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/nfs/dbraw/zinc/22/22/69/136222269.db2.gz AWTAMPPIKIRJJE-SRLDTDKHSA-N 0 1 237.347 1.253 40 30 BDEBMN Cn1ccnc1C/C(=N/O)c1ccccc1 ZINC000009318747 187244862 /nfs/dbraw/zinc/24/48/62/187244862.db2.gz XWYIBTNAXPAQLG-KAMYIIQDSA-N 0 1 215.256 1.841 40 30 BDEBMN Cn1cc[nH+]c1C/C(=N/[O-])c1ccccc1 ZINC000009318747 187244864 /nfs/dbraw/zinc/24/48/64/187244864.db2.gz XWYIBTNAXPAQLG-KAMYIIQDSA-N 0 1 215.256 1.841 40 30 BDEBMN C=CCOc1ccccc1CN=Nc1nn[nH]n1 ZINC000006293505 187303197 /nfs/dbraw/zinc/30/31/97/187303197.db2.gz YVGOUWFTZSCQDK-XYOKQWHBSA-N 0 1 244.258 1.211 40 30 BDEBMN C#CC[N@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000001605430 187364149 /nfs/dbraw/zinc/36/41/49/187364149.db2.gz FXMAOWHLQCZHFM-UHFFFAOYSA-N 0 1 249.310 1.777 40 30 BDEBMN C#CCN(C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000001605430 187364151 /nfs/dbraw/zinc/36/41/51/187364151.db2.gz FXMAOWHLQCZHFM-UHFFFAOYSA-N 0 1 249.310 1.777 40 30 BDEBMN C=CCn1ncc(CN2CCC[C@H](O)C2)c1C ZINC000072397842 188047172 /nfs/dbraw/zinc/04/71/72/188047172.db2.gz CFYDHZIKRDIQKJ-ZDUSSCGKSA-N 0 1 235.331 1.334 40 30 BDEBMN N#CCc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000053994825 181049577 /nfs/dbraw/zinc/04/95/77/181049577.db2.gz CUHSBSIHSUVNOK-UHFFFAOYSA-N 0 1 229.199 1.446 40 30 BDEBMN N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000008699125 181103753 /nfs/dbraw/zinc/10/37/53/181103753.db2.gz GNTPJBTYWLKYLW-ZDUSSCGKSA-N 0 1 244.294 1.997 40 30 BDEBMN CC1S/C(=N\N=C/c2cccs2)NC1=O ZINC000011536051 384289122 /nfs/dbraw/zinc/28/91/22/384289122.db2.gz JLEITFULSIRKPA-XJTUIXCYSA-N 0 1 239.325 1.690 40 30 BDEBMN CCCn1c(C#N)cc(N)c1N1CCN(C)CC1 ZINC000225868955 384457193 /nfs/dbraw/zinc/45/71/93/384457193.db2.gz JLQPSDVJGWRPMF-UHFFFAOYSA-N 0 1 247.346 1.104 40 30 BDEBMN CN(C)CCNC=C1C(=O)c2ccccc2C1=O ZINC000101463395 384672340 /nfs/dbraw/zinc/67/23/40/384672340.db2.gz LNSACEWWHQHMDF-UHFFFAOYSA-N 0 1 244.294 1.101 40 30 BDEBMN Cc1nc(N2CCN(C(C)C)CC2)ccc1C#N ZINC000072224744 132396760 /nfs/dbraw/zinc/39/67/60/132396760.db2.gz WWKZRHDSTMICMU-UHFFFAOYSA-N 0 1 244.342 1.792 40 30 BDEBMN C=CCN1CCO[C@H](CCc2ccnc(N)c2)C1 ZINC000257208038 166358870 /nfs/dbraw/zinc/35/88/70/166358870.db2.gz BKJWHUKWYBRIMO-CYBMUJFWSA-N 0 1 247.342 1.483 40 30 BDEBMN COc1ccc(NCC2C(=O)ON=C2C)cc1 ZINC000103700544 175151604 /nfs/dbraw/zinc/15/16/04/175151604.db2.gz WGHLNVRVQRXLGF-LLVKDONJSA-N 0 1 234.255 1.656 40 30 BDEBMN COc1cc(Cl)cc(/C=N/O)c1O ZINC000100330090 398248849 /nfs/dbraw/zinc/24/88/49/398248849.db2.gz WVUJKHCZTUDPSG-ONNFQVAWSA-N 0 1 201.609 1.862 40 30 BDEBMN CCN1CCN(c2cc(C)c(C#N)cn2)CC1 ZINC000072223621 259321483 /nfs/dbraw/zinc/32/14/83/259321483.db2.gz IOYCJOYTWANOQG-UHFFFAOYSA-N 0 1 230.315 1.404 40 30 BDEBMN O=c1ccccn1C/C(=N/O)c1ccccc1 ZINC000006514102 183001898 /nfs/dbraw/zinc/00/18/98/183001898.db2.gz NEBICYDVBPHIOZ-OWBHPGMISA-N 0 1 228.251 1.727 40 30 BDEBMN O/N=C\c1cc(Br)ccc1O ZINC000100113487 384616638 /nfs/dbraw/zinc/61/66/38/384616638.db2.gz YSDJVLAQRCCLPB-WTKPLQERSA-N 0 1 216.034 1.963 40 30 BDEBMN C=CCNCc1ccc(OC)c(OC)c1OC ZINC000008473501 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