smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(CN=Nc2nn[nH]n2)cc(Cl)c1OCC ZINC000006350953 181333418 /nfs/dbraw/zinc/33/34/18/181333418.db2.gz LMTFPJQQEWHIKV-VGOFMYFVSA-N 0 1 310.745 2.097 40 30 DEEBMN CCOC(=O)C(Br)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000039268974 183015838 /nfs/dbraw/zinc/01/58/38/183015838.db2.gz YMSGGNAAHDVJMH-LCYFTJDESA-N 0 1 316.111 2.278 40 30 DEEBMN COc1ccccc1[C@@H]1CC(=O)CC(=Nc2nonc2N)C1 ZINC000102331032 402165240 /nfs/dbraw/zinc/16/52/40/402165240.db2.gz KNEVDFXAKAQFSD-VIFPVBQESA-N 0 1 300.318 2.103 40 30 DEEBMN C=CCN1CCC[C@@]12CCCN(S(=O)(=O)c1ccccc1)C2 ZINC000096214799 402070433 /nfs/dbraw/zinc/07/04/33/402070433.db2.gz DNGAEBYMUMXAPF-KRWDZBQOSA-N 0 1 320.458 2.492 40 30 DEEBMN N#Cc1cccc(OC[C@@H]2CO[C@@H]3CN(Cc4ccc[nH]4)C[C@H]23)c1 ZINC000096218971 402071505 /nfs/dbraw/zinc/07/15/05/402071505.db2.gz HLFUUOGXJHACOP-ATZDWAIDSA-N 0 1 323.396 2.412 40 30 DEEBMN Cc1cnn(-c2cc(N=NCc3cccc([N+](=O)[O-])c3)ncn2)c1 ZINC000005509869 181251529 /nfs/dbraw/zinc/25/15/29/181251529.db2.gz DBMDPJBFPOHXIP-QGMBQPNBSA-N 0 1 323.316 2.325 40 30 DEEBMN C=CCN1C(=O)COC2(CCN(Cc3ccoc3)CC2)[C@@H]1C ZINC000096062233 402055282 /nfs/dbraw/zinc/05/52/82/402055282.db2.gz LZVBJHZXCGDFSX-AWEZNQCLSA-N 0 1 304.390 2.048 40 30 DEEBMN Nc1nonc1OCC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000100426568 402141277 /nfs/dbraw/zinc/14/12/77/402141277.db2.gz CICWCBNCBHDOAI-PJQLUOCWSA-N 0 1 317.132 2.162 40 30 DEEBMN O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)C([N+](=O)[O-])O2 ZINC000100929291 402142991 /nfs/dbraw/zinc/14/29/91/402142991.db2.gz BPRFNHWBTAOYBS-OCCSQVGLSA-N 0 1 304.258 2.319 40 30 DEEBMN N#Cc1ccc(OC[C@@H]2Cn3cncc3CN(CC3CC3)C2)nc1 ZINC000096209167 402070564 /nfs/dbraw/zinc/07/05/64/402070564.db2.gz RLLNHWCOVGLYMV-INIZCTEOSA-N 0 1 323.400 2.071 40 30 DEEBMN O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)C([N+](=O)[O-])O2 ZINC000100929303 402142736 /nfs/dbraw/zinc/14/27/36/402142736.db2.gz PJFCXKYEJOIGMV-JSGCOSHPSA-N 0 1 304.258 2.319 40 30 DEEBMN CCC[C@@]1(C)C(=O)NCCN1CCCC1(C#N)CCOCC1 ZINC000330405842 404651012 /nfs/dbraw/zinc/65/10/12/404651012.db2.gz WKMYBVNTPPKDOS-INIZCTEOSA-N 0 1 307.438 2.078 40 30 DEEBMN O=C1[C@H]2[C@H](C(=O)N1O)[C@@]1(Cl)C[C@]2(Cl)C(Cl)=C1Cl ZINC000004566982 304719976 /nfs/dbraw/zinc/71/99/76/304719976.db2.gz CILOQPOHAAIBQV-BNFJTBOVSA-N 0 1 316.955 2.039 40 30 DEEBMN C=CCN1CC2(CCN(Cc3ccc(F)cc3)CC2)OCC1=O ZINC000096201369 402068984 /nfs/dbraw/zinc/06/89/84/402068984.db2.gz CFVPJPMQEMGIPO-UHFFFAOYSA-N 0 1 318.392 2.205 40 30 DEEBMN Cc1[nH]ncc1CNC(=O)N1CCC(c2nccs2)CC1 ZINC000328870829 404165840 /nfs/dbraw/zinc/16/58/40/404165840.db2.gz PQXHFJRUCHWHLZ-UHFFFAOYSA-N 0 1 305.407 2.468 40 30 DEEBMN C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccc(F)c1 ZINC000008300025 539328008 /nfs/dbraw/zinc/32/80/08/539328008.db2.gz CPJJQOZSJWQQOG-KCQAQPDRSA-N 0 1 324.421 2.000 40 30 biogenic,in-vitro DEEBMN C#CCOC(=O)c1cc(-n2cccc2)ccc1N1CCN(C)CC1 ZINC000226278244 201772147 /nfs/dbraw/zinc/77/21/47/201772147.db2.gz OUXQIPVBASGPSK-UHFFFAOYSA-N 0 1 323.396 2.019 40 30 DEEBMN N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4ccoc4)C3)C2)n1 ZINC000096047657 402050615 /nfs/dbraw/zinc/05/06/15/402050615.db2.gz JXBJOFBJROCECP-FUHWJXTLSA-N 0 1 324.384 2.392 40 30 DEEBMN O=c1[n-]c(C(F)(F)F)nc(C(F)(F)F)c1-[n+]1ccccc1 ZINC000006567690 401731375 /nfs/dbraw/zinc/73/13/75/401731375.db2.gz DMBZOABYVNKHIG-LURJTMIESA-N 0 1 310.177 2.020 40 30 DEEBMN C=CC(C)(C)c1[nH]c2ccccc2c1C=c1[nH]c(=O)c(=C)[nH]c1=O ZINC000253534716 563814694 /nfs/dbraw/zinc/81/46/94/563814694.db2.gz GVVVEKSVCAGUTP-UHFFFAOYSA-N 0 1 321.380 2.072 40 30 biogenic,in-vitro DEEBMN Oc1ccc(C=NN=c2[nH]c3ccccc3n3cnnc23)c(O)c1 ZINC000086069530 401920718 /nfs/dbraw/zinc/92/07/18/401920718.db2.gz FHFSGLBBPWHTEL-IUXPMGMMSA-N 0 1 320.312 2.135 40 30 DEEBMN CCN1CCN(c2c(N)cc(C#N)n2Cc2ccccc2)CC1 ZINC000225869769 402325006 /nfs/dbraw/zinc/32/50/06/402325006.db2.gz NZVAZJXVKDUBLS-UHFFFAOYSA-N 0 1 309.417 2.132 40 30 DEEBMN N=C(NCCc1ccc(F)cc1)Nc1ncccc1[N+](=O)[O-] ZINC000225240243 402315829 /nfs/dbraw/zinc/31/58/29/402315829.db2.gz MWVFRKRVHJPXKO-UHFFFAOYSA-N 0 1 303.297 2.098 40 30 DEEBMN N#CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccn1 ZINC000018284405 182101349 /nfs/dbraw/zinc/10/13/49/182101349.db2.gz GQPITIITUZJBSY-OAHLLOKOSA-N 0 1 319.320 2.183 40 30 DEEBMN O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)C([N+](=O)[O-])O2 ZINC000100929301 280250542 /nfs/dbraw/zinc/25/05/42/280250542.db2.gz PJFCXKYEJOIGMV-GXTWGEPZSA-N 0 1 304.258 2.319 40 30 DEEBMN N#Cc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000005681513 181271446 /nfs/dbraw/zinc/27/14/46/181271446.db2.gz ZHOUFDFPVQDVNN-UHFFFAOYSA-N 0 1 303.299 2.267 40 30 DEEBMN C=CCN1C(=O)CCC12CCN(Cc1c(C)noc1C)CC2 ZINC000096228088 193592004 /nfs/dbraw/zinc/59/20/04/193592004.db2.gz BJSGUYDFYOYNFJ-UHFFFAOYSA-N 0 1 303.406 2.434 40 30 DEEBMN C[C@@H]1Cc2ccccc2N1C1=NC2(CCCC2)C(C#N)C(=O)N1 ZINC000014608376 401812921 /nfs/dbraw/zinc/81/29/21/401812921.db2.gz RXONWEYRZJIXMA-OCCSQVGLSA-N 0 1 308.385 2.376 40 30 DEEBMN O=[N+]([O-])c1ccc(C=Nn2c(C(F)(F)F)n[nH]c2=S)cc1 ZINC000001091204 401704435 /nfs/dbraw/zinc/70/44/35/401704435.db2.gz OPJYFYUOWDDIBD-RZNTYIFUSA-N 0 1 317.252 2.376 40 30 DEEBMN COc1ccc([C@@H]2CC(=O)CC(=Nc3nonc3N)C2)cc1 ZINC000100903283 402143007 /nfs/dbraw/zinc/14/30/07/402143007.db2.gz GJKBCLTYSFQBPH-JTQLQIEISA-N 0 1 300.318 2.103 40 30 DEEBMN COc1ccc(C=NNc2ccc([N+](=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000408751218 227247038 /nfs/dbraw/zinc/24/70/38/227247038.db2.gz XUGYNHCTYCZFBX-CHHVJCJISA-N 0 1 317.261 2.353 40 30 DEEBMN C=CCN1CCC2(CCN(Cc3cccnc3OC)CC2)C1=O ZINC000096157785 402063343 /nfs/dbraw/zinc/06/33/43/402063343.db2.gz LAZVNFVMAPQXDO-UHFFFAOYSA-N 0 1 315.417 2.091 40 30 DEEBMN COc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1O ZINC000071255860 402271346 /nfs/dbraw/zinc/27/13/46/402271346.db2.gz CMFGBLHCLKLQIG-DUXPYHPUSA-N 0 1 302.282 2.414 40 30 DEEBMN O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)C([N+](=O)[O-])O2 ZINC000100929289 280250245 /nfs/dbraw/zinc/25/02/45/280250245.db2.gz BPRFNHWBTAOYBS-JSGCOSHPSA-N 0 1 304.258 2.319 40 30 DEEBMN O/N=C1\[C@H](N2CCN(c3ccc(O)cc3)CC2)[C@@H]2CC[C@H]1C2 ZINC000100964799 295390527 /nfs/dbraw/zinc/39/05/27/295390527.db2.gz YQVVRRCDYXUSPE-ZXYMDOCFSA-N 0 1 301.390 2.143 40 30 DEEBMN CC(O)=C(N=Nc1cccc(O)c1)S(=O)(=O)c1ccccc1 ZINC000005726015 401731073 /nfs/dbraw/zinc/73/10/73/401731073.db2.gz ZCRNWFXHZHIFCV-BMRADRMJSA-N 0 1 318.354 2.181 40 30 DEEBMN S=C(N/N=C/c1ccc(Cl)cc1)N[C@@H]1CN2CCC1CC2 ZINC000001657181 401708805 /nfs/dbraw/zinc/70/88/05/401708805.db2.gz UFZSEFGPZSHKEC-IREQLNLFSA-N 0 1 322.865 2.232 40 30 DEEBMN CCc1n[nH]c(=S)n1N=Cc1c(OC)cc(OC)cc1OC ZINC000008315206 401751465 /nfs/dbraw/zinc/75/14/65/401751465.db2.gz BCVSYZLCTQAHQL-OVCLIPMQSA-N 0 1 322.390 2.411 40 30 DEEBMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNc1ccccc1 ZINC000016451078 401819709 /nfs/dbraw/zinc/81/97/09/401819709.db2.gz NSXSFPPGHITILL-BGARDKSCSA-N 0 1 323.377 2.453 40 30 DEEBMN C=CCN1CCOC[C@]2(CN(Cc3ccc(C)s3)CCO2)C1 ZINC000096229404 402072333 /nfs/dbraw/zinc/07/23/33/402072333.db2.gz OZTLEZGEHIAXMZ-QGZVFWFLSA-N 0 1 322.474 2.146 40 30 DEEBMN N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)n1 ZINC000096047650 402050893 /nfs/dbraw/zinc/05/08/93/402050893.db2.gz ZNVAFLWTLLYMGJ-QAPCUYQASA-N 0 1 324.384 2.392 40 30 DEEBMN C=CCN1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccc(C)cc1 ZINC000096184374 402065549 /nfs/dbraw/zinc/06/55/49/402065549.db2.gz MBSQLBWJNVPDRC-DLBZAZTESA-N 0 1 320.458 2.159 40 30 DEEBMN Cc1nc(NN=Cc2cccc(F)c2)cc(N2CCOCC2)n1 ZINC000005003251 401728088 /nfs/dbraw/zinc/72/80/88/401728088.db2.gz RQAPLMHASVVSSW-WOJGMQOQSA-N 0 1 315.352 2.207 40 30 DEEBMN CCc1n[nH]c(=S)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000005547814 353994102 /nfs/dbraw/zinc/99/41/02/353994102.db2.gz BVTQVZUSQZULBD-NTUHNPAUSA-N 0 1 307.335 2.302 40 30 DEEBMN N#Cc1ccc(OC[C@H]2Cn3cncc3CN(C3CCC3)C2)nc1 ZINC000096207669 402069519 /nfs/dbraw/zinc/06/95/19/402069519.db2.gz KIDJSLWZUVWBSM-OAHLLOKOSA-N 0 1 323.400 2.213 40 30 DEEBMN CCN1CCN(c2c(N)cc(C#N)n2Cc2cccc(C)c2)CC1 ZINC000225869818 402324956 /nfs/dbraw/zinc/32/49/56/402324956.db2.gz MSLWFDGFMQSXEP-UHFFFAOYSA-N 0 1 323.444 2.441 40 30 DEEBMN S=C(N/N=C\c1ccc(Cl)cc1)N[C@@H]1CN2CCC1CC2 ZINC000033705898 401891950 /nfs/dbraw/zinc/89/19/50/401891950.db2.gz UFZSEFGPZSHKEC-KDVQLTRESA-N 0 1 322.865 2.232 40 30 DEEBMN N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)n1 ZINC000096047651 402050765 /nfs/dbraw/zinc/05/07/65/402050765.db2.gz ZNVAFLWTLLYMGJ-YJBOKZPZSA-N 0 1 324.384 2.392 40 30 DEEBMN CCOc1ccc(Cl)cc1C=Nn1c(=O)c(C)n[nH]c1=S ZINC000408842187 528470985 /nfs/dbraw/zinc/47/09/85/528470985.db2.gz NOHIAYRNDJQIJR-VIZOYTHASA-N 0 1 324.793 2.170 40 30 DEEBMN COc1ccc(/C(CNC(=O)OC(C)(C)C)=N/O)cc1OC ZINC000012357090 401783833 /nfs/dbraw/zinc/78/38/33/401783833.db2.gz ZJXCKPDULNUMMF-GZTJUZNOSA-N 0 1 310.350 2.407 40 30 DEEBMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNc1ccccc1 ZINC000016451077 401819308 /nfs/dbraw/zinc/81/93/08/401819308.db2.gz NSXSFPPGHITILL-XWAFYUISSA-N 0 1 323.377 2.453 40 30 DEEBMN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)[nH]1 ZINC000011657564 401775745 /nfs/dbraw/zinc/77/57/45/401775745.db2.gz XGEPVOCJPXCYFF-UHFFFAOYSA-N 0 1 307.766 2.369 40 30 DEEBMN Cc1n[nH]c(SCC(=O)Nc2cc(Cl)ccc2C#N)n1 ZINC000011657564 401775746 /nfs/dbraw/zinc/77/57/46/401775746.db2.gz XGEPVOCJPXCYFF-UHFFFAOYSA-N 0 1 307.766 2.369 40 30 DEEBMN C[C@H]1Cc2ccccc2N1C1=NC2(CCCC2)C(C#N)C(=O)N1 ZINC000014608375 291170149 /nfs/dbraw/zinc/17/01/49/291170149.db2.gz RXONWEYRZJIXMA-GXTWGEPZSA-N 0 1 308.385 2.376 40 30 DEEBMN COc1c(Cl)cc(CN=Nc2nn[nH]n2)cc1OC(C)C ZINC000006762715 181384521 /nfs/dbraw/zinc/38/45/21/181384521.db2.gz WFXPHTOJUUXZDY-MKMNVTDBSA-N 0 1 310.745 2.095 40 30 DEEBMN C=CCc1ccccc1OC[C@@H](S)CN1CCN(C)CC1 ZINC000022574147 401827002 /nfs/dbraw/zinc/82/70/02/401827002.db2.gz KUFFWHUXAZQPLJ-INIZCTEOSA-N 0 1 306.475 2.340 40 30 DEEBMN N#Cc1cccc(N[C@H]2CO[C@]3(CCN(Cc4ccco4)C3)C2)n1 ZINC000096047648 402050208 /nfs/dbraw/zinc/05/02/08/402050208.db2.gz ZNVAFLWTLLYMGJ-CRAIPNDOSA-N 0 1 324.384 2.392 40 30 DEEBMN CCCn1c([O-])c(C[N@H+]2CCC[C@H](C)C2)c(C)c(C#N)c1=O ZINC000100630137 402142206 /nfs/dbraw/zinc/14/22/06/402142206.db2.gz RXOABCXKDBQJCL-LBPRGKRZSA-N 0 1 303.406 2.376 40 30 DEEBMN COc1ccccc1[C@H]1CC(=O)CC(=Nc2nonc2N)C1 ZINC000102331029 402165382 /nfs/dbraw/zinc/16/53/82/402165382.db2.gz KNEVDFXAKAQFSD-SECBINFHSA-N 0 1 300.318 2.103 40 30 DEEBMN O=[N+]([O-])c1ccc(C=Nn2c(C(F)(F)F)n[nH]c2=S)cc1 ZINC000253618236 402670096 /nfs/dbraw/zinc/67/00/96/402670096.db2.gz OPJYFYUOWDDIBD-UHFFFAOYSA-N 0 1 317.252 2.376 40 30 DEEBMN COc1cc(CN=Nc2nn[nH]n2)ccc1OCCC(C)C ZINC000005380470 521995196 /nfs/dbraw/zinc/99/51/96/521995196.db2.gz LMAZMENBVDDSGB-OQLLNIDSSA-N 0 1 304.354 2.079 40 30 DEEBMN CCc1n[nH]c(=S)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000008182990 354010971 /nfs/dbraw/zinc/01/09/71/354010971.db2.gz ZGXLDXURYKRPBS-WLRTZDKTSA-N 0 1 321.318 2.022 40 30 DEEBMN N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4ccco4)C3)C2)n1 ZINC000096047649 402051081 /nfs/dbraw/zinc/05/10/81/402051081.db2.gz ZNVAFLWTLLYMGJ-MAUKXSAKSA-N 0 1 324.384 2.392 40 30 DEEBMN CC(C)N1Cc2cncn2C[C@@H](COc2ccc(C#N)cn2)C1 ZINC000096208951 402069393 /nfs/dbraw/zinc/06/93/93/402069393.db2.gz OPOBXRNEWXNLNC-HNNXBMFYSA-N 0 1 311.389 2.069 40 30 DEEBMN CC(C)N1CCO[C@H]2CCN(Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC000108525269 402255527 /nfs/dbraw/zinc/25/55/27/402255527.db2.gz OKKURWVQJFXVSV-ROUUACIJSA-N 0 1 317.408 2.381 40 30 DEEBMN Cc1ccc(Cn2c(C#N)cc(N)c2N2CCN(C)CC2)cc1 ZINC000225869258 402324948 /nfs/dbraw/zinc/32/49/48/402324948.db2.gz MYORELRHKNEVPB-UHFFFAOYSA-N 0 1 309.417 2.051 40 30 DEEBMN CCN1CCN(c2c(N)cc(C#N)n2Cc2ccc(C)cc2)CC1 ZINC000225869839 402325075 /nfs/dbraw/zinc/32/50/75/402325075.db2.gz ZIBYRTNZHMJHSB-UHFFFAOYSA-N 0 1 323.444 2.441 40 30 DEEBMN CN(C)[C@H]1CS(=O)(=O)OC2=C1CCSc1ccccc12 ZINC000031795692 289395296 /nfs/dbraw/zinc/39/52/96/289395296.db2.gz RWOPCQQOEIINQW-LBPRGKRZSA-N 0 1 311.428 2.184 40 30 DEEBMN Cc1c(C=NNc2ccccn2)c(=O)n(-c2ccccc2)n1C ZINC000015015535 401815170 /nfs/dbraw/zinc/81/51/70/401815170.db2.gz APOXDRDQDMZIBU-UNOMPAQXSA-N 0 1 307.357 2.325 40 30 DEEBMN N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4ccoc4)C3)C2)n1 ZINC000096047658 402051325 /nfs/dbraw/zinc/05/13/25/402051325.db2.gz JXBJOFBJROCECP-AEFFLSMTSA-N 0 1 324.384 2.392 40 30 DEEBMN Cc1cc(=O)[nH]c(NC(=N)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000018178617 182096885 /nfs/dbraw/zinc/09/68/85/182096885.db2.gz CBVCNYZLWQZOSD-UHFFFAOYSA-N 0 1 312.160 2.443 40 30 DEEBMN CC1S/C(=N/N=C\c2cccc(Br)c2)NC1=O ZINC000013547943 401801032 /nfs/dbraw/zinc/80/10/32/401801032.db2.gz SUWLHSPMWCUXEL-NCEFMCJXSA-N 0 1 312.192 2.391 40 30 DEEBMN N#Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000005681500 181271573 /nfs/dbraw/zinc/27/15/73/181271573.db2.gz VYUDCQVHKIVZBU-UHFFFAOYSA-N 0 1 303.299 2.267 40 30 DEEBMN CCCn1c([O-])c(C[N@H+]2CCC[C@@H](C)C2)c(C)c(C#N)c1=O ZINC000100630140 402142198 /nfs/dbraw/zinc/14/21/98/402142198.db2.gz RXOABCXKDBQJCL-GFCCVEGCSA-N 0 1 303.406 2.376 40 30 DEEBMN N=C(NCCc1c[nH]c2ccccc12)Nc1ncccc1[N+](=O)[O-] ZINC000225241699 402315909 /nfs/dbraw/zinc/31/59/09/402315909.db2.gz ATCXYSIKXLZOHP-UHFFFAOYSA-N 0 1 324.344 2.440 40 30 DEEBMN c1c(CN=Nc2nn[nH]n2)c2ccccc2n1Cc1ccccc1 ZINC000408974013 424934418 /nfs/dbraw/zinc/93/44/18/424934418.db2.gz UOCOGDRKCSPCPS-VCHYOVAHSA-N 0 1 317.356 2.649 40 30 DEEBMN C=CCOc1ccc(/C=C2/NC(=O)NC2=O)cc1Br ZINC000408743360 526834215 /nfs/dbraw/zinc/83/42/15/526834215.db2.gz VWGWCSWSBFYDHE-JXMROGBWSA-N 0 1 323.146 2.194 40 30 DEEBMN O=C1CSC(NN=Cc2ccccc2OC(F)(F)F)=N1 ZINC000027299183 1078179462 /nfs/dbraw/zinc/17/94/62/1078179462.db2.gz JIARFWMPCUOZNU-PJQLUOCWSA-N 0 1 303.265 2.138 40 30 DEEBMN COc1c(C=NNc2ccc([N+](=O)[O-])cn2)cccc1[N+](=O)[O-] ZINC000408914885 227247743 /nfs/dbraw/zinc/24/77/43/227247743.db2.gz ZKNNBYZPPXGQHA-CHHVJCJISA-N 0 1 317.261 2.353 40 30 DEEBMN O[C@]1(C#Cc2ccccc2)CCOC[C@H]1NCc1ccccc1 ZINC000095951729 280448513 /nfs/dbraw/zinc/44/85/13/280448513.db2.gz XZAFYIRZPVTLPF-WOJBJXKFSA-N 0 1 307.393 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DEEBMN