smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1c2ccccc2/C(=C\C(=O)c2ccc3ccccc3c2)C1=O ZINC000096838459 185388985 /nfs/dbraw/zinc/38/89/85/185388985.db2.gz XPBYSKLMIWRECP-QGOAFFKASA-N 0 0 313.356 4.083 10 30 DIEERN CN(C)c1ccc(/C=C/c2nc3cccc(C#N)c3s2)cc1 ZINC000090567895 185304055 /nfs/dbraw/zinc/30/40/55/185304055.db2.gz MEMYVQYLASALTE-DHZHZOJOSA-N 0 0 305.406 4.404 10 30 DIEERN N#Cc1c(F)cccc1Oc1ccc(-c2ccc(F)cc2)nn1 ZINC000133518844 334957795 /nfs/dbraw/zinc/95/77/95/334957795.db2.gz PAPUNOQWCUVRHY-UHFFFAOYSA-N 0 0 309.275 4.086 10 30 DIEERN N#Cc1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC000000166644 180712755 /nfs/dbraw/zinc/71/27/55/180712755.db2.gz ZPSNEQNGQDETFA-UHFFFAOYSA-N 0 0 309.550 4.161 10 30 DIEERN CC(C)C(Cl)=NOC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000073314193 191303778 /nfs/dbraw/zinc/30/37/78/191303778.db2.gz SBOFGAVSIVHESL-ZDLGFXPLSA-N 0 0 308.687 4.462 10 30 DIEERN CCN(CC)c1ccc(C=Nc2cccc(C(C)=O)c2)c(O)c1 ZINC000005227587 181219268 /nfs/dbraw/zinc/21/92/68/181219268.db2.gz QMMVKNMSOFNQHP-DEDYPNTBSA-N 0 0 310.397 4.192 10 30 DIEERN C=CCSc1nc(=O)c2c([nH]1)sc(C)c2-c1ccccc1 ZINC000005237567 181219662 /nfs/dbraw/zinc/21/96/62/181219662.db2.gz BVLIYVLEPKSUQZ-UHFFFAOYSA-N 0 0 314.435 4.238 10 30 DIEERN C=CCC(CC=C)(c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000005377200 181236331 /nfs/dbraw/zinc/23/63/31/181236331.db2.gz GSNLRKMKDBWFEI-UHFFFAOYSA-N 0 0 317.388 4.330 10 30 DIEERN C/C(=N\NC(=S)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000005282583 181225826 /nfs/dbraw/zinc/22/58/26/181225826.db2.gz ZLABARYHLUUQBO-XSFVSMFZSA-N 0 0 308.450 4.255 10 30 DIEERN C[C@H]1CCc2c(sc3ncnc(SCCCC#N)c23)C1 ZINC000005334112 181230988 /nfs/dbraw/zinc/23/09/88/181230988.db2.gz ABSVSKPIJKGJAN-JTQLQIEISA-N 0 0 303.456 4.212 10 30 DIEERN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O ZINC000005764667 181281466 /nfs/dbraw/zinc/28/14/66/181281466.db2.gz HATZJFPRGPQCFC-ZDLGFXPLSA-N 0 0 307.349 4.043 10 30 DIEERN N#Cc1c(Cl)nsc1N=NCc1cccc2ccccc21 ZINC000005777290 181282958 /nfs/dbraw/zinc/28/29/58/181282958.db2.gz ACXVXPVWDZIPJY-GIJQJNRQSA-N 0 0 312.785 4.267 10 30 DIEERN Cc1cc(C)c2c(c1)C(N=Nc1ccccc1[N+](=O)[O-])CCC2 ZINC000005781589 181283611 /nfs/dbraw/zinc/28/36/11/181283611.db2.gz AYUUIMRMIIGJEL-KNTRCKAVSA-N 0 0 309.369 4.364 10 30 DIEERN Cc1cc(C)c2c(c1)C(N=Nc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000005786368 181283724 /nfs/dbraw/zinc/28/37/24/181283724.db2.gz DAYDZEWVBVWFTP-CZIZESTLSA-N 0 0 309.369 4.364 10 30 DIEERN CC(=O)C(=NNc1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000005789429 181284363 /nfs/dbraw/zinc/28/43/63/181284363.db2.gz KGYIBQHMOPIEHJ-UHFFFAOYSA-N 0 0 322.195 4.229 10 30 DIEERN O=[N+]([O-])c1ccccc1CC=CN=Nc1nc2ccccc2s1 ZINC000006438438 181341435 /nfs/dbraw/zinc/34/14/35/181341435.db2.gz RVUWYJDSCGQYAE-FFBCGVJLSA-N 0 0 324.365 4.316 10 30 DIEERN CC(C)c1nc(C#N)c(N=NCc2cccc3ccccc32)o1 ZINC000006633912 181363167 /nfs/dbraw/zinc/36/31/67/181363167.db2.gz WWMWITRKUFKCLH-RGVLZGJSSA-N 0 0 304.353 4.269 10 30 DIEERN COc1cc(C=NNc2ccc(C)c(Cl)c2)cc(OC)c1 ZINC000006674009 181369316 /nfs/dbraw/zinc/36/93/16/181369316.db2.gz ZYHJAEYLRITTEX-VCHYOVAHSA-N 0 0 304.777 4.112 10 30 DIEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000191470101 334997178 /nfs/dbraw/zinc/99/71/78/334997178.db2.gz QJGMVHIFWNLYFU-RHSMWYFYSA-N 0 0 316.445 4.228 10 30 DIEERN CC(=O)c1ccc2ncc(C#N)c(Nc3ccc(C)cc3)c2c1 ZINC000261508400 203073193 /nfs/dbraw/zinc/07/31/93/203073193.db2.gz RZAGQQPEYZLXJQ-UHFFFAOYSA-N 0 0 301.349 4.361 10 30 DIEERN CC(=O)Nc1ccc(C=NNc2ccc(C)c(Cl)c2)cc1 ZINC000007941479 181509734 /nfs/dbraw/zinc/50/97/34/181509734.db2.gz NJADSPAGWYTNFH-VCHYOVAHSA-N 0 0 301.777 4.053 10 30 DIEERN C=CCOc1ccccc1NC(=O)c1ccccc1OC(C)C ZINC000009816096 181641218 /nfs/dbraw/zinc/64/12/18/181641218.db2.gz KFVLGPGRJNXNKD-UHFFFAOYSA-N 0 0 311.381 4.291 10 30 DIEERN CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000009866968 181644556 /nfs/dbraw/zinc/64/45/56/181644556.db2.gz BUIYXCFGJSOHSE-GJZGRUSLSA-N 0 0 322.408 4.478 10 30 DIEERN Cc1cc(CN=Nc2ccccc2[N+](=O)[O-])c(C)n1CC(C)C ZINC000014165368 181932092 /nfs/dbraw/zinc/93/20/92/181932092.db2.gz ATPICXSTTBQGFF-VCHYOVAHSA-N 0 0 314.389 4.115 10 30 DIEERN C/C(=N\O)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000019809193 182152483 /nfs/dbraw/zinc/15/24/83/182152483.db2.gz PYEXHRZIAUAERB-GZTJUZNOSA-N 0 0 320.186 4.226 10 30 DIEERN C/C(=N\O)c1ccccc1OCc1ccccc1Br ZINC000019809261 182152960 /nfs/dbraw/zinc/15/29/60/182152960.db2.gz TTWLFZQBHYFVCQ-GZTJUZNOSA-N 0 0 320.186 4.226 10 30 DIEERN C[C@H](Nc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000019922051 182164219 /nfs/dbraw/zinc/16/42/19/182164219.db2.gz DYNFTVRKKQFUBU-NSHDSACASA-N 0 0 301.187 4.494 10 30 DIEERN C[C@@H](Nc1ccccc1C#N)c1ccccc1Br ZINC000019921580 182164524 /nfs/dbraw/zinc/16/45/24/182164524.db2.gz JCSGJWGDRWBFMF-LLVKDONJSA-N 0 0 301.187 4.494 10 30 DIEERN C[C@H]1CCc2c(sc3ncnc(Nc4ccccc4C#N)c32)C1 ZINC000019950692 182169541 /nfs/dbraw/zinc/16/95/41/182169541.db2.gz WBPXBARNYLUKBE-NSHDSACASA-N 0 0 320.421 4.431 10 30 DIEERN C[C@@H]1CCc2c(sc3ncnc(Nc4ccccc4C#N)c32)C1 ZINC000019950688 182169661 /nfs/dbraw/zinc/16/96/61/182169661.db2.gz WBPXBARNYLUKBE-LLVKDONJSA-N 0 0 320.421 4.431 10 30 DIEERN C[C@@H]1CCc2c(sc3ncnc(Nc4cccc(C#N)c4)c32)C1 ZINC000019957509 182170226 /nfs/dbraw/zinc/17/02/26/182170226.db2.gz DZXPTMFZBOZDHP-LLVKDONJSA-N 0 0 320.421 4.431 10 30 DIEERN C[C@H]1CCc2c(sc3ncnc(Nc4cccc(C#N)c4)c32)C1 ZINC000019957513 182170352 /nfs/dbraw/zinc/17/03/52/182170352.db2.gz DZXPTMFZBOZDHP-NSHDSACASA-N 0 0 320.421 4.431 10 30 DIEERN N#Cc1c(=O)n(C/C=C\c2ccccc2)ccc1-c1cccs1 ZINC000033337262 182706013 /nfs/dbraw/zinc/70/60/13/182706013.db2.gz WPUYXJZBWYVMDU-YWEYNIOJSA-N 0 0 318.401 4.162 10 30 DIEERN N#C[C@H](Nc1ccccc1Br)c1ccc(F)cc1F ZINC000037938442 182940551 /nfs/dbraw/zinc/94/05/51/182940551.db2.gz YLBUADZXWQSZQJ-AWEZNQCLSA-N 0 0 323.140 4.404 10 30 DIEERN O=C1c2ccccc2C(=O)C(Sc2ccccc2)=C1Cl ZINC000040913793 183148467 /nfs/dbraw/zinc/14/84/67/183148467.db2.gz PZEJBCOFYTWHHX-UHFFFAOYSA-N 0 0 300.766 4.308 10 30 DIEERN Cc1ccc(NC(=O)[C@H](C)SCc2ccc(C#N)cc2)cc1 ZINC000058236062 184092865 /nfs/dbraw/zinc/09/28/65/184092865.db2.gz WWXYBQVKAKBDJZ-AWEZNQCLSA-N 0 0 310.422 4.127 10 30 DIEERN CCCCCCC1=C/C(=N/C#N)C(Br)=C/C1=N/C#N ZINC000100112291 256560478 /nfs/dbraw/zinc/56/04/78/256560478.db2.gz WQEVWMMKQKXZRU-SXQSXHJWSA-N 0 0 319.206 4.020 10 30 DIEERN C[C@]1(C=O)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C[C@@H]4CO)CC[C@H]12 ZINC000252504350 256611955 /nfs/dbraw/zinc/61/19/55/256611955.db2.gz ACXLVKYMISNUFD-VGWIFYLRSA-N 0 0 304.474 4.207 10 30 endogenous,in-man DIEERN COc1ccc(C(C)=O)cc1CO/N=C/c1ccccc1Cl ZINC000003334718 331479849 /nfs/dbraw/zinc/47/98/49/331479849.db2.gz ADMAEOSLHMZAQG-VXLYETTFSA-N 0 0 317.772 4.102 10 30 DIEERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(Cl)s1 ZINC000035252206 331490223 /nfs/dbraw/zinc/49/02/23/331490223.db2.gz XJQLRBWYHAATHG-MRVPVSSYSA-N 0 0 307.762 4.354 10 30 DIEERN C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cccc(Cl)c1 ZINC000127782881 332008066 /nfs/dbraw/zinc/00/80/66/332008066.db2.gz DIVGBVCIDOHYQH-JTQLQIEISA-N 0 0 301.733 4.293 10 30 DIEERN C#Cc1cccc(NC(=O)N2CCCC[C@H]2c2ccc(C)o2)c1 ZINC000154462996 332433790 /nfs/dbraw/zinc/43/37/90/332433790.db2.gz TWBVIUXBZCRIMI-KRWDZBQOSA-N 0 0 308.381 4.328 10 30 DIEERN Cc1ccccc1C1(C(=O)N[C@@H]2CCC[C@H]2C#N)CCCCC1 ZINC000408338910 332481701 /nfs/dbraw/zinc/48/17/01/332481701.db2.gz MWDKWDJSHHPRBB-FUHWJXTLSA-N 0 0 310.441 4.005 10 30 DIEERN COc1ccc([C@H](C)CNc2ccccc2O[C@H](C)C#N)cc1 ZINC000181131878 333167655 /nfs/dbraw/zinc/16/76/55/333167655.db2.gz YCSRHBYULRMBIL-HUUCEWRRSA-N 0 0 310.397 4.202 10 30 DIEERN C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000182143926 333176298 /nfs/dbraw/zinc/17/62/98/333176298.db2.gz JRELXNCFBJXDIN-FVQBIDKESA-N 0 0 312.413 4.132 10 30 DIEERN Cc1ccc2nc(C)c(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)cc2c1 ZINC000116811927 333188957 /nfs/dbraw/zinc/18/89/57/333188957.db2.gz HAEMVHFVSZKCEY-VBKZILBWSA-N 0 0 321.424 4.054 10 30 DIEERN Cc1ccc(C[C@H](C)NC(=O)C[C@@H]2CCCCC(=O)N2)s1 ZINC000328649718 334745611 /nfs/dbraw/zinc/74/56/11/334745611.db2.gz ISWSEQUZRFXXIV-AAEUAGOBSA-N 0 0 308.447 4.233 10 30 DIEERN CC[C@H](OC1CCCCC1)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328737085 334750827 /nfs/dbraw/zinc/75/08/27/334750827.db2.gz KAQWJVBIYAGMSN-GJZGRUSLSA-N 0 0 322.449 4.112 10 30 DIEERN O=C(C[C@@H]1CCCCNC1=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000328774618 334753640 /nfs/dbraw/zinc/75/36/40/334753640.db2.gz KILAMAWJHKLTDZ-SWLSCSKDSA-N 0 0 320.820 4.431 10 30 DIEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@@H]1CCCc2ccccc21 ZINC000328792033 334757324 /nfs/dbraw/zinc/75/73/24/334757324.db2.gz RGORKAZMOPJCNF-HOTGVXAUSA-N 0 0 314.429 4.210 10 30 DIEERN C[C@@H]1CC(=O)N[C@H](C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000328906947 334767500 /nfs/dbraw/zinc/76/75/00/334767500.db2.gz LDMSIOWUHSZIBS-YFKTTZPYSA-N 0 0 320.355 4.067 10 30 DIEERN Cc1nc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c(-c2ccccc2)s1 ZINC000329411416 335973511 /nfs/dbraw/zinc/97/35/11/335973511.db2.gz DFGMVCFILRVPTK-ZIAGYGMSSA-N 0 0 311.410 4.115 10 30 DIEERN C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000329526562 335989335 /nfs/dbraw/zinc/98/93/35/335989335.db2.gz HOQPZNCLFVNKOT-VDHUWJSZSA-N 0 0 311.429 4.066 10 30 DIEERN Cc1ncsc1NC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000329558821 335993723 /nfs/dbraw/zinc/99/37/23/335993723.db2.gz IFEZQQVUGDVHAA-KBPBESRZSA-N 0 0 302.399 4.207 10 30 DIEERN O=C(N[C@@H]1CCCc2cc(F)ccc21)c1conc1C1CC1 ZINC000329587843 335998314 /nfs/dbraw/zinc/99/83/14/335998314.db2.gz SDNFGIZSJDOJJH-OAHLLOKOSA-N 0 0 300.333 4.073 10 30 DIEERN CCC1CCC(N(C(=O)N[C@@H]2CCC[C@H]2C#N)C2CC2)CC1 ZINC000329646120 336026358 /nfs/dbraw/zinc/02/63/58/336026358.db2.gz IVIQXVHYQAQECD-KXJMLMMSSA-N 0 0 303.450 4.026 10 30 DIEERN CC(C)[C@H]1CCO[C@H]1C(=O)Nc1cc2c(cc1Cl)CCC2=O ZINC000329667336 336034230 /nfs/dbraw/zinc/03/42/30/336034230.db2.gz RLKGPCIBIKNOIV-BDJLRTHQSA-N 0 0 321.804 4.118 10 30 DIEERN O=C(Nc1ccc(F)c(C2CC2)c1)c1ncoc1[C@H]1CCCO1 ZINC000329805267 336084092 /nfs/dbraw/zinc/08/40/92/336084092.db2.gz MVAOLIFLEBTZEO-CQSZACIVSA-N 0 0 316.332 4.179 10 30 DIEERN CCO[C@@H]1C[C@H](NC(=O)[C@@H](c2ccncc2)C(C)C)C12CCC2 ZINC000329880461 336091849 /nfs/dbraw/zinc/09/18/49/336091849.db2.gz NOMIKRLMSLLRAP-GVDBMIGSSA-N 0 0 316.445 4.125 10 30 DIEERN CCO[C@@H]1C[C@H](NC(=O)[C@H](c2ccncc2)C(C)C)C12CCC2 ZINC000329880460 336091874 /nfs/dbraw/zinc/09/18/74/336091874.db2.gz NOMIKRLMSLLRAP-BBWFWOEESA-N 0 0 316.445 4.125 10 30 DIEERN Cc1cnc([C@@H](C)NC(=O)N2CCCC3(CCCCC3)CC2)o1 ZINC000329889244 336092605 /nfs/dbraw/zinc/09/26/05/336092605.db2.gz ZXMBEMMEFYACBL-OAHLLOKOSA-N 0 0 319.449 4.394 10 30 DIEERN O=C(CC1(O)CCCC1)Nc1ccccc1NC1CCCC1 ZINC000330105484 336113843 /nfs/dbraw/zinc/11/38/43/336113843.db2.gz JMWMBJSAZCHMQJ-UHFFFAOYSA-N 0 0 302.418 4.324 10 30 DIEERN O=C(N[C@@H]1CCCc2c(O)cccc21)c1cccnc1C1CC1 ZINC000330145086 336117836 /nfs/dbraw/zinc/11/78/36/336117836.db2.gz KZWNKWHLFAMYEI-MRXNPFEDSA-N 0 0 308.381 4.047 10 30 DIEERN CC1CC(NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000330160380 336119358 /nfs/dbraw/zinc/11/93/58/336119358.db2.gz RWPPHDATILTMOJ-XUJLQICISA-N 0 0 314.429 4.125 10 30 DIEERN O=C(Nc1ccc2nc(C3CC3)oc2c1)N1CC[C@H]2CCC[C@H]21 ZINC000330225361 336126707 /nfs/dbraw/zinc/12/67/07/336126707.db2.gz BBEDCLFHJWXQAR-IAQYHMDHSA-N 0 0 311.385 4.125 10 30 DIEERN O=C(Nc1cccc(Oc2ccccn2)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000330245354 336129189 /nfs/dbraw/zinc/12/91/89/336129189.db2.gz KRLFZZSZOWUJLQ-WMLDXEAASA-N 0 0 323.396 4.294 10 30 DIEERN N#C[C@]1(c2nc(-c3ccc4ncccc4c3)no2)CC12CCCC2 ZINC000333226311 336200044 /nfs/dbraw/zinc/20/00/44/336200044.db2.gz XFNBIABDKUKHSF-IBGZPJMESA-N 0 0 316.364 4.010 10 30 DIEERN Cc1ccc(Cl)cc1-c1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333885939 336211760 /nfs/dbraw/zinc/21/17/60/336211760.db2.gz XOOKLEYOWANHLL-QGZVFWFLSA-N 0 0 313.788 4.424 10 30 DIEERN CSCCCCNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301270926 336297882 /nfs/dbraw/zinc/29/78/82/336297882.db2.gz JXHCPKAAHYDYAO-UHFFFAOYSA-N 0 0 305.834 4.315 10 30 DIEERN N#Cc1cccc(NCc2cccc(OC3CCCCC3)c2)n1 ZINC000301282965 336298686 /nfs/dbraw/zinc/29/86/86/336298686.db2.gz PGNLNULDBCVRNE-UHFFFAOYSA-N 0 0 307.397 4.277 10 30 DIEERN CN(c1ccc(Cl)c(C#N)n1)[C@@H](c1ccc(F)cc1)C1CC1 ZINC000301549363 336314204 /nfs/dbraw/zinc/31/42/04/336314204.db2.gz FMUHIGVARGHOIW-QGZVFWFLSA-N 0 0 315.779 4.333 10 30 DIEERN CO[C@@H](C)c1nc(CN(C)c2ccc(C#N)c(Cl)c2)cs1 ZINC000301589975 336316866 /nfs/dbraw/zinc/31/68/66/336316866.db2.gz XEAFIYWTXVTXQU-JTQLQIEISA-N 0 0 321.833 4.012 10 30 DIEERN Cn1c(Cl)c(Cl)cc1CNc1cc(Cl)ccc1C#N ZINC000301616912 336318554 /nfs/dbraw/zinc/31/85/54/336318554.db2.gz CFEFXLIQNHWOOS-UHFFFAOYSA-N 0 0 314.603 4.469 10 30 DIEERN CC1(C)C[C@@H](Nc2ccc(Cl)c(C#N)n2)c2ccccc2O1 ZINC000301667811 336322154 /nfs/dbraw/zinc/32/21/54/336322154.db2.gz PCVKZQWHEHLRHX-CYBMUJFWSA-N 0 0 313.788 4.321 10 30 DIEERN Cn1c(Cl)c(Cl)cc1CNc1ccc(C#N)c(Cl)c1 ZINC000301667561 336322214 /nfs/dbraw/zinc/32/22/14/336322214.db2.gz XIGSZVZLBIFCOR-UHFFFAOYSA-N 0 0 314.603 4.469 10 30 DIEERN Cc1cc(NCc2ccc(F)cc2C(F)(F)F)c(C#N)c(C)n1 ZINC000301754114 336327809 /nfs/dbraw/zinc/32/78/09/336327809.db2.gz CJFLGYUWKMEIHC-UHFFFAOYSA-N 0 0 323.293 4.340 10 30 DIEERN Cc1cc(Sc2nnc(C3CCCCC3)o2)c(C#N)c(C)n1 ZINC000301771320 336328740 /nfs/dbraw/zinc/32/87/40/336328740.db2.gz JFYCJVYQACPZLA-UHFFFAOYSA-N 0 0 314.414 4.152 10 30 DIEERN CO[C@H]1CCC[C@@H](Nc2cc(C#N)c3cc(Cl)ccc3n2)C1 ZINC000301792446 336330175 /nfs/dbraw/zinc/33/01/75/336330175.db2.gz RQHBRMLYEVNVNG-KGLIPLIRSA-N 0 0 315.804 4.129 10 30 DIEERN Cc1nc(CNc2ccc(C#N)cc2C(F)(F)F)c(C)s1 ZINC000301823974 336332535 /nfs/dbraw/zinc/33/25/35/336332535.db2.gz CURGIHRKTJNWII-UHFFFAOYSA-N 0 0 311.332 4.263 10 30 DIEERN CC(=O)c1ccc(C#N)cc1N1CCC[C@H]1c1ccc(C)s1 ZINC000302123740 336349644 /nfs/dbraw/zinc/34/96/44/336349644.db2.gz VKUCFPYLECMQSW-INIZCTEOSA-N 0 0 310.422 4.472 10 30 DIEERN COCCC(C)(C)CNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000302146017 336350690 /nfs/dbraw/zinc/35/06/90/336350690.db2.gz HZBGOQFXQQUYIX-UHFFFAOYSA-N 0 0 317.820 4.234 10 30 DIEERN CC(C)C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1ccccc1 ZINC000302715367 336366155 /nfs/dbraw/zinc/36/61/55/336366155.db2.gz JGNGWRDUAZBHTK-AWEZNQCLSA-N 0 0 310.357 4.061 10 30 DIEERN Cc1ccc([C@@H]2CCCCN2c2ncc(C#N)cc2Cl)o1 ZINC000172766078 337130949 /nfs/dbraw/zinc/13/09/49/337130949.db2.gz GONWYKLGJMNBJR-AWEZNQCLSA-N 0 0 301.777 4.240 10 30 DIEERN C=CC[C@H](C)NC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000176865380 337153227 /nfs/dbraw/zinc/15/32/27/337153227.db2.gz WYSDTNMTABNBBS-UONOGXRCSA-N 0 0 321.490 4.120 10 30 DIEERN C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccc(C#N)s1 ZINC000179387778 337167602 /nfs/dbraw/zinc/16/76/02/337167602.db2.gz IEGHVPGPJZEEGZ-KUHUBIRLSA-N 0 0 319.433 4.455 10 30 DIEERN C=CCCC[C@H](C)NC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000181092760 337179723 /nfs/dbraw/zinc/17/97/23/337179723.db2.gz CZUAZBJNYQGXRJ-UONOGXRCSA-N 0 0 307.463 4.125 10 30 DIEERN C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187391892 337265435 /nfs/dbraw/zinc/26/54/35/337265435.db2.gz WDLJRVQRYPMQGY-DOMZBBRYSA-N 0 0 307.463 4.043 10 30 DIEERN CCOP(=O)(C#Cc1ccc(Br)cc1)OCC ZINC000584602429 337371033 /nfs/dbraw/zinc/37/10/33/337371033.db2.gz UKLQBUDSPXHQEK-UHFFFAOYSA-N 0 0 317.119 4.024 10 30 DIEERN CCC[C@@H](C(=O)OCC)[C@](C#N)(CCC)c1cccc(OC)c1 ZINC000584596952 337374299 /nfs/dbraw/zinc/37/42/99/337374299.db2.gz VNGPYNPFHXMIAA-HKUYNNGSSA-N 0 0 317.429 4.236 10 30 DIEERN N#Cc1cc(F)c(F)cc1Nc1ccc(Br)cc1 ZINC000584624246 337375360 /nfs/dbraw/zinc/37/53/60/337375360.db2.gz MBHTUUJIVFKXHP-UHFFFAOYSA-N 0 0 309.113 4.343 10 30 DIEERN COC(=O)c1ccc(Oc2ccccc2C#N)c2ccccc12 ZINC000584659397 337378174 /nfs/dbraw/zinc/37/81/74/337378174.db2.gz CNQKUDYOZQMXLQ-UHFFFAOYSA-N 0 0 303.317 4.290 10 30 DIEERN C=C(OCC)[C@@H](CCc1ccccc1)Oc1cccc(F)n1 ZINC000584652637 337381120 /nfs/dbraw/zinc/38/11/20/337381120.db2.gz GVZSURYCWGUXEZ-MRXNPFEDSA-N 0 0 301.361 4.151 10 30 DIEERN Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@H](C)C2 ZINC000183605901 340488440 /nfs/dbraw/zinc/48/84/40/340488440.db2.gz IVSIWSJPNABNPZ-AUUYWEPGSA-N 0 0 319.408 4.116 10 30 DIEERN CC(N=Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000033481805 518453224 /nfs/dbraw/zinc/45/32/24/518453224.db2.gz YLPPREOOPYBZNN-ZDLGFXPLSA-N 0 0 321.283 4.032 10 30 DIEERN N#Cc1c(Cl)nsc1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000267188368 526521548 /nfs/dbraw/zinc/52/15/48/526521548.db2.gz GTSINRAVCPYJPE-BQBZGAKWSA-N 0 0 309.744 4.201 10 30 DIEERN C=CC[C@@H]1C=CC[C@@H](CC=C)N1C(=O)c1onc2ccccc21 ZINC000067771010 563454732 /nfs/dbraw/zinc/45/47/32/563454732.db2.gz RQWIUVLZFBQXQZ-HUUCEWRRSA-N 0 0 308.381 4.119 10 30 DIEERN COC(=O)c1cc(C)ccc1/N=C1\CCCN1c1ccccc1 ZINC000100390605 563550132 /nfs/dbraw/zinc/55/01/32/563550132.db2.gz UULHQJGYMNTWJE-CZIZESTLSA-N 0 0 308.381 4.112 10 30 in-vitro DIEERN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CC(=O)O[C@@H]1O ZINC000014486841 563556218 /nfs/dbraw/zinc/55/62/18/563556218.db2.gz KJUPGEKTXQYTSU-MMLWSDKNSA-N 0 0 316.441 4.143 10 30 biogenic DIEERN COc1cccc2sc(/N=C/c3cc(Cl)ccc3O)nc21 ZINC000048524517 563698497 /nfs/dbraw/zinc/69/84/97/563698497.db2.gz UFIHBLPLTZVWOD-CAOOACKPSA-N 0 0 318.785 4.415 10 30 DIEERN C=C[C@]1(C)CC[C@]2(C)[C@@H](C1)C(=O)C[C@@H]1[C@]23CCC[C@]1(C)C(=O)O3 ZINC000034645441 563703181 /nfs/dbraw/zinc/70/31/81/563703181.db2.gz HWECMADGHQKSLK-BWXAORSUSA-N 0 0 316.441 4.060 10 30 biogenic DIEERN COC(C)(C)CCC[C@H](C)[C@@H](O)C#CC[C@H](C)OC(C)(C)C ZINC000003097748 563715549 /nfs/dbraw/zinc/71/55/49/563715549.db2.gz JJYIEYDFDWNGEZ-ULQDDVLXSA-N 0 0 312.494 4.176 10 30 DIEERN C=CCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103546873 563822423 /nfs/dbraw/zinc/82/24/23/563822423.db2.gz PPUCLCTVTJYXOM-UHFFFAOYSA-N 0 0 304.152 4.047 10 30 DIEERN C[C@@H](N[C@@H](c1ccccc1)c1ccncc1)c1ccc(C#N)s1 ZINC000134821672 1036021451 /nfs/dbraw/zinc/02/14/51/1036021451.db2.gz UXAJXILHBZBVLG-KUHUBIRLSA-N 0 0 319.433 4.455 10 30 DIEERN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)C1 ZINC000328796637 1037669554 /nfs/dbraw/zinc/66/95/54/1037669554.db2.gz DHDIMIMILNYMHX-MWHZBGGUSA-N 0 0 324.424 4.156 10 30 DIEERN CCc1noc2ncc(C(=O)N[C@H]3CCCc4ccccc43)cc12 ZINC000328922888 1038190568 /nfs/dbraw/zinc/19/05/68/1038190568.db2.gz UPIOBISFJITTKT-KRWDZBQOSA-N 0 0 321.380 4.167 10 30 DIEERN C[C@@H]1CC(=O)N[C@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)C1 ZINC000329125359 1039192001 /nfs/dbraw/zinc/19/20/01/1039192001.db2.gz MGQXBLZUUICDQC-FMHYQEOESA-N 0 0 319.449 4.197 10 30 DIEERN Cc1ccc(C[C@H](C)NC(=O)C[C@@H]2CCCCC(=O)N2)c(C)c1 ZINC000328674029 1043074538 /nfs/dbraw/zinc/07/45/38/1043074538.db2.gz PPSHKCMYCNIAKU-RDJZCZTQSA-N 0 0 316.445 4.480 10 30 DIEERN Cc1ccc(C[C@H](C)NC(=O)C[C@@H]2CCCCNC2=O)s1 ZINC000329278890 1043961083 /nfs/dbraw/zinc/96/10/83/1043961083.db2.gz LKCZDCYSQUWTIV-AAEUAGOBSA-N 0 0 308.447 4.091 10 30 DIEERN Cc1cccnc1[C@H](NC(=O)C[C@H]1CCCCNC1=O)C(C)C ZINC000329270208 1043961223 /nfs/dbraw/zinc/96/12/23/1043961223.db2.gz HHURSGBKMLNFFH-GDBMZVCRSA-N 0 0 317.433 4.190 10 30 DIEERN CCS[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000329433997 1043977800 /nfs/dbraw/zinc/97/78/00/1043977800.db2.gz LAFWQDWBIFZGIT-MELADBBJSA-N 0 0 312.479 4.154 10 30 DIEERN O=C(Cc1ccc2n[nH]cc2c1)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329514340 1043997096 /nfs/dbraw/zinc/99/70/96/1043997096.db2.gz OCYGADGFSCDOCA-RDJZCZTQSA-N 0 0 311.429 4.278 10 30 DIEERN N#Cc1c(N)nc(-c2cccc(Cl)c2)cc1-c1ccc(N)cc1 ZINC000090562720 185303785 /nfs/dbraw/zinc/30/37/85/185303785.db2.gz QGOUKDKLADSUBC-UHFFFAOYSA-N 0 0 320.783 4.105 10 30 DIEERN C=C[C@@]1(C)CC[C@H]2[C@@](O)(CC[C@H]3[C@](C)(CO)CCC[C@@]32C)C1 ZINC000096023752 290678659 /nfs/dbraw/zinc/67/86/59/290678659.db2.gz RIQATFSOVFFVRX-DWIKVQACSA-N 0 0 306.490 4.309 10 30 biogenic DIEERN C[C@H](C=O)[C@@H]1CC[C@@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@]12C ZINC000026522160 190653303 /nfs/dbraw/zinc/65/33/03/190653303.db2.gz DCXYXPCMRLYABB-LZRWSTQFSA-N 0 0 314.425 4.263 10 30 DIEERN COc1cc(Nc2cccc(F)c2C#N)c(OC)cc1Cl ZINC000071662965 191000178 /nfs/dbraw/zinc/00/01/78/191000178.db2.gz ABUUJKNDIXGAIS-UHFFFAOYSA-N 0 0 306.724 4.112 10 30 DIEERN N#Cc1cnc2cc(Cl)c(Br)cc2c1Cl ZINC000072187439 191073715 /nfs/dbraw/zinc/07/37/15/191073715.db2.gz HZQLMTFJJLGEKB-UHFFFAOYSA-N 0 0 301.958 4.176 10 30 DIEERN O=C1c2ccc(O)c(O)c2O/C1=C\c1cc(Cl)cc(Cl)c1 ZINC000072238407 191081734 /nfs/dbraw/zinc/08/17/34/191081734.db2.gz VFLVZDKVJUXIPK-XGICHPGQSA-N 0 0 323.131 4.021 10 30 DIEERN CC(=O)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000498289 180808052 /nfs/dbraw/zinc/80/80/52/180808052.db2.gz CYTBNQVJLTUXQH-MFOYZWKCSA-N 0 0 302.717 4.201 10 30 DIEERN CCOc1ccc(C=NNc2ccc(Br)cc2)cc1 ZINC000004373028 181103199 /nfs/dbraw/zinc/10/31/99/181103199.db2.gz CMSAFTAJFSEQHA-GZTJUZNOSA-N 0 0 319.202 4.294 10 30 DIEERN C#C[C@]1(O)CC[C@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3[C@H](C)C[C@]21C ZINC000004369804 181103253 /nfs/dbraw/zinc/10/32/53/181103253.db2.gz MLZOUZLJIKTUIT-YGXGTWSRSA-N 0 0 324.464 4.162 10 30 DIEERN COc1ccc(C=C2SC(=O)N=C2Nc2ccccc2)cc1 ZINC000004539152 181121862 /nfs/dbraw/zinc/12/18/62/181121862.db2.gz FYUMMPOAHKODFR-PTNGSMBKSA-N 0 0 310.378 4.223 10 30 DIEERN CCNC(=S)N(/N=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000004558109 181124809 /nfs/dbraw/zinc/12/48/09/181124809.db2.gz SURURFWQUNAIRG-XDHOZWIPSA-N 0 0 317.845 4.075 10 30 DIEERN COC(C)(C)CCC[C@H](C)[C@H](O)C#CC[C@@H](C)OC(C)(C)C ZINC000005368213 181235324 /nfs/dbraw/zinc/23/53/24/181235324.db2.gz JJYIEYDFDWNGEZ-GVDBMIGSSA-N 0 0 312.494 4.176 10 30 DIEERN C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21CC ZINC000005599473 181262405 /nfs/dbraw/zinc/26/24/05/181262405.db2.gz NXKYEZGQCNWQRT-AANPDWTMSA-N 0 0 324.464 4.306 10 30 in-vitro DIEERN C/C(=N\N1[C@@H](C)CCC[C@@H]1C)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005788814 181284122 /nfs/dbraw/zinc/28/41/22/181284122.db2.gz AXYKYOFNSMEQJL-YHSBSIPNSA-N 0 0 309.797 4.235 10 30 DIEERN COc1cccc(C=Nc2ccc3[nH]c(C(F)(F)F)nc3c2)c1 ZINC000005940617 181299388 /nfs/dbraw/zinc/29/93/88/181299388.db2.gz PNIRBKCPJGGUGA-AWQFTUOYSA-N 0 0 319.286 4.341 10 30 DIEERN C[C@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000006037356 181307434 /nfs/dbraw/zinc/30/74/34/181307434.db2.gz KROXBRXHRBCDNO-IFMMWYRXSA-N 0 0 302.458 4.125 10 30 DIEERN Cn1c2ccccc2s/c1=N\N=C\c1cccc2ccccc12 ZINC000006335215 181330950 /nfs/dbraw/zinc/33/09/50/181330950.db2.gz FUHNOFGLBRJVBX-OYLDMMOPSA-N 0 0 317.417 4.328 10 30 DIEERN C=C(C)C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006562762 181354984 /nfs/dbraw/zinc/35/49/84/181354984.db2.gz XAQXHFSCTWQSLX-UHFFFAOYSA-N 0 0 314.366 4.261 10 30 DIEERN C[C@@H]1CCc2c(C#N)c(NC(=O)NC3CCCCC3)sc2C1 ZINC000006795053 181390403 /nfs/dbraw/zinc/39/04/03/181390403.db2.gz NYXNXZQHVFKJGQ-LLVKDONJSA-N 0 0 317.458 4.199 10 30 DIEERN CC(C)CCOc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000008567739 181565207 /nfs/dbraw/zinc/56/52/07/181565207.db2.gz WWEGMAJYHGCIJV-UHFFFAOYSA-N 0 0 308.381 4.235 10 30 DIEERN COc1ccc([C@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000013634784 181870574 /nfs/dbraw/zinc/87/05/74/181870574.db2.gz GIJXGGDNJJIXOH-SQGPQFPESA-N 0 0 302.377 4.393 10 30 DIEERN N#Cc1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 ZINC000014477981 181954803 /nfs/dbraw/zinc/95/48/03/181954803.db2.gz QBEGJVNWHDHUIX-FRIZHTMISA-N 0 0 317.348 4.293 10 30 DIEERN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000135045844 335019399 /nfs/dbraw/zinc/01/93/99/335019399.db2.gz JCJYYHLYYHRLQS-CXAGYDPISA-N 0 0 306.475 4.014 10 30 DIEERN N#CCCN(Cc1ccc(Br)cc1)c1ccccc1 ZINC000019425900 182122393 /nfs/dbraw/zinc/12/23/93/182122393.db2.gz ZWVVWGZFBYUSCM-UHFFFAOYSA-N 0 0 315.214 4.369 10 30 DIEERN C/C(=N\O)c1ccccc1OCc1cccc(Br)c1 ZINC000019809235 182152870 /nfs/dbraw/zinc/15/28/70/182152870.db2.gz LUNYBOQPCJCPBN-GZTJUZNOSA-N 0 0 320.186 4.226 10 30 DIEERN C[C@@H](Nc1cccc(C#N)c1)c1ccccc1Br ZINC000019922134 182164261 /nfs/dbraw/zinc/16/42/61/182164261.db2.gz JNRYELZKJFSAGR-LLVKDONJSA-N 0 0 301.187 4.494 10 30 DIEERN N#Cc1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21 ZINC000019887328 182160874 /nfs/dbraw/zinc/16/08/74/182160874.db2.gz QBEGJVNWHDHUIX-OHNRDTAOSA-N 0 0 317.348 4.293 10 30 DIEERN N#CCCN(C(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000020013916 182178499 /nfs/dbraw/zinc/17/84/99/182178499.db2.gz BTTFFOMUFREQFB-UHFFFAOYSA-N 0 0 302.736 4.040 10 30 DIEERN N#C[C@@H](C(=O)C1CCCCC1)c1cccc(Br)c1 ZINC000036765763 182842021 /nfs/dbraw/zinc/84/20/21/182842021.db2.gz SLMHYLWFGVBDRV-CQSZACIVSA-N 0 0 306.203 4.206 10 30 DIEERN COc1ccc(Cl)cc1CNc1cc(C#N)cc(F)c1C ZINC000038051571 182982750 /nfs/dbraw/zinc/98/27/50/182982750.db2.gz YEZOGAGNPKCJOX-UHFFFAOYSA-N 0 0 304.752 4.280 10 30 DIEERN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000039027085 183014328 /nfs/dbraw/zinc/01/43/28/183014328.db2.gz WCYYIFXENZTEHA-IEVCPYEKSA-N 0 0 318.457 4.019 10 30 biogenic DIEERN C=C(C)n1c2cc(C)c(C)cc2n(Cc2ccc(C)cc2)c1=O ZINC000040311238 183053506 /nfs/dbraw/zinc/05/35/06/183053506.db2.gz ZTPIRKLNFURHEP-UHFFFAOYSA-N 0 0 306.409 4.267 10 30 DIEERN COc1ccc(C(=O)/C=C/c2ccc3ccccc3n2)cc1F ZINC000040576139 183104526 /nfs/dbraw/zinc/10/45/26/183104526.db2.gz YBTFXIXUSPWSEY-MDZDMXLPSA-N 0 0 307.324 4.279 10 30 DIEERN C=C(Br)CCc1ccc(O[C@@H]2CCCCO2)cc1 ZINC000043208763 183344644 /nfs/dbraw/zinc/34/46/44/183344644.db2.gz ZSCIPDNABVRMCJ-OAHLLOKOSA-N 0 0 311.219 4.433 10 30 DIEERN COCc1c(Br)cccc1N[C@@H]1CCCC[C@@H]1C#N ZINC000054826089 183952418 /nfs/dbraw/zinc/95/24/18/183952418.db2.gz VMJVVSFQZJCUSN-BXUZGUMPSA-N 0 0 323.234 4.090 10 30 DIEERN Cc1cc(Br)ccc1OCc1ccc(C#N)cc1F ZINC000057523457 184041009 /nfs/dbraw/zinc/04/10/09/184041009.db2.gz UILGGVOWFRPAAU-UHFFFAOYSA-N 0 0 320.161 4.347 10 30 DIEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21CC ZINC000256447410 257104257 /nfs/dbraw/zinc/10/42/57/257104257.db2.gz NXKYEZGQCNWQRT-YXIAPDDASA-N 0 0 324.464 4.306 10 30 DIEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]21CC ZINC000256447405 257104499 /nfs/dbraw/zinc/10/44/99/257104499.db2.gz NXKYEZGQCNWQRT-POHUPDAJSA-N 0 0 324.464 4.306 10 30 DIEERN C[C@@]12CC[C@@H]3[C@H](CCC4=C(Cl)C(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O ZINC000306121699 257233531 /nfs/dbraw/zinc/23/35/31/257233531.db2.gz KCZCIYZKSLLNNH-LZLLAMCISA-N 0 0 322.876 4.446 10 30 DIEERN CC[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]2(C)[C@H]1O ZINC000301054658 262516569 /nfs/dbraw/zinc/51/65/69/262516569.db2.gz FCKLFGKATYPJPG-KJGAZMBDSA-N 0 0 302.458 4.125 10 30 DIEERN Cc1nn(C)c(Cl)c1C=Nc1cc(Cl)cc(Cl)c1 ZINC000575114732 331463387 /nfs/dbraw/zinc/46/33/87/331463387.db2.gz YKTMTYCTSFQTGF-UHFFFAOYSA-N 0 0 302.592 4.439 10 30 DIEERN CCc1ccsc1CNc1nc(C(F)(F)F)ccc1C#N ZINC000088290541 331808553 /nfs/dbraw/zinc/80/85/53/331808553.db2.gz BSPXALOPTKCKJO-UHFFFAOYSA-N 0 0 311.332 4.208 10 30 DIEERN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000187976485 333155584 /nfs/dbraw/zinc/15/55/84/333155584.db2.gz DQFSLWIYDRJBPT-MGPUTAFESA-N 0 0 311.425 4.246 10 30 DIEERN C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000025371231 333404589 /nfs/dbraw/zinc/40/45/89/333404589.db2.gz LBJBAEBIXOEPFV-SNVBAGLBSA-N 0 0 301.733 4.293 10 30 DIEERN CC(C)[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)c1cccnc1 ZINC000328646027 334745644 /nfs/dbraw/zinc/74/56/44/334745644.db2.gz HBGOVVIJAVSYJH-HOTGVXAUSA-N 0 0 317.433 4.067 10 30 DIEERN CC1(C)CC[C@@H](C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000328648568 334745655 /nfs/dbraw/zinc/74/56/55/334745655.db2.gz IFGKKXMPHHSHDE-OWCLPIDISA-N 0 0 302.418 4.085 10 30 DIEERN C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2ccccc2NC2CCCC2)O1 ZINC000328660856 334746438 /nfs/dbraw/zinc/74/64/38/334746438.db2.gz WCNKSRYPPLGYMF-OGHNNQOOSA-N 0 0 302.418 4.443 10 30 DIEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1CCCOc2ccccc21 ZINC000328666624 334746917 /nfs/dbraw/zinc/74/69/17/334746917.db2.gz KKRCGMZNXYCENT-DZGCQCFKSA-N 0 0 316.401 4.146 10 30 DIEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1CSc2ccccc21 ZINC000328676155 334747653 /nfs/dbraw/zinc/74/76/53/334747653.db2.gz RKGZEQDGGILERY-WCQYABFASA-N 0 0 304.415 4.079 10 30 DIEERN Cc1ncc(NC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000328785214 334756850 /nfs/dbraw/zinc/75/68/50/334756850.db2.gz KJTVKMMJTUKPNA-DZGCQCFKSA-N 0 0 302.399 4.207 10 30 DIEERN Cc1cnc([C@H](NC(=O)C[C@@H]2CCCCNC2=O)C2CC2)s1 ZINC000328853318 334760329 /nfs/dbraw/zinc/76/03/29/334760329.db2.gz JEKYRFBSUGDBAO-GXTWGEPZSA-N 0 0 321.446 4.006 10 30 DIEERN O=C(C[C@@H]1CCCCNC1=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000329261363 335957159 /nfs/dbraw/zinc/95/71/59/335957159.db2.gz CZPVSYLKYZZDDZ-YESZJQIVSA-N 0 0 314.429 4.426 10 30 DIEERN Cc1nc(C2CC2)oc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000329799218 336083207 /nfs/dbraw/zinc/08/32/07/336083207.db2.gz XSRXTVNTJAMJCB-QMMMGPOBSA-N 0 0 317.414 4.078 10 30 DIEERN C[C@]1(NC(=O)C[C@H]2CCCCNC2=O)CCCc2ccccc21 ZINC000329834485 336087673 /nfs/dbraw/zinc/08/76/73/336087673.db2.gz LSAWFHKAVQOBDT-BEFAXECRSA-N 0 0 314.429 4.341 10 30 DIEERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000329837185 336088242 /nfs/dbraw/zinc/08/82/42/336088242.db2.gz MUIIUDKETMNRJB-SQNIBIBYSA-N 0 0 323.440 4.151 10 30 DIEERN O=C(C[C@@H]1CCCCC(=O)N1)NC1CCC(C(F)(F)F)CC1 ZINC000329851578 336089235 /nfs/dbraw/zinc/08/92/35/336089235.db2.gz TYAPKPXUGMXROJ-MCIGGMRASA-N 0 0 320.355 4.353 10 30 DIEERN O=C(Nc1ccc2nnc(C3CCC3)n2c1)[C@H]1CCC(F)(F)C1 ZINC000330154194 336118678 /nfs/dbraw/zinc/11/86/78/336118678.db2.gz OLCYCBYBDKJWJW-NSHDSACASA-N 0 0 320.343 4.020 10 30 DIEERN Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@H]32)cc1-c1ncco1 ZINC000330260877 336131010 /nfs/dbraw/zinc/13/10/10/336131010.db2.gz SZWKKGHTXOYBRD-CZUORRHYSA-N 0 0 311.385 4.070 10 30 DIEERN O=C(Nc1cccc(Oc2ccncc2)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000330264530 336131404 /nfs/dbraw/zinc/13/14/04/336131404.db2.gz YBBBXXIIOUZHLL-KDOFPFPSSA-N 0 0 323.396 4.294 10 30 DIEERN N#C[C@@]1(c2nc(C3(c4ccccc4)CCC3)no2)CC12CCCC2 ZINC000333872894 336211535 /nfs/dbraw/zinc/21/15/35/336211535.db2.gz UUZNGQPHXLHBJK-HXUWFJFHSA-N 0 0 319.408 4.265 10 30 DIEERN C[C@@H](Cc1cccc(F)c1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000301306363 336300016 /nfs/dbraw/zinc/30/00/16/336300016.db2.gz YXEMJNZYVFTYFI-JTQLQIEISA-N 0 0 323.293 4.154 10 30 DIEERN COCC[C@@H](Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000301646516 336320560 /nfs/dbraw/zinc/32/05/60/336320560.db2.gz NYJCTORJFRMCDP-QGZVFWFLSA-N 0 0 300.789 4.401 10 30 DIEERN Cc1cc(N[C@H](c2ccccc2)c2ccccn2)c(C#N)c(C)n1 ZINC000301751445 336327620 /nfs/dbraw/zinc/32/76/20/336327620.db2.gz AYGNCIMNLKGVTH-HXUWFJFHSA-N 0 0 314.392 4.167 10 30 DIEERN CO[C@H]1CCC[C@@H](Nc2c(C#N)cnc3c(C)cc(C)cc32)C1 ZINC000301761982 336328285 /nfs/dbraw/zinc/32/82/85/336328285.db2.gz GIVVDFGZGQGEKR-CVEARBPZSA-N 0 0 309.413 4.093 10 30 DIEERN Cc1cc(N[C@H](C)c2cccc(OC(F)F)c2)c(C#N)c(C)n1 ZINC000301790403 336330119 /nfs/dbraw/zinc/33/01/19/336330119.db2.gz QJXZAKAHASRWCB-LLVKDONJSA-N 0 0 317.339 4.345 10 30 DIEERN C[C@H](Nc1ccc(F)cc1C#N)c1cnn(Cc2ccccc2)c1 ZINC000301873985 336335528 /nfs/dbraw/zinc/33/55/28/336335528.db2.gz XOZAJLMXRBEZRK-AWEZNQCLSA-N 0 0 320.371 4.115 10 30 DIEERN CSc1ccc(CN(C)c2cc(C#N)ccc2C(C)=O)cc1 ZINC000302081532 336347569 /nfs/dbraw/zinc/34/75/69/336347569.db2.gz CEZIBFNGTXRRDV-UHFFFAOYSA-N 0 0 310.422 4.119 10 30 DIEERN CC(=O)c1ccc(C#N)cc1N[C@@H](C)c1ccc(F)cc1F ZINC000302085569 336347805 /nfs/dbraw/zinc/34/78/05/336347805.db2.gz DVQDJODSLFTJJP-JTQLQIEISA-N 0 0 300.308 4.212 10 30 DIEERN CC(=O)c1ccc(C#N)cc1N[C@@H](C)c1ccc(F)c(F)c1 ZINC000302091811 336348117 /nfs/dbraw/zinc/34/81/17/336348117.db2.gz HHYHPBFHZXTXQR-JTQLQIEISA-N 0 0 300.308 4.212 10 30 DIEERN CC(=O)c1ccc(C#N)c(NCc2ccc(OCC(C)C)cc2)c1 ZINC000302106084 336348762 /nfs/dbraw/zinc/34/87/62/336348762.db2.gz NQKYUFDJGJLMBF-UHFFFAOYSA-N 0 0 322.408 4.408 10 30 DIEERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cccc(CC#N)c2)o1 ZINC000172669725 337129416 /nfs/dbraw/zinc/12/94/16/337129416.db2.gz BCUFYWMLONMZRM-SFHVURJKSA-N 0 0 322.408 4.275 10 30 DIEERN C=CCCCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000175656860 337146891 /nfs/dbraw/zinc/14/68/91/337146891.db2.gz QOGOAMBQQMLMBU-KRWDZBQOSA-N 0 0 323.440 4.139 10 30 DIEERN C=CCCCC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000175858210 337149341 /nfs/dbraw/zinc/14/93/41/337149341.db2.gz PVLFCIULXHUDBC-CQSZACIVSA-N 0 0 306.475 4.329 10 30 DIEERN C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(C#N)s1 ZINC000179810691 337171928 /nfs/dbraw/zinc/17/19/28/337171928.db2.gz KMWXTQJATJDKDI-NSHDSACASA-N 0 0 311.410 4.068 10 30 DIEERN C#CCCCCC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000179943959 337172436 /nfs/dbraw/zinc/17/24/36/337172436.db2.gz DWFBITJMPFPACJ-OAHLLOKOSA-N 0 0 318.486 4.166 10 30 DIEERN C=CCCC[C@H](C)NC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000181117707 337180094 /nfs/dbraw/zinc/18/00/94/337180094.db2.gz PRSFLDXSLNRMJD-ZFWWWQNUSA-N 0 0 321.490 4.085 10 30 DIEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000185624209 337249585 /nfs/dbraw/zinc/24/95/85/337249585.db2.gz LAXFUOLMHRHVBU-YQQAZPJKSA-N 0 0 301.430 4.002 10 30 DIEERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(/C=C/c2ccccc2C#N)n1 ZINC000190397066 337285875 /nfs/dbraw/zinc/28/58/75/337285875.db2.gz MMMXSDOVOJGTSX-QFTYNREVSA-N 0 0 323.396 4.030 10 30 DIEERN CCCCC(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000584607939 337371918 /nfs/dbraw/zinc/37/19/18/337371918.db2.gz VTVHWTHJUJYERS-UHFFFAOYSA-N 0 0 317.204 4.391 10 30 DIEERN C=CC/C(Br)=C(/Cl)c1ccc([N+](=O)[O-])cc1 ZINC000584611032 337372216 /nfs/dbraw/zinc/37/22/16/337372216.db2.gz KEAHWTYJRCZMKG-KHPPLWFESA-N 0 0 302.555 4.473 10 30 DIEERN C=CC[C@@](Cc1ccc(C(C)C)cc1)(C(C)=O)C(=O)OCC ZINC000584596660 337374272 /nfs/dbraw/zinc/37/42/72/337374272.db2.gz FKKIOPLFEPGXDQ-LJQANCHMSA-N 0 0 302.414 4.067 10 30 DIEERN CCOC(=O)c1ccc(/N=C/c2cnc3ccccc3c2)cc1 ZINC000584598236 337374647 /nfs/dbraw/zinc/37/46/47/337374647.db2.gz IMFBHOXYSUWKHJ-UDWIEESQSA-N 0 0 304.349 4.162 10 30 DIEERN O=CCCCOP(=O)(Nc1ccccc1)Nc1ccccc1 ZINC000584651167 337380844 /nfs/dbraw/zinc/38/08/44/337380844.db2.gz DZQQXDXFKGYJGI-UHFFFAOYSA-N 0 0 318.313 4.314 10 30 DIEERN CCCCCCCCC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000109672593 337388537 /nfs/dbraw/zinc/38/85/37/337388537.db2.gz XIIGTZWDVPEPSN-KRWDZBQOSA-N 0 0 319.493 4.451 10 30 DIEERN CC(C)[C@@H](C)NC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000066954817 337543153 /nfs/dbraw/zinc/54/31/53/337543153.db2.gz AWTKPWLOZFPEAJ-CHWSQXEVSA-N 0 0 305.447 4.247 10 30 DIEERN Cc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000119654928 337863663 /nfs/dbraw/zinc/86/36/63/337863663.db2.gz UPTQEZDZWYXHEC-LLVKDONJSA-N 0 0 315.323 4.028 10 30 DIEERN CCc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(C#N)cc2)o1 ZINC000173200428 340360131 /nfs/dbraw/zinc/36/01/31/340360131.db2.gz XQSYLBRNHZKBGP-QGZVFWFLSA-N 0 0 323.396 4.473 10 30 DIEERN CCc1ccc([C@H]2CCCCN2C(=O)Nc2cccc(C#N)c2)o1 ZINC000173199894 340360178 /nfs/dbraw/zinc/36/01/78/340360178.db2.gz FZFWFDKGYOCBPH-QGZVFWFLSA-N 0 0 323.396 4.473 10 30 DIEERN C[C@H](NC(=O)Cc1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC000194714246 340595086 /nfs/dbraw/zinc/59/50/86/340595086.db2.gz NDWIZRJMCJAAOL-HNNXBMFYSA-N 0 0 314.388 4.131 10 30 DIEERN C[C@@H](Nc1ccc(C#N)cc1Br)c1cncc(F)c1 ZINC000235235287 340657834 /nfs/dbraw/zinc/65/78/34/340657834.db2.gz JCGNYFBHDXINFJ-SECBINFHSA-N 0 0 320.165 4.028 10 30 DIEERN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)C(C)C ZINC000078316255 341240151 /nfs/dbraw/zinc/24/01/51/341240151.db2.gz HPTGMGNXOHTSJC-NSHDSACASA-N 0 0 300.855 4.144 10 30 DIEERN C[C@@H]1C[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)C[C@H](C)O1 ZINC000246005343 341321714 /nfs/dbraw/zinc/32/17/14/341321714.db2.gz JSICMJWGMXEBBH-ZSBIGDGJSA-N 0 0 320.458 4.059 10 30 DIEERN Cn1c2ccc(F)cc2nc1-c1cccc(OCCCC#N)c1 ZINC000171245000 341774500 /nfs/dbraw/zinc/77/45/00/341774500.db2.gz JBOQGPOCZZQHPE-UHFFFAOYSA-N 0 0 309.344 4.062 10 30 DIEERN CC(C)(C)OC(=O)N1CCC(/C=C/C(=O)c2ccccc2)CC1 ZINC000080402412 518799025 /nfs/dbraw/zinc/79/90/25/518799025.db2.gz XYJDXZJRFHANJE-MDZDMXLPSA-N 0 0 315.413 4.073 10 30 DIEERN COC1=Cc2cccc3ccc(-c4ccc(O)cc4)c(c32)C1=O ZINC000014504319 522649144 /nfs/dbraw/zinc/64/91/44/522649144.db2.gz PXMSSFOVGYLJLV-UHFFFAOYSA-N 0 0 302.329 4.396 10 30 endogenous,in-man DIEERN Fc1c(F)c(C(F)(F)Br)ccc1C(F)(F)F ZINC000071619305 526292569 /nfs/dbraw/zinc/29/25/69/526292569.db2.gz LZWDJNPOCLXLMT-UHFFFAOYSA-N 0 0 310.994 4.428 10 30 DIEERN C=C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C ZINC000004775246 560199926 /nfs/dbraw/zinc/19/99/26/560199926.db2.gz BFJGDRRSEQORFA-MJCUULBUSA-N 0 0 312.453 4.468 10 30 in-vitro DIEERN COC(C)(C)CCC[C@H](C)[C@H](O)C#CC[C@H](C)OC(C)(C)C ZINC000248157940 563559111 /nfs/dbraw/zinc/55/91/11/563559111.db2.gz JJYIEYDFDWNGEZ-YESZJQIVSA-N 0 0 312.494 4.176 10 30 DIEERN C=CCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 ZINC000002576155 563692537 /nfs/dbraw/zinc/69/25/37/563692537.db2.gz SCIKTJAHTKCLHE-UHFFFAOYSA-N 0 0 307.349 4.122 10 30 DIEERN C#C[C@]1(O)CC[C@@H]2[C@H]3CCc4cc(OC)cc(C)c4[C@@H]3CC[C@@]21C ZINC000215691395 568417675 /nfs/dbraw/zinc/41/76/75/568417675.db2.gz SDXFYMDYTAJWRS-YMYKFTITSA-N 0 0 324.464 4.224 10 30 DIEERN C=C[C@@]1(C)C=C2CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@]2(O)CC1 ZINC000095620480 571799323 /nfs/dbraw/zinc/79/93/23/571799323.db2.gz RGLTYROISYBKIW-BDUQCRIQSA-N 0 0 304.474 4.227 10 30 endogenous,in-man DIEERN Cc1ccc(C[C@H](C)NC(=O)C[C@H]2CCCCNC2=O)s1 ZINC000329278891 1043961392 /nfs/dbraw/zinc/96/13/92/1043961392.db2.gz LKCZDCYSQUWTIV-WCQYABFASA-N 0 0 308.447 4.091 10 30 DIEERN CO[C@@H](C(=O)NC[C@@H]1C[C@H]1C1CCCCC1)c1ccc(O)cc1 ZINC000329352788 1043970422 /nfs/dbraw/zinc/97/04/22/1043970422.db2.gz UTUIEMGAWNYINS-RYQLBKOJSA-N 0 0 317.429 4.253 10 30 DIEERN C=C1C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O ZINC000261493345 1044799651 /nfs/dbraw/zinc/79/96/51/1044799651.db2.gz UIMCXMMDBRLWEH-ADXOPFBHSA-N 0 0 300.442 4.045 10 30 DIEERN N#Cc1cccc(NC(=O)N2CC=C(c3ccccc3F)CC2)c1 ZINC000161153092 1048864339 /nfs/dbraw/zinc/86/43/39/1048864339.db2.gz JWLKDDZAGQIHIS-UHFFFAOYSA-N 0 0 321.355 4.019 10 30 DIEERN CC(C)c1ccc(/N=C2/c3cccc4c3N(CCC4)C2=O)cc1 ZINC000102803781 185422045 /nfs/dbraw/zinc/42/20/45/185422045.db2.gz KPQOGKIJUZWKQN-UZYVYHOESA-N 0 0 304.393 4.224 10 30 DIEERN Cc1ccc(/C=N\c2ccc(I)cc2)cc1 ZINC000000497967 180808045 /nfs/dbraw/zinc/80/80/45/180808045.db2.gz OTUVBZYOLGXTAZ-YBEGLDIGSA-N 0 0 321.161 4.350 10 30 DIEERN C#C[C@]1(O)CC[C@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3[C@@H](C)C[C@@]21C ZINC000004369809 181103316 /nfs/dbraw/zinc/10/33/16/181103316.db2.gz MLZOUZLJIKTUIT-XZGXCDDNSA-N 0 0 324.464 4.162 10 30 DIEERN CCCC(=O)Nc1ccc2nc(N=NC(C)CC)sc2c1 ZINC000078397584 191857091 /nfs/dbraw/zinc/85/70/91/191857091.db2.gz MDJYCUZYSFJYHP-VCHYOVAHSA-N 0 0 304.419 4.233 10 30 DIEERN O=[N+]([O-])c1cccc(C=NNc2ccccc2C(F)(F)F)c1 ZINC000005163450 181212586 /nfs/dbraw/zinc/21/25/86/181212586.db2.gz JCUYHRXHBBDELY-GIJQJNRQSA-N 0 0 309.247 4.060 10 30 DIEERN Cc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1 ZINC000005268012 181224413 /nfs/dbraw/zinc/22/44/13/181224413.db2.gz RPKHQDBETWFLGX-UHFFFAOYSA-N 0 0 324.449 4.297 10 30 DIEERN CC1(C)[C@H]2CC[C@]1(C)/C(=N/C(=O)c1cc3ccccc3oc1=O)C2 ZINC000006394761 181337036 /nfs/dbraw/zinc/33/70/36/181337036.db2.gz QXQWGLSFWUYVTR-AOCGRWNHSA-N 0 0 323.392 4.220 10 30 DIEERN COc1ccc2c(c1)c(C(C)(C)C#N)cn2C(=O)OC(C)(C)C ZINC000091297524 193034785 /nfs/dbraw/zinc/03/47/85/193034785.db2.gz YIESVYJWQYZJPD-UHFFFAOYSA-N 0 0 314.385 4.234 10 30 DIEERN CC(C)C[C@H](C(=O)NCC#N)c1ccc(-c2ccccc2)cc1 ZINC000013525560 181857815 /nfs/dbraw/zinc/85/78/15/181857815.db2.gz ACUIHGJHWPHNRR-IBGZPJMESA-N 0 0 306.409 4.123 10 30 DIEERN C=CCSc1ccccc1NC(=O)c1ccc(Cl)nc1 ZINC000015818804 182018929 /nfs/dbraw/zinc/01/89/29/182018929.db2.gz LUHOZYFGIGTFHI-UHFFFAOYSA-N 0 0 304.802 4.265 10 30 DIEERN C[C@H](Nc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000019950973 182169312 /nfs/dbraw/zinc/16/93/12/182169312.db2.gz WCHLDIGTQZPIDK-NSHDSACASA-N 0 0 301.187 4.494 10 30 DIEERN Cc1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1Cl ZINC000020021647 182179981 /nfs/dbraw/zinc/17/99/81/182179981.db2.gz WYDIEYSLJVEAPM-UHFFFAOYSA-N 0 0 305.164 4.426 10 30 DIEERN N#C[C@@H](Nc1ccccc1F)c1ccccc1Br ZINC000037939013 182940450 /nfs/dbraw/zinc/94/04/50/182940450.db2.gz IHYUNAPHOVFSPC-CQSZACIVSA-N 0 0 305.150 4.265 10 30 DIEERN N/C(=N\O)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000038001460 182958028 /nfs/dbraw/zinc/95/80/28/182958028.db2.gz ALZKEVPQGLMZTH-UHFFFAOYSA-N 0 0 315.131 4.019 10 30 DIEERN Cn1cc(/C=N/N=C/c2cn(C)c3ccccc23)c2ccccc21 ZINC000039202761 183014965 /nfs/dbraw/zinc/01/49/65/183014965.db2.gz QLWIZHNFXSNTHT-XHQRYOPUSA-N 0 0 314.392 4.123 10 30 DIEERN C#CCn1c2ccccc2nc1COc1ccc(C(C)C)cc1 ZINC000040235587 183048710 /nfs/dbraw/zinc/04/87/10/183048710.db2.gz QYLWLZOMGYTJBS-UHFFFAOYSA-N 0 0 304.393 4.372 10 30 DIEERN C=C(C)n1c2cc(C)c(C)cc2n(Cc2ccccc2C)c1=O ZINC000040311228 183053627 /nfs/dbraw/zinc/05/36/27/183053627.db2.gz KJPSRQYVNIPOPM-UHFFFAOYSA-N 0 0 306.409 4.267 10 30 DIEERN CN(Cc1csc(Br)c1)c1ccccc1C#N ZINC000042304625 183252395 /nfs/dbraw/zinc/25/23/95/183252395.db2.gz KKPJHRQERUNMPO-UHFFFAOYSA-N 0 0 307.216 4.019 10 30 DIEERN CC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]12C ZINC000256375437 257104678 /nfs/dbraw/zinc/10/46/78/257104678.db2.gz DNUWMYUNKVSEGO-OFCAXSSNSA-N 0 0 308.421 4.340 10 30 DIEERN CC[C@H]1C/C(=C\c2cccnc2)C(=O)/C(=C\c2cccnc2)C1 ZINC000253569567 257105337 /nfs/dbraw/zinc/10/53/37/257105337.db2.gz MMBSCBVEHMETSA-HLDJKUPTSA-N 0 0 304.393 4.333 10 30 DIEERN C[C@@]12CC[C@@H]3[C@H](CCC4=C(Cl)C(=O)CC[C@@]43C)[C@H]1CC[C@H]2O ZINC000306121700 257233539 /nfs/dbraw/zinc/23/35/39/257233539.db2.gz KCZCIYZKSLLNNH-NQDVUIOVSA-N 0 0 322.876 4.446 10 30 DIEERN CC(C)c1nc([C@@H]2CCCN2c2ccc(C#N)c(Cl)c2)no1 ZINC000277341601 130603353 /nfs/dbraw/zinc/60/33/53/130603353.db2.gz ZFANIJDDZPWNQJ-AWEZNQCLSA-N 0 0 316.792 4.060 10 30 DIEERN Cc1cc(C#N)cc(N[C@H](C)c2cccc(Br)c2)n1 ZINC000161007219 332188140 /nfs/dbraw/zinc/18/81/40/332188140.db2.gz ZKTIZJIWOJRNJN-LLVKDONJSA-N 0 0 316.202 4.197 10 30 DIEERN N#CCC[C@H](NC(=O)N1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000151459923 332202532 /nfs/dbraw/zinc/20/25/32/332202532.db2.gz BANRLMAXEYSPRR-IRXDYDNUSA-N 0 0 323.396 4.171 10 30 DIEERN Cc1cc(Cl)c(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1Cl ZINC000408234591 332358013 /nfs/dbraw/zinc/35/80/13/332358013.db2.gz GCWKVBWVLFVERV-BXKDBHETSA-N 0 0 312.200 4.116 10 30 DIEERN COc1ccc([C@H](C)CNc2ccccc2O[C@@H](C)C#N)cc1 ZINC000181131842 333167648 /nfs/dbraw/zinc/16/76/48/333167648.db2.gz YCSRHBYULRMBIL-CABCVRRESA-N 0 0 310.397 4.202 10 30 DIEERN N#C[C@H]1CCC[C@H]1NCc1cccc(OCc2ccccc2)c1 ZINC000390788051 333393511 /nfs/dbraw/zinc/39/35/11/333393511.db2.gz UQDGQTSNLBCUPO-UYAOXDASSA-N 0 0 306.409 4.047 10 30 DIEERN C[C@@H]1CCC[C@H](CC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000328650294 334745600 /nfs/dbraw/zinc/74/56/00/334745600.db2.gz JBNOSMSEVWEFCN-WXSAJPJJSA-N 0 0 316.445 4.475 10 30 DIEERN Cc1ccc([C@H](C)CNC(=O)C[C@@H]2CCCCC(=O)N2)cc1 ZINC000328675975 334747651 /nfs/dbraw/zinc/74/76/51/334747651.db2.gz RGQUZJCYJNNQIP-ZBFHGGJFSA-N 0 0 302.418 4.344 10 30 DIEERN CCc1nc([C@H](C)NC(=O)C[C@@H]2CCCCC(=O)N2)cs1 ZINC000328679470 334748676 /nfs/dbraw/zinc/74/86/76/334748676.db2.gz UCBAEAZERSKMPB-QWRGUYRKSA-N 0 0 309.435 4.012 10 30 DIEERN Cc1cccnc1[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)C(C)C ZINC000328679096 334748728 /nfs/dbraw/zinc/74/87/28/334748728.db2.gz TVXXUNOTNHFABK-RHSMWYFYSA-N 0 0 317.433 4.333 10 30 DIEERN C[C@@H]1CC(=O)N[C@H](C(=O)NC2CCC(c3ccccc3)CC2)C1 ZINC000328746121 334751150 /nfs/dbraw/zinc/75/11/50/334751150.db2.gz LDGMCQAQAYFWOA-LYAPFXNSSA-N 0 0 314.429 4.424 10 30 DIEERN O=C(C[C@@H]1CCCCNC1=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000328753812 334751965 /nfs/dbraw/zinc/75/19/65/334751965.db2.gz DLOZIQPXJZMHPQ-QJPTWQEYSA-N 0 0 320.355 4.211 10 30 DIEERN CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000328727069 334753789 /nfs/dbraw/zinc/75/37/89/334753789.db2.gz CXYSLJMYKXAGRM-RBSFLKMASA-N 0 0 306.450 4.447 10 30 DIEERN Cc1csc([C@H](NC(=O)C[C@H]2CCCCNC2=O)C2CC2)n1 ZINC000328882066 334763265 /nfs/dbraw/zinc/76/32/65/334763265.db2.gz WXKWMWGSBBIKQX-TZMCWYRMSA-N 0 0 321.446 4.006 10 30 DIEERN CC(C)c1nc(C2(NC(=O)[C@@H]3CCCSC3)CCCC2)no1 ZINC000329740170 336076208 /nfs/dbraw/zinc/07/62/08/336076208.db2.gz VHIJQURMEDMMCX-GFCCVEGCSA-N 0 0 323.462 4.062 10 30 DIEERN CC(C)n1cc2cc(NC(=O)N[C@@H](C)CC3CC3)ccc2n1 ZINC000330025371 336106987 /nfs/dbraw/zinc/10/69/87/336106987.db2.gz KMIFDXNITANVOE-LBPRGKRZSA-N 0 0 300.406 4.132 10 30 DIEERN Cc1nc2cc(Cl)c(NC(=O)C[C@@H]3CCOC3)cc2s1 ZINC000330098103 336113401 /nfs/dbraw/zinc/11/34/01/336113401.db2.gz BMGHXGWJFPDNPK-VIFPVBQESA-N 0 0 310.806 4.273 10 30 DIEERN CC1CC(NC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000330160381 336119381 /nfs/dbraw/zinc/11/93/81/336119381.db2.gz RWPPHDATILTMOJ-ZBCRRDGASA-N 0 0 314.429 4.125 10 30 DIEERN O=C(NCc1nc2c(s1)CCCC2)c1cc2sccc2[nH]1 ZINC000330243478 336129192 /nfs/dbraw/zinc/12/91/92/336129192.db2.gz JTIXHBMEVAURBC-UHFFFAOYSA-N 0 0 317.439 4.070 10 30 DIEERN Cc1ccc(-c2ncco2)cc1NC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330264263 336131430 /nfs/dbraw/zinc/13/14/30/336131430.db2.gz XRDZBOVULKVRHA-CJNGLKHVSA-N 0 0 311.385 4.070 10 30 DIEERN CC1(C)C[C@H](NC(=O)[C@@]2(C)CCCNC2=O)c2ccccc2O1 ZINC000330305510 336146132 /nfs/dbraw/zinc/14/61/32/336146132.db2.gz KXCGZEREDPYWEU-UGSOOPFHSA-N 0 0 316.401 4.002 10 30 DIEERN Cc1ccc(-c2cccnc2)cc1NC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000330322027 336158098 /nfs/dbraw/zinc/15/80/98/336158098.db2.gz GMSLWWYOSUGGRA-NVXWUHKLSA-N 0 0 320.396 4.075 10 30 DIEERN C[C@@H]1CC[C@@H](NC(=O)[C@@]2(C#N)CC23CCCC3)c2ccccc21 ZINC000333570695 336206185 /nfs/dbraw/zinc/20/61/85/336206185.db2.gz PRKXLAQQHMZFNC-ZTQAJYAQSA-N 0 0 308.425 4.215 10 30 DIEERN N#C[C@]1(c2nc(C3(c4ccc(F)cc4)CC3)no2)CC12CCCC2 ZINC000333582736 336206288 /nfs/dbraw/zinc/20/62/88/336206288.db2.gz ODMSLIUKHJMZRX-IBGZPJMESA-N 0 0 323.371 4.014 10 30 DIEERN CC(C)(C)c1ccncc1-c1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333858476 336211353 /nfs/dbraw/zinc/21/13/53/336211353.db2.gz PGDBMZFEGOAXLH-LJQANCHMSA-N 0 0 322.412 4.155 10 30 DIEERN Cn1c(Cl)c(Cl)cc1CNc1c(Cl)cccc1C#N ZINC000301641847 336320090 /nfs/dbraw/zinc/32/00/90/336320090.db2.gz MMWZRHIHTNLKJV-UHFFFAOYSA-N 0 0 314.603 4.469 10 30 DIEERN Cc1cc(N[C@@H](C)c2cccc(OC(F)F)c2)c(C#N)c(C)n1 ZINC000301790404 336330117 /nfs/dbraw/zinc/33/01/17/336330117.db2.gz QJXZAKAHASRWCB-NSHDSACASA-N 0 0 317.339 4.345 10 30 DIEERN CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000302110136 336348964 /nfs/dbraw/zinc/34/89/64/336348964.db2.gz PEDCUBJDUPVQAX-SJLPKXTDSA-N 0 0 310.784 4.382 10 30 DIEERN C[C@@H](Nc1cccc(-c2cnco2)c1)c1ccc(OCC#N)cc1 ZINC000193911188 337080515 /nfs/dbraw/zinc/08/05/15/337080515.db2.gz XXWSNLIISPWJEQ-CQSZACIVSA-N 0 0 319.364 4.417 10 30 DIEERN CCC[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1 ZINC000186005108 337252744 /nfs/dbraw/zinc/25/27/44/337252744.db2.gz MHRHMHUXMNUQFI-SFHVURJKSA-N 0 0 317.396 4.092 10 30 DIEERN N#Cc1ccc(Cl)cc1NCc1ncc(-c2ccccc2)cn1 ZINC000186008056 337252829 /nfs/dbraw/zinc/25/28/29/337252829.db2.gz UOOSCTICEMUXTG-UHFFFAOYSA-N 0 0 320.783 4.281 10 30 DIEERN C=CCC1(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)CCC1 ZINC000187849939 337268543 /nfs/dbraw/zinc/26/85/43/337268543.db2.gz NZWQKPHWLJKRKS-WBVHZDCISA-N 0 0 313.441 4.146 10 30 DIEERN C=CC[C@H](C(=O)Nc1cccc(-c2ncon2)c1)c1ccccc1 ZINC000188435134 337273316 /nfs/dbraw/zinc/27/33/16/337273316.db2.gz MOISOMMOVSRDKZ-KRWDZBQOSA-N 0 0 319.364 4.035 10 30 DIEERN N#Cc1ccccc1NN=Nc1ccc(Br)cc1 ZINC000584598824 337370589 /nfs/dbraw/zinc/37/05/89/337370589.db2.gz ZOWVQOPZXWWCAE-UHFFFAOYSA-N 0 0 301.147 4.432 10 30 DIEERN OCCSCC/N=C/c1cc2ccccc2c2ccccc12 ZINC000584603157 337371135 /nfs/dbraw/zinc/37/11/35/337371135.db2.gz PVIAERKIXSXCBV-XSFVSMFZSA-N 0 0 309.434 4.137 10 30 DIEERN Cc1c2ccccc2c(/C=N/CCSCCO)c2ccccc12 ZINC000584602937 337371200 /nfs/dbraw/zinc/37/12/00/337371200.db2.gz FAMMEXUJUUIQMJ-KGENOOAVSA-N 0 0 323.461 4.446 10 30 DIEERN CCOC(=O)[C@@](C#N)(CCC#N)c1ccc(C2CCCCC2)cc1 ZINC000584595644 337374067 /nfs/dbraw/zinc/37/40/67/337374067.db2.gz VGFNHVGWBLPCPN-HXUWFJFHSA-N 0 0 324.424 4.363 10 30 DIEERN COc1cc(C#N)c(/N=C2\CCCc3sccc32)cc1OC ZINC000584655686 337377851 /nfs/dbraw/zinc/37/78/51/337377851.db2.gz WJSIDLWXDWQXKU-CPNJWEJPSA-N 0 0 312.394 4.094 10 30 DIEERN CCCCCCCC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105848749 337386881 /nfs/dbraw/zinc/38/68/81/337386881.db2.gz KZKCRSJVJRWNQB-MRXNPFEDSA-N 0 0 305.466 4.061 10 30 DIEERN C=CCOc1cccc(NC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116491594 337392779 /nfs/dbraw/zinc/39/27/79/337392779.db2.gz VRIUDDNRNYUTHD-MRXNPFEDSA-N 0 0 312.369 4.213 10 30 DIEERN Cc1nc([C@@H](C)Nc2ccc(C#N)cc2Br)cs1 ZINC000037072374 337395273 /nfs/dbraw/zinc/39/52/73/337395273.db2.gz DLBWNODBTZCEJS-MRVPVSSYSA-N 0 0 322.231 4.259 10 30 DIEERN C[C@H](N[C@@H](c1ccccc1)c1ccncc1)c1ccc(C#N)s1 ZINC000134821657 337449819 /nfs/dbraw/zinc/44/98/19/337449819.db2.gz UXAJXILHBZBVLG-LIRRHRJNSA-N 0 0 319.433 4.455 10 30 DIEERN C[C@@H]1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)c2ccccc21 ZINC000162664718 337659331 /nfs/dbraw/zinc/65/93/31/337659331.db2.gz CXYFSTHWRHOZQG-QRWLVFNGSA-N 0 0 318.420 4.246 10 30 DIEERN CCc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc(C#N)c2)o1 ZINC000173199881 340360151 /nfs/dbraw/zinc/36/01/51/340360151.db2.gz FZFWFDKGYOCBPH-KRWDZBQOSA-N 0 0 323.396 4.473 10 30 DIEERN Cc1nc(N[C@@H](C)c2cccc(Br)c2)ccc1C#N ZINC000312028530 340450840 /nfs/dbraw/zinc/45/08/40/340450840.db2.gz YFXXWZHXGXLTBD-JTQLQIEISA-N 0 0 316.202 4.197 10 30 DIEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000185063207 340497753 /nfs/dbraw/zinc/49/77/53/340497753.db2.gz JVUJOIVXWLMUFY-RYUDHWBXSA-N 0 0 310.235 4.229 10 30 DIEERN C[C@@H](Nc1ccc(Br)cc1C#N)c1cncc(F)c1 ZINC000235209123 340657759 /nfs/dbraw/zinc/65/77/59/340657759.db2.gz CZBLLNZXWBORGA-SECBINFHSA-N 0 0 320.165 4.028 10 30 DIEERN COc1ccc(CN=Nc2nc(-c3cccs3)cs2)cc1 ZINC000033405215 523460802 /nfs/dbraw/zinc/46/08/02/523460802.db2.gz KQLSUDYVBXAXFZ-SXGWCWSVSA-N 0 0 315.423 4.326 10 30 DIEERN N#Cc1ccc(NC(=O)N2CC=C(c3ccccc3F)CC2)cc1 ZINC000161154202 526653342 /nfs/dbraw/zinc/65/33/42/526653342.db2.gz PNELVERGOYSQSE-UHFFFAOYSA-N 0 0 321.355 4.019 10 30 DIEERN O=C(/C=C/O/C=C\C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000032148363 527598106 /nfs/dbraw/zinc/59/81/06/527598106.db2.gz CATOHGSJDSHEKL-DSOJMZEYSA-N 0 0 314.287 4.074 10 30 DIEERN C=C1CC[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@H]1CCC1=CCOC1=O ZINC000071404496 560078250 /nfs/dbraw/zinc/07/82/50/560078250.db2.gz WKKBRRFSRMDTJB-HNJRGHQBSA-N 0 0 318.457 4.021 10 30 biogenic,in-vitro DIEERN C[C@H](C=O)[C@H]1CC[C@@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@]12C ZINC000026522164 563425768 /nfs/dbraw/zinc/42/57/68/563425768.db2.gz DCXYXPCMRLYABB-ILCCUAOLSA-N 0 0 314.425 4.263 10 30 DIEERN CC(C)(C)OC(=O)N(CCCCC#N)OCc1ccccc1 ZINC000039175238 563460836 /nfs/dbraw/zinc/46/08/36/563460836.db2.gz PMFJIAMYWRXMHN-UHFFFAOYSA-N 0 0 304.390 4.049 10 30 DIEERN CO/C(=N\N=C1C=C(C(C)C)C(=O)C(C(C)C)=C1)c1ccccc1 ZINC000048524205 563466929 /nfs/dbraw/zinc/46/69/29/563466929.db2.gz MHDDOMNJYJGBOM-XDOYNYLZSA-N 0 0 324.424 4.183 10 30 DIEERN CCC(C)N=Nc1nc2ccc(NC(=O)C(C)C)cc2s1 ZINC000078397589 563512544 /nfs/dbraw/zinc/51/25/44/563512544.db2.gz MRKXHZPREDYHKV-VCHYOVAHSA-N 0 0 304.419 4.089 10 30 DIEERN Cc1cscc1C(=O)NC[C@H]1CCCc2sc(C)nc21 ZINC000328635802 563790009 /nfs/dbraw/zinc/79/00/09/563790009.db2.gz VDPTVCUHXJELGA-LLVKDONJSA-N 0 0 306.456 4.246 10 30 DIEERN O=C(Nc1ccccc1)Nc1cncc(C#Cc2ccccc2)c1 ZINC000000170488 563840458 /nfs/dbraw/zinc/84/04/58/563840458.db2.gz OOHLFGUTKKBUJU-UHFFFAOYSA-N 0 0 313.360 4.125 10 30 DIEERN CCCCCCCCc1ccc(CCOS(C)(=O)=O)cc1 ZINC000147915006 563879495 /nfs/dbraw/zinc/87/94/95/563879495.db2.gz JDFKJMYGKUSROO-UHFFFAOYSA-N 0 0 312.475 4.108 10 30 DIEERN N#Cc1c(Cl)nc2c(Br)cccc2c1Cl ZINC000521399172 563927570 /nfs/dbraw/zinc/92/75/70/563927570.db2.gz IIKPJHCLCYTKLC-UHFFFAOYSA-N 0 0 301.958 4.176 10 30 DIEERN Cc1ccsc1C(=O)NC[C@H]1CCCc2sc(C)nc21 ZINC000328630085 563929903 /nfs/dbraw/zinc/92/99/03/563929903.db2.gz PNIHPMZKUROBLH-LLVKDONJSA-N 0 0 306.456 4.246 10 30 DIEERN C=C(CC)CC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960428 563961376 /nfs/dbraw/zinc/96/13/76/563961376.db2.gz LFXULBAPKPJWMV-UHFFFAOYSA-N 0 0 317.429 4.349 10 30 DIEERN C=CC[C@@H](C)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685962051 563961507 /nfs/dbraw/zinc/96/15/07/563961507.db2.gz SJPGPQBALXMOOT-OAHLLOKOSA-N 0 0 317.429 4.205 10 30 DIEERN C[C@@H](N[C@H](c1ccccc1)c1ccncc1)c1ccc(C#N)s1 ZINC000134821719 1036022222 /nfs/dbraw/zinc/02/22/22/1036022222.db2.gz UXAJXILHBZBVLG-AUUYWEPGSA-N 0 0 319.433 4.455 10 30 DIEERN Cc1[nH]nc(C(C)C)c1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329309695 1039414471 /nfs/dbraw/zinc/41/44/71/1039414471.db2.gz FOTGSFKDCZOHGO-GJZGRUSLSA-N 0 0 303.450 4.363 10 30 DIEERN C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)Cc1cccs1 ZINC000328668266 1043075173 /nfs/dbraw/zinc/07/51/73/1043075173.db2.gz LKGJVRFHBHCFAH-STQMWFEESA-N 0 0 308.447 4.172 10 30 DIEERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCC(=O)NC23CCC3)CC(C)(C)C1 ZINC000328761468 1043077533 /nfs/dbraw/zinc/07/75/33/1043077533.db2.gz YFNFGRRTLJBNPX-RDBSUJKOSA-N 0 0 306.450 4.447 10 30 DIEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1C ZINC000329026422 1043941638 /nfs/dbraw/zinc/94/16/38/1043941638.db2.gz OCORDHZBFSEWGT-KCYZZUKISA-N 0 0 319.449 4.077 10 30 DIEERN C[C@H](NC(=O)C[C@@H]1CCCCNC1=O)[C@@H](C)c1ccccc1 ZINC000329278900 1043960828 /nfs/dbraw/zinc/96/08/28/1043960828.db2.gz LKKRKPPBAMBFFW-YCPHGPKFSA-N 0 0 302.418 4.282 10 30 DIEERN C[C@@H]1C[C@H](C(=O)NCc2noc3c2CCCC3)CC(C)(C)C1 ZINC000329483252 1043989150 /nfs/dbraw/zinc/98/91/50/1043989150.db2.gz WJXDVXGXUFJABB-OLZOCXBDSA-N 0 0 304.434 4.472 10 30 DIEERN C=C[C@@](C)(CCCC(C)(C)O)C[C@@H](O)c1ccc(OC)cc1 ZINC000083260488 185221765 /nfs/dbraw/zinc/22/17/65/185221765.db2.gz BNSRMGLMWXGBOT-MJGOQNOKSA-N 0 0 306.446 4.252 10 30 DIEERN OC1(C#CC2(c3ccccc3)SCCS2)CCCCC1 ZINC000090697982 185309794 /nfs/dbraw/zinc/30/97/94/185309794.db2.gz NTWFSTWDNJYXCC-UHFFFAOYSA-N 0 0 304.480 4.018 10 30 DIEERN COc1ccc(OC)c(/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000498164 180808264 /nfs/dbraw/zinc/80/82/64/180808264.db2.gz OABXPWBJRKEWKH-MFOYZWKCSA-N 0 0 320.732 4.016 10 30 DIEERN CC(=O)c1ccc(N=Cc2ccc(Br)s2)cc1 ZINC000003152252 180986875 /nfs/dbraw/zinc/98/68/75/180986875.db2.gz ZWXSMVYZSXTRQF-OVCLIPMQSA-N 0 0 308.200 4.464 10 30 DIEERN CCCC(=O)Nc1ccc2sc(N=NC(C)CC)nc2c1 ZINC000078397592 191856945 /nfs/dbraw/zinc/85/69/45/191856945.db2.gz WWIHIXAKPLXZCN-VCHYOVAHSA-N 0 0 304.419 4.233 10 30 DIEERN CCC/C(=N\NC(=S)Nc1ccc(C)cc1)c1ccccc1 ZINC000005243637 181220953 /nfs/dbraw/zinc/22/09/53/181220953.db2.gz DLJUZBXCJKTMEC-LVZFUZTISA-N 0 0 311.454 4.486 10 30 DIEERN Cc1nc2c(c(-c3ccc(F)cc3)c1C#N)C(=O)c1ccccc1-2 ZINC000005749049 181280251 /nfs/dbraw/zinc/28/02/51/181280251.db2.gz LCYBVOUVUVABDH-UHFFFAOYSA-N 0 0 314.319 4.279 10 30 DIEERN CC(C)c1nc(C#N)c(N=NCc2ccc(Cl)c(Cl)c2)o1 ZINC000006633873 181363311 /nfs/dbraw/zinc/36/33/11/181363311.db2.gz XCXJQVMNMYFPND-CNHKJKLMSA-N 0 0 323.183 4.422 10 30 DIEERN COc1ccc(Br)cc1C=NNc1ccc(F)cc1 ZINC000006674992 181369260 /nfs/dbraw/zinc/36/92/60/181369260.db2.gz WMSZLPYRPBDZFW-RQZCQDPDSA-N 0 0 323.165 4.043 10 30 DIEERN CCCCOc1cccc(NC=C2C(=O)CC(C)(C)CC2=O)c1 ZINC000010120806 181657770 /nfs/dbraw/zinc/65/77/70/181657770.db2.gz IUHLLSQETNWYPI-UHFFFAOYSA-N 0 0 315.413 4.120 10 30 DIEERN C=CCOc1ccccc1NC(=O)/C=C/c1ccc(OCC)cc1 ZINC000013620605 181869455 /nfs/dbraw/zinc/86/94/55/181869455.db2.gz IOPGNAFLQHWSFX-SDNWHVSQSA-N 0 0 323.392 4.302 10 30 DIEERN COc1cc([C@@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@@H]32)ccc1O ZINC000014458947 181953315 /nfs/dbraw/zinc/95/33/15/181953315.db2.gz JJCUFZXEOFSIAK-DOXZYTNZSA-N 0 0 318.376 4.099 10 30 DIEERN S=C1N=NC(C2CCCCC2)N1N=CC=Cc1ccccc1 ZINC000015979112 182026940 /nfs/dbraw/zinc/02/69/40/182026940.db2.gz VCVALGNZBFXITM-DQBOXZGESA-N 0 0 312.442 4.162 10 30 DIEERN O=C1C=Cc2ccccc2C1=NNc1ccc(Cl)cc1Cl ZINC000017327077 182084095 /nfs/dbraw/zinc/08/40/95/182084095.db2.gz AMBGAFDEKPHXNC-CAPFRKAQSA-N 0 0 317.175 4.406 10 30 DIEERN COc1cc(/C(C)=N/O)ccc1OCc1ccc(Cl)cc1 ZINC000019230550 182109321 /nfs/dbraw/zinc/10/93/21/182109321.db2.gz PODZTVVLMMTERR-WOJGMQOQSA-N 0 0 305.761 4.126 10 30 DIEERN C[C@H](Nc1ccccc1C#N)c1ccc(Br)cc1 ZINC000019921481 182164252 /nfs/dbraw/zinc/16/42/52/182164252.db2.gz LXEFNFQUMANOAD-NSHDSACASA-N 0 0 301.187 4.494 10 30 DIEERN C[C@@H](Nc1cccc(C#N)c1)c1cccc(Br)c1 ZINC000019922057 182164483 /nfs/dbraw/zinc/16/44/83/182164483.db2.gz NRPOXNPKWTVBGJ-LLVKDONJSA-N 0 0 301.187 4.494 10 30 DIEERN C[C@@H](Nc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000019950969 182169695 /nfs/dbraw/zinc/16/96/95/182169695.db2.gz WCHLDIGTQZPIDK-LLVKDONJSA-N 0 0 301.187 4.494 10 30 DIEERN C=C(Cn1c(=O)ccc2ccccc21)C(=O)c1ccc(Cl)cc1 ZINC000029243010 182558142 /nfs/dbraw/zinc/55/81/42/182558142.db2.gz OSIKWOZVGVIBBT-UHFFFAOYSA-N 0 0 323.779 4.094 10 30 DIEERN O=C(/C=C\c1cc(Br)ccc1O)c1ccccc1 ZINC000033378723 182708406 /nfs/dbraw/zinc/70/84/06/182708406.db2.gz FNYFFVOPARYGTR-VURMDHGXSA-N 0 0 303.155 4.051 10 30 DIEERN N#C[C@H](NC1CCCCCC1)c1ccccc1Br ZINC000037970287 182944703 /nfs/dbraw/zinc/94/47/03/182944703.db2.gz FKCIUPSANPSTRY-HNNXBMFYSA-N 0 0 307.235 4.326 10 30 DIEERN COc1ccc(Cl)cc1CNc1ccc(Cl)c(C#N)c1 ZINC000037981044 182951443 /nfs/dbraw/zinc/95/14/43/182951443.db2.gz KYWSXNIBIKXCRW-UHFFFAOYSA-N 0 0 307.180 4.486 10 30 DIEERN N#C[C@H](Nc1cccc(F)c1)c1ccccc1Br ZINC000037937112 182939676 /nfs/dbraw/zinc/93/96/76/182939676.db2.gz RGPQXIOETFLNIW-AWEZNQCLSA-N 0 0 305.150 4.265 10 30 DIEERN N#C[C@H](Nc1cccc(Br)c1)c1c(F)cccc1F ZINC000037937447 182939790 /nfs/dbraw/zinc/93/97/90/182939790.db2.gz JJESXNOXICFPBU-ZDUSSCGKSA-N 0 0 323.140 4.404 10 30 DIEERN CCCCS[C@](C)(C/C(=N/OC(=O)NC)C1CC1)C1CC1 ZINC000040166303 183042580 /nfs/dbraw/zinc/04/25/80/183042580.db2.gz WWUWVRVSAZFBMC-VVZNPABPSA-N 0 0 312.479 4.201 10 30 DIEERN N#Cc1ccc(-c2cnc3ccc(NC4CCCCC4)nn32)cc1 ZINC000040973830 183153988 /nfs/dbraw/zinc/15/39/88/183153988.db2.gz DJWHAISGEPYECC-UHFFFAOYSA-N 0 0 317.396 4.013 10 30 DIEERN CN(Cc1cc(Br)cs1)[C@@H]1CCCC[C@@H]1C#N ZINC000042399180 183264659 /nfs/dbraw/zinc/26/46/59/183264659.db2.gz NFZHNFQRPJIPKW-ZWNOBZJWSA-N 0 0 313.264 4.025 10 30 DIEERN CCN(C[C@H](C)C#N)C(=O)Nc1cc(Cl)ccc1Cl ZINC000042449401 183271801 /nfs/dbraw/zinc/27/18/01/183271801.db2.gz ZKWZRDXGSMMYDJ-SECBINFHSA-N 0 0 300.189 4.007 10 30 DIEERN C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(C(C)(C)C)cc1 ZINC000043744654 183384161 /nfs/dbraw/zinc/38/41/61/183384161.db2.gz PAIBXLFSCGSKDE-AWEZNQCLSA-N 0 0 306.409 4.347 10 30 DIEERN CCCCCCCCCCNc1cc(-c2nc(N)n[nH]2)ccn1 ZINC000044117638 183394833 /nfs/dbraw/zinc/39/48/33/183394833.db2.gz MADGKYFDAKVEBA-UHFFFAOYSA-N 0 0 316.453 4.002 10 30 DIEERN O=C(/C=C/c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000059422828 184138293 /nfs/dbraw/zinc/13/82/93/184138293.db2.gz YWKPRLFQYGMRJR-JLHYYAGUSA-N 0 0 317.344 4.428 10 30 DIEERN N#Cc1ncccc1COc1cc(Cl)c(Cl)cc1Cl ZINC000061664807 184181762 /nfs/dbraw/zinc/18/17/62/184181762.db2.gz RSWMLAAEPACXRJ-UHFFFAOYSA-N 0 0 313.571 4.492 10 30 DIEERN N#Cc1cccnc1Nc1cc(Br)ccc1Cl ZINC000061692654 184183590 /nfs/dbraw/zinc/18/35/90/184183590.db2.gz JGIBTWVZNWLXON-UHFFFAOYSA-N 0 0 308.566 4.113 10 30 DIEERN CC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)C3=CC[C@]12C ZINC000256375443 257104372 /nfs/dbraw/zinc/10/43/72/257104372.db2.gz DNUWMYUNKVSEGO-RCVZYCBYSA-N 0 0 308.421 4.340 10 30 DIEERN N#Cc1nc(-c2ccc(F)cc2)oc1N1CCCc2ccccc21 ZINC000006548776 134475662 /nfs/dbraw/zinc/47/56/62/134475662.db2.gz GAHMTGFXNLZDJD-UHFFFAOYSA-N 0 0 319.339 4.437 10 30 DIEERN N#Cc1ccc(Cl)cc1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000086114622 331748617 /nfs/dbraw/zinc/74/86/17/331748617.db2.gz AEYDUNIYVCFVBJ-UHFFFAOYSA-N 0 0 322.151 4.385 10 30 DIEERN Cc1c(Cl)cc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1Cl ZINC000408164466 332023166 /nfs/dbraw/zinc/02/31/66/332023166.db2.gz ICTJAAMBTVVLES-TVQRCGJNSA-N 0 0 312.200 4.116 10 30 DIEERN Cc1cccc(C2(C(=O)N[C@H]3CCC[C@H]3C#N)CCCCC2)c1 ZINC000408338655 332482219 /nfs/dbraw/zinc/48/22/19/332482219.db2.gz LYQYQJBMRARDRC-WMZOPIPTSA-N 0 0 310.441 4.005 10 30 DIEERN CCc1ccc([C@H]2CCCCN2C(=O)c2cc(C#N)cs2)o1 ZINC000177096049 332971521 /nfs/dbraw/zinc/97/15/21/332971521.db2.gz WIXDESKWHZAFQA-CQSZACIVSA-N 0 0 314.410 4.143 10 30 DIEERN N#Cc1ccc(N[C@@H]2CCc3cc(Br)ccc32)cc1 ZINC000040226320 333341566 /nfs/dbraw/zinc/34/15/66/333341566.db2.gz LCJCASLABMWHLF-MRXNPFEDSA-N 0 0 313.198 4.420 10 30 DIEERN C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000187196838 333426405 /nfs/dbraw/zinc/42/64/05/333426405.db2.gz JMCKCUFFLHBPRP-ZDUSSCGKSA-N 0 0 324.811 4.121 10 30 DIEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000185560502 335141282 /nfs/dbraw/zinc/14/12/82/335141282.db2.gz YLWOSLBEECETBG-KGLIPLIRSA-N 0 0 306.475 4.014 10 30 DIEERN O=C(Oc1c(Cl)cc(/C=N/O)cc1Cl)c1ccccc1 ZINC000253570590 333776270 /nfs/dbraw/zinc/77/62/70/333776270.db2.gz NUUNNUZLTJOFGV-CAOOACKPSA-N 0 0 310.136 4.021 10 30 DIEERN C[C@@H]1CCC[C@H](C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000328654882 334745964 /nfs/dbraw/zinc/74/59/64/334745964.db2.gz MFHIKHCXKKMWBB-BSWAZPDLSA-N 0 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N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000178799802 341965572 /nfs/dbraw/zinc/96/55/72/341965572.db2.gz FSLYBFZJAKCPSY-SNVBAGLBSA-N 0 0 322.252 4.356 10 30 DIEERN Cc1cc(NCc2sccc2Br)c(C#N)c(C)n1 ZINC000157463131 525283936 /nfs/dbraw/zinc/28/39/36/525283936.db2.gz STJBVVJOUVLZPN-UHFFFAOYSA-N 0 0 322.231 4.006 10 30 DIEERN CC(=O)c1ccc(Oc2ncc(C#N)cc2Cl)c(Cl)c1 ZINC000120388891 534872355 /nfs/dbraw/zinc/87/23/55/534872355.db2.gz CHXNXTNSSQPTCD-UHFFFAOYSA-N 0 0 307.136 4.255 10 30 DIEERN CC(=O)c1ccc(Oc2ccc(Cl)c(C#N)n2)c(Cl)c1 ZINC000120371610 534872360 /nfs/dbraw/zinc/87/23/60/534872360.db2.gz KAGZWJFVGCWDBC-UHFFFAOYSA-N 0 0 307.136 4.255 10 30 DIEERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(Cl)cc1 ZINC000157538823 525709503 /nfs/dbraw/zinc/70/95/03/525709503.db2.gz FJZNABCEPADMLZ-SNVBAGLBSA-N 0 0 301.733 4.293 10 30 DIEERN CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 ZINC000003978548 560192658 /nfs/dbraw/zinc/19/26/58/560192658.db2.gz XDYGCIOWNPNVIH-YZGWKJHDSA-N 0 0 316.441 4.305 10 30 in-vitro DIEERN CCN(CC)/C(=C\C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000005311380 563329972 /nfs/dbraw/zinc/32/99/72/563329972.db2.gz OYGWHLNSQUYWRY-JXAWBTAJSA-N 0 0 324.380 4.160 10 30 DIEERN CC1(C)CCc2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3)c2O1 ZINC000028975484 563556742 /nfs/dbraw/zinc/55/67/42/563556742.db2.gz SEDVPKQZRCGYNR-WEVVVXLNSA-N 0 0 324.376 4.098 10 30 DIEERN C=C1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]12 ZINC000118912704 563592703 /nfs/dbraw/zinc/59/27/03/563592703.db2.gz KMNSRETXNDRTCN-YZOVGUKHSA-N 0 0 300.442 4.045 10 30 DIEERN C=CCOc1ccc(-c2noc(-c3cccc(C)c3)n2)cc1OC ZINC000037547694 563918814 /nfs/dbraw/zinc/91/88/14/563918814.db2.gz TVUCZXVPYUHKHH-UHFFFAOYSA-N 0 0 322.364 4.285 10 30 DIEERN COc1ccc2c(c1C)CCC/C2=N\OC(=O)c1ccccc1C ZINC000048523640 563923907 /nfs/dbraw/zinc/92/39/07/563923907.db2.gz LPQNNSQNWDFBNO-DYTRJAOYSA-N 0 0 323.392 4.209 10 30 DIEERN CCC(C)N=Nc1nc2ccc(N3CCCC[C@H]3C)cc2s1 ZINC000078397655 563959908 /nfs/dbraw/zinc/95/99/08/563959908.db2.gz QJRVZCHTDNZEJF-KZKLBEMASA-N 0 0 316.474 4.873 10 30 DIEERN C=C(C)CC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685958825 563961341 /nfs/dbraw/zinc/96/13/41/563961341.db2.gz BWUJOZMZWAGZRH-UHFFFAOYSA-N 0 0 317.429 4.349 10 30 DIEERN C[C@@H](N[C@@H](C)c1ccc(C#N)s1)c1noc(-c2ccccc2)n1 ZINC000135089178 1037553680 /nfs/dbraw/zinc/55/36/80/1037553680.db2.gz WHPKCGCIJYXGKO-NWDGAFQWSA-N 0 0 324.409 4.082 10 30 DIEERN CC1(C)C[C@H]1NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CC1(C)C ZINC000328873999 1038162442 /nfs/dbraw/zinc/16/24/42/1038162442.db2.gz JGOIDPGGDXLDEB-SYQHCUMBSA-N 0 0 306.450 4.303 10 30 DIEERN Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000329038990 1038577384 /nfs/dbraw/zinc/57/73/84/1038577384.db2.gz SFEJVMLVIOZFTR-WNRNVDISSA-N 0 0 312.413 4.112 10 30 DIEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000328644471 1043074014 /nfs/dbraw/zinc/07/40/14/1043074014.db2.gz GPYDHIOORMKHPJ-GOEBONIOSA-N 0 0 318.392 4.449 10 30 DIEERN Cc1ccc([C@H](C)CNC(=O)C[C@H]2CCCCC(=O)N2)cc1 ZINC000328675974 1043074371 /nfs/dbraw/zinc/07/43/71/1043074371.db2.gz RGQUZJCYJNNQIP-GDBMZVCRSA-N 0 0 302.418 4.344 10 30 DIEERN C[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)c1ccc(Cl)cn1 ZINC000328742147 1043075717 /nfs/dbraw/zinc/07/57/17/1043075717.db2.gz JHQMLYMYCNXQHT-CMPLNLGQSA-N 0 0 309.797 4.042 10 30 DIEERN CC(C)[Si](C#C[C@H](O)C#C[Si](C)(C)C)(C(C)C)C(C)C ZINC000195756279 1043282954 /nfs/dbraw/zinc/28/29/54/1043282954.db2.gz ZVUCWTAOYQSPHB-QGZVFWFLSA-N 0 0 308.614 4.450 10 30 DIEERN Cc1ccc([C@H](C)CNC(=O)C[C@H]2CCCCNC2=O)cc1 ZINC000329268076 1043959157 /nfs/dbraw/zinc/95/91/57/1043959157.db2.gz GILBKBYLXGMYNQ-GDBMZVCRSA-N 0 0 302.418 4.202 10 30 DIEERN Cc1cc(C)cc(C[C@H](C)NC(=O)C[C@@H]2CCCCNC2=O)c1 ZINC000329294109 1043963844 /nfs/dbraw/zinc/96/38/44/1043963844.db2.gz RUDSPSDBPIENII-RDJZCZTQSA-N 0 0 316.445 4.338 10 30 DIEERN C[C@H](CNC(=O)C[C@H]1CCCCNC1=O)Cc1cccs1 ZINC000329302603 1043965771 /nfs/dbraw/zinc/96/57/71/1043965771.db2.gz 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ZINC000090562765 185303805 /nfs/dbraw/zinc/30/38/05/185303805.db2.gz MAWMVZIZUIIRDZ-UHFFFAOYSA-N 0 0 321.767 4.267 10 30 DIEERN Cc1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000072265837 191089556 /nfs/dbraw/zinc/08/95/56/191089556.db2.gz LZUGALCGTWLULT-UHFFFAOYSA-N 0 0 300.177 4.161 10 30 DIEERN Cc1ccc(NC(=S)N/N=C/c2ccc(C(C)C)cc2)cc1 ZINC000000502728 180808696 /nfs/dbraw/zinc/80/86/96/180808696.db2.gz QMGVUGOHDBKWDX-XDHOZWIPSA-N 0 0 311.454 4.439 10 30 DIEERN O=[N+]([O-])c1cccc(NN=Cc2c(Cl)cccc2Cl)c1 ZINC000005020374 181191859 /nfs/dbraw/zinc/19/18/59/181191859.db2.gz XPTXVTRSGMGMLT-LZYBPNLTSA-N 0 0 310.140 4.348 10 30 DIEERN C(=NNc1ccccc1)c1c(-c2ccccc2)nc2ccccn21 ZINC000005072600 181201215 /nfs/dbraw/zinc/20/12/15/181201215.db2.gz KYJWVHZJHXYUBF-RCCKNPSSSA-N 0 0 312.376 4.447 10 30 DIEERN CCC(=O)Nc1ccc(Cl)c2nc(N=NC(C)CC)sc21 ZINC000078397628 191856502 /nfs/dbraw/zinc/85/65/02/191856502.db2.gz ZMXNPWZNDUELFR-QGMBQPNBSA-N 0 0 324.837 4.496 10 30 DIEERN O/N=C(/c1ccccc1)c1ccc(/C(=N\O)c2ccccc2)cc1 ZINC000005515142 181252451 /nfs/dbraw/zinc/25/24/51/181252451.db2.gz SIEFQSQPJSPKTI-WRBBJXAJSA-N 0 0 316.360 4.140 10 30 DIEERN N#CC(Cl)(C#N)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000005604321 181262994 /nfs/dbraw/zinc/26/29/94/181262994.db2.gz BMVCGKXYJSEZKH-INIZCTEOSA-N 0 0 308.768 4.068 10 30 DIEERN C=C(C)Cn1cnc2scc(-c3ccc(CC)cc3)c2c1=O ZINC000005608062 181263294 /nfs/dbraw/zinc/26/32/94/181263294.db2.gz WGOCDQXCAMEHQZ-UHFFFAOYSA-N 0 0 310.422 4.264 10 30 DIEERN N#Cc1ccc(OCC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000005868511 181291986 /nfs/dbraw/zinc/29/19/86/181291986.db2.gz MOZULTNWSXMZOB-UHFFFAOYSA-N 0 0 306.148 4.127 10 30 DIEERN CCN(CC)c1ccc(/C=N/c2ccc3nccnc3c2)cc1 ZINC000005927894 181297304 /nfs/dbraw/zinc/29/73/04/181297304.db2.gz DUSQFIAHMAKKKQ-HYARGMPZSA-N 0 0 304.397 4.227 10 30 DIEERN Brc1cccc(C=Nc2ccc3[nH]cnc3c2)c1 ZINC000005942028 181299151 /nfs/dbraw/zinc/29/91/51/181299151.db2.gz OHBZGKUISCAOSP-LZYBPNLTSA-N 0 0 300.159 4.076 10 30 DIEERN COc1ccc(C=NNc2ccc(F)cc2)cc1Br ZINC000007949193 181509966 /nfs/dbraw/zinc/50/99/66/181509966.db2.gz UPLINGDNHZVKSM-RQZCQDPDSA-N 0 0 323.165 4.043 10 30 DIEERN COc1ccccc1[C@@H]1Nc2c(C#N)cccc2[C@H]2C=CC[C@@H]21 ZINC000014545963 181957461 /nfs/dbraw/zinc/95/74/61/181957461.db2.gz KGPXQGAGMMASQN-PTSWNOGYSA-N 0 0 302.377 4.393 10 30 DIEERN Cc1cc(C)c(C#N)c(Oc2ccc(Br)cc2F)n1 ZINC000015113955 181989888 /nfs/dbraw/zinc/98/98/88/181989888.db2.gz YRLMGWYULQKEBM-UHFFFAOYSA-N 0 0 321.149 4.264 10 30 DIEERN CC(=O)Oc1ccccc1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000017314051 182082754 /nfs/dbraw/zinc/08/27/54/182082754.db2.gz DNSODJKPYVIQPJ-FLIBITNWSA-N 0 0 300.741 4.161 10 30 DIEERN N#Cc1ccnc(Oc2ccc(Cl)cc2Br)c1 ZINC000019515621 182127138 /nfs/dbraw/zinc/12/71/38/182127138.db2.gz USQQNYRPJCQWCX-UHFFFAOYSA-N 0 0 309.550 4.161 10 30 DIEERN C/C(=N\O)c1ccc(OCc2ccccc2Br)cc1 ZINC000019809177 182152539 /nfs/dbraw/zinc/15/25/39/182152539.db2.gz FEJFPFKIACUORS-GZTJUZNOSA-N 0 0 320.186 4.226 10 30 DIEERN C/C(=N\O)c1cccc(OCc2ccc(Br)cc2)c1 ZINC000019809376 182152685 /nfs/dbraw/zinc/15/26/85/182152685.db2.gz CIQJJEBSLYBFPU-GZTJUZNOSA-N 0 0 320.186 4.226 10 30 DIEERN C[C@H](Nc1ccccc1C#N)c1ccccc1Br ZINC000019921582 182164472 /nfs/dbraw/zinc/16/44/72/182164472.db2.gz JCSGJWGDRWBFMF-NSHDSACASA-N 0 0 301.187 4.494 10 30 DIEERN CCCCOc1ccc2c(c1)Cc1cc(N(O)C(C)=O)ccc1-2 ZINC000029239137 182558132 /nfs/dbraw/zinc/55/81/32/182558132.db2.gz GGGMXYLAYAZPNJ-UHFFFAOYSA-N 0 0 311.381 4.179 10 30 DIEERN C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C ZINC000100899663 193806179 /nfs/dbraw/zinc/80/61/79/193806179.db2.gz ISTBXSFGFOYLTM-NZEDGPFZSA-N 0 0 316.441 4.392 10 30 in-vitro DIEERN COc1ccc(N[C@H](C#N)c2cccc(Br)c2)cc1 ZINC000037936546 182939861 /nfs/dbraw/zinc/93/98/61/182939861.db2.gz UYTNFVIXSOVGHV-OAHLLOKOSA-N 0 0 317.186 4.134 10 30 DIEERN N#C[C@@H](c1cc(Br)ccc1F)N1CCCCCC1 ZINC000038086136 182987778 /nfs/dbraw/zinc/98/77/78/182987778.db2.gz WHLQKRSPDYGPMS-AWEZNQCLSA-N 0 0 311.198 4.029 10 30 DIEERN CCOC(=O)[C@]1(CCCc2ccccc2)OC12CCCCC2 ZINC000040639238 183113567 /nfs/dbraw/zinc/11/35/67/183113567.db2.gz PNRJPUMBFQIFPN-IBGZPJMESA-N 0 0 302.414 4.044 10 30 DIEERN COc1ccc(C(=O)/C=C/c2ccc3ccccc3n2)c(OC)c1 ZINC000040753891 183129874 /nfs/dbraw/zinc/12/98/74/183129874.db2.gz CMHOQKWZEBSTDG-FMIVXFBMSA-N 0 0 319.360 4.148 10 30 DIEERN Cc1cc(C#N)c(Cl)nc1-c1ccc(Br)cc1 ZINC000043404728 183358948 /nfs/dbraw/zinc/35/89/48/183358948.db2.gz IDDIVFRHUKMHMR-UHFFFAOYSA-N 0 0 307.578 4.345 10 30 DIEERN C#CCn1cnc(-c2ccccc2)c1-c1ccc(OC)cc1C ZINC000065507849 184356455 /nfs/dbraw/zinc/35/64/55/184356455.db2.gz MNHJAKFATXQRJQ-UHFFFAOYSA-N 0 0 302.377 4.167 10 30 DIEERN C=C1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000118912720 256585703 /nfs/dbraw/zinc/58/57/03/256585703.db2.gz HRVOUMJOOZFBIQ-OBQKJFGGSA-N 0 0 314.469 4.435 10 30 DIEERN C=C(C)Cc1cc(C)cc(-n2nc3ccc(Cl)cc3n2)c1O ZINC000504469484 257132070 /nfs/dbraw/zinc/13/20/70/257132070.db2.gz SLNPCKYEPPWHGO-UHFFFAOYSA-N 0 0 313.788 4.207 10 30 DIEERN Cc1nc(CNc2ccc(C#N)cc2Br)c(C)s1 ZINC000120469029 132142212 /nfs/dbraw/zinc/14/22/12/132142212.db2.gz ZJYOCHHSBUYBBM-UHFFFAOYSA-N 0 0 322.231 4.006 10 30 DIEERN N#Cc1cccc(N2CCc3nc(C4CCCCC4)oc3C2)c1 ZINC000064540616 134815566 /nfs/dbraw/zinc/81/55/66/134815566.db2.gz OVFVGXZZLLWLTD-UHFFFAOYSA-N 0 0 307.397 4.157 10 30 DIEERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(Cl)s1 ZINC000127790394 332008524 /nfs/dbraw/zinc/00/85/24/332008524.db2.gz NXSUJMDNRRFBIY-MRVPVSSYSA-N 0 0 307.762 4.354 10 30 DIEERN Cc1c(Cl)cc(NC(=O)N[C@H]2CCC[C@@H]2C#N)cc1Cl ZINC000408164465 332022956 /nfs/dbraw/zinc/02/29/56/332022956.db2.gz ICTJAAMBTVVLES-RNCFNFMXSA-N 0 0 312.200 4.116 10 30 DIEERN N#CCC[C@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000151459804 332202633 /nfs/dbraw/zinc/20/26/33/332202633.db2.gz BANRLMAXEYSPRR-DLBZAZTESA-N 0 0 323.396 4.171 10 30 DIEERN CC(C)CCOc1ccc([C@@H](C)NC[C@@H](C#N)CCC#N)cc1 ZINC000112540244 332314317 /nfs/dbraw/zinc/31/43/17/332314317.db2.gz JMQMRHAWUBZEQU-IAGOWNOFSA-N 0 0 313.445 4.206 10 30 DIEERN N#CC1(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CCCC1 ZINC000129956464 332526656 /nfs/dbraw/zinc/52/66/56/332526656.db2.gz PNBOSQVSYVRRPI-INIZCTEOSA-N 0 0 324.424 4.023 10 30 DIEERN Cc1ccc([C@H]2CCCCN2C(=O)c2cccc(CC#N)c2)o1 ZINC000172667863 333065690 /nfs/dbraw/zinc/06/56/90/333065690.db2.gz DJTUSAQMJQFYBY-QGZVFWFLSA-N 0 0 308.381 4.022 10 30 DIEERN CC(=O)N=C1C=CC(=C/C=C2\C=CN(C)c3ccccc32)C=C1 ZINC000367628671 333198519 /nfs/dbraw/zinc/19/85/19/333198519.db2.gz UDNCJGIBPVCNHP-MWOFTJMDSA-N 0 0 302.377 4.073 10 30 DIEERN C[C@H](COCc1ccccc1)Nc1cc(Cl)ccc1C#N ZINC000390704344 333316837 /nfs/dbraw/zinc/31/68/37/333316837.db2.gz PENGQGFMWCWNPY-CYBMUJFWSA-N 0 0 300.789 4.229 10 30 DIEERN C[C@@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000124747869 333498224 /nfs/dbraw/zinc/49/82/24/333498224.db2.gz GCYBRSLMYBLRKC-SNVBAGLBSA-N 0 0 301.733 4.293 10 30 DIEERN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C=C[C@]12C ZINC000263590096 333945438 /nfs/dbraw/zinc/94/54/38/333945438.db2.gz XMUAORABVRJUDU-WCAYHLDQSA-N 0 0 312.453 4.500 10 30 DIEERN C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)c1ccc(F)cc1 ZINC000328681449 334748690 /nfs/dbraw/zinc/74/86/90/334748690.db2.gz VBULSEIYYFMASC-IUODEOHRSA-N 0 0 306.381 4.175 10 30 DIEERN Cc1ncc(NC(=O)[C@H]2CCCO[C@H]2c2ccccc2)s1 ZINC000328785217 334756839 /nfs/dbraw/zinc/75/68/39/334756839.db2.gz KJTVKMMJTUKPNA-ZFWWWQNUSA-N 0 0 302.399 4.207 10 30 DIEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@H]1CCCc2ccccc21 ZINC000328792035 334757325 /nfs/dbraw/zinc/75/73/25/334757325.db2.gz RGORKAZMOPJCNF-JKSUJKDBSA-N 0 0 314.429 4.210 10 30 DIEERN C[C@@H]1CC(CNC(=O)c2scnc2C2CCCC2)C[C@@H](C)O1 ZINC000328934927 334765743 /nfs/dbraw/zinc/76/57/43/334765743.db2.gz QFCPZXGTNKJMNW-VXGBXAGGSA-N 0 0 322.474 4.309 10 30 DIEERN C=CC[C@H](C)NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000126520189 334861414 /nfs/dbraw/zinc/86/14/14/334861414.db2.gz QZKHYSUGMQBTMP-GOEBONIOSA-N 0 0 314.429 4.087 10 30 DIEERN C[C@H](CNC(=O)C[C@H]1CCCCNC1=O)c1ccc(F)cc1 ZINC000329236393 335954210 /nfs/dbraw/zinc/95/42/10/335954210.db2.gz JMYSTZAAUOVVQZ-TZMCWYRMSA-N 0 0 306.381 4.032 10 30 DIEERN C[C@H](CNC(=O)C[C@@H]1CCCCNC1=O)c1ccc(F)cc1 ZINC000329236392 335954339 /nfs/dbraw/zinc/95/43/39/335954339.db2.gz JMYSTZAAUOVVQZ-OCCSQVGLSA-N 0 0 306.381 4.032 10 30 DIEERN CC(C)(C)Cc1csc(NC(=O)C[C@H]2CCCCNC2=O)n1 ZINC000329250200 335956166 /nfs/dbraw/zinc/95/61/66/335956166.db2.gz AZYXNHUSDNLSEC-LLVKDONJSA-N 0 0 323.462 4.466 10 30 DIEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329353699 335967470 /nfs/dbraw/zinc/96/74/70/335967470.db2.gz VBEKZIWLRUVTRG-JYJNAYRXSA-N 0 0 306.450 4.306 10 30 DIEERN Cc1ncsc1NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000329558823 335993693 /nfs/dbraw/zinc/99/36/93/335993693.db2.gz IFEZQQVUGDVHAA-KGLIPLIRSA-N 0 0 302.399 4.207 10 30 DIEERN O=C(Nc1ncn(C2CCCCC2)n1)[C@H]1CCc2ccccc21 ZINC000329572018 335996216 /nfs/dbraw/zinc/99/62/16/335996216.db2.gz QZBNMVFMDBJWIH-INIZCTEOSA-N 0 0 310.401 4.101 10 30 DIEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000329650923 336028455 /nfs/dbraw/zinc/02/84/55/336028455.db2.gz KCQTYLCRDVRXOA-OKZBNKHCSA-N 0 0 311.429 4.210 10 30 DIEERN CC(C)c1c(NC(=O)N2C[C@@H]3CCC[C@@H]32)cnn1-c1ccccc1 ZINC000330180741 336121608 /nfs/dbraw/zinc/12/16/08/336121608.db2.gz NMXQSGPEJPAOCE-YOEHRIQHSA-N 0 0 324.428 4.026 10 30 DIEERN Cc1noc(-c2ccccc2)c1NC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000330227620 336126944 /nfs/dbraw/zinc/12/69/44/336126944.db2.gz CBOUMQXBASGXRQ-UKRRQHHQSA-N 0 0 311.385 4.070 10 30 DIEERN Cc1ccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)cc1-c1ncco1 ZINC000330260876 336130914 /nfs/dbraw/zinc/13/09/14/336130914.db2.gz SZWKKGHTXOYBRD-CJNGLKHVSA-N 0 0 311.385 4.070 10 30 DIEERN O=C(Nc1ccnc(Oc2ccccc2)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000330265179 336131363 /nfs/dbraw/zinc/13/13/63/336131363.db2.gz YXCDKWJDOAAILS-PBHICJAKSA-N 0 0 323.396 4.294 10 30 DIEERN C[C@@H](NC(=O)[C@@H](C)c1cncnc1)C12CC3CC(CC(C3)C1)C2 ZINC000330280720 336133374 /nfs/dbraw/zinc/13/33/74/336133374.db2.gz SWDPWFOMEJCBSE-FUUWLHQZSA-N 0 0 313.445 4.142 10 30 DIEERN N#Cc1cnc2ccc(Cl)cc2c1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000301431183 336306320 /nfs/dbraw/zinc/30/63/20/336306320.db2.gz QNOBGQCPVPLQHT-CHWSQXEVSA-N 0 0 309.800 4.162 10 30 DIEERN Cc1cnc(CCNc2c(C#N)cnc3c(C)cc(C)cc32)s1 ZINC000301435632 336306618 /nfs/dbraw/zinc/30/66/18/336306618.db2.gz RWWOKDGOOCNLLX-UHFFFAOYSA-N 0 0 322.437 4.143 10 30 DIEERN N#Cc1cc(F)c(N[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000301553084 336314449 /nfs/dbraw/zinc/31/44/49/336314449.db2.gz VZKSBVYYPJQEQK-UWVGGRQHSA-N 0 0 304.262 4.369 10 30 DIEERN Cn1c(Cl)c(Cl)cc1CNc1c(F)cc(C#N)cc1F ZINC000301615887 336318482 /nfs/dbraw/zinc/31/84/82/336318482.db2.gz BQYPDMCNHIFZKN-UHFFFAOYSA-N 0 0 316.138 4.094 10 30 DIEERN CC1(C)C[C@H](Nc2ccc(Cl)c(C#N)n2)c2ccccc2O1 ZINC000301667812 336322123 /nfs/dbraw/zinc/32/21/23/336322123.db2.gz PCVKZQWHEHLRHX-ZDUSSCGKSA-N 0 0 313.788 4.321 10 30 DIEERN CO[C@@H]1CCC[C@@H](Nc2cc(C#N)c3cc(Cl)ccc3n2)C1 ZINC000301792448 336330218 /nfs/dbraw/zinc/33/02/18/336330218.db2.gz RQHBRMLYEVNVNG-ZIAGYGMSSA-N 0 0 315.804 4.129 10 30 DIEERN Cc1cc(Sc2nnc(-c3ccccc3C)o2)c(C#N)c(C)n1 ZINC000301799217 336330803 /nfs/dbraw/zinc/33/08/03/336330803.db2.gz VESBDAVQDDRCIA-UHFFFAOYSA-N 0 0 322.393 4.080 10 30 DIEERN CSc1ccc(CN(C)c2cc(C(C)=O)ccc2C#N)cc1 ZINC000302095384 336348239 /nfs/dbraw/zinc/34/82/39/336348239.db2.gz IUUNEQKIWTZGLG-UHFFFAOYSA-N 0 0 310.422 4.119 10 30 DIEERN CC(=O)c1ccc(C#N)c(N[C@H]2C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000302110134 336348938 /nfs/dbraw/zinc/34/89/38/336348938.db2.gz PEDCUBJDUPVQAX-AEFFLSMTSA-N 0 0 310.784 4.382 10 30 DIEERN CC(=O)c1ccc(C#N)c(NCC2(c3ccccc3F)CC2)c1 ZINC000302116479 336349323 /nfs/dbraw/zinc/34/93/23/336349323.db2.gz RQDUNJGKMCIXHI-UHFFFAOYSA-N 0 0 308.356 4.044 10 30 DIEERN C#C[C@]1(O)CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21CC ZINC000306122457 336397619 /nfs/dbraw/zinc/39/76/19/336397619.db2.gz VDKWHNVDYOVIIX-TXVWBRJLSA-N 0 0 310.437 4.003 10 30 DIEERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(C#N)cc2)o1 ZINC000173198684 337133605 /nfs/dbraw/zinc/13/36/05/337133605.db2.gz ANUYPUBGRNWNAL-INIZCTEOSA-N 0 0 309.369 4.219 10 30 DIEERN C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1ccc(C#N)s1 ZINC000179387798 337167575 /nfs/dbraw/zinc/16/75/75/337167575.db2.gz IEGHVPGPJZEEGZ-AUUYWEPGSA-N 0 0 319.433 4.455 10 30 DIEERN C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1ccc(C#N)s1 ZINC000179387787 337167598 /nfs/dbraw/zinc/16/75/98/337167598.db2.gz IEGHVPGPJZEEGZ-IFXJQAMLSA-N 0 0 319.433 4.455 10 30 DIEERN CCC[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccsc1 ZINC000187919817 337268718 /nfs/dbraw/zinc/26/87/18/337268718.db2.gz AAWYKWCHHVTAGU-MRXNPFEDSA-N 0 0 323.425 4.154 10 30 DIEERN COc1ccc2ccc(Oc3cc(N)c(F)cc3C#N)cc2c1 ZINC000584599576 337370677 /nfs/dbraw/zinc/37/06/77/337370677.db2.gz IGIOGVANRRSFAF-UHFFFAOYSA-N 0 0 308.312 4.234 10 30 DIEERN Cc1nc(C)c(C2=C(F)C(F)(F)C(F)(F)C2(F)F)s1 ZINC000584612819 337372531 /nfs/dbraw/zinc/37/25/31/337372531.db2.gz POFVKYGYNLMLAZ-UHFFFAOYSA-N 0 0 305.218 4.360 10 30 DIEERN C=C[C@@]1(O)CC[C@H]2[C@@H]3CCc4c(F)c(O)ccc4[C@H]3CC[C@@]21C ZINC000584617801 337373159 /nfs/dbraw/zinc/37/31/59/337373159.db2.gz RKPKTOAAFVDGCM-QRYOMUJSSA-N 0 0 316.416 4.305 10 30 DIEERN CN(C)/C=C(/Oc1ccc(Cl)cc1)C(=O)c1ccccc1F ZINC000584627668 337376195 /nfs/dbraw/zinc/37/61/95/337376195.db2.gz YMBGEVSGXXHODE-LFIBNONCSA-N 0 0 319.763 4.144 10 30 DIEERN N#Cc1cc(F)cc([C@H]2C=C3C(=CC2)NC(=O)C32CCCCC2)c1 ZINC000584655229 337377875 /nfs/dbraw/zinc/37/78/75/337377875.db2.gz OJOPBDFAOCZWHO-CQSZACIVSA-N 0 0 322.383 4.075 10 30 DIEERN O=C(C(=C1SCCS1)C(F)(F)F)c1ccc(F)cc1 ZINC000584659190 337378178 /nfs/dbraw/zinc/37/81/78/337378178.db2.gz ZWAHRFLESTZZIE-UHFFFAOYSA-N 0 0 308.321 4.262 10 30 DIEERN CCCCC[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1 ZINC000584640580 337379949 /nfs/dbraw/zinc/37/99/49/337379949.db2.gz DVFRPLNFZPIQMU-WBVHZDCISA-N 0 0 323.440 4.280 10 30 DIEERN CCCCCCCCCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125352378 337411183 /nfs/dbraw/zinc/41/11/83/337411183.db2.gz FODNOSPQQDJGCP-UHFFFAOYSA-N 0 0 305.466 4.256 10 30 DIEERN Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)o1 ZINC000127677300 337421846 /nfs/dbraw/zinc/42/18/46/337421846.db2.gz PKGZXCWQSNQFHD-GOSISDBHSA-N 0 0 322.408 4.146 10 30 DIEERN Cc1ccc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2C)cc1F ZINC000088376693 340460267 /nfs/dbraw/zinc/46/02/67/340460267.db2.gz OFOTVNRDESPEDU-CYBMUJFWSA-N 0 0 311.360 4.197 10 30 DIEERN C=C(C)CCC(=O)c1c(C)ccc2c1C(=O)C(=O)C(C(C)C)=C2 ZINC000013308600 518589127 /nfs/dbraw/zinc/58/91/27/518589127.db2.gz QBFJRHHNMGXMEF-UHFFFAOYSA-N 0 0 310.393 4.339 10 30 biogenic DIEERN C=C(C)CN(CC)Cc1nc(-c2cc(F)ccc2F)oc1C ZINC000015078016 518599609 /nfs/dbraw/zinc/59/96/09/518599609.db2.gz NNGCMESOBZJOMX-UHFFFAOYSA-N 0 0 306.356 4.326 10 30 DIEERN COc1ccc2ccccc2c1CN=Nc1ccccc1[N+](=O)[O-] ZINC000033391497 525649998 /nfs/dbraw/zinc/64/99/98/525649998.db2.gz PFYDBRHGKOPBKS-UNOMPAQXSA-N 0 0 321.336 4.203 10 30 DIEERN N#Cc1c(Cl)nsc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000267188375 526522180 /nfs/dbraw/zinc/52/21/80/526522180.db2.gz GTSINRAVCPYJPE-RNFRBKRXSA-N 0 0 309.744 4.201 10 30 DIEERN N#Cc1ccc(CN[C@H]2CC3(CCCC3)Oc3ccccc32)o1 ZINC000131317199 526626491 /nfs/dbraw/zinc/62/64/91/526626491.db2.gz BQDFIKGOPUTTLO-KRWDZBQOSA-N 0 0 308.381 4.077 10 30 DIEERN O=C1c2ccc(O)c(O)c2O/C1=C\c1cccc(Cl)c1Cl ZINC000033978455 527123256 /nfs/dbraw/zinc/12/32/56/527123256.db2.gz HFZSDRFLOLOUDJ-WDZFZDKYSA-N 0 0 323.131 4.021 10 30 DIEERN CCC(C)(C)C1CCC(CC=O)(NC(=O)OC(C)(C)C)CC1 ZINC000616568016 563961541 /nfs/dbraw/zinc/96/15/41/563961541.db2.gz ADIIFUHEKNYLFJ-UHFFFAOYSA-N 0 0 311.466 4.465 10 30 DIEERN C/C(=N\S(=O)(=O)c1cc(C)ccc1C)c1ccc(Cl)cc1 ZINC000100101533 563545800 /nfs/dbraw/zinc/54/58/00/563545800.db2.gz QBPKEFSGXOGPRE-QGOAFFKASA-N 0 0 321.829 4.155 10 30 DIEERN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C[C@@H](O)OC1=O ZINC000034645559 563857936 /nfs/dbraw/zinc/85/79/36/563857936.db2.gz DYYYQLXAGIXUGM-HBSPNOSKSA-N 0 0 318.457 4.367 10 30 biogenic DIEERN C[C@@H]1CCc2c(C#N)c(N=Cc3ccc4c(c3)OCO4)sc2C1 ZINC000252610027 563917776 /nfs/dbraw/zinc/91/77/76/563917776.db2.gz HYEBISGQKDCLRJ-LLVKDONJSA-N 0 0 324.405 4.224 10 30 DIEERN COc1cc2c(cc1C)/C(=N/OC(=O)c1ccccc1C)CCC2 ZINC000048523641 563923870 /nfs/dbraw/zinc/92/38/70/563923870.db2.gz DVPYTJKTXQMNDD-DYTRJAOYSA-N 0 0 323.392 4.209 10 30 DIEERN C=C[C@]1(C)CC[C@@]2(C)C3=CC(=O)[C@H](O)C(C)(C)[C@@H]3CC[C@@H]2C1 ZINC000141369885 563951197 /nfs/dbraw/zinc/95/11/97/563951197.db2.gz QPBXGHPGNJJSFO-GVEXGNBASA-N 0 0 302.458 4.291 10 30 biogenic DIEERN C[C@]1(C=O)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C[C@H]4CO)CC[C@H]12 ZINC000006442125 574412730 /nfs/dbraw/zinc/41/27/30/574412730.db2.gz ACXLVKYMISNUFD-HKFDWYQHSA-N 0 0 304.474 4.207 10 30 endogenous,in-man DIEERN Cc1c2cccc(Cl)c2oc1C(=O)NC1(C#N)CCCCC1 ZINC000407982948 1041330085 /nfs/dbraw/zinc/33/00/85/1041330085.db2.gz LNAFWXDCDFKYFY-UHFFFAOYSA-N 0 0 316.788 4.351 10 30 DIEERN C[C@H](NC(=O)C1CCCC1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000328768435 1043077490 /nfs/dbraw/zinc/07/74/90/1043077490.db2.gz BQOKFEJKLYTHIA-WQPVAANYSA-N 0 0 318.461 4.303 10 30 DIEERN CC(C)[C@H]1CC[C@H](C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000328727066 1043078167 /nfs/dbraw/zinc/07/81/67/1043078167.db2.gz CXYSLJMYKXAGRM-KKUMJFAQSA-N 0 0 306.450 4.447 10 30 DIEERN CC(C)(C)[Si](C)(C)C#CC(O)C#C[Si](C)(C)C(C)(C)C ZINC000195755173 1043283251 /nfs/dbraw/zinc/28/32/51/1043283251.db2.gz QATCOSNLBIVJCU-UHFFFAOYSA-N 0 0 308.614 4.450 10 30 DIEERN CC[C@H](NC(=O)C[C@@H]1CCCCNC1=O)c1nc(C)cs1 ZINC000329270653 1043961685 /nfs/dbraw/zinc/96/16/85/1043961685.db2.gz HPFCTNLKIFFEFC-RYUDHWBXSA-N 0 0 309.435 4.006 10 30 DIEERN Cc1nc(CC2CC2)oc1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329359415 1043971557 /nfs/dbraw/zinc/97/15/57/1043971557.db2.gz XMWPNFJFXOBPAI-HOTGVXAUSA-N 0 0 316.445 4.457 10 30 DIEERN COC1=Cc2cccc3ccc(-c4ccc(O)c(O)c4)c(c32)C1=O ZINC000261492976 1044799218 /nfs/dbraw/zinc/79/92/18/1044799218.db2.gz SBGZHCKQMDLHHL-UHFFFAOYSA-N 0 0 318.328 4.102 10 30 DIEERN CCCn1c(C)c(C#N)c2ccnc(NCc3ccccc3)c21 ZINC000146873056 186038276 /nfs/dbraw/zinc/03/82/76/186038276.db2.gz VLQWNGXVSZOJKZ-UHFFFAOYSA-N 0 0 304.397 4.239 10 30 DIEERN O=C(N=C1C=CC(=O)C=C1)N(c1ccccc1)c1ccccc1 ZINC000000090655 180689315 /nfs/dbraw/zinc/68/93/15/180689315.db2.gz WHEJOILVZGIIJD-UHFFFAOYSA-N 0 0 302.333 4.081 10 30 DIEERN Cc1cc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000004276766 181091443 /nfs/dbraw/zinc/09/14/43/181091443.db2.gz GTFZOHPAXLBUJK-VQHVLOKHSA-N 0 0 301.729 4.453 10 30 DIEERN Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2O)cc1 ZINC000005217233 181218606 /nfs/dbraw/zinc/21/86/06/181218606.db2.gz ZSUBZRVGYKESBB-SOFGYWHQSA-N 0 0 317.182 4.359 10 30 DIEERN C=C(C)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000005238828 181220253 /nfs/dbraw/zinc/22/02/53/181220253.db2.gz RHHDGZJERYIJDW-UHFFFAOYSA-N 0 0 314.435 4.320 10 30 DIEERN COc1cc(C(=O)/C=C/c2ccc(F)cc2)cc(C)c1OC ZINC000005361962 181234639 /nfs/dbraw/zinc/23/46/39/181234639.db2.gz APRZOVZSDQTOCC-RMKNXTFCSA-N 0 0 300.329 4.047 10 30 DIEERN CCCCC/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccccc1 ZINC000005951049 181299896 /nfs/dbraw/zinc/29/98/96/181299896.db2.gz CLFRMSKMCOPOLJ-ZBJSNUHESA-N 0 0 321.424 4.170 10 30 DIEERN Cc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)cc1 ZINC000006255927 181323382 /nfs/dbraw/zinc/32/33/82/181323382.db2.gz QJVYCTXPZHTJNG-LFIBNONCSA-N 0 0 308.406 4.195 10 30 DIEERN Cc1ccc(NC(=S)N/N=C/c2c(F)cccc2Cl)cc1 ZINC000006331941 181330958 /nfs/dbraw/zinc/33/09/58/181330958.db2.gz BGDYUVJETRNWDM-GIJQJNRQSA-N 0 0 321.808 4.108 10 30 DIEERN CC(C)c1nc(C#N)c(N=NCc2c(Cl)cccc2Cl)o1 ZINC000006633862 181363294 /nfs/dbraw/zinc/36/32/94/181363294.db2.gz HIXCRANBNLRJJZ-CNHKJKLMSA-N 0 0 323.183 4.422 10 30 DIEERN COc1ccc(C=NNc2ccc(C)cc2)cc1Br ZINC000007931124 181509554 /nfs/dbraw/zinc/50/95/54/181509554.db2.gz SEANASIJPQGZGO-LICLKQGHSA-N 0 0 319.202 4.212 10 30 DIEERN C=C(C)COc1ccccc1NC(=S)NC(=O)CCCCC ZINC000009697387 181636274 /nfs/dbraw/zinc/63/62/74/181636274.db2.gz XWMXCBOJWBLZFX-UHFFFAOYSA-N 0 0 320.458 4.035 10 30 DIEERN C=CCOc1cccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 ZINC000014547534 181957992 /nfs/dbraw/zinc/95/79/92/181957992.db2.gz LEWZUCKOUJJJKW-TXPKVOOTSA-N 0 0 304.393 4.473 10 30 DIEERN N#Cc1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000014471602 181954175 /nfs/dbraw/zinc/95/41/75/181954175.db2.gz BGWUFBFFXMSZDE-LZLYRXPVSA-N 0 0 317.348 4.293 10 30 DIEERN CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1cccc(O)c1 ZINC000016904311 182064005 /nfs/dbraw/zinc/06/40/05/182064005.db2.gz YPGCRVARIRBMMT-UGZHYMOWSA-N 0 0 324.405 4.016 10 30 DIEERN Cc1cc(NC(=O)c2ccc(/N=C/c3ccc(F)cc3)cc2)no1 ZINC000018051092 182090405 /nfs/dbraw/zinc/09/04/05/182090405.db2.gz FAMYOJALXMOQSX-RGVLZGJSSA-N 0 0 323.327 4.125 10 30 DIEERN C/C(=N\Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000018210180 182098717 /nfs/dbraw/zinc/09/87/17/182098717.db2.gz QVNZGCDIPXMQFK-VXLYETTFSA-N 0 0 324.258 4.417 10 30 DIEERN N#CCc1ccc(OCc2ccc(Br)s2)cc1 ZINC000019434032 182122887 /nfs/dbraw/zinc/12/28/87/182122887.db2.gz MFDAZTSBPPWREB-UHFFFAOYSA-N 0 0 308.200 4.156 10 30 DIEERN C=C(C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3C)o2)cc1 ZINC000019814744 182153546 /nfs/dbraw/zinc/15/35/46/182153546.db2.gz QHEKDJVMRPHBKQ-UHFFFAOYSA-N 0 0 319.364 4.227 10 30 DIEERN C[C@H](Nc1ccccc1Br)c1ccc(C#N)cc1 ZINC000019922611 182164475 /nfs/dbraw/zinc/16/44/75/182164475.db2.gz HGFBNODZTRZIIC-NSHDSACASA-N 0 0 301.187 4.494 10 30 DIEERN C[C@H](Nc1cccc(C#N)c1)c1cccc(Br)c1 ZINC000019922058 182164518 /nfs/dbraw/zinc/16/45/18/182164518.db2.gz NRPOXNPKWTVBGJ-NSHDSACASA-N 0 0 301.187 4.494 10 30 DIEERN N#Cc1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000019887331 182160847 /nfs/dbraw/zinc/16/08/47/182160847.db2.gz OXKZZFCDWYMLJV-JFIYKMOQSA-N 0 0 317.348 4.293 10 30 DIEERN CSc1nsc(C=CNc2ccc(Cl)cc2)c1C#N ZINC000100381624 193799133 /nfs/dbraw/zinc/79/91/33/193799133.db2.gz VXHQAURINRGAPD-SREVYHEPSA-N 0 0 307.831 4.473 10 30 DIEERN Cc1cccc(N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000037936768 182939601 /nfs/dbraw/zinc/93/96/01/182939601.db2.gz YIVCENWMGIMUDF-OAHLLOKOSA-N 0 0 301.187 4.434 10 30 DIEERN N#C[C@@]1(Nc2ccc(Br)cc2)CCc2ccccc21 ZINC000037936291 182939668 /nfs/dbraw/zinc/93/96/68/182939668.db2.gz FXSMIZLVEKHYQS-INIZCTEOSA-N 0 0 313.198 4.226 10 30 DIEERN N#C[C@H](Nc1ccc(Br)cc1)c1ccc(F)cc1F ZINC000037936271 182939689 /nfs/dbraw/zinc/93/96/89/182939689.db2.gz RHMOUNDGXZRKKA-AWEZNQCLSA-N 0 0 323.140 4.404 10 30 DIEERN N#C[C@H](Nc1cccc(Br)c1)c1ccc(F)cc1F ZINC000037937492 182939881 /nfs/dbraw/zinc/93/98/81/182939881.db2.gz LERUOJICILVIER-AWEZNQCLSA-N 0 0 323.140 4.404 10 30 DIEERN N#C[C@@H](Nc1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC000037936229 182940029 /nfs/dbraw/zinc/94/00/29/182940029.db2.gz LLBPGASKUAEFJU-CQSZACIVSA-N 0 0 323.140 4.404 10 30 DIEERN COc1ccc(CN=Nc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000038205528 182995610 /nfs/dbraw/zinc/99/56/10/182995610.db2.gz 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Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000330030127 336107551 /nfs/dbraw/zinc/10/75/51/336107551.db2.gz RCHAGOGSBITQTK-MRXNPFEDSA-N 0 0 310.397 4.318 10 30 DIEERN C[C@@H]1C[C@@H](C(=O)Nc2ccccc2NC2CCCC2)CC(=O)N1 ZINC000330059794 336110073 /nfs/dbraw/zinc/11/00/73/336110073.db2.gz LOZDJTBPSVZMFA-CHWSQXEVSA-N 0 0 315.417 4.384 10 30 DIEERN N#C[C@@H]1CCC[C@H]1NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000330067008 336110968 /nfs/dbraw/zinc/11/09/68/336110968.db2.gz FFRVCPKRRRAPJQ-GOEBONIOSA-N 0 0 300.377 4.187 10 30 DIEERN O=C(N[C@@H]1CCCc2c(O)cccc21)c1ccnc(C2CC2)c1 ZINC000330087744 336112500 /nfs/dbraw/zinc/11/25/00/336112500.db2.gz UAMQUYJEROSWFE-MRXNPFEDSA-N 0 0 308.381 4.047 10 30 DIEERN Cc1cscc1NC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000330103336 336113840 /nfs/dbraw/zinc/11/38/40/336113840.db2.gz GFZTVXUZZRXRCV-CYBMUJFWSA-N 0 0 302.399 4.166 10 30 DIEERN CC(C)CCn1ncc(NC(=O)N2C[C@H]3CCC[C@H]32)c1C(C)C ZINC000330190811 336122664 /nfs/dbraw/zinc/12/26/64/336122664.db2.gz 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ZINC000110875774 337389218 /nfs/dbraw/zinc/38/92/18/337389218.db2.gz GYZJGWYSGZGROI-HNNXBMFYSA-N 0 0 324.490 4.184 10 30 DIEERN CCc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(C#N)cc2)o1 ZINC000173200411 340360134 /nfs/dbraw/zinc/36/01/34/340360134.db2.gz XQSYLBRNHZKBGP-KRWDZBQOSA-N 0 0 323.396 4.473 10 30 DIEERN Cc1ccnc(N[C@@H](C)c2cccc(Br)c2)c1C#N ZINC000135284520 341235449 /nfs/dbraw/zinc/23/54/49/341235449.db2.gz GUVSGSBURVWNEK-NSHDSACASA-N 0 0 316.202 4.197 10 30 DIEERN C[C@@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c1ccc(Cl)s1 ZINC000246492422 341350733 /nfs/dbraw/zinc/35/07/33/341350733.db2.gz YLOYQDJSVWUSDY-UEKVPHQBSA-N 0 0 310.850 4.094 10 30 DIEERN CSc1nc2ccc(Br)cc2c(Cl)c1C#N ZINC000032500879 526216212 /nfs/dbraw/zinc/21/62/12/526216212.db2.gz NXSVAIQKCMFOJH-UHFFFAOYSA-N 0 0 313.607 4.244 10 30 DIEERN C[C@]1(C=O)CCC[C@@]2(C)[C@H]3CC[C@H]4C[C@@]3(C[C@@H]4CO)CC[C@H]12 ZINC000252504347 574421065 /nfs/dbraw/zinc/42/10/65/574421065.db2.gz ACXLVKYMISNUFD-PIQGRLPUSA-N 0 0 304.474 4.207 10 30 endogenous,in-man DIEERN C/C1=C/CC[C@]2(C)O[C@H]2C[C@@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC1 ZINC000257380060 560041532 /nfs/dbraw/zinc/04/15/32/560041532.db2.gz ARTVDMKLQDTMGX-INONZOBWSA-N 0 0 322.489 4.379 10 30 DIEERN Cc1cscc1NC(=O)NC[C@@H]1CCCc2sc(C)nc21 ZINC000328625892 563643413 /nfs/dbraw/zinc/64/34/13/563643413.db2.gz LCEFILGRSPDTET-NSHDSACASA-N 0 0 321.471 4.267 10 30 DIEERN C=C(Cl)CC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685959536 563961313 /nfs/dbraw/zinc/96/13/13/563961313.db2.gz ZKKQYWDYELJLDG-UHFFFAOYSA-N 0 0 323.820 4.135 10 30 DIEERN C#C[C@]1(O)CC[C@H]2[C@H]3CCc4cc(OC)cc(C)c4[C@@H]3CC[C@@]21C ZINC000215691442 568417645 /nfs/dbraw/zinc/41/76/45/568417645.db2.gz SDXFYMDYTAJWRS-AINOVGTFSA-N 0 0 324.464 4.224 10 30 DIEERN O=C(N[C@@H]1CCOc2ccccc21)c1coc(C2CCCC2)n1 ZINC000328836249 1038072234 /nfs/dbraw/zinc/07/22/34/1038072234.db2.gz XKJLGYQOVIJHJI-CQSZACIVSA-N 0 0 312.369 4.161 10 30 DIEERN O=C(N[C@H]1CCCc2cc(F)ccc21)c1ncoc1C1CC1 ZINC000328977288 1038224081 /nfs/dbraw/zinc/22/40/81/1038224081.db2.gz WRBIJOPPHOIKIR-AWEZNQCLSA-N 0 0 300.333 4.073 10 30 DIEERN C[C@@H]1CC[C@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)c2ccccc21 ZINC000328861708 1043079605 /nfs/dbraw/zinc/07/96/05/1043079605.db2.gz LWMKUUFVUWGPAD-VBHSOAQHSA-N 0 0 309.413 4.110 10 30 DIEERN N#Cc1c(Br)cc(N2CCCC2)c2ccccc12 ZINC000090562543 185303395 /nfs/dbraw/zinc/30/33/95/185303395.db2.gz IYDJXQNLBCTNJR-UHFFFAOYSA-N 0 0 301.187 4.074 10 30 DIEERN Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C#N)c1=S ZINC000090562626 185303609 /nfs/dbraw/zinc/30/36/09/185303609.db2.gz PWUZPADPVQXCIA-UHFFFAOYSA-N 0 0 303.390 4.355 10 30 DIEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190902708 334961778 /nfs/dbraw/zinc/96/17/78/334961778.db2.gz NPODDQXUWPLBMX-RHSMWYFYSA-N 0 0 301.430 4.292 10 30 DIEERN O=[N+]([O-])c1cc(/C=N/c2cc(-c3cccs3)no2)cs1 ZINC000003603241 181038747 /nfs/dbraw/zinc/03/87/47/181038747.db2.gz YPSNYBCDKSISSW-AWNIVKPZSA-N 0 0 305.340 4.123 10 30 DIEERN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1C(F)(F)F ZINC000003611772 181040877 /nfs/dbraw/zinc/04/08/77/181040877.db2.gz WQUYMOGVKUGHET-UHFFFAOYSA-N 0 0 308.215 4.278 10 30 DIEERN CC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000003977751 181059453 /nfs/dbraw/zinc/05/94/53/181059453.db2.gz ISMVMNHPEDSOTR-TXDMSJPOSA-N 0 0 300.442 4.478 10 30 world DIEERN CC(=NNc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000004925665 181173464 /nfs/dbraw/zinc/17/34/64/181173464.db2.gz PWCANXXMADZQCP-VXLYETTFSA-N 0 0 323.274 4.450 10 30 DIEERN COC(C)(C)CCC[C@H](C)[C@@H](O)C#CC[C@@H](C)OC(C)(C)C ZINC000005368214 181235053 /nfs/dbraw/zinc/23/50/53/181235053.db2.gz JJYIEYDFDWNGEZ-BBWFWOEESA-N 0 0 312.494 4.176 10 30 DIEERN CC(=O)C(=NNc1cccc(C)c1)Nc1ccccc1Cl ZINC000005548061 181256227 /nfs/dbraw/zinc/25/62/27/181256227.db2.gz BNBLQAJQVVYCAD-UHFFFAOYSA-N 0 0 301.777 4.075 10 30 DIEERN Fc1ccc(-c2csc(N=NCc3cccs3)n2)cc1 ZINC000005769781 181282283 /nfs/dbraw/zinc/28/22/83/181282283.db2.gz FFVYHNCRUKVSEY-PXNMLYILSA-N 0 0 303.387 4.457 10 30 DIEERN CCOc1ccc2c(c1)O/C(=C\C=C\c1ccccc1OC)C2=O ZINC000005906341 181295316 /nfs/dbraw/zinc/29/53/16/181295316.db2.gz NCSIACPULNORSO-FHTUUITISA-N 0 0 322.360 4.266 10 30 DIEERN C=CCNC(=S)N=NCc1c(Cl)ccc(Cl)c1Cl ZINC000006692240 181371056 /nfs/dbraw/zinc/37/10/56/181371056.db2.gz QKHYANPVFUPYAU-OMCISZLKSA-N 0 0 322.648 4.042 10 30 DIEERN Cc1ccc([S@](=O)/N=C/c2ccc(C(F)(F)F)cc2)cc1 ZINC000008550559 181563022 /nfs/dbraw/zinc/56/30/22/181563022.db2.gz NVKBPASEVZFQCD-IDQDRXHYSA-N 0 0 311.328 4.156 10 30 DIEERN Cc1cc(OCc2ccccc2C#N)ccc1Br ZINC000011834226 181709409 /nfs/dbraw/zinc/70/94/09/181709409.db2.gz VIBZLTKVKLDHSQ-UHFFFAOYSA-N 0 0 302.171 4.208 10 30 DIEERN O=C(c1ccccc1)[C@@H]1OC12c1ccccc1Cc1ccccc12 ZINC000016476514 182046423 /nfs/dbraw/zinc/04/64/23/182046423.db2.gz BTYXLUIJCANHHX-NRFANRHFSA-N 0 0 312.368 4.116 10 30 DIEERN N#Cc1ccc(Oc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000018057628 182091398 /nfs/dbraw/zinc/09/13/98/182091398.db2.gz JXXZDNAWDNBEOA-UHFFFAOYSA-N 0 0 319.114 4.021 10 30 DIEERN N#CCCN(Cc1ccc(Br)s1)c1ccccc1 ZINC000019482288 182125425 /nfs/dbraw/zinc/12/54/25/182125425.db2.gz MENBMWBJJVCPNQ-UHFFFAOYSA-N 0 0 321.243 4.431 10 30 DIEERN N#Cc1ccc(F)c(COc2cccc(Br)c2)c1 ZINC000019504158 182126860 /nfs/dbraw/zinc/12/68/60/182126860.db2.gz FAJSFJFEXAXXBM-UHFFFAOYSA-N 0 0 306.134 4.039 10 30 DIEERN N#CCc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000019430569 182123256 /nfs/dbraw/zinc/12/32/56/182123256.db2.gz GDYCSWNRSLPCCH-UHFFFAOYSA-N 0 0 302.171 4.094 10 30 DIEERN N#CCc1ccc(OCc2cc(Br)ccc2F)cc1 ZINC000019802773 182151631 /nfs/dbraw/zinc/15/16/31/182151631.db2.gz CUJXCOXSUCWHEW-UHFFFAOYSA-N 0 0 320.161 4.233 10 30 DIEERN C/C(=N\O)c1ccccc1OCc1ccc(Br)cc1 ZINC000019809284 182152907 /nfs/dbraw/zinc/15/29/07/182152907.db2.gz MPXKDMOGMMEYPJ-GZTJUZNOSA-N 0 0 320.186 4.226 10 30 DIEERN C/C(=N\O)c1cccc(OCc2cccc(Br)c2)c1 ZINC000019809334 182152936 /nfs/dbraw/zinc/15/29/36/182152936.db2.gz QKEAQDZENOFKQT-GZTJUZNOSA-N 0 0 320.186 4.226 10 30 DIEERN C[C@H](Nc1ccccc1C#N)c1cccc(Br)c1 ZINC000019921489 182164306 /nfs/dbraw/zinc/16/43/06/182164306.db2.gz HZGSAGIAOLCKTD-NSHDSACASA-N 0 0 301.187 4.494 10 30 DIEERN C[C@@H](Nc1ccccc1Br)c1ccc(C#N)cc1 ZINC000019922609 182164411 /nfs/dbraw/zinc/16/44/11/182164411.db2.gz HGFBNODZTRZIIC-LLVKDONJSA-N 0 0 301.187 4.494 10 30 DIEERN C=CCn1c(=O)c2c3c(sc2nc1-c1ccccc1)CCCC3 ZINC000019997125 182175499 /nfs/dbraw/zinc/17/54/99/182175499.db2.gz HEXYMMXBRMQGRK-UHFFFAOYSA-N 0 0 322.433 4.190 10 30 DIEERN CCCCCCCCCC/C=C/[C@H](CC(=O)OC)C(=O)OC ZINC000100166563 193796365 /nfs/dbraw/zinc/79/63/65/193796365.db2.gz YUNSHPNVUOJMTL-FIFPYPGSSA-N 0 0 312.450 4.426 10 30 DIEERN Cc1ccc(C(=O)/C=C\c2cc(Br)ccc2O)cc1 ZINC000033378732 182707886 /nfs/dbraw/zinc/70/78/86/182707886.db2.gz ZSUBZRVGYKESBB-VURMDHGXSA-N 0 0 317.182 4.359 10 30 DIEERN Cc1ccccc1C(=O)[C@@H](C#N)c1cccc(Br)c1 ZINC000036765803 182842501 /nfs/dbraw/zinc/84/25/01/182842501.db2.gz LRHLNPLGFQIZLX-HNNXBMFYSA-N 0 0 314.182 4.248 10 30 DIEERN N#C[C@@H](Nc1ccc(F)cc1)c1ccc(F)c(Br)c1 ZINC000037935773 182939759 /nfs/dbraw/zinc/93/97/59/182939759.db2.gz GYTKWNXTPMYUPK-CQSZACIVSA-N 0 0 323.140 4.404 10 30 DIEERN COc1cccc([C@H](C#N)Nc2ccc(Br)cc2)c1 ZINC000037936313 182939893 /nfs/dbraw/zinc/93/98/93/182939893.db2.gz WFUJZCNCDNNWPL-HNNXBMFYSA-N 0 0 317.186 4.134 10 30 DIEERN N#C[C@H](Nc1ccccc1F)c1ccc(Br)cc1F ZINC000037939036 182940419 /nfs/dbraw/zinc/94/04/19/182940419.db2.gz URBBIINEMLCZGI-AWEZNQCLSA-N 0 0 323.140 4.404 10 30 DIEERN N#C[C@H](Nc1ccccc1Br)c1ccccc1F ZINC000037938533 182940518 /nfs/dbraw/zinc/94/05/18/182940518.db2.gz WXCZIIKUQZLJMZ-AWEZNQCLSA-N 0 0 305.150 4.265 10 30 DIEERN N#C[C@@H](Nc1cccc(Br)c1)c1ccccc1F ZINC000037937586 182940600 /nfs/dbraw/zinc/94/06/00/182940600.db2.gz JFZLXFXBRNCMKA-CQSZACIVSA-N 0 0 305.150 4.265 10 30 DIEERN N=C1NC(=Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21 ZINC000040802444 183135964 /nfs/dbraw/zinc/13/59/64/183135964.db2.gz VGGHYUJPEOVCFR-UHFFFAOYSA-N 0 0 323.705 4.156 10 30 DIEERN CCN(C[C@@H](C)C#N)C(=O)Nc1cc(Cl)ccc1Cl ZINC000042449399 183272075 /nfs/dbraw/zinc/27/20/75/183272075.db2.gz ZKWZRDXGSMMYDJ-VIFPVBQESA-N 0 0 300.189 4.007 10 30 DIEERN C[C@H](NC(=O)[C@H](C#N)C(C)(C)C)c1ccc(Cl)cc1Cl ZINC000043068554 183333560 /nfs/dbraw/zinc/33/35/60/183333560.db2.gz YEJGPFZQLRMXOI-CABZTGNLSA-N 0 0 313.228 4.356 10 30 in-vitro DIEERN C[C@@H](NC(=O)[C@H](C#N)C(C)(C)C)c1ccc(Cl)cc1Cl ZINC000043068559 183333879 /nfs/dbraw/zinc/33/38/79/183333879.db2.gz YEJGPFZQLRMXOI-SKDRFNHKSA-N 0 0 313.228 4.356 10 30 in-vitro DIEERN O=C(C1=C(Nc2ccccc2)CCCC1)C(F)(F)C(F)F ZINC000043463565 183364958 /nfs/dbraw/zinc/36/49/58/183364958.db2.gz YDRHVAXGQKSCPD-UHFFFAOYSA-N 0 0 301.283 4.396 10 30 DIEERN CCCCCCCC[C@@]1(C)SC(=O)C=C1OC(=O)OC ZINC000043990587 183391992 /nfs/dbraw/zinc/39/19/92/183391992.db2.gz BQAABGDFSMHCNL-OAHLLOKOSA-N 0 0 300.420 4.436 10 30 DIEERN Cc1ccc(NC(=O)[C@@H](C)SCc2cccc(C#N)c2)cc1 ZINC000058236052 184092929 /nfs/dbraw/zinc/09/29/29/184092929.db2.gz OTIOBNPYUNJBQZ-CQSZACIVSA-N 0 0 310.422 4.127 10 30 DIEERN COC(=O)c1ccc(/N=C/c2ccc(OC)c3ccccc23)cc1 ZINC000059487920 184139134 /nfs/dbraw/zinc/13/91/34/184139134.db2.gz FCQHNYJTPMHXCF-FYJGNVAPSA-N 0 0 319.360 4.386 10 30 DIEERN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/C[C@H](O)OC1=O ZINC000064573149 184300038 /nfs/dbraw/zinc/30/00/38/184300038.db2.gz DYYYQLXAGIXUGM-YIEQRACKSA-N 0 0 318.457 4.367 10 30 DIEERN C=CCn1c(COc2ccc(-c3ccccc3)cc2)n[nH]c1=S ZINC000064871782 184305090 /nfs/dbraw/zinc/30/50/90/184305090.db2.gz NFRYXXQHRUSEER-UHFFFAOYSA-N 0 0 323.421 4.373 10 30 DIEERN CC(C)(C)OC(=O)Nc1ccc(-c2cc(O)cc(C#N)c2)cc1 ZINC000065341716 184325435 /nfs/dbraw/zinc/32/54/35/184325435.db2.gz XOOAVRUAOUHNJF-UHFFFAOYSA-N 0 0 310.353 4.278 10 30 DIEERN CC[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1O ZINC000257351444 256623424 /nfs/dbraw/zinc/62/34/24/256623424.db2.gz FCKLFGKATYPJPG-XCEGBMOESA-N 0 0 302.458 4.125 10 30 DIEERN CCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001561697 257211525 /nfs/dbraw/zinc/21/15/25/257211525.db2.gz UUJMMZMVYHKYGJ-UHFFFAOYSA-N 0 0 324.333 4.020 10 30 DIEERN C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(O)c1 ZINC000131898253 332046706 /nfs/dbraw/zinc/04/67/06/332046706.db2.gz KLBCCAQQPDGPJE-SNVBAGLBSA-N 0 0 306.287 4.456 10 30 DIEERN Cc1ccc([C@H](C)NC(=O)Nc2cc(C#N)ccc2C)cc1F ZINC000088376690 332050741 /nfs/dbraw/zinc/05/07/41/332050741.db2.gz OFOTVNRDESPEDU-ZDUSSCGKSA-N 0 0 311.360 4.197 10 30 DIEERN C=CCC(CC=C)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000150771778 332195414 /nfs/dbraw/zinc/19/54/14/332195414.db2.gz LVWIIVJTNJPRSM-YJBOKZPZSA-N 0 0 313.441 4.168 10 30 DIEERN CC(C)CCOc1ccc([C@H](C)NC[C@H](C#N)CCC#N)cc1 ZINC000112540242 332314343 /nfs/dbraw/zinc/31/43/43/332314343.db2.gz JMQMRHAWUBZEQU-IRXDYDNUSA-N 0 0 313.445 4.206 10 30 DIEERN CC(C)CCOc1ccc([C@H](C)NC[C@@H](C#N)CCC#N)cc1 ZINC000112540245 332314466 /nfs/dbraw/zinc/31/44/66/332314466.db2.gz JMQMRHAWUBZEQU-DLBZAZTESA-N 0 0 313.445 4.206 10 30 DIEERN Cc1ccccc1C1(C(=O)N[C@H]2CCC[C@H]2C#N)CCCCC1 ZINC000408338912 332481640 /nfs/dbraw/zinc/48/16/40/332481640.db2.gz MWDKWDJSHHPRBB-WMZOPIPTSA-N 0 0 310.441 4.005 10 30 DIEERN C[C@@H](NC(=O)NCCCCC#N)c1ccc(C(C)(C)C)cc1 ZINC000171736901 333053564 /nfs/dbraw/zinc/05/35/64/333053564.db2.gz BRLKSSNOONDNCW-CQSZACIVSA-N 0 0 301.434 4.038 10 30 DIEERN Cc1nsc(N[C@H](C)c2cccc(Br)c2)c1C#N ZINC000092912452 333055764 /nfs/dbraw/zinc/05/57/64/333055764.db2.gz MTRKHVDYMABOLJ-MRVPVSSYSA-N 0 0 322.231 4.259 10 30 DIEERN COc1ccc([C@@H](C)CNc2ccccc2O[C@@H](C)C#N)cc1 ZINC000181131826 333167654 /nfs/dbraw/zinc/16/76/54/333167654.db2.gz YCSRHBYULRMBIL-GJZGRUSLSA-N 0 0 310.397 4.202 10 30 DIEERN CC(=O)N=C1C=CC(=C/C=C2/C=CN(C)c3ccccc32)C=C1 ZINC000367628676 333198637 /nfs/dbraw/zinc/19/86/37/333198637.db2.gz UDNCJGIBPVCNHP-NFEWEHFVSA-N 0 0 302.377 4.073 10 30 DIEERN C[C@H](Cc1ccccc1F)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328632337 334744947 /nfs/dbraw/zinc/74/49/47/334744947.db2.gz AGSMBYRMIYOOPW-OCCSQVGLSA-N 0 0 306.381 4.002 10 30 DIEERN Cc1ccc2c(c1)CC[C@@H]2NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328633542 334745209 /nfs/dbraw/zinc/74/52/09/334745209.db2.gz AZSDLYVBNZAZDT-HOCLYGCPSA-N 0 0 300.402 4.228 10 30 DIEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@H]1CCCc2cc(F)ccc21 ZINC000328644472 334745453 /nfs/dbraw/zinc/74/54/53/334745453.db2.gz GPYDHIOORMKHPJ-HOCLYGCPSA-N 0 0 318.392 4.449 10 30 DIEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CC1CC1 ZINC000329017044 335933693 /nfs/dbraw/zinc/93/36/93/335933693.db2.gz KODNRXCSMVOKDC-YSVLISHTSA-N 0 0 319.449 4.077 10 30 DIEERN Cc1cc(C)cc(C[C@H](C)NC(=O)C[C@H]2CCCCNC2=O)c1 ZINC000329294108 335960834 /nfs/dbraw/zinc/96/08/34/335960834.db2.gz RUDSPSDBPIENII-DOTOQJQBSA-N 0 0 316.445 4.338 10 30 DIEERN Cc1cnc([C@H](C)NC(=O)[C@H]2CCSc3ccccc32)o1 ZINC000329404251 335972248 /nfs/dbraw/zinc/97/22/48/335972248.db2.gz BKMYLBADZGGMND-AAEUAGOBSA-N 0 0 302.399 4.280 10 30 DIEERN Cc1nc(C(=O)N[C@@H]2CCC[C@H]2C#N)c(-c2ccccc2)s1 ZINC000329411415 335973541 /nfs/dbraw/zinc/97/35/41/335973541.db2.gz DFGMVCFILRVPTK-UONOGXRCSA-N 0 0 311.410 4.115 10 30 DIEERN CCC1CCC(N(C(=O)N[C@@H]2CCC[C@@H]2C#N)C2CC2)CC1 ZINC000329646119 336026369 /nfs/dbraw/zinc/02/63/69/336026369.db2.gz IVIQXVHYQAQECD-CLKYRPBMSA-N 0 0 303.450 4.026 10 30 DIEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000329650922 336028428 /nfs/dbraw/zinc/02/84/28/336028428.db2.gz KCQTYLCRDVRXOA-BZSNNMDCSA-N 0 0 311.429 4.210 10 30 DIEERN C[C@@H]1CCC[C@H](NC(=O)CN2NC(=O)CC23CCCCC3)[C@H]1C ZINC000329690696 336051571 /nfs/dbraw/zinc/05/15/71/336051571.db2.gz WCNGTOKGDRJAOZ-ILXRZTDVSA-N 0 0 321.465 4.048 10 30 DIEERN Cc1nc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)sc1C ZINC000329740723 336076211 /nfs/dbraw/zinc/07/62/11/336076211.db2.gz VNFYITOXIFTIPZ-CXAGYDPISA-N 0 0 314.410 4.088 10 30 DIEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000329749879 336076718 /nfs/dbraw/zinc/07/67/18/336076718.db2.gz UPCLCIVCDVYHCW-QWHCGFSZSA-N 0 0 318.446 4.209 10 30 DIEERN O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCC(=O)c2cccn21 ZINC000329837148 336087765 /nfs/dbraw/zinc/08/77/65/336087765.db2.gz MTHQRVLVWPTXTK-DOTOQJQBSA-N 0 0 308.381 4.040 10 30 DIEERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCc3c[nH]nc3C2)cc1 ZINC000329837184 336088137 /nfs/dbraw/zinc/08/81/37/336088137.db2.gz MUIIUDKETMNRJB-BZSNNMDCSA-N 0 0 323.440 4.151 10 30 DIEERN CCc1nc2cc(NC(=O)[C@@H]3OCC[C@@H]3C(C)C)ccc2o1 ZINC000330115085 336114753 /nfs/dbraw/zinc/11/47/53/336114753.db2.gz FKWOROFDQDLYLU-MLGOLLRUSA-N 0 0 302.374 4.039 10 30 DIEERN CC(C)c1c(NC(=O)N2C[C@@H]3CCC[C@H]32)cnn1-c1ccccc1 ZINC000330180738 336121465 /nfs/dbraw/zinc/12/14/65/336121465.db2.gz NMXQSGPEJPAOCE-WMLDXEAASA-N 0 0 324.428 4.026 10 30 DIEERN CC(C)CCn1ncc(NC(=O)N2C[C@@H]3CCC[C@H]32)c1C(C)C ZINC000330190812 336122662 /nfs/dbraw/zinc/12/26/62/336122662.db2.gz WMZWTFSKLAFJGE-GOEBONIOSA-N 0 0 318.465 4.082 10 30 DIEERN CC(C)n1ncc2ccc(NC(=O)N3CC[C@@H]4CCC[C@H]43)cc21 ZINC000330281502 336133230 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CCc1sc([C@@H](C)Nc2nnc(C)c(C)c2C#N)cc1C ZINC000157781901 523078986 /nfs/dbraw/zinc/07/89/86/523078986.db2.gz JYGAUBXGDMQPCD-GFCCVEGCSA-N 0 0 300.431 4.071 10 30 DIEERN O=[N+]([O-])c1ccccc1N=NCc1cccc(Cl)c1Cl ZINC000033391548 527402088 /nfs/dbraw/zinc/40/20/88/527402088.db2.gz YMLBWRRWZMMPBR-PXNMLYILSA-N 0 0 310.140 4.348 10 30 DIEERN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/C(=O)OC[C@@H]1O ZINC000049793116 563812421 /nfs/dbraw/zinc/81/24/21/563812421.db2.gz WCYYIFXENZTEHA-HBSPNOSKSA-N 0 0 318.457 4.019 10 30 biogenic,in-vitro DIEERN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CC(=O)O[C@H]1O ZINC000096023713 563822262 /nfs/dbraw/zinc/82/22/62/563822262.db2.gz KJUPGEKTXQYTSU-LKEKRHCZSA-N 0 0 316.441 4.143 10 30 biogenic DIEERN C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]3(C)[C@H]2CC1 ZINC000028968268 563857540 /nfs/dbraw/zinc/85/75/40/563857540.db2.gz OJSKJQFODPKTBT-APNJTCTJSA-N 0 0 304.474 4.085 10 30 biogenic,in-vitro DIEERN Cc1cscc1C(=O)NC[C@@H]1CCCc2sc(C)nc21 ZINC000328635929 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Cc1cnc([C@H](C)NC(=O)N(C2CC2)C2CCC(C)CC2)o1 ZINC000329288787 1039402967 /nfs/dbraw/zinc/40/29/67/1039402967.db2.gz PVFCWSGTDVMZJE-QRMWWUJWSA-N 0 0 305.422 4.001 10 30 DIEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@H]1CCc2cc(F)ccc21 ZINC000328635920 1043074223 /nfs/dbraw/zinc/07/42/23/1043074223.db2.gz CFZANEYDCHGSQP-ZFWWWQNUSA-N 0 0 304.365 4.059 10 30 DIEERN C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)c1ccc(Cl)cn1 ZINC000328742148 1043076895 /nfs/dbraw/zinc/07/68/95/1043076895.db2.gz JHQMLYMYCNXQHT-JQWIXIFHSA-N 0 0 309.797 4.042 10 30 DIEERN C[C@H](OC1CCCCCC1)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328757050 1043077475 /nfs/dbraw/zinc/07/74/75/1043077475.db2.gz UTTOFYSDZWXXSA-ZFWWWQNUSA-N 0 0 322.449 4.112 10 30 DIEERN CCS[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCCCNC1=O ZINC000329564300 1044007377 /nfs/dbraw/zinc/00/73/77/1044007377.db2.gz SGPQUWDPMMOSRQ-MELADBBJSA-N 0 0 312.479 4.154 10 30 DIEERN N#CCc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000118009871 1045331751 /nfs/dbraw/zinc/33/17/51/1045331751.db2.gz 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C#CCN(C)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022352386 182319532 /nfs/dbraw/zinc/31/95/32/182319532.db2.gz FYMAAXZHWBGBFS-UHFFFAOYSA-N 0 0 323.339 4.139 10 30 DIEERN COC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CCCC2 ZINC000100042175 193793280 /nfs/dbraw/zinc/79/32/80/193793280.db2.gz QYHNGSAQIQLOLX-VXLYETTFSA-N 0 0 317.385 4.303 10 30 DIEERN Cc1cccc(N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000037936767 182939932 /nfs/dbraw/zinc/93/99/32/182939932.db2.gz YIVCENWMGIMUDF-HNNXBMFYSA-N 0 0 301.187 4.434 10 30 DIEERN N#C[C@H](Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC000037937030 182939951 /nfs/dbraw/zinc/93/99/51/182939951.db2.gz TVSZWAAIBUZRJT-AWEZNQCLSA-N 0 0 305.150 4.265 10 30 DIEERN Cc1ccc(N[C@H](C#N)c2ccccc2Br)cc1 ZINC000037935644 182940050 /nfs/dbraw/zinc/94/00/50/182940050.db2.gz NDJHIJDXEUWXAV-OAHLLOKOSA-N 0 0 301.187 4.434 10 30 DIEERN N#C[C@@H](Nc1ccccc1F)c1cc(Br)ccc1F ZINC000037938882 182940671 /nfs/dbraw/zinc/94/06/71/182940671.db2.gz SLTRXZJSEHTTOU-CQSZACIVSA-N 0 0 323.140 4.404 10 30 DIEERN 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O=C(N[C@H]1CCCc2c(O)cccc21)c1ccnc(C2CC2)c1 ZINC000330087743 336112451 /nfs/dbraw/zinc/11/24/51/336112451.db2.gz UAMQUYJEROSWFE-INIZCTEOSA-N 0 0 308.381 4.047 10 30 DIEERN CC(C)c1c(NC(=O)N2C[C@H]3CCC[C@H]32)cnn1-c1ccccc1 ZINC000330180735 336121635 /nfs/dbraw/zinc/12/16/35/336121635.db2.gz NMXQSGPEJPAOCE-RHSMWYFYSA-N 0 0 324.428 4.026 10 30 DIEERN Cc1ccc(C)c(Cc2noc([C@]3(C#N)CC34CCCC4)n2)c1 ZINC000333157000 336198727 /nfs/dbraw/zinc/19/87/27/336198727.db2.gz GOFJVQURUVBKGE-LJQANCHMSA-N 0 0 307.397 4.003 10 30 DIEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000333548207 336205322 /nfs/dbraw/zinc/20/53/22/336205322.db2.gz FFHKHWYWYQYBDE-BZSNNMDCSA-N 0 0 323.440 4.006 10 30 DIEERN Cc1cc(C)cc(Cc2noc([C@@]3(C#N)CC34CCCC4)n2)c1 ZINC000333781006 336209871 /nfs/dbraw/zinc/20/98/71/336209871.db2.gz BRTKEFVZMYLLLX-IBGZPJMESA-N 0 0 307.397 4.003 10 30 DIEERN C=CCSCCNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301351918 336302095 /nfs/dbraw/zinc/30/20/95/336302095.db2.gz 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O=[N+]([O-])c1ccccc1/C=N/c1ccc(F)cc1Br ZINC000584607881 337371979 /nfs/dbraw/zinc/37/19/79/337371979.db2.gz NXCBBERLAOVYGM-LZYBPNLTSA-N 0 0 323.121 4.247 10 30 DIEERN COc1cccc([C@@](CCC#N)(Cc2ccccc2)C(C)=O)c1 ZINC000584595864 337374129 /nfs/dbraw/zinc/37/41/29/337374129.db2.gz GRYAYJGEZXIIDD-FQEVSTJZSA-N 0 0 307.393 4.068 10 30 DIEERN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000584626947 337376009 /nfs/dbraw/zinc/37/60/09/337376009.db2.gz SAAXCRIRNZCDDC-HRCADAONSA-N 0 0 308.443 4.059 10 30 DIEERN C[C@@H](C=O)CCc1cc(C(F)(F)F)ccc1Br ZINC000584633457 337377484 /nfs/dbraw/zinc/37/74/84/337377484.db2.gz NEBGXUOMRXAUII-MRVPVSSYSA-N 0 0 309.125 4.236 10 30 DIEERN CC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000584655660 337377849 /nfs/dbraw/zinc/37/78/49/337377849.db2.gz RQLHSMWLXORKNS-BQYQJAHWSA-N 0 0 306.340 4.281 10 30 DIEERN C=C(Br)[C@@H]1CN=C(c2cc(Cl)cc(Cl)c2)O1 ZINC000584637035 337379392 /nfs/dbraw/zinc/37/93/92/337379392.db2.gz LJEQVDKANHOLFT-JTQLQIEISA-N 0 0 321.001 4.047 10 30 DIEERN CCCCCCCCCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110875777 337389251 /nfs/dbraw/zinc/38/92/51/337389251.db2.gz GYZJGWYSGZGROI-OAHLLOKOSA-N 0 0 324.490 4.184 10 30 DIEERN N#Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1Cl ZINC000116477714 337392729 /nfs/dbraw/zinc/39/27/29/337392729.db2.gz AMISHCYSSAUZKJ-CQSZACIVSA-N 0 0 315.760 4.174 10 30 DIEERN Cc1ccc([C@H](C)NCc2ccc(Br)cc2C#N)o1 ZINC000287682289 337661227 /nfs/dbraw/zinc/66/12/27/337661227.db2.gz IGLIMLHWJAUMTG-NSHDSACASA-N 0 0 319.202 4.073 10 30 DIEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccccc1Br ZINC000184968038 340496872 /nfs/dbraw/zinc/49/68/72/340496872.db2.gz WQFQHELCJOYLJW-NEPJUHHUSA-N 0 0 310.235 4.229 10 30 DIEERN C[C@H](Nc1ccc(Br)cc1C#N)c1cncc(F)c1 ZINC000235547900 340660700 /nfs/dbraw/zinc/66/07/00/340660700.db2.gz CZBLLNZXWBORGA-VIFPVBQESA-N 0 0 320.165 4.028 10 30 DIEERN Cc1cccc(C(=O)/C=C\c2cc(Br)ccc2O)c1 ZINC000033378730 524160172 /nfs/dbraw/zinc/16/01/72/524160172.db2.gz BEAVHQAFIPRDPS-ALCCZGGFSA-N 0 0 317.182 4.359 10 30 DIEERN C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(Cl)cc1 ZINC000157538671 525660399 /nfs/dbraw/zinc/66/03/99/525660399.db2.gz FJZNABCEPADMLZ-JTQLQIEISA-N 0 0 301.733 4.293 10 30 DIEERN Oc1cccc(/C=N/N(Cc2ccccc2)c2ccccc2)c1 ZINC000004922955 526356027 /nfs/dbraw/zinc/35/60/27/526356027.db2.gz GAKKRBBXFRSTSG-RCCKNPSSSA-N 0 0 302.377 4.433 10 30 DIEERN C=C[C@@]1(C)C=C2C(=O)C[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2CC1 ZINC000004097923 560195139 /nfs/dbraw/zinc/19/51/39/560195139.db2.gz QOWLIQGNZBOQNG-JECYIRHJSA-N 0 0 302.458 4.291 10 30 in-vitro DIEERN C[C@H](C=O)[C@@H]1CC[C@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@@]21C ZINC000026522167 563426106 /nfs/dbraw/zinc/42/61/06/563426106.db2.gz DCXYXPCMRLYABB-SORZXXQLSA-N 0 0 314.425 4.263 10 30 DIEERN C#C[C@]1(O)CC[C@@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3[C@@H](C)C[C@@]21C ZINC000215690510 563821271 /nfs/dbraw/zinc/82/12/71/563821271.db2.gz MLZOUZLJIKTUIT-BEAMAMLNSA-N 0 0 324.464 4.162 10 30 DIEERN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](O)C1=CCOC1=O 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30 DIEERN CC(C)[Si](C#C[C@@H](O)C#C[Si](C)(C)C)(C(C)C)C(C)C ZINC000195756281 1043282625 /nfs/dbraw/zinc/28/26/25/1043282625.db2.gz ZVUCWTAOYQSPHB-KRWDZBQOSA-N 0 0 308.614 4.450 10 30 DIEERN Cc1ccc(C[C@H](C)NC(=O)C[C@H]2CCCCNC2=O)c(C)c1 ZINC000329264433 1043959289 /nfs/dbraw/zinc/95/92/89/1043959289.db2.gz DUCAYSLLQKMPKG-DOTOQJQBSA-N 0 0 316.445 4.338 10 30 DIEERN C[C@H](CNC(=O)C[C@@H]1CCCCNC1=O)Cc1cccs1 ZINC000329302604 1043964782 /nfs/dbraw/zinc/96/47/82/1043964782.db2.gz WWNDQLODRUYRLN-STQMWFEESA-N 0 0 308.447 4.030 10 30 DIEERN N#Cc1c(Cl)cccc1N1CCC(c2nccs2)CC1 ZINC000450291053 1045485873 /nfs/dbraw/zinc/48/58/73/1045485873.db2.gz FPQRWCRGWJRTID-UHFFFAOYSA-N 0 0 303.818 4.052 10 30 DIEERN C[C@@H]1CCc2c(sc3ncnc(SCCCC#N)c23)C1 ZINC000005334109 181230975 /nfs/dbraw/zinc/23/09/75/181230975.db2.gz ABSVSKPIJKGJAN-SNVBAGLBSA-N 0 0 303.456 4.212 10 30 DIEERN O=C1c2ccccc2C(=O)c2cc(/N=C/c3ccccc3)ccc21 ZINC000005515312 181252385 /nfs/dbraw/zinc/25/23/85/181252385.db2.gz OHGYTUWRTKDSRF-LPYMAVHISA-N 0 0 311.340 4.213 10 30 DIEERN O=[N+]([O-])c1ccccc1NN=Cc1c(Cl)cccc1Cl ZINC000005584019 181260676 /nfs/dbraw/zinc/26/06/76/181260676.db2.gz ZEHDRHLJCZHIAC-LZYBPNLTSA-N 0 0 310.140 4.348 10 30 DIEERN FC(F)(F)c1ccccc1C=NNc1nc2ccccc2[nH]1 ZINC000005646734 181268186 /nfs/dbraw/zinc/26/81/86/181268186.db2.gz LBZKVOACTCBTOE-OCKHKDLRSA-N 0 0 304.275 4.028 10 30 DIEERN COc1cc(Sc2cccc(N)c2C#N)cc(C(F)(F)F)c1 ZINC000005853301 181289663 /nfs/dbraw/zinc/28/96/63/181289663.db2.gz UEQHPFQYOWLASA-UHFFFAOYSA-N 0 0 324.327 4.319 10 30 DIEERN COc1ccc(C=Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc1 ZINC000005940396 181298371 /nfs/dbraw/zinc/29/83/71/181298371.db2.gz NUFDEMWWZULRTC-AWQFTUOYSA-N 0 0 319.286 4.341 10 30 DIEERN Oc1ccc(C=Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc1 ZINC000005942092 181299193 /nfs/dbraw/zinc/29/91/93/181299193.db2.gz FQFQQNLZXUSPNC-UFWORHAWSA-N 0 0 305.259 4.038 10 30 DIEERN COc1cccc(CC=C(C)N=Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000006644755 181364532 /nfs/dbraw/zinc/36/45/32/181364532.db2.gz JIRHXCWZIOAZST-UYQURRRHSA-N 0 0 311.341 4.105 10 30 DIEERN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000191470074 334997123 /nfs/dbraw/zinc/99/71/23/334997123.db2.gz QJGMVHIFWNLYFU-PBHICJAKSA-N 0 0 316.445 4.228 10 30 DIEERN CCOc1cc(C=NNc2ccc(F)cc2)cc(Cl)c1OC ZINC000007948966 181510512 /nfs/dbraw/zinc/51/05/12/181510512.db2.gz ASYKXCKUBDWFIP-VXLYETTFSA-N 0 0 322.767 4.332 10 30 DIEERN Cc1cc(Br)ccc1OCc1ccc(C#N)cc1 ZINC000011834350 181709794 /nfs/dbraw/zinc/70/97/94/181709794.db2.gz IFFZTGLFIILBQF-UHFFFAOYSA-N 0 0 302.171 4.208 10 30 DIEERN CN(C)c1ccc([C@@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000013643524 181872454 /nfs/dbraw/zinc/87/24/54/181872454.db2.gz IMTVBLRVFJHKTE-BJLQDIEVSA-N 0 0 315.420 4.451 10 30 DIEERN C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21CC ZINC000015659895 182010482 /nfs/dbraw/zinc/01/04/82/182010482.db2.gz VDKWHNVDYOVIIX-MJCUULBUSA-N 0 0 310.437 4.003 10 30 in-vitro DIEERN CC(=O)C(=NNc1ccc(Cl)cc1)Nc1ccccc1Cl ZINC000015985869 182027971 /nfs/dbraw/zinc/02/79/71/182027971.db2.gz HQMNIMAIGXCQPI-UHFFFAOYSA-N 0 0 322.195 4.229 10 30 DIEERN O=C(Nc1ccc2c(c1)CCC[C@H]1O[C@@H]21)OCc1ccccc1 ZINC000016083237 182032081 /nfs/dbraw/zinc/03/20/81/182032081.db2.gz MSRVJUCECUXMEP-MSOLQXFVSA-N 0 0 309.365 4.212 10 30 DIEERN CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccc(O)cc1 ZINC000016904345 182063780 /nfs/dbraw/zinc/06/37/80/182063780.db2.gz XHSGDABOOGHQEB-CEVXTBJXSA-N 0 0 324.405 4.016 10 30 DIEERN C/C(=N\O)c1cccc(OCc2ccccc2Br)c1 ZINC000019809361 182152750 /nfs/dbraw/zinc/15/27/50/182152750.db2.gz HPQVUHNUZRWAEC-GZTJUZNOSA-N 0 0 320.186 4.226 10 30 DIEERN N#Cc1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000019887330 182160665 /nfs/dbraw/zinc/16/06/65/182160665.db2.gz BGWUFBFFXMSZDE-JFIYKMOQSA-N 0 0 317.348 4.293 10 30 DIEERN C/C(=N\O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000019984195 182173692 /nfs/dbraw/zinc/17/36/92/182173692.db2.gz CLVYTUISCWEIFY-DJKKODMXSA-N 0 0 323.179 4.444 10 30 DIEERN O=[N+]([O-])c1ccc(C=NNc2cc(Cl)ccc2Cl)cc1 ZINC000019928757 182166066 /nfs/dbraw/zinc/16/60/66/182166066.db2.gz NSNAKDRGSDYCQZ-LZYBPNLTSA-N 0 0 310.140 4.348 10 30 DIEERN O=C(C=CNc1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)F ZINC000100314422 193798319 /nfs/dbraw/zinc/79/83/19/193798319.db2.gz JSUODYOAKYAFSX-ARJAWSKDSA-N 0 0 317.616 4.416 10 30 DIEERN N#Cc1cc(N)cnc1Nc1cc(Cl)c(Cl)cc1Cl ZINC000037758953 182924143 /nfs/dbraw/zinc/92/41/43/182924143.db2.gz BLAFKYPORSWSLZ-UHFFFAOYSA-N 0 0 313.575 4.239 10 30 DIEERN COc1ccccc1[C@@H](C#N)Nc1cccc(Br)c1 ZINC000037937503 182939608 /nfs/dbraw/zinc/93/96/08/182939608.db2.gz XNVOAIMJKTYSGT-CQSZACIVSA-N 0 0 317.186 4.134 10 30 DIEERN Cc1ccc([C@@H](C#N)Nc2ccc(Br)cc2)cc1 ZINC000037936293 182939863 /nfs/dbraw/zinc/93/98/63/182939863.db2.gz HPORMAPLYMAQNM-OAHLLOKOSA-N 0 0 301.187 4.434 10 30 DIEERN N#C[C@@H](Nc1ccccc1)c1cc(Br)ccc1F ZINC000037935271 182939889 /nfs/dbraw/zinc/93/98/89/182939889.db2.gz JAQLJYRNIVAYBX-CQSZACIVSA-N 0 0 305.150 4.265 10 30 DIEERN N#C[C@]1(Nc2ccc(Br)cc2)CCc2ccccc21 ZINC000037936292 182940071 /nfs/dbraw/zinc/94/00/71/182940071.db2.gz FXSMIZLVEKHYQS-MRXNPFEDSA-N 0 0 313.198 4.226 10 30 DIEERN CN(Cc1csc(Br)c1)[C@@H]1CCCC[C@@H]1C#N ZINC000042362205 183258291 /nfs/dbraw/zinc/25/82/91/183258291.db2.gz REJWZNNLQZJYKQ-VXGBXAGGSA-N 0 0 313.264 4.025 10 30 DIEERN Cc1ccccc1NC(=O)[C@H](C)SCc1ccc(C#N)cc1 ZINC000058236081 184092959 /nfs/dbraw/zinc/09/29/59/184092959.db2.gz VZDXTHWUDSYLCR-AWEZNQCLSA-N 0 0 310.422 4.127 10 30 DIEERN CCCCCCCNc1cc(S(C)(=O)=O)ccc1Cl ZINC000059426820 184138532 /nfs/dbraw/zinc/13/85/32/184138532.db2.gz AAYYMRNTRQEPRW-UHFFFAOYSA-N 0 0 303.855 4.126 10 30 DIEERN O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1C[C@@H]1c1ccco1 ZINC000328609725 257264860 /nfs/dbraw/zinc/26/48/60/257264860.db2.gz FQDSHWNEKCXLGE-KYHPRHEASA-N 0 0 311.381 4.117 10 30 DIEERN C[C@H]1CC(C(=O)Nc2cc(C(C)(C)C)sc2C#N)C[C@H](C)O1 ZINC000091207872 331918290 /nfs/dbraw/zinc/91/82/90/331918290.db2.gz JSICMJWGMXEBBH-QWRGUYRKSA-N 0 0 320.458 4.059 10 30 DIEERN C=CCC(CC=C)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000150771760 332195368 /nfs/dbraw/zinc/19/53/68/332195368.db2.gz LVWIIVJTNJPRSM-QAPCUYQASA-N 0 0 313.441 4.168 10 30 DIEERN C=CCC(CC=C)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000150771818 332195435 /nfs/dbraw/zinc/19/54/35/332195435.db2.gz LVWIIVJTNJPRSM-MAUKXSAKSA-N 0 0 313.441 4.168 10 30 DIEERN N#CCC[C@@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000151459739 332202570 /nfs/dbraw/zinc/20/25/70/332202570.db2.gz BANRLMAXEYSPRR-IAGOWNOFSA-N 0 0 323.396 4.171 10 30 DIEERN CCCCCCCCC(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000151786779 332239553 /nfs/dbraw/zinc/23/95/53/332239553.db2.gz ATKYUDNDMXPSLM-HNNXBMFYSA-N 0 0 320.481 4.103 10 30 DIEERN Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000178540437 333014800 /nfs/dbraw/zinc/01/48/00/333014800.db2.gz KEAPMXXLNPJPGA-LLVKDONJSA-N 0 0 315.323 4.028 10 30 DIEERN N#Cc1cc(N2CCC[C@@H](C(F)(F)F)C2)ccc1C(F)(F)F ZINC000178782848 333020102 /nfs/dbraw/zinc/02/01/02/333020102.db2.gz OKHJVTJRZWJKJQ-SNVBAGLBSA-N 0 0 322.252 4.356 10 30 DIEERN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000187976560 333155531 /nfs/dbraw/zinc/15/55/31/333155531.db2.gz DQFSLWIYDRJBPT-QRWLVFNGSA-N 0 0 311.425 4.246 10 30 DIEERN Cc1ccc2nc(C)c(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)cc2c1 ZINC000116811929 333189070 /nfs/dbraw/zinc/18/90/70/333189070.db2.gz HAEMVHFVSZKCEY-XOBRGWDASA-N 0 0 321.424 4.054 10 30 DIEERN C[C@@H](COCc1ccccc1)Nc1cc(Cl)ccc1C#N ZINC000390704348 333316892 /nfs/dbraw/zinc/31/68/92/333316892.db2.gz PENGQGFMWCWNPY-ZDUSSCGKSA-N 0 0 300.789 4.229 10 30 DIEERN Cc1cnc([C@H](C)NC(=O)c2coc(C3CCCCC3)n2)o1 ZINC000328752444 334751877 /nfs/dbraw/zinc/75/18/77/334751877.db2.gz RKFXJDNAEATPSU-NSHDSACASA-N 0 0 303.362 4.085 10 30 DIEERN Cc1ccc(CC(=O)N[C@H]2CCC(=O)NC23CCC3)c(Cl)c1 ZINC000328754913 334752218 /nfs/dbraw/zinc/75/22/18/334752218.db2.gz SNPRCETUCPOXFQ-AWEZNQCLSA-N 0 0 320.820 4.189 10 30 DIEERN O=C(N[C@H]1CCOc2ccccc21)c1coc(C2CCCC2)n1 ZINC000328836246 334758964 /nfs/dbraw/zinc/75/89/64/334758964.db2.gz XKJLGYQOVIJHJI-AWEZNQCLSA-N 0 0 312.369 4.161 10 30 DIEERN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)c2ccccc21 ZINC000328861712 334761084 /nfs/dbraw/zinc/76/10/84/334761084.db2.gz LWMKUUFVUWGPAD-VFVRVIDISA-N 0 0 309.413 4.110 10 30 DIEERN CC1(C)C[C@H]1NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@H]2CC2(C)C)CC1 ZINC000329439915 335976304 /nfs/dbraw/zinc/97/63/04/335976304.db2.gz KSTBIUDDEGNEDR-KLRUACNBSA-N 0 0 306.450 4.303 10 30 DIEERN Cc1cnc([C@H](C)NC(=O)c2scnc2C2CCCC2)o1 ZINC000329506103 335985904 /nfs/dbraw/zinc/98/59/04/335985904.db2.gz ITSKJUAKFTVZCT-JTQLQIEISA-N 0 0 305.403 4.163 10 30 DIEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000329734669 336075117 /nfs/dbraw/zinc/07/51/17/336075117.db2.gz KNBWPPKDQIDUFF-ZYSHUDEJSA-N 0 0 323.440 4.135 10 30 DIEERN CC[C@](C)(NC(=O)C[C@H]1CCCCNC1=O)c1nc(C)cs1 ZINC000329801476 336083707 /nfs/dbraw/zinc/08/37/07/336083707.db2.gz JQANATWPQOOOFB-WBMJQRKESA-N 0 0 323.462 4.180 10 30 DIEERN O=C(C[C@H]1CCCCC(=O)N1)NC1CCC(C(F)(F)F)CC1 ZINC000329851577 336089238 /nfs/dbraw/zinc/08/92/38/336089238.db2.gz TYAPKPXUGMXROJ-HTAVTVPLSA-N 0 0 320.355 4.353 10 30 DIEERN CC(C)(C)c1nc2cc(NC(=O)N3C[C@H]4CCC[C@@H]43)ccc2o1 ZINC000329926413 336096259 /nfs/dbraw/zinc/09/62/59/336096259.db2.gz KQXCTTDVEPCOFP-RISCZKNCSA-N 0 0 313.401 4.155 10 30 DIEERN CCC1(CC)Oc2ccc(NC(=O)N3C[C@H]4CCC[C@H]43)cc2O1 ZINC000329970716 336101175 /nfs/dbraw/zinc/10/11/75/336101175.db2.gz XIMRTUKPQTXPLS-TZMCWYRMSA-N 0 0 316.401 4.004 10 30 DIEERN Cc1cscc1NC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000330103337 336113883 /nfs/dbraw/zinc/11/38/83/336113883.db2.gz GFZTVXUZZRXRCV-ZDUSSCGKSA-N 0 0 302.399 4.166 10 30 DIEERN CC(C)CCn1ncc(NC(=O)N2C[C@H]3CCC[C@@H]32)c1C(C)C ZINC000330190814 336122703 /nfs/dbraw/zinc/12/27/03/336122703.db2.gz WMZWTFSKLAFJGE-ZBFHGGJFSA-N 0 0 318.465 4.082 10 30 DIEERN O=C(Nc1cccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)c1)C1CC1 ZINC000330250915 336130007 /nfs/dbraw/zinc/13/00/07/336130007.db2.gz NDSAGMMPZCYGQR-WBMJQRKESA-N 0 0 313.401 4.105 10 30 DIEERN O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CC[C@H]2CCC[C@@H]21 ZINC000330254171 336130178 /nfs/dbraw/zinc/13/01/78/336130178.db2.gz PBLZVYZEYDCVTO-ABAIWWIYSA-N 0 0 311.385 4.125 10 30 DIEERN O=C(Nc1cccc(Oc2ccncc2)c1)N1CC[C@H]2CCC[C@H]21 ZINC000330264532 336131351 /nfs/dbraw/zinc/13/13/51/336131351.db2.gz YBBBXXIIOUZHLL-RDTXWAMCSA-N 0 0 323.396 4.294 10 30 DIEERN C[C@H](C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)c1cncnc1 ZINC000330280721 336133209 /nfs/dbraw/zinc/13/32/09/336133209.db2.gz SWDPWFOMEJCBSE-WPUBBZCQSA-N 0 0 313.445 4.142 10 30 DIEERN N#C[C@]1(c2nc(-c3cc4ccccc4o3)no2)CC12CCCC2 ZINC000333375252 336202600 /nfs/dbraw/zinc/20/26/00/336202600.db2.gz AFRDLJMAJVKHEB-SFHVURJKSA-N 0 0 305.337 4.208 10 30 DIEERN C[C@@H]1CC[C@@H](NC(=O)[C@]2(C#N)CC23CCCC3)c2ccccc21 ZINC000333570693 336206227 /nfs/dbraw/zinc/20/62/27/336206227.db2.gz PRKXLAQQHMZFNC-WIBUTAKZSA-N 0 0 308.425 4.215 10 30 DIEERN CC(C)(C)c1ccncc1-c1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333858472 336211321 /nfs/dbraw/zinc/21/13/21/336211321.db2.gz PGDBMZFEGOAXLH-IBGZPJMESA-N 0 0 322.412 4.155 10 30 DIEERN N#C[C@]1(c2nc([C@@H]3CCCc4ccccc43)no2)CC12CCCC2 ZINC000333887285 336211759 /nfs/dbraw/zinc/21/17/59/336211759.db2.gz XWEWPVPHJHZOLK-UZLBHIALSA-N 0 0 319.408 4.263 10 30 DIEERN Cc1cccc(C2(c3noc([C@@]4(C#N)CC45CCCC5)n3)CC2)c1 ZINC000333886439 336211765 /nfs/dbraw/zinc/21/17/65/336211765.db2.gz XRDLXBXYSSOVGJ-FQEVSTJZSA-N 0 0 319.408 4.183 10 30 DIEERN COC(C)(C)C[C@H](C)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301426435 336306040 /nfs/dbraw/zinc/30/60/40/336306040.db2.gz DUCOKSLZTKCVRQ-NSHDSACASA-N 0 0 317.820 4.375 10 30 DIEERN N#Cc1cc(F)c(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000301553090 336314460 /nfs/dbraw/zinc/31/44/60/336314460.db2.gz VZKSBVYYPJQEQK-ZJUUUORDSA-N 0 0 304.262 4.369 10 30 DIEERN Cc1ccc([C@H](C)Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000301746440 336327244 /nfs/dbraw/zinc/32/72/44/336327244.db2.gz YCJXMYVRGFHYBU-NSHDSACASA-N 0 0 322.324 4.089 10 30 DIEERN Cc1cc(Sc2ncc(-c3ccccc3)n2C)c(C#N)c(C)n1 ZINC000301774386 336328874 /nfs/dbraw/zinc/32/88/74/336328874.db2.gz KQZVDLBTHIZLLJ-UHFFFAOYSA-N 0 0 320.421 4.122 10 30 DIEERN CO[C@@H]1CCC[C@H](Nc2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000301787857 336329953 /nfs/dbraw/zinc/32/99/53/336329953.db2.gz QAWZJXLEKWXBPY-UONOGXRCSA-N 0 0 315.804 4.129 10 30 DIEERN CC(C)C[C@H](Nc1cccc(C#N)n1)c1nc2ccccc2[nH]1 ZINC000301844643 336333738 /nfs/dbraw/zinc/33/37/38/336333738.db2.gz LRAZCFFJHHFWKP-INIZCTEOSA-N 0 0 305.385 4.029 10 30 DIEERN Cc1cc(NCc2ccccc2N2CCCCC2)c(C#N)c(C)n1 ZINC000302064442 336346569 /nfs/dbraw/zinc/34/65/69/336346569.db2.gz SEATUDBMMYZFFP-UHFFFAOYSA-N 0 0 320.440 4.173 10 30 DIEERN CC(=O)c1ccc(C#N)c(N[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000302111407 336348937 /nfs/dbraw/zinc/34/89/37/336348937.db2.gz PSIWDHJPKPLGDX-SNVBAGLBSA-N 0 0 300.308 4.212 10 30 DIEERN CCc1ccc([C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C(C)C)cc1 ZINC000302747732 336367641 /nfs/dbraw/zinc/36/76/41/336367641.db2.gz UCQIPROMBWECQI-SFHVURJKSA-N 0 0 324.384 4.233 10 30 DIEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21CC ZINC000306122459 336397642 /nfs/dbraw/zinc/39/76/42/336397642.db2.gz VDKWHNVDYOVIIX-ZPAWYTMASA-N 0 0 310.437 4.003 10 30 DIEERN CCCCCCCC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173465108 337135450 /nfs/dbraw/zinc/13/54/50/337135450.db2.gz BHQXEFNCOSAFRZ-CQSZACIVSA-N 0 0 307.438 4.217 10 30 DIEERN C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccc(C#N)s1 ZINC000179387769 337167625 /nfs/dbraw/zinc/16/76/25/337167625.db2.gz IEGHVPGPJZEEGZ-LIRRHRJNSA-N 0 0 319.433 4.455 10 30 DIEERN C[C@@H](Nc1cnn(-c2ccccc2F)c1)c1ccc(C#N)s1 ZINC000183287828 337192674 /nfs/dbraw/zinc/19/26/74/337192674.db2.gz QVEINVKCDLYVOR-LLVKDONJSA-N 0 0 312.373 4.118 10 30 DIEERN CCCCOc1ccc(-c2ccccc2)cc1C[C@@H](O)CC#N ZINC000584611668 337372150 /nfs/dbraw/zinc/37/21/50/337372150.db2.gz LKQXCCFAVPBTMC-IBGZPJMESA-N 0 0 309.409 4.350 10 30 DIEERN COc1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)cc1F ZINC000584615047 337372804 /nfs/dbraw/zinc/37/28/04/337372804.db2.gz XXLRMTDHCMCYKH-FBCYGCLPSA-N 0 0 313.159 4.474 10 30 DIEERN CCC[C@@H](C(=O)OCC)[C@@](C#N)(CCC)c1cccc(OC)c1 ZINC000584596963 337374285 /nfs/dbraw/zinc/37/42/85/337374285.db2.gz VNGPYNPFHXMIAA-PKOBYXMFSA-N 0 0 317.429 4.236 10 30 DIEERN CC(=O)[C@H]1CC[C@H]2C[C@@H]3[C@H](CCC4=CC(=O)CC[C@@H]43)C[C@@]21C ZINC000584639823 337379815 /nfs/dbraw/zinc/37/98/15/337379815.db2.gz CANVBCBOGJHJRD-INMFKVEZSA-N 0 0 300.442 4.333 10 30 DIEERN CC(=O)[C@H]1CC[C@H]2C[C@@H]3[C@H](CC[C@H]4CC(=O)C=C[C@H]34)C[C@@]21C ZINC000584639889 337379885 /nfs/dbraw/zinc/37/98/85/337379885.db2.gz JYBPNTYOXNSMLC-JZQPTAQHSA-N 0 0 300.442 4.189 10 30 DIEERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)o1 ZINC000128410492 337425166 /nfs/dbraw/zinc/42/51/66/337425166.db2.gz PFONBFCMGOTAFZ-KRWDZBQOSA-N 0 0 308.381 4.081 10 30 DIEERN C[C@H](NC(=O)c1cc(C#N)cs1)c1ccc2ccccc2c1 ZINC000084070235 338000557 /nfs/dbraw/zinc/00/05/57/338000557.db2.gz OJVHOOPPXFYJIV-LBPRGKRZSA-N 0 0 306.390 4.264 10 30 DIEERN C=CCC[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000186237790 340509806 /nfs/dbraw/zinc/50/98/06/340509806.db2.gz GLAGGHRNOMOFOG-IEBWSBKVSA-N 0 0 321.420 4.376 10 30 DIEERN Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000069607000 340971228 /nfs/dbraw/zinc/97/12/28/340971228.db2.gz MYRGDGWOOSVBPL-JTQLQIEISA-N 0 0 319.817 4.464 10 30 DIEERN CC(=NNc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000006083046 518464462 /nfs/dbraw/zinc/46/44/62/518464462.db2.gz NFCIMJHAXWHFIF-VCHYOVAHSA-N 0 0 321.283 4.032 10 30 DIEERN C=CCN(Cc1ccc(C)s1)Cc1ccnc(C(C)C)n1 ZINC000055270523 518779240 /nfs/dbraw/zinc/77/92/40/518779240.db2.gz QMWPHTIGCCLBNS-UHFFFAOYSA-N 0 0 301.459 4.158 10 30 DIEERN Cc1cc(NCc2cc(Br)cs2)c(C#N)c(C)n1 ZINC000157442939 525276950 /nfs/dbraw/zinc/27/69/50/525276950.db2.gz XLOHGPLBYHSASC-UHFFFAOYSA-N 0 0 322.231 4.006 10 30 DIEERN Cc1ccc(S(=O)(=O)O[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000034162677 525625477 /nfs/dbraw/zinc/62/54/77/525625477.db2.gz SGVUYDDHWKAZPN-ROUUACIJSA-N 0 0 316.422 4.037 10 30 DIEERN CC(=O)c1ccc(Oc2snc(Cl)c2C#N)c(Cl)c1 ZINC000120388525 534872030 /nfs/dbraw/zinc/87/20/30/534872030.db2.gz LSDNYADEVKPZAM-UHFFFAOYSA-N 0 0 313.165 4.316 10 30 DIEERN O=C(/C=C\O/C=C\C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000032148358 527652433 /nfs/dbraw/zinc/65/24/33/527652433.db2.gz CATOHGSJDSHEKL-HWAYABPNSA-N 0 0 314.287 4.074 10 30 DIEERN O=C(/C=C\c1c(F)cccc1Cl)c1ccccc1N1N=N1 ZINC000033719411 527653797 /nfs/dbraw/zinc/65/37/97/527653797.db2.gz QRIQBLFKLSIFRU-HJWRWDBZSA-N 0 0 301.708 4.477 10 30 DIEERN C=C1C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000006183962 563332087 /nfs/dbraw/zinc/33/20/87/563332087.db2.gz UIMCXMMDBRLWEH-VOSWSFSHSA-N 0 0 300.442 4.045 10 30 DIEERN Cc1ccc(S(=O)(=O)O[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000095218187 563529080 /nfs/dbraw/zinc/52/90/80/563529080.db2.gz SGVUYDDHWKAZPN-QZTJIDSGSA-N 0 0 316.422 4.037 10 30 DIEERN Cc1ccc(S(=O)(=O)O[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000095218189 563529114 /nfs/dbraw/zinc/52/91/14/563529114.db2.gz SGVUYDDHWKAZPN-MSOLQXFVSA-N 0 0 316.422 4.037 10 30 DIEERN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C[C@H](O)OC1=O ZINC000034645557 563857869 /nfs/dbraw/zinc/85/78/69/563857869.db2.gz DYYYQLXAGIXUGM-JHZATVQFSA-N 0 0 318.457 4.367 10 30 biogenic DIEERN C[C@H](N[C@H](c1ccccc1)c1ccncc1)c1ccc(C#N)s1 ZINC000134821697 1036021717 /nfs/dbraw/zinc/02/17/17/1036021717.db2.gz UXAJXILHBZBVLG-IFXJQAMLSA-N 0 0 319.433 4.455 10 30 DIEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000328951662 1038203629 /nfs/dbraw/zinc/20/36/29/1038203629.db2.gz XIHIOUKWFDCLJC-QEORTHHSSA-N 0 0 315.413 4.034 10 30 DIEERN O=C(N[C@@H]1CCCc2cc(F)ccc21)c1ncoc1C1CC1 ZINC000328977294 1038224469 /nfs/dbraw/zinc/22/44/69/1038224469.db2.gz WRBIJOPPHOIKIR-CQSZACIVSA-N 0 0 300.333 4.073 10 30 DIEERN Cc1ccc(C[C@H](C)NC(=O)C[C@H]2CCCCC(=O)N2)c(C)c1 ZINC000328674028 1043074179 /nfs/dbraw/zinc/07/41/79/1043074179.db2.gz PPSHKCMYCNIAKU-DOTOQJQBSA-N 0 0 316.445 4.480 10 30 DIEERN C[C@H](C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1)c1ccsc1 ZINC000328660848 1043074412 /nfs/dbraw/zinc/07/44/12/1043074412.db2.gz WCHOHHJWFUPKDB-VBNZEHGJSA-N 0 0 316.426 4.123 10 30 DIEERN CC[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)c1nc(C)cs1 ZINC000328673266 1043074649 /nfs/dbraw/zinc/07/46/49/1043074649.db2.gz OYUKNMUKULLKNC-NEPJUHHUSA-N 0 0 309.435 4.148 10 30 DIEERN Cc1csc([C@H](NC(=O)C[C@@H]2CCCCNC2=O)C2CC2)n1 ZINC000328882065 1043081971 /nfs/dbraw/zinc/08/19/71/1043081971.db2.gz WXKWMWGSBBIKQX-GXTWGEPZSA-N 0 0 321.446 4.006 10 30 DIEERN Cc1cccnc1[C@H](NC(=O)C[C@@H]1CCCCNC1=O)C(C)C ZINC000329270209 1043961260 /nfs/dbraw/zinc/96/12/60/1043961260.db2.gz HHURSGBKMLNFFH-GOEBONIOSA-N 0 0 317.433 4.190 10 30 DIEERN Cc1cc(N=NC(N=Nc2ccccc2)c2ccccc2)n[nH]1 ZINC000058962875 190693663 /nfs/dbraw/zinc/69/36/63/190693663.db2.gz SDMGQOAMIXCCKZ-OPFNQDQNSA-N 0 0 304.357 4.276 10 30 DIEERN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000190902726 334961596 /nfs/dbraw/zinc/96/15/96/334961596.db2.gz NPODDQXUWPLBMX-WMLDXEAASA-N 0 0 301.430 4.292 10 30 DIEERN C=CCc1cc(C=O)c(OC)c(-c2ccc(O)c(CC=C)c2)c1 ZINC000072116566 191038222 /nfs/dbraw/zinc/03/82/22/191038222.db2.gz FQEYXRLINAISHQ-UHFFFAOYSA-N 0 0 308.377 4.337 10 30 DIEERN Cc1ccccc1[C@H]1SC(=O)N=C2c3ccccc3C(=O)C21 ZINC000000533338 180815974 /nfs/dbraw/zinc/81/59/74/180815974.db2.gz BNXGFUSVXKPRQP-QGZVFWFLSA-N 0 0 307.374 4.100 10 30 DIEERN C#CC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 ZINC000004217337 181085448 /nfs/dbraw/zinc/08/54/48/181085448.db2.gz JKPDEYAOCSQBSZ-OEUJLIAZSA-N 0 0 310.437 4.091 10 30 in-man DIEERN C#C[C@]1(O)CC[C@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3[C@H](C)C[C@@]21C ZINC000004369807 181103044 /nfs/dbraw/zinc/10/30/44/181103044.db2.gz MLZOUZLJIKTUIT-FFHVACONSA-N 0 0 324.464 4.162 10 30 DIEERN C=C1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12 ZINC000004804445 181153830 /nfs/dbraw/zinc/15/38/30/181153830.db2.gz KMNSRETXNDRTCN-GJCUDGATSA-N 0 0 300.442 4.045 10 30 DIEERN O=C(/C=C/c1sccc1C1OCCO1)c1ccc(Cl)cc1 ZINC000005252624 181222092 /nfs/dbraw/zinc/22/20/92/181222092.db2.gz PTGGSRHFJQGPLB-AATRIKPKSA-N 0 0 320.797 4.343 10 30 DIEERN Cc1ccc(-c2nc(C#N)c(N=NCc3cccc(F)c3)o2)cc1 ZINC000006503631 181346731 /nfs/dbraw/zinc/34/67/31/181346731.db2.gz QOMMZGWTLHPAIJ-SRZZPIQSSA-N 0 0 320.327 4.107 10 30 DIEERN Cc1nn(-c2ccccc2)c(C)c1C=NNc1ccc(C)cc1 ZINC000007930842 181509780 /nfs/dbraw/zinc/50/97/80/181509780.db2.gz SUYZZHXJXDTIIM-DEDYPNTBSA-N 0 0 304.397 4.244 10 30 DIEERN CCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C#N)cc1 ZINC000008905570 181590432 /nfs/dbraw/zinc/59/04/32/181590432.db2.gz JSMHRSKWIXQUMX-UHFFFAOYSA-N 0 0 322.408 4.263 10 30 DIEERN C=C(C)COc1ccc(NC(=O)c2cccc(OCC)c2)cc1 ZINC000009813660 181641232 /nfs/dbraw/zinc/64/12/32/181641232.db2.gz GOHYHDKWIRAZMS-UHFFFAOYSA-N 0 0 311.381 4.293 10 30 DIEERN COc1cccc([C@@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@H]32)c1 ZINC000014550137 181958250 /nfs/dbraw/zinc/95/82/50/181958250.db2.gz PMHXPQBYJDJIRC-QKLQHJQFSA-N 0 0 302.377 4.393 10 30 DIEERN N#Cc1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000014550730 181958296 /nfs/dbraw/zinc/95/82/96/181958296.db2.gz OXKZZFCDWYMLJV-RYRKJORJSA-N 0 0 317.348 4.293 10 30 DIEERN COc1cc([C@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@@H]32)ccc1O ZINC000014458946 181953218 /nfs/dbraw/zinc/95/32/18/181953218.db2.gz JJCUFZXEOFSIAK-YZVOILCLSA-N 0 0 318.376 4.099 10 30 DIEERN C=C[C@](C)(CC)C(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000135045859 335019140 /nfs/dbraw/zinc/01/91/40/335019140.db2.gz JCJYYHLYYHRLQS-SUMWQHHRSA-N 0 0 306.475 4.014 10 30 DIEERN N#Cc1ccc(Oc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000018054768 182091451 /nfs/dbraw/zinc/09/14/51/182091451.db2.gz CEMSTVHFUABUAN-UHFFFAOYSA-N 0 0 319.114 4.021 10 30 DIEERN N#CCc1ccc(OCc2ccc(F)cc2Br)cc1 ZINC000019425737 182122402 /nfs/dbraw/zinc/12/24/02/182122402.db2.gz APNOLJDAOVJYOY-UHFFFAOYSA-N 0 0 320.161 4.233 10 30 DIEERN O=C(Nc1ccc2c(c1)CCC[C@@H]1O[C@@H]21)OCc1ccccc1 ZINC000019796298 182150982 /nfs/dbraw/zinc/15/09/82/182150982.db2.gz MSRVJUCECUXMEP-ROUUACIJSA-N 0 0 309.365 4.212 10 30 DIEERN N#CCCN(c1ccccc1)c1ccc(Br)cc1N ZINC000019833157 182154889 /nfs/dbraw/zinc/15/48/89/182154889.db2.gz UHUGKRJKDJXCTQ-UHFFFAOYSA-N 0 0 316.202 4.083 10 30 DIEERN C[C@@H](Nc1ccccc1C#N)c1cccc(Br)c1 ZINC000019921487 182164287 /nfs/dbraw/zinc/16/42/87/182164287.db2.gz HZGSAGIAOLCKTD-LLVKDONJSA-N 0 0 301.187 4.494 10 30 DIEERN CC(C)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000020468905 182221572 /nfs/dbraw/zinc/22/15/72/182221572.db2.gz VPTROTDUOBVEPE-KVVJQUGZSA-N 0 0 317.432 4.447 10 30 DIEERN N#Cc1ccc(F)c(CNc2ccc(F)cc2Br)c1 ZINC000020430850 182216885 /nfs/dbraw/zinc/21/68/85/182216885.db2.gz XNSVZZMPJWKCHK-UHFFFAOYSA-N 0 0 323.140 4.211 10 30 DIEERN N#C[C@H](Nc1cccc(Br)c1)c1ccc(F)cc1 ZINC000037937525 182939683 /nfs/dbraw/zinc/93/96/83/182939683.db2.gz QREMYOAQLZKACV-AWEZNQCLSA-N 0 0 305.150 4.265 10 30 DIEERN N#C[C@@H](Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC000037937031 182940025 /nfs/dbraw/zinc/94/00/25/182940025.db2.gz TVSZWAAIBUZRJT-CQSZACIVSA-N 0 0 305.150 4.265 10 30 DIEERN N#C[C@@H](Nc1ccccc1Br)c1ccc(F)cc1F ZINC000037938443 182940588 /nfs/dbraw/zinc/94/05/88/182940588.db2.gz YLBUADZXWQSZQJ-CQSZACIVSA-N 0 0 323.140 4.404 10 30 DIEERN N#C[C@H](Nc1ccccc1Br)c1ccc(F)cc1 ZINC000037938475 182940729 /nfs/dbraw/zinc/94/07/29/182940729.db2.gz SHXNPMXEHOJMQJ-AWEZNQCLSA-N 0 0 305.150 4.265 10 30 DIEERN COC(=O)c1ccc(/N=C/c2c(OC)ccc3ccccc32)cc1 ZINC000059487897 184139117 /nfs/dbraw/zinc/13/91/17/184139117.db2.gz MVYTZCQPVYTXOW-FYJGNVAPSA-N 0 0 319.360 4.386 10 30 DIEERN N#Cc1cc(N)ccc1Nc1cc(Br)ccc1Cl ZINC000061691066 184183059 /nfs/dbraw/zinc/18/30/59/184183059.db2.gz HPKLGUYCRYCTSR-UHFFFAOYSA-N 0 0 322.593 4.300 10 30 DIEERN CCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1 ZINC000111872623 256584693 /nfs/dbraw/zinc/58/46/93/256584693.db2.gz OZOVXOAZDQCMAM-INIZCTEOSA-N 0 0 311.466 4.119 10 30 DIEERN O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1C[C@H]1c1ccco1 ZINC000328609726 257264899 /nfs/dbraw/zinc/26/48/99/257264899.db2.gz FQDSHWNEKCXLGE-YFHUEUNASA-N 0 0 311.381 4.117 10 30 DIEERN Cc1cc(Cl)c(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1Cl ZINC000408234593 332358076 /nfs/dbraw/zinc/35/80/76/332358076.db2.gz GCWKVBWVLFVERV-JOYOIKCWSA-N 0 0 312.200 4.116 10 30 DIEERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000151373171 332682146 /nfs/dbraw/zinc/68/21/46/332682146.db2.gz ZTLJCQLCDAWLER-LPHOPBHVSA-N 0 0 321.424 4.400 10 30 DIEERN Cc1nsc(N[C@@H](C)c2cccc(Br)c2)c1C#N ZINC000092912451 333055748 /nfs/dbraw/zinc/05/57/48/333055748.db2.gz MTRKHVDYMABOLJ-QMMMGPOBSA-N 0 0 322.231 4.259 10 30 DIEERN N#Cc1ccc(N[C@H]2CCc3cc(Br)ccc32)cc1 ZINC000040226322 333341678 /nfs/dbraw/zinc/34/16/78/333341678.db2.gz LCJCASLABMWHLF-INIZCTEOSA-N 0 0 313.198 4.420 10 30 DIEERN O=C(C1=C(O)C(=Cc2ccc(Cl)cc2)CCC1)C(F)(F)F ZINC000217020532 333389856 /nfs/dbraw/zinc/38/98/56/333389856.db2.gz ZZYXFAGXPMUUHQ-OANVXVOSSA-N 0 0 316.706 4.224 10 30 DIEERN C[C@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000124747663 333498206 /nfs/dbraw/zinc/49/82/06/333498206.db2.gz GCYBRSLMYBLRKC-JTQLQIEISA-N 0 0 301.733 4.293 10 30 DIEERN C#CCC(C)(C)C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000185674183 335144787 /nfs/dbraw/zinc/14/47/87/335144787.db2.gz AUWUQOJFHNTOQV-AWEZNQCLSA-N 0 0 318.486 4.022 10 30 DIEERN Cc1csc([C@@H]2CCC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000187669448 334268789 /nfs/dbraw/zinc/26/87/89/334268789.db2.gz IAGFYEGNPMWEIM-WMLDXEAASA-N 0 0 311.454 4.264 10 30 DIEERN Cc1ccc(C[C@H](C)NC(=O)C[C@H]2CCCCC(=O)N2)s1 ZINC000328649719 334745526 /nfs/dbraw/zinc/74/55/26/334745526.db2.gz ISWSEQUZRFXXIV-WCQYABFASA-N 0 0 308.447 4.233 10 30 DIEERN C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccccc2NC2CCCC2)O1 ZINC000328660858 334746320 /nfs/dbraw/zinc/74/63/20/334746320.db2.gz WCNKSRYPPLGYMF-XNJGSVPQSA-N 0 0 302.418 4.443 10 30 DIEERN C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)c1ccc(F)cc1 ZINC000328681448 334748724 /nfs/dbraw/zinc/74/87/24/334748724.db2.gz VBULSEIYYFMASC-DOMZBBRYSA-N 0 0 306.381 4.175 10 30 DIEERN Cc1ncc(NC(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000328785216 334756830 /nfs/dbraw/zinc/75/68/30/334756830.db2.gz KJTVKMMJTUKPNA-UKRRQHHQSA-N 0 0 302.399 4.207 10 30 DIEERN C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)c1ccc(F)cc1F ZINC000328787082 334757084 /nfs/dbraw/zinc/75/70/84/334757084.db2.gz KZZXZTOMSXALJN-DGCLKSJQSA-N 0 0 324.371 4.314 10 30 DIEERN Cc1nc([C@H](C)NC(=O)[C@H]2CCC(=O)c3ccccc32)cs1 ZINC000328832703 334758715 /nfs/dbraw/zinc/75/87/15/334758715.db2.gz VPILHIPPWJGVJT-HZMBPMFUSA-N 0 0 314.410 4.229 10 30 DIEERN Cc1nc([C@H](C)NC(=O)c2cccc([C@H]3CCOC3)c2)cs1 ZINC000328898910 334764461 /nfs/dbraw/zinc/76/44/61/334764461.db2.gz WZHMYMAEAKSDBK-NHYWBVRUSA-N 0 0 316.426 4.021 10 30 DIEERN Cc1ccc(C[C@H](C)NC(=O)C[C@@H]2CCCCNC2=O)c(C)c1 ZINC000329264434 335957645 /nfs/dbraw/zinc/95/76/45/335957645.db2.gz DUCAYSLLQKMPKG-RDJZCZTQSA-N 0 0 316.445 4.338 10 30 DIEERN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329360892 335968225 /nfs/dbraw/zinc/96/82/25/335968225.db2.gz YEBJQPOPOFGCLK-JYJNAYRXSA-N 0 0 306.450 4.449 10 30 DIEERN C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000329526561 335989191 /nfs/dbraw/zinc/98/91/91/335989191.db2.gz HOQPZNCLFVNKOT-BZZMCLGOSA-N 0 0 311.429 4.066 10 30 DIEERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000329667024 336034272 /nfs/dbraw/zinc/03/42/72/336034272.db2.gz QLIYNRMMGPRMHW-KURKYZTESA-N 0 0 311.429 4.128 10 30 DIEERN CC(C)c1nc(C2(NC(=O)[C@H]3CCCSC3)CCCC2)no1 ZINC000329740171 336076213 /nfs/dbraw/zinc/07/62/13/336076213.db2.gz VHIJQURMEDMMCX-LBPRGKRZSA-N 0 0 323.462 4.062 10 30 DIEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000329749880 336076682 /nfs/dbraw/zinc/07/66/82/336076682.db2.gz UPCLCIVCDVYHCW-STQMWFEESA-N 0 0 318.446 4.209 10 30 DIEERN Cc1cccc2c1OCC[C@H]2NC(=O)N[C@H]1CCc2ccccc21 ZINC000329923857 336095889 /nfs/dbraw/zinc/09/58/89/336095889.db2.gz ISPPTVXTQVYOJT-ZWKOTPCHSA-N 0 0 322.408 4.010 10 30 DIEERN C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000330014233 336106090 /nfs/dbraw/zinc/10/60/90/336106090.db2.gz MVBBMIKYHYQBSW-GUTXKFCHSA-N 0 0 315.413 4.251 10 30 DIEERN CC(C)n1cc2cc(NC(=O)N[C@H](C)CC3CC3)ccc2n1 ZINC000330025370 336107043 /nfs/dbraw/zinc/10/70/43/336107043.db2.gz KMIFDXNITANVOE-GFCCVEGCSA-N 0 0 300.406 4.132 10 30 DIEERN Cc1nc(-c2ccccc2)c(C(=O)N[C@@H]2CCC[C@H]2C#N)s1 ZINC000330052418 336109358 /nfs/dbraw/zinc/10/93/58/336109358.db2.gz PACOEKBUCKLPHJ-UONOGXRCSA-N 0 0 311.410 4.115 10 30 DIEERN C[C@@H]1C[C@H](C(=O)Nc2ccccc2NC2CCCC2)CC(=O)N1 ZINC000330059795 336110079 /nfs/dbraw/zinc/11/00/79/336110079.db2.gz LOZDJTBPSVZMFA-OLZOCXBDSA-N 0 0 315.417 4.384 10 30 DIEERN Cc1nc(C)c(C(=O)Nc2ccccc2NC2CCCC2)nc1C ZINC000330116476 336114639 /nfs/dbraw/zinc/11/46/39/336114639.db2.gz VMHQODJDBMKPMY-UHFFFAOYSA-N 0 0 324.428 4.393 10 30 DIEERN CC(C)c1cnc(NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)s1 ZINC000330115994 336114762 /nfs/dbraw/zinc/11/47/62/336114762.db2.gz URJUPEYZMIDJNI-GXTWGEPZSA-N 0 0 317.414 4.027 10 30 DIEERN O=C(Nc1cccc(NC(=O)N2CC[C@H]3CCC[C@H]32)c1)C1CC1 ZINC000330250914 336129975 /nfs/dbraw/zinc/12/99/75/336129975.db2.gz NDSAGMMPZCYGQR-MLGOLLRUSA-N 0 0 313.401 4.105 10 30 DIEERN O=C(Nc1ccnc(Oc2ccccc2)c1)N1CC[C@H]2CCC[C@H]21 ZINC000330265180 336131457 /nfs/dbraw/zinc/13/14/57/336131457.db2.gz YXCDKWJDOAAILS-RHSMWYFYSA-N 0 0 323.396 4.294 10 30 DIEERN Cc1cnc(-c2cccc(NC(=O)N3CC[C@H]4CCC[C@@H]43)c2)o1 ZINC000330265605 336131475 /nfs/dbraw/zinc/13/14/75/336131475.db2.gz ZLPTXDLKRRJLDZ-CJNGLKHVSA-N 0 0 311.385 4.070 10 30 DIEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000333548210 336205370 /nfs/dbraw/zinc/20/53/70/336205370.db2.gz FFHKHWYWYQYBDE-RCCFBDPRSA-N 0 0 323.440 4.006 10 30 DIEERN N#C[C@]1(c2nc(C3(c4ccccc4F)CC3)no2)CC12CCCC2 ZINC000333754572 336209569 /nfs/dbraw/zinc/20/95/69/336209569.db2.gz ZNNHKDJGVNSHPI-IBGZPJMESA-N 0 0 323.371 4.014 10 30 DIEERN N#C[C@]1(c2nc([C@H]3CCCc4ccccc43)no2)CC12CCCC2 ZINC000333887282 336211742 /nfs/dbraw/zinc/21/17/42/336211742.db2.gz XWEWPVPHJHZOLK-JXFKEZNVSA-N 0 0 319.408 4.263 10 30 DIEERN C[C@@H]1C[C@@H]1[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 ZINC000301293931 336299204 /nfs/dbraw/zinc/29/92/04/336299204.db2.gz OOJQQYQLBXDEJP-PUECVXPYSA-N 0 0 307.353 4.276 10 30 DIEERN N#Cc1cnc2ccc(Cl)cc2c1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000301431185 336306325 /nfs/dbraw/zinc/30/63/25/336306325.db2.gz QNOBGQCPVPLQHT-STQMWFEESA-N 0 0 309.800 4.162 10 30 DIEERN Cc1cc(C)c2ncc(C#N)c(N3C[C@H]4CC=CC[C@@H]4C3)c2c1 ZINC000301458053 336308027 /nfs/dbraw/zinc/30/80/27/336308027.db2.gz ZHXLGZBNFHPPFI-HZPDHXFCSA-N 0 0 303.409 4.126 10 30 DIEERN N#Cc1cc(F)c(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000301553087 336314416 /nfs/dbraw/zinc/31/44/16/336314416.db2.gz VZKSBVYYPJQEQK-VHSXEESVSA-N 0 0 304.262 4.369 10 30 DIEERN CO[C@H](C)c1nc(CN(C)c2ccc(C#N)c(Cl)c2)cs1 ZINC000301589976 336316919 /nfs/dbraw/zinc/31/69/19/336316919.db2.gz XEAFIYWTXVTXQU-SNVBAGLBSA-N 0 0 321.833 4.012 10 30 DIEERN COCC[C@H](Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000301646515 336320549 /nfs/dbraw/zinc/32/05/49/336320549.db2.gz NYJCTORJFRMCDP-KRWDZBQOSA-N 0 0 300.789 4.401 10 30 DIEERN CO[C@@H]1CCC[C@@H](Nc2c(C#N)cnc3c(C)cc(C)cc32)C1 ZINC000301761984 336328222 /nfs/dbraw/zinc/32/82/22/336328222.db2.gz GIVVDFGZGQGEKR-HZPDHXFCSA-N 0 0 309.413 4.093 10 30 DIEERN Cc1nc(CNc2c(C#N)cnc3c(C)cc(C)cc32)c(C)s1 ZINC000301823949 336332502 /nfs/dbraw/zinc/33/25/02/336332502.db2.gz CTMHRDWMHCONRP-UHFFFAOYSA-N 0 0 322.437 4.409 10 30 DIEERN Cc1nc(CNc2ccc(C(F)(F)F)cc2C#N)c(C)s1 ZINC000301837148 336333299 /nfs/dbraw/zinc/33/32/99/336333299.db2.gz MJSAAEKDLVOYCV-UHFFFAOYSA-N 0 0 311.332 4.263 10 30 DIEERN N#Cc1ccc(Cl)cc1N1CCC[C@H](c2nccs2)C1 ZINC000302079874 336347530 /nfs/dbraw/zinc/34/75/30/336347530.db2.gz XJVNMSKIWRRZRY-LBPRGKRZSA-N 0 0 303.818 4.052 10 30 DIEERN COc1cc(Nc2cc(C)nc(C)c2C#N)ccc1OC(C)C ZINC000302186555 336352951 /nfs/dbraw/zinc/35/29/51/336352951.db2.gz IGGFFXRBOWFPBF-UHFFFAOYSA-N 0 0 311.385 4.110 10 30 DIEERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(C#N)cc2)o1 ZINC000173198699 337133614 /nfs/dbraw/zinc/13/36/14/337133614.db2.gz ANUYPUBGRNWNAL-MRXNPFEDSA-N 0 0 309.369 4.219 10 30 DIEERN C=CCCC[C@@H](C)NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000181092809 337179763 /nfs/dbraw/zinc/17/97/63/337179763.db2.gz CZUAZBJNYQGXRJ-KGLIPLIRSA-N 0 0 307.463 4.125 10 30 DIEERN N#Cc1cc(Cl)ccc1NCc1ncc(-c2ccccc2)cn1 ZINC000186002615 337252699 /nfs/dbraw/zinc/25/26/99/337252699.db2.gz FEJXJPXAOVIXSE-UHFFFAOYSA-N 0 0 320.783 4.281 10 30 DIEERN N#Cc1cc(Cl)ccc1CN1CCCC[C@H]1c1nccs1 ZINC000186908693 337260362 /nfs/dbraw/zinc/26/03/62/337260362.db2.gz NTFCLHJTEXGDOM-HNNXBMFYSA-N 0 0 317.845 4.395 10 30 DIEERN CCCCCCCCC(=O)N1CCOC[C@@H]1c1nc(C)cs1 ZINC000188667291 337274852 /nfs/dbraw/zinc/27/48/52/337274852.db2.gz FAJMNCLFAZYOFS-OAHLLOKOSA-N 0 0 324.490 4.102 10 30 DIEERN N#Cc1cccc(-c2c[nH]c3nccc(N4CCC(F)CC4)c23)c1 ZINC000584598926 337370587 /nfs/dbraw/zinc/37/05/87/337370587.db2.gz ZINVITLUFBNLFL-UHFFFAOYSA-N 0 0 320.371 4.040 10 30 DIEERN C=C[C@@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)c(F)cc4[C@H]3CC[C@@]21C ZINC000584617732 337373061 /nfs/dbraw/zinc/37/30/61/337373061.db2.gz MOCNWSDADFHRAW-XIPNHXGNSA-N 0 0 316.416 4.305 10 30 DIEERN CCOC(=O)[C@](C#N)(CCC#N)c1ccc(C2CCCCC2)cc1 ZINC000584595643 337374130 /nfs/dbraw/zinc/37/41/30/337374130.db2.gz VGFNHVGWBLPCPN-FQEVSTJZSA-N 0 0 324.424 4.363 10 30 DIEERN CCCCCCCCC(=O)NCc1ccc(OC)c(OC)c1 ZINC000038153671 337379135 /nfs/dbraw/zinc/37/91/35/337379135.db2.gz KULLVDQTQMNXKM-UHFFFAOYSA-N 0 0 307.434 4.071 10 30 DIEERN COc1ccc(CCO/N=C/c2ccc(Cl)cc2C)cc1 ZINC000584651267 337380940 /nfs/dbraw/zinc/38/09/40/337380940.db2.gz MVVCKFRLLHYICZ-XDHOZWIPSA-N 0 0 303.789 4.250 10 30 DIEERN C=C(OCC)[C@H](CCc1ccccc1)Oc1cccc(F)n1 ZINC000584652635 337381180 /nfs/dbraw/zinc/38/11/80/337381180.db2.gz GVZSURYCWGUXEZ-INIZCTEOSA-N 0 0 301.361 4.151 10 30 DIEERN C=CCOc1cccc(NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116491596 337392767 /nfs/dbraw/zinc/39/27/67/337392767.db2.gz VRIUDDNRNYUTHD-INIZCTEOSA-N 0 0 312.369 4.213 10 30 DIEERN CC(C)[C@H](C)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000066954816 337543077 /nfs/dbraw/zinc/54/30/77/337543077.db2.gz AWTKPWLOZFPEAJ-STQMWFEESA-N 0 0 305.447 4.247 10 30 DIEERN N#Cc1ccc(NCc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000072910887 337549002 /nfs/dbraw/zinc/54/90/02/337549002.db2.gz CHZJEYMGNWSCNF-UHFFFAOYSA-N 0 0 309.756 4.479 10 30 DIEERN C=CCOc1cccc(NC(=O)N[C@@H](C)c2cccs2)c1 ZINC000056554992 337851835 /nfs/dbraw/zinc/85/18/35/337851835.db2.gz UGVMCFWYGBSCLD-LBPRGKRZSA-N 0 0 302.399 4.196 10 30 DIEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(OCc2ccccc2)cc1 ZINC000302976640 340291614 /nfs/dbraw/zinc/29/16/14/340291614.db2.gz SKHLVKFMTYRXKF-QUCCMNQESA-N 0 0 306.409 4.047 10 30 DIEERN N#C[C@H]1CCC[C@H]1NCc1ccc(OCc2ccccc2)cc1 ZINC000302976642 340291636 /nfs/dbraw/zinc/29/16/36/340291636.db2.gz SKHLVKFMTYRXKF-UYAOXDASSA-N 0 0 306.409 4.047 10 30 DIEERN CC(C)c1ccc([C@@H](C)NC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000194714301 340595133 /nfs/dbraw/zinc/59/51/33/340595133.db2.gz QEQYVXCPIMOXJR-OAHLLOKOSA-N 0 0 306.409 4.102 10 30 DIEERN C/C(=N/NC(=S)NC(C)C)c1ccc(C2CCCCC2)cc1 ZINC000033681594 518451793 /nfs/dbraw/zinc/45/17/93/518451793.db2.gz OZLBETBOIJOXPV-ZHZULCJRSA-N 0 0 317.502 4.331 10 30 DIEERN CC(=O)c1sc(N=NCc2ccc(C(C)C)cc2)nc1C ZINC000031904185 518496321 /nfs/dbraw/zinc/49/63/21/518496321.db2.gz MMDPECUCZOLXHS-MFOYZWKCSA-N 0 0 301.415 4.224 10 30 DIEERN Cc1cc(Oc2ccc(Br)cc2)c(C#N)c(C)n1 ZINC000157475004 525384114 /nfs/dbraw/zinc/38/41/14/525384114.db2.gz MTJSAQTYFDBXCN-UHFFFAOYSA-N 0 0 303.159 4.125 10 30 DIEERN Cc1ccc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc1 ZINC000033289719 525966481 /nfs/dbraw/zinc/96/64/81/525966481.db2.gz UFQIDCRRRWJGBG-JAIQZWGSSA-N 0 0 322.437 4.069 10 30 DIEERN O=C1N=C(NN=Cc2ccc(F)cc2)SC1c1ccccc1 ZINC000005738377 563330265 /nfs/dbraw/zinc/33/02/65/563330265.db2.gz XBMWOKLRNJYZKS-VCHYOVAHSA-N 0 0 313.357 4.101 10 30 DIEERN C/C(=N/S(=O)(=O)c1cc(C)ccc1C)c1ccc(Cl)cc1 ZINC000085347951 563520640 /nfs/dbraw/zinc/52/06/40/563520640.db2.gz QBPKEFSGXOGPRE-AQTBWJFISA-N 0 0 321.829 4.155 10 30 DIEERN C=C[C@](C)(O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=C[C@@H](O)C[C@@H]21 ZINC000033831763 563556798 /nfs/dbraw/zinc/55/67/98/563556798.db2.gz YBIQUOCNAHKKPT-QIXFSGBHSA-N 0 0 306.490 4.473 10 30 biogenic DIEERN Cc1cscc1NC(=O)NC[C@H]1CCCc2sc(C)nc21 ZINC000328625798 563642402 /nfs/dbraw/zinc/64/24/02/563642402.db2.gz LCEFILGRSPDTET-LLVKDONJSA-N 0 0 321.471 4.267 10 30 DIEERN C[C@H]1CCc2c(C#N)c(N=Cc3ccc4c(c3)OCO4)sc2C1 ZINC000252610028 563917699 /nfs/dbraw/zinc/91/76/99/563917699.db2.gz HYEBISGQKDCLRJ-NSHDSACASA-N 0 0 324.405 4.224 10 30 DIEERN C/C(=N\OCc1ccc(Cl)cc1Cl)c1cnc(C)nc1C ZINC000048546174 563924010 /nfs/dbraw/zinc/92/40/10/563924010.db2.gz DEBDVCJLHAECGN-KEBDBYFISA-N 0 0 324.211 4.341 10 30 DIEERN Cc1cccc([C@@H]2CCCCN2C(=O)Nc2cnc(C)nc2)c1C ZINC000328601224 1036157975 /nfs/dbraw/zinc/15/79/75/1036157975.db2.gz FCZSKVFTGIYQPA-SFHVURJKSA-N 0 0 324.428 4.175 10 30 DIEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000328705050 1036925957 /nfs/dbraw/zinc/92/59/57/1036925957.db2.gz PBZIVBHNUQSKBX-QXCZDIPSSA-N 0 0 323.440 4.003 10 30 DIEERN O=C(N[C@@H]1CCCc2occc21)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329546631 1039501230 /nfs/dbraw/zinc/50/12/30/1039501230.db2.gz DLXRHKBLMKWYDH-RZQQEMMASA-N 0 0 323.392 4.354 10 30 DIEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000332908181 1042412777 /nfs/dbraw/zinc/41/27/77/1042412777.db2.gz UPCLCIVCDVYHCW-OLZOCXBDSA-N 0 0 318.446 4.005 10 30 DIEERN O=C(C[C@@H]1CCCCNC1=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000328753814 1043076552 /nfs/dbraw/zinc/07/65/52/1043076552.db2.gz DLOZIQPXJZMHPQ-SDDRHHMPSA-N 0 0 320.355 4.211 10 30 DIEERN Cc1ccccc1C[C@H](C)NC(=O)C[C@@H]1CCCCNC1=O ZINC000329256757 1043958618 /nfs/dbraw/zinc/95/86/18/1043958618.db2.gz XTVXVGGQJRTNPZ-HOCLYGCPSA-N 0 0 302.418 4.029 10 30 DIEERN C=C[C@H](CC(=O)Nc1cccc(-c2ncon2)c1)c1ccccc1 ZINC000125102123 1046464483 /nfs/dbraw/zinc/46/44/83/1046464483.db2.gz YXYPGMXEIUNWIS-CQSZACIVSA-N 0 0 319.364 4.035 10 30 DIEERN C#CCCCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000190565875 334955061 /nfs/dbraw/zinc/95/50/61/334955061.db2.gz DTUSNIGSIFLVNT-INIZCTEOSA-N 0 0 309.331 4.076 10 30 DIEERN N#Cc1ccsc1NC(=O)c1ccc(Cc2ccccc2)cc1 ZINC000004330579 181098590 /nfs/dbraw/zinc/09/85/90/181098590.db2.gz XNUXMVPPNZNOKR-UHFFFAOYSA-N 0 0 318.401 4.463 10 30 DIEERN N#Cc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1 ZINC000006597700 181359466 /nfs/dbraw/zinc/35/94/66/181359466.db2.gz JANFPWLDCXSGCH-UHFFFAOYSA-N 0 0 320.377 4.326 10 30 DIEERN CC(=O)/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1C ZINC000006861069 181398422 /nfs/dbraw/zinc/39/84/22/181398422.db2.gz RWTFAOAGHQYTDD-LFIBNONCSA-N 0 0 313.784 4.260 10 30 DIEERN CC[C@@H](C)Oc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000009208430 181607485 /nfs/dbraw/zinc/60/74/85/181607485.db2.gz LCXYSXKJNXAHGV-CYBMUJFWSA-N 0 0 315.413 4.118 10 30 DIEERN C=C(C)COc1ccccc1C(=O)Nc1ccc(OCC)cc1 ZINC000009877450 181645143 /nfs/dbraw/zinc/64/51/43/181645143.db2.gz LLDSTTHDJIOBJH-UHFFFAOYSA-N 0 0 311.381 4.293 10 30 DIEERN C=CCOc1cccc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 ZINC000014547536 181957910 /nfs/dbraw/zinc/95/79/10/181957910.db2.gz LEWZUCKOUJJJKW-FRQCXROJSA-N 0 0 304.393 4.473 10 30 DIEERN COc1cccc([C@@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000014550139 181958544 /nfs/dbraw/zinc/95/85/44/181958544.db2.gz PMHXPQBYJDJIRC-ZWOKBUDYSA-N 0 0 302.377 4.393 10 30 DIEERN C[C@@H](Nc1ccccc1C#N)c1ccc(Br)cc1 ZINC000019921479 182164279 /nfs/dbraw/zinc/16/42/79/182164279.db2.gz LXEFNFQUMANOAD-LLVKDONJSA-N 0 0 301.187 4.494 10 30 DIEERN C[C@H](Nc1ccc(C#N)cc1)c1ccccc1Br ZINC000019951124 182169256 /nfs/dbraw/zinc/16/92/56/182169256.db2.gz RBYWTQKEXZNZHP-NSHDSACASA-N 0 0 301.187 4.494 10 30 DIEERN C/C(=N\O)c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1 ZINC000020012743 182177635 /nfs/dbraw/zinc/17/76/35/182177635.db2.gz QMCMHQQZJLEGMG-DJKKODMXSA-N 0 0 323.179 4.444 10 30 DIEERN CC(C)c1ccc(SCc2cccc(/C(N)=N/O)c2)cc1 ZINC000020014253 182178540 /nfs/dbraw/zinc/17/85/40/182178540.db2.gz LTABQNNRRUSYHO-UHFFFAOYSA-N 0 0 300.427 4.197 10 30 DIEERN C/C(=N\O)c1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000020023556 182179543 /nfs/dbraw/zinc/17/95/43/182179543.db2.gz FBTVWFJYBNEDIO-DJKKODMXSA-N 0 0 323.179 4.444 10 30 DIEERN C/C(=N\O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000020024744 182180514 /nfs/dbraw/zinc/18/05/14/182180514.db2.gz JWOBXDMBYFWUTE-DJKKODMXSA-N 0 0 323.179 4.444 10 30 DIEERN N/C(=N\O)c1ccc(Sc2cc(Cl)ccc2Cl)cc1 ZINC000020557095 182231623 /nfs/dbraw/zinc/23/16/23/182231623.db2.gz RSAWDIVSKWNVLI-UHFFFAOYSA-N 0 0 313.209 4.239 10 30 DIEERN N#Cc1ccc(CNc2cc(Br)ccc2F)cc1 ZINC000036751234 182840761 /nfs/dbraw/zinc/84/07/61/182840761.db2.gz MSCGUSYNRJQDBL-UHFFFAOYSA-N 0 0 305.150 4.072 10 30 DIEERN N#C[C@@H](Nc1ccc(F)cc1)c1ccccc1Br ZINC000037935902 182939634 /nfs/dbraw/zinc/93/96/34/182939634.db2.gz TXPBJPNKAGWSAX-CQSZACIVSA-N 0 0 305.150 4.265 10 30 DIEERN COc1ccc(Br)cc1[C@@H](C#N)Nc1ccccc1 ZINC000037935403 182940068 /nfs/dbraw/zinc/94/00/68/182940068.db2.gz LIKOMWZUNJBMSH-CQSZACIVSA-N 0 0 317.186 4.134 10 30 DIEERN CCOC(=O)c1cnc2c(C#N)cccc2c1Nc1ccccc1 ZINC000039376742 183017435 /nfs/dbraw/zinc/01/74/35/183017435.db2.gz NWUNMWHTSWBCEJ-UHFFFAOYSA-N 0 0 317.348 4.027 10 30 DIEERN C=CCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000040891625 183145967 /nfs/dbraw/zinc/14/59/67/183145967.db2.gz JPEWVNZNXHQAHQ-UHFFFAOYSA-N 0 0 311.425 4.406 10 30 DIEERN C[C@@H](NC(=O)[C@@H](C#N)C(C)(C)C)c1ccc(Cl)cc1Cl ZINC000043068551 183333603 /nfs/dbraw/zinc/33/36/03/183333603.db2.gz YEJGPFZQLRMXOI-BXKDBHETSA-N 0 0 313.228 4.356 10 30 in-vitro DIEERN CCCCCCCCCCCCCCCCNS(N)(=O)=O ZINC000043543918 183370178 /nfs/dbraw/zinc/37/01/78/183370178.db2.gz ANHFOIVEIHQMPJ-UHFFFAOYSA-N 0 0 320.543 4.261 10 30 DIEERN N#CCc1ccc(OCc2cc(Br)cs2)cc1 ZINC000043687141 183380257 /nfs/dbraw/zinc/38/02/57/183380257.db2.gz KOGOXKXPEWAOQN-UHFFFAOYSA-N 0 0 308.200 4.156 10 30 DIEERN N/C(=N/O)c1c(Cl)cccc1Sc1ccccc1Cl ZINC000052907831 183879757 /nfs/dbraw/zinc/87/97/57/183879757.db2.gz ADKTXSHDRNFRAJ-UHFFFAOYSA-N 0 0 313.209 4.239 10 30 DIEERN Cc1ccccc1NC(=O)[C@@H](C)SCc1ccc(C#N)cc1 ZINC000058236080 184092856 /nfs/dbraw/zinc/09/28/56/184092856.db2.gz VZDXTHWUDSYLCR-CQSZACIVSA-N 0 0 310.422 4.127 10 30 DIEERN N#C[C@@H](CCc1ccccc1)Nc1ccccc1Br ZINC000061625249 184178954 /nfs/dbraw/zinc/17/89/54/184178954.db2.gz PXFPMXNCERCHPT-CQSZACIVSA-N 0 0 315.214 4.386 10 30 DIEERN Cc1cc(Br)ccc1Oc1ccc(N)cc1C#N ZINC000063061522 184268595 /nfs/dbraw/zinc/26/85/95/184268595.db2.gz XWUZVTUYXHOMRB-UHFFFAOYSA-N 0 0 303.159 4.004 10 30 DIEERN C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000254870463 257104690 /nfs/dbraw/zinc/10/46/90/257104690.db2.gz XWALNWXLMVGSFR-SFUSBHMVSA-N 0 0 300.442 4.045 10 30 DIEERN CC(/C=C/C1=C(C)C(=O)CCC1(C)C)=C\C=C\C(C)=C/C(N)=O ZINC000504727312 257140081 /nfs/dbraw/zinc/14/00/81/257140081.db2.gz UZXXUVCTFYIVPT-FAOQNJJDSA-N 0 0 313.441 4.182 10 30 DIEERN N#Cc1cc(SC(F)(F)F)c(C(F)(F)C(F)(F)F)cn1 ZINC000097950030 257212154 /nfs/dbraw/zinc/21/21/54/257212154.db2.gz AYWSQWLOKZLSRM-UHFFFAOYSA-N 0 0 322.180 4.219 10 30 DIEERN N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000173010840 332822137 /nfs/dbraw/zinc/82/21/37/332822137.db2.gz OVOMSHWVXZAQDZ-LLVKDONJSA-N 0 0 322.252 4.356 10 30 DIEERN Cc1c(Cl)cc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1Cl ZINC000408164459 332022964 /nfs/dbraw/zinc/02/29/64/332022964.db2.gz ICTJAAMBTVVLES-NOZJJQNGSA-N 0 0 312.200 4.116 10 30 DIEERN CCCCCCCCC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000151786719 332239565 /nfs/dbraw/zinc/23/95/65/332239565.db2.gz ATKYUDNDMXPSLM-OAHLLOKOSA-N 0 0 320.481 4.103 10 30 DIEERN Cc1ccccc1C1(C(=O)N[C@H]2CCC[C@@H]2C#N)CCCCC1 ZINC000408338909 332481655 /nfs/dbraw/zinc/48/16/55/332481655.db2.gz MWDKWDJSHHPRBB-AEFFLSMTSA-N 0 0 310.441 4.005 10 30 DIEERN Cc1ccccc1C1(C(=O)N[C@@H]2CCC[C@@H]2C#N)CCCCC1 ZINC000408338911 332481773 /nfs/dbraw/zinc/48/17/73/332481773.db2.gz MWDKWDJSHHPRBB-SJLPKXTDSA-N 0 0 310.441 4.005 10 30 DIEERN N#Cc1cc(N2CCC[C@H](C(F)(F)F)C2)ccc1C(F)(F)F ZINC000178782834 333020159 /nfs/dbraw/zinc/02/01/59/333020159.db2.gz OKHJVTJRZWJKJQ-JTQLQIEISA-N 0 0 322.252 4.356 10 30 DIEERN COc1ccc([C@@H](C)CNc2ccccc2O[C@H](C)C#N)cc1 ZINC000181131857 333167678 /nfs/dbraw/zinc/16/76/78/333167678.db2.gz YCSRHBYULRMBIL-LSDHHAIUSA-N 0 0 310.397 4.202 10 30 DIEERN C[C@@H](NC[C@H](C#N)CCC#N)c1c(Cl)ccc(F)c1Cl ZINC000112533011 333465346 /nfs/dbraw/zinc/46/53/46/333465346.db2.gz WHPPTBXWNUQXJE-ZJUUUORDSA-N 0 0 314.191 4.227 10 30 DIEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@H]1CCc2c1cccc2F ZINC000328632861 334744925 /nfs/dbraw/zinc/74/49/25/334744925.db2.gz APMPVADHDBMGCG-NHYWBVRUSA-N 0 0 304.365 4.059 10 30 DIEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1CCCc2sccc21 ZINC000328679101 334748677 /nfs/dbraw/zinc/74/86/77/334748677.db2.gz TWAKNXRTNOHIDG-WCQYABFASA-N 0 0 306.431 4.371 10 30 DIEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000328705049 334749794 /nfs/dbraw/zinc/74/97/94/334749794.db2.gz PBZIVBHNUQSKBX-OYSTVDSJSA-N 0 0 323.440 4.003 10 30 DIEERN Cc1cnc([C@H](NC(=O)C[C@H]2CCCCNC2=O)C2CC2)s1 ZINC000328853358 334760411 /nfs/dbraw/zinc/76/04/11/334760411.db2.gz JEKYRFBSUGDBAO-TZMCWYRMSA-N 0 0 321.446 4.006 10 30 DIEERN C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000094591789 335744354 /nfs/dbraw/zinc/74/43/54/335744354.db2.gz PFBXOUZHXVBXAO-JTQLQIEISA-N 0 0 301.733 4.293 10 30 DIEERN O=C(C[C@@H]1CCCCNC1=O)Nc1cccc2c1CCCC2 ZINC000329261125 335957255 /nfs/dbraw/zinc/95/72/55/335957255.db2.gz ZBODVBGGUMAPAI-AWEZNQCLSA-N 0 0 300.402 4.300 10 30 DIEERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)c1cc2ccccc2c(=O)[nH]1 ZINC000329337765 335965497 /nfs/dbraw/zinc/96/54/97/335965497.db2.gz MRCLSCBKUADRPX-RDJZCZTQSA-N 0 0 324.424 4.461 10 30 DIEERN O=C(C[C@H]1CCCCC(=O)N1)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329360893 335968074 /nfs/dbraw/zinc/96/80/74/335968074.db2.gz YEBJQPOPOFGCLK-XHSDSOJGSA-N 0 0 306.450 4.449 10 30 DIEERN C#CCc1cc(COC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c(C)o1 ZINC000002012722 335968844 /nfs/dbraw/zinc/96/88/44/335968844.db2.gz WXBHKHTWAPLUSQ-IAGOWNOFSA-N 0 0 300.398 4.045 10 30 DIEERN CCS[C@@H]1CCC[C@H](NC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329433996 335975898 /nfs/dbraw/zinc/97/58/98/335975898.db2.gz LAFWQDWBIFZGIT-HZSPNIEDSA-N 0 0 312.479 4.154 10 30 DIEERN Cc1ccc(F)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1F ZINC000329557387 335993722 /nfs/dbraw/zinc/99/37/22/335993722.db2.gz LCNWTUPBYQQXQH-IAQYHMDHSA-N 0 0 324.371 4.111 10 30 DIEERN CC(C)(CNC(=O)c1ncoc1[C@H]1CCCO1)C1=CCCCC1 ZINC000330004583 336104917 /nfs/dbraw/zinc/10/49/17/336104917.db2.gz BEYOWCVWQPYLFU-CQSZACIVSA-N 0 0 318.417 4.357 10 30 DIEERN Cc1noc(-c2ccccc2)c1NC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330227619 336127160 /nfs/dbraw/zinc/12/71/60/336127160.db2.gz CBOUMQXBASGXRQ-HIFRSBDPSA-N 0 0 311.385 4.070 10 30 DIEERN Cc1cnc(-c2cccc(NC(=O)N3CC[C@@H]4CCC[C@H]43)c2)o1 ZINC000330265607 336131342 /nfs/dbraw/zinc/13/13/42/336131342.db2.gz ZLPTXDLKRRJLDZ-XJKSGUPXSA-N 0 0 311.385 4.070 10 30 DIEERN CC(C)(C#N)c1ccc(NC(=O)c2ccc3c(n2)CCCC3)cc1 ZINC000333448787 336203972 /nfs/dbraw/zinc/20/39/72/336203972.db2.gz LGFQOXCKMBHRLM-UHFFFAOYSA-N 0 0 319.408 4.014 10 30 DIEERN N#C[C@@]1(c2nc(C3(c4ccc(F)cc4)CC3)no2)CC12CCCC2 ZINC000333583466 336206317 /nfs/dbraw/zinc/20/63/17/336206317.db2.gz ODMSLIUKHJMZRX-LJQANCHMSA-N 0 0 323.371 4.014 10 30 DIEERN N#C[C@@]1(c2nc(C3(c4ccccc4F)CC3)no2)CC12CCCC2 ZINC000333754573 336209622 /nfs/dbraw/zinc/20/96/22/336209622.db2.gz ZNNHKDJGVNSHPI-LJQANCHMSA-N 0 0 323.371 4.014 10 30 DIEERN N#C[C@@]1(c2nc([C@H]3CCCc4ccccc43)no2)CC12CCCC2 ZINC000333887283 336211779 /nfs/dbraw/zinc/21/17/79/336211779.db2.gz XWEWPVPHJHZOLK-OXJNMPFZSA-N 0 0 319.408 4.263 10 30 DIEERN C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H](C)C1 ZINC000159106124 338517838 /nfs/dbraw/zinc/51/78/38/338517838.db2.gz LQJNANKMPUUTJZ-LSDHHAIUSA-N 0 0 313.445 4.388 10 30 DIEERN C[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)c1cccc(O)c1 ZINC000192745338 336260381 /nfs/dbraw/zinc/26/03/81/336260381.db2.gz ZOHKDTGAKHYRNO-SNVBAGLBSA-N 0 0 306.287 4.456 10 30 DIEERN COC(=O)Nc1ccc(CNc2ccc(Cl)cc2C#N)cc1 ZINC000301198729 336294512 /nfs/dbraw/zinc/29/45/12/336294512.db2.gz OPYDOTAKGXARPQ-UHFFFAOYSA-N 0 0 315.760 4.002 10 30 DIEERN N#Cc1ccc(Cl)cc1NCc1ccnc(OCC2CC2)c1 ZINC000301288337 336298914 /nfs/dbraw/zinc/29/89/14/336298914.db2.gz RVFUEQLLFQUSKX-UHFFFAOYSA-N 0 0 313.788 4.008 10 30 DIEERN CC[C@@H](Nc1ccc(C#N)nc1)c1ccc(Br)cc1 ZINC000301511475 336311480 /nfs/dbraw/zinc/31/14/80/336311480.db2.gz FIIATRLEEAXOFJ-OAHLLOKOSA-N 0 0 316.202 4.279 10 30 DIEERN Cn1c(Cl)c(Cl)cc1CNc1ccc(Cl)cc1C#N ZINC000301664725 336321903 /nfs/dbraw/zinc/32/19/03/336321903.db2.gz WCDXTJLEUQPIML-UHFFFAOYSA-N 0 0 314.603 4.469 10 30 DIEERN CO[C@H]1CCC[C@H](Nc2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000301787855 336329916 /nfs/dbraw/zinc/32/99/16/336329916.db2.gz QAWZJXLEKWXBPY-KBPBESRZSA-N 0 0 315.804 4.129 10 30 DIEERN Cn1cc(-c2cccc(CNc3c(Cl)cccc3C#N)c2)cn1 ZINC000301858066 336334547 /nfs/dbraw/zinc/33/45/47/336334547.db2.gz DPWFYVHVXFEQMX-UHFFFAOYSA-N 0 0 322.799 4.224 10 30 DIEERN Cc1nc(CNc2ccc(Br)cc2C#N)c(C)s1 ZINC000302084292 336347826 /nfs/dbraw/zinc/34/78/26/336347826.db2.gz MVLYVSFVBAQJRE-UHFFFAOYSA-N 0 0 322.231 4.006 10 30 DIEERN CC(=O)c1ccc(C#N)c(N[C@@H](C)c2ccc(F)cc2F)c1 ZINC000302109702 336348886 /nfs/dbraw/zinc/34/88/86/336348886.db2.gz OXCPJWLMKAPIIQ-JTQLQIEISA-N 0 0 300.308 4.212 10 30 DIEERN CC(=O)c1ccc(C#N)c(N2CCC[C@H]2c2ccc(C)s2)c1 ZINC000302113600 336349205 /nfs/dbraw/zinc/34/92/05/336349205.db2.gz QPODTILBPBXTMV-INIZCTEOSA-N 0 0 310.422 4.472 10 30 DIEERN C[C@H](Nc1cccc(-c2cnco2)c1)c1ccc(OCC#N)cc1 ZINC000193911176 337080553 /nfs/dbraw/zinc/08/05/53/337080553.db2.gz XXWSNLIISPWJEQ-AWEZNQCLSA-N 0 0 319.364 4.417 10 30 DIEERN CCc1ccc([C@H]2CCCCN2C(=O)c2cccc(CC#N)c2)o1 ZINC000172669728 337129452 /nfs/dbraw/zinc/12/94/52/337129452.db2.gz BCUFYWMLONMZRM-GOSISDBHSA-N 0 0 322.408 4.275 10 30 DIEERN CC[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(C)cc1 ZINC000186026457 337252987 /nfs/dbraw/zinc/25/29/87/337252987.db2.gz UYTWXIAHOFBWKD-GOSISDBHSA-N 0 0 317.396 4.011 10 30 DIEERN CCC[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccsc1 ZINC000187919793 337268760 /nfs/dbraw/zinc/26/87/60/337268760.db2.gz AAWYKWCHHVTAGU-INIZCTEOSA-N 0 0 323.425 4.154 10 30 DIEERN N#Cc1ccc(OCCCCCOc2cccc(C#N)c2)cc1 ZINC000584598806 337370539 /nfs/dbraw/zinc/37/05/39/337370539.db2.gz KHWRHSHAODSLLH-UHFFFAOYSA-N 0 0 306.365 4.058 10 30 DIEERN C[Si](C)(C)CCOCn1c(C(=O)CC#N)cc2ccccc21 ZINC000584618864 337373328 /nfs/dbraw/zinc/37/33/28/337373328.db2.gz USSSPYVGKGMWIJ-UHFFFAOYSA-N 0 0 314.461 4.050 10 30 DIEERN C=C1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C[C@H]12 ZINC000584637659 337379587 /nfs/dbraw/zinc/37/95/87/337379587.db2.gz YFXTZWNGEQCFMN-MTZVGREISA-N 0 0 302.458 4.125 10 30 DIEERN CCCCCCCCC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000109672590 337388504 /nfs/dbraw/zinc/38/85/04/337388504.db2.gz XIIGTZWDVPEPSN-QGZVFWFLSA-N 0 0 319.493 4.451 10 30 DIEERN Cc1nc([C@H](C)Nc2ccc(C#N)cc2Br)cs1 ZINC000037072375 337395250 /nfs/dbraw/zinc/39/52/50/337395250.db2.gz DLBWNODBTZCEJS-QMMMGPOBSA-N 0 0 322.231 4.259 10 30 DIEERN N#Cc1cccc(NCc2ncc(-c3ccccc3Cl)o2)c1 ZINC000072910945 337548947 /nfs/dbraw/zinc/54/89/47/337548947.db2.gz BQKKPJIUWRGEDM-UHFFFAOYSA-N 0 0 309.756 4.479 10 30 DIEERN N#CCc1ccc(NC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000076084003 337563963 /nfs/dbraw/zinc/56/39/63/337563963.db2.gz PKGUTOOMUDPVAR-UHFFFAOYSA-N 0 0 317.392 4.074 10 30 DIEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(OCc2ccccc2)cc1 ZINC000302976639 340291662 /nfs/dbraw/zinc/29/16/62/340291662.db2.gz SKHLVKFMTYRXKF-ICSRJNTNSA-N 0 0 306.409 4.047 10 30 DIEERN Cc1nc(N[C@H](C)c2cccc(Br)c2)ccc1C#N ZINC000312028532 340450771 /nfs/dbraw/zinc/45/07/71/340450771.db2.gz YFXXWZHXGXLTBD-SNVBAGLBSA-N 0 0 316.202 4.197 10 30 DIEERN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)C(C)C ZINC000078316253 341240165 /nfs/dbraw/zinc/24/01/65/341240165.db2.gz HPTGMGNXOHTSJC-LLVKDONJSA-N 0 0 300.855 4.144 10 30 DIEERN CCn1nc(C)c(/C=C\C(=O)c2cccc(OC(F)F)c2)c1C ZINC000035678658 523620341 /nfs/dbraw/zinc/62/03/41/523620341.db2.gz XMQRUZUHAPEWGS-HJWRWDBZSA-N 0 0 320.339 4.017 10 30 DIEERN Cc1cc(NCc2ccc(Br)s2)c(C#N)c(C)n1 ZINC000157442785 525279483 /nfs/dbraw/zinc/27/94/83/525279483.db2.gz ZAEILCLJAKGWEC-UHFFFAOYSA-N 0 0 322.231 4.006 10 30 DIEERN Cc1cc(Oc2ccc(Br)cc2F)c(C#N)c(C)n1 ZINC000156539192 525384533 /nfs/dbraw/zinc/38/45/33/525384533.db2.gz BKFWQQFMVLPAAC-UHFFFAOYSA-N 0 0 321.149 4.264 10 30 DIEERN Cc1n[nH]c(=S)n1N=Cc1c(Cl)ccc(Cl)c1Cl ZINC000033289504 526481029 /nfs/dbraw/zinc/48/10/29/526481029.db2.gz RLJNZUGJKSSECY-CPSFFCFKSA-N 0 0 321.620 4.092 10 30 DIEERN Cc1nc([C@@H]2CCCN2Cc2ccc(Cl)cc2C#N)cs1 ZINC000189823162 527052431 /nfs/dbraw/zinc/05/24/31/527052431.db2.gz FZDBJEXAWPRTBF-INIZCTEOSA-N 0 0 317.845 4.314 10 30 DIEERN COc1ccc(/C=N/c2ccc(Br)cc2)c(OC)c1 ZINC000003106522 563321946 /nfs/dbraw/zinc/32/19/46/563321946.db2.gz LSJIJMRZVRZPHG-LICLKQGHSA-N 0 0 320.186 4.217 10 30 DIEERN C[C@H](C=O)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@]12C ZINC000026522170 563426053 /nfs/dbraw/zinc/42/60/53/563426053.db2.gz DCXYXPCMRLYABB-RDGCENLJSA-N 0 0 314.425 4.263 10 30 DIEERN Cc1ccsc1C(=O)NC[C@@H]1CCCc2sc(C)nc21 ZINC000328630086 563929879 /nfs/dbraw/zinc/92/98/79/563929879.db2.gz PNIHPMZKUROBLH-NSHDSACASA-N 0 0 306.456 4.246 10 30 DIEERN CC1(C)CC[C@H](C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000328648567 1043075044 /nfs/dbraw/zinc/07/50/44/1043075044.db2.gz IFGKKXMPHHSHDE-HRCADAONSA-N 0 0 302.418 4.085 10 30 DIEERN CC[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)c1nc(C)cs1 ZINC000328673267 1043075162 /nfs/dbraw/zinc/07/51/62/1043075162.db2.gz OYUKNMUKULLKNC-RYUDHWBXSA-N 0 0 309.435 4.148 10 30 DIEERN Cc1ccc(CC(=O)N[C@@H]2CCC(=O)NC23CCC3)c(Cl)c1 ZINC000328754914 1043077077 /nfs/dbraw/zinc/07/70/77/1043077077.db2.gz SNPRCETUCPOXFQ-CQSZACIVSA-N 0 0 320.820 4.189 10 30 DIEERN O=C(C[C@@H]1CCCCNC1=O)N[C@H](c1ccccc1)C1CC1 ZINC000328798650 1043079824 /nfs/dbraw/zinc/07/98/24/1043079824.db2.gz WWIJZBKONOLWPU-DOTOQJQBSA-N 0 0 300.402 4.241 10 30 DIEERN O=C(C[C@@H]1CCCCNC1=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000329404000 1043975869 /nfs/dbraw/zinc/97/58/69/1043975869.db2.gz YWFCNMFRCZMXFS-XJKSGUPXSA-N 0 0 318.392 4.306 10 30 DIEERN C=C[C@@H](CC(=O)Nc1cccc(-c2ncon2)c1)c1ccccc1 ZINC000125101953 1046464629 /nfs/dbraw/zinc/46/46/29/1046464629.db2.gz YXYPGMXEIUNWIS-AWEZNQCLSA-N 0 0 319.364 4.035 10 30 DIEERN N#CCN(Cc1ncc(-c2ccccc2Cl)o1)C1CCCC1 ZINC000075752065 1046829440 /nfs/dbraw/zinc/82/94/40/1046829440.db2.gz JLYBXLOZWWXGGC-UHFFFAOYSA-N 0 0 315.804 4.263 10 30 DIEERN N#Cc1cccnc1N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151149215 1047821294 /nfs/dbraw/zinc/82/12/94/1047821294.db2.gz PDVOPEZTKAVYQH-MRXNPFEDSA-N 0 0 305.381 4.202 10 30 DIEERN CC(C)(C)c1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)cc1 ZINC000096838458 185389131 /nfs/dbraw/zinc/38/91/31/185389131.db2.gz QTQAYDULJGIOEL-FOWTUZBSSA-N 0 0 305.377 4.203 10 30 DIEERN CN(C)c1ccc(/C=C/c2nc3cc(C#N)ccc3s2)cc1 ZINC000090567730 185304117 /nfs/dbraw/zinc/30/41/17/185304117.db2.gz QCLHLAVKIMHSCR-UXBLZVDNSA-N 0 0 305.406 4.404 10 30 DIEERN CN(C)c1ccc(/C=C/c2nc3c(cccc3C#N)s2)cc1 ZINC000090567888 185304245 /nfs/dbraw/zinc/30/42/45/185304245.db2.gz PLSKUQKYFCGUEQ-DHZHZOJOSA-N 0 0 305.406 4.404 10 30 DIEERN CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 ZINC000003973882 181059696 /nfs/dbraw/zinc/05/96/96/181059696.db2.gz XDYGCIOWNPNVIH-YSIASYRMSA-N 0 0 316.441 4.305 10 30 in-vitro DIEERN CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000004964544 181180899 /nfs/dbraw/zinc/18/08/99/181180899.db2.gz YIOGTIWUEFPJFG-VCHYOVAHSA-N 0 0 321.283 4.032 10 30 DIEERN CC(=CC(=O)Nc1ccccc1Cl)NNc1ccccc1 ZINC000005282619 181225951 /nfs/dbraw/zinc/22/59/51/181225951.db2.gz LCBCMBZCYNQPFF-XDHOZWIPSA-N 0 0 301.777 4.157 10 30 DIEERN CC(C)(C)c1cc(C(=O)OCCC#N)cc(C(C)(C)C)c1O ZINC000005284254 181226437 /nfs/dbraw/zinc/22/64/37/181226437.db2.gz PARUSZDFMYJCBX-UHFFFAOYSA-N 0 0 303.402 4.058 10 30 DIEERN Cc1nc(-c2ccccc2)sc1-c1ccc(SCC#N)nn1 ZINC000005442383 181243400 /nfs/dbraw/zinc/24/34/00/181243400.db2.gz XPLGBDATUYVSBG-UHFFFAOYSA-N 0 0 324.434 4.191 10 30 DIEERN O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C\c1ccco1 ZINC000005557595 181256693 /nfs/dbraw/zinc/25/66/93/181256693.db2.gz QOGUPQXCUZQZSV-WJDWOHSUSA-N 0 0 320.373 4.324 10 30 DIEERN CC(C)C1=CC(=Nc2ccc([N+](=O)[O-])cc2)C=C(C(C)C)C1=O ZINC000005726918 181277101 /nfs/dbraw/zinc/27/71/01/181277101.db2.gz FVBYGPVZEYLVKL-UHFFFAOYSA-N 0 0 312.369 4.415 10 30 DIEERN COc1ccc(C=Nc2ccc3[nH]c(C(C)C)nc3c2)cc1OC ZINC000005911474 181295890 /nfs/dbraw/zinc/29/58/90/181295890.db2.gz ZTFYMNVFESLUJG-RGVLZGJSSA-N 0 0 323.396 4.454 10 30 DIEERN CC(N=Nc1ncc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000005938919 181298472 /nfs/dbraw/zinc/29/84/72/181298472.db2.gz ZYNTZECQTZOVFU-DJKKODMXSA-N 0 0 305.168 4.096 10 30 DIEERN Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1CC(C)C ZINC000006210373 181319573 /nfs/dbraw/zinc/31/95/73/181319573.db2.gz ADCRUGPVXQFBCV-VXLYETTFSA-N 0 0 309.417 4.083 10 30 DIEERN O=C(OCc1ccccc1)N1CCC2(C1)CCC(CS)CC2 ZINC000095079007 193417906 /nfs/dbraw/zinc/41/79/06/193417906.db2.gz YTAAEHNMUSWVTL-UHFFFAOYSA-N 0 0 319.470 4.135 10 30 DIEERN N#Cc1cccc(Nc2ncnc3sc4c(c32)CCCC4)c1 ZINC000008149624 181530803 /nfs/dbraw/zinc/53/08/03/181530803.db2.gz CUFRELMQPICUTK-UHFFFAOYSA-N 0 0 306.394 4.185 10 30 DIEERN N#Cc1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000014471608 181954314 /nfs/dbraw/zinc/95/43/14/181954314.db2.gz BGWUFBFFXMSZDE-BQFCYCMXSA-N 0 0 317.348 4.293 10 30 DIEERN O=C(Nc1ccc2c(c1)CCC[C@@H]1O[C@H]21)OCc1ccccc1 ZINC000016083240 182031561 /nfs/dbraw/zinc/03/15/61/182031561.db2.gz MSRVJUCECUXMEP-ZWKOTPCHSA-N 0 0 309.365 4.212 10 30 DIEERN C(=NN=c1[nH]c2ccccc2s1)c1ccc2ccccc2n1 ZINC000016975288 182067405 /nfs/dbraw/zinc/06/74/05/182067405.db2.gz HNQNIPBLYYZXEC-WOJGMQOQSA-N 0 0 304.378 4.291 10 30 DIEERN Cc1cc(NC(=O)c2ccc(/N=C/c3cccs3)cc2)no1 ZINC000018051087 182090051 /nfs/dbraw/zinc/09/00/51/182090051.db2.gz OBWAJULPLWDNOM-LICLKQGHSA-N 0 0 311.366 4.047 10 30 DIEERN N#Cc1ccc2c(c1)C[C@H](c1ccc(Br)s1)O2 ZINC000022003044 182303235 /nfs/dbraw/zinc/30/32/35/182303235.db2.gz XFRUMVRIKPTAKH-LLVKDONJSA-N 0 0 306.184 4.058 10 30 DIEERN C=CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)cc1 ZINC000027524940 182475301 /nfs/dbraw/zinc/47/53/01/182475301.db2.gz WFZFOOZDNOYRJR-JLHYYAGUSA-N 0 0 324.376 4.165 10 30 DIEERN CO/N=C1\CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 ZINC000038807119 183010170 /nfs/dbraw/zinc/01/01/70/183010170.db2.gz ZLRNBJQKNLHALG-LDHZMDBFSA-N 0 0 319.489 4.392 10 30 DIEERN N#Cc1cc2c(C#N)c(-c3ccccc3)c(=O)[nH]c2cc1Cl ZINC000040567181 183103474 /nfs/dbraw/zinc/10/34/74/183103474.db2.gz QBZFIOCZBFAVKG-UHFFFAOYSA-N 0 0 305.724 4.004 10 30 DIEERN CCOC(=O)c1ccc(/N=C/c2cn(C)c3ccccc23)cc1 ZINC000040570710 183103683 /nfs/dbraw/zinc/10/36/83/183103683.db2.gz DCQDGUUIVBUIBP-UDWIEESQSA-N 0 0 306.365 4.106 10 30 DIEERN N=C1NC(=Nc2ccc(Oc3ccccc3)cc2)c2ccccc21 ZINC000040802719 183136348 /nfs/dbraw/zinc/13/63/48/183136348.db2.gz BLOQBLVYLZKBAN-UHFFFAOYSA-N 0 0 313.360 4.276 10 30 DIEERN CN(Cc1cc(Br)cs1)c1ccccc1C#N ZINC000042252624 183247763 /nfs/dbraw/zinc/24/77/63/183247763.db2.gz BMJJTQXBJCESND-UHFFFAOYSA-N 0 0 307.216 4.019 10 30 DIEERN C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(C(C)(C)C)cc1 ZINC000043744655 183384083 /nfs/dbraw/zinc/38/40/83/183384083.db2.gz PAIBXLFSCGSKDE-CQSZACIVSA-N 0 0 306.409 4.347 10 30 DIEERN CC(/C=C/C1=C(C)C(=O)CCC1(C)C)=C\C=C\C(C)=C\C(N)=O ZINC000044699679 183433861 /nfs/dbraw/zinc/43/38/61/183433861.db2.gz UZXXUVCTFYIVPT-FRCNGJHJSA-N 0 0 313.441 4.182 10 30 in-vitro DIEERN C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCc2ccccc21 ZINC000045305274 183496747 /nfs/dbraw/zinc/49/67/47/183496747.db2.gz ZUTIRCGIGBWZBG-IBGZPJMESA-N 0 0 306.409 4.072 10 30 DIEERN CCCCCCCC(=O)Nc1ccc(N)cc1Br ZINC000059322972 184136848 /nfs/dbraw/zinc/13/68/48/184136848.db2.gz QEEHWWMZLIMOHK-UHFFFAOYSA-N 0 0 313.239 4.330 10 30 DIEERN N#Cc1ncccc1CSc1ccc(Br)cc1 ZINC000061665042 184181992 /nfs/dbraw/zinc/18/19/92/184181992.db2.gz YLBXRXMGPSJOLO-UHFFFAOYSA-N 0 0 305.200 4.008 10 30 DIEERN N#Cc1cc(-c2cc(O)cc(OC(F)(F)F)c2)ccc1Cl ZINC000065344272 184325864 /nfs/dbraw/zinc/32/58/64/184325864.db2.gz CGRQPLHHXZYECR-UHFFFAOYSA-N 0 0 313.662 4.483 10 30 DIEERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]21CC ZINC000256447399 257104748 /nfs/dbraw/zinc/10/47/48/257104748.db2.gz NXKYEZGQCNWQRT-LMYCIYFBSA-N 0 0 324.464 4.306 10 30 DIEERN C[C@@H](Nc1ccc(Br)cc1C#N)c1cccc(O)c1 ZINC000132131277 332103545 /nfs/dbraw/zinc/10/35/45/332103545.db2.gz RIRSIMBDUYHUOL-SNVBAGLBSA-N 0 0 317.186 4.199 10 30 DIEERN N#Cc1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000049963317 332331149 /nfs/dbraw/zinc/33/11/49/332331149.db2.gz LENXPLFXSJBNML-UHFFFAOYSA-N 0 0 322.151 4.385 10 30 DIEERN Cc1cccc(C2(C(=O)N[C@@H]3CCC[C@H]3C#N)CCCCC2)c1 ZINC000408338653 332482201 /nfs/dbraw/zinc/48/22/01/332482201.db2.gz LYQYQJBMRARDRC-FUHWJXTLSA-N 0 0 310.441 4.005 10 30 DIEERN Cc1ccccc1[C@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000151373305 332682245 /nfs/dbraw/zinc/68/22/45/332682245.db2.gz ZTLJCQLCDAWLER-QFBILLFUSA-N 0 0 321.424 4.400 10 30 DIEERN CC(C)(C#N)c1ccc(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000176853394 332958748 /nfs/dbraw/zinc/95/87/48/332958748.db2.gz LTGIMKNMWKXKAT-GJZGRUSLSA-N 0 0 311.429 4.142 10 30 DIEERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(CC#N)c2)o1 ZINC000172667861 333065729 /nfs/dbraw/zinc/06/57/29/333065729.db2.gz DJTUSAQMJQFYBY-KRWDZBQOSA-N 0 0 308.381 4.022 10 30 DIEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000187976509 333155481 /nfs/dbraw/zinc/15/54/81/333155481.db2.gz DQFSLWIYDRJBPT-FOIQADDNSA-N 0 0 311.425 4.246 10 30 DIEERN C[C@@H](Nc1cc(C#N)ccc1C(F)(F)F)c1cccc(O)c1 ZINC000185328668 335128053 /nfs/dbraw/zinc/12/80/53/335128053.db2.gz GRUYNPQFOZUESE-SNVBAGLBSA-N 0 0 306.287 4.456 10 30 DIEERN N#C[C@H]1CCC[C@@H]1NCc1cccc(OCc2ccccc2)c1 ZINC000390788045 333393416 /nfs/dbraw/zinc/39/34/16/333393416.db2.gz 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ZINC000328858625 334760884 /nfs/dbraw/zinc/76/08/84/334760884.db2.gz DQHOVBMFRQLOIJ-QILLFSRXSA-N 0 0 322.408 4.315 10 30 DIEERN N#Cc1c(Cl)nc2cc(Br)ccc2c1Cl ZINC000521399181 335843354 /nfs/dbraw/zinc/84/33/54/335843354.db2.gz KRWIKFKWCGADQX-UHFFFAOYSA-N 0 0 301.958 4.176 10 30 DIEERN CC[C@H](NC(=O)C[C@H]1CCCCNC1=O)c1nc(C)cs1 ZINC000329270652 335958253 /nfs/dbraw/zinc/95/82/53/335958253.db2.gz HPFCTNLKIFFEFC-NEPJUHHUSA-N 0 0 309.435 4.006 10 30 DIEERN O=C(C[C@H]1CCCCNC1=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000329334493 335965409 /nfs/dbraw/zinc/96/54/09/335965409.db2.gz KSFUUEUEZBKKKP-BZUAXINKSA-N 0 0 300.402 4.036 10 30 DIEERN Cc1csc(C2(NC(=O)[C@@H]3OCC[C@@H]3C(C)C)CCCC2)n1 ZINC000329718595 336067498 /nfs/dbraw/zinc/06/74/98/336067498.db2.gz ZANAUICISBUULS-ZIAGYGMSSA-N 0 0 322.474 4.238 10 30 DIEERN Cc1nc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)sc1C ZINC000329740725 336076171 /nfs/dbraw/zinc/07/61/71/336076171.db2.gz VNFYITOXIFTIPZ-SUMWQHHRSA-N 0 0 314.410 4.088 10 30 DIEERN C[C@]1(NC(=O)C[C@@H]2CCCCNC2=O)CCCc2ccccc21 ZINC000329834486 336087694 /nfs/dbraw/zinc/08/76/94/336087694.db2.gz LSAWFHKAVQOBDT-KXBFYZLASA-N 0 0 314.429 4.341 10 30 DIEERN Cc1nc([C@@H](C)NC(=O)c2sc(CC3CC3)nc2C)cs1 ZINC000329941341 336097773 /nfs/dbraw/zinc/09/77/73/336097773.db2.gz UXXHIQSWVQGDOQ-MRVPVSSYSA-N 0 0 321.471 4.235 10 30 DIEERN CCC1(CC)Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@H]43)cc2O1 ZINC000329970713 336101323 /nfs/dbraw/zinc/10/13/23/336101323.db2.gz XIMRTUKPQTXPLS-GXTWGEPZSA-N 0 0 316.401 4.004 10 30 DIEERN Cc1ncoc1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330126815 336116016 /nfs/dbraw/zinc/11/60/16/336116016.db2.gz MNEZYUCDHVZHDW-AWEZNQCLSA-N 0 0 312.369 4.124 10 30 DIEERN O=C(N[C@H]1CCCc2c(O)cccc21)c1cccnc1C1CC1 ZINC000330145084 336117899 /nfs/dbraw/zinc/11/78/99/336117899.db2.gz KZWNKWHLFAMYEI-INIZCTEOSA-N 0 0 308.381 4.047 10 30 DIEERN CC(C)c1c(NC(=O)N2C[C@H]3CCC[C@@H]32)cnn1-c1ccccc1 ZINC000330180733 336121467 /nfs/dbraw/zinc/12/14/67/336121467.db2.gz 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ZINC000333548209 336205330 /nfs/dbraw/zinc/20/53/30/336205330.db2.gz FFHKHWYWYQYBDE-OKZBNKHCSA-N 0 0 323.440 4.006 10 30 DIEERN C[C@@H]1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)c2ccccc21 ZINC000333570692 336206195 /nfs/dbraw/zinc/20/61/95/336206195.db2.gz PRKXLAQQHMZFNC-LIVBEALHSA-N 0 0 308.425 4.215 10 30 DIEERN CS[C@H](CNc1cccc(C#N)n1)c1cccc(Cl)c1 ZINC000301296623 336299479 /nfs/dbraw/zinc/29/94/79/336299479.db2.gz XYVZYTLLSBVEKS-CQSZACIVSA-N 0 0 303.818 4.123 10 30 DIEERN N#Cc1cc(N2C[C@@H]3CC=CC[C@@H]3C2)nc2ccc(Cl)cc12 ZINC000301410157 336304874 /nfs/dbraw/zinc/30/48/74/336304874.db2.gz JPXHEQFPEGYEKV-BETUJISGSA-N 0 0 309.800 4.162 10 30 DIEERN Cc1cc(C)c2ncc(C#N)c(N3C[C@@H]4CC=CC[C@H]4C3)c2c1 ZINC000301458052 336307978 /nfs/dbraw/zinc/30/79/78/336307978.db2.gz ZHXLGZBNFHPPFI-HOTGVXAUSA-N 0 0 303.409 4.126 10 30 DIEERN CO[C@@H](C)c1nc(CN(C)c2cc(Cl)ccc2C#N)cs1 ZINC000301511659 336311459 /nfs/dbraw/zinc/31/14/59/336311459.db2.gz AUYJAFDPDHYVCG-JTQLQIEISA-N 0 0 321.833 4.012 10 30 DIEERN CO[C@@H](C)c1nc(CN(C)c2ccc(Cl)cc2C#N)cs1 ZINC000301590756 336316884 /nfs/dbraw/zinc/31/68/84/336316884.db2.gz XMXGXEPLZIHSCC-JTQLQIEISA-N 0 0 321.833 4.012 10 30 DIEERN Cc1cc(Nc2ccc(NC(=O)CC(C)C)cc2)c(C#N)c(C)n1 ZINC000301778521 336329200 /nfs/dbraw/zinc/32/92/00/336329200.db2.gz MCNWZCXSCLITNQ-UHFFFAOYSA-N 0 0 322.412 4.298 10 30 DIEERN Cc1cc(NCCCc2nc3ccccc3s2)c(C#N)c(C)n1 ZINC000301791651 336330138 /nfs/dbraw/zinc/33/01/38/336330138.db2.gz RACBDUHIYYZSBB-UHFFFAOYSA-N 0 0 322.437 4.225 10 30 DIEERN Cc1cc(Nc2ccc3c(c2)nc(C2CC2)n3C)c(C#N)c(C)n1 ZINC000301891213 336336522 /nfs/dbraw/zinc/33/65/22/336336522.db2.gz UOESCDHVJRKFDD-UHFFFAOYSA-N 0 0 317.396 4.078 10 30 DIEERN CCc1c[nH]c(Sc2cc(C#N)c3cc(Cl)ccc3n2)n1 ZINC000301951892 336339569 /nfs/dbraw/zinc/33/95/69/336339569.db2.gz IAVSVXNPUUQCSF-UHFFFAOYSA-N 0 0 314.801 4.197 10 30 DIEERN C=CCCC[C@H](C)Nc1cnn(-c2ccccc2)c(=O)c1Cl ZINC000301987066 336341611 /nfs/dbraw/zinc/34/16/11/336341611.db2.gz DEXUCTCJCLJYHD-ZDUSSCGKSA-N 0 0 317.820 4.043 10 30 DIEERN N#Cc1ccc(N2CCC[C@H](c3nccs3)C2)cc1Cl ZINC000302009287 336342877 /nfs/dbraw/zinc/34/28/77/336342877.db2.gz ABCMBMXOYAAQQM-LBPRGKRZSA-N 0 0 303.818 4.052 10 30 DIEERN Cc1ccc(Oc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000302849916 336371890 /nfs/dbraw/zinc/37/18/90/336371890.db2.gz IKGLTZBMSRKCEP-UHFFFAOYSA-N 0 0 323.283 4.255 10 30 DIEERN C=CCCCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000175656877 337146857 /nfs/dbraw/zinc/14/68/57/337146857.db2.gz QOGOAMBQQMLMBU-QGZVFWFLSA-N 0 0 323.440 4.139 10 30 DIEERN C=CC[C@H](C)NC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000176865397 337153248 /nfs/dbraw/zinc/15/32/48/337153248.db2.gz WYSDTNMTABNBBS-KBPBESRZSA-N 0 0 321.490 4.120 10 30 DIEERN Cc1c(C#N)cccc1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000178541097 337163427 /nfs/dbraw/zinc/16/34/27/337163427.db2.gz VGKADLAHBWPKNE-UHFFFAOYSA-N 0 0 317.392 4.188 10 30 DIEERN C#CCCCCC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000179943973 337172451 /nfs/dbraw/zinc/17/24/51/337172451.db2.gz DWFBITJMPFPACJ-HNNXBMFYSA-N 0 0 318.486 4.166 10 30 DIEERN C=C(C)C[C@H](C)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000184220002 337197470 /nfs/dbraw/zinc/19/74/70/337197470.db2.gz ZRBIXQQSABHBGE-AWEZNQCLSA-N 0 0 312.413 4.136 10 30 DIEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000185624190 337249663 /nfs/dbraw/zinc/24/96/63/337249663.db2.gz LAXFUOLMHRHVBU-ZMSDIMECSA-N 0 0 301.430 4.002 10 30 DIEERN N#Cc1cc(Cl)ccc1CN1CCC[C@@H](c2nccs2)C1 ZINC000186909811 337260358 /nfs/dbraw/zinc/26/03/58/337260358.db2.gz CNGWNQHKEWOPAQ-CYBMUJFWSA-N 0 0 317.845 4.048 10 30 DIEERN C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187391853 337265384 /nfs/dbraw/zinc/26/53/84/337265384.db2.gz WDLJRVQRYPMQGY-WFASDCNBSA-N 0 0 307.463 4.043 10 30 DIEERN CC(C)(C)C(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000584607783 337371815 /nfs/dbraw/zinc/37/18/15/337371815.db2.gz DRCRPNLPMOZLSW-UHFFFAOYSA-N 0 0 317.204 4.246 10 30 DIEERN C=CC[C@](Cc1ccc(C(C)C)cc1)(C(C)=O)C(=O)OCC ZINC000584596655 337374181 /nfs/dbraw/zinc/37/41/81/337374181.db2.gz FKKIOPLFEPGXDQ-IBGZPJMESA-N 0 0 302.414 4.067 10 30 DIEERN CCC[C@H](C(=O)OCC)[C@@](C#N)(CCC)c1cccc(OC)c1 ZINC000584596961 337374370 /nfs/dbraw/zinc/37/43/70/337374370.db2.gz VNGPYNPFHXMIAA-IEBWSBKVSA-N 0 0 317.429 4.236 10 30 DIEERN CC[C@H]1[C@H](c2ccc(OC(C)=O)cc2)CCC2=CC(=O)CC[C@@H]21 ZINC000584622842 337375042 /nfs/dbraw/zinc/37/50/42/337375042.db2.gz QQSMHKGSPJQZHO-UFYCRDLUSA-N 0 0 312.409 4.421 10 30 DIEERN Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(C#N)cc1 ZINC000584641876 337380057 /nfs/dbraw/zinc/38/00/57/337380057.db2.gz NRRLFCPHOIYMER-UHFFFAOYSA-N 0 0 309.756 4.404 10 30 DIEERN COC(=O)CCCCc1cccc(C#N)c1-c1cccc(OC)c1 ZINC000584643087 337380234 /nfs/dbraw/zinc/38/02/34/337380234.db2.gz OVCZYBFHIBNMAU-UHFFFAOYSA-N 0 0 323.392 4.120 10 30 DIEERN O=CCCCOP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000584651200 337380875 /nfs/dbraw/zinc/38/08/75/337380875.db2.gz XXWQGQIYHTUVRG-UHFFFAOYSA-N 0 0 320.281 4.248 10 30 DIEERN CCOP(=O)(/N=C/c1ccc(Br)cc1)OCC ZINC000584651446 337380921 /nfs/dbraw/zinc/38/09/21/337380921.db2.gz PJXLWUKBLSXYSK-UKTHLTGXSA-N 0 0 320.123 4.049 10 30 DIEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000185063225 340497738 /nfs/dbraw/zinc/49/77/38/340497738.db2.gz JVUJOIVXWLMUFY-NEPJUHHUSA-N 0 0 310.235 4.229 10 30 DIEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(F)c(-c2cccs2)c1 ZINC000061892715 340746863 /nfs/dbraw/zinc/74/68/63/340746863.db2.gz PVOMNKMQHISCRX-CJNGLKHVSA-N 0 0 300.402 4.336 10 30 DIEERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2sccc2C#N)cc1 ZINC000127162088 340845832 /nfs/dbraw/zinc/84/58/32/340845832.db2.gz KITPDCOBEKDDFU-HZPDHXFCSA-N 0 0 310.422 4.485 10 30 DIEERN C=CCN(C)C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000153876869 341580605 /nfs/dbraw/zinc/58/06/05/341580605.db2.gz JLCOUGWIDMUUIZ-QMMMGPOBSA-N 0 0 305.180 4.021 10 30 DIEERN N#CCc1ccc(NC(=O)N[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000157400278 341637454 /nfs/dbraw/zinc/63/74/54/341637454.db2.gz ISLVAWKBHZUNPE-GOSISDBHSA-N 0 0 323.371 4.091 10 30 DIEERN CN(C)c1ccc(C=[NH+][N-]c2nc(-c3ccccc3)cs2)cc1 ZINC000033398191 522136328 /nfs/dbraw/zinc/13/63/28/522136328.db2.gz ILWHJUUMBODAQK-UNOMPAQXSA-N 0 0 322.437 4.322 10 30 DIEERN Cc1cc(Sc2ccc(C(F)(F)F)cn2)c(C#N)c(C)n1 ZINC000156821489 525441654 /nfs/dbraw/zinc/44/16/54/525441654.db2.gz ORYORFBFVJHKQY-UHFFFAOYSA-N 0 0 309.316 4.135 10 30 DIEERN CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)c(Cl)c1 ZINC000120370753 534871939 /nfs/dbraw/zinc/87/19/39/534871939.db2.gz KDQOKZZBRQXHAV-UHFFFAOYSA-N 0 0 316.700 4.115 10 30 DIEERN [N-]=[N+]=Nc1ccccc1C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000015022649 526391020 /nfs/dbraw/zinc/39/10/20/526391020.db2.gz PGHMDYSHBWLCCZ-UHFFFAOYSA-N 0 0 315.716 4.322 10 30 DIEERN N#Cc1c(Cl)nsc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000267188379 526521945 /nfs/dbraw/zinc/52/19/45/526521945.db2.gz GTSINRAVCPYJPE-RQJHMYQMSA-N 0 0 309.744 4.201 10 30 DIEERN N#Cc1cc(F)ccc1Oc1ccc(Br)c(C=O)c1 ZINC000223710079 563863493 /nfs/dbraw/zinc/86/34/93/563863493.db2.gz QFRWSQLBQSPTTH-UHFFFAOYSA-N 0 0 320.117 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O=C(Nc1cccc2c1CCCC2)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000329884118 336092172 /nfs/dbraw/zinc/09/21/72/336092172.db2.gz RYXVRFRJBPIZBM-PKOBYXMFSA-N 0 0 322.408 4.326 10 30 DIEERN Cc1nc(CC2CC2)oc1C(=O)N[C@H]1CCc2c1cccc2F ZINC000329996322 336104198 /nfs/dbraw/zinc/10/41/98/336104198.db2.gz OQNIAZMJUXHJHQ-HNNXBMFYSA-N 0 0 314.360 4.067 10 30 DIEERN O=C(Nc1ccccc1NC1CCCC1)C1CCC(=O)CC1 ZINC000330109356 336114120 /nfs/dbraw/zinc/11/41/20/336114120.db2.gz PAMHVQACTLXWAZ-UHFFFAOYSA-N 0 0 300.402 4.388 10 30 DIEERN O=C(Nc1cccc(Oc2ccccn2)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000330245352 336129035 /nfs/dbraw/zinc/12/90/35/336129035.db2.gz KRLFZZSZOWUJLQ-PBHICJAKSA-N 0 0 323.396 4.294 10 30 DIEERN Cc1coc(-c2cccc(NC(=O)N3CC[C@@H]4CCC[C@H]43)c2)n1 ZINC000330250978 336129919 /nfs/dbraw/zinc/12/99/19/336129919.db2.gz NFMUWDWAKDYCCL-XJKSGUPXSA-N 0 0 311.385 4.070 10 30 DIEERN O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CC[C@@H]2CCC[C@H]21 ZINC000330254178 336130159 /nfs/dbraw/zinc/13/01/59/336130159.db2.gz 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ZINC000301407400 336304791 /nfs/dbraw/zinc/30/47/91/336304791.db2.gz VTCUQNVCJKPLEC-UHFFFAOYSA-N 0 0 324.403 4.085 10 30 DIEERN N#Cc1cc(N2C[C@@H]3CC=CC[C@H]3C2)nc2ccc(Cl)cc12 ZINC000301410159 336304829 /nfs/dbraw/zinc/30/48/29/336304829.db2.gz JPXHEQFPEGYEKV-STQMWFEESA-N 0 0 309.800 4.162 10 30 DIEERN COC(C)(C)C[C@@H](C)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301426434 336306016 /nfs/dbraw/zinc/30/60/16/336306016.db2.gz DUCOKSLZTKCVRQ-LLVKDONJSA-N 0 0 317.820 4.375 10 30 DIEERN N#Cc1cnc2ccc(Cl)cc2c1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000301431181 336306356 /nfs/dbraw/zinc/30/63/56/336306356.db2.gz QNOBGQCPVPLQHT-BETUJISGSA-N 0 0 309.800 4.162 10 30 DIEERN CCc1cnc([C@H](C)Nc2cc(C#N)nc3ccccc32)s1 ZINC000301510941 336311481 /nfs/dbraw/zinc/31/14/81/336311481.db2.gz ARRIIZRNSHJUTD-NSHDSACASA-N 0 0 308.410 4.298 10 30 DIEERN CC1(C)C[C@H](Nc2snc(Cl)c2C#N)c2ccccc2O1 ZINC000301684649 336323306 /nfs/dbraw/zinc/32/33/06/336323306.db2.gz WNMZFWMWKWPFLW-NSHDSACASA-N 0 0 319.817 4.382 10 30 DIEERN Cc1cc(N[C@@H](c2ccccc2)c2ccccn2)c(C#N)c(C)n1 ZINC000301751444 336327629 /nfs/dbraw/zinc/32/76/29/336327629.db2.gz AYGNCIMNLKGVTH-FQEVSTJZSA-N 0 0 314.392 4.167 10 30 DIEERN CO[C@@H]1CCC[C@H](Nc2c(C#N)cnc3c(C)cc(C)cc32)C1 ZINC000301761985 336328242 /nfs/dbraw/zinc/32/82/42/336328242.db2.gz GIVVDFGZGQGEKR-JKSUJKDBSA-N 0 0 309.413 4.093 10 30 DIEERN C[C@H](Nc1ccc(C#N)cc1F)c1cnn(Cc2ccccc2)c1 ZINC000301850971 336334121 /nfs/dbraw/zinc/33/41/21/336334121.db2.gz PFEXODBDHNTNKQ-AWEZNQCLSA-N 0 0 320.371 4.115 10 30 DIEERN C=CCCC[C@@H](C)Nc1cnn(-c2ccccc2)c(=O)c1Cl ZINC000301987064 336341602 /nfs/dbraw/zinc/34/16/02/336341602.db2.gz DEXUCTCJCLJYHD-CYBMUJFWSA-N 0 0 317.820 4.043 10 30 DIEERN N#Cc1cc(Cl)ccc1N1CCC[C@@H](c2nccs2)C1 ZINC000302070490 336346845 /nfs/dbraw/zinc/34/68/45/336346845.db2.gz UGPGYIXZUFBBSJ-LLVKDONJSA-N 0 0 303.818 4.052 10 30 DIEERN CCOc1ccc(CNc2cc(C#N)ccc2C(C)=O)cc1C ZINC000302100826 336348451 /nfs/dbraw/zinc/34/84/51/336348451.db2.gz LGNRUFGZMOJSKD-UHFFFAOYSA-N 0 0 308.381 4.080 10 30 DIEERN C=CC[C@@H](C)NC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000176865428 337153147 /nfs/dbraw/zinc/15/31/47/337153147.db2.gz WYSDTNMTABNBBS-KGLIPLIRSA-N 0 0 321.490 4.120 10 30 DIEERN C=CCCC[C@H](C)NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000181092793 337179780 /nfs/dbraw/zinc/17/97/80/337179780.db2.gz CZUAZBJNYQGXRJ-KBPBESRZSA-N 0 0 307.463 4.125 10 30 DIEERN C=C(C)CN(C)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000181541844 337182858 /nfs/dbraw/zinc/18/28/58/337182858.db2.gz RAHZJMJNJGKUQR-MRXNPFEDSA-N 0 0 314.429 4.041 10 30 DIEERN CCCCCCCCC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190394811 337287436 /nfs/dbraw/zinc/28/74/36/337287436.db2.gz LQQBYASCUPKGMW-UHFFFAOYSA-N 0 0 323.506 4.297 10 30 DIEERN N#Cc1c(CSc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000584598771 337370552 /nfs/dbraw/zinc/37/05/52/337370552.db2.gz UYAFNRKYYMFJGY-UHFFFAOYSA-N 0 0 304.758 4.412 10 30 DIEERN CCOC(=O)c1ccccc1C(F)(F)C(F)(F)C(F)(F)F ZINC000584603264 337371130 /nfs/dbraw/zinc/37/11/30/337371130.db2.gz UZONEQFBIPIBNM-UHFFFAOYSA-N 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306.207 4.042 10 30 DIEERN Cc1c2c(C#N)cn(C(C)(C)C)c2ncc1-c1ccccc1N ZINC000584661953 337378378 /nfs/dbraw/zinc/37/83/78/337378378.db2.gz LDHCDBFTAVHRQY-UHFFFAOYSA-N 0 0 304.397 4.221 10 30 DIEERN N#Cc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1Cl ZINC000116477712 337392699 /nfs/dbraw/zinc/39/26/99/337392699.db2.gz AMISHCYSSAUZKJ-AWEZNQCLSA-N 0 0 315.760 4.174 10 30 DIEERN C=CCC(CC=C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000129047241 340940278 /nfs/dbraw/zinc/94/02/78/340940278.db2.gz SHMVIDOYOOLVOD-HNNXBMFYSA-N 0 0 311.347 4.045 10 30 DIEERN C[C@H](NCc1ccccc1C#N)c1ccccc1Br ZINC000131060737 341057377 /nfs/dbraw/zinc/05/73/77/341057377.db2.gz FRXGIWMIBGLLIX-LBPRGKRZSA-N 0 0 315.214 4.172 10 30 DIEERN CCc1sc([C@H](C)Nc2nnc(C)c(C)c2C#N)cc1C ZINC000157782047 523079969 /nfs/dbraw/zinc/07/99/69/523079969.db2.gz JYGAUBXGDMQPCD-LBPRGKRZSA-N 0 0 300.431 4.071 10 30 DIEERN N#Cc1ccc(N[C@H](c2cccc(Cl)c2)c2ccccn2)cn1 ZINC000152984460 526666850 /nfs/dbraw/zinc/66/68/50/526666850.db2.gz LZOHAZQGHPIUHC-GOSISDBHSA-N 0 0 320.783 4.203 10 30 DIEERN N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000097957424 563543390 /nfs/dbraw/zinc/54/33/90/563543390.db2.gz GURRKOBWILKVPZ-SSDOTTSWSA-N 0 0 311.147 4.286 10 30 DIEERN C/C1=C/CC[C@]2(C)O[C@H]2C[C@@]2(C(C)C)CC[C@@](C)(O2)[C@@H](O)CC1 ZINC000257380061 560041538 /nfs/dbraw/zinc/04/15/38/560041538.db2.gz ARTVDMKLQDTMGX-ROVWVUKCSA-N 0 0 322.489 4.379 10 30 DIEERN C=C1C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000006183972 563331561 /nfs/dbraw/zinc/33/15/61/563331561.db2.gz UIMCXMMDBRLWEH-UQZPWQSVSA-N 0 0 300.442 4.045 10 30 DIEERN Cc1cc(Br)c(O)c(/C=N/c2c(C)cccc2O)c1 ZINC000000224257 563579555 /nfs/dbraw/zinc/57/95/55/563579555.db2.gz MGIJEMGDIMZNEO-CAOOACKPSA-N 0 0 320.186 4.228 10 30 DIEERN C#CCN(CC=C)C(=O)c1ccc2nc(C3CCCCC3)oc2c1 ZINC000012470261 563795947 /nfs/dbraw/zinc/79/59/47/563795947.db2.gz GHRDIJDCHNCZRT-UHFFFAOYSA-N 0 0 322.408 4.137 10 30 DIEERN CCC(C)N=Nc1nc2ccc(N3CCCC[C@@H]3C)cc2s1 ZINC000078397653 563959940 /nfs/dbraw/zinc/95/99/40/563959940.db2.gz QJRVZCHTDNZEJF-HCZVKUGISA-N 0 0 316.474 4.873 10 30 DIEERN Cc1ccc(-c2csc(N=NCc3ccc(O)cc3)n2)cc1 ZINC000033428829 563960172 /nfs/dbraw/zinc/96/01/72/563960172.db2.gz VDDSJWUNOQBTFA-ZDLGFXPLSA-N 0 0 309.394 4.270 10 30 DIEERN O=C1CC(N=Nc2nc(-c3ccccc3)cs2)c2ccccc21 ZINC000004475404 563960189 /nfs/dbraw/zinc/96/01/89/563960189.db2.gz FMTRVOUWSSNUPE-HMMYKYKNSA-N 0 0 319.389 4.213 10 30 DIEERN C[C@@H]1CC(C(=O)Nc2cc(C(C)(C)C)sc2C#N)C[C@@H](C)O1 ZINC000091207873 1037599266 /nfs/dbraw/zinc/59/92/66/1037599266.db2.gz JSICMJWGMXEBBH-GHMZBOCLSA-N 0 0 320.458 4.059 10 30 DIEERN Cc1cnc([C@H](C)NC(=O)[C@@H]2CCSc3ccccc32)o1 ZINC000329404256 1039445038 /nfs/dbraw/zinc/44/50/38/1039445038.db2.gz BKMYLBADZGGMND-WCQYABFASA-N 0 0 302.399 4.280 10 30 DIEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000332893280 1042411581 /nfs/dbraw/zinc/41/15/81/1042411581.db2.gz KCQTYLCRDVRXOA-KSZLIROESA-N 0 0 311.429 4.006 10 30 DIEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000332908174 1042412541 /nfs/dbraw/zinc/41/25/41/1042412541.db2.gz UPCLCIVCDVYHCW-CHWSQXEVSA-N 0 0 318.446 4.005 10 30 DIEERN CCS[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328675987 1043074524 /nfs/dbraw/zinc/07/45/24/1043074524.db2.gz RHGRJZZWEWAGDA-HZSPNIEDSA-N 0 0 312.479 4.296 10 30 DIEERN C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H](C)C1 ZINC000159106380 1050785861 /nfs/dbraw/zinc/78/58/61/1050785861.db2.gz LQJNANKMPUUTJZ-GJZGRUSLSA-N 0 0 313.445 4.388 10 30 DIEERN N#CC1(c2ccc(C(F)(F)F)cc2Br)CCC1 ZINC000095642951 185382892 /nfs/dbraw/zinc/38/28/92/185382892.db2.gz LJWUFKBCEAKUBX-UHFFFAOYSA-N 0 0 304.109 4.413 10 30 DIEERN CCCCCCCCCCCC[C@H](OC(C)=O)S(C)(=O)=O ZINC000169322322 197741006 /nfs/dbraw/zinc/74/10/06/197741006.db2.gz HREMCYDTXMGAAY-MRXNPFEDSA-N 0 0 320.495 4.231 10 30 DIEERN CN1c2ccccc2/C(=N\c2ccc(Cl)c(Cl)c2)C1=O ZINC000001029653 180842205 /nfs/dbraw/zinc/84/22/05/180842205.db2.gz NDMMHYGJXKYCHC-NBVRZTHBSA-N 0 0 305.164 4.091 10 30 DIEERN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000003611776 181040977 /nfs/dbraw/zinc/04/09/77/181040977.db2.gz GAAZTWADHCODSN-UHFFFAOYSA-N 0 0 308.215 4.278 10 30 DIEERN CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)c1cccnc1Cl)C2 ZINC000004276945 181091289 /nfs/dbraw/zinc/09/12/89/181091289.db2.gz LEHSMHHXKJBPFH-XOGWSAQWSA-N 0 0 306.793 4.094 10 30 DIEERN Cc1c(/N=C/c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000005378371 181236329 /nfs/dbraw/zinc/23/63/29/181236329.db2.gz FCZLEYPHYDOVNR-CXUHLZMHSA-N 0 0 319.158 4.416 10 30 DIEERN COc1ccc2ncc(C#N)c(Nc3cc(C)cc(C)c3)c2c1 ZINC000085345636 192492634 /nfs/dbraw/zinc/49/26/34/192492634.db2.gz MKWQMGYVUKMZFB-UHFFFAOYSA-N 0 0 303.365 4.476 10 30 DIEERN CC1(C)CCc2c(O)c(C(=O)/C=C/c3ccc(O)cc3)ccc2O1 ZINC000005963645 181301322 /nfs/dbraw/zinc/30/13/22/181301322.db2.gz UDSAJERKQRQHJR-WEVVVXLNSA-N 0 0 324.376 4.098 10 30 biogenic,in-vitro DIEERN COC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000006067474 181309908 /nfs/dbraw/zinc/30/99/08/181309908.db2.gz JYMVNNNTLDUEBG-PFIYWFKMSA-N 0 0 316.441 4.062 10 30 DIEERN C=CCN(CC=C)C(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006303561 181327870 /nfs/dbraw/zinc/32/78/70/181327870.db2.gz KOQDDMVFELNSEA-JZJYNLBNSA-N 0 0 303.405 4.428 10 30 DIEERN COc1ccc(C(=O)O/N=C2\C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 ZINC000006394810 181337249 /nfs/dbraw/zinc/33/72/49/181337249.db2.gz VPEUPGTVEOGMCO-HHGQUUIGSA-N 0 0 301.386 4.054 10 30 DIEERN C=CCOc1ccccc1NC(=O)c1ccccc1OCCC ZINC000009815799 181641655 /nfs/dbraw/zinc/64/16/55/181641655.db2.gz VNRPQJNPQMQLHD-UHFFFAOYSA-N 0 0 311.381 4.293 10 30 DIEERN C=C(C)COc1ccccc1NC(=O)c1ccc(OCC)cc1 ZINC000009822830 181642388 /nfs/dbraw/zinc/64/23/88/181642388.db2.gz ZIIDFLBOYPYNFD-UHFFFAOYSA-N 0 0 311.381 4.293 10 30 DIEERN CN(C)c1ccc([C@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000013643521 181872870 /nfs/dbraw/zinc/87/28/70/181872870.db2.gz IMTVBLRVFJHKTE-CMKODMSKSA-N 0 0 315.420 4.451 10 30 DIEERN COc1cc([C@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@@H]32)ccc1O ZINC000014458930 181953151 /nfs/dbraw/zinc/95/31/51/181953151.db2.gz CKUOZYRSNALJOO-AUSJPIAWSA-N 0 0 318.376 4.099 10 30 DIEERN N#Cc1ccc(NC(=O)CCSc2ccccc2Cl)cc1 ZINC000015542115 182005886 /nfs/dbraw/zinc/00/58/86/182005886.db2.gz ZZYBHUCVKGOJGM-UHFFFAOYSA-N 0 0 316.813 4.333 10 30 DIEERN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000135045879 335019733 /nfs/dbraw/zinc/01/97/33/335019733.db2.gz JCJYYHLYYHRLQS-DYVFJYSZSA-N 0 0 306.475 4.014 10 30 DIEERN N#CCc1ccc(OCc2cccc(Br)c2)cc1 ZINC000019477580 182124359 /nfs/dbraw/zinc/12/43/59/182124359.db2.gz MFZJUPQJFGQADG-UHFFFAOYSA-N 0 0 302.171 4.094 10 30 DIEERN C[C@@H](Nc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000019922049 182164245 /nfs/dbraw/zinc/16/42/45/182164245.db2.gz DYNFTVRKKQFUBU-LLVKDONJSA-N 0 0 301.187 4.494 10 30 DIEERN CCn1nccc1/C(C)=N/N=C(c1ccccc1)c1ccccc1 ZINC000020214083 182198249 /nfs/dbraw/zinc/19/82/49/182198249.db2.gz SCSJHSHYCBBEKQ-CJLVFECKSA-N 0 0 316.408 4.165 10 30 DIEERN C=C(C)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000021142246 182266445 /nfs/dbraw/zinc/26/64/45/182266445.db2.gz KMHDIWWDVVIHRJ-UHFFFAOYSA-N 0 0 311.772 4.398 10 30 DIEERN C[C@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000032266624 182639131 /nfs/dbraw/zinc/63/91/31/182639131.db2.gz KROXBRXHRBCDNO-CPXOHDAPSA-N 0 0 302.458 4.125 10 30 DIEERN Cc1ccc(NC(=S)N/N=C\c2ccc(C(C)C)cc2)cc1 ZINC000033320072 182703860 /nfs/dbraw/zinc/70/38/60/182703860.db2.gz QMGVUGOHDBKWDX-UNOMPAQXSA-N 0 0 311.454 4.439 10 30 DIEERN N#C[C@H](Nc1cccc(F)c1)c1cc(Br)ccc1F ZINC000037936975 182939964 /nfs/dbraw/zinc/93/99/64/182939964.db2.gz FNPASFAXULBPQK-AWEZNQCLSA-N 0 0 323.140 4.404 10 30 DIEERN Cc1ccccc1[C@H](C#N)Nc1cccc(Br)c1 ZINC000037937512 182939984 /nfs/dbraw/zinc/93/99/84/182939984.db2.gz DNRMKFPEUYAXGM-HNNXBMFYSA-N 0 0 301.187 4.434 10 30 DIEERN N#C[C@H](Nc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000037936304 182940011 /nfs/dbraw/zinc/94/00/11/182940011.db2.gz WZSXYQNRMIZIPJ-AWEZNQCLSA-N 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4.255 10 30 DIEERN O=C(/C=C/c1cccs1)c1cccc(NC(=O)c2ccco2)c1 ZINC000059432285 184138376 /nfs/dbraw/zinc/13/83/76/184138376.db2.gz MZBHKDUAVHVLSN-CMDGGOBGSA-N 0 0 323.373 4.490 10 30 DIEERN Cc1cc(C)cc(C/N=C2/NC(=O)/C(=C\c3ccccc3)S2)c1 ZINC000059432539 184138673 /nfs/dbraw/zinc/13/86/73/184138673.db2.gz PYAOIRXGIIVORU-GZTJUZNOSA-N 0 0 322.433 4.064 10 30 DIEERN C=CC[C@H](C)c1nn(-c2ccccc2Br)cc1C=O ZINC000062961382 184262662 /nfs/dbraw/zinc/26/26/62/184262662.db2.gz AMOMVBZHBOBWFG-NSHDSACASA-N 0 0 319.202 4.127 10 30 DIEERN N#Cc1cc(-c2cc(O)cc(Br)c2)ccc1Cl ZINC000065343881 184325675 /nfs/dbraw/zinc/32/56/75/184325675.db2.gz BZIHHYWXNJHIKR-UHFFFAOYSA-N 0 0 308.562 4.347 10 30 DIEERN O=C(C=CNc1ccccc1)c1ccc(Oc2ncccn2)cc1 ZINC000100435955 256563714 /nfs/dbraw/zinc/56/37/14/256563714.db2.gz NXYRSULAPVFPOB-SDNWHVSQSA-N 0 0 317.348 4.077 10 30 DIEERN CSC(=Nc1ccccc1)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000254822239 256617633 /nfs/dbraw/zinc/61/76/33/256617633.db2.gz LFJIDCKLUSEENH-ZDUSSCGKSA-N 0 0 306.394 4.263 10 30 DIEERN Cc1oc(C)c(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)c1C ZINC000328609983 257264782 /nfs/dbraw/zinc/26/47/82/257264782.db2.gz GHWLTLIUXNBFHK-SJLPKXTDSA-N 0 0 313.397 4.287 10 30 DIEERN CC[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]2(C)[C@H]1O ZINC000301054657 262516440 /nfs/dbraw/zinc/51/64/40/262516440.db2.gz FCKLFGKATYPJPG-BJKQHSPDSA-N 0 0 302.458 4.125 10 30 DIEERN CC(C)(C#N)c1ccc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000176853379 332958847 /nfs/dbraw/zinc/95/88/47/332958847.db2.gz LTGIMKNMWKXKAT-HUUCEWRRSA-N 0 0 311.429 4.142 10 30 DIEERN C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000182143960 333176411 /nfs/dbraw/zinc/17/64/11/333176411.db2.gz JRELXNCFBJXDIN-BMFZPTHFSA-N 0 0 312.413 4.132 10 30 DIEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc(OCc2ccccc2)c1 ZINC000390788040 333393493 /nfs/dbraw/zinc/39/34/93/333393493.db2.gz UQDGQTSNLBCUPO-ICSRJNTNSA-N 0 0 306.409 4.047 10 30 DIEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000185560463 335141522 /nfs/dbraw/zinc/14/15/22/335141522.db2.gz YLWOSLBEECETBG-KBPBESRZSA-N 0 0 306.475 4.014 10 30 DIEERN Cc1csc([C@H](NC(=O)C[C@@H]2CCCCC(=O)N2)C2CC2)n1 ZINC000328678520 334748536 /nfs/dbraw/zinc/74/85/36/334748536.db2.gz SWGSXKTZXCIINO-SWLSCSKDSA-N 0 0 321.446 4.148 10 30 DIEERN CCc1nc([C@H](C)NC(=O)C[C@H]2CCCCC(=O)N2)cs1 ZINC000328679471 334748764 /nfs/dbraw/zinc/74/87/64/334748764.db2.gz UCBAEAZERSKMPB-WDEREUQCSA-N 0 0 309.435 4.012 10 30 DIEERN O=C(C[C@@H]1CCCCNC1=O)N[C@@H]1CCSc2ccccc21 ZINC000328764822 334752856 /nfs/dbraw/zinc/75/28/56/334752856.db2.gz GMLWTRYKQCBUDH-GXTWGEPZSA-N 0 0 318.442 4.327 10 30 DIEERN Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cnc(C)nc1C1CC1 ZINC000328776639 334753552 /nfs/dbraw/zinc/75/35/52/334753552.db2.gz LENOHMGCTVPUNV-HZPDHXFCSA-N 0 0 307.397 4.363 10 30 DIEERN O=C(C[C@@H]1CCCCNC1=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000328774619 334753644 /nfs/dbraw/zinc/75/36/44/334753644.db2.gz KILAMAWJHKLTDZ-WFASDCNBSA-N 0 0 320.820 4.431 10 30 DIEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1CCCc2c(O)cccc21 ZINC000328814818 334755356 /nfs/dbraw/zinc/75/53/56/334755356.db2.gz NMMAULQJIRRWJL-SWLSCSKDSA-N 0 0 316.401 4.015 10 30 DIEERN N#Cc1cccc(N[C@@H]2CC3(CCCC3)Oc3ccccc32)n1 ZINC000328780277 334756429 /nfs/dbraw/zinc/75/64/29/334756429.db2.gz MIURGWNAHQPRMG-MRXNPFEDSA-N 0 0 305.381 4.202 10 30 DIEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000328832391 334758730 /nfs/dbraw/zinc/75/87/30/334758730.db2.gz RPEFJQXPWGYPNF-LSDHHAIUSA-N 0 0 322.449 4.114 10 30 DIEERN Cc1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)n1C1CC1 ZINC000329159854 335946973 /nfs/dbraw/zinc/94/69/73/335946973.db2.gz XTTQNWQBENATRA-IAGOWNOFSA-N 0 0 324.428 4.437 10 30 DIEERN C[C@H](NC(=O)C[C@@H]1CCCCNC1=O)C(C)(C)c1ccccc1 ZINC000329371990 335969092 /nfs/dbraw/zinc/96/90/92/335969092.db2.gz JEPRDNXKIWIZSZ-GJZGRUSLSA-N 0 0 316.445 4.456 10 30 DIEERN O=C(C[C@@H]1CCCCNC1=O)N[C@H]1CCCc2sccc21 ZINC000329477905 335981356 /nfs/dbraw/zinc/98/13/56/335981356.db2.gz 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336075251 /nfs/dbraw/zinc/07/52/51/336075251.db2.gz KNBWPPKDQIDUFF-SNRMKQJTSA-N 0 0 323.440 4.135 10 30 DIEERN CC(C)(C)c1nnc(CNC(=O)[C@H]2CCc3ccccc32)s1 ZINC000329839276 336088259 /nfs/dbraw/zinc/08/82/59/336088259.db2.gz JCXVUYDANCOMLB-ZDUSSCGKSA-N 0 0 315.442 4.022 10 30 DIEERN O=C(C[C@@H]1CCCCNC1=O)N[C@H](c1cccs1)C1CC1 ZINC000329844436 336088602 /nfs/dbraw/zinc/08/86/02/336088602.db2.gz PXWMTEOHUZWFHX-WFASDCNBSA-N 0 0 306.431 4.302 10 30 DIEERN Cc1cnc([C@H](C)NC(=O)N2CCCC3(CCCCC3)CC2)o1 ZINC000329889243 336092565 /nfs/dbraw/zinc/09/25/65/336092565.db2.gz ZXMBEMMEFYACBL-HNNXBMFYSA-N 0 0 319.449 4.394 10 30 DIEERN CCC1(CC)Oc2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]43)cc2O1 ZINC000329970714 336101235 /nfs/dbraw/zinc/10/12/35/336101235.db2.gz XIMRTUKPQTXPLS-JSGCOSHPSA-N 0 0 316.401 4.004 10 30 DIEERN CCC1(CC)Oc2ccc(NC(=O)N3C[C@H]4CCC[C@@H]43)cc2O1 ZINC000329970715 336101369 /nfs/dbraw/zinc/10/13/69/336101369.db2.gz XIMRTUKPQTXPLS-OCCSQVGLSA-N 0 0 316.401 4.004 10 30 DIEERN Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CCc2c1cccc2F ZINC000329996323 336104211 /nfs/dbraw/zinc/10/42/11/336104211.db2.gz OQNIAZMJUXHJHQ-OAHLLOKOSA-N 0 0 314.360 4.067 10 30 DIEERN Cc1nc(-c2ccccc2)c(C(=O)N[C@@H]2CCC[C@@H]2C#N)s1 ZINC000330052419 336109390 /nfs/dbraw/zinc/10/93/90/336109390.db2.gz PACOEKBUCKLPHJ-ZIAGYGMSSA-N 0 0 311.410 4.115 10 30 DIEERN C[C@]1(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CCCNC1=O ZINC000330065622 336110738 /nfs/dbraw/zinc/11/07/38/336110738.db2.gz SDWWUCGOTBVZHV-JDFRZJQESA-N 0 0 320.820 4.299 10 30 DIEERN O=C(Nc1ccc2nc(C3CC3)oc2c1)N1CC[C@@H]2CCC[C@H]21 ZINC000330225363 336126888 /nfs/dbraw/zinc/12/68/88/336126888.db2.gz BBEDCLFHJWXQAR-XHDPSFHLSA-N 0 0 311.385 4.125 10 30 DIEERN O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CC[C@H]2CCC[C@H]21 ZINC000330254174 336130060 /nfs/dbraw/zinc/13/00/60/336130060.db2.gz PBLZVYZEYDCVTO-IAQYHMDHSA-N 0 0 311.385 4.125 10 30 DIEERN Cc1ccc(-c2ncco2)cc1NC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000330264264 336131389 /nfs/dbraw/zinc/13/13/89/336131389.db2.gz 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/nfs/dbraw/zinc/29/97/91/336299791.db2.gz USOYRHKCTIHNMV-UHFFFAOYSA-N 0 0 307.831 4.023 10 30 DIEERN Cc1cc(Sc2nc(-c3ccc(F)cc3)c[nH]2)c(C#N)c(C)n1 ZINC000301754885 336327929 /nfs/dbraw/zinc/32/79/29/336327929.db2.gz CTLFBHDCFHBOBH-UHFFFAOYSA-N 0 0 324.384 4.251 10 30 DIEERN Cc1cc(NCc2ccc(COC(C)C)cc2)c(C#N)c(C)n1 ZINC000301774394 336328922 /nfs/dbraw/zinc/32/89/22/336328922.db2.gz KRUCKVRAPWVDQF-UHFFFAOYSA-N 0 0 309.413 4.107 10 30 DIEERN C[C@@H](Nc1ccc(C#N)cc1F)c1cnn(Cc2ccccc2)c1 ZINC000301850972 336334226 /nfs/dbraw/zinc/33/42/26/336334226.db2.gz PFEXODBDHNTNKQ-CQSZACIVSA-N 0 0 320.371 4.115 10 30 DIEERN C=CCc1ccccc1Oc1ncnc2nc(SC)sc21 ZINC000301935207 336338803 /nfs/dbraw/zinc/33/88/03/336338803.db2.gz SQBGHVSYBHQQIX-UHFFFAOYSA-N 0 0 315.423 4.329 10 30 DIEERN CCOc1cc(Oc2cccc(Cl)c2C#N)ccc1[N+](=O)[O-] ZINC000301960532 336340110 /nfs/dbraw/zinc/34/01/10/336340110.db2.gz QCLINSMXNIAUGZ-UHFFFAOYSA-N 0 0 318.716 4.311 10 30 DIEERN CN(c1snc(Cl)c1C#N)[C@@H](c1ccc(F)cc1)C1CC1 ZINC000301969103 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C=CCC1(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)CCC1 ZINC000187849964 337268482 /nfs/dbraw/zinc/26/84/82/337268482.db2.gz NZWQKPHWLJKRKS-RDJZCZTQSA-N 0 0 313.441 4.146 10 30 DIEERN C=CCC1(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)CCC1 ZINC000187849993 337268526 /nfs/dbraw/zinc/26/85/26/337268526.db2.gz NZWQKPHWLJKRKS-NVXWUHKLSA-N 0 0 313.441 4.146 10 30 DIEERN Cc1nc([C@@H]2CCCN2CC#Cc2ccc(Cl)cc2)cs1 ZINC000189749121 337281431 /nfs/dbraw/zinc/28/14/31/337281431.db2.gz ZBTKZFSHOAAWDH-KRWDZBQOSA-N 0 0 316.857 4.294 10 30 DIEERN CCN(Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000584599589 337370772 /nfs/dbraw/zinc/37/07/72/337370772.db2.gz JMGAITIDCZCMKF-UHFFFAOYSA-N 0 0 315.760 4.146 10 30 DIEERN Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1C=O ZINC000584591615 337373491 /nfs/dbraw/zinc/37/34/91/337373491.db2.gz BQOVJLHKWNTWAG-UHFFFAOYSA-N 0 0 302.189 4.405 10 30 DIEERN Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccc(C#N)cc2)o1 ZINC000127677053 337421948 /nfs/dbraw/zinc/42/19/48/337421948.db2.gz 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