinc/25/77/65/557257765.db2.gz CEOFLJUWINRSDL-QHAWAJNXSA-N 0 0 429.472 3.510 40 10 IHCBRN COc1cc(N2CCOCC2)c(OC)cc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222596239 557358469 /nfs/dbraw/zinc/35/84/69/557358469.db2.gz LOGGNXOYPXWLDM-ARBPTSGCSA-N 0 0 440.569 3.525 40 10 IHCBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000015056055 557457540 /nfs/dbraw/zinc/45/75/40/557457540.db2.gz FNJFWZKTWADWHJ-SXGWCWSVSA-N 0 0 434.926 3.855 40 10 IHCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223695282 557503077 /nfs/dbraw/zinc/50/30/77/557503077.db2.gz BJUPHPHUSGCCLI-FGZHOGPDSA-N 0 0 449.580 3.728 40 10 IHCBRN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCc1ccc(Cl)cc1 ZINC000019637172 557503227 /nfs/dbraw/zinc/50/32/27/557503227.db2.gz BKKWQROGEXABNG-MOSHPQCFSA-N 0 0 442.859 3.578 40 10 IHCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000223715075 557505369 /nfs/dbraw/zinc/50/53/69/557505369.db2.gz BSIZJOLDWXGCOJ-DHIUTWEWSA-N 0 0 449.580 3.810 40 10 IHCBRN CN(C)c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1 ZINC000020121806 557515372 /nfs/dbraw/zinc/51/53/72/557515372.db2.gz BKFNTAVUXJMPPG-DEOSSOPVSA-N 0 0 431.588 3.766 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000224592558 557628439 /nfs/dbraw/zinc/62/84/39/557628439.db2.gz IWKOQUJTIDPSIO-INIZCTEOSA-N 0 0 437.993 3.657 40 10 IHCBRN COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000058866209 557812343 /nfs/dbraw/zinc/81/23/43/557812343.db2.gz FALRFFTVRRYFFN-UHFFFAOYSA-N 0 0 438.432 3.757 40 10 IHCBRN Cc1[nH]c(=S)n(NC(=S)Nc2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000245239010 557849796 /nfs/dbraw/zinc/84/97/96/557849796.db2.gz DMDXKVWVNFTMHX-HNNXBMFYSA-N 0 0 441.498 3.537 40 10 IHCBRN CCC[C@@H](Nc1cccc(-n2cnnc2)c1)[C@@H]1CN(c2ccc3c(c2)OCCO3)CC[C@H]1O ZINC000257260631 568693199 /nfs/dbraw/zinc/69/31/99/568693199.db2.gz LDRMYIHDWLRWAN-YTFSRNRJSA-N 0 0 449.555 3.507 40 10 IHCBRN CCOC(=O)c1ccccc1NC(=O)C[C@H]1SC(=S)N(CCc2ccccc2)C1=O ZINC000009024712 568794121 /nfs/dbraw/zinc/79/41/21/568794121.db2.gz BIIFLWHUZCOROI-GOSISDBHSA-N 0 0 442.562 3.664 40 10 IHCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)N(CCO)c2ccccc2)C1=O ZINC000016712726 568894014 /nfs/dbraw/zinc/89/40/14/568894014.db2.gz JVAOEXDDELQTEU-BJOFFIMRSA-N 0 0 438.574 3.860 40 10 IHCBRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OCC ZINC000034763239 569260048 /nfs/dbraw/zinc/26/00/48/569260048.db2.gz NCBHNXQTUNPFQP-ZROIWOOFSA-N 0 0 429.947 3.902 40 10 IHCBRN CCN1C(=O)/C(=C/c2cc(Cl)cc(I)c2O)SC1=S ZINC000107875708 569260683 /nfs/dbraw/zinc/26/06/83/569260683.db2.gz XODIXLQVZSBUQA-WTKPLQERSA-N 0 0 425.700 3.871 40 10 IHCBRN CCN1C(=O)/C(=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)C(C(=O)OC)=C1C ZINC000108974044 569260903 /nfs/dbraw/zinc/26/09/03/569260903.db2.gz KFQBFXSDKATYMN-JVDNRXPZSA-N 0 0 448.519 3.635 40 10 IHCBRN COC(=O)c1ccccc1NCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000008781442 569290677 /nfs/dbraw/zinc/29/06/77/569290677.db2.gz QGPQFECQFOYCGU-MHWRWJLKSA-N 0 0 429.479 3.652 40 10 IHCBRN CCOc1cc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)ccc1O ZINC000008821898 132294970 /nfs/dbraw/zinc/29/49/70/132294970.db2.gz GISKOEZFEBYZCX-ZHZULCJRSA-N 0 0 427.501 3.723 40 10 IHCBRN CN(C)c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013503869 132347432 /nfs/dbraw/zinc/34/74/32/132347432.db2.gz WCRNZEQYRYHKCC-DEOSSOPVSA-N 0 0 449.578 3.905 40 10 IHCBRN CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000013504109 132347762 /nfs/dbraw/zinc/34/77/62/132347762.db2.gz BZDDTNHONUOYLI-QFIPXVFZSA-N 0 0 438.551 3.878 40 10 IHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCCOc1ccccc1 ZINC000041082602 521959365 /nfs/dbraw/zinc/95/93/65/521959365.db2.gz DCUNUYHETMJJFN-ZWPOCWBHSA-N 0 0 433.464 3.993 40 10 IHCBRN COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1C ZINC000041085193 524299915 /nfs/dbraw/zinc/29/99/15/524299915.db2.gz WHEZXAHHZJBBNL-YHBINRDGSA-N 0 0 448.552 3.775 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]12 ZINC000018180147 527128097 /nfs/dbraw/zinc/12/80/97/527128097.db2.gz HBEGEVRYDQYKLS-HKBOAZHASA-N 0 0 441.414 3.521 40 10 IHCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N(C)Cc3ccccc3)C2=O)cc1 ZINC000008819139 556218711 /nfs/dbraw/zinc/21/87/11/556218711.db2.gz SHTXQRQJQIRQKI-UYRXBGFRSA-N 0 0 426.563 3.945 40 10 IHCBRN CCOc1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1OC ZINC000008821339 556222557 /nfs/dbraw/zinc/22/25/57/556222557.db2.gz QJZBZSRLZOATQC-PDGQHHTCSA-N 0 0 428.535 3.569 40 10 IHCBRN Cc1c(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000008821705 556223689 /nfs/dbraw/zinc/22/36/89/556223689.db2.gz YPCBMXKGPSEKOP-ATVHPVEESA-N 0 0 447.545 3.767 40 10 IHCBRN COc1ccc(CCNC(=O)c2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1OC ZINC000008869998 556228766 /nfs/dbraw/zinc/22/87/66/556228766.db2.gz NCJHRLHEEPZMHJ-UYRXBGFRSA-N 0 0 442.562 3.507 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O ZINC000009188516 556251113 /nfs/dbraw/zinc/25/11/13/556251113.db2.gz LOVFGXVLHBYLMA-SXGWCWSVSA-N 0 0 434.926 3.619 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(N)=O ZINC000009188587 556251351 /nfs/dbraw/zinc/25/13/51/556251351.db2.gz JBFVRQGXBRFMPD-ZDLGFXPLSA-N 0 0 428.535 3.582 40 10 IHCBRN COc1ccc(CN2C(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)SC2=S)cc1 ZINC000016216731 556592127 /nfs/dbraw/zinc/59/21/27/556592127.db2.gz BCLIJVAABUJUND-REZTVBANSA-N 0 0 430.463 3.734 40 10 IHCBRN Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000018154180 556685277 /nfs/dbraw/zinc/68/52/77/556685277.db2.gz LLQLPNKAGQWUKU-BHIFYINESA-N 0 0 437.451 3.690 40 10 IHCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(Br)ccc1OC ZINC000408895255 556880616 /nfs/dbraw/zinc/88/06/16/556880616.db2.gz UNPFEYRSGOZCOL-YVLHZVERSA-N 0 0 443.297 3.726 40 10 IHCBRN CCOc1cc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(C)=C2C(=O)OC)ccc1O ZINC000408894912 556880644 /nfs/dbraw/zinc/88/06/44/556880644.db2.gz SFTNAEFSMCVZMU-ZHZULCJRSA-N 0 0 437.492 3.715 40 10 IHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1OC ZINC000408891919 556881380 /nfs/dbraw/zinc/88/13/80/556881380.db2.gz FIKDOFZCDFDCHS-CYVLTUHYSA-N 0 0 437.492 3.628 40 10 IHCBRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1 ZINC000019818228 556920728 /nfs/dbraw/zinc/92/07/28/556920728.db2.gz HEDGLHKHMYAIGR-LEWJYISDSA-N 0 0 437.496 3.609 40 10 IHCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409046817 556931314 /nfs/dbraw/zinc/93/13/14/556931314.db2.gz MNLVHCTVFOZASY-UHFFFAOYSA-N 0 0 425.268 3.626 40 10 IHCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C ZINC000409056618 556934167 /nfs/dbraw/zinc/93/41/67/556934167.db2.gz HNCXJLACPJTNFR-RGEXLXHISA-N 0 0 426.488 3.942 40 10 IHCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000409059614 556936881 /nfs/dbraw/zinc/93/68/81/556936881.db2.gz RCROUGSXSMSNOW-BOPFTXTBSA-N 0 0 439.464 3.598 40 10 IHCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O ZINC000409221612 557017157 /nfs/dbraw/zinc/01/71/57/557017157.db2.gz SXLJTIPVPCFEPA-XSFVSMFZSA-N 0 0 436.487 3.520 40 10 IHCBRN CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(N=Nc4ccc(C)cc4)cc3)C(=O)[C@@H]12 ZINC000409288148 557051490 /nfs/dbraw/zinc/05/14/90/557051490.db2.gz DFFXCRSDAKDQRZ-VXCYBAHASA-N 0 0 431.448 3.787 40 10 IHCBRN O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 ZINC000409338676 557073751 /nfs/dbraw/zinc/07/37/51/557073751.db2.gz OFIVHBCUFCAIOV-WOJGMQOQSA-N 0 0 445.497 3.976 40 10 IHCBRN COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000409348550 557076490 /nfs/dbraw/zinc/07/64/90/557076490.db2.gz ONYPCPCFBABNOH-CNHKJKLMSA-N 0 0 431.491 3.847 40 10 IHCBRN CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCC3)c(OCC)c2)SC1=S ZINC000409363843 557083361 /nfs/dbraw/zinc/08/33/61/557083361.db2.gz UPYORSQGTZCJJS-QGOAFFKASA-N 0 0 434.583 3.698 40 10 IHCBRN O=C1S/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106740838 557160122 /nfs/dbraw/zinc/16/01/22/557160122.db2.gz PDSJRCCKVRFZSR-UYRXBGFRSA-N 0 0 425.466 3.668 40 10 IHCBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)cc1 ZINC000106763000 557161129 /nfs/dbraw/zinc/16/11/29/557161129.db2.gz SUWKEFVKUFQXCI-MOSHPQCFSA-N 0 0 439.537 3.761 40 10 IHCBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(OC)cc1 ZINC000100157721 557245265 /nfs/dbraw/zinc/24/52/65/557245265.db2.gz NJVBRKXLHFSWML-MOSHPQCFSA-N 0 0 436.493 3.957 40 10 IHCBRN Cc1[nH]c(=S)n(NC(=S)Nc2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000100643930 557267282 /nfs/dbraw/zinc/26/72/82/557267282.db2.gz DMDXKVWVNFTMHX-SKAIHHOBSA-N 0 0 441.498 3.537 40 10 IHCBRN CCc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000220284688 557290095 /nfs/dbraw/zinc/29/00/95/557290095.db2.gz QGIKIBQPFIQUDF-IBGZPJMESA-N 0 0 443.613 3.710 40 10 IHCBRN COC(=O)Cc1cc2c(n1-c1ccc(I)cc1)CC(C)(C)CC2=O ZINC000072221218 557343046 /nfs/dbraw/zinc/34/30/46/557343046.db2.gz CRLZVSIUTAGYSO-UHFFFAOYSA-N 0 0 437.277 3.953 40 10 IHCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cccc(O)c1 ZINC000033532810 557408541 /nfs/dbraw/zinc/40/85/41/557408541.db2.gz JBAFVQSNLKFYRF-JQJCZHNNSA-N 0 0 442.504 3.862 40 10 IHCBRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224496521 557612895 /nfs/dbraw/zinc/61/28/95/557612895.db2.gz VFZBZHVFFBSDRL-UHFFFAOYSA-N 0 0 437.565 3.816 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000225470939 557726720 /nfs/dbraw/zinc/72/67/20/557726720.db2.gz FOIUEKOCXYFPRB-UHFFFAOYSA-N 0 0 435.565 3.535 40 10 IHCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225681722 557762555 /nfs/dbraw/zinc/76/25/55/557762555.db2.gz LPRDYLAZVAGRFC-CVEARBPZSA-N 0 0 445.610 3.876 40 10 IHCBRN COc1ccc(N(C)CCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000225799299 557778793 /nfs/dbraw/zinc/77/87/93/557778793.db2.gz OSIAAMAJQUHAIZ-UHFFFAOYSA-N 0 0 426.586 3.744 40 10 IHCBRN CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(Br)c2)SC1=S ZINC000001809326 568788405 /nfs/dbraw/zinc/78/84/05/568788405.db2.gz SFABKDZSTXPBDO-JYRVWZFOSA-N 0 0 430.345 3.612 40 10 IHCBRN COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(C)C1=O ZINC000026743491 568915760 /nfs/dbraw/zinc/91/57/60/568915760.db2.gz UTOBCGJAZITVOH-PDGQHHTCSA-N 0 0 446.506 3.892 40 10 IHCBRN C[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000022335348 569259233 /nfs/dbraw/zinc/25/92/33/569259233.db2.gz NJHRQENFWSVOOE-ZWKOTPCHSA-N 0 0 447.576 3.705 40 10 IHCBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)S1 ZINC000033439077 569259336 /nfs/dbraw/zinc/25/93/36/569259336.db2.gz LPHNWUSHYRBZLY-NVMNQCDNSA-N 0 0 443.912 3.772 40 10 IHCBRN COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 ZINC000009423538 569296213 /nfs/dbraw/zinc/29/62/13/569296213.db2.gz LYWNPVXGAPZUCK-DXBBTUNJSA-N 0 0 436.895 3.636 40 10 IHCBRN COc1cc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc(OC)c1OC ZINC000008834382 132295742 /nfs/dbraw/zinc/29/57/42/132295742.db2.gz VMLIJKYJAFQYPR-HKWRFOASSA-N 0 0 439.537 3.505 40 10 IHCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C(C)C)c3ccc4ncccc4c3)CC2)cc1 ZINC000013150752 132345920 /nfs/dbraw/zinc/34/59/20/132345920.db2.gz ZRHISPODYFWSAG-XMMPIXPASA-N 0 0 443.555 3.722 40 10 IHCBRN COC(=O)COc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cccc1OC ZINC000408534718 555752999 /nfs/dbraw/zinc/75/29/99/555752999.db2.gz UFMBPCVUKGWNAT-BOPFTXTBSA-N 0 0 429.519 3.648 40 10 IHCBRN COc1cc2c(cc1OC)[C@H](C[S@](C)=O)Cc1cc(OC)c(OC)cc1N(C)CCC2 ZINC000005389553 556049573 /nfs/dbraw/zinc/04/95/73/556049573.db2.gz GOUIEKVBVCPHCS-FZEVHQGJSA-N 0 0 447.597 3.808 40 10 IHCBRN CC(C)Cc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)s1 ZINC000008820311 556220080 /nfs/dbraw/zinc/22/00/80/556220080.db2.gz JQBORENCBDBIGM-JLHYYAGUSA-N 0 0 436.584 3.950 40 10 IHCBRN COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)cc(OC)c1OC ZINC000032109558 556530010 /nfs/dbraw/zinc/53/00/10/556530010.db2.gz ATFTVHATNQGALD-DALCUZTNSA-N 0 0 436.493 3.688 40 10 IHCBRN O=C1C(F)=CC(=NN=c2s[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc32)C=C1F ZINC000016431368 556607479 /nfs/dbraw/zinc/60/74/79/556607479.db2.gz XUULLKTZOISKMK-QZQOTICOSA-N 0 0 440.453 3.716 40 10 IHCBRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000019644503 556839192 /nfs/dbraw/zinc/83/91/92/556839192.db2.gz NTDKCKWHAFXCOG-UHFFFAOYSA-N 0 0 446.484 3.606 40 10 IHCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000408892140 556881411 /nfs/dbraw/zinc/88/14/11/556881411.db2.gz GNUCVOAWURLQRC-NSIKDUERSA-N 0 0 436.302 3.897 40 10 IHCBRN CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408915016 556890069 /nfs/dbraw/zinc/89/00/69/556890069.db2.gz SYNPLVAWQDBAML-MHWRWJLKSA-N 0 0 430.913 3.574 40 10 IHCBRN COC(=O)COc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1 ZINC000409001144 556914362 /nfs/dbraw/zinc/91/43/62/556914362.db2.gz HGVXCPUHQVCVLC-QAIWHXNASA-N 0 0 435.476 3.672 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1O ZINC000409077668 556944283 /nfs/dbraw/zinc/94/42/83/556944283.db2.gz FFEYEFCUMRUVNA-WBERELSBSA-N 0 0 430.345 3.544 40 10 IHCBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)c(F)c3)C2=O)c1 ZINC000409104299 556952897 /nfs/dbraw/zinc/95/28/97/556952897.db2.gz CLCWRELZIGKCHE-XSFVSMFZSA-N 0 0 436.487 3.656 40 10 IHCBRN CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)NCc3ccco3)c21 ZINC000409134383 556968687 /nfs/dbraw/zinc/96/86/87/556968687.db2.gz OBTKHTCSWOURHL-ZDLGFXPLSA-N 0 0 439.562 3.944 40 10 IHCBRN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1O ZINC000409142876 556975198 /nfs/dbraw/zinc/97/51/98/556975198.db2.gz DGCBEAFPPQEPOS-CXUHLZMHSA-N 0 0 434.926 3.909 40 10 IHCBRN Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1 ZINC000409200742 557000143 /nfs/dbraw/zinc/00/01/43/557000143.db2.gz ITWGBSLLFBORAK-STZFKDTASA-N 0 0 435.549 3.948 40 10 IHCBRN CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(CC)C1=O ZINC000409339021 557074087 /nfs/dbraw/zinc/07/40/87/557074087.db2.gz DIJQHJMQAIGSBB-JYRVWZFOSA-N 0 0 430.345 3.612 40 10 IHCBRN NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000009236074 557183903 /nfs/dbraw/zinc/18/39/03/557183903.db2.gz QHCYIQPJNOHWRR-OVCLIPMQSA-N 0 0 438.452 3.975 40 10 IHCBRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000010113648 557206187 /nfs/dbraw/zinc/20/61/87/557206187.db2.gz NQKQCKBGIMCBJS-UHFFFAOYSA-N 0 0 441.597 3.700 40 10 IHCBRN CC[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220517817 557298455 /nfs/dbraw/zinc/29/84/55/557298455.db2.gz VCIZRWZVYMXHII-HSZRJFAPSA-N 0 0 443.613 3.846 40 10 IHCBRN Cc1ccc(CN(CC(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000222882379 557397762 /nfs/dbraw/zinc/39/77/62/557397762.db2.gz XXOPTVBYNQDCLI-FQEVSTJZSA-N 0 0 443.613 3.624 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000223160019 557439993 /nfs/dbraw/zinc/43/99/93/557439993.db2.gz UCJJDKJBZRQGOF-UHFFFAOYSA-N 0 0 431.602 3.704 40 10 IHCBRN CCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1OC ZINC000014414425 557445659 /nfs/dbraw/zinc/44/56/59/557445659.db2.gz MBNPGGICCPBNRL-MOSHPQCFSA-N 0 0 437.492 3.975 40 10 IHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cc(Cl)ccc1O ZINC000223570134 557487374 /nfs/dbraw/zinc/48/73/74/557487374.db2.gz NEDLUXXRJSBOHB-NHCUHLMSSA-N 0 0 442.972 3.813 40 10 IHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cc(Cl)ccc1O ZINC000223570190 557487379 /nfs/dbraw/zinc/48/73/79/557487379.db2.gz NEDLUXXRJSBOHB-RTWAWAEBSA-N 0 0 442.972 3.813 40 10 IHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223579842 557488344 /nfs/dbraw/zinc/48/83/44/557488344.db2.gz MVLSYIAXLLEQAD-PKTZIBPZSA-N 0 0 435.597 3.520 40 10 IHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223579890 557488380 /nfs/dbraw/zinc/48/83/80/557488380.db2.gz MVLSYIAXLLEQAD-XZOQPEGZSA-N 0 0 435.597 3.520 40 10 IHCBRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260577877 557494618 /nfs/dbraw/zinc/49/46/18/557494618.db2.gz NYVLPQAZSLBFKX-PMACEKPBSA-N 0 0 443.613 3.729 40 10 IHCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223660622 557498744 /nfs/dbraw/zinc/49/87/44/557498744.db2.gz XDYNOFMLGYJCQN-XZOQPEGZSA-N 0 0 449.580 3.728 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 ZINC000195609652 557521174 /nfs/dbraw/zinc/52/11/74/557521174.db2.gz LPUGVMIBQJLKGB-NRFANRHFSA-N 0 0 443.613 3.558 40 10 IHCBRN Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000059139340 557816689 /nfs/dbraw/zinc/81/66/89/557816689.db2.gz ROZWEWOSXYCQCD-UHFFFAOYSA-N 0 0 448.504 3.505 40 10 IHCBRN COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3ccc(N(C)C)cc3)n2)cc1 ZINC000015675693 560094937 /nfs/dbraw/zinc/09/49/37/560094937.db2.gz PGGJGXFRHLHJEP-QFIPXVFZSA-N 0 0 430.512 3.834 40 10 biogenic,in-vitro IHCBRN CCCCCCN1c2ccccc2/C(=C2/SC(=S)N([C@@H](C)C(=O)OC)C2=O)C1=O ZINC000027563179 568863852 /nfs/dbraw/zinc/86/38/52/568863852.db2.gz CXIZCCQZEWMMSG-WPCFGXOUSA-N 0 0 432.567 3.746 40 10 IHCBRN COc1ccc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3OC)CC2)c([N+](=O)[O-])c1 ZINC000033386105 569259206 /nfs/dbraw/zinc/25/92/06/569259206.db2.gz SXWDGGCAFIXVAL-UHFFFAOYSA-N 0 0 440.283 3.881 40 10 IHCBRN C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)C(C)=C2C(=O)OC)c1 ZINC000033422060 569259277 /nfs/dbraw/zinc/25/92/77/569259277.db2.gz HSQTVWYPRVZMTB-QNGOZBTKSA-N 0 0 433.460 3.915 40 10 IHCBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000106400373 569260556 /nfs/dbraw/zinc/26/05/56/569260556.db2.gz YGRSVIBUWOLDRY-BHDDXSALSA-N 0 0 437.451 3.690 40 10 IHCBRN O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000208640456 569261362 /nfs/dbraw/zinc/26/13/62/569261362.db2.gz OOLBFBATNSGKCD-AQTBWJFISA-N 0 0 427.507 3.837 40 10 IHCBRN COc1ccc(N2CCN([C@@H](c3nnnn3Cc3ccco3)c3ccc(C)cc3)CC2)cc1 ZINC000013505048 132348600 /nfs/dbraw/zinc/34/86/00/132348600.db2.gz JCUYAVDDOMKCFW-XMMPIXPASA-N 0 0 444.539 3.543 40 10 IHCBRN Cc1cccc(N2CCN([C@@H](c3nnnn3C(C)C)c3ccc(N(C)C)cc3)CC2)c1C ZINC000035289894 524560017 /nfs/dbraw/zinc/56/00/17/524560017.db2.gz MMCHXKLKJQXUDG-XMMPIXPASA-N 0 0 433.604 3.848 40 10 IHCBRN Cc1c(N2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000008870217 556229232 /nfs/dbraw/zinc/22/92/32/556229232.db2.gz IMVYXLUFVFFYBV-PDGQHHTCSA-N 0 0 435.530 3.703 40 10 IHCBRN O=Cc1ccc(/C=C2\SC(=S)N(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000008870215 556229318 /nfs/dbraw/zinc/22/93/18/556229318.db2.gz DTSPOHPDUUVSKH-APSNUPSMSA-N 0 0 429.435 3.717 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCC(N)=O ZINC000009188669 556251701 /nfs/dbraw/zinc/25/17/01/556251701.db2.gz VLSPEQQHSFSTQN-NCUBORBFSA-N 0 0 428.535 3.522 40 10 IHCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)SC1=S ZINC000032125030 556533982 /nfs/dbraw/zinc/53/39/82/556533982.db2.gz IWWNNXBUNMRFKP-YBEGLDIGSA-N 0 0 435.552 3.635 40 10 IHCBRN Cc1ccc(N(CCCC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1C ZINC000013671249 556552115 /nfs/dbraw/zinc/55/21/15/556552115.db2.gz RROLVBUUEJYCFX-UHFFFAOYSA-N 0 0 443.613 3.766 40 10 IHCBRN COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OC)cc1 ZINC000408776642 556847412 /nfs/dbraw/zinc/84/74/12/556847412.db2.gz YARDDSOSNBHDQF-BKUYFWCQSA-N 0 0 435.476 3.732 40 10 IHCBRN Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000408846635 556869007 /nfs/dbraw/zinc/86/90/07/556869007.db2.gz RALIPFITWIMNDC-UDWIEESQSA-N 0 0 443.459 3.831 40 10 IHCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408867298 556873960 /nfs/dbraw/zinc/87/39/60/556873960.db2.gz LIEULZTZTDQBDZ-UHFFFAOYSA-N 0 0 428.941 3.861 40 10 IHCBRN COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2c(C)ccc3ccccc32)c1 ZINC000408874065 556875761 /nfs/dbraw/zinc/87/57/61/556875761.db2.gz ZDNJXYQQSYJCGA-UHFFFAOYSA-N 0 0 432.501 3.650 40 10 IHCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408884259 556877784 /nfs/dbraw/zinc/87/77/84/556877784.db2.gz XMUXETMCQRGQLE-UHFFFAOYSA-N 0 0 435.332 3.897 40 10 IHCBRN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409001719 556914570 /nfs/dbraw/zinc/91/45/70/556914570.db2.gz QWFOSKOXXAYFPC-UHFFFAOYSA-N 0 0 449.507 3.727 40 10 IHCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1OC ZINC000409007119 556916512 /nfs/dbraw/zinc/91/65/12/556916512.db2.gz NXVSSLXRUQSSCH-WQLSENKSSA-N 0 0 449.335 3.920 40 10 IHCBRN COCCN1C(=O)/C(=C/c2cccn2-c2cccc(C)c2)C(=O)N(c2ccccc2)C1=O ZINC000409014628 556920564 /nfs/dbraw/zinc/92/05/64/556920564.db2.gz XRRLVSGWSCFJDW-XLNRJJMWSA-N 0 0 429.476 3.811 40 10 IHCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000409037203 556929063 /nfs/dbraw/zinc/92/90/63/556929063.db2.gz SNSPEJVWEIBFNR-WAPJZHGLSA-N 0 0 441.268 3.825 40 10 IHCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)OC)c3ccc(Br)cc23)SC1=S ZINC000409124528 556964382 /nfs/dbraw/zinc/96/43/82/556964382.db2.gz AUKZUCDWDINLBM-NSIKDUERSA-N 0 0 439.356 3.798 40 10 IHCBRN COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2ccccc21 ZINC000409125325 556964928 /nfs/dbraw/zinc/96/49/28/556964928.db2.gz NCUOQPSQJGSODE-ODLFYWEKSA-N 0 0 445.610 3.651 40 10 IHCBRN CCOc1cc(OCC)c(C[C@@H]2SC(=S)N(CCOC)C2=O)cc1Br ZINC000409144311 556975965 /nfs/dbraw/zinc/97/59/65/556975965.db2.gz JPPUCFJDBMBOSR-HNNXBMFYSA-N 0 0 448.404 3.664 40 10 IHCBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O ZINC000409228044 557014975 /nfs/dbraw/zinc/01/49/75/557014975.db2.gz SULPEYGWRXELGV-CPNJWEJPSA-N 0 0 428.510 3.954 40 10 IHCBRN Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000409245265 557027024 /nfs/dbraw/zinc/02/70/24/557027024.db2.gz PZYGNJIPOXKCLN-DEDYPNTBSA-N 0 0 430.533 3.937 40 10 IHCBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000409342789 557070340 /nfs/dbraw/zinc/07/03/40/557070340.db2.gz FLCHYPMZVXXBIN-OQLLNIDSSA-N 0 0 449.897 3.803 40 10 IHCBRN CCCN1C(=O)/C(=C/c2cc(I)c(O)c(OC)c2)SC1=S ZINC000409338422 557073388 /nfs/dbraw/zinc/07/33/88/557073388.db2.gz JPIRIBLCVRHVNU-XFFZJAGNSA-N 0 0 435.308 3.617 40 10 IHCBRN CN(C)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000097743289 557168210 /nfs/dbraw/zinc/16/82/10/557168210.db2.gz PFRSABFPMWBXNL-SGNDLWITSA-N 0 0 427.504 3.799 40 10 IHCBRN CCC(C)(C)n1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000022928776 557271903 /nfs/dbraw/zinc/27/19/03/557271903.db2.gz BDFWWSJFTGVBBY-XMMPIXPASA-N 0 0 447.631 3.791 40 10 IHCBRN CC[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220517744 557298561 /nfs/dbraw/zinc/29/85/61/557298561.db2.gz VCIZRWZVYMXHII-QHCPKHFHSA-N 0 0 443.613 3.846 40 10 IHCBRN CC[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220603040 557302294 /nfs/dbraw/zinc/30/22/94/557302294.db2.gz GIMKOFIFNPKHOM-OAQYLSRUSA-N 0 0 447.576 3.677 40 10 IHCBRN CN(C)c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000113946280 557380784 /nfs/dbraw/zinc/38/07/84/557380784.db2.gz AFBNPEZTTWBWBD-UHFFFAOYSA-N 0 0 429.567 3.569 40 10 IHCBRN O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc2oc(=O)ccc2c1 ZINC000033544833 557410166 /nfs/dbraw/zinc/41/01/66/557410166.db2.gz SUMDEIZSAVVTMH-LICLKQGHSA-N 0 0 440.477 3.772 40 10 IHCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N1CCCC[C@H]1CCO ZINC000033589254 557414807 /nfs/dbraw/zinc/41/48/07/557414807.db2.gz GCFIJMXILQJSCW-XOAFGZPJSA-N 0 0 439.002 3.695 40 10 IHCBRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000223147710 557438999 /nfs/dbraw/zinc/43/89/99/557438999.db2.gz SSONROUGEYKMIC-UHFFFAOYSA-N 0 0 427.364 3.782 40 10 IHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223579929 557488373 /nfs/dbraw/zinc/48/83/73/557488373.db2.gz MVLSYIAXLLEQAD-GOTSBHOMSA-N 0 0 435.597 3.520 40 10 IHCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 ZINC000223618508 557492789 /nfs/dbraw/zinc/49/27/89/557492789.db2.gz VXPNSDULWMJNFS-DHIUTWEWSA-N 0 0 436.581 3.853 40 10 IHCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223660498 557498741 /nfs/dbraw/zinc/49/87/41/557498741.db2.gz XDYNOFMLGYJCQN-GOTSBHOMSA-N 0 0 449.580 3.728 40 10 IHCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223695240 557503013 /nfs/dbraw/zinc/50/30/13/557503013.db2.gz BJUPHPHUSGCCLI-FCHUYYIVSA-N 0 0 449.580 3.728 40 10 IHCBRN COC(=O)C=C1NN(c2ccc(OC)cc2)C([O-])=C1C(C)=[NH+]CCc1c[nH]c2ccccc12 ZINC000019644625 557504701 /nfs/dbraw/zinc/50/47/01/557504701.db2.gz OQEUTSOWJGBVNV-JLPGSUDCSA-N 0 0 446.507 3.549 40 10 IHCBRN CN(C)c1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1 ZINC000020121804 557515428 /nfs/dbraw/zinc/51/54/28/557515428.db2.gz BKFNTAVUXJMPPG-XMMPIXPASA-N 0 0 431.588 3.766 40 10 IHCBRN CN(C)c1ccc(CN(C)C(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 ZINC000224501586 557613456 /nfs/dbraw/zinc/61/34/56/557613456.db2.gz OKCQKDPZBFHSNW-UHFFFAOYSA-N 0 0 437.565 3.850 40 10 IHCBRN C[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225291254 557709520 /nfs/dbraw/zinc/70/95/20/557709520.db2.gz VFQDVCZPAAHOHI-DNVFCKCGSA-N 0 0 443.613 3.733 40 10 IHCBRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225423117 557721612 /nfs/dbraw/zinc/72/16/12/557721612.db2.gz BQHPKTPDBDQLCD-SFHVURJKSA-N 0 0 429.586 3.664 40 10 IHCBRN O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225582178 557746730 /nfs/dbraw/zinc/74/67/30/557746730.db2.gz DQYZTINUYQZUQO-UHFFFAOYSA-N 0 0 445.966 3.844 40 10 IHCBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000059139529 557816936 /nfs/dbraw/zinc/81/69/36/557816936.db2.gz GZDIYBFBMQXFIX-UHFFFAOYSA-N 0 0 444.940 3.835 40 10 IHCBRN CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N(C)C1=O ZINC000059418194 557823178 /nfs/dbraw/zinc/82/31/78/557823178.db2.gz WTOKSUMAXFEJIO-UHFFFAOYSA-N 0 0 447.260 3.601 40 10 IHCBRN CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)C(=O)N(C)C1=O ZINC000059418196 557823212 /nfs/dbraw/zinc/82/32/12/557823212.db2.gz QIQXVDHIGIPARL-UHFFFAOYSA-N 0 0 447.260 3.601 40 10 IHCBRN COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 ZINC000103521658 568897242 /nfs/dbraw/zinc/89/72/42/568897242.db2.gz SWLLMWRMWZRRET-YUMYIRISSA-N 0 0 448.494 3.839 40 10 IHCBRN CCN1C(=O)/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)SC1=S ZINC000035128203 569260053 /nfs/dbraw/zinc/26/00/53/569260053.db2.gz AOLQCIYEJUSDMY-ATVHPVEESA-N 0 0 428.535 3.934 40 10 IHCBRN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000206913719 569261172 /nfs/dbraw/zinc/26/11/72/569261172.db2.gz BPYQDFKOASFUPQ-OQLLNIDSSA-N 0 0 449.897 3.803 40 10 IHCBRN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC ZINC000206238507 569261276 /nfs/dbraw/zinc/26/12/76/569261276.db2.gz DKTCTPLGKJMVKB-MHWRWJLKSA-N 0 0 434.926 3.903 40 10 IHCBRN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc2nccnc2c1 ZINC000054361060 193931272 /nfs/dbraw/zinc/93/12/72/193931272.db2.gz WQGMRFBMCHJMCJ-WQRHYEAKSA-N 0 0 438.509 3.999 40 10 IHCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=N)S1 ZINC000041083891 521630671 /nfs/dbraw/zinc/63/06/71/521630671.db2.gz ZTVCQRISIZIROU-HJDDMPKESA-N 0 0 448.913 3.611 40 10 IHCBRN C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccco2)SC1=S ZINC000033527025 524191157 /nfs/dbraw/zinc/19/11/57/524191157.db2.gz XFOWIFPNKZDEBO-FHNWIRHTSA-N 0 0 425.535 3.710 40 10 IHCBRN Cc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000041085200 526084866 /nfs/dbraw/zinc/08/48/66/526084866.db2.gz UGKNBQNZELQLQN-FIUAZEGQSA-N 0 0 436.516 3.906 40 10 IHCBRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000019644506 556839205 /nfs/dbraw/zinc/83/92/05/556839205.db2.gz MNSFLVZTLZRKJV-UHFFFAOYSA-N 0 0 446.484 3.606 40 10 IHCBRN Cc1[nH]c(=S)n(NC(=S)Nc2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000068602390 556848847 /nfs/dbraw/zinc/84/88/47/556848847.db2.gz DMDXKVWVNFTMHX-UCMDFWOYSA-N 0 0 441.498 3.537 40 10 IHCBRN CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(Cc1ccc(N3CCCC3)cc1C)C2 ZINC000019707319 556866608 /nfs/dbraw/zinc/86/66/08/556866608.db2.gz YTLPYNSBZMMANY-DEOSSOPVSA-N 0 0 448.615 3.669 40 10 IHCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccccc1C ZINC000408923548 556892373 /nfs/dbraw/zinc/89/23/73/556892373.db2.gz JMHVPLDGWJCEED-UHFFFAOYSA-N 0 0 430.913 3.540 40 10 IHCBRN CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(N4CCCC4)c(F)c2)C3)CC1 ZINC000072347358 556918787 /nfs/dbraw/zinc/91/87/87/556918787.db2.gz OVCIYRUNFHGGPZ-UHFFFAOYSA-N 0 0 425.552 3.716 40 10 IHCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O ZINC000409015380 556920664 /nfs/dbraw/zinc/92/06/64/556920664.db2.gz RVFGVENFMUBURO-JVVDOCDTSA-N 0 0 443.481 3.990 40 10 IHCBRN CCOc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C1=O)OCO2 ZINC000409071082 556945383 /nfs/dbraw/zinc/94/53/83/556945383.db2.gz NDRDHMISNUEBLA-IZZDOVSWSA-N 0 0 449.246 3.787 40 10 IHCBRN O=C1[C@H](Cc2cc3c(cc2Br)OCO3)SC(=S)N1Cc1cccnc1 ZINC000409149518 556974360 /nfs/dbraw/zinc/97/43/60/556974360.db2.gz ITRMYBXJOVGROE-HNNXBMFYSA-N 0 0 437.340 3.544 40 10 IHCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(N)=O ZINC000409200959 557000444 /nfs/dbraw/zinc/00/04/44/557000444.db2.gz KSQAYEQJXIBUKL-ODLFYWEKSA-N 0 0 442.562 3.972 40 10 IHCBRN Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O ZINC000409211905 557006672 /nfs/dbraw/zinc/00/66/72/557006672.db2.gz OOADPMIEQXDCEJ-KGENOOAVSA-N 0 0 436.487 3.656 40 10 IHCBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1C ZINC000409228619 557015297 /nfs/dbraw/zinc/01/52/97/557015297.db2.gz BPSDTRLYLSJEID-KGENOOAVSA-N 0 0 429.476 3.974 40 10 IHCBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccn1 ZINC000409240657 557021681 /nfs/dbraw/zinc/02/16/81/557021681.db2.gz HJPOIRDUWCAKBD-UNOMPAQXSA-N 0 0 449.898 3.674 40 10 IHCBRN O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409327596 557062006 /nfs/dbraw/zinc/06/20/06/557062006.db2.gz LDFVHVLIOXCBRP-YBFXNURJSA-N 0 0 426.519 3.658 40 10 IHCBRN CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O ZINC000409354386 557080826 /nfs/dbraw/zinc/08/08/26/557080826.db2.gz DOQBBYBGQXKAHF-GDNBJRDFSA-N 0 0 441.347 3.895 40 10 IHCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409371996 557089766 /nfs/dbraw/zinc/08/97/66/557089766.db2.gz XRXQUZXNBBSAFA-UNOMPAQXSA-N 0 0 438.553 3.846 40 10 IHCBRN C[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218262712 557185709 /nfs/dbraw/zinc/18/57/09/557185709.db2.gz NJHRQENFWSVOOE-MSOLQXFVSA-N 0 0 447.576 3.705 40 10 IHCBRN C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000010113616 557205907 /nfs/dbraw/zinc/20/59/07/557205907.db2.gz IFBFLSAHJPFDTN-QGZVFWFLSA-N 0 0 435.549 3.654 40 10 IHCBRN CC(C)CCn1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000022929817 557274254 /nfs/dbraw/zinc/27/42/54/557274254.db2.gz DSNNCGPOXOTQTC-VWLOTQADSA-N 0 0 447.631 3.692 40 10 IHCBRN Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O ZINC000101099844 557283219 /nfs/dbraw/zinc/28/32/19/557283219.db2.gz GGLJFYXFKKPCRV-YPAWHYETSA-N 0 0 437.451 3.690 40 10 IHCBRN O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830660 557307009 /nfs/dbraw/zinc/30/70/09/557307009.db2.gz AJVDRKKXFSHMKR-UUASQNMZSA-N 0 0 431.407 3.638 40 10 IHCBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102758772 557307572 /nfs/dbraw/zinc/30/75/72/557307572.db2.gz QHXZPCUSIUFKAP-HBMCJLEFSA-N 0 0 436.851 3.802 40 10 IHCBRN CCOc1cc(C=C2SC(Nc3ccc(C)c(Cl)c3)=NC2=O)ccc1OCC(N)=O ZINC000013389565 557309823 /nfs/dbraw/zinc/30/98/23/557309823.db2.gz PPZHMEFFZQOIGZ-NVMNQCDNSA-N 0 0 445.928 3.994 40 10 IHCBRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1F ZINC000222659413 557369663 /nfs/dbraw/zinc/36/96/63/557369663.db2.gz KUVFGJUCAAWKFM-UHFFFAOYSA-N 0 0 447.576 3.679 40 10 IHCBRN CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000033581948 557414565 /nfs/dbraw/zinc/41/45/65/557414565.db2.gz PBNJYCSCWIETGR-ODLFYWEKSA-N 0 0 449.557 3.631 40 10 IHCBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 ZINC000033585594 557415059 /nfs/dbraw/zinc/41/50/59/557415059.db2.gz ASGLHICMEVUOSI-RQZCQDPDSA-N 0 0 445.566 3.929 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000223230557 557448920 /nfs/dbraw/zinc/44/89/20/557448920.db2.gz QBGRRUMLEVBCQO-UHFFFAOYSA-N 0 0 445.629 3.913 40 10 IHCBRN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCc1ccc(Cl)cc1 ZINC000017096682 557477493 /nfs/dbraw/zinc/47/74/93/557477493.db2.gz CSKCEPJLPNSNSW-STZFKDTASA-N 0 0 429.879 3.851 40 10 IHCBRN CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)ccc21 ZINC000260572790 557492767 /nfs/dbraw/zinc/49/27/67/557492767.db2.gz XSVALLVIJIFSIN-SFHVURJKSA-N 0 0 441.597 3.701 40 10 IHCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223695488 557503128 /nfs/dbraw/zinc/50/31/28/557503128.db2.gz YIYYHSIZDCECNF-DHIUTWEWSA-N 0 0 449.580 3.728 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000223802005 557515080 /nfs/dbraw/zinc/51/50/80/557515080.db2.gz RMQLOSFKMUMEGI-UHFFFAOYSA-N 0 0 431.602 3.704 40 10 IHCBRN CN(c1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1)S(C)(=O)=O ZINC000225416993 557720624 /nfs/dbraw/zinc/72/06/24/557720624.db2.gz PODGOXFHVLAJFD-UHFFFAOYSA-N 0 0 432.615 3.559 40 10 IHCBRN CC(C)n1c2ccc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)cc2sc1=O ZINC000225710384 557767080 /nfs/dbraw/zinc/76/70/80/557767080.db2.gz LWIAGWLVSXAGRG-UHFFFAOYSA-N 0 0 431.583 3.723 40 10 IHCBRN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1cccc(F)c1 ZINC000033658085 557809619 /nfs/dbraw/zinc/80/96/19/557809619.db2.gz NXYCGVNKKVYJTI-WOJGMQOQSA-N 0 0 445.497 3.976 40 10 IHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000059435772 557821008 /nfs/dbraw/zinc/82/10/08/557821008.db2.gz SRKGKNJYCYKUBQ-ZHZULCJRSA-N 0 0 437.492 3.628 40 10 IHCBRN CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)ccc21 ZINC000260763863 557853933 /nfs/dbraw/zinc/85/39/33/557853933.db2.gz IKVGEXPKGZOBEC-SFHVURJKSA-N 0 0 441.597 3.701 40 10 IHCBRN CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)C(=CNc2cccc(OC)c2)SC1=S ZINC000256055384 568663265 /nfs/dbraw/zinc/66/32/65/568663265.db2.gz FBCKSQWTGQICCU-GXYBQNOFSA-N 0 0 442.562 3.983 40 10 IHCBRN CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1)c1ccccc1 ZINC000257317469 568718893 /nfs/dbraw/zinc/71/88/93/568718893.db2.gz VJVULZWASAWSPV-DVECYGJZSA-N 0 0 444.535 3.706 40 10 IHCBRN COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)N21 ZINC000103524042 568897160 /nfs/dbraw/zinc/89/71/60/568897160.db2.gz KTWZKNQVFJGNCP-YUMYIRISSA-N 0 0 436.552 3.828 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]12 ZINC000018180144 569286295 /nfs/dbraw/zinc/28/62/95/569286295.db2.gz HBEGEVRYDQYKLS-QHAWAJNXSA-N 0 0 441.414 3.521 40 10 IHCBRN CN(C)c1ccc([C@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)cc1 ZINC000019171797 569316582 /nfs/dbraw/zinc/31/65/82/569316582.db2.gz GMHYZXHTYPNJHQ-VXNXHJTFSA-N 0 0 432.568 3.500 40 10 IHCBRN COc1ccc(OC)c(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c1 ZINC000008821678 132294956 /nfs/dbraw/zinc/29/49/56/132294956.db2.gz JGRRJQPYNPWSRF-ZHZULCJRSA-N 0 0 427.501 3.635 40 10 IHCBRN CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000013504110 132347740 /nfs/dbraw/zinc/34/77/40/132347740.db2.gz BZDDTNHONUOYLI-JOCHJYFZSA-N 0 0 438.551 3.878 40 10 IHCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000041078316 520627720 /nfs/dbraw/zinc/62/77/20/520627720.db2.gz LWQQYHIJVLXZMO-HSHXGIPGSA-N 0 0 447.447 3.843 40 10 IHCBRN Cc1cc(C)c(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c(C)c1 ZINC000022395364 524277008 /nfs/dbraw/zinc/27/70/08/524277008.db2.gz RBPMVHUZHQJLQM-UHFFFAOYSA-N 0 0 443.613 3.685 40 10 IHCBRN C[C@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000022326585 524949699 /nfs/dbraw/zinc/94/96/99/524949699.db2.gz HVQIXMGISIXOAV-IBGZPJMESA-N 0 0 429.586 3.566 40 10 IHCBRN C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000022335694 525100383 /nfs/dbraw/zinc/10/03/83/525100383.db2.gz RQFGJENRCZVHPB-QZTJIDSGSA-N 0 0 447.576 3.705 40 10 IHCBRN Cc1ccccc1N(CC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1)S(C)(=O)=O ZINC000022327053 525217251 /nfs/dbraw/zinc/21/72/51/525217251.db2.gz GKXMMMDLSYELMJ-UYAOXDASSA-N 0 0 443.613 3.875 40 10 IHCBRN Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3coc4ccccc4c3=O)C2=N)S1 ZINC000041108323 525281582 /nfs/dbraw/zinc/28/15/82/525281582.db2.gz SVLCURXSJQVWTI-DDGGNYNDSA-N 0 0 444.472 3.800 40 10 IHCBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(OC)c(OC)c4)S3)CC2)cc1 ZINC000009188196 536693260 /nfs/dbraw/zinc/69/32/60/536693260.db2.gz BJCBHDFZTVWVQD-QNGOZBTKSA-N 0 0 439.537 3.505 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(F)c1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000004020284 555953099 /nfs/dbraw/zinc/95/30/99/555953099.db2.gz SODOYIODHLUREF-NJYVYQBISA-N 0 0 447.462 3.649 40 10 IHCBRN COc1cc2c(cc1OC)[C@@H](C[S@](C)=O)Cc1cc(OC)c(OC)cc1N(C)CCC2 ZINC000005389554 556049578 /nfs/dbraw/zinc/04/95/78/556049578.db2.gz GOUIEKVBVCPHCS-WTPASJBYSA-N 0 0 447.597 3.808 40 10 IHCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NCCc2ccccc2)C1=O ZINC000008819326 556218943 /nfs/dbraw/zinc/21/89/43/556218943.db2.gz MTOUCQMZCIWDKG-CYVLTUHYSA-N 0 0 426.563 3.645 40 10 IHCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCN(C)CC3)C2=O)cc1 ZINC000008819795 556219766 /nfs/dbraw/zinc/21/97/66/556219766.db2.gz GNCXZMCSQMUKEH-MNDPQUGUSA-N 0 0 431.627 3.531 40 10 IHCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000011565483 556341977 /nfs/dbraw/zinc/34/19/77/556341977.db2.gz ODFIFVLULHTFIO-GZTJUZNOSA-N 0 0 444.534 3.567 40 10 IHCBRN CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)S1 ZINC000032109970 556530391 /nfs/dbraw/zinc/53/03/91/556530391.db2.gz ZHDHEMHYAWNDRK-RQZCQDPDSA-N 0 0 431.857 3.934 40 10 IHCBRN Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000013669326 556550185 /nfs/dbraw/zinc/55/01/85/556550185.db2.gz YPBBRZBMNQNDNU-FQEVSTJZSA-N 0 0 443.613 3.765 40 10 IHCBRN COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)cc1 ZINC000000780458 556693530 /nfs/dbraw/zinc/69/35/30/556693530.db2.gz HEADCVRLLCPFSS-UHFFFAOYSA-N 0 0 441.959 3.550 40 10 IHCBRN COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3Cc3cccs3)CC2)cc1 ZINC000057671610 556748526 /nfs/dbraw/zinc/74/85/26/556748526.db2.gz GDONDXBFZCUYRH-NRFANRHFSA-N 0 0 426.590 3.701 40 10 IHCBRN Cc1nc([C@H]2CCCCN2Cc2ccc(N3CCOCC3)c(F)c2)nc2c1CCCN2C ZINC000019706093 556863820 /nfs/dbraw/zinc/86/38/20/556863820.db2.gz NZDRRIFKWBUZFH-HSZRJFAPSA-N 0 0 439.579 3.870 40 10 IHCBRN CN1C(=O)/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)NC1=S ZINC000408918652 556891483 /nfs/dbraw/zinc/89/14/83/556891483.db2.gz NGDGNYDXKJVXAF-XDHOZWIPSA-N 0 0 447.472 3.584 40 10 IHCBRN CN1C(=O)C(=Cc2cc(Br)c(Sc3ccccc3)o2)C(=O)N(C)C1=S ZINC000408963395 556901719 /nfs/dbraw/zinc/90/17/19/556901719.db2.gz ZFOJRJRPYYYSGV-UHFFFAOYSA-N 0 0 437.340 3.792 40 10 IHCBRN O=C1/C(=C/c2cc3c(cc2Br)OCO3)SC(=S)N1C[C@@H]1CCCO1 ZINC000409093325 556949559 /nfs/dbraw/zinc/94/95/59/556949559.db2.gz YWIMFEXUOOJLGN-YXBHYIBOSA-N 0 0 428.329 3.558 40 10 IHCBRN CNc1nc([C@@H]2CCCCN2Cc2ccc3c(c2)CCCN3C)nc2c1CCN(C(C)=O)C2 ZINC000072376566 556955142 /nfs/dbraw/zinc/95/51/42/556955142.db2.gz DCSYYPUIAIZPOE-DEOSSOPVSA-N 0 0 448.615 3.533 40 10 IHCBRN CN1C(=O)/C(=C/c2cn(CC(=O)NCc3cccs3)c3ccccc23)SC1=S ZINC000409123116 556962266 /nfs/dbraw/zinc/96/22/66/556962266.db2.gz FAHSVMACIQGOES-MFOYZWKCSA-N 0 0 427.576 3.850 40 10 IHCBRN COc1ccc(N2CCN([C@H](c3nnnn3C(C)C)c3ccc(Cl)cc3)CC2)cc1 ZINC000020140458 556989664 /nfs/dbraw/zinc/98/96/64/556989664.db2.gz DHFHHLLYPHYTLY-NRFANRHFSA-N 0 0 426.952 3.828 40 10 IHCBRN COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409229863 557017348 /nfs/dbraw/zinc/01/73/48/557017348.db2.gz AQWBOOPXZUVWOW-MOSHPQCFSA-N 0 0 436.468 3.687 40 10 IHCBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2F)C1=O)N1CCCCC1 ZINC000409379190 557094343 /nfs/dbraw/zinc/09/43/43/557094343.db2.gz VOJQQPLLAZINEU-UYRXBGFRSA-N 0 0 431.533 3.865 40 10 IHCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C(=O)NC1=S ZINC000409393531 557097590 /nfs/dbraw/zinc/09/75/90/557097590.db2.gz YCBUTQZHPPKEIP-CXUHLZMHSA-N 0 0 432.343 3.503 40 10 IHCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000106755012 557160773 /nfs/dbraw/zinc/16/07/73/557160773.db2.gz GBJVZJCDZASDCX-MOSHPQCFSA-N 0 0 439.537 3.849 40 10 IHCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(OC)c1 ZINC000106756659 557160780 /nfs/dbraw/zinc/16/07/80/557160780.db2.gz VPJRSOSQXKAYCV-UYRXBGFRSA-N 0 0 431.558 3.590 40 10 IHCBRN C[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218335741 557193440 /nfs/dbraw/zinc/19/34/40/557193440.db2.gz UPVIRNBQYYEBRV-SFHVURJKSA-N 0 0 429.586 3.810 40 10 IHCBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc2ccccc21 ZINC000010113567 557205795 /nfs/dbraw/zinc/20/57/95/557205795.db2.gz NGWUCGLWJRWBJZ-UHFFFAOYSA-N 0 0 437.565 3.522 40 10 IHCBRN CC[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000219082484 557223972 /nfs/dbraw/zinc/22/39/72/557223972.db2.gz LWKBCWIBWGUSSE-QFIPXVFZSA-N 0 0 429.586 3.538 40 10 IHCBRN CC[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000219098962 557225420 /nfs/dbraw/zinc/22/54/20/557225420.db2.gz XAJYHVKZPWOMHR-QHCPKHFHSA-N 0 0 443.613 3.846 40 10 IHCBRN COc1cc(NC(C)=C2C(C)=NN(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC ZINC000112289906 557238542 /nfs/dbraw/zinc/23/85/42/557238542.db2.gz KAMIODXUHWSMOQ-UNOMPAQXSA-N 0 0 426.429 3.729 40 10 IHCBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1ccc(F)cc1 ZINC000112292696 557239352 /nfs/dbraw/zinc/23/93/52/557239352.db2.gz PLUGVGKXQBWPKG-MOSHPQCFSA-N 0 0 438.484 3.765 40 10 IHCBRN O=C(NN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S)c1ccccc1 ZINC000040939800 557256867 /nfs/dbraw/zinc/25/68/67/557256867.db2.gz WHBAYWGBNLQSDE-NTEUORMPSA-N 0 0 435.324 3.701 40 10 IHCBRN CCc1ccc(N([C@@H](C)C(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1 ZINC000222848320 557393389 /nfs/dbraw/zinc/39/33/89/557393389.db2.gz AAFNQXNPLKAZCX-SFHVURJKSA-N 0 0 431.602 3.566 40 10 IHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223619405 557492745 /nfs/dbraw/zinc/49/27/45/557492745.db2.gz SEPVHWADLXFPTF-BJKOFHAPSA-N 0 0 449.624 3.910 40 10 IHCBRN CC(C)(C)c1ccc(C(=O)C[C@@H](C(=O)[O-])[NH+]2CCN(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000004117570 557531158 /nfs/dbraw/zinc/53/11/58/557531158.db2.gz XWKFONHKCVPDSY-FQEVSTJZSA-N 0 0 438.524 3.561 40 10 IHCBRN C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000225570438 557744229 /nfs/dbraw/zinc/74/42/29/557744229.db2.gz VJUABGCDAJGGLE-IBGZPJMESA-N 0 0 441.597 3.952 40 10 IHCBRN CCOc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(Br)c1OC(C)=O ZINC000058866186 557812361 /nfs/dbraw/zinc/81/23/61/557812361.db2.gz MCNXOWDYICVKTB-UHFFFAOYSA-N 0 0 439.258 3.527 40 10 IHCBRN Cc1[nH]c(=S)n(NC(=S)Nc2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000245239011 557849865 /nfs/dbraw/zinc/84/98/65/557849865.db2.gz DMDXKVWVNFTMHX-OAHLLOKOSA-N 0 0 441.498 3.537 40 10 IHCBRN Cc1nc2cc([C@H]3CCC[N@@H+]3Cc3ccccc3O)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257279003 568701579 /nfs/dbraw/zinc/70/15/79/568701579.db2.gz OENYVGVJYQODIH-JOCHJYFZSA-N 0 0 433.556 3.600 40 10 IHCBRN Cn1ccnc1-c1nccnc1[C@H]1CCCN(C(=O)c2ccnc(Cc3ccccc3)c2)C1 ZINC000257283331 568703581 /nfs/dbraw/zinc/70/35/81/568703581.db2.gz OXVLERBZYNVBSX-NRFANRHFSA-N 0 0 438.535 3.883 40 10 IHCBRN CCCCCN1c2ccccc2/C(=C2/SC(=S)N(CC(=O)OCCC)C2=O)C1=O ZINC000027563043 568863973 /nfs/dbraw/zinc/86/39/73/568863973.db2.gz UIIOLBCQQCUROQ-ZCXUNETKSA-N 0 0 432.567 3.748 40 10 IHCBRN CCN1C(=O)/C(=C/c2cc(I)c(OC)c(OC)c2)SC1=S ZINC000060510621 569249910 /nfs/dbraw/zinc/24/99/10/569249910.db2.gz ZDKUYRJMNTZLQU-XFFZJAGNSA-N 0 0 435.308 3.530 40 10 IHCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)o1 ZINC000107642140 569250722 /nfs/dbraw/zinc/25/07/22/569250722.db2.gz ORQKDPDWLQIRJK-ODLFYWEKSA-N 0 0 437.427 3.706 40 10 IHCBRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)cc1 ZINC000036109047 569260204 /nfs/dbraw/zinc/26/02/04/569260204.db2.gz YDJUCTVNVFMXJP-PMACEKPBSA-N 0 0 443.613 3.875 40 10 IHCBRN CCOc1ccc([C@H](c2nnnn2C(C)C)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000013504330 132348025 /nfs/dbraw/zinc/34/80/25/132348025.db2.gz NCIRWOJULFWKCQ-HSZRJFAPSA-N 0 0 436.560 3.573 40 10 IHCBRN CC(=O)N(C=CC=Cc1[o+]c2ccccc2n1CCCS(=O)(=O)[O-])c1ccccc1 ZINC000016139001 519438003 /nfs/dbraw/zinc/43/80/03/519438003.db2.gz LDBUAAMQOTVEFO-UHFFFAOYSA-O 0 0 427.502 3.578 40 10 IHCBRN COc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Br ZINC000033803393 523407994 /nfs/dbraw/zinc/40/79/94/523407994.db2.gz PKCFBJYHFOUHNG-AYYHGXMZSA-N 0 0 442.298 3.520 40 10 IHCBRN Cc1ccccc1N(CC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O ZINC000022327023 525217749 /nfs/dbraw/zinc/21/77/49/525217749.db2.gz DYBIRVCPASZHRB-HXUWFJFHSA-N 0 0 443.613 3.875 40 10 IHCBRN CCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c(=O)c2cc(Cl)ccc21 ZINC000408713403 556130098 /nfs/dbraw/zinc/13/00/98/556130098.db2.gz XBEUSRVXRURJNQ-UHFFFAOYSA-N 0 0 425.916 3.646 40 10 IHCBRN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)NC2=NCCS2)C1=O ZINC000008820584 556220784 /nfs/dbraw/zinc/22/07/84/556220784.db2.gz JCXDWHWUZQQEEZ-QLKCLSONSA-N 0 0 431.608 3.833 40 10 IHCBRN COc1cc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)ccc1OCc1ccc(C)cc1 ZINC000013547696 556514129 /nfs/dbraw/zinc/51/41/29/556514129.db2.gz GLNAZRBTPNZOFN-JCMHNJIXSA-N 0 0 437.565 3.800 40 10 IHCBRN Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccccc3)C(=O)c3ccccc3C2=O)c1 ZINC000100417666 556585611 /nfs/dbraw/zinc/58/56/11/556585611.db2.gz XELSQRYVFXHJRX-BHIFYINESA-N 0 0 437.451 3.690 40 10 IHCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\NC(=O)Nc1ccccc1I ZINC000016160662 556586097 /nfs/dbraw/zinc/58/60/97/556586097.db2.gz QIZWTAJLEVKBTF-KAMYIIQDSA-N 0 0 446.248 3.719 40 10 IHCBRN COc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N(c3ccccc3)O[C@@H]2C1=O ZINC000100982715 556633991 /nfs/dbraw/zinc/63/39/91/556633991.db2.gz UUBLHKKQSQBZJU-SGNDLWITSA-N 0 0 443.503 3.812 40 10 IHCBRN CN1C(=O)/C(=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)SC1=S ZINC000083312763 556663529 /nfs/dbraw/zinc/66/35/29/556663529.db2.gz JHMGKCINYLSMBC-UUASQNMZSA-N 0 0 445.434 3.553 40 10 IHCBRN COc1ccccc1-n1c(C)cc(CN(CCN2CCOCC2)Cc2cccnc2)c1C ZINC000019567588 556807919 /nfs/dbraw/zinc/80/79/19/556807919.db2.gz FMVZRYGNPCBPQS-UHFFFAOYSA-N 0 0 434.584 3.832 40 10 IHCBRN CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(Cc1ccc(N3CCCC3)cc1C)C2 ZINC000019707320 556866805 /nfs/dbraw/zinc/86/68/05/556866805.db2.gz YTLPYNSBZMMANY-XMMPIXPASA-N 0 0 448.615 3.669 40 10 IHCBRN CN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(=O)NC1=S ZINC000408913584 556889282 /nfs/dbraw/zinc/88/92/82/556889282.db2.gz MFVHORFPDDFFJE-AWNIVKPZSA-N 0 0 439.295 3.968 40 10 IHCBRN Cc1cccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000072340675 556912553 /nfs/dbraw/zinc/91/25/53/556912553.db2.gz BEGWUEFEJXJLMO-AREMUKBSSA-N 0 0 434.559 3.999 40 10 IHCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 ZINC000409004526 556915140 /nfs/dbraw/zinc/91/51/40/556915140.db2.gz XLCJOGJGZSHBFG-HMAPJEAMSA-N 0 0 448.519 3.776 40 10 IHCBRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1 ZINC000019818227 556920759 /nfs/dbraw/zinc/92/07/59/556920759.db2.gz HEDGLHKHMYAIGR-NHCUHLMSSA-N 0 0 437.496 3.609 40 10 IHCBRN COC(=O)COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 ZINC000409038048 556927679 /nfs/dbraw/zinc/92/76/79/556927679.db2.gz ZKIJLSCIQDLNPP-KPKJPENVSA-N 0 0 440.324 3.740 40 10 IHCBRN CCN1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)S2)CC1 ZINC000019842503 556929762 /nfs/dbraw/zinc/92/97/62/556929762.db2.gz BTLAEFIZUMRATP-JWGURIENSA-N 0 0 437.565 3.882 40 10 IHCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1Br ZINC000409069969 556944647 /nfs/dbraw/zinc/94/46/47/556944647.db2.gz YWXKCFNCKIUNCE-KBVGCWLLSA-N 0 0 441.347 3.893 40 10 IHCBRN Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409123196 556962177 /nfs/dbraw/zinc/96/21/77/556962177.db2.gz ABLAUQLFEJQFID-NDENLUEZSA-N 0 0 439.541 3.632 40 10 IHCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)SC1=S ZINC000409123299 556962261 /nfs/dbraw/zinc/96/22/61/556962261.db2.gz FWPBCCKJLANTOE-ZDLGFXPLSA-N 0 0 425.535 3.772 40 10 IHCBRN CCOC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 ZINC000409129991 556967244 /nfs/dbraw/zinc/96/72/44/556967244.db2.gz SWZWAJFCVIBKHB-YQYFLZKSSA-N 0 0 430.551 3.585 40 10 IHCBRN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)NC1=S ZINC000409130184 556967469 /nfs/dbraw/zinc/96/74/69/556967469.db2.gz KPBJQWHPZOSWFX-PDGQHHTCSA-N 0 0 439.541 3.680 40 10 IHCBRN COCCN1C(=O)[C@@H](Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)SC1=S ZINC000409145081 556976525 /nfs/dbraw/zinc/97/65/25/556976525.db2.gz MFYYLTOETJLGDF-LJQANCHMSA-N 0 0 435.542 3.831 40 10 IHCBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)N1CCc2ccccc2C1 ZINC000409203862 557002574 /nfs/dbraw/zinc/00/25/74/557002574.db2.gz ZGLMFKIYIGHQIU-JCMHNJIXSA-N 0 0 447.560 3.908 40 10 IHCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(N)=O ZINC000409215076 557009679 /nfs/dbraw/zinc/00/96/79/557009679.db2.gz ZSHWYMPCTRVASS-WQRHYEAKSA-N 0 0 428.535 3.664 40 10 IHCBRN COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000409228592 557015311 /nfs/dbraw/zinc/01/53/11/557015311.db2.gz ZRSDUOYOVHFJMW-NDENLUEZSA-N 0 0 428.485 3.907 40 10 IHCBRN Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000409254191 557034088 /nfs/dbraw/zinc/03/40/88/557034088.db2.gz VUSKMKJTSOCGAD-SFQUDFHCSA-N 0 0 436.924 3.974 40 10 IHCBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O ZINC000205713058 557059296 /nfs/dbraw/zinc/05/92/96/557059296.db2.gz MXQBESGNRLRUIB-RIYZIHGNSA-N 0 0 427.320 3.503 40 10 IHCBRN COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1=Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000409377892 557093335 /nfs/dbraw/zinc/09/33/35/557093335.db2.gz MAISFFHLIGNQKR-ZDLGFXPLSA-N 0 0 436.420 3.683 40 10 IHCBRN C[C@@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000218287734 557188134 /nfs/dbraw/zinc/18/81/34/557188134.db2.gz ZSNQXHCNDNDSPY-UXHICEINSA-N 0 0 443.613 3.955 40 10 IHCBRN C[C@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000218287807 557188272 /nfs/dbraw/zinc/18/82/72/557188272.db2.gz ZSNQXHCNDNDSPY-PMACEKPBSA-N 0 0 443.613 3.955 40 10 IHCBRN CC(C)[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccco2)SC1=S ZINC000033526837 557403960 /nfs/dbraw/zinc/40/39/60/557403960.db2.gz LIERRRUEPGWASO-XUDLPTGHSA-N 0 0 430.551 3.570 40 10 IHCBRN O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 ZINC000033537162 557408537 /nfs/dbraw/zinc/40/85/37/557408537.db2.gz FLSOPGAYSMPJBM-VXLYETTFSA-N 0 0 439.537 3.867 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@@H]1C(=O)N(C3CCCC3)C(=O)[C@@H]12 ZINC000169680760 557460721 /nfs/dbraw/zinc/46/07/21/557460721.db2.gz YBJZLDUSZIIPTM-VAMGGRTRSA-N 0 0 449.890 3.773 40 10 IHCBRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000223618487 557492695 /nfs/dbraw/zinc/49/26/95/557492695.db2.gz JVPMSIDGTHDLST-ULJHMMPZSA-N 0 0 445.519 3.976 40 10 IHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223619316 557492750 /nfs/dbraw/zinc/49/27/50/557492750.db2.gz SEPVHWADLXFPTF-DNQXCXABSA-N 0 0 449.624 3.910 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000224419318 557604118 /nfs/dbraw/zinc/60/41/18/557604118.db2.gz AZQYUMMKXUOHRH-MRXNPFEDSA-N 0 0 437.993 3.657 40 10 IHCBRN CN(C)c1ccc(CNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000224517698 557615349 /nfs/dbraw/zinc/61/53/49/557615349.db2.gz BEXKGSYOWNRUSB-UHFFFAOYSA-N 0 0 437.565 3.503 40 10 IHCBRN CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000225421539 557721439 /nfs/dbraw/zinc/72/14/39/557721439.db2.gz HTCASMUIZTWJCY-UHFFFAOYSA-N 0 0 433.961 3.840 40 10 IHCBRN C[C@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCCC2)cc1 ZINC000225695265 557765285 /nfs/dbraw/zinc/76/52/85/557765285.db2.gz HQWOBLRYGWBPFG-INIZCTEOSA-N 0 0 432.615 3.730 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(I)c1O ZINC000096576994 557838152 /nfs/dbraw/zinc/83/81/52/557838152.db2.gz BJXUEWCSJJEXNJ-SDQBBNPISA-N 0 0 449.335 3.863 40 10 IHCBRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260910035 568628984 /nfs/dbraw/zinc/62/89/84/568628984.db2.gz WJDXPMODJWKTKX-ZWKOTPCHSA-N 0 0 429.586 3.664 40 10 IHCBRN COc1ccc(-c2cccc([C@H]3CN(Cc4ccc(N(C)CCO)cc4)CCO3)n2)cc1 ZINC000257241252 568684233 /nfs/dbraw/zinc/68/42/33/568684233.db2.gz HXIGWXFNDBTHOC-AREMUKBSSA-N 0 0 433.552 3.759 40 10 IHCBRN Cc1ccccc1Cc1cccc([C@H]2CN(Cc3ccc(N(C)CCO)cc3)CCO2)n1 ZINC000257294489 568708613 /nfs/dbraw/zinc/70/86/13/568708613.db2.gz QUKGGBQJEVKTKX-HHHXNRCGSA-N 0 0 431.580 3.983 40 10 IHCBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C ZINC000141475234 569254962 /nfs/dbraw/zinc/25/49/62/569254962.db2.gz LAOWSDCQXUDDRS-NHDPSOOVSA-N 0 0 446.488 3.781 40 10 IHCBRN C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)C(C)=C2C(=O)OC)cc1 ZINC000033683023 569259619 /nfs/dbraw/zinc/25/96/19/569259619.db2.gz SQOPASWVZZEEAA-QNGOZBTKSA-N 0 0 433.460 3.915 40 10 IHCBRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)c(F)c2)C1=O)N1CCCCC1 ZINC000033751196 569259703 /nfs/dbraw/zinc/25/97/03/569259703.db2.gz KKTUVPFAVDWZLQ-RGEXLXHISA-N 0 0 431.533 3.865 40 10 IHCBRN COc1ccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(OC)c1OC ZINC000041076372 569526413 /nfs/dbraw/zinc/52/64/13/569526413.db2.gz NVZMIYUQNJNCCT-CKFBTKOKSA-N 0 0 428.514 3.912 40 10 IHCBRN CCOc1cc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)ccc1O ZINC000009187961 132307751 /nfs/dbraw/zinc/30/77/51/132307751.db2.gz CQXUSWATXYRLMA-ZHZULCJRSA-N 0 0 427.501 3.723 40 10 IHCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000041078441 520627431 /nfs/dbraw/zinc/62/74/31/520627431.db2.gz WSOIVFOJFKAFOE-LECIVKJOSA-N 0 0 435.411 3.894 40 10 IHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000041078518 521960765 /nfs/dbraw/zinc/96/07/65/521960765.db2.gz KRISDCRXVQJZJM-GKJKXNJGSA-N 0 0 433.464 3.912 40 10 IHCBRN Cc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O ZINC000022327027 525217697 /nfs/dbraw/zinc/21/76/97/525217697.db2.gz DYBIRVCPASZHRB-FQEVSTJZSA-N 0 0 443.613 3.875 40 10 IHCBRN Cc1nnsc1C(=O)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCCO3)CC1 ZINC000012144207 526439371 /nfs/dbraw/zinc/43/93/71/526439371.db2.gz MTOOIQGHRWHGGY-UHFFFAOYSA-N 0 0 440.525 3.522 40 10 IHCBRN COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(OC)cc4OC)S3)CC2)cc1 ZINC000009188191 536692976 /nfs/dbraw/zinc/69/29/76/536692976.db2.gz UCKOEDYNDDTKAA-STZFKDTASA-N 0 0 439.537 3.505 40 10 IHCBRN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408528199 555725147 /nfs/dbraw/zinc/72/51/47/555725147.db2.gz DBFKZPLEUBQRCH-DHDCSXOGSA-N 0 0 434.926 3.855 40 10 IHCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1CCCC1 ZINC000008820008 556219789 /nfs/dbraw/zinc/21/97/89/556219789.db2.gz QBAQSSRXSDUOGM-AQTBWJFISA-N 0 0 432.567 3.799 40 10 IHCBRN CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000015134501 556505849 /nfs/dbraw/zinc/50/58/49/556505849.db2.gz OEEVDVOLQIREGD-UHFFFAOYSA-N 0 0 427.501 3.623 40 10 IHCBRN CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408911578 556888154 /nfs/dbraw/zinc/88/81/54/556888154.db2.gz OANJSQWQUABFEF-CXUHLZMHSA-N 0 0 444.940 3.883 40 10 IHCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 ZINC000408995362 556912117 /nfs/dbraw/zinc/91/21/17/556912117.db2.gz BTPGKZSWDMROSA-JCMHNJIXSA-N 0 0 448.519 3.857 40 10 IHCBRN COC(=O)CSC1=N[C@@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408994056 556912979 /nfs/dbraw/zinc/91/29/79/556912979.db2.gz YEQIOAVTQBBZHI-NRFANRHFSA-N 0 0 438.553 3.572 40 10 IHCBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O ZINC000409010926 556918159 /nfs/dbraw/zinc/91/81/59/556918159.db2.gz GHHXEMMORHYKGM-YFEUJDIGSA-N 0 0 443.481 3.990 40 10 IHCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O ZINC000409015378 556920678 /nfs/dbraw/zinc/92/06/78/556920678.db2.gz RVFGVENFMUBURO-DZBQEORWSA-N 0 0 443.481 3.990 40 10 IHCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000409101643 556955831 /nfs/dbraw/zinc/95/58/31/556955831.db2.gz QAFKAOVUMFMREG-WQRHYEAKSA-N 0 0 425.460 3.536 40 10 IHCBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O ZINC000409103148 556956653 /nfs/dbraw/zinc/95/66/53/556956653.db2.gz BBHAWOXWKYDMDG-ZHZULCJRSA-N 0 0 437.521 3.507 40 10 IHCBRN COc1ccc(CN2C(=O)/C(=C/c3cn(CC(N)=O)c4ccccc34)SC2=S)cc1 ZINC000409145560 556976767 /nfs/dbraw/zinc/97/67/67/556976767.db2.gz RDTCYXUVJKNRRJ-GRSHGNNSSA-N 0 0 437.546 3.537 40 10 IHCBRN O=C1S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000409146863 556977342 /nfs/dbraw/zinc/97/73/42/556977342.db2.gz UEQUJDORSNYRBL-UNOMPAQXSA-N 0 0 443.456 3.807 40 10 IHCBRN COc1cccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000102728802 557131887 /nfs/dbraw/zinc/13/18/87/557131887.db2.gz LXPXVPZNTKCSBO-FUPPJEDESA-N 0 0 430.460 3.760 40 10 IHCBRN Cc1cccc(CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c1 ZINC000106705138 557158249 /nfs/dbraw/zinc/15/82/49/557158249.db2.gz VBLZUWAJPQNKHV-MOSHPQCFSA-N 0 0 439.493 3.976 40 10 IHCBRN Cc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1)S(C)(=O)=O ZINC000218228437 557183343 /nfs/dbraw/zinc/18/33/43/557183343.db2.gz GKXMMMDLSYELMJ-QUCCMNQESA-N 0 0 443.613 3.875 40 10 IHCBRN CCOCCCNC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)cc1 ZINC000112292812 557239335 /nfs/dbraw/zinc/23/93/35/557239335.db2.gz ILVCPGYULLVBFF-PGMHBOJBSA-N 0 0 438.484 3.645 40 10 IHCBRN Cc1ccc(N(CCCC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000219626756 557260324 /nfs/dbraw/zinc/26/03/24/557260324.db2.gz UDPRYJWPBLJXBU-UHFFFAOYSA-N 0 0 443.613 3.848 40 10 IHCBRN CC(C)CCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000022929819 557274274 /nfs/dbraw/zinc/27/42/74/557274274.db2.gz DSNNCGPOXOTQTC-RUZDIDTESA-N 0 0 447.631 3.692 40 10 IHCBRN COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3[C@H](C(C)=O)N21 ZINC000013569531 557347807 /nfs/dbraw/zinc/34/78/07/557347807.db2.gz LYWNPVXGAPZUCK-CZYKHXBRSA-N 0 0 436.895 3.636 40 10 IHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000222725410 557379580 /nfs/dbraw/zinc/37/95/80/557379580.db2.gz BERKBRNSQJOYHU-DNQXCXABSA-N 0 0 447.608 3.928 40 10 IHCBRN CC(C)[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccco2)SC1=S ZINC000033526835 557403938 /nfs/dbraw/zinc/40/39/38/557403938.db2.gz LIERRRUEPGWASO-FSEPTYSPSA-N 0 0 430.551 3.570 40 10 IHCBRN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2N1C(=O)c1ccccc1 ZINC000223267893 557453439 /nfs/dbraw/zinc/45/34/39/557453439.db2.gz DPGLFRYKPQYHAG-OAHLLOKOSA-N 0 0 436.489 3.808 40 10 IHCBRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000225513751 557733045 /nfs/dbraw/zinc/73/30/45/557733045.db2.gz JDEHTYUKYZBTJT-ULJHMMPZSA-N 0 0 445.519 3.512 40 10 IHCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccccc1Cl ZINC000059139604 557816998 /nfs/dbraw/zinc/81/69/98/557816998.db2.gz BMYAYCNPNMEEAX-UHFFFAOYSA-N 0 0 444.940 3.916 40 10 IHCBRN O=C1N[C@@H](c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)Oc2ccccc21 ZINC000059488801 557825897 /nfs/dbraw/zinc/82/58/97/557825897.db2.gz ZSTFBKBYODZRES-XMMPIXPASA-N 0 0 430.464 3.742 40 10 IHCBRN CCc1ccc(N([C@H](C)C(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1 ZINC000260805238 557857819 /nfs/dbraw/zinc/85/78/19/557857819.db2.gz AAFNQXNPLKAZCX-GOSISDBHSA-N 0 0 431.602 3.566 40 10 IHCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260801742 557857844 /nfs/dbraw/zinc/85/78/44/557857844.db2.gz LPRDYLAZVAGRFC-JKSUJKDBSA-N 0 0 445.610 3.876 40 10 IHCBRN C=CCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)c1 ZINC000108944903 569260911 /nfs/dbraw/zinc/26/09/11/569260911.db2.gz XHTRGBRGFPXNBU-QGOAFFKASA-N 0 0 426.519 3.806 40 10 IHCBRN O=C(Cn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000108898188 569260975 /nfs/dbraw/zinc/26/09/75/569260975.db2.gz DFAFLAXOWGOXCR-JCMHNJIXSA-N 0 0 436.471 3.741 40 10 IHCBRN COC(=O)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000206238598 569261248 /nfs/dbraw/zinc/26/12/48/569261248.db2.gz LSYCWNMYTVKGTG-XNTDXEJSSA-N 0 0 432.910 3.673 40 10 IHCBRN COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 ZINC000018068722 569284773 /nfs/dbraw/zinc/28/47/73/569284773.db2.gz KTWZKNQVFJGNCP-YSFYHYPLSA-N 0 0 436.552 3.828 40 10 IHCBRN COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000013503884 132347434 /nfs/dbraw/zinc/34/74/34/132347434.db2.gz MBAXDTNIHKWSRJ-XMMPIXPASA-N 0 0 448.571 3.717 40 10 IHCBRN CCN(CC)c1ccc([C@H]2N(C(C)=O)[C@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020608664 520924464 /nfs/dbraw/zinc/92/44/64/520924464.db2.gz QVMGUASGLKUQHE-WZONZLPQSA-N 0 0 429.586 3.781 40 10 IHCBRN CN(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2)cc1 ZINC000035290860 522241076 /nfs/dbraw/zinc/24/10/76/522241076.db2.gz KUXHARBPCXIEJQ-FQEVSTJZSA-N 0 0 437.569 3.907 40 10 IHCBRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)cc1 ZINC000022327989 524894136 /nfs/dbraw/zinc/89/41/36/524894136.db2.gz YDJUCTVNVFMXJP-WOJBJXKFSA-N 0 0 443.613 3.875 40 10 IHCBRN CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)S1 ZINC000408533466 555747039 /nfs/dbraw/zinc/74/70/39/555747039.db2.gz YUKYCDKBWBILFE-NVMNQCDNSA-N 0 0 443.912 3.772 40 10 IHCBRN CCN1C(=O)C(=Cc2ccc(OCC(C)C)c(Br)c2)C(=O)N(CC)C1=S ZINC000408600759 555969095 /nfs/dbraw/zinc/96/90/95/555969095.db2.gz FXWLRTDBBASGIH-UHFFFAOYSA-N 0 0 439.375 3.863 40 10 IHCBRN COc1cccc(-n2c(C)cc(CN3CCc4c(=O)[nH]c(-c5ccccn5)nc4C3)c2C)c1 ZINC000012088784 556401784 /nfs/dbraw/zinc/40/17/84/556401784.db2.gz SKHMZVCMSJGZAA-UHFFFAOYSA-N 0 0 441.535 3.806 40 10 IHCBRN COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000030419053 556493946 /nfs/dbraw/zinc/49/39/46/556493946.db2.gz LZCUCOOFQGDHBM-UHFFFAOYSA-N 0 0 425.348 3.536 40 10 IHCBRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)cc1 ZINC000015134881 556505777 /nfs/dbraw/zinc/50/57/77/556505777.db2.gz YITIRMJVWKEYAF-UHFFFAOYSA-N 0 0 437.565 3.816 40 10 IHCBRN COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000100867888 556598108 /nfs/dbraw/zinc/59/81/08/556598108.db2.gz NQUPGJZOCGMEGD-VXNXHJTFSA-N 0 0 443.503 3.812 40 10 IHCBRN CCN1C(=O)/C(=C\c2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)SC1=S ZINC000013914446 556662101 /nfs/dbraw/zinc/66/21/01/556662101.db2.gz INVQURHYTDSBSO-XDHOZWIPSA-N 0 0 442.562 3.612 40 10 IHCBRN COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)cc1 ZINC000001203036 556768032 /nfs/dbraw/zinc/76/80/32/556768032.db2.gz DYRYENLKFMFNMQ-AQTBWJFISA-N 0 0 428.535 3.934 40 10 IHCBRN O=C(COc1ccc(Cl)cc1Br)NCc1ccc(N2CCOCC2)cc1 ZINC000059990761 556805784 /nfs/dbraw/zinc/80/57/84/556805784.db2.gz PUFNHTBAIVBGKX-UHFFFAOYSA-N 0 0 439.737 3.634 40 10 IHCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000408797828 556857539 /nfs/dbraw/zinc/85/75/39/556857539.db2.gz STIDMKPHYOHQTP-YVLHZVERSA-N 0 0 427.428 3.729 40 10 IHCBRN O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 ZINC000408902667 556885166 /nfs/dbraw/zinc/88/51/66/556885166.db2.gz PNAJKVSYDJCCIP-QGOAFFKASA-N 0 0 427.507 3.837 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1O ZINC000409077664 556944181 /nfs/dbraw/zinc/94/41/81/556944181.db2.gz FFEYEFCUMRUVNA-PJJXNUOTSA-N 0 0 430.345 3.544 40 10 IHCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1O ZINC000409091735 556951892 /nfs/dbraw/zinc/95/18/92/556951892.db2.gz RRGCQVONBLJRKB-KSSSLANASA-N 0 0 444.372 3.934 40 10 IHCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409202182 557001276 /nfs/dbraw/zinc/00/12/76/557001276.db2.gz PPRHGXAVWYFQGG-BKUYFWCQSA-N 0 0 432.455 3.721 40 10 IHCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C(=O)NC1=S ZINC000409393222 557097549 /nfs/dbraw/zinc/09/75/49/557097549.db2.gz VWXAYKVOUBQIKN-GXDHUFHOSA-N 0 0 432.343 3.503 40 10 IHCBRN O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000106688549 557157232 /nfs/dbraw/zinc/15/72/32/557157232.db2.gz CTYUXQYHWAQGGF-UYRXBGFRSA-N 0 0 425.466 3.668 40 10 IHCBRN CC(C)c1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000010113143 557205513 /nfs/dbraw/zinc/20/55/13/557205513.db2.gz AAGFNNHEWRTDTR-UHFFFAOYSA-N 0 0 443.613 3.883 40 10 IHCBRN COc1cc(N2CCOCC2)c(OC)cc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222596359 557358462 /nfs/dbraw/zinc/35/84/62/557358462.db2.gz LOGGNXOYPXWLDM-RXYZOABWSA-N 0 0 440.569 3.525 40 10 IHCBRN O=C(CCCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)NCCCn1ccnc1 ZINC000033544853 557410204 /nfs/dbraw/zinc/41/02/04/557410204.db2.gz QDKNYTZXLYEVMG-LGMDPLHJSA-N 0 0 449.001 3.724 40 10 IHCBRN COc1cc(Br)c(Br)c(/C=C2\SC(=S)N(C)C2=O)c1O ZINC000016188894 557470598 /nfs/dbraw/zinc/47/05/98/557470598.db2.gz DHKDKGWEEHSXOJ-BAQGIRSFSA-N 0 0 439.150 3.757 40 10 IHCBRN CSc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1NC(C)=O ZINC000225488624 557728827 /nfs/dbraw/zinc/72/88/27/557728827.db2.gz VUISJDSTKWPIBF-UHFFFAOYSA-N 0 0 433.599 3.836 40 10 IHCBRN Cc1cc(C)cc(N(CCCC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000225850093 557785324 /nfs/dbraw/zinc/78/53/24/557785324.db2.gz WDTZGKGPTXCMDT-UHFFFAOYSA-N 0 0 443.613 3.766 40 10 IHCBRN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OC ZINC000033688275 557808917 /nfs/dbraw/zinc/80/89/17/557808917.db2.gz RHQANCDMDCJOPX-LDADJPATSA-N 0 0 444.534 3.649 40 10 IHCBRN Cc1ccc(CN(CC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000260816635 557857486 /nfs/dbraw/zinc/85/74/86/557857486.db2.gz XXOPTVBYNQDCLI-HXUWFJFHSA-N 0 0 443.613 3.624 40 10 IHCBRN COc1ccc(N(C)CCC(=O)N2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)cc1 ZINC000257246874 568686991 /nfs/dbraw/zinc/68/69/91/568686991.db2.gz IWFIEEQWZZVSLV-HSZRJFAPSA-N 0 0 447.539 3.655 40 10 IHCBRN CCN(CC)c1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc1 ZINC000261362488 568733084 /nfs/dbraw/zinc/73/30/84/568733084.db2.gz DKDNXHFRMSFGSL-QFIPXVFZSA-O 0 0 436.561 3.618 40 10 IHCBRN COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 ZINC000103524040 568897286 /nfs/dbraw/zinc/89/72/86/568897286.db2.gz KTWZKNQVFJGNCP-CZYKHXBRSA-N 0 0 436.552 3.828 40 10 IHCBRN CCN1CCCc2cc(CN3CCc4c(nc([C@H]5CCCN5C(C)=O)nc4NC)C3)ccc21 ZINC000247910364 569206542 /nfs/dbraw/zinc/20/65/42/569206542.db2.gz DHXLOFURPSXLTA-XMMPIXPASA-N 0 0 448.615 3.533 40 10 IHCBRN COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)SC2=S)cc1 ZINC000033581831 569259335 /nfs/dbraw/zinc/25/93/35/569259335.db2.gz SDAGWQWTTPUAGT-XMHGGMMESA-N 0 0 439.562 3.842 40 10 IHCBRN C#CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1I ZINC000033633141 569259403 /nfs/dbraw/zinc/25/94/03/569259403.db2.gz JARZICKTYNHKQP-LCYFTJDESA-N 0 0 429.304 3.524 40 10 IHCBRN COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000035166815 569260184 /nfs/dbraw/zinc/26/01/84/569260184.db2.gz XUMKEUQXSNFRPX-PDGQHHTCSA-N 0 0 428.535 3.710 40 10 IHCBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)cc1 ZINC000109024214 569260933 /nfs/dbraw/zinc/26/09/33/569260933.db2.gz QNXZVYQFWCCYPX-MOSHPQCFSA-N 0 0 436.487 3.574 40 10 IHCBRN N=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(c3ccco3)=NN21 ZINC000041076750 569526489 /nfs/dbraw/zinc/52/64/89/569526489.db2.gz GFWDMHPQIMONBC-WSYITQDSSA-N 0 0 432.421 3.646 40 10 IHCBRN COC(=O)COc1c(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cccc1OC ZINC000408528573 555719676 /nfs/dbraw/zinc/71/96/76/555719676.db2.gz GOUKDVDUEZVYTD-YBEGLDIGSA-N 0 0 433.482 3.792 40 10 IHCBRN COC(=O)COc1c(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cccc1OC ZINC000408536240 555759841 /nfs/dbraw/zinc/75/98/41/555759841.db2.gz YVSYVRSDYZEPNA-GZTJUZNOSA-N 0 0 445.518 3.661 40 10 IHCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCC3)C2=O)cc1 ZINC000008820089 556219784 /nfs/dbraw/zinc/21/97/84/556219784.db2.gz UCRBMCJOVZZRMJ-SDXDJHTJSA-N 0 0 446.594 3.857 40 10 IHCBRN COc1ccc(NC2=NC(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)S2)c(OC)c1 ZINC000008821897 556223897 /nfs/dbraw/zinc/22/38/97/556223897.db2.gz QLCGSQKJJDWJEB-ZDLGFXPLSA-N 0 0 430.482 3.812 40 10 IHCBRN COc1ccc(/C=C2\SC(=S)N(CCC(=O)Oc3ccccc3)C2=O)cc1OC ZINC000008871694 556229702 /nfs/dbraw/zinc/22/97/02/556229702.db2.gz TZEXVTDRIKRQAZ-AQTBWJFISA-N 0 0 429.519 3.901 40 10 IHCBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S1 ZINC000408755810 556238785 /nfs/dbraw/zinc/23/87/85/556238785.db2.gz WIMATOPPSHSFKV-AUWJEWJLSA-N 0 0 436.243 3.724 40 10 IHCBRN CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)s1 ZINC000000924827 556752314 /nfs/dbraw/zinc/75/23/14/556752314.db2.gz KYSYHCBHLNCSEZ-HNNXBMFYSA-N 0 0 429.571 3.874 40 10 IHCBRN COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1OC ZINC000408934593 556895486 /nfs/dbraw/zinc/89/54/86/556895486.db2.gz BKMNNGAIVHWSJW-OQLLNIDSSA-N 0 0 429.270 3.908 40 10 IHCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000409023770 556923546 /nfs/dbraw/zinc/92/35/46/556923546.db2.gz PCPPYTSIAWVHQW-NVNXTCNLSA-N 0 0 427.840 3.955 40 10 IHCBRN COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(OC)c1O ZINC000409037302 556928985 /nfs/dbraw/zinc/92/89/85/556928985.db2.gz MUNYQLMZVNVMJI-RUDMXATFSA-N 0 0 428.313 3.911 40 10 IHCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(N2CCN(C)CC2)o1 ZINC000409042947 556929784 /nfs/dbraw/zinc/92/97/84/556929784.db2.gz LTVYSEOLRBTBLG-FMIVXFBMSA-N 0 0 440.372 3.533 40 10 IHCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1O ZINC000409091738 556951855 /nfs/dbraw/zinc/95/18/55/556951855.db2.gz RRGCQVONBLJRKB-ZEVOCZHWSA-N 0 0 444.372 3.934 40 10 IHCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1O ZINC000409126154 556965361 /nfs/dbraw/zinc/96/53/61/556965361.db2.gz DTEYXWNKXVJXQN-SXGWCWSVSA-N 0 0 447.310 3.954 40 10 IHCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)c(Cl)c1 ZINC000409150048 556974861 /nfs/dbraw/zinc/97/48/61/556974861.db2.gz ZBAJDMFDFXCLEW-PFONDFGASA-N 0 0 429.910 3.517 40 10 IHCBRN CCN(CC)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1 ZINC000006144497 557013258 /nfs/dbraw/zinc/01/32/58/557013258.db2.gz WHMDNAXBUHFIIE-UEXGIBASSA-N 0 0 435.446 3.637 40 10 IHCBRN Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000409246167 557027966 /nfs/dbraw/zinc/02/79/66/557027966.db2.gz FXNMXTZAYVGITC-UDWIEESQSA-N 0 0 434.883 3.944 40 10 IHCBRN CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)OC)SC1=S ZINC000409332568 557065829 /nfs/dbraw/zinc/06/58/29/557065829.db2.gz QINUUMHNSJDNLB-JYRVWZFOSA-N 0 0 430.345 3.612 40 10 IHCBRN CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)SC1=S ZINC000409339132 557074281 /nfs/dbraw/zinc/07/42/81/557074281.db2.gz FEFCYVDXJWKWHF-LDADJPATSA-N 0 0 428.535 3.934 40 10 IHCBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O ZINC000409366924 557088115 /nfs/dbraw/zinc/08/81/15/557088115.db2.gz XNNLGNRPOIJSGR-GPILYODUSA-N 0 0 441.347 3.893 40 10 IHCBRN CN(C)c1ccc(/C=C/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 ZINC000409369985 557089128 /nfs/dbraw/zinc/08/91/28/557089128.db2.gz IWILFCCYIOOMGE-PDJSDWQYSA-N 0 0 447.560 3.930 40 10 IHCBRN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc[nH+]cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000409385773 557093354 /nfs/dbraw/zinc/09/33/54/557093354.db2.gz IUJCCYPWHNMRDG-KGENOOAVSA-N 0 0 430.533 3.883 40 10 IHCBRN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000009310600 557186408 /nfs/dbraw/zinc/18/64/08/557186408.db2.gz SRDVKMYRWSPPLH-WOJGMQOQSA-N 0 0 428.535 3.852 40 10 IHCBRN C[C@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218288058 557188184 /nfs/dbraw/zinc/18/81/84/557188184.db2.gz YWCMSIHBFAIVBS-AABGKKOBSA-N 0 0 443.613 3.955 40 10 IHCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]32)cc1 ZINC000100323923 557257729 /nfs/dbraw/zinc/25/77/29/557257729.db2.gz AWAWUILLUYUZGG-FDFHNCONSA-N 0 0 443.499 3.818 40 10 IHCBRN CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000102881716 557309582 /nfs/dbraw/zinc/30/95/82/557309582.db2.gz MFTLCJKAKABOPQ-QGOAFFKASA-N 0 0 439.443 3.898 40 10 IHCBRN Cc1ccccc1N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000222560182 557351875 /nfs/dbraw/zinc/35/18/75/557351875.db2.gz QOWHRPJWDSJUDX-UHFFFAOYSA-N 0 0 443.613 3.848 40 10 IHCBRN O=C(CCCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCCc1ccc(O)cc1 ZINC000033588434 557414522 /nfs/dbraw/zinc/41/45/22/557414522.db2.gz IGDURRYUCSPPQI-RGEXLXHISA-N 0 0 444.553 3.872 40 10 IHCBRN CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000223466460 557475058 /nfs/dbraw/zinc/47/50/58/557475058.db2.gz LBAOPBBCXJCVNR-QFIPXVFZSA-N 0 0 431.602 3.702 40 10 IHCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000223660048 557498704 /nfs/dbraw/zinc/49/87/04/557498704.db2.gz QWFDJUQWDQQLBC-PKTZIBPZSA-N 0 0 449.580 3.728 40 10 IHCBRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)C1 ZINC000223852885 557521017 /nfs/dbraw/zinc/52/10/17/557521017.db2.gz NMAKOPCGQMKJSK-SFHVURJKSA-N 0 0 427.570 3.528 40 10 IHCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(N2CCC(C)CC2)cc1 ZINC000225681497 557762290 /nfs/dbraw/zinc/76/22/90/557762290.db2.gz WKTIBPNMWCUDGA-INIZCTEOSA-N 0 0 445.610 3.876 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000225870251 557787239 /nfs/dbraw/zinc/78/72/39/557787239.db2.gz WFCWROKSSZAYMM-UHFFFAOYSA-N 0 0 431.602 3.739 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 ZINC000225874974 557787753 /nfs/dbraw/zinc/78/77/53/557787753.db2.gz LHIZYRONOOTVHU-UHFFFAOYSA-N 0 0 437.993 3.577 40 10 IHCBRN CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)N(C)C1=S ZINC000059140044 557817148 /nfs/dbraw/zinc/81/71/48/557817148.db2.gz MZEKHXTUTKJURY-UHFFFAOYSA-N 0 0 445.338 3.627 40 10 IHCBRN CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2Sc2cccc3cccnc32)C(=O)N(C)C1=O ZINC000059488618 557825636 /nfs/dbraw/zinc/82/56/36/557825636.db2.gz OEBCAQVULRIRJO-UHFFFAOYSA-N 0 0 448.460 3.728 40 10 IHCBRN C[C@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)C1 ZINC000260739910 557852566 /nfs/dbraw/zinc/85/25/66/557852566.db2.gz QNGDTEZERAZOPA-KRWDZBQOSA-N 0 0 446.642 3.805 40 10 IHCBRN C[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000260770932 557854569 /nfs/dbraw/zinc/85/45/69/557854569.db2.gz VFQDVCZPAAHOHI-MSYCTHLASA-N 0 0 443.613 3.733 40 10 IHCBRN CCOC(=O)c1ccccc1NC(=O)C[C@@H]1SC(=S)N(CCc2ccccc2)C1=O ZINC000009024715 568794142 /nfs/dbraw/zinc/79/41/42/568794142.db2.gz BIIFLWHUZCOROI-SFHVURJKSA-N 0 0 442.562 3.664 40 10 IHCBRN O=C1/C(=C/c2ccc3cccc(Cl)c3n2)SC(=S)N1CCCN1CCOCC1 ZINC000054360928 568940794 /nfs/dbraw/zinc/94/07/94/568940794.db2.gz HBRWTQPMJNBQIE-LGMDPLHJSA-N 0 0 433.986 3.812 40 10 IHCBRN COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 ZINC000009423540 569296217 /nfs/dbraw/zinc/29/62/17/569296217.db2.gz LYWNPVXGAPZUCK-GXRSIYKFSA-N 0 0 436.895 3.636 40 10 IHCBRN COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 ZINC000013504734 132348330 /nfs/dbraw/zinc/34/83/30/132348330.db2.gz VKWPKXINVUUNHU-QHCPKHFHSA-N 0 0 438.551 3.779 40 10 IHCBRN C[C@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000022335678 524948522 /nfs/dbraw/zinc/94/85/22/524948522.db2.gz ZMZFNMQPGOABGP-SFHVURJKSA-N 0 0 447.576 3.705 40 10 IHCBRN Cc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1Cc1ccccc1 ZINC000041085151 526085205 /nfs/dbraw/zinc/08/52/05/526085205.db2.gz JWQWJNOJNHBBDB-RYEIUNSYSA-N 0 0 432.553 3.826 40 10 IHCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N1CCCC[C@@H]1CCO ZINC000033589255 526477207 /nfs/dbraw/zinc/47/72/07/526477207.db2.gz GCFIJMXILQJSCW-OVGFGYAMSA-N 0 0 439.002 3.695 40 10 IHCBRN O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000008821577 556223094 /nfs/dbraw/zinc/22/30/94/556223094.db2.gz WNWCTDQAGANBGR-GDNBJRDFSA-N 0 0 433.352 3.924 40 10 IHCBRN COc1cc(C=C2SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc(OC)c1OC ZINC000008821894 556223858 /nfs/dbraw/zinc/22/38/58/556223858.db2.gz VKZIGOVQTOSAMD-WQRHYEAKSA-N 0 0 427.482 3.753 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc(OC)c1O ZINC000009188835 556252023 /nfs/dbraw/zinc/25/20/23/556252023.db2.gz ICKQDUVXKXYZOI-IUXPMGMMSA-N 0 0 431.491 3.540 40 10 IHCBRN Cc1ccc(C)c(N(CCCC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000013632457 556539903 /nfs/dbraw/zinc/53/99/03/556539903.db2.gz QHCPQTJTVVFDDX-UHFFFAOYSA-N 0 0 443.613 3.766 40 10 IHCBRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)C(=S)NCc1ccco1)OCO3 ZINC000006446506 556833536 /nfs/dbraw/zinc/83/35/36/556833536.db2.gz XQDPIYZOTSLCIB-UHFFFAOYSA-N 0 0 447.516 3.927 40 10 IHCBRN CCN1CCCc2cc(CN3CCc4c(nc([C@@H]5CCCN5C(C)=O)nc4NC)C3)ccc21 ZINC000019707330 556866794 /nfs/dbraw/zinc/86/67/94/556866794.db2.gz DHXLOFURPSXLTA-DEOSSOPVSA-N 0 0 448.615 3.533 40 10 IHCBRN Cc1cc(C)cc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)c1 ZINC000408889427 556878765 /nfs/dbraw/zinc/87/87/65/556878765.db2.gz GRQYDSLKMNTYBF-UHFFFAOYSA-N 0 0 445.338 3.559 40 10 IHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000408892808 556881510 /nfs/dbraw/zinc/88/15/10/556881510.db2.gz JRMIFIWURJKQAY-QNGOZBTKSA-N 0 0 437.492 3.628 40 10 IHCBRN Cc1cccc(COc2ccc(C=C3C(=O)NC(=S)N(C)C3=O)cc2Br)c1 ZINC000408911836 556888484 /nfs/dbraw/zinc/88/84/84/556888484.db2.gz OPOPRIXBMARQGQ-OQLLNIDSSA-N 0 0 445.338 3.593 40 10 IHCBRN COc1ccccc1-n1c(C)cc(CN2CCc3c(=O)[nH]c(-c4ccccn4)nc3C2)c1C ZINC000072336807 556909485 /nfs/dbraw/zinc/90/94/85/556909485.db2.gz LQOBEYVAEZWSLG-UHFFFAOYSA-N 0 0 441.535 3.806 40 10 IHCBRN O=C(CSc1ccc(C=C2SC(=S)NC2=O)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000408993818 556913019 /nfs/dbraw/zinc/91/30/19/556913019.db2.gz WYYVYCDYHJZIJQ-DHDCSXOGSA-N 0 0 431.520 3.814 40 10 IHCBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O ZINC000409010925 556918172 /nfs/dbraw/zinc/91/81/72/556918172.db2.gz GHHXEMMORHYKGM-XKYMITNMSA-N 0 0 443.481 3.990 40 10 IHCBRN CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409018724 556920092 /nfs/dbraw/zinc/92/00/92/556920092.db2.gz YQZGQECKNJGUHY-UHFFFAOYSA-N 0 0 439.464 3.631 40 10 IHCBRN CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409015791 556921177 /nfs/dbraw/zinc/92/11/77/556921177.db2.gz BGGWVRRXTXGOTA-LFIBNONCSA-N 0 0 430.913 3.921 40 10 IHCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409022564 556923026 /nfs/dbraw/zinc/92/30/26/556923026.db2.gz VITBJTIZLMTKEN-FYJGNVAPSA-N 0 0 443.507 3.637 40 10 IHCBRN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000409059594 556936866 /nfs/dbraw/zinc/93/68/66/556936866.db2.gz SISUVSMWIBHJAM-STZFKDTASA-N 0 0 426.488 3.942 40 10 IHCBRN CNc1nc([C@H]2CCCCN2Cc2ccc(N3CCCC3)cc2)nc2c1CCN(C(C)=O)C2 ZINC000072376565 556955169 /nfs/dbraw/zinc/95/51/69/556955169.db2.gz LPUVZNKRTKFZRZ-XMMPIXPASA-N 0 0 448.615 3.750 40 10 IHCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O ZINC000409100791 556955473 /nfs/dbraw/zinc/95/54/73/556955473.db2.gz WSFCLDGTBNNBHI-IYSPOMMRSA-N 0 0 427.526 3.758 40 10 IHCBRN CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O ZINC000409169764 556980394 /nfs/dbraw/zinc/98/03/94/556980394.db2.gz ZJXNPAPSBDYKJA-YBEGLDIGSA-N 0 0 435.265 3.611 40 10 IHCBRN CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 ZINC000409193751 556992982 /nfs/dbraw/zinc/99/29/82/556992982.db2.gz LJFTWYYKRGOVFF-UHFFFAOYSA-N 0 0 430.844 3.599 40 10 IHCBRN O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1ccccc1Br ZINC000409328831 557063167 /nfs/dbraw/zinc/06/31/67/557063167.db2.gz BIMBHJGLFAELFA-OVCLIPMQSA-N 0 0 449.282 3.535 40 10 IHCBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409344840 557071777 /nfs/dbraw/zinc/07/17/77/557071777.db2.gz HOHDSMQXUSUXKC-LICLKQGHSA-N 0 0 444.490 3.943 40 10 IHCBRN COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2cccc3n[nH]cc32)C1 ZINC000585262007 557197931 /nfs/dbraw/zinc/19/79/31/557197931.db2.gz VHOXLLQBHSHQGK-IBGZPJMESA-N 0 0 448.567 3.893 40 10 IHCBRN CC[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000219099059 557225399 /nfs/dbraw/zinc/22/53/99/557225399.db2.gz XAJYHVKZPWOMHR-HSZRJFAPSA-N 0 0 443.613 3.846 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000101102005 557283200 /nfs/dbraw/zinc/28/32/00/557283200.db2.gz CEOFLJUWINRSDL-NJYVYQBISA-N 0 0 429.472 3.510 40 10 IHCBRN NS(=O)(=O)c1ccc(N=Nc2nc3c(ncnc3SCc3ccc(F)cc3)[nH]2)cc1 ZINC000104055100 557319563 /nfs/dbraw/zinc/31/95/63/557319563.db2.gz KKPOEHJGLCTCBF-QPLCGJKRSA-N 0 0 443.489 3.847 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1Cl)[C@@H]1C(=O)N(C3CCCC3)C(=O)[C@@H]12 ZINC000101482360 557457059 /nfs/dbraw/zinc/45/70/59/557457059.db2.gz YBJZLDUSZIIPTM-AQNXPRMDSA-N 0 0 449.890 3.773 40 10 IHCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 ZINC000223618299 557492488 /nfs/dbraw/zinc/49/24/88/557492488.db2.gz ACOSYRWPOSSWIU-DHIUTWEWSA-N 0 0 436.581 3.853 40 10 IHCBRN COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000004082652 557530473 /nfs/dbraw/zinc/53/04/73/557530473.db2.gz UUBLHKKQSQBZJU-HJOGWXRNSA-N 0 0 443.503 3.812 40 10 IHCBRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224504595 557613916 /nfs/dbraw/zinc/61/39/16/557613916.db2.gz ONEJLHRPNGXKJZ-UHFFFAOYSA-N 0 0 437.565 3.816 40 10 IHCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(N2CCCCC2)cc1 ZINC000225681630 557762249 /nfs/dbraw/zinc/76/22/49/557762249.db2.gz LORHRABRFJCWQV-OAHLLOKOSA-N 0 0 431.583 3.630 40 10 IHCBRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000225833196 557782913 /nfs/dbraw/zinc/78/29/13/557782913.db2.gz UCNGWWWLWVANFK-ULJHMMPZSA-N 0 0 445.519 3.512 40 10 IHCBRN COc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225951322 557796256 /nfs/dbraw/zinc/79/62/56/557796256.db2.gz JKCCLDHDTAGSRH-KRWDZBQOSA-N 0 0 440.617 3.951 40 10 IHCBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000059139507 557816727 /nfs/dbraw/zinc/81/67/27/557816727.db2.gz MJJYTJFRBQDPHS-UHFFFAOYSA-N 0 0 430.913 3.526 40 10 IHCBRN O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1CN1CCCCC1 ZINC000059422891 557823461 /nfs/dbraw/zinc/82/34/61/557823461.db2.gz DNDQUGPVEUESKA-GXDHUFHOSA-N 0 0 444.363 3.936 40 10 IHCBRN COc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000260712583 557851133 /nfs/dbraw/zinc/85/11/33/557851133.db2.gz JKCCLDHDTAGSRH-QGZVFWFLSA-N 0 0 440.617 3.951 40 10 IHCBRN C[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000260841126 557860986 /nfs/dbraw/zinc/86/09/86/557860986.db2.gz JLTMZLFREYTORH-UXHICEINSA-N 0 0 443.613 3.562 40 10 IHCBRN Cc1nnc(Nc2cccc([C@H]3CN(Cc4ccc5c(c4)CCCN5C)CCO3)n2)s1 ZINC000257304240 568713166 /nfs/dbraw/zinc/71/31/66/568713166.db2.gz SKSIZPBCWDXTKC-OAQYLSRUSA-N 0 0 436.585 3.941 40 10 IHCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C2=O)o1 ZINC000108136162 569252436 /nfs/dbraw/zinc/25/24/36/569252436.db2.gz PATRSJNQRONMHN-NDENLUEZSA-N 0 0 433.464 3.626 40 10 IHCBRN COc1ccc(NC2=NC(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)S2)cc1[N+](=O)[O-] ZINC000033437779 569259251 /nfs/dbraw/zinc/25/92/51/569259251.db2.gz VFGCHFKEJSOBBJ-MFOYZWKCSA-N 0 0 445.453 3.712 40 10 IHCBRN CCC[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000009972446 569298818 /nfs/dbraw/zinc/29/88/18/569298818.db2.gz HJHKXSHNECMLOX-OYSWMMLKSA-N 0 0 444.487 3.619 40 10 IHCBRN COc1ccc(Br)cc1/C=C1/C(=N)N2N=C(c3ccco3)SC2=NC1=O ZINC000041076777 569526541 /nfs/dbraw/zinc/52/65/41/569526541.db2.gz ZKEIKAJYOZIQOE-KWJVRTRQSA-N 0 0 431.271 3.718 40 10 IHCBRN COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)cc1 ZINC000041085143 523310748 /nfs/dbraw/zinc/31/07/48/523310748.db2.gz JWBRVQLFNYSKHX-RYEIUNSYSA-N 0 0 448.552 3.775 40 10 IHCBRN COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)c(OC)c1 ZINC000012274932 524382245 /nfs/dbraw/zinc/38/22/45/524382245.db2.gz ZNHBEZSPLLIZOK-MFOYZWKCSA-N 0 0 433.507 3.832 40 10 IHCBRN Cc1cccc(N2CCN([C@H](c3nnnn3C(C)C)c3ccc(N(C)C)cc3)CC2)c1C ZINC000035289892 524560354 /nfs/dbraw/zinc/56/03/54/524560354.db2.gz MMCHXKLKJQXUDG-DEOSSOPVSA-N 0 0 433.604 3.848 40 10 IHCBRN Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]32)c1 ZINC000018249424 524899909 /nfs/dbraw/zinc/89/99/09/524899909.db2.gz XFERLAHJCNXKPM-FDFHNCONSA-N 0 0 443.499 3.818 40 10 IHCBRN N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(N3CCCC3)=NN21 ZINC000041084926 526835742 /nfs/dbraw/zinc/83/57/42/526835742.db2.gz LPOVZKVVYSXKKB-WSYITQDSSA-N 0 0 436.453 3.527 40 10 IHCBRN Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408528988 555722214 /nfs/dbraw/zinc/72/22/14/555722214.db2.gz GPECXIUQCZAINZ-WQLSENKSSA-N 0 0 430.237 3.889 40 10 IHCBRN CCOC(=O)[C@@H](C(=O)c1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1O ZINC000004642503 556004859 /nfs/dbraw/zinc/00/48/59/556004859.db2.gz CODIZTLUWWWEQP-OAQYLSRUSA-N 0 0 439.489 3.723 40 10 IHCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccnc3)C2=O)cc1OC ZINC000008819477 556219286 /nfs/dbraw/zinc/21/92/86/556219286.db2.gz ICLSZPFLIGYIPO-PDGQHHTCSA-N 0 0 443.550 3.719 40 10 IHCBRN CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000009259361 556267635 /nfs/dbraw/zinc/26/76/35/556267635.db2.gz QFWLYQKXJXWOAB-RIYZIHGNSA-N 0 0 448.903 3.713 40 10 IHCBRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000013669037 556549570 /nfs/dbraw/zinc/54/95/70/556549570.db2.gz HAOPMLXLOGGRKU-UHFFFAOYSA-N 0 0 441.597 3.700 40 10 IHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000408767316 556830090 /nfs/dbraw/zinc/83/00/90/556830090.db2.gz FPZUHTNYNKOCEX-HKWRFOASSA-N 0 0 437.492 3.628 40 10 IHCBRN COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000006461777 556833529 /nfs/dbraw/zinc/83/35/29/556833529.db2.gz AREHQCXILQGCLL-ZTPJVXOPSA-N 0 0 436.493 3.792 40 10 IHCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)OC)cc1 ZINC000408769378 556847143 /nfs/dbraw/zinc/84/71/43/556847143.db2.gz SJCGYKUHZLTEML-STZFKDTASA-N 0 0 435.476 3.814 40 10 IHCBRN CCOc1c(I)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC ZINC000409005013 556915598 /nfs/dbraw/zinc/91/55/98/556915598.db2.gz CUEIXUOTUULZSA-WQLSENKSSA-N 0 0 449.335 3.920 40 10 IHCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000409023521 556923516 /nfs/dbraw/zinc/92/35/16/556923516.db2.gz GKQATYJVUWCVPP-DHDCSXOGSA-N 0 0 429.856 3.940 40 10 IHCBRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000409061708 556939384 /nfs/dbraw/zinc/93/93/84/556939384.db2.gz GJQCFTFBYHCEMK-PDGQHHTCSA-N 0 0 429.929 3.554 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OC ZINC000409080126 556947239 /nfs/dbraw/zinc/94/72/39/556947239.db2.gz LLWKZCOWNDPEFY-ZEVOCZHWSA-N 0 0 444.372 3.847 40 10 IHCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(Br)cc1O ZINC000409090163 556951690 /nfs/dbraw/zinc/95/16/90/556951690.db2.gz LTSUJWGLLDEKQJ-URXIRXLPSA-N 0 0 444.372 3.934 40 10 IHCBRN Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O ZINC000409096817 556953207 /nfs/dbraw/zinc/95/32/07/556953207.db2.gz FCHRHDUXPZHWDP-ZHZULCJRSA-N 0 0 437.521 3.507 40 10 IHCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O ZINC000409128465 556966557 /nfs/dbraw/zinc/96/65/57/556966557.db2.gz OWQVSXQYAKDQQI-XDHOZWIPSA-N 0 0 428.510 3.872 40 10 IHCBRN COCCNC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000409201214 557000329 /nfs/dbraw/zinc/00/03/29/557000329.db2.gz KPNSYXSJLCXRRE-WQRHYEAKSA-N 0 0 447.944 3.546 40 10 IHCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000409245669 557027310 /nfs/dbraw/zinc/02/73/10/557027310.db2.gz XHRCSXZUZKEYFR-STZFKDTASA-N 0 0 444.491 3.634 40 10 IHCBRN CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=S ZINC000409342642 557070288 /nfs/dbraw/zinc/07/02/88/557070288.db2.gz CAMXRFRBHHEXFC-LDADJPATSA-N 0 0 428.535 3.934 40 10 IHCBRN CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O ZINC000409352072 557079634 /nfs/dbraw/zinc/07/96/34/557079634.db2.gz YKMBZSRGFJWANV-NVNXTCNLSA-N 0 0 441.347 3.751 40 10 IHCBRN COc1ccc2[nH]cc(CCNC(C)=C3C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3C)c2c1 ZINC000103916824 557140668 /nfs/dbraw/zinc/14/06/68/557140668.db2.gz YHNHVYOMYDYICZ-HMAPJEAMSA-N 0 0 433.468 3.914 40 10 IHCBRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000216344162 557143765 /nfs/dbraw/zinc/14/37/65/557143765.db2.gz JBXBBQDOQHLIDR-UHFFFAOYSA-N 0 0 441.597 3.533 40 10 IHCBRN CC[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000219113158 557226452 /nfs/dbraw/zinc/22/64/52/557226452.db2.gz CXDDCXAUVXCYTI-QFIPXVFZSA-N 0 0 447.576 3.677 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]12 ZINC000101169716 557284142 /nfs/dbraw/zinc/28/41/42/557284142.db2.gz ROOZMGFMZVXKTF-NJDAHSKKSA-N 0 0 441.414 3.521 40 10 IHCBRN CCC[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000033654241 557341597 /nfs/dbraw/zinc/34/15/97/557341597.db2.gz HJHKXSHNECMLOX-YGWSKSRPSA-N 0 0 444.487 3.619 40 10 IHCBRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccccc1C ZINC000013566395 557344551 /nfs/dbraw/zinc/34/45/51/557344551.db2.gz XKRRWAZRIIQWBS-UHFFFAOYSA-N 0 0 440.477 3.785 40 10 IHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(F)c1 ZINC000014414389 557445384 /nfs/dbraw/zinc/44/53/84/557445384.db2.gz BFMMSZVEGUKXHR-UYRXBGFRSA-N 0 0 425.456 3.758 40 10 IHCBRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000223714989 557505183 /nfs/dbraw/zinc/50/51/83/557505183.db2.gz BSIZJOLDWXGCOJ-PKTZIBPZSA-N 0 0 449.580 3.810 40 10 IHCBRN CCN(CC)c1ccc(CNS(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000224447627 557607165 /nfs/dbraw/zinc/60/71/65/557607165.db2.gz DCTZMBXAPAYCEE-UHFFFAOYSA-N 0 0 427.364 3.782 40 10 IHCBRN CCOC(=O)c1cc(NC(=S)NCc2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000225421476 557721459 /nfs/dbraw/zinc/72/14/59/557721459.db2.gz LGJXRLDMVLOTPA-UHFFFAOYSA-N 0 0 433.961 3.840 40 10 IHCBRN COc1ccc(N2CCN(C(=O)CCc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000225809341 557779570 /nfs/dbraw/zinc/77/95/70/557779570.db2.gz RCROYJOMIGMDNG-UHFFFAOYSA-N 0 0 426.904 3.680 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(F)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000226451143 557806967 /nfs/dbraw/zinc/80/69/67/557806967.db2.gz MUKPFLNQXJJISD-NJYVYQBISA-N 0 0 441.414 3.521 40 10 IHCBRN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)cc1 ZINC000059138960 557816467 /nfs/dbraw/zinc/81/64/67/557816467.db2.gz XYKKDWOXSJVZLS-XMHGGMMESA-N 0 0 430.416 3.742 40 10 IHCBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000059139521 557816981 /nfs/dbraw/zinc/81/69/81/557816981.db2.gz POQCXACVYIDYEE-UHFFFAOYSA-N 0 0 448.903 3.665 40 10 IHCBRN CC[C@H](C)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC000006350920 569259040 /nfs/dbraw/zinc/25/90/40/569259040.db2.gz QWTGQGINYVJNOO-KRWDZBQOSA-N 0 0 427.501 3.845 40 10 IHCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000107650090 569260520 /nfs/dbraw/zinc/26/05/20/569260520.db2.gz NGENUZZITPAOQY-DHDCSXOGSA-N 0 0 449.897 3.803 40 10 IHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000107760626 569260531 /nfs/dbraw/zinc/26/05/31/569260531.db2.gz CUNTXCBFOCSHSK-STZFKDTASA-N 0 0 437.492 3.628 40 10 IHCBRN O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000208640730 569261333 /nfs/dbraw/zinc/26/13/33/569261333.db2.gz ZXQUKMPRYBBJPB-PDGQHHTCSA-N 0 0 427.507 3.837 40 10 IHCBRN CCC[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000009972443 569298845 /nfs/dbraw/zinc/29/88/45/569298845.db2.gz HJHKXSHNECMLOX-MSZDEVHKSA-N 0 0 444.487 3.619 40 10 IHCBRN COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OC ZINC000009425759 569533278 /nfs/dbraw/zinc/53/32/78/569533278.db2.gz UJDBHGKEARFKCL-UYRXBGFRSA-N 0 0 431.535 3.993 40 10 IHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000041078338 521960051 /nfs/dbraw/zinc/96/00/51/521960051.db2.gz LDSOLBFRLVHDBF-RURBFHCNSA-N 0 0 434.408 3.633 40 10 IHCBRN Cc1cc(CN2CCc3c(=O)[nH]c(-c4ccncc4)nc3C2)c(C)n1-c1ccccc1F ZINC000012222962 524710494 /nfs/dbraw/zinc/71/04/94/524710494.db2.gz OJRIFKQZWGHMIF-UHFFFAOYSA-N 0 0 429.499 3.937 40 10 IHCBRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)cc1 ZINC000015134613 524887417 /nfs/dbraw/zinc/88/74/17/524887417.db2.gz ITIPWFNHHJWFRV-UHFFFAOYSA-N 0 0 437.565 3.816 40 10 IHCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(CCO)c3ccccc3)C2=O)cc1 ZINC000001179771 525959318 /nfs/dbraw/zinc/95/93/18/525959318.db2.gz FHTYIXDWEPAZQU-XDJHFCHBSA-N 0 0 426.563 3.612 40 10 IHCBRN N=C1/C(=C/c2cccn2Cc2ccccc2F)C(=O)N=C2SC(N3CCCCC3)=NN21 ZINC000041084773 526838844 /nfs/dbraw/zinc/83/88/44/526838844.db2.gz DHEAVEBHOYDIFZ-MGTNDIQKSA-N 0 0 436.516 3.738 40 10 IHCBRN CN1C(=O)/C(=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)SC1=S ZINC000408724722 556154268 /nfs/dbraw/zinc/15/42/68/556154268.db2.gz HADCCDSSZUHMNS-UUASQNMZSA-N 0 0 445.434 3.553 40 10 IHCBRN Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(I)cc1 ZINC000408744427 556225126 /nfs/dbraw/zinc/22/51/26/556225126.db2.gz ZQTIMSBQWMKXQP-UHFFFAOYSA-N 0 0 426.323 3.706 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(N)=O ZINC000009188633 556251378 /nfs/dbraw/zinc/25/13/78/556251378.db2.gz RHGVGSHRBLUOSD-IUXPMGMMSA-N 0 0 448.953 3.927 40 10 IHCBRN COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1OCCO ZINC000019418486 556755349 /nfs/dbraw/zinc/75/53/49/556755349.db2.gz VTXDCYCVKOYQCB-BOPFTXTBSA-N 0 0 431.286 3.635 40 10 IHCBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OC(=O)c3ccccc3Br)cc2)S1 ZINC000408767144 556830098 /nfs/dbraw/zinc/83/00/98/556830098.db2.gz WACSGGNLAPSZLL-YBEGLDIGSA-N 0 0 445.294 3.775 40 10 IHCBRN O=C1NC(=S)NC(=O)C1=Cc1ccc(Cc2ccccc2Cl)c(Br)c1 ZINC000408873608 556875587 /nfs/dbraw/zinc/87/55/87/556875587.db2.gz SYWLHMUWNPURDM-UHFFFAOYSA-N 0 0 435.730 3.608 40 10 IHCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 ZINC000409000591 556914292 /nfs/dbraw/zinc/91/42/92/556914292.db2.gz YZNZSEGHSLCAKA-PDGQHHTCSA-N 0 0 438.436 3.879 40 10 IHCBRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])C(C(=O)OC)=C2C)cc1 ZINC000409022637 556923057 /nfs/dbraw/zinc/92/30/57/556923057.db2.gz DYMXYYOGUJPEFN-AQTBWJFISA-N 0 0 436.420 3.649 40 10 IHCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409058081 556935184 /nfs/dbraw/zinc/93/51/84/556935184.db2.gz RDCYORREVBKYRP-UHFFFAOYSA-N 0 0 425.268 3.626 40 10 IHCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1OC ZINC000409133309 556968218 /nfs/dbraw/zinc/96/82/18/556968218.db2.gz QDERFNBWJRHCJX-GDNBJRDFSA-N 0 0 447.310 3.867 40 10 IHCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)ccc1N1CCCC1 ZINC000409216480 557011379 /nfs/dbraw/zinc/01/13/79/557011379.db2.gz LRGDKMYIDFOEBQ-UNOMPAQXSA-N 0 0 425.510 3.541 40 10 IHCBRN CCCOc1c(I)cc(C=C2SC(=S)NC2=O)cc1OCC ZINC000409328677 557062925 /nfs/dbraw/zinc/06/29/25/557062925.db2.gz ZTBHPGRCJXWNTB-XYOKQWHBSA-N 0 0 449.335 3.968 40 10 IHCBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(O[C@@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000100928907 557118713 /nfs/dbraw/zinc/11/87/13/557118713.db2.gz YGRSVIBUWOLDRY-BHIFYINESA-N 0 0 437.451 3.690 40 10 IHCBRN O=C(CCCN1c2cccc3cccc(c23)C1=O)NCc1ccc(N2CCOCC2)cc1 ZINC000219467821 557252174 /nfs/dbraw/zinc/25/21/74/557252174.db2.gz QMIOKYOQHDJSDK-UHFFFAOYSA-N 0 0 429.520 3.733 40 10 IHCBRN COc1cc(N2CCOCC2)c(OC)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222596297 557358562 /nfs/dbraw/zinc/35/85/62/557358562.db2.gz LOGGNXOYPXWLDM-UZQPLGKSSA-N 0 0 440.569 3.525 40 10 IHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000222725606 557379619 /nfs/dbraw/zinc/37/96/19/557379619.db2.gz BERKBRNSQJOYHU-ZEQRLZLVSA-N 0 0 447.608 3.928 40 10 IHCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000223659993 557498683 /nfs/dbraw/zinc/49/86/83/557498683.db2.gz QWFDJUQWDQQLBC-GOTSBHOMSA-N 0 0 449.580 3.728 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000223732727 557507173 /nfs/dbraw/zinc/50/71/73/557507173.db2.gz JSKZIOHWNHHJPP-UHFFFAOYSA-N 0 0 439.581 3.623 40 10 IHCBRN O=C(NCc1ccc(N2CCOCC2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000223767456 557510780 /nfs/dbraw/zinc/51/07/80/557510780.db2.gz MQGVHDDYPQVMEH-QJOMJCCJSA-N 0 0 447.560 3.672 40 10 IHCBRN COc1ccc(N2CCN(C(=O)c3ccc(C)cc3I)CC2)cc1 ZINC000225014411 557677941 /nfs/dbraw/zinc/67/79/41/557677941.db2.gz GVRCBIOBGKFOJQ-UHFFFAOYSA-N 0 0 436.293 3.571 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 ZINC000225385105 557717246 /nfs/dbraw/zinc/71/72/46/557717246.db2.gz DAYDKRTZYZNFEC-UHFFFAOYSA-N 0 0 431.602 3.704 40 10 IHCBRN C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)C1 ZINC000225690957 557764405 /nfs/dbraw/zinc/76/44/05/557764405.db2.gz QNGDTEZERAZOPA-QGZVFWFLSA-N 0 0 446.642 3.805 40 10 IHCBRN COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000058866048 557812373 /nfs/dbraw/zinc/81/23/73/557812373.db2.gz UPFTZFBEJHAFAB-UHFFFAOYSA-N 0 0 439.420 3.936 40 10 IHCBRN COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000059426473 557823636 /nfs/dbraw/zinc/82/36/36/557823636.db2.gz QCHJIUQFXGNZQO-UHFFFAOYSA-N 0 0 430.460 3.861 40 10 IHCBRN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059514356 557826846 /nfs/dbraw/zinc/82/68/46/557826846.db2.gz ZGLDZVKNQUYGBF-MHWRWJLKSA-N 0 0 430.463 3.702 40 10 IHCBRN C[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000260760985 557853529 /nfs/dbraw/zinc/85/35/29/557853529.db2.gz DDTKNOFOBALNFZ-XXBNENTESA-N 0 0 443.613 3.733 40 10 IHCBRN COc1cc(N2CCOCC2)c(OC)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260769329 557853550 /nfs/dbraw/zinc/85/35/50/557853550.db2.gz LOGGNXOYPXWLDM-KBJGYGKASA-N 0 0 440.569 3.525 40 10 IHCBRN CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)C(=CNc2ccccc2OC)SC1=S ZINC000256055602 568663493 /nfs/dbraw/zinc/66/34/93/568663493.db2.gz MSEZNFJJIKQOMY-SQFNAUOLSA-N 0 0 442.562 3.983 40 10 IHCBRN CN1CCCc2cc(CN3CCO[C@H](c4cccc(-c5cccc(C(N)=O)c5)n4)C3)ccc21 ZINC000257309456 568715137 /nfs/dbraw/zinc/71/51/37/568715137.db2.gz UBAAGVDAABAORA-SANMLTNESA-N 0 0 442.563 3.803 40 10 IHCBRN COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 ZINC000103521656 568897348 /nfs/dbraw/zinc/89/73/48/568897348.db2.gz SWLLMWRMWZRRET-CZYKHXBRSA-N 0 0 448.494 3.839 40 10 IHCBRN O=C1/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1ccccc1 ZINC000208676664 569261348 /nfs/dbraw/zinc/26/13/48/569261348.db2.gz NJAGDZCZAHRZJZ-AQTBWJFISA-N 0 0 427.507 3.837 40 10 IHCBRN COc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1OC ZINC000008821679 132295035 /nfs/dbraw/zinc/29/50/35/132295035.db2.gz AUSYTYUJAMGLLR-ZHZULCJRSA-N 0 0 427.501 3.635 40 10 IHCBRN COc1ccc(N2CCN([C@H](c3nnnn3CCC(C)C)c3ccc(F)cc3)CC2)cc1 ZINC000013505351 132348886 /nfs/dbraw/zinc/34/88/86/132348886.db2.gz HTDJVQAAVMIMDM-QHCPKHFHSA-N 0 0 438.551 3.779 40 10 IHCBRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(O)c(O)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675985 520183163 /nfs/dbraw/zinc/18/31/63/520183163.db2.gz FNLKNVSNXBQQAZ-NHCUHLMSSA-N 0 0 437.496 3.753 40 10 IHCBRN CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000041108138 520809617 /nfs/dbraw/zinc/80/96/17/520809617.db2.gz VXIMLKOYASBCRO-RKPSFQJFSA-N 0 0 425.426 3.893 40 10 IHCBRN COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 ZINC000041078517 524963435 /nfs/dbraw/zinc/96/34/35/524963435.db2.gz PSCCHQHZZMDXIG-GKJKXNJGSA-N 0 0 449.463 3.612 40 10 IHCBRN COc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1 ZINC000041077631 524963848 /nfs/dbraw/zinc/96/38/48/524963848.db2.gz DAZVNDIYUCDWGB-UYRXBGFRSA-N 0 0 431.535 3.993 40 10 IHCBRN COC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O ZINC000408548922 555850434 /nfs/dbraw/zinc/85/04/34/555850434.db2.gz NLOSVDYCLIKXHR-HMAPJEAMSA-N 0 0 429.476 3.827 40 10 IHCBRN COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N(C)Cc2ccccc2)C1=O ZINC000008819349 556218997 /nfs/dbraw/zinc/21/89/97/556218997.db2.gz IJRZFZVKEBFRQD-RGEXLXHISA-N 0 0 426.563 3.945 40 10 IHCBRN COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CC(=O)OC(C)(C)C)C1=O ZINC000009259894 556268041 /nfs/dbraw/zinc/26/80/41/556268041.db2.gz ZANZFSTXROZXFR-WOJGMQOQSA-N 0 0 448.541 3.682 40 10 IHCBRN COc1cc2c(cc1OC)[C@@H](c1ccc(N(C)CCO)cc1)N[C@@H](c1ccc(C)cn1)C2 ZINC000019216077 556711836 /nfs/dbraw/zinc/71/18/36/556711836.db2.gz KYOUIGDYLHWNJN-ZEQKJWHPSA-N 0 0 433.552 3.812 40 10 IHCBRN O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N(c2cccc(O)c2)C1=O ZINC000002451225 556799598 /nfs/dbraw/zinc/79/95/98/556799598.db2.gz DDZGUUDEFJSSAA-BUHFOSPRSA-N 0 0 433.308 3.883 40 10 IHCBRN CCN1C(=O)C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)N(CC)C1=S ZINC000408943691 556897598 /nfs/dbraw/zinc/89/75/98/556897598.db2.gz LTSNJABBGFMMMU-UHFFFAOYSA-N 0 0 432.343 3.619 40 10 IHCBRN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409002862 556914128 /nfs/dbraw/zinc/91/41/28/556914128.db2.gz WYRZYNCXWRGNDG-UHFFFAOYSA-N 0 0 449.507 3.727 40 10 IHCBRN COCCN1C(=O)/C(=C/c2cccn2-c2ccc(C)cc2)C(=O)N(c2ccccc2)C1=O ZINC000409009244 556917455 /nfs/dbraw/zinc/91/74/55/556917455.db2.gz CIWUHLBITRUDCT-XLNRJJMWSA-N 0 0 429.476 3.811 40 10 IHCBRN COCCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)C(=O)N(c2ccccc2)C1=O ZINC000409013444 556917664 /nfs/dbraw/zinc/91/76/64/556917664.db2.gz NIRMVIRICVKDHG-RGEXLXHISA-N 0 0 438.480 3.508 40 10 IHCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000409057480 556934801 /nfs/dbraw/zinc/93/48/01/556934801.db2.gz GQPJXYFYKBTOSB-ATVHPVEESA-N 0 0 439.464 3.598 40 10 IHCBRN Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409069945 556944545 /nfs/dbraw/zinc/94/45/45/556944545.db2.gz BRQRAZVTTWNWAG-MOSHPQCFSA-N 0 0 439.493 3.976 40 10 IHCBRN O=C1N/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000409103704 556952057 /nfs/dbraw/zinc/95/20/57/556952057.db2.gz FDFYWUCNRXDZGS-ODLFYWEKSA-N 0 0 432.307 3.923 40 10 IHCBRN CCOC(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2cc(Br)ccc21 ZINC000409133457 556968199 /nfs/dbraw/zinc/96/81/99/556968199.db2.gz LVEKGSKHNLPUPW-NSIKDUERSA-N 0 0 439.356 3.798 40 10 IHCBRN CCOC(=O)COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OC ZINC000409200081 556999495 /nfs/dbraw/zinc/99/94/95/556999495.db2.gz GOZXYCRAYPZYKE-WQRHYEAKSA-N 0 0 446.550 3.593 40 10 IHCBRN CCCNC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O ZINC000409212771 557007319 /nfs/dbraw/zinc/00/73/19/557007319.db2.gz RCCBYGHNFRPOQB-WQRHYEAKSA-N 0 0 442.497 3.565 40 10 IHCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000409253302 557037590 /nfs/dbraw/zinc/03/75/90/557037590.db2.gz TXQUZUASVICBRF-LPYMAVHISA-N 0 0 428.492 3.594 40 10 IHCBRN Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)N2CCC(C)CC2)C1=O ZINC000409349424 557077513 /nfs/dbraw/zinc/07/75/13/557077513.db2.gz QXFCBPUEDWGEAG-XSFVSMFZSA-N 0 0 427.570 3.890 40 10 IHCBRN C[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218335916 557193471 /nfs/dbraw/zinc/19/34/71/557193471.db2.gz GNVDLYQSKDTHIG-MSOLQXFVSA-N 0 0 429.586 3.810 40 10 IHCBRN C[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000218342481 557193812 /nfs/dbraw/zinc/19/38/12/557193812.db2.gz MMAFDGVVFDSYRC-SFHVURJKSA-N 0 0 429.586 3.810 40 10 IHCBRN COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2ccc3nccn3c2)C1 ZINC000585261991 557198096 /nfs/dbraw/zinc/19/80/96/557198096.db2.gz MECYUAFWTNMDGY-NRFANRHFSA-N 0 0 448.567 3.665 40 10 IHCBRN C[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(N4CCCCS4(=O)=O)c3)cc2)C1 ZINC000260565606 557287492 /nfs/dbraw/zinc/28/74/92/557287492.db2.gz QJJACAQZWBFYAM-IBGZPJMESA-N 0 0 441.597 3.783 40 10 IHCBRN CC[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220602977 557302238 /nfs/dbraw/zinc/30/22/38/557302238.db2.gz GIMKOFIFNPKHOM-NRFANRHFSA-N 0 0 447.576 3.677 40 10 IHCBRN Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1N1CCCCS1(=O)=O ZINC000222572381 557354207 /nfs/dbraw/zinc/35/42/07/557354207.db2.gz BJWBKJAQLRCQEB-UHFFFAOYSA-N 0 0 441.597 3.845 40 10 IHCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000222586399 557356554 /nfs/dbraw/zinc/35/65/54/557356554.db2.gz XDQWFHHZXFMPMJ-UHFFFAOYSA-N 0 0 427.570 3.537 40 10 IHCBRN COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260572683 557492547 /nfs/dbraw/zinc/49/25/47/557492547.db2.gz QNUKBRQRJFKAIH-HNNXBMFYSA-N 0 0 436.961 3.841 40 10 IHCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000223714924 557505097 /nfs/dbraw/zinc/50/50/97/557505097.db2.gz BSIZJOLDWXGCOJ-GOTSBHOMSA-N 0 0 449.580 3.810 40 10 IHCBRN Cc1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1N1CCCC1=O ZINC000223853268 557520916 /nfs/dbraw/zinc/52/09/16/557520916.db2.gz NHIHUIUAAOPIFV-GOSISDBHSA-N 0 0 441.597 3.837 40 10 IHCBRN COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000223866327 557522503 /nfs/dbraw/zinc/52/25/03/557522503.db2.gz QNUKBRQRJFKAIH-OAHLLOKOSA-N 0 0 436.961 3.841 40 10 IHCBRN C[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(N2CCCC2)cc1 ZINC000224392161 557600917 /nfs/dbraw/zinc/60/09/17/557600917.db2.gz MABMXZINFLTHLP-GOSISDBHSA-N 0 0 427.570 3.708 40 10 IHCBRN CCn1c2ccc(S(=O)(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)cc2sc1=O ZINC000225697596 557765834 /nfs/dbraw/zinc/76/58/34/557765834.db2.gz VMVBSUWOAHFBQX-MRXNPFEDSA-N 0 0 445.610 3.798 40 10 IHCBRN CCN(CCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1 ZINC000225733877 557770253 /nfs/dbraw/zinc/77/02/53/557770253.db2.gz JBZSWUQOTRZTQU-UHFFFAOYSA-N 0 0 434.631 3.594 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000225797672 557778774 /nfs/dbraw/zinc/77/87/74/557778774.db2.gz DOCKAXLBYKBDJS-UHFFFAOYSA-N 0 0 431.602 3.739 40 10 IHCBRN COc1c(Br)cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1Br ZINC000058866104 557812329 /nfs/dbraw/zinc/81/23/29/557812329.db2.gz MGMFAWSGEVROER-UHFFFAOYSA-N 0 0 446.091 3.974 40 10 IHCBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000059139520 557816916 /nfs/dbraw/zinc/81/69/16/557816916.db2.gz SQNZDGKJRMRJDK-UHFFFAOYSA-N 0 0 448.903 3.665 40 10 IHCBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000059139524 557816924 /nfs/dbraw/zinc/81/69/24/557816924.db2.gz NDTNEBIOUAEASH-UHFFFAOYSA-N 0 0 444.940 3.835 40 10 IHCBRN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000059109601 557820654 /nfs/dbraw/zinc/82/06/54/557820654.db2.gz WHMPBAVXSXBGRP-UHFFFAOYSA-N 0 0 430.302 3.599 40 10 IHCBRN CCn1c2ccc(S(=O)(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)cc2sc1=O ZINC000260802994 557857780 /nfs/dbraw/zinc/85/77/80/557857780.db2.gz VMVBSUWOAHFBQX-INIZCTEOSA-N 0 0 445.610 3.798 40 10 IHCBRN CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(=CNCc2ccccc2)SC1=S ZINC000256055346 568663274 /nfs/dbraw/zinc/66/32/74/568663274.db2.gz CQCOILIMNVAZMY-SWVCQTRFSA-N 0 0 426.563 3.652 40 10 IHCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S ZINC000001238479 568788204 /nfs/dbraw/zinc/78/82/04/568788204.db2.gz YTNGQXNVMAFVRT-ODLFYWEKSA-N 0 0 443.546 3.957 40 10 IHCBRN O=C(CSCc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000013672124 132352988 /nfs/dbraw/zinc/35/29/88/132352988.db2.gz AMPVTMRCPQOJAV-UHFFFAOYSA-N 0 0 435.387 3.835 40 10 IHCBRN CC(C)c1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000022395343 519844374 /nfs/dbraw/zinc/84/43/74/519844374.db2.gz RVXIWAAFKLEIRQ-UHFFFAOYSA-N 0 0 443.613 3.883 40 10 IHCBRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(O)c(O)c2)[C@H](C(=O)OCC)C1=O ZINC000020675982 520182193 /nfs/dbraw/zinc/18/21/93/520182193.db2.gz FNLKNVSNXBQQAZ-LEWJYISDSA-N 0 0 437.496 3.753 40 10 IHCBRN CN1C(=O)/C(=C2\SC(=S)N(c3cccc(O)c3)C2=O)c2cc(Br)ccc21 ZINC000012274864 523674542 /nfs/dbraw/zinc/67/45/42/523674542.db2.gz SQVLHTCDRNCHKI-PFONDFGASA-N 0 0 447.335 3.907 40 10 IHCBRN COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1OC ZINC000041078522 524676454 /nfs/dbraw/zinc/67/64/54/524676454.db2.gz JZTRMUSGGNDVBF-VUPMGEPRSA-N 0 0 449.463 3.612 40 10 IHCBRN Cc1cccc(OCCn2cccc2/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1 ZINC000041085105 524751278 /nfs/dbraw/zinc/75/12/78/524751278.db2.gz KSMKCCFELBHKLI-VBOUZPDUSA-N 0 0 448.552 3.548 40 10 IHCBRN C[C@@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000022326611 525100207 /nfs/dbraw/zinc/10/02/07/525100207.db2.gz RPFKXUZKTUVFRE-RTBURBONSA-N 0 0 429.586 3.566 40 10 IHCBRN Cc1ccccc1OCCn1cccc1/C=C1/C(=N)N2N=C(N3CCCC3)SC2=NC1=O ZINC000041085103 525305378 /nfs/dbraw/zinc/30/53/78/525305378.db2.gz XYTUBHXHESZCJO-HCAHLIKDSA-N 0 0 448.552 3.548 40 10 IHCBRN CCOC(=O)COc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1Br ZINC000034859437 555510364 /nfs/dbraw/zinc/51/03/64/555510364.db2.gz NALHMEFHCYGQNJ-JYRVWZFOSA-N 0 0 430.345 3.612 40 10 IHCBRN CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000408577899 555929286 /nfs/dbraw/zinc/92/92/86/555929286.db2.gz VOAUXZOVVQOMNY-PDGQHHTCSA-N 0 0 434.583 3.696 40 10 IHCBRN COc1ccc(C=C2SC(=S)NC2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408725116 556152808 /nfs/dbraw/zinc/15/28/08/556152808.db2.gz JIRUVODKCINNKR-CHHVJCJISA-N 0 0 433.423 3.793 40 10 IHCBRN O=C1/C(=C2\SC(=S)N(c3cccc(O)c3)C2=O)SC(=S)N1c1cccc(O)c1 ZINC000008870050 556228941 /nfs/dbraw/zinc/22/89/41/556228941.db2.gz QBUPBLCRRINEQI-BUHFOSPRSA-N 0 0 446.556 3.739 40 10 IHCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)cc1 ZINC000013475760 556507931 /nfs/dbraw/zinc/50/79/31/556507931.db2.gz AWAWUILLUYUZGG-BHIFYINESA-N 0 0 443.499 3.818 40 10 IHCBRN COc1ccc(N2CCN(C(=O)CSc3nnc4c(C)cc5ccccc5n34)CC2)cc1 ZINC000001223210 556768463 /nfs/dbraw/zinc/76/84/63/556768463.db2.gz VHKRSABENHDENI-UHFFFAOYSA-N 0 0 447.564 3.640 40 10 IHCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 ZINC000408782342 556854794 /nfs/dbraw/zinc/85/47/94/556854794.db2.gz FXYBWYZXGWVCPN-HMAPJEAMSA-N 0 0 448.519 3.776 40 10 IHCBRN Cc1ccc(COc2ccc(Br)cc2C=C2C(=O)NC(=S)N(C)C2=O)cc1 ZINC000408908042 556886863 /nfs/dbraw/zinc/88/68/63/556886863.db2.gz ANHYWNLUDLVLLT-MHWRWJLKSA-N 0 0 445.338 3.593 40 10 IHCBRN CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408914003 556889386 /nfs/dbraw/zinc/88/93/86/556889386.db2.gz WXHHQBNCPKQCID-OQLLNIDSSA-N 0 0 430.913 3.574 40 10 IHCBRN CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408915094 556890036 /nfs/dbraw/zinc/89/00/36/556890036.db2.gz UPSBIVJYIWIBCZ-CXUHLZMHSA-N 0 0 444.940 3.883 40 10 IHCBRN COC(=O)COc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1 ZINC000409001143 556914284 /nfs/dbraw/zinc/91/42/84/556914284.db2.gz HGVXCPUHQVCVLC-AKGOGDBKSA-N 0 0 435.476 3.672 40 10 IHCBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409015200 556920772 /nfs/dbraw/zinc/92/07/72/556920772.db2.gz YWYXCJJUBJBXGQ-PGMHBOJBSA-N 0 0 444.491 3.514 40 10 IHCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409104397 556952862 /nfs/dbraw/zinc/95/28/62/556952862.db2.gz YWGAJZPKFFXRGC-GIJQJNRQSA-N 0 0 443.481 3.990 40 10 IHCBRN CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)OC ZINC000409198783 556995790 /nfs/dbraw/zinc/99/57/90/556995790.db2.gz KYOPFWPAJAZWDF-WOJGMQOQSA-N 0 0 446.550 3.593 40 10 IHCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)NCc2ccco2)C1=O ZINC000409214676 557009119 /nfs/dbraw/zinc/00/91/19/557009119.db2.gz ZRFQTOGNUQTFBZ-UNOMPAQXSA-N 0 0 425.510 3.541 40 10 IHCBRN CN1C(=O)C(=Cc2cn(CCCOc3ccccc3)c3ccccc23)C(=O)N(C)C1=S ZINC000006287811 557150756 /nfs/dbraw/zinc/15/07/56/557150756.db2.gz OAJOWFGJXDLDFL-UHFFFAOYSA-N 0 0 433.533 3.709 40 10 IHCBRN Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000010113190 557205532 /nfs/dbraw/zinc/20/55/32/557205532.db2.gz QSQPKVIZJOYSRX-HXUWFJFHSA-N 0 0 443.613 3.765 40 10 IHCBRN Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000010113189 557205571 /nfs/dbraw/zinc/20/55/71/557205571.db2.gz QSQPKVIZJOYSRX-FQEVSTJZSA-N 0 0 443.613 3.765 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000100323917 557257770 /nfs/dbraw/zinc/25/77/70/557257770.db2.gz CEOFLJUWINRSDL-HKBOAZHASA-N 0 0 429.472 3.510 40 10 IHCBRN CCC(C)(C)n1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000022928774 557271960 /nfs/dbraw/zinc/27/19/60/557271960.db2.gz BDFWWSJFTGVBBY-DEOSSOPVSA-N 0 0 447.631 3.791 40 10 IHCBRN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100931044 557278876 /nfs/dbraw/zinc/27/88/76/557278876.db2.gz QELFWBJMUQVTSL-CJLVFECKSA-N 0 0 438.553 3.888 40 10 IHCBRN CCc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000220284757 557290085 /nfs/dbraw/zinc/29/00/85/557290085.db2.gz QGIKIBQPFIQUDF-LJQANCHMSA-N 0 0 443.613 3.710 40 10 IHCBRN CC(NCCc1c[nH]cn1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000101664332 557294748 /nfs/dbraw/zinc/29/47/48/557294748.db2.gz BQFPVIRGCMWTSG-HKWRFOASSA-N 0 0 428.521 3.877 40 10 IHCBRN Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101113081 557332973 /nfs/dbraw/zinc/33/29/73/557332973.db2.gz PZFXJPIPYGYKDN-GXDHUFHOSA-N 0 0 448.220 3.918 40 10 IHCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccccc1O ZINC000033531837 557408128 /nfs/dbraw/zinc/40/81/28/557408128.db2.gz OXKLHEKKKZMXKL-GQZSXMDHSA-N 0 0 442.504 3.862 40 10 IHCBRN Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(O)cc1 ZINC000033582303 557413942 /nfs/dbraw/zinc/41/39/42/557413942.db2.gz KGELOFJKMVSBPH-QZEQKTIESA-N 0 0 442.504 3.862 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000101130344 557455507 /nfs/dbraw/zinc/45/55/07/557455507.db2.gz TYOWENJNRJXUCB-NJDAHSKKSA-N 0 0 441.414 3.521 40 10 IHCBRN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(C)cc12 ZINC000019647191 557505397 /nfs/dbraw/zinc/50/53/97/557505397.db2.gz SEKLMAZUGOVKOU-JLPGSUDCSA-N 0 0 448.498 3.987 40 10 IHCBRN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000224486453 557611495 /nfs/dbraw/zinc/61/14/95/557611495.db2.gz LADDBNMSDNZRGR-UHFFFAOYSA-N 0 0 437.565 3.816 40 10 IHCBRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225423074 557721592 /nfs/dbraw/zinc/72/15/92/557721592.db2.gz BQHPKTPDBDQLCD-GOSISDBHSA-N 0 0 429.586 3.664 40 10 IHCBRN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225423422 557721698 /nfs/dbraw/zinc/72/16/98/557721698.db2.gz WJDXPMODJWKTKX-QZTJIDSGSA-N 0 0 429.586 3.664 40 10 IHCBRN COc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225951300 557796286 /nfs/dbraw/zinc/79/62/86/557796286.db2.gz XTQDDQLJMKCACK-QGZVFWFLSA-N 0 0 440.617 3.808 40 10 IHCBRN N=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000041076276 557805881 /nfs/dbraw/zinc/80/58/81/557805881.db2.gz XVRMSRBMIXXDIT-VUMFNOJBSA-N 0 0 434.359 3.567 40 10 IHCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000059139605 557816983 /nfs/dbraw/zinc/81/69/83/557816983.db2.gz UWQUCDRWTOSOAL-UHFFFAOYSA-N 0 0 444.940 3.916 40 10 IHCBRN CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)C(=CNCc2ccccc2)SC1=S ZINC000256055347 568663363 /nfs/dbraw/zinc/66/33/63/568663363.db2.gz CQCOILIMNVAZMY-UFSZVFTQSA-N 0 0 426.563 3.652 40 10 IHCBRN CCCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@H]1c1ccc(N(C)C)cc1 ZINC000261366119 568733901 /nfs/dbraw/zinc/73/39/01/568733901.db2.gz XLRUNUJEUAUETL-QFIPXVFZSA-O 0 0 436.561 3.618 40 10 IHCBRN CCCCN1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cc(Br)ccc2O)C1=O ZINC000004166139 569212175 /nfs/dbraw/zinc/21/21/75/569212175.db2.gz OHZDMHXAYPJNCU-QRVBRYPASA-N 0 0 445.313 3.801 40 10 IHCBRN CNc1cc(CN(C)Cc2ccc(N3CCCC3)c(F)c2)nc([C@@H]2CCCN2C(C)=O)n1 ZINC000019759927 569237528 /nfs/dbraw/zinc/23/75/28/569237528.db2.gz SVBVRZHJMUTJTI-QFIPXVFZSA-N 0 0 440.567 3.573 40 10 IHCBRN COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)SC2=S)cc1 ZINC000033659552 569259653 /nfs/dbraw/zinc/25/96/53/569259653.db2.gz FEPORDJVNFORSG-DHDCSXOGSA-N 0 0 449.897 3.803 40 10 IHCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)c1C ZINC000108019550 569260630 /nfs/dbraw/zinc/26/06/30/569260630.db2.gz ONVZRFHCFSEFHV-STZFKDTASA-N 0 0 429.476 3.651 40 10 IHCBRN CCN1C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)SC1=S ZINC000002961233 569432803 /nfs/dbraw/zinc/43/28/03/569432803.db2.gz MYMUCCDSHLADFQ-PDGQHHTCSA-N 0 0 449.575 3.992 40 10 IHCBRN COc1ccc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1Br ZINC000041076778 569526556 /nfs/dbraw/zinc/52/65/56/569526556.db2.gz JJMMZIVMSJKRHH-MJJYTFKKSA-N 0 0 431.271 3.718 40 10 IHCBRN COc1ccc(N2CCN([C@@H](c3nnnn3Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000013504587 132348326 /nfs/dbraw/zinc/34/83/26/132348326.db2.gz AVPPAMCZJVYGQY-RUZDIDTESA-N 0 0 440.551 3.642 40 10 IHCBRN C[C@@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000022326579 525100286 /nfs/dbraw/zinc/10/02/86/525100286.db2.gz HVQIXMGISIXOAV-LJQANCHMSA-N 0 0 429.586 3.566 40 10 IHCBRN Cc1cc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)ccc1N1CCCC1=O ZINC000020457010 525410190 /nfs/dbraw/zinc/41/01/90/525410190.db2.gz GTVBJUFTDFHFDA-UHFFFAOYSA-N 0 0 427.570 3.591 40 10 IHCBRN Cc1c(C=C2C(=O)NC(=S)NC2=O)c2ccccc2n1CCOc1c(C)cccc1C ZINC000041077959 525689499 /nfs/dbraw/zinc/68/94/99/525689499.db2.gz SDCCMROVJNNKPI-UHFFFAOYSA-N 0 0 433.533 3.560 40 10 IHCBRN N=C1/C(=C/c2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN21 ZINC000041084732 526837670 /nfs/dbraw/zinc/83/76/70/526837670.db2.gz SGHLYSLWGIJPDJ-RAHJNROOSA-N 0 0 449.492 3.561 40 10 IHCBRN CCCN(CN1C(=O)C(=C(C)C)SC1=S)CN1C(=O)C(=C(C)C)SC1=S ZINC000408718354 556140778 /nfs/dbraw/zinc/14/07/78/556140778.db2.gz TZUZIVYXBJEVHO-UHFFFAOYSA-N 0 0 429.658 3.922 40 10 IHCBRN O=C(c1ccccc1I)N1C(=O)/C(=C\c2ccco2)SC1=S ZINC000408719771 556146157 /nfs/dbraw/zinc/14/61/57/556146157.db2.gz RHPPQGHEHMIFIX-XYOKQWHBSA-N 0 0 441.271 3.926 40 10 IHCBRN CN1C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N(C)C1=O ZINC000408741048 556213529 /nfs/dbraw/zinc/21/35/29/556213529.db2.gz NOIMRGBVFHZZNX-UHFFFAOYSA-N 0 0 447.260 3.601 40 10 IHCBRN O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 ZINC000008870220 556229719 /nfs/dbraw/zinc/22/97/19/556229719.db2.gz KCZCUSVYEOVJDY-DHDCSXOGSA-N 0 0 447.335 3.808 40 10 IHCBRN O=C(NN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=S)c1cccc([N+](=O)[O-])c1 ZINC000011565592 556341865 /nfs/dbraw/zinc/34/18/65/556341865.db2.gz AQSBKNPFHJKEME-RIYZIHGNSA-N 0 0 430.423 3.685 40 10 IHCBRN O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc2c(c1)NC(=O)CO2 ZINC000013561473 556517782 /nfs/dbraw/zinc/51/77/82/556517782.db2.gz DBICOBIIFBKYTF-UHFFFAOYSA-N 0 0 434.433 3.698 40 10 IHCBRN COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1Br ZINC000013676019 556554154 /nfs/dbraw/zinc/55/41/54/556554154.db2.gz VBDKHSGNBLCGMI-UHFFFAOYSA-N 0 0 425.348 3.536 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1Cl)[C@@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000100415601 556585484 /nfs/dbraw/zinc/58/54/84/556585484.db2.gz YBJZLDUSZIIPTM-HSALFYBXSA-N 0 0 449.890 3.773 40 10 IHCBRN COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000100982719 556634088 /nfs/dbraw/zinc/63/40/88/556634088.db2.gz UUBLHKKQSQBZJU-VXNXHJTFSA-N 0 0 443.503 3.812 40 10 IHCBRN COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4Cl)o3)CC2)cc1 ZINC000000882313 556733529 /nfs/dbraw/zinc/73/35/29/556733529.db2.gz ADSJTRLWABVADZ-UHFFFAOYSA-N 0 0 444.944 3.840 40 10 IHCBRN COc1cc2c(cc1OC)[C@@H](c1ccc(N(C)CCO)cc1)N[C@@H](c1cccnc1OC)C2 ZINC000019586144 556823183 /nfs/dbraw/zinc/82/31/83/556823183.db2.gz MHRLHFTWXONLIG-RCZVLFRGSA-N 0 0 449.551 3.512 40 10 IHCBRN CCCOc1ccc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(C)=C2C(=O)OC)cc1OCC ZINC000408790675 556856176 /nfs/dbraw/zinc/85/61/76/556856176.db2.gz XPQOPTJKPQXGMH-ZJYZBMPFSA-N 0 0 429.513 3.726 40 10 IHCBRN CCCOc1ccc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(C)=C2C(=O)OC)cc1OCC ZINC000408790670 556856230 /nfs/dbraw/zinc/85/62/30/556856230.db2.gz XPQOPTJKPQXGMH-UZNZLNSGSA-N 0 0 429.513 3.726 40 10 IHCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1Cc1ccccc1Br ZINC000408870995 556875045 /nfs/dbraw/zinc/87/50/45/556875045.db2.gz WPSCLMRXRFFUNW-UHFFFAOYSA-N 0 0 435.730 3.608 40 10 IHCBRN COC(=O)c1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)c(C)c1 ZINC000408903620 556886042 /nfs/dbraw/zinc/88/60/42/556886042.db2.gz UTFBEGUUOHSFQT-XKZIYDEJSA-N 0 0 443.528 3.959 40 10 IHCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)N(CC(=O)OC)C2=S)cc1 ZINC000409051550 556933151 /nfs/dbraw/zinc/93/31/51/556933151.db2.gz ARLGQKUZJPSMNP-JWGURIENSA-N 0 0 449.576 3.997 40 10 IHCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409055829 556939065 /nfs/dbraw/zinc/93/90/65/556939065.db2.gz JULQPTSFIULSAJ-UHFFFAOYSA-N 0 0 425.268 3.626 40 10 IHCBRN O=C1/C(=C/c2cc3c(cc2Br)OCO3)SC(=S)N1C[C@H]1CCCO1 ZINC000409093324 556949516 /nfs/dbraw/zinc/94/95/16/556949516.db2.gz YWIMFEXUOOJLGN-UVDMMCPBSA-N 0 0 428.329 3.558 40 10 IHCBRN COCCN1C(=O)/C(=C/c2cn(CC(=O)NC3CCCC3)c3ccccc23)SC1=S ZINC000409126791 556965642 /nfs/dbraw/zinc/96/56/42/556965642.db2.gz HSUTWVSHHFRPCV-UNOMPAQXSA-N 0 0 443.594 3.548 40 10 IHCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O ZINC000409147896 556973336 /nfs/dbraw/zinc/97/33/36/556973336.db2.gz WIWIMFBXONUZCD-VCHYOVAHSA-N 0 0 431.470 3.694 40 10 IHCBRN CCOc1cc(OCC)c(C[C@H]2SC(=S)N(CCOC)C2=O)cc1Br ZINC000409144329 556976045 /nfs/dbraw/zinc/97/60/45/556976045.db2.gz JPPUCFJDBMBOSR-OAHLLOKOSA-N 0 0 448.404 3.664 40 10 IHCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)SC1=S ZINC000409214478 557008894 /nfs/dbraw/zinc/00/88/94/557008894.db2.gz XSPUOUXYFFNPIB-YVLHZVERSA-N 0 0 444.490 3.548 40 10 IHCBRN O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 ZINC000409215773 557010764 /nfs/dbraw/zinc/01/07/64/557010764.db2.gz ATFIANNMPQBGKG-HKWRFOASSA-N 0 0 439.493 3.710 40 10 IHCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2)C1=O ZINC000409244964 557026993 /nfs/dbraw/zinc/02/69/93/557026993.db2.gz LICPJGREOROUBI-CJLVFECKSA-N 0 0 432.524 3.771 40 10 IHCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000409241869 557032016 /nfs/dbraw/zinc/03/20/16/557032016.db2.gz PAOBPUUKKZGUSI-GERLSISUSA-N 0 0 437.521 3.992 40 10 IHCBRN O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1F ZINC000409339631 557067632 /nfs/dbraw/zinc/06/76/32/557067632.db2.gz XHWKWPHGENASAO-LDADJPATSA-N 0 0 445.497 3.976 40 10 IHCBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O ZINC000409366925 557088190 /nfs/dbraw/zinc/08/81/90/557088190.db2.gz XNNLGNRPOIJSGR-PDICVPPASA-N 0 0 441.347 3.893 40 10 IHCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCSCc1[nH]cnc1C ZINC000103918661 557140318 /nfs/dbraw/zinc/14/03/18/557140318.db2.gz KKBOILBLMRGGBO-HKWRFOASSA-N 0 0 442.545 3.926 40 10 IHCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000106751663 557160543 /nfs/dbraw/zinc/16/05/43/557160543.db2.gz IIHYDOWBQHMEIE-ZDLGFXPLSA-N 0 0 443.481 3.990 40 10 IHCBRN CN(C)c1ccc([C@@H]2N[C@@H](c3ccc(N(C)C)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 ZINC000217354550 557168648 /nfs/dbraw/zinc/16/86/48/557168648.db2.gz AZYNBZDCAGSMDT-MYGLTJDJSA-N 0 0 441.532 3.521 40 10 IHCBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1F)c1ccc(F)cc1 ZINC000008810868 557173541 /nfs/dbraw/zinc/17/35/41/557173541.db2.gz VQGAVEZHOGRKSV-UHFFFAOYSA-N 0 0 432.404 3.747 40 10 IHCBRN C[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218342680 557193876 /nfs/dbraw/zinc/19/38/76/557193876.db2.gz VQJAUUOUBLNVQF-MSOLQXFVSA-N 0 0 429.586 3.810 40 10 IHCBRN CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)N2CCCc3ccccc32)S1(=O)=O ZINC000219195932 557231208 /nfs/dbraw/zinc/23/12/08/557231208.db2.gz GEGAAVDVFBIPOF-UHFFFAOYSA-N 0 0 442.537 3.584 40 10 IHCBRN C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2N1C(=O)c1ccccc1 ZINC000223267934 557453435 /nfs/dbraw/zinc/45/34/35/557453435.db2.gz DPGLFRYKPQYHAG-HNNXBMFYSA-N 0 0 436.489 3.808 40 10 IHCBRN Cc1cc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1N1CCCC1=O ZINC000260572657 557492575 /nfs/dbraw/zinc/49/25/75/557492575.db2.gz NHIHUIUAAOPIFV-SFHVURJKSA-N 0 0 441.597 3.837 40 10 IHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223619457 557492797 /nfs/dbraw/zinc/49/27/97/557492797.db2.gz SEPVHWADLXFPTF-ZEQRLZLVSA-N 0 0 449.624 3.910 40 10 IHCBRN COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 ZINC000223618448 557492804 /nfs/dbraw/zinc/49/28/04/557492804.db2.gz ACOSYRWPOSSWIU-GOTSBHOMSA-N 0 0 436.581 3.853 40 10 IHCBRN COc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)C1=O ZINC000004082651 557530396 /nfs/dbraw/zinc/53/03/96/557530396.db2.gz UUBLHKKQSQBZJU-SMIHKQSGSA-N 0 0 443.503 3.812 40 10 IHCBRN CC(C)(C)c1ccc(C(=O)C[C@H](C(=O)[O-])[NH+]2CCN(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000004117571 557531047 /nfs/dbraw/zinc/53/10/47/557531047.db2.gz XWKFONHKCVPDSY-HXUWFJFHSA-N 0 0 438.524 3.561 40 10 IHCBRN CCN(CCNC(=O)c1ccc(C)cc1I)c1ccc(OC)cc1 ZINC000225031339 557680184 /nfs/dbraw/zinc/68/01/84/557680184.db2.gz BSWURCOKJVXXCT-UHFFFAOYSA-N 0 0 438.309 3.865 40 10 IHCBRN CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000225181298 557696998 /nfs/dbraw/zinc/69/69/98/557696998.db2.gz SSJXGORWFKXLCQ-NRFANRHFSA-N 0 0 435.565 3.533 40 10 IHCBRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225423468 557721686 /nfs/dbraw/zinc/72/16/86/557721686.db2.gz WJDXPMODJWKTKX-MSOLQXFVSA-N 0 0 429.586 3.664 40 10 IHCBRN Cc1cc(Sc2ncccn2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225956312 557796829 /nfs/dbraw/zinc/79/68/29/557796829.db2.gz OXGXFJOSPUWQIG-UHFFFAOYSA-N 0 0 437.598 3.813 40 10 IHCBRN CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)C(=CNc2ccc(OC)cc2)SC1=S ZINC000256055892 568663533 /nfs/dbraw/zinc/66/35/33/568663533.db2.gz YAGLPAXIXPWSFP-GXYBQNOFSA-N 0 0 442.562 3.983 40 10 IHCBRN COc1ccc(N(C)CCC(=O)N2CCC(c3cncc(Nc4ccccn4)n3)CC2)cc1 ZINC000257295607 568709103 /nfs/dbraw/zinc/70/91/03/568709103.db2.gz QZDDKBVZAZBYRO-UHFFFAOYSA-N 0 0 446.555 3.856 40 10 IHCBRN COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2cccn3nccc23)C1 ZINC000257324342 568721865 /nfs/dbraw/zinc/72/18/65/568721865.db2.gz WOFQRSVEMJKINP-FQEVSTJZSA-N 0 0 448.567 3.665 40 10 IHCBRN CCC[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000019848860 569330403 /nfs/dbraw/zinc/33/04/03/569330403.db2.gz HJHKXSHNECMLOX-IMIIHFCZSA-N 0 0 444.487 3.619 40 10 IHCBRN CN(C)c1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013503975 132347470 /nfs/dbraw/zinc/34/74/70/132347470.db2.gz GJUAYSTWJCMVSV-QFIPXVFZSA-N 0 0 437.567 3.545 40 10 IHCBRN CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(c2ccc(OC)cc2)CC1 ZINC000013504182 132347729 /nfs/dbraw/zinc/34/77/29/132347729.db2.gz UJHWHSBSCGFCGJ-JOCHJYFZSA-N 0 0 438.551 3.878 40 10 IHCBRN COc1ccc(N2CCN([C@@H](c3nnnn3CCC(C)C)c3ccc(F)cc3)CC2)cc1 ZINC000013505352 132348903 /nfs/dbraw/zinc/34/89/03/132348903.db2.gz HTDJVQAAVMIMDM-HSZRJFAPSA-N 0 0 438.551 3.779 40 10 IHCBRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccc(O)c(O)c2)[C@H](C(=O)OCC)C1=O ZINC000020675988 520181909 /nfs/dbraw/zinc/18/19/09/520181909.db2.gz FNLKNVSNXBQQAZ-SFTDATJTSA-N 0 0 437.496 3.753 40 10 IHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccccc1C ZINC000041078513 521960927 /nfs/dbraw/zinc/96/09/27/521960927.db2.gz SSWDXSWVXHETEL-ZEZPAJMMSA-N 0 0 433.464 3.912 40 10 IHCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C(C)C)c3ccccc3Cl)CC2)cc1 ZINC000035290636 524431638 /nfs/dbraw/zinc/43/16/38/524431638.db2.gz FWHFMEYJVSUGLV-OAQYLSRUSA-N 0 0 426.952 3.828 40 10 IHCBRN COc1ccc(N2CCN([C@H](c3nnnn3C(C)C)c3ccccc3Cl)CC2)cc1 ZINC000035290638 524434016 /nfs/dbraw/zinc/43/40/16/524434016.db2.gz FWHFMEYJVSUGLV-NRFANRHFSA-N 0 0 426.952 3.828 40 10 IHCBRN Cc1cccc(N(CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)S(C)(=O)=O)c1 ZINC000022327494 524523006 /nfs/dbraw/zinc/52/30/06/524523006.db2.gz PKLISIYYLNKPQQ-HXUWFJFHSA-N 0 0 443.613 3.875 40 10 IHCBRN Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)S(C)(=O)=O)c1 ZINC000022327499 524523831 /nfs/dbraw/zinc/52/38/31/524523831.db2.gz PKLISIYYLNKPQQ-FQEVSTJZSA-N 0 0 443.613 3.875 40 10 IHCBRN COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 ZINC000041078512 526234369 /nfs/dbraw/zinc/23/43/69/526234369.db2.gz AXVWKUXKAIOVLI-ZGKGBVRBSA-N 0 0 449.463 3.612 40 10 IHCBRN O=C1/C(=C2\SC(=S)N(c3ccc(O)cc3)C2=O)SC(=S)N1c1ccc(O)cc1 ZINC000008870051 556228998 /nfs/dbraw/zinc/22/89/98/556228998.db2.gz HJMBAEGQEJBHAM-BUHFOSPRSA-N 0 0 446.556 3.739 40 10 IHCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)c(OC)c3)SC2=S)cc1 ZINC000009188795 556251997 /nfs/dbraw/zinc/25/19/97/556251997.db2.gz ITUFIYSVKJVSFO-WQRHYEAKSA-N 0 0 428.535 3.528 40 10 IHCBRN Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)c1 ZINC000100524522 556540534 /nfs/dbraw/zinc/54/05/34/556540534.db2.gz XFERLAHJCNXKPM-BHIFYINESA-N 0 0 443.499 3.818 40 10 IHCBRN C[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260453232 556720149 /nfs/dbraw/zinc/72/01/49/556720149.db2.gz GQLDGAPIVRVBBJ-ROUUACIJSA-N 0 0 447.576 3.705 40 10 IHCBRN COc1cccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000095483642 556757283 /nfs/dbraw/zinc/75/72/83/556757283.db2.gz LXPXVPZNTKCSBO-GIWBLDEGSA-N 0 0 430.460 3.760 40 10 IHCBRN CC(=O)Oc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1 ZINC000408918263 556891218 /nfs/dbraw/zinc/89/12/18/556891218.db2.gz IGZFKWQUYZIWKC-XKZIYDEJSA-N 0 0 429.501 3.790 40 10 IHCBRN COCCN1C(=O)/C(=C/c2cc(Br)cs2)C(=O)N(c2ccccc2)C1=O ZINC000409017093 556921696 /nfs/dbraw/zinc/92/16/96/556921696.db2.gz VBTKPODUCAPCNE-GDNBJRDFSA-N 0 0 435.299 3.536 40 10 IHCBRN COc1ccc(N(C)CCC(=O)N2CCC[C@H](c3ccc(Nc4ncccn4)cn3)C2)cc1 ZINC000072353482 556927172 /nfs/dbraw/zinc/92/71/72/556927172.db2.gz SKDGRELNXDTYDX-IBGZPJMESA-N 0 0 446.555 3.856 40 10 IHCBRN CCOC(=O)COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Cl ZINC000409089642 556951273 /nfs/dbraw/zinc/95/12/73/556951273.db2.gz NHYPNQFVERLSKO-LWLPBDFMSA-N 0 0 441.958 3.662 40 10 IHCBRN COCCN1C(=O)[C@H](Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)SC1=S ZINC000409145075 556976471 /nfs/dbraw/zinc/97/64/71/556976471.db2.gz MFYYLTOETJLGDF-IBGZPJMESA-N 0 0 435.542 3.831 40 10 IHCBRN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)SC2=S)cc1Cl ZINC000409216481 557011434 /nfs/dbraw/zinc/01/14/34/557011434.db2.gz LRVMGLSKAVFARO-PXNMLYILSA-N 0 0 434.926 3.619 40 10 IHCBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)c1 ZINC000409242767 557032599 /nfs/dbraw/zinc/03/25/99/557032599.db2.gz YFRCIDPCJLDRSL-HYARGMPZSA-N 0 0 429.476 3.974 40 10 IHCBRN Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)cc1 ZINC000101102015 557120742 /nfs/dbraw/zinc/12/07/42/557120742.db2.gz AWAWUILLUYUZGG-BHDDXSALSA-N 0 0 443.499 3.818 40 10 IHCBRN O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F ZINC000106698332 557156428 /nfs/dbraw/zinc/15/64/28/557156428.db2.gz NLAWMUCANODQGT-UNOMPAQXSA-N 0 0 443.456 3.807 40 10 IHCBRN C[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260511910 557167157 /nfs/dbraw/zinc/16/71/57/557167157.db2.gz SWUSQRDYICUQDV-ROUUACIJSA-N 0 0 429.586 3.810 40 10 IHCBRN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1C1CCCCC1 ZINC000107818480 557167874 /nfs/dbraw/zinc/16/78/74/557167874.db2.gz YDMDFMMVHXDPPB-QGOAFFKASA-N 0 0 433.555 3.965 40 10 IHCBRN C[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218335839 557193465 /nfs/dbraw/zinc/19/34/65/557193465.db2.gz GNVDLYQSKDTHIG-QZTJIDSGSA-N 0 0 429.586 3.810 40 10 IHCBRN C[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218335673 557193504 /nfs/dbraw/zinc/19/35/04/557193504.db2.gz UPVIRNBQYYEBRV-GOSISDBHSA-N 0 0 429.586 3.810 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]12 ZINC000169682885 557210275 /nfs/dbraw/zinc/21/02/75/557210275.db2.gz ROOZMGFMZVXKTF-NJYVYQBISA-N 0 0 441.414 3.521 40 10 IHCBRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000219012598 557223086 /nfs/dbraw/zinc/22/30/86/557223086.db2.gz MRDFZVRGOWGNSA-HXUWFJFHSA-N 0 0 443.613 3.729 40 10 IHCBRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000219012792 557223192 /nfs/dbraw/zinc/22/31/92/557223192.db2.gz NYVLPQAZSLBFKX-WOJBJXKFSA-N 0 0 443.613 3.729 40 10 IHCBRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000219168447 557229034 /nfs/dbraw/zinc/22/90/34/557229034.db2.gz AMPRGPQXWDUQIO-UHFFFAOYSA-N 0 0 429.586 3.540 40 10 IHCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)N21 ZINC000222681657 557373483 /nfs/dbraw/zinc/37/34/83/557373483.db2.gz LUSOUDBCKAUADL-ZLGUVYLKSA-N 0 0 439.541 3.806 40 10 IHCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)N21 ZINC000222681602 557373531 /nfs/dbraw/zinc/37/35/31/557373531.db2.gz LUSOUDBCKAUADL-MAODMQOUSA-N 0 0 439.541 3.806 40 10 IHCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000014406751 557443887 /nfs/dbraw/zinc/44/38/87/557443887.db2.gz ZETJBSSZWFQVKG-PDGQHHTCSA-N 0 0 439.464 3.598 40 10 IHCBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000016292824 557472270 /nfs/dbraw/zinc/47/22/70/557472270.db2.gz YGRSVIBUWOLDRY-FDFHNCONSA-N 0 0 437.451 3.690 40 10 IHCBRN COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 ZINC000223618352 557492710 /nfs/dbraw/zinc/49/27/10/557492710.db2.gz ACOSYRWPOSSWIU-PKTZIBPZSA-N 0 0 436.581 3.853 40 10 IHCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223660362 557498720 /nfs/dbraw/zinc/49/87/20/557498720.db2.gz WRUKNIPKCDOPLL-FCHUYYIVSA-N 0 0 449.580 3.728 40 10 IHCBRN Cc1cccc(N(CCCC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1C ZINC000224293049 557586468 /nfs/dbraw/zinc/58/64/68/557586468.db2.gz FEWPQNKGBQJQAI-UHFFFAOYSA-N 0 0 443.613 3.766 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000225286728 557709084 /nfs/dbraw/zinc/70/90/84/557709084.db2.gz YWZLNOPOMZKJTQ-IBGZPJMESA-N 0 0 431.602 3.621 40 10 IHCBRN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059514579 557827018 /nfs/dbraw/zinc/82/70/18/557827018.db2.gz XMFFCZWGARQFBN-MHWRWJLKSA-N 0 0 430.463 3.654 40 10 IHCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)N21 ZINC000260769385 557853733 /nfs/dbraw/zinc/85/37/33/557853733.db2.gz LUSOUDBCKAUADL-HBGVWJBISA-N 0 0 439.541 3.806 40 10 IHCBRN C[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000260770938 557854531 /nfs/dbraw/zinc/85/45/31/557854531.db2.gz VFQDVCZPAAHOHI-PWHSHALESA-N 0 0 443.613 3.733 40 10 IHCBRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)cc1 ZINC000022327993 569259237 /nfs/dbraw/zinc/25/92/37/569259237.db2.gz YDJUCTVNVFMXJP-VQTJNVASSA-N 0 0 443.613 3.875 40 10 IHCBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3OC)C2=O)o1 ZINC000033707799 569259612 /nfs/dbraw/zinc/25/96/12/569259612.db2.gz VEJPNSMHKYRCJI-YBFXNURJSA-N 0 0 442.493 3.912 40 10 IHCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)c2ccccc21 ZINC000207986763 569261289 /nfs/dbraw/zinc/26/12/89/569261289.db2.gz SEUJVOYLLUZFFO-KWJZBXMYSA-N 0 0 429.520 3.844 40 10 IHCBRN O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1=NCCS1 ZINC000002701087 569417496 /nfs/dbraw/zinc/41/74/96/569417496.db2.gz VAKMWNLQLWRJRO-ACCUITESSA-N 0 0 425.626 3.729 40 10 IHCBRN COc1cc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)ccc1O ZINC000009188216 132307779 /nfs/dbraw/zinc/30/77/79/132307779.db2.gz MZTYQEDPTSIBND-UNOMPAQXSA-N 0 0 429.929 3.847 40 10 IHCBRN CN(C)c1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000013503977 132347518 /nfs/dbraw/zinc/34/75/18/132347518.db2.gz VEHIUTCVAGQHID-QFIPXVFZSA-N 0 0 437.567 3.545 40 10 IHCBRN CN1C(=O)COc2ccc(C(=O)CSc3nnc(-c4ccco4)c(-c4ccco4)n3)cc21 ZINC000013568808 132350615 /nfs/dbraw/zinc/35/06/15/132350615.db2.gz LWKWEZDUVCNTQX-UHFFFAOYSA-N 0 0 448.460 3.722 40 10 IHCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)C2=N)S1 ZINC000041083896 521630785 /nfs/dbraw/zinc/63/07/85/521630785.db2.gz IQYXDTCCORMNKD-HBDSZSESSA-N 0 0 448.913 3.611 40 10 IHCBRN COc1cc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc(I)c1O ZINC000036617156 521955874 /nfs/dbraw/zinc/95/58/74/521955874.db2.gz BJXUEWCSJJEXNJ-WUXMJOGZSA-N 0 0 449.335 3.863 40 10 IHCBRN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCc1c[nH]c2ccccc12 ZINC000033558585 526476940 /nfs/dbraw/zinc/47/69/40/526476940.db2.gz YPZCYKOCDCNYIO-LDADJPATSA-N 0 0 425.535 3.711 40 10 IHCBRN COC(=O)COc1c(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cccc1OC ZINC000408535180 555752413 /nfs/dbraw/zinc/75/24/13/555752413.db2.gz VDFNMHZWRGBMAD-BOPFTXTBSA-N 0 0 445.518 3.661 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1O ZINC000013547138 556514117 /nfs/dbraw/zinc/51/41/17/556514117.db2.gz LRYZDNGWVXPQBF-BNDQCTAISA-N 0 0 430.345 3.544 40 10 IHCBRN COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1 ZINC000016692808 556627986 /nfs/dbraw/zinc/62/79/86/556627986.db2.gz MPVYGECJLRUQLC-MHWRWJLKSA-N 0 0 434.926 3.903 40 10 IHCBRN COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3Cc3cccs3)CC2)cc1 ZINC000057671614 556748458 /nfs/dbraw/zinc/74/84/58/556748458.db2.gz GDONDXBFZCUYRH-OAQYLSRUSA-N 0 0 426.590 3.701 40 10 IHCBRN Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccccc1N1CCOCC1 ZINC000001355563 556782552 /nfs/dbraw/zinc/78/25/52/556782552.db2.gz MLIMTXWCEUAIBR-UHFFFAOYSA-N 0 0 426.517 3.794 40 10 IHCBRN CNc1nc([C@@H]2CCCN2Cc2ccc(N3CCCC3)c(C)c2)nc2c1CCN(C(C)=O)C2 ZINC000019707456 556867241 /nfs/dbraw/zinc/86/72/41/556867241.db2.gz NYFSKGILRJIVNC-DEOSSOPVSA-N 0 0 448.615 3.669 40 10 IHCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 ZINC000408871988 556875330 /nfs/dbraw/zinc/87/53/30/556875330.db2.gz ITDXZBVDBLPGSI-BKUYFWCQSA-N 0 0 434.492 3.551 40 10 IHCBRN O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000408959847 556899745 /nfs/dbraw/zinc/89/97/45/556899745.db2.gz GVZXWSPALKUYKT-ZHZULCJRSA-N 0 0 438.915 3.862 40 10 IHCBRN COCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C(C(=O)OC)=C1C ZINC000409024888 556925714 /nfs/dbraw/zinc/92/57/14/556925714.db2.gz YSFNRFGNZTVEFY-ZHZULCJRSA-N 0 0 437.492 3.593 40 10 IHCBRN COc1cc(Br)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC ZINC000409078561 556948782 /nfs/dbraw/zinc/94/87/82/556948782.db2.gz IQMWQWYLGBZESY-URXIRXLPSA-N 0 0 444.372 3.847 40 10 IHCBRN O=C1S/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000409100135 556954911 /nfs/dbraw/zinc/95/49/11/556954911.db2.gz QATFFOSLSGCDEI-UYRXBGFRSA-N 0 0 425.466 3.668 40 10 IHCBRN O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NC1CC1 ZINC000409135838 556969421 /nfs/dbraw/zinc/96/94/21/556969421.db2.gz WDVVNOIESTUPJX-GRSHGNNSSA-N 0 0 437.546 3.914 40 10 IHCBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CCOC)C3=O)c2C)c1 ZINC000409141820 556972636 /nfs/dbraw/zinc/97/26/36/556972636.db2.gz WWCXSIJMGNEIME-CPNJWEJPSA-N 0 0 428.510 3.954 40 10 IHCBRN COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O ZINC000409208579 556997462 /nfs/dbraw/zinc/99/74/62/556997462.db2.gz CWPSPTFGFDMNRS-ZHZULCJRSA-N 0 0 437.521 3.970 40 10 IHCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(N)=O ZINC000409199619 556998774 /nfs/dbraw/zinc/99/87/74/556998774.db2.gz CDDUVRWJRLTNOH-YBFXNURJSA-N 0 0 442.562 3.972 40 10 IHCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409200101 556999569 /nfs/dbraw/zinc/99/95/69/556999569.db2.gz GTJULVAGTSEAAT-BKUYFWCQSA-N 0 0 432.455 3.721 40 10 IHCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)SC1=S ZINC000409203343 557002415 /nfs/dbraw/zinc/00/24/15/557002415.db2.gz XHFDYNUUGZGMBJ-ZDLGFXPLSA-N 0 0 447.509 3.788 40 10 IHCBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(N)=O ZINC000409216646 557011695 /nfs/dbraw/zinc/01/16/95/557011695.db2.gz NCENMSHVHOASIJ-WOJGMQOQSA-N 0 0 428.535 3.664 40 10 IHCBRN CC(=O)Oc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409329156 557063383 /nfs/dbraw/zinc/06/33/83/557063383.db2.gz DDFABCRLKALGMT-MHWRWJLKSA-N 0 0 432.910 3.812 40 10 IHCBRN NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409332413 557065873 /nfs/dbraw/zinc/06/58/73/557065873.db2.gz QNDMSCRYLALBEV-NVNXTCNLSA-N 0 0 438.452 3.975 40 10 IHCBRN CCOc1cc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)cc(OCC)c1OCC ZINC000020529066 557093972 /nfs/dbraw/zinc/09/39/72/557093972.db2.gz RBNZTWNUJLOWAI-UHFFFAOYSA-N 0 0 444.528 3.980 40 10 IHCBRN C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000010113615 557205760 /nfs/dbraw/zinc/20/57/60/557205760.db2.gz IFBFLSAHJPFDTN-KRWDZBQOSA-N 0 0 435.549 3.654 40 10 IHCBRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000219012706 557223065 /nfs/dbraw/zinc/22/30/65/557223065.db2.gz NYVLPQAZSLBFKX-UXHICEINSA-N 0 0 443.613 3.729 40 10 IHCBRN Cc1cccc(N(CCCC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000219620134 557259993 /nfs/dbraw/zinc/25/99/93/557259993.db2.gz LYJGLXBTBOKWHZ-UHFFFAOYSA-N 0 0 443.613 3.848 40 10 IHCBRN Cc1[nH]c(=S)n(NC(=S)Nc2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000100643928 557267129 /nfs/dbraw/zinc/26/71/29/557267129.db2.gz DMDXKVWVNFTMHX-JUUUUTHISA-N 0 0 441.498 3.537 40 10 IHCBRN COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000014269033 557428264 /nfs/dbraw/zinc/42/82/64/557428264.db2.gz RXIKNJVOCNEGFS-UHFFFAOYSA-N 0 0 442.541 3.564 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000223176673 557441761 /nfs/dbraw/zinc/44/17/61/557441761.db2.gz GOWHIGDPNKFLBJ-UHFFFAOYSA-N 0 0 439.581 3.768 40 10 IHCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000014414290 557445397 /nfs/dbraw/zinc/44/53/97/557445397.db2.gz XKTYAJZSGGTNPA-UYRXBGFRSA-N 0 0 437.492 3.894 40 10 IHCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000014414540 557445627 /nfs/dbraw/zinc/44/56/27/557445627.db2.gz VVEAJYKDYQUQEW-AQTBWJFISA-N 0 0 439.464 3.598 40 10 IHCBRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ccc5c(c4)OCO5)ccc32)cc1 ZINC000223376504 557464786 /nfs/dbraw/zinc/46/47/86/557464786.db2.gz SIXYDZLQBXAGKF-UHFFFAOYSA-N 0 0 436.489 3.727 40 10 IHCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223660303 557498715 /nfs/dbraw/zinc/49/87/15/557498715.db2.gz WRUKNIPKCDOPLL-YADHBBJMSA-N 0 0 449.580 3.728 40 10 IHCBRN COc1ccc(N2CCN([C@H](c3nnnn3C3CCCC3)c3ccccc3OC)CC2)cc1 ZINC000019556513 557500611 /nfs/dbraw/zinc/50/06/11/557500611.db2.gz FJAKLMISLRNGKE-DEOSSOPVSA-N 0 0 448.571 3.717 40 10 IHCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223695348 557503061 /nfs/dbraw/zinc/50/30/61/557503061.db2.gz YIYYHSIZDCECNF-GOTSBHOMSA-N 0 0 449.580 3.728 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000224128359 557564650 /nfs/dbraw/zinc/56/46/50/557564650.db2.gz XARIARDAQGODOU-UHFFFAOYSA-N 0 0 443.613 3.946 40 10 IHCBRN C[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(N2CCCC2)cc1 ZINC000224392210 557600911 /nfs/dbraw/zinc/60/09/11/557600911.db2.gz MABMXZINFLTHLP-SFHVURJKSA-N 0 0 427.570 3.708 40 10 IHCBRN CCc1ccc(N(CCCC(=O)NCc2ccc(N(CC)CC)cc2)S(C)(=O)=O)cc1 ZINC000224479189 557610773 /nfs/dbraw/zinc/61/07/73/557610773.db2.gz YWUHMGYMTNVNJJ-UHFFFAOYSA-N 0 0 445.629 3.958 40 10 IHCBRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)c1 ZINC000224487547 557611615 /nfs/dbraw/zinc/61/16/15/557611615.db2.gz ZETHQGPDRSYOHQ-UHFFFAOYSA-N 0 0 437.565 3.816 40 10 IHCBRN C[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000224895254 557664169 /nfs/dbraw/zinc/66/41/69/557664169.db2.gz JLTMZLFREYTORH-WOJBJXKFSA-N 0 0 443.613 3.562 40 10 IHCBRN C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 ZINC000225570856 557744465 /nfs/dbraw/zinc/74/44/65/557744465.db2.gz PMLDCGDMYGAEKJ-IBGZPJMESA-N 0 0 441.597 3.637 40 10 IHCBRN CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000225847821 557784932 /nfs/dbraw/zinc/78/49/32/557784932.db2.gz VAZATRWXZLRAJY-QFIPXVFZSA-N 0 0 431.602 3.702 40 10 IHCBRN COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1OC(C)=O ZINC000058865800 557812269 /nfs/dbraw/zinc/81/22/69/557812269.db2.gz OBAZFVIMPZRAIF-UHFFFAOYSA-N 0 0 439.258 3.527 40 10 IHCBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000059139675 557816975 /nfs/dbraw/zinc/81/69/75/557816975.db2.gz PYYAQRLYCYPQRG-UHFFFAOYSA-N 0 0 446.370 3.764 40 10 IHCBRN COc1cc(N2CCOCC2)c(OC)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260769332 557853655 /nfs/dbraw/zinc/85/36/55/557853655.db2.gz LOGGNXOYPXWLDM-UJUVCNOISA-N 0 0 440.569 3.525 40 10 IHCBRN COc1ccc(N(C)CCC(=O)N2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)cc1 ZINC000257246875 568687039 /nfs/dbraw/zinc/68/70/39/568687039.db2.gz IWFIEEQWZZVSLV-QHCPKHFHSA-N 0 0 447.539 3.655 40 10 IHCBRN CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1)c1ccccc1 ZINC000257317470 568719010 /nfs/dbraw/zinc/71/90/10/568719010.db2.gz VJVULZWASAWSPV-NTKDMRAZSA-N 0 0 444.535 3.706 40 10 IHCBRN CCCCN1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N(c3ccccc3)O[C@@H]2C1=O ZINC000004166136 569212265 /nfs/dbraw/zinc/21/22/65/569212265.db2.gz OHZDMHXAYPJNCU-QYZOEREBSA-N 0 0 445.313 3.801 40 10 IHCBRN COc1ccc(N2CCN(C(=O)c3cc(Cl)c(OC)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000033727795 569259751 /nfs/dbraw/zinc/25/97/51/569259751.db2.gz GBUFPZVCZSFOKB-UHFFFAOYSA-N 0 0 440.283 3.881 40 10 IHCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccccc1F ZINC000205908294 569261099 /nfs/dbraw/zinc/26/10/99/569261099.db2.gz ZQHFEGRTKYZATN-XDHOZWIPSA-N 0 0 427.501 3.892 40 10 IHCBRN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c1O ZINC000017859185 569265730 /nfs/dbraw/zinc/26/57/30/569265730.db2.gz SYPBHEQVTDEXFB-URVUXULASA-N 0 0 434.423 3.591 40 10 IHCBRN Cc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1/C(=N)N2N=C(C(F)(F)F)SC2=NC1=O ZINC000041076275 569526403 /nfs/dbraw/zinc/52/64/03/569526403.db2.gz AISWFHSGACZQLE-KLMXXLHHSA-N 0 0 448.386 3.875 40 10 IHCBRN CCOc1cc(/C=C2\SC(N3CCN(c4ccc(OC)cc4)CC3)=NC2=O)ccc1O ZINC000009188211 132307748 /nfs/dbraw/zinc/30/77/48/132307748.db2.gz BCENGBBWHHNRAM-QNGOZBTKSA-N 0 0 439.537 3.592 40 10 IHCBRN COc1ccc(N2CCN([C@H](c3nnnn3C(C)C)c3ccc4ncccc4c3)CC2)cc1 ZINC000013150751 132345960 /nfs/dbraw/zinc/34/59/60/132345960.db2.gz ZRHISPODYFWSAG-DEOSSOPVSA-N 0 0 443.555 3.722 40 10 IHCBRN COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000013503885 132347457 /nfs/dbraw/zinc/34/74/57/132347457.db2.gz MBAXDTNIHKWSRJ-DEOSSOPVSA-N 0 0 448.571 3.717 40 10 IHCBRN O=C(CSCc1ccccc1Br)NCc1ccc(N2CCOCC2)cc1 ZINC000013649323 132352402 /nfs/dbraw/zinc/35/24/02/132352402.db2.gz IGEKDUAFJZAGAB-UHFFFAOYSA-N 0 0 435.387 3.835 40 10 IHCBRN C[C@@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000022363373 525100250 /nfs/dbraw/zinc/10/02/50/525100250.db2.gz MUJIVKGDYVXMGV-GOSISDBHSA-N 0 0 447.576 3.705 40 10 IHCBRN Cc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1 ZINC000041085203 526084067 /nfs/dbraw/zinc/08/40/67/526084067.db2.gz HKNCYYNAXRUAEG-QAPXJYDZSA-N 0 0 436.516 3.906 40 10 IHCBRN CCOc1c(Br)cc(/C=C2\SC(NC(C)=O)=NC2=O)cc1Br ZINC000034689859 555506938 /nfs/dbraw/zinc/50/69/38/555506938.db2.gz QRSKWWMDHJRLOR-WDZFZDKYSA-N 0 0 448.136 3.717 40 10 IHCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000001180755 555671662 /nfs/dbraw/zinc/67/16/62/555671662.db2.gz NPVGCQCYBCAXJL-VCHYOVAHSA-N 0 0 426.519 3.954 40 10 IHCBRN Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Br)cc3Cl)C2=O)c1 ZINC000408527288 555717185 /nfs/dbraw/zinc/71/71/85/555717185.db2.gz DFQBJZJZCOWPSP-UKTHLTGXSA-N 0 0 434.677 3.990 40 10 IHCBRN O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1CCOCC1 ZINC000008820176 556220154 /nfs/dbraw/zinc/22/01/54/556220154.db2.gz PFXPYPQDUMNTIS-VKAVYKQESA-N 0 0 439.002 3.960 40 10 IHCBRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 ZINC000019818230 556920712 /nfs/dbraw/zinc/92/07/12/556920712.db2.gz HEDGLHKHMYAIGR-SFTDATJTSA-N 0 0 437.496 3.609 40 10 IHCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409100157 556955243 /nfs/dbraw/zinc/95/52/43/556955243.db2.gz QERZAQUZLUMMBW-CIAFOILYSA-N 0 0 443.507 3.637 40 10 IHCBRN Cc1cc(/C=C2\NC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000409123710 556960232 /nfs/dbraw/zinc/96/02/32/556960232.db2.gz HOMUDIMTACASGB-PDGQHHTCSA-N 0 0 439.541 3.680 40 10 IHCBRN COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)SC1=S ZINC000409147665 556973353 /nfs/dbraw/zinc/97/33/53/556973353.db2.gz NEJDYGKBOPQJDO-UYRXBGFRSA-N 0 0 443.594 3.501 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(C)=O ZINC000409328786 557062815 /nfs/dbraw/zinc/06/28/15/557062815.db2.gz ATNHZODODMKCEN-LSCVHKIXSA-N 0 0 429.475 3.755 40 10 IHCBRN CCc1ccc(NC(=O)COc2ccc(C=C3SC(=S)NC3=O)cc2OC)cc1 ZINC000409328535 557062855 /nfs/dbraw/zinc/06/28/55/557062855.db2.gz XDYGHFVOJPLHGB-WOJGMQOQSA-N 0 0 428.535 3.764 40 10 IHCBRN COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)=O ZINC000409340294 557067879 /nfs/dbraw/zinc/06/78/79/557067879.db2.gz UGLVHXLDMXOCDW-RQZCQDPDSA-N 0 0 430.463 3.935 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409335899 557072460 /nfs/dbraw/zinc/07/24/60/557072460.db2.gz ZNZBDPKCBLQMHW-WQRHYEAKSA-N 0 0 428.535 3.852 40 10 IHCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(N)=O)SC2=S)cc1Cl ZINC000409351381 557079009 /nfs/dbraw/zinc/07/90/09/557079009.db2.gz ULKSENCOFSPBTE-LZYBPNLTSA-N 0 0 434.926 3.619 40 10 IHCBRN Cc1c(C=C2C(=O)NC(=S)NC2=O)c2ccccc2n1CCOc1ccc(C)cc1C ZINC000000640875 557123794 /nfs/dbraw/zinc/12/37/94/557123794.db2.gz GNBZGGYWSRGVBG-UHFFFAOYSA-N 0 0 433.533 3.560 40 10 IHCBRN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1O ZINC000102732759 557131692 /nfs/dbraw/zinc/13/16/92/557131692.db2.gz SYPBHEQVTDEXFB-RZUBCFFCSA-N 0 0 434.423 3.591 40 10 IHCBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000106707127 557158275 /nfs/dbraw/zinc/15/82/75/557158275.db2.gz WDNPGSIMGSYSOH-MOSHPQCFSA-N 0 0 439.493 3.976 40 10 IHCBRN O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCc1ccc(O)cc1 ZINC000033548514 557409957 /nfs/dbraw/zinc/40/99/57/557409957.db2.gz XNVRMNZDQNMSKN-GZTJUZNOSA-N 0 0 432.954 3.606 40 10 IHCBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccccc2)OC32C(=O)c3ccccc3C2=O)cc1 ZINC000016292828 557472252 /nfs/dbraw/zinc/47/22/52/557472252.db2.gz YGRSVIBUWOLDRY-FKBYEOEOSA-N 0 0 437.451 3.690 40 10 IHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223619362 557492768 /nfs/dbraw/zinc/49/27/68/557492768.db2.gz SEPVHWADLXFPTF-RPWUZVMVSA-N 0 0 449.624 3.910 40 10 IHCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223660242 557498676 /nfs/dbraw/zinc/49/86/76/557498676.db2.gz WRUKNIPKCDOPLL-VXKWHMMOSA-N 0 0 449.580 3.728 40 10 IHCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223695148 557503087 /nfs/dbraw/zinc/50/30/87/557503087.db2.gz BJUPHPHUSGCCLI-VXKWHMMOSA-N 0 0 449.580 3.728 40 10 IHCBRN COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl ZINC000223862534 557521845 /nfs/dbraw/zinc/52/18/45/557521845.db2.gz RPCKECCTIGTEPL-OAHLLOKOSA-N 0 0 436.961 3.841 40 10 IHCBRN C[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000225280799 557708397 /nfs/dbraw/zinc/70/83/97/557708397.db2.gz MOQKAJSBEHZQBR-FQEVSTJZSA-N 0 0 443.613 3.562 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)COc2ccc(I)cc2)cc1 ZINC000225528227 557736850 /nfs/dbraw/zinc/73/68/50/557736850.db2.gz ZCBCXJMHZIORKX-UHFFFAOYSA-N 0 0 438.309 3.833 40 10 IHCBRN COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(C)=C2C(=O)OC)cc1 ZINC000058903846 557815100 /nfs/dbraw/zinc/81/51/00/557815100.db2.gz MMNSSBJLDQBHBQ-UNOMPAQXSA-N 0 0 441.867 3.769 40 10 IHCBRN CN1C(=O)C(=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)N(C)C1=S ZINC000059139724 557816972 /nfs/dbraw/zinc/81/69/72/557816972.db2.gz PNIYKOOOGNXLHX-UHFFFAOYSA-N 0 0 439.718 3.961 40 10 IHCBRN C[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000260760982 557853487 /nfs/dbraw/zinc/85/34/87/557853487.db2.gz DDTKNOFOBALNFZ-CVDCTZTESA-N 0 0 443.613 3.733 40 10 IHCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1[N+](=O)[O-] ZINC000008951605 568877830 /nfs/dbraw/zinc/87/78/30/568877830.db2.gz QBZYHHVZZKLHLC-NPDFUIFFSA-N 0 0 425.491 3.991 40 10 IHCBRN CCN(CC)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1 ZINC000011859249 569217259 /nfs/dbraw/zinc/21/72/59/569217259.db2.gz WHMDNAXBUHFIIE-WAOWUJCRSA-N 0 0 435.446 3.637 40 10 IHCBRN CC[C@@H](C)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC000006350858 569259092 /nfs/dbraw/zinc/25/90/92/569259092.db2.gz QWTGQGINYVJNOO-QGZVFWFLSA-N 0 0 427.501 3.845 40 10 IHCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)c2ccccc21 ZINC000207986806 569261274 /nfs/dbraw/zinc/26/12/74/569261274.db2.gz SEUJVOYLLUZFFO-VZMFNRANSA-N 0 0 429.520 3.844 40 10 IHCBRN Cc1cccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 ZINC000009303152 569295295 /nfs/dbraw/zinc/29/52/95/569295295.db2.gz XELSQRYVFXHJRX-FSSWDIPSSA-N 0 0 437.451 3.690 40 10 IHCBRN O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 ZINC000009310452 132313295 /nfs/dbraw/zinc/31/32/95/132313295.db2.gz NENNALKWIMOBFG-CPNJWEJPSA-N 0 0 441.534 3.833 40 10 IHCBRN CCCCNC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000012223370 520610454 /nfs/dbraw/zinc/61/04/54/520610454.db2.gz FBZXFKSCYRIIOE-KAMYIIQDSA-N 0 0 427.389 3.957 40 10 IHCBRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000022327962 524894108 /nfs/dbraw/zinc/89/41/08/524894108.db2.gz RMLHGCZDNCEIFM-FQEVSTJZSA-N 0 0 443.613 3.875 40 10 IHCBRN COc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2)cc1 ZINC000041082695 524948938 /nfs/dbraw/zinc/94/89/38/524948938.db2.gz QNPRQCNDQRMMAX-PYYWQZPNSA-N 0 0 433.464 3.993 40 10 IHCBRN C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000022335674 525100401 /nfs/dbraw/zinc/10/04/01/525100401.db2.gz ZMZFNMQPGOABGP-GOSISDBHSA-N 0 0 447.576 3.705 40 10 IHCBRN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccccn1 ZINC000016676206 526706436 /nfs/dbraw/zinc/70/64/36/526706436.db2.gz XAIZQKVRRGJCGE-UKTHLTGXSA-N 0 0 434.340 3.684 40 10 IHCBRN COC(=O)COc1c(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cccc1OC ZINC000408531095 555729786 /nfs/dbraw/zinc/72/97/86/555729786.db2.gz LZTPFHMDTAYDMF-BOPFTXTBSA-N 0 0 429.519 3.961 40 10 IHCBRN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccccc1 ZINC000408555352 555888008 /nfs/dbraw/zinc/88/80/08/555888008.db2.gz AMDXTOAWKPMCRK-UHFFFAOYSA-N 0 0 440.477 3.867 40 10 IHCBRN CC[C@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S ZINC000008819398 556219212 /nfs/dbraw/zinc/21/92/12/556219212.db2.gz AIDLJHHBJFATEU-BRYHAGSVSA-N 0 0 434.583 3.696 40 10 IHCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(C)CC3)C2=O)cc1 ZINC000008819557 556219260 /nfs/dbraw/zinc/21/92/60/556219260.db2.gz MITNKNRQLFPIKS-JXAWBTAJSA-N 0 0 446.594 3.713 40 10 IHCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1 ZINC000008819563 556219336 /nfs/dbraw/zinc/21/93/36/556219336.db2.gz HAWOCNZZNBEHKI-LGMDPLHJSA-N 0 0 432.567 3.513 40 10 IHCBRN CCOC(=O)c1ccc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 ZINC000008870011 556228691 /nfs/dbraw/zinc/22/86/91/556228691.db2.gz UAPRAFZLHITNOJ-SFQUDFHCSA-N 0 0 426.519 3.947 40 10 IHCBRN O=C1C(=CNNc2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 ZINC000009056967 556243142 /nfs/dbraw/zinc/24/31/42/556243142.db2.gz CNGXQLJPLVRPSF-XFXZXTDPSA-N 0 0 448.386 3.970 40 10 IHCBRN CN(C)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC000010432939 556334099 /nfs/dbraw/zinc/33/40/99/556334099.db2.gz QNCNUTRMGOOXRE-UHFFFAOYSA-N 0 0 441.528 3.965 40 10 IHCBRN O=c1c2ccccc2c(=O)c2c1ccc1nc3c(ccc4c(=O)c5ccccc5c(=O)c43)nc12 ZINC000013465401 556342356 /nfs/dbraw/zinc/34/23/56/556342356.db2.gz PZCFOTZMPYKBDU-UHFFFAOYSA-N 0 0 440.414 3.712 40 10 IHCBRN C[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260455477 556720502 /nfs/dbraw/zinc/72/05/02/556720502.db2.gz VQJAUUOUBLNVQF-ROUUACIJSA-N 0 0 429.586 3.810 40 10 IHCBRN COC(=O)c1ccccc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C ZINC000408903592 556886061 /nfs/dbraw/zinc/88/60/61/556886061.db2.gz TYYNOZLVCMJVSH-BKUYFWCQSA-N 0 0 429.501 3.651 40 10 IHCBRN CN1C(=O)/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)NC1=S ZINC000408917344 556888878 /nfs/dbraw/zinc/88/88/78/556888878.db2.gz RMUNDSRGUPNTHY-XDHOZWIPSA-N 0 0 447.472 3.584 40 10 IHCBRN CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Br)c1O ZINC000408938073 556897219 /nfs/dbraw/zinc/89/72/19/556897219.db2.gz KIYYXBYSSXGWLC-OQLLNIDSSA-N 0 0 429.270 3.995 40 10 IHCBRN COc1ccc(N(C)CCC(=O)N2CCC[C@@H](c3ccc(Nc4ncccn4)cn3)C2)cc1 ZINC000072353483 556927098 /nfs/dbraw/zinc/92/70/98/556927098.db2.gz SKDGRELNXDTYDX-LJQANCHMSA-N 0 0 446.555 3.856 40 10 IHCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C1=O ZINC000409123223 556962164 /nfs/dbraw/zinc/96/21/64/556962164.db2.gz AQWHNIUXWARDSG-XDHOZWIPSA-N 0 0 428.510 3.872 40 10 IHCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(Br)cc1O ZINC000409135958 556969352 /nfs/dbraw/zinc/96/93/52/556969352.db2.gz VIYUWOQJAHWXLP-NVNXTCNLSA-N 0 0 433.283 3.564 40 10 IHCBRN COc1cc(Br)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OC ZINC000409142781 556975196 /nfs/dbraw/zinc/97/51/96/556975196.db2.gz BFWUVLWMBLWOMF-SXGWCWSVSA-N 0 0 447.310 3.867 40 10 IHCBRN CCOc1cc(C[C@@H]2SC(=S)N(CCOC)C2=O)cc(Br)c1OCC ZINC000409145913 556976951 /nfs/dbraw/zinc/97/69/51/556976951.db2.gz QRMZKWZMKXPIHO-AWEZNQCLSA-N 0 0 448.404 3.664 40 10 IHCBRN COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)[N-]C1=S ZINC000409171504 556983502 /nfs/dbraw/zinc/98/35/02/556983502.db2.gz CKPXGYXRHHRMKS-RGEXLXHISA-N 0 0 431.517 3.934 40 10 IHCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Cl)c1O ZINC000409178020 556986946 /nfs/dbraw/zinc/98/69/46/556986946.db2.gz IEIQULVHRNXKMR-GDNBJRDFSA-N 0 0 434.926 3.991 40 10 IHCBRN COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2C)C1=O ZINC000409241815 557031934 /nfs/dbraw/zinc/03/19/34/557031934.db2.gz YTDBJJOTYDPNPU-STZFKDTASA-N 0 0 448.523 3.525 40 10 IHCBRN CCCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(Br)c2)SC1=S ZINC000409326852 557061675 /nfs/dbraw/zinc/06/16/75/557061675.db2.gz FJEZFOAWLLRCRR-JYRVWZFOSA-N 0 0 430.345 3.612 40 10 IHCBRN CCCN1C(=O)/C(=C\c2cc(Cl)c(OCC(=O)OCC)c(OC)c2)SC1=S ZINC000409339042 557074067 /nfs/dbraw/zinc/07/40/67/557074067.db2.gz RFDOBZNFDFJQRT-NTEUORMPSA-N 0 0 429.947 3.902 40 10 IHCBRN CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000020528412 557078043 /nfs/dbraw/zinc/07/80/43/557078043.db2.gz DGTULVKDOQRJCP-ONNFQVAWSA-N 0 0 439.468 3.649 40 10 IHCBRN C[C@@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218287880 557188232 /nfs/dbraw/zinc/18/82/32/557188232.db2.gz YWCMSIHBFAIVBS-VAMGGRTRSA-N 0 0 443.613 3.955 40 10 IHCBRN COc1ccc2cc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)c(=O)[nH]c2c1 ZINC000102757693 557307590 /nfs/dbraw/zinc/30/75/90/557307590.db2.gz QXIASKLOQXHIEW-WSVATBPTSA-N 0 0 438.486 3.671 40 10 IHCBRN CCCOc1c(I)cc(C=C2SC(=S)NC2=O)cc1OC ZINC000013451066 557321632 /nfs/dbraw/zinc/32/16/32/557321632.db2.gz ZARNWJRLSOHYAU-XFFZJAGNSA-N 0 0 435.308 3.577 40 10 IHCBRN CN(c1ccc(Cl)c(C(=O)NCc2ccc(N3CCCCC3)cc2)c1)S(C)(=O)=O ZINC000222501375 557345163 /nfs/dbraw/zinc/34/51/63/557345163.db2.gz CFTFVGKUKBOVHY-UHFFFAOYSA-N 0 0 435.977 3.656 40 10 IHCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)N21 ZINC000222681528 557373457 /nfs/dbraw/zinc/37/34/57/557373457.db2.gz LUSOUDBCKAUADL-ORYQWCPZSA-N 0 0 439.541 3.806 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 ZINC000223412310 557468661 /nfs/dbraw/zinc/46/86/61/557468661.db2.gz OINBJUMJAQRMCB-UHFFFAOYSA-N 0 0 429.586 3.701 40 10 IHCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cc(Cl)ccc1O ZINC000223570300 557487357 /nfs/dbraw/zinc/48/73/57/557487357.db2.gz NEDLUXXRJSBOHB-SFTDATJTSA-N 0 0 442.972 3.813 40 10 IHCBRN COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1Cl ZINC000260572719 557492491 /nfs/dbraw/zinc/49/24/91/557492491.db2.gz RPCKECCTIGTEPL-HNNXBMFYSA-N 0 0 436.961 3.841 40 10 IHCBRN COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 ZINC000223618652 557492717 /nfs/dbraw/zinc/49/27/17/557492717.db2.gz VXPNSDULWMJNFS-GOTSBHOMSA-N 0 0 436.581 3.853 40 10 IHCBRN CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)ccc21 ZINC000225547186 557740035 /nfs/dbraw/zinc/74/00/35/557740035.db2.gz IKVGEXPKGZOBEC-GOSISDBHSA-N 0 0 441.597 3.701 40 10 IHCBRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 ZINC000225570829 557744441 /nfs/dbraw/zinc/74/44/41/557744441.db2.gz PMLDCGDMYGAEKJ-LJQANCHMSA-N 0 0 441.597 3.637 40 10 IHCBRN Cc1nc2cc([C@@H]3CCC[N@@H+]3Cc3ccccc3O)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257279004 568701732 /nfs/dbraw/zinc/70/17/32/568701732.db2.gz OENYVGVJYQODIH-QFIPXVFZSA-N 0 0 433.556 3.600 40 10 IHCBRN COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2cccn3nccc23)C1 ZINC000257324343 568721867 /nfs/dbraw/zinc/72/18/67/568721867.db2.gz WOFQRSVEMJKINP-HXUWFJFHSA-N 0 0 448.567 3.665 40 10 IHCBRN CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c(CN5CCOCC5)c4)OCC[C@@]31C2 ZINC000257327627 568723196 /nfs/dbraw/zinc/72/31/96/568723196.db2.gz XCCVSQDXVWUFRG-FKDXMPTGSA-N 0 0 442.600 3.633 40 10 IHCBRN CCCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1ccc(N(C)C)cc1 ZINC000261366118 568733845 /nfs/dbraw/zinc/73/38/45/568733845.db2.gz XLRUNUJEUAUETL-JOCHJYFZSA-O 0 0 436.561 3.618 40 10 IHCBRN O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2nccnc2c1 ZINC000054361070 568940791 /nfs/dbraw/zinc/94/07/91/568940791.db2.gz LBIZIPWRQVAYET-WJDWOHSUSA-N 0 0 426.548 3.921 40 10 IHCBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 ZINC000245241161 569205582 /nfs/dbraw/zinc/20/55/82/569205582.db2.gz YGRSVIBUWOLDRY-BDTNDASRSA-N 0 0 437.451 3.690 40 10 IHCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4cccc(OC)c4)c3C)C2=O)o1 ZINC000107960513 569251957 /nfs/dbraw/zinc/25/19/57/569251957.db2.gz OHWCZRWIKIKASM-JAIQZWGSSA-N 0 0 449.463 3.575 40 10 IHCBRN CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1OC ZINC000033656567 569259434 /nfs/dbraw/zinc/25/94/34/569259434.db2.gz CIQZONUUXKEGLU-LDADJPATSA-N 0 0 444.534 3.649 40 10 IHCBRN CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccc(F)cc2)c1 ZINC000107609715 569260514 /nfs/dbraw/zinc/26/05/14/569260514.db2.gz WKFFWYRKJZYSRO-HMAPJEAMSA-N 0 0 431.467 3.932 40 10 IHCBRN O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc(Br)o1 ZINC000008821887 132295006 /nfs/dbraw/zinc/29/50/06/132295006.db2.gz NYAPRGYNYFQRPC-RVDMUPIBSA-N 0 0 436.306 3.974 40 10 IHCBRN COc1ccc(N2CCN([C@H](c3nnnn3Cc3ccco3)c3ccc(C)cc3)CC2)cc1 ZINC000013505047 132348580 /nfs/dbraw/zinc/34/85/80/132348580.db2.gz JCUYAVDDOMKCFW-DEOSSOPVSA-N 0 0 444.539 3.543 40 10 IHCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1cccc(OC)c1 ZINC000041078432 520626800 /nfs/dbraw/zinc/62/68/00/520626800.db2.gz XFTIIGQRLIHGEG-CAPQHAMJSA-N 0 0 447.447 3.763 40 10 IHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCC(C)C ZINC000041078355 521957367 /nfs/dbraw/zinc/95/73/67/521957367.db2.gz WHPZWOPQWJBSGB-CHYZRWSFSA-N 0 0 434.290 3.943 40 10 IHCBRN CN(C)c1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2)cc1 ZINC000035290858 522248159 /nfs/dbraw/zinc/24/81/59/522248159.db2.gz KUXHARBPCXIEJQ-HXUWFJFHSA-N 0 0 437.569 3.907 40 10 IHCBRN Cc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)n1-c1ccccc1F ZINC000041085190 526084889 /nfs/dbraw/zinc/08/48/89/526084889.db2.gz NXQBYOCGMJFKDE-YZQMTWDLSA-N 0 0 436.516 3.906 40 10 IHCBRN COC(=O)COc1c(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cccc1OC ZINC000408535273 555741960 /nfs/dbraw/zinc/74/19/60/555741960.db2.gz VOKOHGUKMICEBU-BOPFTXTBSA-N 0 0 429.519 3.961 40 10 IHCBRN O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1 ZINC000008870219 556229354 /nfs/dbraw/zinc/22/93/54/556229354.db2.gz UUQUQELBJJXQDE-DHDCSXOGSA-N 0 0 447.335 3.808 40 10 IHCBRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OC ZINC000009188737 556251632 /nfs/dbraw/zinc/25/16/32/556251632.db2.gz GGBKOWWXBLUBRM-PDGQHHTCSA-N 0 0 428.535 3.949 40 10 IHCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000009264583 556270449 /nfs/dbraw/zinc/27/04/49/556270449.db2.gz WUESEWPZBFOPKB-LPYMAVHISA-N 0 0 444.491 3.640 40 10 IHCBRN COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000039793978 556437817 /nfs/dbraw/zinc/43/78/17/556437817.db2.gz ACSMUHTVVXGPPH-ZDLGFXPLSA-N 0 0 428.535 3.818 40 10 IHCBRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000013668523 556549028 /nfs/dbraw/zinc/54/90/28/556549028.db2.gz HCHBQCCNKVCELH-UHFFFAOYSA-N 0 0 447.988 3.655 40 10 IHCBRN Cc1ccccc1N1C(=O)[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O ZINC000095470303 556757004 /nfs/dbraw/zinc/75/70/04/556757004.db2.gz GGLJFYXFKKPCRV-FSSWDIPSSA-N 0 0 437.451 3.690 40 10 IHCBRN COC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1 ZINC000000933451 556759309 /nfs/dbraw/zinc/75/93/09/556759309.db2.gz IRCYFLGNQKSDKH-UHFFFAOYSA-N 0 0 436.449 3.909 40 10 IHCBRN CCN1C(=O)/C(=C2/Sc3ccc(S(=O)(=O)C(F)(F)F)cc3N2C)SC1=S ZINC000006078559 556828670 /nfs/dbraw/zinc/82/86/70/556828670.db2.gz LBKOKQPFABHBRZ-BENRWUELSA-N 0 0 440.515 3.571 40 10 IHCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408874940 556874389 /nfs/dbraw/zinc/87/43/89/556874389.db2.gz FNCCMJISGZPAOW-UHFFFAOYSA-N 0 0 430.913 3.540 40 10 IHCBRN Cc1ccc(COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)cc1C ZINC000408870005 556874771 /nfs/dbraw/zinc/87/47/71/556874771.db2.gz UUDNDZNBLHEJEN-UHFFFAOYSA-N 0 0 445.338 3.559 40 10 IHCBRN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971904 556903018 /nfs/dbraw/zinc/90/30/18/556903018.db2.gz LRAKZJQPTDVBCB-LGMDPLHJSA-N 0 0 446.385 3.780 40 10 IHCBRN COCCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)C(=O)N(c2ccccc2)C1=O ZINC000409010664 556917909 /nfs/dbraw/zinc/91/79/09/556917909.db2.gz CVWGQQXJWDKLEE-CYVLTUHYSA-N 0 0 438.480 3.508 40 10 IHCBRN COCCN1C(=O)/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N(c2ccccc2)C1=O ZINC000409013051 556918902 /nfs/dbraw/zinc/91/89/02/556918902.db2.gz SKDXQKLTJWYMSI-PGMHBOJBSA-N 0 0 433.439 3.642 40 10 IHCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1Br ZINC000409069967 556944522 /nfs/dbraw/zinc/94/45/22/556944522.db2.gz YWXKCFNCKIUNCE-HGLKBHAMSA-N 0 0 441.347 3.893 40 10 IHCBRN COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O ZINC000409240449 557021610 /nfs/dbraw/zinc/02/16/10/557021610.db2.gz PSSWFCYDYQZCDV-STZFKDTASA-N 0 0 448.523 3.525 40 10 IHCBRN CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(N=Nc4ccc(C)cc4)cc3)C(=O)[C@H]12 ZINC000409288146 557051442 /nfs/dbraw/zinc/05/14/42/557051442.db2.gz DFFXCRSDAKDQRZ-GVGHZDOWSA-N 0 0 431.448 3.787 40 10 IHCBRN O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409341701 557069278 /nfs/dbraw/zinc/06/92/78/557069278.db2.gz GEVCNVGMMXQCEG-PJQLUOCWSA-N 0 0 431.407 3.638 40 10 IHCBRN O=C1S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 ZINC000106689714 557157636 /nfs/dbraw/zinc/15/76/36/557157636.db2.gz YBKZXSUKGAZAMG-UNOMPAQXSA-N 0 0 443.456 3.807 40 10 IHCBRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000010113650 557206142 /nfs/dbraw/zinc/20/61/42/557206142.db2.gz GQJSJIDVQYCHHS-UHFFFAOYSA-N 0 0 447.988 3.655 40 10 IHCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1O ZINC000110422734 557210490 /nfs/dbraw/zinc/21/04/90/557210490.db2.gz RZCDUTVCFTXQTD-QGMBQPNBSA-N 0 0 444.578 3.850 40 10 IHCBRN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCc2cccnc2)cc1 ZINC000112291657 557238831 /nfs/dbraw/zinc/23/88/31/557238831.db2.gz SRDWEDIGYHCTRG-JWGURIENSA-N 0 0 443.463 3.813 40 10 IHCBRN CCN(c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1)S(=O)(=O)CC ZINC000222400799 557338248 /nfs/dbraw/zinc/33/82/48/557338248.db2.gz CLOVGKQZDHWNDA-UHFFFAOYSA-N 0 0 429.586 3.783 40 10 IHCBRN COC(=O)C=C1NN(c2ccc(OC)cc2)C([O-])=C1C(C)=[NH+]Cc1ccc(Cl)cc1 ZINC000017095637 557486498 /nfs/dbraw/zinc/48/64/98/557486498.db2.gz DEXBXVGMJLDYML-STZFKDTASA-N 0 0 427.888 3.678 40 10 IHCBRN COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)c1 ZINC000223618397 557492756 /nfs/dbraw/zinc/49/27/56/557492756.db2.gz ACOSYRWPOSSWIU-XZOQPEGZSA-N 0 0 436.581 3.853 40 10 IHCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223660554 557498735 /nfs/dbraw/zinc/49/87/35/557498735.db2.gz XDYNOFMLGYJCQN-PKTZIBPZSA-N 0 0 449.580 3.728 40 10 IHCBRN O=C1/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC(=S)N1c1cccc(F)c1 ZINC000051330814 557507498 /nfs/dbraw/zinc/50/74/98/557507498.db2.gz VENMWPDFRBKWJT-FMQZQXMHSA-N 0 0 426.450 3.802 40 10 IHCBRN CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)ccc21 ZINC000223868157 557523076 /nfs/dbraw/zinc/52/30/76/557523076.db2.gz XSVALLVIJIFSIN-GOSISDBHSA-N 0 0 441.597 3.701 40 10 IHCBRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCCCS4(=O)=O)cc3)cc2)C1 ZINC000224383623 557599716 /nfs/dbraw/zinc/59/97/16/557599716.db2.gz YVOPFDICGXHPBU-LJQANCHMSA-N 0 0 441.597 3.783 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000224773174 557650121 /nfs/dbraw/zinc/65/01/21/557650121.db2.gz DDPMSOUMWLJGTE-IBGZPJMESA-N 0 0 431.602 3.621 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000225415981 557720392 /nfs/dbraw/zinc/72/03/92/557720392.db2.gz PGQLPEUTTMZNJF-UHFFFAOYSA-N 0 0 429.586 3.556 40 10 IHCBRN CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000225610984 557751545 /nfs/dbraw/zinc/75/15/45/557751545.db2.gz GUGGWVIMYLCFQB-HXUWFJFHSA-N 0 0 435.565 3.533 40 10 IHCBRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000225720620 557768307 /nfs/dbraw/zinc/76/83/07/557768307.db2.gz NWHITHYCXPRVDB-UHFFFAOYSA-N 0 0 433.599 3.969 40 10 IHCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000059566379 557823955 /nfs/dbraw/zinc/82/39/55/557823955.db2.gz GOWJBXSMEDUNQP-ZDLGFXPLSA-N 0 0 439.464 3.598 40 10 IHCBRN COc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000260723331 557850784 /nfs/dbraw/zinc/85/07/84/557850784.db2.gz XTQDDQLJMKCACK-KRWDZBQOSA-N 0 0 440.617 3.808 40 10 IHCBRN CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1)c1ccccc1 ZINC000257317471 568718886 /nfs/dbraw/zinc/71/88/86/568718886.db2.gz VJVULZWASAWSPV-YADARESESA-N 0 0 444.535 3.706 40 10 IHCBRN COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000033675726 569259560 /nfs/dbraw/zinc/25/95/60/569259560.db2.gz AAAMSOYTMWVGGV-ZHZULCJRSA-N 0 0 443.569 3.734 40 10 IHCBRN CCOc1c(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cccc1OC ZINC000034889977 569260056 /nfs/dbraw/zinc/26/00/56/569260056.db2.gz LUHGSJGCBWHJEZ-SFQUDFHCSA-N 0 0 444.534 3.649 40 10 IHCBRN CCN1C(=O)/C(=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)C(C(=O)OC)=C1C ZINC000108974040 569260907 /nfs/dbraw/zinc/26/09/07/569260907.db2.gz KFQBFXSDKATYMN-WPGBELRESA-N 0 0 448.519 3.635 40 10 IHCBRN COc1ccc(N2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000108243111 569260986 /nfs/dbraw/zinc/26/09/86/569260986.db2.gz JTXCXRYMAPTYFW-UHFFFAOYSA-N 0 0 433.892 3.601 40 10 IHCBRN COc1cccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000017751959 569265214 /nfs/dbraw/zinc/26/52/14/569265214.db2.gz LXPXVPZNTKCSBO-FUDKSRODSA-N 0 0 430.460 3.760 40 10 IHCBRN Cc1ccc([N+](=O)[O-])cc1-n1cccc1/C=C1/C(=N)N2N=C(C(F)(F)F)SC2=NC1=O ZINC000041076277 569526407 /nfs/dbraw/zinc/52/64/07/569526407.db2.gz CNODLOQNJRYECR-XGRCKQMDSA-N 0 0 448.386 3.875 40 10 IHCBRN CN(C)c1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013503974 132347483 /nfs/dbraw/zinc/34/74/83/132347483.db2.gz GJUAYSTWJCMVSV-JOCHJYFZSA-N 0 0 437.567 3.545 40 10 IHCBRN CN(C)c1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000013503976 132347530 /nfs/dbraw/zinc/34/75/30/132347530.db2.gz VEHIUTCVAGQHID-JOCHJYFZSA-N 0 0 437.567 3.545 40 10 IHCBRN Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)cc1Cl ZINC000041077717 525742479 /nfs/dbraw/zinc/74/24/79/525742479.db2.gz ZGVYGVINVGNIDN-ULUISBJDSA-N 0 0 448.913 3.530 40 10 IHCBRN N=C1/C(=C/c2cccn2CCCOc2ccccc2)C(=O)N=C2SC(N3CCCC3)=NN21 ZINC000041085115 526837443 /nfs/dbraw/zinc/83/74/43/526837443.db2.gz YXYUVJIFVUZKOJ-GQZAOGGHSA-N 0 0 448.552 3.630 40 10 IHCBRN CCOC(=O)CCN(C[C@@H]1CC=CCC1)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000005393062 556049907 /nfs/dbraw/zinc/04/99/07/556049907.db2.gz BOIFMDVZDHWMDN-MRXNPFEDSA-N 0 0 449.503 3.989 40 10 IHCBRN CCOC(=O)CCN(C[C@H]1CC=CCC1)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000008672804 556198536 /nfs/dbraw/zinc/19/85/36/556198536.db2.gz BOIFMDVZDHWMDN-INIZCTEOSA-N 0 0 449.503 3.989 40 10 IHCBRN CCN(CCO)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000008820206 556220136 /nfs/dbraw/zinc/22/01/36/556220136.db2.gz OGIIQXCZSQJEOQ-VKAVYKQESA-N 0 0 441.018 3.942 40 10 IHCBRN CCCOc1c(Br)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OCC ZINC000032109980 556530369 /nfs/dbraw/zinc/53/03/69/556530369.db2.gz XYZORCGYPRLZTG-NTEUORMPSA-N 0 0 427.320 3.743 40 10 IHCBRN CN1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O ZINC000032124738 556533639 /nfs/dbraw/zinc/53/36/39/556533639.db2.gz VTSIPIWZZVBQCV-UHFFFAOYSA-N 0 0 431.857 3.833 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(F)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000100418515 556587049 /nfs/dbraw/zinc/58/70/49/556587049.db2.gz MUKPFLNQXJJISD-HKBOAZHASA-N 0 0 441.414 3.521 40 10 IHCBRN CCOC(=O)c1ccc(NC2=NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)S2)cc1 ZINC000000778741 556693173 /nfs/dbraw/zinc/69/31/73/556693173.db2.gz GXBNJOXMCPXKJA-HKWRFOASSA-N 0 0 437.521 3.782 40 10 IHCBRN CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)s1 ZINC000000924826 556752412 /nfs/dbraw/zinc/75/24/12/556752412.db2.gz KYSYHCBHLNCSEZ-OAHLLOKOSA-N 0 0 429.571 3.874 40 10 IHCBRN COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cc(C)cc(C)c4)o3)CC2)cc1 ZINC000000929479 556755322 /nfs/dbraw/zinc/75/53/22/556755322.db2.gz XDFWOROTYGFTEI-UHFFFAOYSA-N 0 0 438.553 3.803 40 10 IHCBRN Cc1cc(C)cc(Cc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)c1 ZINC000408874446 556875771 /nfs/dbraw/zinc/87/57/71/556875771.db2.gz BSLMIAKJSDSUTN-UHFFFAOYSA-N 0 0 429.339 3.571 40 10 IHCBRN Cc1cccc(COc2ccc(Br)cc2C=C2C(=O)NC(=S)N(C)C2=O)c1 ZINC000408917571 556888890 /nfs/dbraw/zinc/88/88/90/556888890.db2.gz XNSFUBFXCKAUBU-MHWRWJLKSA-N 0 0 445.338 3.593 40 10 IHCBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1 ZINC000408960284 556900141 /nfs/dbraw/zinc/90/01/41/556900141.db2.gz KRBDRWGZHIVHJT-ZHZULCJRSA-N 0 0 437.521 3.970 40 10 IHCBRN COC(=O)CSC1=N[C@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408994057 556912964 /nfs/dbraw/zinc/91/29/64/556912964.db2.gz YEQIOAVTQBBZHI-OAQYLSRUSA-N 0 0 438.553 3.572 40 10 IHCBRN CCN1C(=O)/C(=C\c2cccc(OC)c2OC)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409010381 556917912 /nfs/dbraw/zinc/91/79/12/556917912.db2.gz CKSJKWWNNZUPQD-FOWTUZBSSA-N 0 0 430.913 3.921 40 10 IHCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O ZINC000409070255 556944592 /nfs/dbraw/zinc/94/45/92/556944592.db2.gz LFKPEHYMGZCPMJ-NWRYFCBHSA-N 0 0 429.454 3.600 40 10 IHCBRN Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000409071973 556946005 /nfs/dbraw/zinc/94/60/05/556946005.db2.gz TWDPVXOKGKRBSY-MOSHPQCFSA-N 0 0 439.493 3.976 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OC ZINC000409080124 556947133 /nfs/dbraw/zinc/94/71/33/556947133.db2.gz LLWKZCOWNDPEFY-KSSSLANASA-N 0 0 444.372 3.847 40 10 IHCBRN COc1cc(OC)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Br ZINC000409078812 556948997 /nfs/dbraw/zinc/94/89/97/556948997.db2.gz JMFAFWINYWYOHS-URXIRXLPSA-N 0 0 444.372 3.847 40 10 IHCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O ZINC000409103830 556952542 /nfs/dbraw/zinc/95/25/42/556952542.db2.gz ZDXWJNQMMUSOMO-YRUBURHZSA-N 0 0 429.454 3.600 40 10 IHCBRN COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1O ZINC000409127596 556966100 /nfs/dbraw/zinc/96/61/00/556966100.db2.gz DKCZCLXNENHMND-ZROIWOOFSA-N 0 0 433.283 3.564 40 10 IHCBRN CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C1=O ZINC000409173074 556984283 /nfs/dbraw/zinc/98/42/83/556984283.db2.gz IPDOSYCZJRWDLB-CXUHLZMHSA-N 0 0 435.265 3.611 40 10 IHCBRN CCN(CC)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1 ZINC000006144495 557013175 /nfs/dbraw/zinc/01/31/75/557013175.db2.gz WHMDNAXBUHFIIE-OPYAIIAOSA-N 0 0 435.446 3.637 40 10 IHCBRN COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O ZINC000409240461 557021569 /nfs/dbraw/zinc/02/15/69/557021569.db2.gz PVOUGJCIUKHTMI-NDENLUEZSA-N 0 0 428.485 3.907 40 10 IHCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(OC)c1 ZINC000409338336 557073497 /nfs/dbraw/zinc/07/34/97/557073497.db2.gz IAFYUXRUBDATNW-CXUHLZMHSA-N 0 0 434.926 3.903 40 10 IHCBRN O=C(c1ccco1)c1coc2ccc([O-])c(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c12 ZINC000218078354 557176491 /nfs/dbraw/zinc/17/64/91/557176491.db2.gz RPYTXNJABMZOIK-JKSUJKDBSA-N 0 0 430.460 3.743 40 10 IHCBRN C[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000218342394 557193892 /nfs/dbraw/zinc/19/38/92/557193892.db2.gz MMAFDGVVFDSYRC-GOSISDBHSA-N 0 0 429.586 3.810 40 10 IHCBRN CCc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)c(Br)c1 ZINC000218865252 557218952 /nfs/dbraw/zinc/21/89/52/557218952.db2.gz FBIMGAQSNIXPJT-UHFFFAOYSA-N 0 0 433.346 3.543 40 10 IHCBRN O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000113830658 557306956 /nfs/dbraw/zinc/30/69/56/557306956.db2.gz AJVDRKKXFSHMKR-GIDUJCDVSA-N 0 0 431.407 3.638 40 10 IHCBRN Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=N[C@@H]2c1ccccc1O ZINC000104280030 557324043 /nfs/dbraw/zinc/32/40/43/557324043.db2.gz UBSLMWUFRAWLHW-QHCPKHFHSA-N 0 0 429.524 3.540 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 ZINC000222538055 557348550 /nfs/dbraw/zinc/34/85/50/557348550.db2.gz NNJJYEGSRSSTNL-UHFFFAOYSA-N 0 0 437.993 3.577 40 10 IHCBRN O=C(COc1ccc(Br)cc1C=C1SC(=S)NC1=O)Nc1ccccc1 ZINC000015056205 557457532 /nfs/dbraw/zinc/45/75/32/557457532.db2.gz SDDDHUSXIFRNQO-DHDCSXOGSA-N 0 0 449.351 3.955 40 10 IHCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1ccc(N(C)C)cc1 ZINC000223579792 557488406 /nfs/dbraw/zinc/48/84/06/557488406.db2.gz MVLSYIAXLLEQAD-DHIUTWEWSA-N 0 0 435.597 3.520 40 10 IHCBRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260577885 557494992 /nfs/dbraw/zinc/49/49/92/557494992.db2.gz NYVLPQAZSLBFKX-VQTJNVASSA-N 0 0 443.613 3.729 40 10 IHCBRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000223660096 557498732 /nfs/dbraw/zinc/49/87/32/557498732.db2.gz QWFDJUQWDQQLBC-XZOQPEGZSA-N 0 0 449.580 3.728 40 10 IHCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000223694948 557503034 /nfs/dbraw/zinc/50/30/34/557503034.db2.gz IMWDZKJAJOOVOU-GOTSBHOMSA-N 0 0 449.580 3.728 40 10 IHCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223695198 557503073 /nfs/dbraw/zinc/50/30/73/557503073.db2.gz BJUPHPHUSGCCLI-YADHBBJMSA-N 0 0 449.580 3.728 40 10 IHCBRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(N4CCCCS4(=O)=O)c3)cc2)C1 ZINC000224392075 557600944 /nfs/dbraw/zinc/60/09/44/557600944.db2.gz QJJACAQZWBFYAM-LJQANCHMSA-N 0 0 441.597 3.783 40 10 IHCBRN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000225570415 557744182 /nfs/dbraw/zinc/74/41/82/557744182.db2.gz VJUABGCDAJGGLE-LJQANCHMSA-N 0 0 441.597 3.952 40 10 IHCBRN CCN1C(=O)C(=Cc2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)C(=O)NC1=S ZINC000059182255 557817711 /nfs/dbraw/zinc/81/77/11/557817711.db2.gz YLVDMJGZBMPQPN-GYZOOYGHSA-N 0 0 438.553 3.529 40 10 IHCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(Br)ccc1OC ZINC000059435765 557820908 /nfs/dbraw/zinc/82/09/08/557820908.db2.gz RSCWMLCSEJGIQW-YBEGLDIGSA-N 0 0 432.270 3.924 40 10 IHCBRN CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c(CN5CCOCC5)c4)OCC[C@]13C2 ZINC000257327628 568723254 /nfs/dbraw/zinc/72/32/54/568723254.db2.gz XCCVSQDXVWUFRG-SYTWWSQSSA-N 0 0 442.600 3.633 40 10 IHCBRN CNc1cc(CN(C)Cc2ccc(N3CCCC3)c(F)c2)nc([C@H]2CCCN2C(C)=O)n1 ZINC000019759929 569237540 /nfs/dbraw/zinc/23/75/40/569237540.db2.gz SVBVRZHJMUTJTI-JOCHJYFZSA-N 0 0 440.567 3.573 40 10 IHCBRN CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2cccc(F)c2)c1 ZINC000033546393 569259286 /nfs/dbraw/zinc/25/92/86/569259286.db2.gz WNMIUJOIOBAXBV-HMAPJEAMSA-N 0 0 431.467 3.932 40 10 IHCBRN O=C(COc1ccc(C=C2SC(=S)NC2=O)cc1Br)Nc1ccccc1 ZINC000107664176 569260485 /nfs/dbraw/zinc/26/04/85/569260485.db2.gz CENYQJZXUOUMHC-DHDCSXOGSA-N 0 0 449.351 3.955 40 10 IHCBRN Cc1nn(-c2ccccc2)c(C)c1/C=C1/C(=N)N2N=C(c3cccnc3)SC2=NC1=O ZINC000041074339 569526333 /nfs/dbraw/zinc/52/63/33/569526333.db2.gz IQVPTFYLIDHUDT-OOEDSJJISA-N 0 0 427.493 3.552 40 10 IHCBRN COc1ccc(N2CCN([C@@H](c3nnnn3Cc3cccs3)c3ccccc3)CC2)cc1 ZINC000013505243 132348869 /nfs/dbraw/zinc/34/88/69/132348869.db2.gz UGBAYMJDLDCSHY-HSZRJFAPSA-N 0 0 446.580 3.703 40 10 IHCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccccc1 ZINC000041082508 520627235 /nfs/dbraw/zinc/62/72/35/520627235.db2.gz IUSRZFWIEYPCNK-ZWPOCWBHSA-N 0 0 433.464 3.993 40 10 IHCBRN CCN(CC)c1ccc([C@@H]2N(C(C)=O)[C@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020608665 520922078 /nfs/dbraw/zinc/92/20/78/520922078.db2.gz QVMGUASGLKUQHE-JPYJTQIMSA-N 0 0 429.586 3.781 40 10 IHCBRN CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=N)S1 ZINC000041083885 521631050 /nfs/dbraw/zinc/63/10/50/521631050.db2.gz PFHIHALMZJFDMZ-HJDDMPKESA-N 0 0 448.913 3.611 40 10 IHCBRN CCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCC(C)CC2)SC1=S ZINC000033437786 521698629 /nfs/dbraw/zinc/69/86/29/521698629.db2.gz OMCQTKYEZRNCKQ-DTQAZKPQSA-N 0 0 428.583 3.542 40 10 IHCBRN N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(N3CCCC3)=NN21 ZINC000041084914 526836280 /nfs/dbraw/zinc/83/62/80/526836280.db2.gz MNFRRMMZXLFWLV-WSYITQDSSA-N 0 0 436.453 3.527 40 10 IHCBRN COC(=O)COc1c(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cccc1OC ZINC000408526332 555715725 /nfs/dbraw/zinc/71/57/25/555715725.db2.gz AWCHIMGQWKCFTM-SXGWCWSVSA-N 0 0 433.482 3.792 40 10 IHCBRN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C ZINC000408534766 555754231 /nfs/dbraw/zinc/75/42/31/555754231.db2.gz RBTAWVWSZSBLJF-CYVLTUHYSA-N 0 0 444.539 3.504 40 10 IHCBRN Cn1c(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)nc2ccccc21 ZINC000008869981 556228696 /nfs/dbraw/zinc/22/86/96/556228696.db2.gz DGOQZLQJZMAIDL-XNTDXEJSSA-N 0 0 428.926 3.773 40 10 IHCBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)c(Br)c2)C1=O ZINC000409057489 556934803 /nfs/dbraw/zinc/93/48/03/556934803.db2.gz PFGUXAWFZHHDNO-XNTDXEJSSA-N 0 0 441.347 3.895 40 10 IHCBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000409089656 556951283 /nfs/dbraw/zinc/95/12/83/556951283.db2.gz ONAURJQQAGCNBG-CPNJWEJPSA-N 0 0 425.510 3.826 40 10 IHCBRN CCOC(=O)COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Cl ZINC000409089648 556951393 /nfs/dbraw/zinc/95/13/93/556951393.db2.gz NHYPNQFVERLSKO-WPBJZHHJSA-N 0 0 441.958 3.662 40 10 IHCBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)cc3F)C2=O)c1 ZINC000409104934 556954659 /nfs/dbraw/zinc/95/46/59/556954659.db2.gz LJEHDZNDJCYSSW-FYJGNVAPSA-N 0 0 436.487 3.656 40 10 IHCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1Cc1ccccc1 ZINC000409102971 556956593 /nfs/dbraw/zinc/95/65/93/556956593.db2.gz CAKZXSNPSYLZAT-OEAKJJBVSA-N 0 0 442.519 3.993 40 10 IHCBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCOC)C3=O)c2C)cc1 ZINC000409131902 556963412 /nfs/dbraw/zinc/96/34/12/556963412.db2.gz ZBLXXLIRFAZEMW-CPNJWEJPSA-N 0 0 428.510 3.954 40 10 IHCBRN O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21)NC1CC1 ZINC000409130027 556967288 /nfs/dbraw/zinc/96/72/88/556967288.db2.gz MZKVTIKCWSYKSA-JMIUGGIZSA-N 0 0 448.573 3.716 40 10 IHCBRN O=C(NC1=NC(=O)/C(=C/c2cc3c(cc2Br)OCO3)S1)c1ccccc1 ZINC000409133490 556968187 /nfs/dbraw/zinc/96/81/87/556968187.db2.gz UGZYEEKHJJIYCM-CHHVJCJISA-N 0 0 431.267 3.578 40 10 IHCBRN CCOC(=O)COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1Cl ZINC000409136666 556969909 /nfs/dbraw/zinc/96/99/09/556969909.db2.gz YELNQDWGEJAUBK-BOPFTXTBSA-N 0 0 444.896 3.682 40 10 IHCBRN CN1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S ZINC000409147498 556973293 /nfs/dbraw/zinc/97/32/93/556973293.db2.gz WWVPIAKUKXZQBF-PDGQHHTCSA-N 0 0 439.924 3.630 40 10 IHCBRN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1ccccc1F ZINC000409343588 557070917 /nfs/dbraw/zinc/07/09/17/557070917.db2.gz HWVARQFPHSGJJO-LDADJPATSA-N 0 0 445.497 3.976 40 10 IHCBRN O=C(NN1C(=O)/C(=C/c2coc3ccccc3c2=O)SC1=S)c1ccc(Cl)cc1 ZINC000409369514 557089095 /nfs/dbraw/zinc/08/90/95/557089095.db2.gz CFVDEIQPELIBFD-SXGWCWSVSA-N 0 0 442.905 3.993 40 10 IHCBRN CCN1c2cc(S(=O)(=O)C(F)(F)F)ccc2S/C1=C1\SC(=S)N(C)C1=O ZINC000100199799 557111601 /nfs/dbraw/zinc/11/16/01/557111601.db2.gz SFPUOIQTKKTXJQ-BENRWUELSA-N 0 0 440.515 3.571 40 10 IHCBRN COc1cccc([C@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c1O ZINC000102729694 557131773 /nfs/dbraw/zinc/13/17/73/557131773.db2.gz TWGRPKZELCYRLM-FUPPJEDESA-N 0 0 430.460 3.760 40 10 IHCBRN CN(C)c1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022928622 557271836 /nfs/dbraw/zinc/27/18/36/557271836.db2.gz SREUMNPXEXMSSB-RUZDIDTESA-N 0 0 445.615 3.761 40 10 IHCBRN C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCCCS4(=O)=O)cc3)cc2)C1 ZINC000260566873 557293568 /nfs/dbraw/zinc/29/35/68/557293568.db2.gz YVOPFDICGXHPBU-IBGZPJMESA-N 0 0 441.597 3.783 40 10 IHCBRN O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc2nonc21 ZINC000033545070 557410226 /nfs/dbraw/zinc/41/02/26/557410226.db2.gz FABMAHBEKASCDX-RIYZIHGNSA-N 0 0 430.898 3.716 40 10 IHCBRN CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)N1CCC(C)CC1 ZINC000026118585 557449437 /nfs/dbraw/zinc/44/94/37/557449437.db2.gz DANKXKBENBELOK-UHFFFAOYSA-N 0 0 448.566 3.810 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000101484846 557457027 /nfs/dbraw/zinc/45/70/27/557457027.db2.gz HBEGEVRYDQYKLS-NJDAHSKKSA-N 0 0 441.414 3.521 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 ZINC000223692666 557502830 /nfs/dbraw/zinc/50/28/30/557502830.db2.gz YGGMYJHUNCHOGK-UHFFFAOYSA-N 0 0 429.586 3.556 40 10 IHCBRN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCc1ccccc1Cl ZINC000019637168 557503232 /nfs/dbraw/zinc/50/32/32/557503232.db2.gz AKVMFRONKPBKJV-MOSHPQCFSA-N 0 0 442.859 3.578 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000224773122 557650174 /nfs/dbraw/zinc/65/01/74/557650174.db2.gz DDPMSOUMWLJGTE-LJQANCHMSA-N 0 0 431.602 3.621 40 10 IHCBRN C[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000225280769 557708405 /nfs/dbraw/zinc/70/84/05/557708405.db2.gz MOQKAJSBEHZQBR-HXUWFJFHSA-N 0 0 443.613 3.562 40 10 IHCBRN CCCn1c2ccc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)cc2sc1=O ZINC000225728082 557769562 /nfs/dbraw/zinc/76/95/62/557769562.db2.gz WSKKXWJZJAGPGL-UHFFFAOYSA-N 0 0 431.583 3.552 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(F)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000226451149 557807002 /nfs/dbraw/zinc/80/70/02/557807002.db2.gz MUKPFLNQXJJISD-NJDAHSKKSA-N 0 0 441.414 3.521 40 10 IHCBRN COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000058866041 557812346 /nfs/dbraw/zinc/81/23/46/557812346.db2.gz OKBYOFGMMCOMRO-UHFFFAOYSA-N 0 0 439.420 3.936 40 10 IHCBRN CN1C(=O)C(=Cc2ccccc2OCc2ccc(Br)cc2)C(=O)N(C)C1=S ZINC000059140015 557817182 /nfs/dbraw/zinc/81/71/82/557817182.db2.gz NKLHAGLHDYXBIH-UHFFFAOYSA-N 0 0 445.338 3.627 40 10 IHCBRN CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(=CNc2ccccc2OC)SC1=S ZINC000256055601 568663588 /nfs/dbraw/zinc/66/35/88/568663588.db2.gz MSEZNFJJIKQOMY-FJSNCCPHSA-N 0 0 442.562 3.983 40 10 IHCBRN COc1ccc(-c2cccc([C@@H]3CN(Cc4ccc(N(C)CCO)cc4)CCO3)n2)cc1 ZINC000257241253 568684398 /nfs/dbraw/zinc/68/43/98/568684398.db2.gz HXIGWXFNDBTHOC-SANMLTNESA-N 0 0 433.552 3.759 40 10 IHCBRN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000103067426 568900790 /nfs/dbraw/zinc/90/07/90/568900790.db2.gz JUPPABNEHAXHOT-DGXSCYLFSA-N 0 0 448.479 3.759 40 10 IHCBRN Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)c1 ZINC000036109044 569260162 /nfs/dbraw/zinc/26/01/62/569260162.db2.gz YRVAMXNQIMBNAX-PMACEKPBSA-N 0 0 443.613 3.875 40 10 IHCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000108099850 569260767 /nfs/dbraw/zinc/26/07/67/569260767.db2.gz AJEHPLXQLPSNLX-NSIKDUERSA-N 0 0 446.253 3.644 40 10 IHCBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)c1 ZINC000108990259 569260913 /nfs/dbraw/zinc/26/09/13/569260913.db2.gz XENOFEWZYQKKEK-MOSHPQCFSA-N 0 0 436.487 3.574 40 10 IHCBRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000205872245 569261062 /nfs/dbraw/zinc/26/10/62/569261062.db2.gz YQHUNZOMXQTYJI-XDHOZWIPSA-N 0 0 427.501 3.892 40 10 IHCBRN CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000011582496 569302676 /nfs/dbraw/zinc/30/26/76/569302676.db2.gz PFRSABFPMWBXNL-HJOGWXRNSA-N 0 0 427.504 3.799 40 10 IHCBRN N=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000041076310 569526384 /nfs/dbraw/zinc/52/63/84/569526384.db2.gz ROAPYHVOQRTWII-VUMFNOJBSA-N 0 0 434.359 3.567 40 10 IHCBRN COc1ccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000013504586 132348341 /nfs/dbraw/zinc/34/83/41/132348341.db2.gz AVPPAMCZJVYGQY-VWLOTQADSA-N 0 0 440.551 3.642 40 10 IHCBRN CC1CCN(C2=NN3C(=NC(=O)/C(=C\c4cccn4Cc4ccccc4)C3=N)S2)CC1 ZINC000041084606 520992865 /nfs/dbraw/zinc/99/28/65/520992865.db2.gz APLQAHKDNKACOA-FBIWUZAXSA-N 0 0 432.553 3.845 40 10 IHCBRN N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(N3CCOCC3)=NN21 ZINC000041084437 526836415 /nfs/dbraw/zinc/83/64/15/526836415.db2.gz WFGNYOQSDSOVRN-OTLVRQKTSA-N 0 0 441.900 3.509 40 10 IHCBRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccc(C)cc1 ZINC000408558476 555897780 /nfs/dbraw/zinc/89/77/80/555897780.db2.gz JETBKNGZWUQKAZ-UHFFFAOYSA-N 0 0 440.477 3.785 40 10 IHCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000408585746 555936173 /nfs/dbraw/zinc/93/61/73/555936173.db2.gz HXJTYOBOUFPEBZ-QINSGFPZSA-N 0 0 427.428 3.729 40 10 IHCBRN O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1O ZINC000004469659 555995758 /nfs/dbraw/zinc/99/57/58/555995758.db2.gz CRWXCEGHHBYREI-WOJGMQOQSA-N 0 0 442.518 3.741 40 10 IHCBRN O=C(CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000013546754 556513957 /nfs/dbraw/zinc/51/39/57/556513957.db2.gz BQJOJCMPXWVEDD-LDADJPATSA-N 0 0 442.878 3.611 40 10 IHCBRN CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)S1 ZINC000032111813 556530594 /nfs/dbraw/zinc/53/05/94/556530594.db2.gz BUPUQQVIQGUMIV-RQZCQDPDSA-N 0 0 431.857 3.934 40 10 IHCBRN CC(=O)Oc1ccc(N(C(C)=O)C2=NC(=O)/C(=C/c3ccccc3OC(C)=O)S2)cc1 ZINC000032594550 556541910 /nfs/dbraw/zinc/54/19/10/556541910.db2.gz HEJIRLTYACVHLY-NDENLUEZSA-N 0 0 438.461 3.561 40 10 IHCBRN CC(=O)Oc1c(Cl)c(N2CCCCC2)c(OC(C)=O)c2c1C(=O)c1ccccc1C2=O ZINC000066091779 556840075 /nfs/dbraw/zinc/84/00/75/556840075.db2.gz OZGUYNPPWRYIFG-UHFFFAOYSA-N 0 0 441.867 3.956 40 10 IHCBRN Cc1cc(C)cc(Cc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)c1 ZINC000408870525 556874708 /nfs/dbraw/zinc/87/47/08/556874708.db2.gz WGXRKNXMRWZVIH-UHFFFAOYSA-N 0 0 429.339 3.571 40 10 IHCBRN O=C1NC(=S)NC(=O)C1=Cc1ccc(Cc2ccccc2Br)c(Cl)c1 ZINC000408871702 556875014 /nfs/dbraw/zinc/87/50/14/556875014.db2.gz ZENTXFYTFWRFEE-UHFFFAOYSA-N 0 0 435.730 3.608 40 10 IHCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000408873008 556875572 /nfs/dbraw/zinc/87/55/72/556875572.db2.gz LTYYIRGVLVOTDC-STZFKDTASA-N 0 0 434.492 3.785 40 10 IHCBRN Cc1cc(C)cc(COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)c1 ZINC000408892561 556881485 /nfs/dbraw/zinc/88/14/85/556881485.db2.gz CNHUHPDPZIWGTM-UHFFFAOYSA-N 0 0 445.338 3.559 40 10 IHCBRN COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)c1C ZINC000408901744 556882791 /nfs/dbraw/zinc/88/27/91/556882791.db2.gz BNZCWLWHBKMDHU-XKZIYDEJSA-N 0 0 443.528 3.959 40 10 IHCBRN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)c1 ZINC000408902844 556885581 /nfs/dbraw/zinc/88/55/81/556885581.db2.gz MBYPBYSOCHKIRF-XKZIYDEJSA-N 0 0 443.528 3.959 40 10 IHCBRN Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000408962610 556901589 /nfs/dbraw/zinc/90/15/89/556901589.db2.gz ZTKFHNAKQDGIDQ-MOSHPQCFSA-N 0 0 438.915 3.780 40 10 IHCBRN COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000408970101 556904306 /nfs/dbraw/zinc/90/43/06/556904306.db2.gz ARTTWRDCWTZQBJ-UHFFFAOYSA-N 0 0 441.959 3.550 40 10 IHCBRN Cc1cccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000072340676 556912578 /nfs/dbraw/zinc/91/25/78/556912578.db2.gz BEGWUEFEJXJLMO-SANMLTNESA-N 0 0 434.559 3.999 40 10 IHCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409026440 556926182 /nfs/dbraw/zinc/92/61/82/556926182.db2.gz OXYWWWWIYLADCP-ODLFYWEKSA-N 0 0 441.465 3.679 40 10 IHCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000409058571 556935659 /nfs/dbraw/zinc/93/56/59/556935659.db2.gz YWIMWFCLGMTAJH-WQRHYEAKSA-N 0 0 439.464 3.598 40 10 IHCBRN COc1cc(Br)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC ZINC000409078558 556948881 /nfs/dbraw/zinc/94/88/81/556948881.db2.gz IQMWQWYLGBZESY-LYGDGENHSA-N 0 0 444.372 3.847 40 10 IHCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O ZINC000409100795 556955523 /nfs/dbraw/zinc/95/55/23/556955523.db2.gz WSFCLDGTBNNBHI-UZUMKDMXSA-N 0 0 427.526 3.758 40 10 IHCBRN CCOC(=O)CN1c2ccccc2/C(=C2\SC(=S)N(c3cccc(C)c3)C2=O)C1=O ZINC000020167681 556993955 /nfs/dbraw/zinc/99/39/55/556993955.db2.gz WOSBBCDQOIMWAA-VHEBQXMUSA-N 0 0 438.530 3.681 40 10 IHCBRN O=C(CN1C(=O)SC(=Cc2ccc(O)c(O)c2)C1=O)c1ccc(Br)cc1 ZINC000409224371 557017932 /nfs/dbraw/zinc/01/79/32/557017932.db2.gz JMPKXSDIQILECG-LZYBPNLTSA-N 0 0 434.267 3.780 40 10 IHCBRN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)=O ZINC000409333767 557066475 /nfs/dbraw/zinc/06/64/75/557066475.db2.gz VQTOIWOKWVKTQS-LICLKQGHSA-N 0 0 430.463 3.935 40 10 IHCBRN C[C@@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000218287630 557188193 /nfs/dbraw/zinc/18/81/93/557188193.db2.gz ZSNQXHCNDNDSPY-WOJBJXKFSA-N 0 0 443.613 3.955 40 10 IHCBRN C[C@H](C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000218287942 557188214 /nfs/dbraw/zinc/18/82/14/557188214.db2.gz YWCMSIHBFAIVBS-HSALFYBXSA-N 0 0 443.613 3.955 40 10 IHCBRN C[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218323152 557192838 /nfs/dbraw/zinc/19/28/38/557192838.db2.gz GQLDGAPIVRVBBJ-MSOLQXFVSA-N 0 0 447.576 3.705 40 10 IHCBRN O=C(COc1ccc(Br)cc1Cl)NCc1ccc(N2CCOCC2)cc1 ZINC000218945742 557221189 /nfs/dbraw/zinc/22/11/89/557221189.db2.gz MFSUIJBSSJQAPS-UHFFFAOYSA-N 0 0 439.737 3.634 40 10 IHCBRN CC[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000219113232 557226432 /nfs/dbraw/zinc/22/64/32/557226432.db2.gz CXDDCXAUVXCYTI-JOCHJYFZSA-N 0 0 447.576 3.677 40 10 IHCBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1cccs1 ZINC000101842288 557296006 /nfs/dbraw/zinc/29/60/06/557296006.db2.gz SWAWPWXWZNRITO-LDADJPATSA-N 0 0 426.523 3.687 40 10 IHCBRN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1ccccc1 ZINC000104818435 557328429 /nfs/dbraw/zinc/32/84/29/557328429.db2.gz FAUJXPYGPKHRCD-RCCKNPSSSA-N 0 0 434.521 3.668 40 10 IHCBRN COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3[C@H](C(C)=O)N21 ZINC000013569529 557347855 /nfs/dbraw/zinc/34/78/55/557347855.db2.gz LYWNPVXGAPZUCK-LRSLUSHPSA-N 0 0 436.895 3.636 40 10 IHCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000222557664 557351619 /nfs/dbraw/zinc/35/16/19/557351619.db2.gz QPATXMJYAYVYNI-UHFFFAOYSA-N 0 0 427.570 3.537 40 10 IHCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C3CCCC3)c3ccccc3OC)CC2)cc1 ZINC000019556516 557500624 /nfs/dbraw/zinc/50/06/24/557500624.db2.gz FJAKLMISLRNGKE-XMMPIXPASA-N 0 0 448.571 3.717 40 10 IHCBRN C[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(N2CCCC2)cc1 ZINC000224383711 557599895 /nfs/dbraw/zinc/59/98/95/557599895.db2.gz JPYBHYWPMLHWFQ-GOSISDBHSA-N 0 0 427.570 3.708 40 10 IHCBRN CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)cc1 ZINC000224488973 557611914 /nfs/dbraw/zinc/61/19/14/557611914.db2.gz XJEKZOSBVYBXGS-UHFFFAOYSA-N 0 0 441.528 3.647 40 10 IHCBRN CN(C)c1ccc(CN(C)C(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000224495720 557612829 /nfs/dbraw/zinc/61/28/29/557612829.db2.gz MOXZAOORJKYUBI-UHFFFAOYSA-N 0 0 443.594 3.911 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000224683664 557640239 /nfs/dbraw/zinc/64/02/39/557640239.db2.gz QHPOXDPUTMOXHE-UHFFFAOYSA-N 0 0 437.993 3.577 40 10 IHCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225681696 557762541 /nfs/dbraw/zinc/76/25/41/557762541.db2.gz LPRDYLAZVAGRFC-HZPDHXFCSA-N 0 0 445.610 3.876 40 10 IHCBRN CCn1c2ccc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)cc2sc1=O ZINC000225692575 557764597 /nfs/dbraw/zinc/76/45/97/557764597.db2.gz AUMMHQFGTWZDPN-UHFFFAOYSA-N 0 0 431.583 3.552 40 10 IHCBRN COc1cc(N2CCCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225951239 557796321 /nfs/dbraw/zinc/79/63/21/557796321.db2.gz YJCPBPALKGYAIV-UHFFFAOYSA-N 0 0 426.590 3.562 40 10 IHCBRN COc1ccc(C)c2c1N[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)[C@H]1CC=C[C@@H]21 ZINC000033633118 557809420 /nfs/dbraw/zinc/80/94/20/557809420.db2.gz JLCKFNZMEIYGKY-QTEQDKRBSA-N 0 0 440.565 3.851 40 10 IHCBRN CCN1C(=O)C(=Cc2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)C(=O)NC1=S ZINC000059182252 557817763 /nfs/dbraw/zinc/81/77/63/557817763.db2.gz YLVDMJGZBMPQPN-BRFSQIRFSA-N 0 0 438.553 3.529 40 10 IHCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000059959577 557828119 /nfs/dbraw/zinc/82/81/19/557828119.db2.gz PBNOZRBWBBTWIP-STZFKDTASA-N 0 0 440.540 3.595 40 10 IHCBRN CN1C(=O)C(=Cc2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C(=O)NC1=S ZINC000096477275 557838230 /nfs/dbraw/zinc/83/82/30/557838230.db2.gz KVJUYALAGOOLPL-LICLKQGHSA-N 0 0 436.468 3.516 40 10 IHCBRN C[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260841122 557860911 /nfs/dbraw/zinc/86/09/11/557860911.db2.gz JLTMZLFREYTORH-PMACEKPBSA-N 0 0 443.613 3.562 40 10 IHCBRN CN(C)c1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000015675740 560094818 /nfs/dbraw/zinc/09/48/18/560094818.db2.gz GHFLMNHHNOCSLV-NRFANRHFSA-N 0 0 445.483 3.734 40 10 biogenic,in-vitro IHCBRN Cc1ccccc1Cc1cccc([C@@H]2CN(Cc3ccc(N(C)CCO)cc3)CCO2)n1 ZINC000257294490 568708778 /nfs/dbraw/zinc/70/87/78/568708778.db2.gz QUKGGBQJEVKTKX-MHZLTWQESA-N 0 0 431.580 3.983 40 10 IHCBRN COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257299760 568711092 /nfs/dbraw/zinc/71/10/92/568711092.db2.gz RRMLUBSKQXLELY-HXUWFJFHSA-N 0 0 448.567 3.665 40 10 IHCBRN Cc1nnc(Nc2cccc([C@@H]3CN(Cc4ccc5c(c4)CCCN5C)CCO3)n2)s1 ZINC000257304239 568713294 /nfs/dbraw/zinc/71/32/94/568713294.db2.gz SKSIZPBCWDXTKC-NRFANRHFSA-N 0 0 436.585 3.941 40 10 IHCBRN CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1)c1ccccc1 ZINC000257317468 568718876 /nfs/dbraw/zinc/71/88/76/568718876.db2.gz VJVULZWASAWSPV-CYFREDJKSA-N 0 0 444.535 3.706 40 10 IHCBRN O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000103067433 568900869 /nfs/dbraw/zinc/90/08/69/568900869.db2.gz JUPPABNEHAXHOT-YYNYXNMOSA-N 0 0 448.479 3.759 40 10 IHCBRN C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000022335697 569259242 /nfs/dbraw/zinc/25/92/42/569259242.db2.gz RQFGJENRCZVHPB-ZWKOTPCHSA-N 0 0 447.576 3.705 40 10 IHCBRN Cc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1)S(C)(=O)=O ZINC000036109042 569260203 /nfs/dbraw/zinc/26/02/03/569260203.db2.gz GKXMMMDLSYELMJ-ICSRJNTNSA-N 0 0 443.613 3.875 40 10 IHCBRN COc1cccc([C@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c1O ZINC000017918799 569282003 /nfs/dbraw/zinc/28/20/03/569282003.db2.gz TWGRPKZELCYRLM-FUDKSRODSA-N 0 0 430.460 3.760 40 10 IHCBRN COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 ZINC000018056316 569284549 /nfs/dbraw/zinc/28/45/49/569284549.db2.gz SWLLMWRMWZRRET-YSFYHYPLSA-N 0 0 448.494 3.839 40 10 IHCBRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccc(O)c(O)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675991 520183385 /nfs/dbraw/zinc/18/33/85/520183385.db2.gz FNLKNVSNXBQQAZ-RTWAWAEBSA-N 0 0 437.496 3.753 40 10 IHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000041078519 521960549 /nfs/dbraw/zinc/96/05/49/521960549.db2.gz AGBIQTWJQSVPFE-GKJKXNJGSA-N 0 0 433.464 3.912 40 10 IHCBRN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCc1c[nH]c2ccc(F)cc12 ZINC000033539739 526476448 /nfs/dbraw/zinc/47/64/48/526476448.db2.gz GQACZFZKLFRLMN-WOJGMQOQSA-N 0 0 443.525 3.850 40 10 IHCBRN COC(=O)COc1c(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cccc1OC ZINC000408533987 555749339 /nfs/dbraw/zinc/74/93/39/555749339.db2.gz RVDAZASZEKZVTD-GZTJUZNOSA-N 0 0 429.519 3.961 40 10 IHCBRN O=C(COc1ccc(C2SCCS2)cc1)N1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000408567933 555911327 /nfs/dbraw/zinc/91/13/27/555911327.db2.gz GYTOLYYFDZFANK-UHFFFAOYSA-N 0 0 444.578 3.622 40 10 IHCBRN CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)SC1=S ZINC000408578188 555929504 /nfs/dbraw/zinc/92/95/04/555929504.db2.gz WPDNJODEMCICGW-UNOMPAQXSA-N 0 0 426.563 3.991 40 10 IHCBRN CC[C@@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S ZINC000008819397 556219184 /nfs/dbraw/zinc/21/91/84/556219184.db2.gz AIDLJHHBJFATEU-PWDRBQJJSA-N 0 0 434.583 3.696 40 10 IHCBRN COC(=O)c1ccc(-n2c(C)cc(/C=c3/sc4nc5ccccc5n4c3=O)c2C)cc1 ZINC000009263366 556270120 /nfs/dbraw/zinc/27/01/20/556270120.db2.gz ZOAJHSJHLLHMJB-FYJGNVAPSA-N 0 0 429.501 3.651 40 10 IHCBRN Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000013669325 556550106 /nfs/dbraw/zinc/55/01/06/556550106.db2.gz YPBBRZBMNQNDNU-HXUWFJFHSA-N 0 0 443.613 3.765 40 10 IHCBRN COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000100867891 556598060 /nfs/dbraw/zinc/59/80/60/556598060.db2.gz NQUPGJZOCGMEGD-HJOGWXRNSA-N 0 0 443.503 3.812 40 10 IHCBRN C[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260455478 556720467 /nfs/dbraw/zinc/72/04/67/556720467.db2.gz VQJAUUOUBLNVQF-ZWKOTPCHSA-N 0 0 429.586 3.810 40 10 IHCBRN COc1cc2c(cc1OC)[C@H](c1ccc(N(C)CCO)cc1)N[C@H](c1ncccc1C)C2 ZINC000019237834 556722859 /nfs/dbraw/zinc/72/28/59/556722859.db2.gz ZFTXBYFUQKFSJQ-NVQXNPDNSA-N 0 0 433.552 3.812 40 10 IHCBRN CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OC ZINC000408971973 556903068 /nfs/dbraw/zinc/90/30/68/556903068.db2.gz NABXHNZJLVOCPM-WJDWOHSUSA-N 0 0 448.397 3.986 40 10 IHCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O ZINC000409070262 556944585 /nfs/dbraw/zinc/94/45/85/556944585.db2.gz LFKPEHYMGZCPMJ-OMJMQIJPSA-N 0 0 429.454 3.600 40 10 IHCBRN COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2C)C1=O ZINC000409093539 556949538 /nfs/dbraw/zinc/94/95/38/556949538.db2.gz ACTVEYONOONTKS-MDWZMJQESA-N 0 0 446.912 3.506 40 10 IHCBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)c1 ZINC000409099559 556954647 /nfs/dbraw/zinc/95/46/47/556954647.db2.gz UDUCFZJABKYPBM-ZHZULCJRSA-N 0 0 437.521 3.507 40 10 IHCBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000409103132 556956664 /nfs/dbraw/zinc/95/66/64/556956664.db2.gz AXGPADDEJBATOB-ZHZULCJRSA-N 0 0 437.521 3.507 40 10 IHCBRN CCOC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 ZINC000409129988 556967349 /nfs/dbraw/zinc/96/73/49/556967349.db2.gz SWZWAJFCVIBKHB-PACYTGELSA-N 0 0 430.551 3.585 40 10 IHCBRN CCOc1cc(C[C@H]2SC(=S)N(CCOC)C2=O)cc(Br)c1OCC ZINC000409145917 556976932 /nfs/dbraw/zinc/97/69/32/556976932.db2.gz QRMZKWZMKXPIHO-CQSZACIVSA-N 0 0 448.404 3.664 40 10 IHCBRN Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccccc1 ZINC000409209436 557003083 /nfs/dbraw/zinc/00/30/83/557003083.db2.gz FLMYBFNIQVKCTJ-BKUYFWCQSA-N 0 0 432.455 3.765 40 10 IHCBRN CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3cc[nH+]cc3)c2C)C1=O ZINC000409229439 557015817 /nfs/dbraw/zinc/01/58/17/557015817.db2.gz OZHBKKJHHBWISD-XMHGGMMESA-N 0 0 430.464 3.554 40 10 IHCBRN CCCN1C(=O)/C(=C/c2cc(I)c(OC)c(OC)c2)SC1=S ZINC000409338074 557073159 /nfs/dbraw/zinc/07/31/59/557073159.db2.gz CMXXCDPQNXVNPC-WQLSENKSSA-N 0 0 449.335 3.920 40 10 IHCBRN COc1cccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000102728793 557131683 /nfs/dbraw/zinc/13/16/83/557131683.db2.gz LXPXVPZNTKCSBO-QNWVGRARSA-N 0 0 430.460 3.760 40 10 IHCBRN Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)c1 ZINC000218231094 557183437 /nfs/dbraw/zinc/18/34/37/557183437.db2.gz YRVAMXNQIMBNAX-UXHICEINSA-N 0 0 443.613 3.875 40 10 IHCBRN Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1C ZINC000010113187 557205617 /nfs/dbraw/zinc/20/56/17/557205617.db2.gz VBAKLTHYFGIDMY-FQEVSTJZSA-N 0 0 443.613 3.765 40 10 IHCBRN CC[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000219082558 557223987 /nfs/dbraw/zinc/22/39/87/557223987.db2.gz LWKBCWIBWGUSSE-JOCHJYFZSA-N 0 0 429.586 3.538 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(F)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000100371079 557259281 /nfs/dbraw/zinc/25/92/81/557259281.db2.gz MLXQHVURHOIKLS-NJYVYQBISA-N 0 0 447.462 3.649 40 10 IHCBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C(=O)N1c1cccc(Cl)c1 ZINC000102758774 557307485 /nfs/dbraw/zinc/30/74/85/557307485.db2.gz QHXZPCUSIUFKAP-NJYVYQBISA-N 0 0 436.851 3.802 40 10 IHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000222725546 557379589 /nfs/dbraw/zinc/37/95/89/557379589.db2.gz BERKBRNSQJOYHU-BJKOFHAPSA-N 0 0 447.608 3.928 40 10 IHCBRN CC1=NN(c2ccc(I)cc2)C(=O)C1=CNNc1ccc(C)cc1 ZINC000013634888 557383911 /nfs/dbraw/zinc/38/39/11/557383911.db2.gz WFOSEBHDSMFRNV-BOPFTXTBSA-N 0 0 432.265 3.823 40 10 IHCBRN COc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2)c1 ZINC000033457392 557399187 /nfs/dbraw/zinc/39/91/87/557399187.db2.gz RAXQTHXRBKPYGO-HDUSIBQMSA-N 0 0 436.493 3.792 40 10 IHCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cc(Cl)ccc1O ZINC000223570244 557487320 /nfs/dbraw/zinc/48/73/20/557487320.db2.gz NEDLUXXRJSBOHB-LEWJYISDSA-N 0 0 442.972 3.813 40 10 IHCBRN CCOc1ccc(NC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2CC(=O)OC)cc1 ZINC000017102052 557491080 /nfs/dbraw/zinc/49/10/80/557491080.db2.gz GDABXEUVEVTYRC-STZFKDTASA-N 0 0 438.440 3.645 40 10 IHCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223695438 557503103 /nfs/dbraw/zinc/50/31/03/557503103.db2.gz YIYYHSIZDCECNF-XZOQPEGZSA-N 0 0 449.580 3.728 40 10 IHCBRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000223695036 557503122 /nfs/dbraw/zinc/50/31/22/557503122.db2.gz IMWDZKJAJOOVOU-XZOQPEGZSA-N 0 0 449.580 3.728 40 10 IHCBRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)C1 ZINC000223852833 557521013 /nfs/dbraw/zinc/52/10/13/557521013.db2.gz NMAKOPCGQMKJSK-GOSISDBHSA-N 0 0 427.570 3.528 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000225286708 557709075 /nfs/dbraw/zinc/70/90/75/557709075.db2.gz YWZLNOPOMZKJTQ-LJQANCHMSA-N 0 0 431.602 3.621 40 10 IHCBRN CN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)N(C)C1=O ZINC000059087247 557813787 /nfs/dbraw/zinc/81/37/87/557813787.db2.gz JLSNFUBCOOJTHM-UHFFFAOYSA-N 0 0 425.847 3.916 40 10 IHCBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000059139740 557816914 /nfs/dbraw/zinc/81/69/14/557816914.db2.gz BGZMBBBAQSIRIP-UHFFFAOYSA-N 0 0 444.940 3.916 40 10 IHCBRN CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])c(C)c3C)o2)C(=O)N(CC)C1=S ZINC000059639493 557824257 /nfs/dbraw/zinc/82/42/57/557824257.db2.gz LNBMNEYMBQRDAB-UHFFFAOYSA-N 0 0 427.482 3.851 40 10 IHCBRN COc1ccc(N2CCN(C(=O)COc3cc(C)ccc3C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000033597467 569259524 /nfs/dbraw/zinc/25/95/24/569259524.db2.gz LWCJMZYZKCNNIB-UHFFFAOYSA-N 0 0 427.501 3.763 40 10 IHCBRN CN(C)c1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000013503868 132347436 /nfs/dbraw/zinc/34/74/36/132347436.db2.gz WCRNZEQYRYHKCC-XMMPIXPASA-N 0 0 449.578 3.905 40 10 IHCBRN COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3Cc3ccc(F)cc3)CC2)cc1 ZINC000013504735 132348386 /nfs/dbraw/zinc/34/83/86/132348386.db2.gz VKWPKXINVUUNHU-HSZRJFAPSA-N 0 0 438.551 3.779 40 10 IHCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccccc1F ZINC000041078440 520627082 /nfs/dbraw/zinc/62/70/82/520627082.db2.gz SQRCXQDZVRDGMP-UXMLFEQVSA-N 0 0 435.411 3.894 40 10 IHCBRN CCSC1=NN2C(=NC(=O)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)C2=N)S1 ZINC000041083521 521695271 /nfs/dbraw/zinc/69/52/71/521695271.db2.gz YXZNZBICUVQESU-UBQQHRPYSA-N 0 0 426.479 3.829 40 10 IHCBRN C[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000022335344 525099705 /nfs/dbraw/zinc/09/97/05/525099705.db2.gz NJHRQENFWSVOOE-QZTJIDSGSA-N 0 0 447.576 3.705 40 10 IHCBRN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cccnc1 ZINC000016770014 526706203 /nfs/dbraw/zinc/70/62/03/526706203.db2.gz CSODQBPDJVOVMB-RIYZIHGNSA-N 0 0 434.340 3.684 40 10 IHCBRN N=C1/C(=C/c2cccn2CCOc2ccccc2)C(=O)N=C2SC(N3CCCCC3)=NN21 ZINC000041084745 526838536 /nfs/dbraw/zinc/83/85/36/526838536.db2.gz WZXPAFZOTFPEQA-GQZAOGGHSA-N 0 0 448.552 3.630 40 10 IHCBRN COc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1OC ZINC000001259708 555688132 /nfs/dbraw/zinc/68/81/32/555688132.db2.gz CXHTUJNXZWBBPD-XNTDXEJSSA-N 0 0 434.926 3.903 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(F)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000004199378 555975647 /nfs/dbraw/zinc/97/56/47/555975647.db2.gz MLXQHVURHOIKLS-HKBOAZHASA-N 0 0 447.462 3.649 40 10 IHCBRN COc1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000008819063 556218460 /nfs/dbraw/zinc/21/84/60/556218460.db2.gz ULZBXSCBLUMBTQ-QGOAFFKASA-N 0 0 437.546 3.899 40 10 IHCBRN Cn1c(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc2ccccc21 ZINC000008821937 556223906 /nfs/dbraw/zinc/22/39/06/556223906.db2.gz XUJIIKHMYPTIMC-GZTJUZNOSA-N 0 0 438.490 3.633 40 10 IHCBRN COC(=O)CN1c2ccccc2/C(=C2/SC(=S)N(c3cccc(C)c3C)C2=O)C1=O ZINC000008873303 556230049 /nfs/dbraw/zinc/23/00/49/556230049.db2.gz HABWNLRXKZQUSC-HNENSFHCSA-N 0 0 438.530 3.599 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1O ZINC000013547140 556514169 /nfs/dbraw/zinc/51/41/69/556514169.db2.gz LRYZDNGWVXPQBF-QVASGMJFSA-N 0 0 430.345 3.544 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(F)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000100418521 556586965 /nfs/dbraw/zinc/58/69/65/556586965.db2.gz MUKPFLNQXJJISD-QHAWAJNXSA-N 0 0 441.414 3.521 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)[C@@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@H]12 ZINC000018137146 556684733 /nfs/dbraw/zinc/68/47/33/556684733.db2.gz ROOZMGFMZVXKTF-QHAWAJNXSA-N 0 0 441.414 3.521 40 10 IHCBRN CN(C)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000018150658 556685223 /nfs/dbraw/zinc/68/52/23/556685223.db2.gz FDDDPYNENFJNGN-UHFFFAOYSA-N 0 0 441.528 3.965 40 10 IHCBRN COCCN1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)C(=O)N(c2ccccc2)C1=O ZINC000409008736 556919129 /nfs/dbraw/zinc/91/91/29/556919129.db2.gz DFQITIVVFBCVOC-JCMHNJIXSA-N 0 0 444.491 3.514 40 10 IHCBRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 ZINC000019818229 556920777 /nfs/dbraw/zinc/92/07/77/556920777.db2.gz HEDGLHKHMYAIGR-RTWAWAEBSA-N 0 0 437.496 3.609 40 10 IHCBRN CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(Br)cc1O ZINC000409090162 556951650 /nfs/dbraw/zinc/95/16/50/556951650.db2.gz LTSUJWGLLDEKQJ-LYGDGENHSA-N 0 0 444.372 3.934 40 10 IHCBRN O=C1S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000409131652 556963448 /nfs/dbraw/zinc/96/34/48/556963448.db2.gz JNUGLFFKPFATJW-UNOMPAQXSA-N 0 0 443.456 3.807 40 10 IHCBRN CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(CC(=O)NCCCOC)c21 ZINC000409141879 556972623 /nfs/dbraw/zinc/97/26/23/556972623.db2.gz JKDQWFWICSJQEJ-PDGQHHTCSA-N 0 0 445.610 3.578 40 10 IHCBRN Cc1ccccc1OCCCn1cc(C=C2C(=O)NC(=S)N(C)C2=O)c2ccccc21 ZINC000409147788 556973324 /nfs/dbraw/zinc/97/33/24/556973324.db2.gz ZETSIFGFPFVFEA-RGEXLXHISA-N 0 0 433.533 3.675 40 10 IHCBRN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C(=O)[N-]C1=S ZINC000409167808 556982645 /nfs/dbraw/zinc/98/26/45/556982645.db2.gz NMERYTFNMPLKMC-LDADJPATSA-N 0 0 446.532 3.637 40 10 IHCBRN CCCOc1c(I)cc(C=C2SC(=S)NC2=O)cc1OC ZINC000006500663 557156070 /nfs/dbraw/zinc/15/60/70/557156070.db2.gz ZARNWJRLSOHYAU-YRNVUSSQSA-N 0 0 435.308 3.577 40 10 IHCBRN CC(C)(C)c1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000010113643 557206203 /nfs/dbraw/zinc/20/62/03/557206203.db2.gz JUDNRBPOCILPGI-UHFFFAOYSA-N 0 0 443.613 3.667 40 10 IHCBRN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(I)c1OC ZINC000113831234 557307237 /nfs/dbraw/zinc/30/72/37/557307237.db2.gz DQOWUKKTDFSMIJ-YRNVUSSQSA-N 0 0 435.308 3.530 40 10 IHCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000014414329 557445338 /nfs/dbraw/zinc/44/53/38/557445338.db2.gz STJXQYOUIDVSJE-CYVLTUHYSA-N 0 0 437.492 3.628 40 10 IHCBRN CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000138430528 557459903 /nfs/dbraw/zinc/45/99/03/557459903.db2.gz PFRSABFPMWBXNL-KMDXXIMOSA-N 0 0 427.504 3.799 40 10 IHCBRN COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 ZINC000223618601 557492724 /nfs/dbraw/zinc/49/27/24/557492724.db2.gz VXPNSDULWMJNFS-XZOQPEGZSA-N 0 0 436.581 3.853 40 10 IHCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000223660150 557498753 /nfs/dbraw/zinc/49/87/53/557498753.db2.gz QWFDJUQWDQQLBC-DHIUTWEWSA-N 0 0 449.580 3.728 40 10 IHCBRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)cc1 ZINC000224502110 557613521 /nfs/dbraw/zinc/61/35/21/557613521.db2.gz UIOFQZCYVGRYFI-UHFFFAOYSA-N 0 0 437.565 3.816 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 ZINC000225389050 557717635 /nfs/dbraw/zinc/71/76/35/557717635.db2.gz VLDDXRIQHYIPAE-UHFFFAOYSA-N 0 0 443.613 3.883 40 10 IHCBRN CCCn1c2ccc(S(=O)(=O)NCc3ccc(N(CC)CC)cc3)cc2sc1=O ZINC000225736853 557770746 /nfs/dbraw/zinc/77/07/46/557770746.db2.gz HVMRJNILLWULNN-UHFFFAOYSA-N 0 0 433.599 3.798 40 10 IHCBRN COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000225811545 557779994 /nfs/dbraw/zinc/77/99/94/557779994.db2.gz NEYFBKXWJCAMTJ-UHFFFAOYSA-N 0 0 426.904 3.680 40 10 IHCBRN CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000225847842 557784891 /nfs/dbraw/zinc/78/48/91/557784891.db2.gz VAZATRWXZLRAJY-JOCHJYFZSA-N 0 0 431.602 3.702 40 10 IHCBRN COc1cc(N2CCCCCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225951401 557796289 /nfs/dbraw/zinc/79/62/89/557796289.db2.gz FAXMPVLJKYGCLX-UHFFFAOYSA-N 0 0 440.617 3.952 40 10 IHCBRN COc1cc(C=C2SC(Nc3cccc(Cl)c3C)=NC2=O)ccc1OCC(N)=O ZINC000033304252 557807127 /nfs/dbraw/zinc/80/71/27/557807127.db2.gz KQNMQKQERXYANK-RQZCQDPDSA-N 0 0 431.901 3.604 40 10 IHCBRN COc1c(Br)cc(Br)cc1C=C1C(=O)OC2(CCCC2)OC1=O ZINC000058865957 557812313 /nfs/dbraw/zinc/81/23/13/557812313.db2.gz NKUUJDKOQBBTSR-UHFFFAOYSA-N 0 0 446.091 3.974 40 10 IHCBRN C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000260770943 557854544 /nfs/dbraw/zinc/85/45/44/557854544.db2.gz VFQDVCZPAAHOHI-SELNLUPBSA-N 0 0 443.613 3.733 40 10 IHCBRN COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2ccc3cc[nH]c3n2)C1 ZINC000257300180 568711442 /nfs/dbraw/zinc/71/14/42/568711442.db2.gz RTFRMXNZGJOKPN-LJQANCHMSA-N 0 0 448.567 3.893 40 10 IHCBRN COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000108238734 569260949 /nfs/dbraw/zinc/26/09/49/569260949.db2.gz YOXFLVKZVIAGSR-UHFFFAOYSA-N 0 0 440.283 3.638 40 10 IHCBRN CCOC(=O)c1c(C)n(C)c2cc(C[NH+](C)C)c([O-])c(S(=O)(=O)c3ccc(C)cc3)c21 ZINC000020437078 569365502 /nfs/dbraw/zinc/36/55/02/569365502.db2.gz WWSMKKWCPCYZGO-UHFFFAOYSA-N 0 0 444.553 3.572 40 10 IHCBRN CCC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CCN(c2ccc(OC)cc2)CC1 ZINC000013504181 132347760 /nfs/dbraw/zinc/34/77/60/132347760.db2.gz UJHWHSBSCGFCGJ-QFIPXVFZSA-N 0 0 438.551 3.878 40 10 IHCBRN Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000013668778 132352876 /nfs/dbraw/zinc/35/28/76/132352876.db2.gz KGPGAQAKQRUSIM-UHFFFAOYSA-N 0 0 441.597 3.700 40 10 IHCBRN COc1cc(OC)c(-n2cccc2/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc1Cl ZINC000041108075 522784399 /nfs/dbraw/zinc/78/43/99/522784399.db2.gz GDWRVOQZLYSDCT-PAYPOKEOSA-N 0 0 429.889 3.787 40 10 IHCBRN CCOC(=O)[C@H](C(=O)c1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1O ZINC000004642502 556004975 /nfs/dbraw/zinc/00/49/75/556004975.db2.gz CODIZTLUWWWEQP-NRFANRHFSA-N 0 0 439.489 3.723 40 10 IHCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1 ZINC000008819085 556218678 /nfs/dbraw/zinc/21/86/78/556218678.db2.gz DMMJYMYEIBIFRM-PDGQHHTCSA-N 0 0 428.535 3.934 40 10 IHCBRN COC(=O)CC1=NN(c2ccc(-c3cccs3)nn2)C(=O)C1=C(C)NCc1ccccc1 ZINC000009526058 556297064 /nfs/dbraw/zinc/29/70/64/556297064.db2.gz AQPQGWJMNSYGBA-JCMHNJIXSA-N 0 0 447.520 3.535 40 10 IHCBRN CN(C)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000015541618 556533698 /nfs/dbraw/zinc/53/36/98/556533698.db2.gz KQOZLGLKQQSAGQ-UHFFFAOYSA-N 0 0 437.565 3.850 40 10 IHCBRN COc1cccc(C=C2SC(N)=NC2=O)c1OCC(=O)Nc1cccc2ccccc21 ZINC000016779080 556640721 /nfs/dbraw/zinc/64/07/21/556640721.db2.gz IHYFKTVWONDYEK-UNOMPAQXSA-N 0 0 433.489 3.795 40 10 IHCBRN O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(I)cc1 ZINC000226855220 556685438 /nfs/dbraw/zinc/68/54/38/556685438.db2.gz RAUDVTTXZIXMDS-UHFFFAOYSA-N 0 0 425.247 3.951 40 10 IHCBRN Cc1nc([C@@H]2CCCCN2Cc2ccc(N3CCOCC3)c(F)c2)nc2c1CCCN2C ZINC000019706092 556864026 /nfs/dbraw/zinc/86/40/26/556864026.db2.gz NZDRRIFKWBUZFH-QHCPKHFHSA-N 0 0 439.579 3.870 40 10 IHCBRN Cc1ccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)cc1C ZINC000408868949 556874179 /nfs/dbraw/zinc/87/41/79/556874179.db2.gz QSHUPJLYWCMPCW-UHFFFAOYSA-N 0 0 445.338 3.559 40 10 IHCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408901079 556882394 /nfs/dbraw/zinc/88/23/94/556882394.db2.gz ZXIMLRKEAWESSN-UHFFFAOYSA-N 0 0 444.940 3.849 40 10 IHCBRN CC(=O)Nc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1 ZINC000408902870 556885605 /nfs/dbraw/zinc/88/56/05/556885605.db2.gz MPLDKBWQETXZGO-XKZIYDEJSA-N 0 0 428.517 3.823 40 10 IHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000408995605 556912169 /nfs/dbraw/zinc/91/21/69/556912169.db2.gz BMIVURAADQPKOL-ZHZULCJRSA-N 0 0 437.492 3.628 40 10 IHCBRN CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409012897 556918894 /nfs/dbraw/zinc/91/88/94/556918894.db2.gz LLKHASCHXFAVFZ-UHFFFAOYSA-N 0 0 439.464 3.631 40 10 IHCBRN CNc1nc([C@@H]2CCCCN2Cc2ccc(N3CCCC3)cc2)nc2c1CCN(C(C)=O)C2 ZINC000072376564 556955028 /nfs/dbraw/zinc/95/50/28/556955028.db2.gz LPUVZNKRTKFZRZ-DEOSSOPVSA-N 0 0 448.615 3.750 40 10 IHCBRN CNc1nc([C@H]2CCCCN2Cc2ccc3c(c2)CCCN3C)nc2c1CCN(C(C)=O)C2 ZINC000072376567 556955073 /nfs/dbraw/zinc/95/50/73/556955073.db2.gz DCSYYPUIAIZPOE-XMMPIXPASA-N 0 0 448.615 3.533 40 10 IHCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)SC1=S ZINC000409209734 557004153 /nfs/dbraw/zinc/00/41/53/557004153.db2.gz IDWHMJKPMYEJKX-ZDLGFXPLSA-N 0 0 447.509 3.788 40 10 IHCBRN CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(N=Nc4ccc(C)cc4)cc3)C(=O)[C@@H]12 ZINC000409288147 557051507 /nfs/dbraw/zinc/05/15/07/557051507.db2.gz DFFXCRSDAKDQRZ-RKAUEIKVSA-N 0 0 431.448 3.787 40 10 IHCBRN CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409338868 557074103 /nfs/dbraw/zinc/07/41/03/557074103.db2.gz PVRPHTUTDCEJGV-NVMNQCDNSA-N 0 0 443.502 3.763 40 10 IHCBRN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1C ZINC000409347459 557075617 /nfs/dbraw/zinc/07/56/17/557075617.db2.gz PYWZFWAGAHTNMT-WOJGMQOQSA-N 0 0 428.535 3.852 40 10 IHCBRN CN(C)c1ccc(N2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)SC2=S)cc1 ZINC000409353571 557080578 /nfs/dbraw/zinc/08/05/78/557080578.db2.gz NODIVJWCDHPQHE-IUXPMGMMSA-N 0 0 429.479 3.795 40 10 IHCBRN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1O ZINC000102732754 557131703 /nfs/dbraw/zinc/13/17/03/557131703.db2.gz SYPBHEQVTDEXFB-JAXLGGSGSA-N 0 0 434.423 3.591 40 10 IHCBRN C[C@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218225742 557183094 /nfs/dbraw/zinc/18/30/94/557183094.db2.gz RPFKXUZKTUVFRE-MOPGFXCFSA-N 0 0 429.586 3.566 40 10 IHCBRN C[C@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218264929 557186007 /nfs/dbraw/zinc/18/60/07/557186007.db2.gz RQFGJENRCZVHPB-MSOLQXFVSA-N 0 0 447.576 3.705 40 10 IHCBRN Cc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1C ZINC000010113188 557205468 /nfs/dbraw/zinc/20/54/68/557205468.db2.gz VBAKLTHYFGIDMY-HXUWFJFHSA-N 0 0 443.613 3.765 40 10 IHCBRN C[C@@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000022326617 557217625 /nfs/dbraw/zinc/21/76/25/557217625.db2.gz RPFKXUZKTUVFRE-RBUKOAKNSA-N 0 0 429.586 3.566 40 10 IHCBRN COc1cc(N2CCOCC2)c(OC)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222596180 557358519 /nfs/dbraw/zinc/35/85/19/557358519.db2.gz LOGGNXOYPXWLDM-ITEAAPOESA-N 0 0 440.569 3.525 40 10 IHCBRN CN(C)c1ccc([C@H]2N[C@H](c3ccc(N(C)C)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 ZINC000033929631 557379405 /nfs/dbraw/zinc/37/94/05/557379405.db2.gz AZYNBZDCAGSMDT-YSFYHYPLSA-N 0 0 441.532 3.521 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000169680749 557460782 /nfs/dbraw/zinc/46/07/82/557460782.db2.gz HBEGEVRYDQYKLS-NJYVYQBISA-N 0 0 441.414 3.521 40 10 IHCBRN COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)c2C)cc1 ZINC000223618559 557492781 /nfs/dbraw/zinc/49/27/81/557492781.db2.gz VXPNSDULWMJNFS-PKTZIBPZSA-N 0 0 436.581 3.853 40 10 IHCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223660674 557498724 /nfs/dbraw/zinc/49/87/24/557498724.db2.gz XDYNOFMLGYJCQN-DHIUTWEWSA-N 0 0 449.580 3.728 40 10 IHCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000223694994 557503055 /nfs/dbraw/zinc/50/30/55/557503055.db2.gz IMWDZKJAJOOVOU-PKTZIBPZSA-N 0 0 449.580 3.728 40 10 IHCBRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C ZINC000223715033 557505374 /nfs/dbraw/zinc/50/53/74/557505374.db2.gz BSIZJOLDWXGCOJ-XZOQPEGZSA-N 0 0 449.580 3.810 40 10 IHCBRN CSc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C(=O)N1CCCCC1 ZINC000223891698 557525897 /nfs/dbraw/zinc/52/58/97/557525897.db2.gz BLDFRCJYPXRHTG-UHFFFAOYSA-N 0 0 447.626 3.579 40 10 IHCBRN C[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(N2CCCC2)cc1 ZINC000224383768 557599857 /nfs/dbraw/zinc/59/98/57/557599857.db2.gz JPYBHYWPMLHWFQ-SFHVURJKSA-N 0 0 427.570 3.708 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000224592510 557628366 /nfs/dbraw/zinc/62/83/66/557628366.db2.gz IWKOQUJTIDPSIO-MRXNPFEDSA-N 0 0 437.993 3.657 40 10 IHCBRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000225305008 557710280 /nfs/dbraw/zinc/71/02/80/557710280.db2.gz LFKHOLUQVYBWQS-ULJHMMPZSA-N 0 0 445.519 3.512 40 10 IHCBRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(N2CCC(C)CC2)cc1 ZINC000225681469 557762333 /nfs/dbraw/zinc/76/23/33/557762333.db2.gz WKTIBPNMWCUDGA-MRXNPFEDSA-N 0 0 445.610 3.876 40 10 IHCBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000059139523 557816992 /nfs/dbraw/zinc/81/69/92/557816992.db2.gz FFICBRXGUBIXGY-UHFFFAOYSA-N 0 0 448.903 3.665 40 10 IHCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260801737 557857864 /nfs/dbraw/zinc/85/78/64/557857864.db2.gz LPRDYLAZVAGRFC-HOTGVXAUSA-N 0 0 445.610 3.876 40 10 IHCBRN C[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260841131 557860995 /nfs/dbraw/zinc/86/09/95/557860995.db2.gz JLTMZLFREYTORH-VQTJNVASSA-N 0 0 443.613 3.562 40 10 IHCBRN Cn1ccnc1-c1nccnc1[C@@H]1CCCN(C(=O)c2ccnc(Cc3ccccc3)c2)C1 ZINC000257283332 568703513 /nfs/dbraw/zinc/70/35/13/568703513.db2.gz OXVLERBZYNVBSX-OAQYLSRUSA-N 0 0 438.535 3.883 40 10 IHCBRN COc1ccc2c(c1)C=C[C@H]1[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 ZINC000101480051 568844082 /nfs/dbraw/zinc/84/40/82/568844082.db2.gz LYWNPVXGAPZUCK-FNAHDJPLSA-N 0 0 436.895 3.636 40 10 IHCBRN CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)N1CCCCCC1 ZINC000026119996 569242469 /nfs/dbraw/zinc/24/24/69/569242469.db2.gz ZLMDCCZMXFLOOH-UHFFFAOYSA-N 0 0 448.566 3.954 40 10 IHCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(C)=C2C(=O)OC)cc1OC ZINC000033563286 569259381 /nfs/dbraw/zinc/25/93/81/569259381.db2.gz ZJNYEQZJTZSDJC-PDGQHHTCSA-N 0 0 438.436 3.879 40 10 IHCBRN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(OCC(N)=O)c(Br)c3)S2)cc1 ZINC000108924362 569260906 /nfs/dbraw/zinc/26/09/06/569260906.db2.gz FXBMCADGVHTZJX-SXGWCWSVSA-N 0 0 446.326 3.704 40 10 IHCBRN COc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2)cc1 ZINC000041076644 569526522 /nfs/dbraw/zinc/52/65/22/569526522.db2.gz FPRUPVWFKSWCJZ-ZMJNKNPSSA-N 0 0 436.493 3.792 40 10 IHCBRN N=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(c3ccco3)=NN21 ZINC000041076749 569526527 /nfs/dbraw/zinc/52/65/27/569526527.db2.gz MWSXMBRCHGGKDC-WSYITQDSSA-N 0 0 432.421 3.646 40 10 IHCBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(OC)cc1 ZINC000041078443 520627202 /nfs/dbraw/zinc/62/72/02/520627202.db2.gz JNGRLAAWWPKFHX-JKGLIZDUSA-N 0 0 447.447 3.763 40 10 IHCBRN Cc1ccc(Cn2cccc2/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 ZINC000041084771 524772320 /nfs/dbraw/zinc/77/23/20/524772320.db2.gz HAYMNLGZTNDMIA-FBIWUZAXSA-N 0 0 432.553 3.907 40 10 IHCBRN C[C@@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000022363400 525100228 /nfs/dbraw/zinc/10/02/28/525100228.db2.gz GQLDGAPIVRVBBJ-QZTJIDSGSA-N 0 0 447.576 3.705 40 10 IHCBRN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCc1ccc(O)cc1 ZINC000033544510 526476986 /nfs/dbraw/zinc/47/69/86/526476986.db2.gz BJIWHFMWJHNPMZ-QGOAFFKASA-N 0 0 446.981 3.996 40 10 IHCBRN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc2oc(=O)ccc2c1 ZINC000033542165 526477087 /nfs/dbraw/zinc/47/70/87/526477087.db2.gz WXDLMWHLDXXRIU-LFIBNONCSA-N 0 0 426.475 3.616 40 10 IHCBRN CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)S1 ZINC000408528281 555725161 /nfs/dbraw/zinc/72/51/61/555725161.db2.gz DHOCBAYMDSQWBR-ZDLGFXPLSA-N 0 0 443.912 3.772 40 10 IHCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OC(C)C ZINC000408530238 555726646 /nfs/dbraw/zinc/72/66/46/555726646.db2.gz LMKVXORRZNQFBO-ZSOIEALJSA-N 0 0 427.320 3.741 40 10 IHCBRN CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=CNc1ccc2c(c1)n(C)c(=O)n2C ZINC000408534547 555752375 /nfs/dbraw/zinc/75/23/75/555752375.db2.gz VZESKEIMEWRTCH-UVTDQMKNSA-N 0 0 430.295 3.902 40 10 IHCBRN COC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000408549809 555830683 /nfs/dbraw/zinc/83/06/83/555830683.db2.gz ZLXCSAFQUSZFHD-YBFXNURJSA-N 0 0 437.883 3.717 40 10 IHCBRN CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)NCc3ccccc3)c2)SC1=S ZINC000408571514 555915078 /nfs/dbraw/zinc/91/50/78/555915078.db2.gz BMUVBYLGKILODX-UNOMPAQXSA-N 0 0 426.563 3.991 40 10 IHCBRN CCOc1cccc(/C=C2\C(=O)N(c3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)c1O ZINC000408583950 555931571 /nfs/dbraw/zinc/93/15/71/555931571.db2.gz KTCGXYJVTRAURK-ATVHPVEESA-N 0 0 439.464 3.685 40 10 IHCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC ZINC000408586205 555936948 /nfs/dbraw/zinc/93/69/48/555936948.db2.gz LVYXTICNIZMQGP-ATVHPVEESA-N 0 0 427.428 3.729 40 10 IHCBRN CCN(CC)c1ccc([C@H]2N(C(C)=O)[C@@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005947580 556070406 /nfs/dbraw/zinc/07/04/06/556070406.db2.gz QVMGUASGLKUQHE-FDDCHVKYSA-N 0 0 429.586 3.781 40 10 IHCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NCCc3ccccc3)C2=O)cc1 ZINC000008819118 556218705 /nfs/dbraw/zinc/21/87/05/556218705.db2.gz OTSWCZGDNDZQJZ-RGEXLXHISA-N 0 0 426.563 3.645 40 10 IHCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCCC3)C2=O)cc1 ZINC000008819564 556219250 /nfs/dbraw/zinc/21/92/50/556219250.db2.gz OWGHQRLJWNPQRU-JXAWBTAJSA-N 0 0 446.594 3.904 40 10 IHCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3=NCCS3)C2=O)cc1 ZINC000008819886 556219773 /nfs/dbraw/zinc/21/97/73/556219773.db2.gz INXWSKZSRGOPBE-SSZFMOIBSA-N 0 0 449.623 3.676 40 10 IHCBRN C[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260453387 556720485 /nfs/dbraw/zinc/72/04/85/556720485.db2.gz NJHRQENFWSVOOE-ROUUACIJSA-N 0 0 447.576 3.705 40 10 IHCBRN Cc1[nH]c(=S)n(NC(=S)Nc2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000068602402 556849100 /nfs/dbraw/zinc/84/91/00/556849100.db2.gz DMDXKVWVNFTMHX-WNIYRAMRSA-N 0 0 441.498 3.537 40 10 IHCBRN COC(=O)COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000408904924 556883903 /nfs/dbraw/zinc/88/39/03/556883903.db2.gz QMBJFAAKPNLTHS-GZTJUZNOSA-N 0 0 429.270 3.807 40 10 IHCBRN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000408981076 556907810 /nfs/dbraw/zinc/90/78/10/556907810.db2.gz YVRQQKRUMUOIPP-UYRXBGFRSA-N 0 0 437.492 3.628 40 10 IHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000408999091 556913659 /nfs/dbraw/zinc/91/36/59/556913659.db2.gz KAJPXDBNZJKJFI-ZHZULCJRSA-N 0 0 437.492 3.628 40 10 IHCBRN COc1cc(OC)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1Br ZINC000409129561 556967102 /nfs/dbraw/zinc/96/71/02/556967102.db2.gz GPCWHFDQAIXXIE-SXGWCWSVSA-N 0 0 447.310 3.867 40 10 IHCBRN COC(=O)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1 ZINC000409143516 556975535 /nfs/dbraw/zinc/97/55/35/556975535.db2.gz FOIZQRAFGWBZPV-MHWRWJLKSA-N 0 0 446.937 3.981 40 10 IHCBRN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)[N-]C1=S ZINC000409173603 556984477 /nfs/dbraw/zinc/98/44/77/556984477.db2.gz MEWNICGDPQKMLM-GHRIWEEISA-N 0 0 437.908 3.971 40 10 IHCBRN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000409207792 556997011 /nfs/dbraw/zinc/99/70/11/556997011.db2.gz AAZJSHSFLFMSLI-HMAPJEAMSA-N 0 0 428.492 3.890 40 10 IHCBRN CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(N=Nc4ccc(C)cc4)cc3)C(=O)[C@H]12 ZINC000409288145 557051467 /nfs/dbraw/zinc/05/14/67/557051467.db2.gz DFFXCRSDAKDQRZ-CANYGOEUSA-N 0 0 431.448 3.787 40 10 IHCBRN CCCN1C(=O)/C(=C\c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)SC1=S ZINC000409338431 557073403 /nfs/dbraw/zinc/07/34/03/557073403.db2.gz JSTAQSCYZDKOKH-NTEUORMPSA-N 0 0 429.947 3.902 40 10 IHCBRN CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409339304 557074606 /nfs/dbraw/zinc/07/46/06/557074606.db2.gz TWZZHFILIBWDGF-GZTJUZNOSA-N 0 0 444.490 3.943 40 10 IHCBRN CN(C)c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022928625 557271966 /nfs/dbraw/zinc/27/19/66/557271966.db2.gz SREUMNPXEXMSSB-VWLOTQADSA-N 0 0 445.615 3.761 40 10 IHCBRN CN(C)c1ccc([C@H]2N[C@H](c3ccc(N(C)C)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 ZINC000033929632 557379350 /nfs/dbraw/zinc/37/93/50/557379350.db2.gz AZYNBZDCAGSMDT-CZYKHXBRSA-N 0 0 441.532 3.521 40 10 IHCBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1c[nH]c2ccccc12 ZINC000033542828 557409596 /nfs/dbraw/zinc/40/95/96/557409596.db2.gz SAHHGAKBOAUZBU-LICLKQGHSA-N 0 0 427.576 3.790 40 10 IHCBRN COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000223390205 557466031 /nfs/dbraw/zinc/46/60/31/557466031.db2.gz DDIDWTOWCAQSTG-UHFFFAOYSA-N 0 0 439.375 3.927 40 10 IHCBRN CCN(c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000224508189 557614456 /nfs/dbraw/zinc/61/44/56/557614456.db2.gz KKFZEOSUYIEUNX-UHFFFAOYSA-N 0 0 437.565 3.898 40 10 IHCBRN COc1ccc(N(C)CCCNC(=O)c2ccc(C)cc2I)cc1 ZINC000225031530 557680666 /nfs/dbraw/zinc/68/06/66/557680666.db2.gz GPOSKHCFUPIXFI-UHFFFAOYSA-N 0 0 438.309 3.865 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000225168242 557695422 /nfs/dbraw/zinc/69/54/22/557695422.db2.gz QJSPFDYMJFPEAM-UHFFFAOYSA-N 0 0 437.993 3.577 40 10 IHCBRN Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(F)c(N3CCCC3)cc2C)C1=O ZINC000033541884 557808378 /nfs/dbraw/zinc/80/83/78/557808378.db2.gz DPHJKGMYQFFFMV-MOSHPQCFSA-N 0 0 436.487 3.574 40 10 IHCBRN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000059109603 557820640 /nfs/dbraw/zinc/82/06/40/557820640.db2.gz AIDAGCSHLIBHEY-UHFFFAOYSA-N 0 0 444.329 3.907 40 10 IHCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)N21 ZINC000260769382 557853757 /nfs/dbraw/zinc/85/37/57/557853757.db2.gz LUSOUDBCKAUADL-CZAAIQMYSA-N 0 0 439.541 3.806 40 10 IHCBRN COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257299759 568711185 /nfs/dbraw/zinc/71/11/85/568711185.db2.gz RRMLUBSKQXLELY-FQEVSTJZSA-N 0 0 448.567 3.665 40 10 IHCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000008951606 568877810 /nfs/dbraw/zinc/87/78/10/568877810.db2.gz PGDMXURRODQTTC-GUSDSWBTSA-N 0 0 425.491 3.991 40 10 IHCBRN COc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)c1 ZINC000026743706 568915924 /nfs/dbraw/zinc/91/59/24/568915924.db2.gz WQDUAHNRLAPAOD-UNOMPAQXSA-N 0 0 431.535 3.993 40 10 IHCBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)S1 ZINC000033649917 569259485 /nfs/dbraw/zinc/25/94/85/569259485.db2.gz IPGKGOBQYDZIRD-ZDLGFXPLSA-N 0 0 443.912 3.772 40 10 IHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OC(=O)c1ccco1 ZINC000041078388 521957311 /nfs/dbraw/zinc/95/73/11/521957311.db2.gz ZUPUQOWXZHHKES-XPERVBFOSA-N 0 0 427.800 3.611 40 10 IHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1ccccc1 ZINC000041082443 521957683 /nfs/dbraw/zinc/95/76/83/521957683.db2.gz ARPOXLKMWCRARN-IVSPKQSDSA-N 0 0 449.463 3.612 40 10 IHCBRN COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)c1 ZINC000041085158 525746078 /nfs/dbraw/zinc/74/60/78/525746078.db2.gz RHEDTTUHWOPALF-PLLOTBJKSA-N 0 0 448.552 3.775 40 10 IHCBRN N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(N3CCOCC3)=NN21 ZINC000041084423 526837094 /nfs/dbraw/zinc/83/70/94/526837094.db2.gz RRENPNDXIWAGDG-BEYSICKZSA-N 0 0 441.900 3.509 40 10 IHCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 ZINC000001183392 555673140 /nfs/dbraw/zinc/67/31/40/555673140.db2.gz HFDHKJFCNCJVQF-HMMYKYKNSA-N 0 0 440.590 3.607 40 10 IHCBRN CCCOc1cc(Br)c(/C=C2\SC(NC(C)=O)=NC2=O)cc1OCC ZINC000035154636 555918959 /nfs/dbraw/zinc/91/89/59/555918959.db2.gz NWOARVYJGXCWNF-NVNXTCNLSA-N 0 0 427.320 3.743 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc(OC)c1OC ZINC000009188346 556250858 /nfs/dbraw/zinc/25/08/58/556250858.db2.gz KUIBWAZYANIYQK-AQTBWJFISA-N 0 0 431.535 3.993 40 10 IHCBRN NS(=O)(=O)c1ccc(N=Nc2nc3c(ncnc3SCc3ccc(F)cc3)[nH]2)cc1 ZINC000018008880 556681533 /nfs/dbraw/zinc/68/15/33/556681533.db2.gz KKPOEHJGLCTCBF-OCEACIFDSA-N 0 0 443.489 3.847 40 10 IHCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000148513386 556755288 /nfs/dbraw/zinc/75/52/88/556755288.db2.gz BXNYQEODNLIMAG-UHFFFAOYSA-N 0 0 441.597 3.782 40 10 IHCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000408894382 556880358 /nfs/dbraw/zinc/88/03/58/556880358.db2.gz QGRSZGAAAOWBNU-WQRHYEAKSA-N 0 0 439.464 3.598 40 10 IHCBRN CCN(CC)c1ccc(CN2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)c(OC)c1 ZINC000072347343 556918775 /nfs/dbraw/zinc/91/87/75/556918775.db2.gz XPKMSUOVMOLGHA-SFHVURJKSA-N 0 0 439.604 3.832 40 10 IHCBRN COc1cc(OC)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Br ZINC000409078809 556948937 /nfs/dbraw/zinc/94/89/37/556948937.db2.gz JMFAFWINYWYOHS-LYGDGENHSA-N 0 0 444.372 3.847 40 10 IHCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O ZINC000409140191 556971937 /nfs/dbraw/zinc/97/19/37/556971937.db2.gz GAIPAGWKVYIBKG-VCHYOVAHSA-N 0 0 431.470 3.694 40 10 IHCBRN O=C1[C@@H](Cc2cc3c(cc2Br)OCO3)SC(=S)N1Cc1cccnc1 ZINC000409149519 556974416 /nfs/dbraw/zinc/97/44/16/556974416.db2.gz ITRMYBXJOVGROE-OAHLLOKOSA-N 0 0 437.340 3.544 40 10 IHCBRN Cc1ccc(OCCCn2cc(C=C3C(=O)NC(=S)N(C)C3=O)c3ccccc32)cc1 ZINC000409149988 556974796 /nfs/dbraw/zinc/97/47/96/556974796.db2.gz XGTHCELUFJOONZ-ZHZULCJRSA-N 0 0 433.533 3.675 40 10 IHCBRN COc1ccc(N2CCN([C@@H](c3nnnn3C(C)C)c3ccc(Cl)cc3)CC2)cc1 ZINC000020140461 556989738 /nfs/dbraw/zinc/98/97/38/556989738.db2.gz DHFHHLLYPHYTLY-OAQYLSRUSA-N 0 0 426.952 3.828 40 10 IHCBRN COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)SC1=S ZINC000409211196 557005860 /nfs/dbraw/zinc/00/58/60/557005860.db2.gz NDIMRAHURHQHRV-ZDLGFXPLSA-N 0 0 447.509 3.788 40 10 IHCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O ZINC000409237970 557019546 /nfs/dbraw/zinc/01/95/46/557019546.db2.gz KPQNQRREJQFUAX-RCCKNPSSSA-N 0 0 448.523 3.525 40 10 IHCBRN CC(=O)Nc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000409330391 557064916 /nfs/dbraw/zinc/06/49/16/557064916.db2.gz LVTMDMOHYFEEDU-YBEGLDIGSA-N 0 0 431.926 3.845 40 10 IHCBRN O=C(NN1C(=O)/C(=C\c2cc3ccccc3oc2=O)SC1=S)c1ccc(Cl)cc1 ZINC000409348584 557076519 /nfs/dbraw/zinc/07/65/19/557076519.db2.gz OZZKJDGPBSLSDZ-MHWRWJLKSA-N 0 0 442.905 3.993 40 10 IHCBRN C[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260511918 557167368 /nfs/dbraw/zinc/16/73/68/557167368.db2.gz SWUSQRDYICUQDV-ZWKOTPCHSA-N 0 0 429.586 3.810 40 10 IHCBRN COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1Br ZINC000010113204 557205551 /nfs/dbraw/zinc/20/55/51/557205551.db2.gz YSMOOPRZKHDOGR-UHFFFAOYSA-N 0 0 439.375 3.927 40 10 IHCBRN Cc1cccc(N(CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)c1 ZINC000022327531 557217542 /nfs/dbraw/zinc/21/75/42/557217542.db2.gz YRVAMXNQIMBNAX-VQTJNVASSA-N 0 0 443.613 3.875 40 10 IHCBRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000219012518 557222802 /nfs/dbraw/zinc/22/28/02/557222802.db2.gz MRDFZVRGOWGNSA-FQEVSTJZSA-N 0 0 443.613 3.729 40 10 IHCBRN Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 ZINC000101486087 557293192 /nfs/dbraw/zinc/29/31/92/557293192.db2.gz XELSQRYVFXHJRX-YPAWHYETSA-N 0 0 437.451 3.690 40 10 IHCBRN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCc2cccnc2)cc1 ZINC000101834304 557295662 /nfs/dbraw/zinc/29/56/62/557295662.db2.gz UPBNQYXGMKKASC-HAVVHWLPSA-N 0 0 428.492 3.914 40 10 IHCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000222725481 557379519 /nfs/dbraw/zinc/37/95/19/557379519.db2.gz BERKBRNSQJOYHU-RPWUZVMVSA-N 0 0 447.608 3.928 40 10 IHCBRN O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000033545096 557410570 /nfs/dbraw/zinc/41/05/70/557410570.db2.gz PCEXNTQBKQJZDF-MFOYZWKCSA-N 0 0 445.953 3.974 40 10 IHCBRN CSc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C(=O)N1CCCC1 ZINC000223891305 557525757 /nfs/dbraw/zinc/52/57/57/557525757.db2.gz GOWPXAVADNFELV-UHFFFAOYSA-N 0 0 447.626 3.531 40 10 IHCBRN CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cc1 ZINC000224490075 557612011 /nfs/dbraw/zinc/61/20/11/557612011.db2.gz CTUFOBFMAMZYCH-UHFFFAOYSA-N 0 0 441.528 3.647 40 10 IHCBRN CCN(CCCNC(=O)c1cccc(I)c1)c1ccc(OC)cc1 ZINC000224968103 557672439 /nfs/dbraw/zinc/67/24/39/557672439.db2.gz KXFYMEMKXSMCRB-UHFFFAOYSA-N 0 0 438.309 3.946 40 10 IHCBRN CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000225181343 557697019 /nfs/dbraw/zinc/69/70/19/557697019.db2.gz SSJXGORWFKXLCQ-OAQYLSRUSA-N 0 0 435.565 3.533 40 10 IHCBRN CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000225610953 557751541 /nfs/dbraw/zinc/75/15/41/557751541.db2.gz GUGGWVIMYLCFQB-FQEVSTJZSA-N 0 0 435.565 3.533 40 10 IHCBRN COc1cc(N2CCC(C)CC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 ZINC000225951280 557796334 /nfs/dbraw/zinc/79/63/34/557796334.db2.gz SZAHTNLOCMVOBE-UHFFFAOYSA-N 0 0 440.617 3.808 40 10 IHCBRN O=C(Oc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000058865832 557812258 /nfs/dbraw/zinc/81/22/58/557812258.db2.gz LBERYXROEISZHK-UHFFFAOYSA-N 0 0 437.404 3.958 40 10 IHCBRN O=C(/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1c2nsnc2ccc1Cl ZINC000059294430 557819822 /nfs/dbraw/zinc/81/98/22/557819822.db2.gz ZLVRDQTVAGIMOZ-QHHAFSJGSA-N 0 0 445.888 3.741 40 10 IHCBRN O=C1N[C@H](c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)Oc2ccccc21 ZINC000059488802 557825842 /nfs/dbraw/zinc/82/58/42/557825842.db2.gz ZSTFBKBYODZRES-DEOSSOPVSA-N 0 0 430.464 3.742 40 10 IHCBRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260908023 568628985 /nfs/dbraw/zinc/62/89/85/568628985.db2.gz WJDXPMODJWKTKX-ROUUACIJSA-N 0 0 429.586 3.664 40 10 IHCBRN CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(=CNc2ccc(OC)cc2)SC1=S ZINC000256055893 568663505 /nfs/dbraw/zinc/66/35/05/568663505.db2.gz YAGLPAXIXPWSFP-OWBBTNHHSA-N 0 0 442.562 3.983 40 10 IHCBRN CCN1CCc2cc(CN3CCO[C@H](c4cc(CCOc5ccccc5)n(C)n4)C3)ccc21 ZINC000257249189 568688140 /nfs/dbraw/zinc/68/81/40/568688140.db2.gz JHEZERMEZXNXBL-MHZLTWQESA-N 0 0 446.595 3.998 40 10 IHCBRN C[C@@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000022363405 569259114 /nfs/dbraw/zinc/25/91/14/569259114.db2.gz GQLDGAPIVRVBBJ-ZWKOTPCHSA-N 0 0 447.576 3.705 40 10 IHCBRN COc1ccc(OC)c(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)c1 ZINC000009189275 132307744 /nfs/dbraw/zinc/30/77/44/132307744.db2.gz SCTXBIXIFZKPKW-ZHZULCJRSA-N 0 0 427.501 3.635 40 10 IHCBRN Cc1cccc(N(CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)c1 ZINC000022327527 524523223 /nfs/dbraw/zinc/52/32/23/524523223.db2.gz YRVAMXNQIMBNAX-WOJBJXKFSA-N 0 0 443.613 3.875 40 10 IHCBRN COc1ccccc1OCCCOc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1 ZINC000041082702 524672265 /nfs/dbraw/zinc/67/22/65/524672265.db2.gz IZSLBHJQPQSSBT-PAHLCNGNSA-N 0 0 433.464 3.993 40 10 IHCBRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000022327959 524893905 /nfs/dbraw/zinc/89/39/05/524893905.db2.gz RMLHGCZDNCEIFM-HXUWFJFHSA-N 0 0 443.613 3.875 40 10 IHCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020489419 526681837 /nfs/dbraw/zinc/68/18/37/526681837.db2.gz USAHZXWUVAMITB-UHFFFAOYSA-N 0 0 441.597 3.533 40 10 IHCBRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N(CCO)Cc1ccccc1 ZINC000009010508 555506472 /nfs/dbraw/zinc/50/64/72/555506472.db2.gz MGEQLUVWIPVEHA-JXAWBTAJSA-N 0 0 446.619 3.751 40 10 IHCBRN CC1=NN(c2cccc(C)c2)C(=O)C1=CNNc1ccc(I)cc1 ZINC000408533122 555745953 /nfs/dbraw/zinc/74/59/53/555745953.db2.gz ODBMADDGMBJBNV-BOPFTXTBSA-N 0 0 432.265 3.823 40 10 IHCBRN CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(OC)c3)C2=O)cc1 ZINC000008819083 556218685 /nfs/dbraw/zinc/21/86/85/556218685.db2.gz PNVCEPOJFPLPPH-WQRHYEAKSA-N 0 0 428.535 3.934 40 10 IHCBRN COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCCC3)C2=O)cc1OC ZINC000008819471 556219257 /nfs/dbraw/zinc/21/92/57/556219257.db2.gz LICHNVMYAKJJLB-JXAWBTAJSA-N 0 0 434.583 3.698 40 10 IHCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCCCC3)C2=O)cc1 ZINC000008819562 556219319 /nfs/dbraw/zinc/21/93/19/556219319.db2.gz QQQLMTJOPNPYRO-SDXDJHTJSA-N 0 0 446.594 3.857 40 10 IHCBRN COc1ccc(CCN2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 ZINC000008821598 556223057 /nfs/dbraw/zinc/22/30/57/556223057.db2.gz PIIKXDAYXPVUCX-PDGQHHTCSA-N 0 0 431.535 3.862 40 10 IHCBRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000008821561 556223082 /nfs/dbraw/zinc/22/30/82/556223082.db2.gz MISOFQRKQIGPKY-UYRXBGFRSA-N 0 0 443.546 3.934 40 10 IHCBRN COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCC(N)=O ZINC000009188668 556251670 /nfs/dbraw/zinc/25/16/70/556251670.db2.gz VLSPEQQHSFSTQN-FHNWIRHTSA-N 0 0 428.535 3.522 40 10 IHCBRN CCOC(=O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(N2CCOCC2)s1 ZINC000016687753 556625497 /nfs/dbraw/zinc/62/54/97/556625497.db2.gz YDNQRJGVVKWOAK-VHEBQXMUSA-N 0 0 435.418 3.993 40 10 IHCBRN CCOc1cc(Br)c(Br)c(C=C2SC(=S)NC2=O)c1O ZINC000016688119 556626089 /nfs/dbraw/zinc/62/60/89/556626089.db2.gz QDJPZULXMYRVHM-FPYGCLRLSA-N 0 0 439.150 3.805 40 10 IHCBRN Cc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(O[C@@H]2c2ccccc2)C(=O)c2ccccc2C1=O ZINC000095470304 556757073 /nfs/dbraw/zinc/75/70/73/556757073.db2.gz GGLJFYXFKKPCRV-BHIFYINESA-N 0 0 437.451 3.690 40 10 IHCBRN COc1ccc(N2CCN(c3ncc(-c4cnccn4)c(-c4ccoc4C)n3)CC2)cc1 ZINC000019583054 556820715 /nfs/dbraw/zinc/82/07/15/556820715.db2.gz VRMPCKBLPJDZNG-UHFFFAOYSA-N 0 0 428.496 3.837 40 10 IHCBRN CCCCOC(=O)CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S ZINC000006480682 556833835 /nfs/dbraw/zinc/83/38/35/556833835.db2.gz ULNKOHTTXYQHMQ-VBKFSLOCSA-N 0 0 439.555 3.647 40 10 IHCBRN CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C(C(=O)OC)=C1C ZINC000408773574 556848217 /nfs/dbraw/zinc/84/82/17/556848217.db2.gz RLBXLOSRHAVEDO-STZFKDTASA-N 0 0 434.492 3.705 40 10 IHCBRN COC(=O)COc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(C)=C2C(=O)OC)cc1 ZINC000408775576 556848671 /nfs/dbraw/zinc/84/86/71/556848671.db2.gz ITTYOJNEWJVYSG-ODLFYWEKSA-N 0 0 441.867 3.769 40 10 IHCBRN CNc1nc([C@H]2CCCN2Cc2ccc(N3CCCC3)c(C)c2)nc2c1CCN(C(C)=O)C2 ZINC000019707458 556867130 /nfs/dbraw/zinc/86/71/30/556867130.db2.gz NYFSKGILRJIVNC-XMMPIXPASA-N 0 0 448.615 3.669 40 10 IHCBRN COc1ccc(-n2c(C)cc(CN3CCc4c(=O)[nH]c(-c5ccccn5)nc4C3)c2C)cc1 ZINC000072336806 556909399 /nfs/dbraw/zinc/90/93/99/556909399.db2.gz YUZMYFQLQSTXDU-UHFFFAOYSA-N 0 0 441.535 3.806 40 10 IHCBRN COCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)ccc3OC)c2C)C(C(=O)OC)=C1C ZINC000409062328 556939941 /nfs/dbraw/zinc/93/99/41/556939941.db2.gz RXJIGAZHUYKIHJ-ZHZULCJRSA-N 0 0 438.524 3.730 40 10 IHCBRN COc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O ZINC000409104084 556952579 /nfs/dbraw/zinc/95/25/79/556952579.db2.gz IPOQPIWAXDWYLD-KGENOOAVSA-N 0 0 448.523 3.525 40 10 IHCBRN CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Br)c1O ZINC000409142936 556975486 /nfs/dbraw/zinc/97/54/86/556975486.db2.gz LYIRRKJKYNHROX-GDNBJRDFSA-N 0 0 447.310 3.954 40 10 IHCBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C1=O ZINC000409248760 557029431 /nfs/dbraw/zinc/02/94/31/557029431.db2.gz QFOVWGDCHVERDO-CPNJWEJPSA-N 0 0 428.510 3.954 40 10 IHCBRN COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)cc1Cl ZINC000409326341 557067366 /nfs/dbraw/zinc/06/73/66/557067366.db2.gz AOHSDYRXFSVJMR-RQZCQDPDSA-N 0 0 445.953 3.945 40 10 IHCBRN COC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409351334 557079031 /nfs/dbraw/zinc/07/90/31/557079031.db2.gz TXVPNAATCDVISA-CXUHLZMHSA-N 0 0 430.463 3.552 40 10 IHCBRN COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)c1 ZINC000106763025 557161221 /nfs/dbraw/zinc/16/12/21/557161221.db2.gz RKYNZGZCUKLPJX-NDENLUEZSA-N 0 0 439.537 3.761 40 10 IHCBRN C[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000260511899 557167143 /nfs/dbraw/zinc/16/71/43/557167143.db2.gz SWUSQRDYICUQDV-MSOLQXFVSA-N 0 0 429.586 3.810 40 10 IHCBRN C[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218342584 557193845 /nfs/dbraw/zinc/19/38/45/557193845.db2.gz VQJAUUOUBLNVQF-QZTJIDSGSA-N 0 0 429.586 3.810 40 10 IHCBRN O=C(COC(=O)c1sccc1-n1cnnn1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000032912292 557317465 /nfs/dbraw/zinc/31/74/65/557317465.db2.gz FBZKLBQIBHYTNU-WCWDXBQESA-N 0 0 433.453 3.935 40 10 IHCBRN C[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222422417 557339485 /nfs/dbraw/zinc/33/94/85/557339485.db2.gz SWUSQRDYICUQDV-QZTJIDSGSA-N 0 0 429.586 3.810 40 10 IHCBRN C[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000222422265 557339500 /nfs/dbraw/zinc/33/95/00/557339500.db2.gz KOVKBVCQFIDUIQ-GOSISDBHSA-N 0 0 429.586 3.810 40 10 IHCBRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccccc1F ZINC000013566413 557344543 /nfs/dbraw/zinc/34/45/43/557344543.db2.gz VUPGHZBHMCGWAX-UHFFFAOYSA-N 0 0 444.440 3.616 40 10 IHCBRN CN(c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(Cl)c1)S(C)(=O)=O ZINC000222519988 557347025 /nfs/dbraw/zinc/34/70/25/557347025.db2.gz RJILHZKLMOSWLN-UHFFFAOYSA-N 0 0 435.977 3.656 40 10 IHCBRN CCOc1cccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(C)=C2C(=O)OC)c1O ZINC000014414356 557445401 /nfs/dbraw/zinc/44/54/01/557445401.db2.gz RRTPZWOFNDGKLE-HKWRFOASSA-N 0 0 437.492 3.715 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000223880179 557524821 /nfs/dbraw/zinc/52/48/21/557524821.db2.gz GXVSQFFVBDFMEK-UHFFFAOYSA-N 0 0 435.565 3.535 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000224520956 557616036 /nfs/dbraw/zinc/61/60/36/557616036.db2.gz HAUCCISXSJNISW-LJQANCHMSA-N 0 0 431.602 3.621 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000224521006 557616071 /nfs/dbraw/zinc/61/60/71/557616071.db2.gz HAUCCISXSJNISW-IBGZPJMESA-N 0 0 431.602 3.621 40 10 IHCBRN O=C(c1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1)N1CCCCC1 ZINC000225422059 557721450 /nfs/dbraw/zinc/72/14/50/557721450.db2.gz OXQQPKBTJFCXNL-UHFFFAOYSA-N 0 0 438.597 3.636 40 10 IHCBRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(N2CCCCC2)cc1 ZINC000225681660 557762272 /nfs/dbraw/zinc/76/22/72/557762272.db2.gz LORHRABRFJCWQV-HNNXBMFYSA-N 0 0 431.583 3.630 40 10 IHCBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 ZINC000059138889 557816498 /nfs/dbraw/zinc/81/64/98/557816498.db2.gz IEQKCCFEHPTDKP-QGOAFFKASA-N 0 0 447.403 3.872 40 10 IHCBRN CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(=CNc2cccc(OC)c2)SC1=S ZINC000256055385 568663324 /nfs/dbraw/zinc/66/33/24/568663324.db2.gz FBCKSQWTGQICCU-OWBBTNHHSA-N 0 0 442.562 3.983 40 10 IHCBRN CCN1CCc2cc(CN3CCO[C@@H](c4cc(CCOc5ccccc5)n(C)n4)C3)ccc21 ZINC000257249188 568688137 /nfs/dbraw/zinc/68/81/37/568688137.db2.gz JHEZERMEZXNXBL-HHHXNRCGSA-N 0 0 446.595 3.998 40 10 IHCBRN COc1ccc(N2CC[C@@H](O)[C@H]([C@H](Nc3ccc4c(c3)CCN4C(C)=O)C(C)C)C2)cc1 ZINC000257283347 568703625 /nfs/dbraw/zinc/70/36/25/568703625.db2.gz OXXCSAAHYWWSEM-LGPLSSKUSA-N 0 0 437.584 3.928 40 10 IHCBRN COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@@H](Cc2ccc3cc[nH]c3n2)C1 ZINC000257300179 568711361 /nfs/dbraw/zinc/71/13/61/568711361.db2.gz RTFRMXNZGJOKPN-IBGZPJMESA-N 0 0 448.567 3.893 40 10 IHCBRN O=C(CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)Nc1ccc(Cl)cc1O ZINC000054360752 568940499 /nfs/dbraw/zinc/94/04/99/568940499.db2.gz VLZDXWLGMBQXFZ-SXGWCWSVSA-N 0 0 434.926 3.981 40 10 IHCBRN CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000013672528 132352973 /nfs/dbraw/zinc/35/29/73/132352973.db2.gz RKIXGGCEZOZXQN-UHFFFAOYSA-N 0 0 447.576 3.679 40 10 IHCBRN COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000041078340 521959631 /nfs/dbraw/zinc/95/96/31/521959631.db2.gz MYPRNEZIRFGJRF-SKHKCXQESA-N 0 0 434.408 3.633 40 10 IHCBRN COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1Cc1ccc(N(C)C)cc1 ZINC000012490124 523807492 /nfs/dbraw/zinc/80/74/92/523807492.db2.gz SNTLKTABKXCSED-QFIPXVFZSA-N 0 0 438.959 3.751 40 10 biogenic,in-vitro IHCBRN C[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000022363378 524948408 /nfs/dbraw/zinc/94/84/08/524948408.db2.gz MUJIVKGDYVXMGV-SFHVURJKSA-N 0 0 447.576 3.705 40 10 IHCBRN C[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000022335325 524948971 /nfs/dbraw/zinc/94/89/71/524948971.db2.gz XDUXXCONYUEREH-SFHVURJKSA-N 0 0 447.576 3.705 40 10 IHCBRN C[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000022335321 525099420 /nfs/dbraw/zinc/09/94/20/525099420.db2.gz XDUXXCONYUEREH-GOSISDBHSA-N 0 0 447.576 3.705 40 10 IHCBRN COc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2)c1 ZINC000041082692 526231083 /nfs/dbraw/zinc/23/10/83/526231083.db2.gz ODIBNIDKEGVJFE-IYLIDVPDSA-N 0 0 433.464 3.993 40 10 IHCBRN O=C1N=C(Nc2ccc(F)cc2)SC1=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000016428602 527045249 /nfs/dbraw/zinc/04/52/49/527045249.db2.gz VXPKYCFBIQIJOU-LDADJPATSA-N 0 0 428.445 3.653 40 10 IHCBRN O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NC1=NCCS1 ZINC000001183227 555672852 /nfs/dbraw/zinc/67/28/52/555672852.db2.gz QOVSDFNEUDPBDA-JLHYYAGUSA-N 0 0 425.988 3.540 40 10 IHCBRN CC(C)N1C(=O)/C(=C/c2ccccc2OCC(=O)NCc2ccccc2)SC1=S ZINC000408578150 555929483 /nfs/dbraw/zinc/92/94/83/555929483.db2.gz WDQWEAXTJCHMDQ-UNOMPAQXSA-N 0 0 426.563 3.991 40 10 IHCBRN CCN(CC)c1ccc([C@@H]2N(C(C)=O)[C@@H](C)CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005947600 556070450 /nfs/dbraw/zinc/07/04/50/556070450.db2.gz QVMGUASGLKUQHE-MBSDFSHPSA-N 0 0 429.586 3.781 40 10 IHCBRN COc1ccc(CCN2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1OC ZINC000008821652 556223329 /nfs/dbraw/zinc/22/33/29/556223329.db2.gz OWRWPPUNYOSFGC-ZCXUNETKSA-N 0 0 444.509 3.609 40 10 IHCBRN CCOc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1OC ZINC000009188900 556252078 /nfs/dbraw/zinc/25/20/78/556252078.db2.gz XXQCNTMLBBCOFS-JWGURIENSA-N 0 0 437.565 3.882 40 10 IHCBRN CCOc1ccccc1NC(=O)COc1ccc(C=C2SC(=S)NC2=O)cc1OC ZINC000039794054 556437837 /nfs/dbraw/zinc/43/78/37/556437837.db2.gz GWPPQETVHIDXRG-WQRHYEAKSA-N 0 0 444.534 3.600 40 10 IHCBRN CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC000015135125 556505865 /nfs/dbraw/zinc/50/58/65/556505865.db2.gz SACMDQNVPNQMQF-UHFFFAOYSA-N 0 0 427.501 3.623 40 10 IHCBRN CCN1C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)SC1=S ZINC000032109494 556530063 /nfs/dbraw/zinc/53/00/63/556530063.db2.gz KLHONSCMWFQHRB-ATVHPVEESA-N 0 0 435.548 3.684 40 10 IHCBRN Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000013670264 556551318 /nfs/dbraw/zinc/55/13/18/556551318.db2.gz UGSCCEHGBAYXRL-UHFFFAOYSA-N 0 0 441.597 3.700 40 10 IHCBRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000013675787 556554146 /nfs/dbraw/zinc/55/41/46/556554146.db2.gz SXPXQFLKQNRWCE-UHFFFAOYSA-N 0 0 449.576 3.799 40 10 IHCBRN O=C(COc1ccc(C=C2SC(=S)NC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408760819 556687498 /nfs/dbraw/zinc/68/74/98/556687498.db2.gz ADDMVMHAHFKWCS-DHDCSXOGSA-N 0 0 449.351 3.955 40 10 IHCBRN C[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260453214 556720153 /nfs/dbraw/zinc/72/01/53/556720153.db2.gz GNVDLYQSKDTHIG-ROUUACIJSA-N 0 0 429.586 3.810 40 10 IHCBRN C[C@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260455452 556720392 /nfs/dbraw/zinc/72/03/92/556720392.db2.gz RQFGJENRCZVHPB-ROUUACIJSA-N 0 0 447.576 3.705 40 10 IHCBRN C[C@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466360 556721655 /nfs/dbraw/zinc/72/16/55/556721655.db2.gz RPFKXUZKTUVFRE-OALUTQOASA-N 0 0 429.586 3.566 40 10 IHCBRN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 ZINC000000906916 556743671 /nfs/dbraw/zinc/74/36/71/556743671.db2.gz RERNFNRMPSSPQH-UHFFFAOYSA-N 0 0 436.449 3.909 40 10 IHCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1Cc1ccccc1Cl ZINC000408874612 556876087 /nfs/dbraw/zinc/87/60/87/556876087.db2.gz CMWSZVNLXVUTFD-UHFFFAOYSA-N 0 0 435.730 3.608 40 10 IHCBRN COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1sccc1C ZINC000408896282 556881240 /nfs/dbraw/zinc/88/12/40/556881240.db2.gz XIAIVATVICGXBE-LGMDPLHJSA-N 0 0 427.522 3.989 40 10 IHCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000409071401 556945824 /nfs/dbraw/zinc/94/58/24/556945824.db2.gz REPKRLJTUUMOHN-RGVLZGJSSA-N 0 0 434.883 3.944 40 10 IHCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O ZINC000409103828 556952665 /nfs/dbraw/zinc/95/26/65/556952665.db2.gz ZDXWJNQMMUSOMO-LFMVTYOGSA-N 0 0 429.454 3.600 40 10 IHCBRN O=C1N/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000409100918 556955466 /nfs/dbraw/zinc/95/54/66/556955466.db2.gz XFENSLSNRSRHER-UNOMPAQXSA-N 0 0 432.307 3.923 40 10 IHCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(N)=O)c21 ZINC000409138279 556970684 /nfs/dbraw/zinc/97/06/84/556970684.db2.gz ZLMJTWFRJHCMEY-MFOYZWKCSA-N 0 0 425.535 3.683 40 10 IHCBRN NC(=O)COc1ccccc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O ZINC000409193611 556992916 /nfs/dbraw/zinc/99/29/16/556992916.db2.gz HUDVQKVCOCCUAL-OVCLIPMQSA-N 0 0 449.351 3.719 40 10 IHCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2F)C1=O ZINC000409243050 557032845 /nfs/dbraw/zinc/03/28/45/557032845.db2.gz UXADQPBCSVKFJS-FYJGNVAPSA-N 0 0 436.487 3.520 40 10 IHCBRN O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1C1CCCCC1 ZINC000409327965 557062364 /nfs/dbraw/zinc/06/23/64/557062364.db2.gz OKQGGGOCDGMQJK-QGOAFFKASA-N 0 0 433.555 3.965 40 10 IHCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC ZINC000409331460 557065187 /nfs/dbraw/zinc/06/51/87/557065187.db2.gz NDSWQRGELFMSQR-WQLSENKSSA-N 0 0 449.335 3.920 40 10 IHCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)cc1 ZINC000409341370 557068683 /nfs/dbraw/zinc/06/86/83/557068683.db2.gz BGVVHCHISBNRJC-LDADJPATSA-N 0 0 425.535 3.682 40 10 IHCBRN COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OC ZINC000409334815 557072117 /nfs/dbraw/zinc/07/21/17/557072117.db2.gz WIGOQLMMBRGTGP-WOJGMQOQSA-N 0 0 444.534 3.552 40 10 IHCBRN Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000100928905 557118674 /nfs/dbraw/zinc/11/86/74/557118674.db2.gz YGRSVIBUWOLDRY-FSSWDIPSSA-N 0 0 437.451 3.690 40 10 IHCBRN C[C@H](C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000218287670 557188236 /nfs/dbraw/zinc/18/82/36/557188236.db2.gz ZSNQXHCNDNDSPY-VQTJNVASSA-N 0 0 443.613 3.955 40 10 IHCBRN COc1ccc(N2CCN(C(=O)CCCN3c4cccc5cccc(c45)C3=O)CC2)cc1 ZINC000219458193 557250365 /nfs/dbraw/zinc/25/03/65/557250365.db2.gz NTQJSCQPGSKNGU-UHFFFAOYSA-N 0 0 429.520 3.938 40 10 IHCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)N21 ZINC000222681474 557373505 /nfs/dbraw/zinc/37/35/05/557373505.db2.gz LUSOUDBCKAUADL-TYCQWZJGSA-N 0 0 439.541 3.806 40 10 IHCBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2oc(=O)ccc2c1 ZINC000033544511 557410265 /nfs/dbraw/zinc/41/02/65/557410265.db2.gz XMOATIWFIZIWBZ-OQLLNIDSSA-N 0 0 428.516 3.694 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000223130706 557436255 /nfs/dbraw/zinc/43/62/55/557436255.db2.gz GSMHVBXWARTSBX-UHFFFAOYSA-N 0 0 429.586 3.637 40 10 IHCBRN CN(C)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000169682284 557460790 /nfs/dbraw/zinc/46/07/90/557460790.db2.gz PFRSABFPMWBXNL-TZRRMPRUSA-N 0 0 427.504 3.799 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000223382949 557465376 /nfs/dbraw/zinc/46/53/76/557465376.db2.gz NGZBEYFNOOWOIE-UHFFFAOYSA-N 0 0 443.613 3.779 40 10 IHCBRN CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000223466516 557475081 /nfs/dbraw/zinc/47/50/81/557475081.db2.gz LBAOPBBCXJCVNR-JOCHJYFZSA-N 0 0 431.602 3.702 40 10 IHCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C ZINC000223695088 557503112 /nfs/dbraw/zinc/50/31/12/557503112.db2.gz IMWDZKJAJOOVOU-DHIUTWEWSA-N 0 0 449.580 3.728 40 10 IHCBRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C ZINC000223695395 557503119 /nfs/dbraw/zinc/50/31/19/557503119.db2.gz YIYYHSIZDCECNF-PKTZIBPZSA-N 0 0 449.580 3.728 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 ZINC000195609650 557521187 /nfs/dbraw/zinc/52/11/87/557521187.db2.gz LPUGVMIBQJLKGB-OAQYLSRUSA-N 0 0 443.613 3.558 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000224419355 557604108 /nfs/dbraw/zinc/60/41/08/557604108.db2.gz AZQYUMMKXUOHRH-INIZCTEOSA-N 0 0 437.993 3.657 40 10 IHCBRN CN(C)c1ccc(CN(C)C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000224492364 557612412 /nfs/dbraw/zinc/61/24/12/557612412.db2.gz DRSDPFOLNUCACK-UHFFFAOYSA-N 0 0 437.565 3.850 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC000224698287 557641750 /nfs/dbraw/zinc/64/17/50/557641750.db2.gz FHDYXVAIAPYPIX-UHFFFAOYSA-N 0 0 443.613 3.946 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000225484546 557728528 /nfs/dbraw/zinc/72/85/28/557728528.db2.gz QIMWQXGSQNTJSD-UHFFFAOYSA-N 0 0 443.613 3.558 40 10 IHCBRN CCCn1c2ccc(S(=O)(=O)NCc3ccc(N4CCCCC4)cc3)cc2sc1=O ZINC000225728002 557769533 /nfs/dbraw/zinc/76/95/33/557769533.db2.gz WMNJZWWIQJMDDB-UHFFFAOYSA-N 0 0 445.610 3.942 40 10 IHCBRN CN1CCCc2cc(CN3CCO[C@@H](c4cccc(-c5cccc(C(N)=O)c5)n4)C3)ccc21 ZINC000257309455 568715189 /nfs/dbraw/zinc/71/51/89/568715189.db2.gz UBAAGVDAABAORA-AREMUKBSSA-N 0 0 442.563 3.803 40 10 IHCBRN CCN(CC)c1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc1 ZINC000261362487 568733022 /nfs/dbraw/zinc/73/30/22/568733022.db2.gz DKDNXHFRMSFGSL-JOCHJYFZSA-O 0 0 436.561 3.618 40 10 IHCBRN COc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c(OC)c1 ZINC000008821677 132294991 /nfs/dbraw/zinc/29/49/91/132294991.db2.gz UKSVNDJKHHVBKS-MOSHPQCFSA-N 0 0 427.501 3.635 40 10 IHCBRN COc1ccc(N2CCN([C@H](c3nnnn3Cc3cccs3)c3ccccc3)CC2)cc1 ZINC000013505242 132348883 /nfs/dbraw/zinc/34/88/83/132348883.db2.gz UGBAYMJDLDCSHY-QHCPKHFHSA-N 0 0 446.580 3.703 40 10 IHCBRN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000020793666 526907331 /nfs/dbraw/zinc/90/73/31/526907331.db2.gz JUPPABNEHAXHOT-ATIWSHOWSA-N 0 0 448.479 3.759 40 10 IHCBRN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc3c(c2)OCO3)c2ccccc12 ZINC000035145785 555897553 /nfs/dbraw/zinc/89/75/53/555897553.db2.gz UWPRXCMLPLEMHU-BKUYFWCQSA-N 0 0 437.455 3.880 40 10 IHCBRN COc1ccc(/C=C2\SC(=S)N(CC(=O)N(C)Cc3ccccc3)C2=O)cc1OC ZINC000008819427 556219188 /nfs/dbraw/zinc/21/91/88/556219188.db2.gz GXYGUXNWOADHHD-UNOMPAQXSA-N 0 0 442.562 3.564 40 10 IHCBRN Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3=NCCS3)C2=O)cc1 ZINC000008819801 556219817 /nfs/dbraw/zinc/21/98/17/556219817.db2.gz NNEBVVCOGYDPLQ-SSZFMOIBSA-N 0 0 433.624 3.976 40 10 IHCBRN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N(CCO)c1ccccc1 ZINC000008820478 556220484 /nfs/dbraw/zinc/22/04/84/556220484.db2.gz HLIMASGPZFBWRC-WAYKPHQQSA-N 0 0 438.574 3.860 40 10 IHCBRN CCc1nnc(NC(=O)CN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)s1 ZINC000008820641 556220823 /nfs/dbraw/zinc/22/08/23/556220823.db2.gz KJXNXKRTCWTEAP-FNIWZSMSSA-N 0 0 430.580 3.887 40 10 IHCBRN Cn1c(/C=C2/SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc2ccccc21 ZINC000008821936 556223880 /nfs/dbraw/zinc/22/38/80/556223880.db2.gz CYBBBEOZQZWDML-GZTJUZNOSA-N 0 0 438.490 3.633 40 10 IHCBRN COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000009188380 556251147 /nfs/dbraw/zinc/25/11/47/556251147.db2.gz WFTANJIHJLSNJM-UWVJOHFNSA-N 0 0 445.518 3.843 40 10 IHCBRN CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\NN1C(=O)c2cccc3cc(O)cc(c32)C1=O ZINC000016284811 556597446 /nfs/dbraw/zinc/59/74/46/556597446.db2.gz XOCPRPCIIMXINP-NDENLUEZSA-N 0 0 440.459 3.569 40 10 IHCBRN Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000018249840 556688276 /nfs/dbraw/zinc/68/82/76/556688276.db2.gz LLQLPNKAGQWUKU-FDFHNCONSA-N 0 0 437.451 3.690 40 10 IHCBRN C[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260453223 556720151 /nfs/dbraw/zinc/72/01/51/556720151.db2.gz GNVDLYQSKDTHIG-ZWKOTPCHSA-N 0 0 429.586 3.810 40 10 IHCBRN COc1ccc(-n2c(C)cc(CN(CCN3CCOCC3)Cc3cccnc3)c2C)cc1 ZINC000019567534 556807516 /nfs/dbraw/zinc/80/75/16/556807516.db2.gz VNNXHZPKZNDDDS-UHFFFAOYSA-N 0 0 434.584 3.832 40 10 IHCBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408774961 556848404 /nfs/dbraw/zinc/84/84/04/556848404.db2.gz DUBWZCCPAIDCSP-ODLFYWEKSA-N 0 0 440.883 3.660 40 10 IHCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)C(C(=O)OC)=C2C)cc1 ZINC000408895205 556880611 /nfs/dbraw/zinc/88/06/11/556880611.db2.gz UGUKDDJPBXOPNT-PDGQHHTCSA-N 0 0 438.436 3.879 40 10 IHCBRN CCOc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000409014634 556920551 /nfs/dbraw/zinc/92/05/51/556920551.db2.gz XSKPTTMGZOBJEL-CYVLTUHYSA-N 0 0 438.480 3.509 40 10 IHCBRN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1O ZINC000409021634 556922470 /nfs/dbraw/zinc/92/24/70/556922470.db2.gz RDIJRIYZWZDNFH-GDNBJRDFSA-N 0 0 429.856 3.940 40 10 IHCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(N2CCOCC2)o1 ZINC000409049897 556932539 /nfs/dbraw/zinc/93/25/39/556932539.db2.gz RGIQOQRGFIXFJO-DHZHZOJOSA-N 0 0 427.329 3.618 40 10 IHCBRN CCCN1C(=O)C(=Cc2cc(Br)cc(Br)c2OC)NC1=S ZINC000409089136 556951161 /nfs/dbraw/zinc/95/11/61/556951161.db2.gz HJLCIYMJGTXVMI-WDZFZDKYSA-N 0 0 434.153 3.688 40 10 IHCBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C ZINC000409056019 556933838 /nfs/dbraw/zinc/93/38/38/556933838.db2.gz FZAXITJVFMNEOV-MOSHPQCFSA-N 0 0 436.508 3.962 40 10 IHCBRN Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1Cc1ccccc1 ZINC000409214035 557008651 /nfs/dbraw/zinc/00/86/51/557008651.db2.gz XBMSPZIKNHIQBO-LPYMAVHISA-N 0 0 446.482 3.824 40 10 IHCBRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(N)=O ZINC000409216676 557011700 /nfs/dbraw/zinc/01/17/00/557011700.db2.gz NUJMIYMKJVUJPB-WOJGMQOQSA-N 0 0 428.535 3.664 40 10 IHCBRN COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000006144442 557012634 /nfs/dbraw/zinc/01/26/34/557012634.db2.gz NQUPGJZOCGMEGD-SGNDLWITSA-N 0 0 443.503 3.812 40 10 IHCBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 ZINC000409230654 557022240 /nfs/dbraw/zinc/02/22/40/557022240.db2.gz DXYFWUMZYMKMEV-HYARGMPZSA-N 0 0 429.476 3.974 40 10 IHCBRN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000409250655 557030765 /nfs/dbraw/zinc/03/07/65/557030765.db2.gz RNYRVCMFRNVDBT-LPYMAVHISA-N 0 0 428.492 3.594 40 10 IHCBRN NC(=O)COc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000409339009 557074071 /nfs/dbraw/zinc/07/40/71/557074071.db2.gz DCKTYUGJVXDYLK-OQLLNIDSSA-N 0 0 449.351 3.719 40 10 IHCBRN COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2cc(Br)ccc2OC)c1 ZINC000021124301 557135944 /nfs/dbraw/zinc/13/59/44/557135944.db2.gz UZOUTCYQNPZPOZ-FPYGCLRLSA-N 0 0 447.329 3.955 40 10 IHCBRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)S(C)(=O)=O)cc1 ZINC000218233774 557183759 /nfs/dbraw/zinc/18/37/59/557183759.db2.gz YDJUCTVNVFMXJP-UXHICEINSA-N 0 0 443.613 3.875 40 10 IHCBRN COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2cccc3n[nH]cc32)C1 ZINC000585262008 557198034 /nfs/dbraw/zinc/19/80/34/557198034.db2.gz VHOXLLQBHSHQGK-LJQANCHMSA-N 0 0 448.567 3.893 40 10 IHCBRN COc1ccc(N2CCCCC2)cc1C(=O)N1CCOC[C@H](Cc2ccc3nccn3c2)C1 ZINC000585261992 557198066 /nfs/dbraw/zinc/19/80/66/557198066.db2.gz MECYUAFWTNMDGY-OAQYLSRUSA-N 0 0 448.567 3.665 40 10 IHCBRN O=C1c2ccccc2C(=O)C12O[C@@H](c1cccc(F)c1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000100368508 557259202 /nfs/dbraw/zinc/25/92/02/557259202.db2.gz SODOYIODHLUREF-HKBOAZHASA-N 0 0 447.462 3.649 40 10 IHCBRN Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=N[C@H]2c1ccccc1O ZINC000104280033 557324015 /nfs/dbraw/zinc/32/40/15/557324015.db2.gz UBSLMWUFRAWLHW-HSZRJFAPSA-N 0 0 429.524 3.540 40 10 IHCBRN C[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000222422332 557339450 /nfs/dbraw/zinc/33/94/50/557339450.db2.gz KOVKBVCQFIDUIQ-SFHVURJKSA-N 0 0 429.586 3.810 40 10 IHCBRN CN(C)c1ccc([C@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)cc1 ZINC000101128672 557346721 /nfs/dbraw/zinc/34/67/21/557346721.db2.gz GMHYZXHTYPNJHQ-SMIHKQSGSA-N 0 0 432.568 3.500 40 10 IHCBRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C ZINC000223660411 557498699 /nfs/dbraw/zinc/49/86/99/557498699.db2.gz WRUKNIPKCDOPLL-FGZHOGPDSA-N 0 0 449.580 3.728 40 10 IHCBRN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1ccc(Cl)cc1 ZINC000019634984 557502508 /nfs/dbraw/zinc/50/25/08/557502508.db2.gz WOTJLXONRMHYKV-JCMHNJIXSA-N 0 0 441.915 3.721 40 10 IHCBRN CCCCCCN1c2ccccc2/C(=C2/SC(=S)N(CC(=O)OCC)C2=O)C1=O ZINC000027563164 557606029 /nfs/dbraw/zinc/60/60/29/557606029.db2.gz OQYPREASEAOJEP-ZCXUNETKSA-N 0 0 432.567 3.748 40 10 IHCBRN CCN(CC)c1ccc(CNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 ZINC000225336365 557712275 /nfs/dbraw/zinc/71/22/75/557712275.db2.gz RKEZNJBPZNSUEE-UHFFFAOYSA-N 0 0 431.602 3.540 40 10 IHCBRN C[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000225627238 557753970 /nfs/dbraw/zinc/75/39/70/557753970.db2.gz DDTKNOFOBALNFZ-AUSIDOKSSA-N 0 0 443.613 3.733 40 10 IHCBRN C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000225627271 557753975 /nfs/dbraw/zinc/75/39/75/557753975.db2.gz DDTKNOFOBALNFZ-WMZHIEFXSA-N 0 0 443.613 3.733 40 10 IHCBRN C[C@@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCCC2)cc1 ZINC000225695239 557765342 /nfs/dbraw/zinc/76/53/42/557765342.db2.gz HQWOBLRYGWBPFG-MRXNPFEDSA-N 0 0 432.615 3.730 40 10 IHCBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 ZINC000059138951 557816477 /nfs/dbraw/zinc/81/64/77/557816477.db2.gz MFQCFQCMFQCYRF-QGOAFFKASA-N 0 0 447.403 3.872 40 10 IHCBRN CCCCCCN1c2ccccc2/C(=C2/SC(=S)N([C@H](C)C(=O)OC)C2=O)C1=O ZINC000027563182 568863896 /nfs/dbraw/zinc/86/38/96/568863896.db2.gz CXIZCCQZEWMMSG-VLUKHXRESA-N 0 0 432.567 3.746 40 10 IHCBRN COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)N21 ZINC000103521660 568897245 /nfs/dbraw/zinc/89/72/45/568897245.db2.gz SWLLMWRMWZRRET-GXRSIYKFSA-N 0 0 448.494 3.839 40 10 IHCBRN COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)N21 ZINC000103524045 568897258 /nfs/dbraw/zinc/89/72/58/568897258.db2.gz KTWZKNQVFJGNCP-GXRSIYKFSA-N 0 0 436.552 3.828 40 10 IHCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCN(c2ccccc2)CC1 ZINC000001266427 569211123 /nfs/dbraw/zinc/21/11/23/569211123.db2.gz XCWPISJQOJOVBF-VIBAAIGISA-N 0 0 449.601 3.793 40 10 IHCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C2=O)o1 ZINC000108225198 569252810 /nfs/dbraw/zinc/25/28/10/569252810.db2.gz RPPUFPDOZGNCLQ-WQRHYEAKSA-N 0 0 437.427 3.706 40 10 IHCBRN Cc1ccccc1N(CC(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1)S(C)(=O)=O ZINC000022327058 569259127 /nfs/dbraw/zinc/25/91/27/569259127.db2.gz GKXMMMDLSYELMJ-AZUAARDMSA-N 0 0 443.613 3.875 40 10 IHCBRN