smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)c2cncn2C)cn1 ZINC000217061401 363126415 /nfs/dbraw/zinc/12/64/15/363126415.db2.gz CGYKFLFCAVMQNB-UHFFFAOYSA-N 0 0 217.228 1.055 10 70 BDIERN Fc1cnc(N[C@H]2CCOC2)c(F)c1 ZINC000160375569 356667053 /nfs/dbraw/zinc/66/70/53/356667053.db2.gz SGDSMOZEZLMRBU-ZETCQYMHSA-N 0 0 200.188 1.561 10 70 BDIERN NN[C@H](C1=COCCC1)[C@@H]1CCSC1 ZINC000160971628 359604023 /nfs/dbraw/zinc/60/40/23/359604023.db2.gz BSVMKHMTFPDSNL-NXEZZACHSA-N 0 0 214.334 1.266 10 70 BDIERN CCCCNC(=O)N[C@H]1CCO[C@H]1C ZINC000160612835 387364709 /nfs/dbraw/zinc/36/47/09/387364709.db2.gz ZCDWENBGJNWOAH-IUCAKERBSA-N 0 0 200.282 1.263 10 70 BDIERN NN[C@@H](C1=COCCC1)[C@@H]1CCSC1 ZINC000160971494 359604205 /nfs/dbraw/zinc/60/42/05/359604205.db2.gz BSVMKHMTFPDSNL-ZJUUUORDSA-N 0 0 214.334 1.266 10 70 BDIERN Cc1cnn(CCNC(=O)NC2(C)CCC2)c1 ZINC000161345033 384483902 /nfs/dbraw/zinc/48/39/02/384483902.db2.gz RTCSJDTZCFAXBC-UHFFFAOYSA-N 0 0 236.319 1.433 10 70 BDIERN C[C@@H]1CC[C@@H](C(=O)Nc2ncccc2O)O1 ZINC000159561483 385625595 /nfs/dbraw/zinc/62/55/95/385625595.db2.gz PFDBEXDNCYYKTK-APPZFPTMSA-N 0 0 222.244 1.293 10 70 BDIERN COC[C@@H](C)C(=O)Nc1cccc(F)n1 ZINC000160635827 174438681 /nfs/dbraw/zinc/43/86/81/174438681.db2.gz WIWLNQCRJSLEFD-SSDOTTSWSA-N 0 0 212.224 1.442 10 70 BDIERN N#Cc1cc(F)c(S(=O)(=O)F)c(F)c1 ZINC000253388054 269952576 /nfs/dbraw/zinc/95/25/76/269952576.db2.gz AWHJQIGZSGOKGI-UHFFFAOYSA-N 0 0 221.159 1.495 10 70 BDIERN CCOC(CN1CCO[C@@H]2CCC[C@H]21)OCC ZINC000216768440 535736907 /nfs/dbraw/zinc/73/69/07/535736907.db2.gz SNPPPHWEGKCKTF-VXGBXAGGSA-N 0 0 243.347 1.639 10 70 BDIERN CC/C=C(\C)C(=O)N(C)CC1CC(O)C1 ZINC000217393237 187227402 /nfs/dbraw/zinc/22/74/02/187227402.db2.gz MKQBXHRMAVTYIH-WEVVVXLNSA-N 0 0 211.305 1.572 10 70 BDIERN CCOC[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C)O2)C1 ZINC000159449420 345434434 /nfs/dbraw/zinc/43/44/34/345434434.db2.gz JYJSLFFXNQKYRY-QJPTWQEYSA-N 0 0 241.331 1.439 10 70 BDIERN Cc1c(OC(C)C)ncc2c1C(=O)NCCO2 ZINC000217965757 350078627 /nfs/dbraw/zinc/07/86/27/350078627.db2.gz RRTGZFONAOAZOX-UHFFFAOYSA-N 0 0 236.271 1.299 10 70 BDIERN O=C(Cc1cncs1)c1ccncn1 ZINC000159689737 350973369 /nfs/dbraw/zinc/97/33/69/350973369.db2.gz YOCOOIYRMFXALY-UHFFFAOYSA-N 0 0 205.242 1.359 10 70 BDIERN CCN(C(=O)c1cnc2c(c1)ncn2C)C1CC1 ZINC000159792472 350997968 /nfs/dbraw/zinc/99/79/68/350997968.db2.gz CZXDZKLOLCSOJB-UHFFFAOYSA-N 0 0 244.298 1.593 10 70 BDIERN COCC(=O)N[C@H](C)c1cccc(C)c1 ZINC000160321037 134916747 /nfs/dbraw/zinc/91/67/47/134916747.db2.gz NAYYVXWQRCKDOW-SNVBAGLBSA-N 0 0 207.273 1.819 10 70 BDIERN N#Cc1cc(S(=O)(=O)Cl)cc(F)n1 ZINC000103605502 264834408 /nfs/dbraw/zinc/83/44/08/264834408.db2.gz MKGBKXFWUOMGFL-UHFFFAOYSA-N 0 0 220.612 1.020 10 70 BDIERN Cc1cc(C#N)cc(S(=O)(=O)Cl)n1 ZINC000103605002 264834693 /nfs/dbraw/zinc/83/46/93/264834693.db2.gz AFXJXBLHZRCBSR-UHFFFAOYSA-N 0 0 216.649 1.189 10 70 BDIERN CC[N+](CC)(CC)C(=O)[N-]S(=O)(=O)Cl ZINC000104554130 717147766 /nfs/dbraw/zinc/14/77/66/717147766.db2.gz LBAPCFNPEQKSBG-UHFFFAOYSA-O 0 0 243.736 1.056 10 70 BDIERN CCc1ncnc(N[C@H]2CCO[C@H]2C)c1F ZINC000218089127 172033183 /nfs/dbraw/zinc/03/31/83/172033183.db2.gz URIDGBNRLXDULZ-CBAPKCEASA-N 0 0 225.267 1.767 10 70 BDIERN O=C(/C=C\c1cccs1)NCC1CC(O)C1 ZINC000217709768 592148572 /nfs/dbraw/zinc/14/85/72/592148572.db2.gz QLHFMRLSJLABBH-ARJAWSKDSA-N 0 0 237.324 1.648 10 70 BDIERN CCCCc1sc(N)nc1C(=O)OC ZINC000218585895 592164775 /nfs/dbraw/zinc/16/47/75/592164775.db2.gz BARFJYSBZQTJDL-UHFFFAOYSA-N 0 0 214.290 1.855 10 70 BDIERN CC(C)Oc1cc2c(cn1)CCNC2=O ZINC000217961325 344210262 /nfs/dbraw/zinc/21/02/62/344210262.db2.gz PFEIXUQOTLDOID-UHFFFAOYSA-N 0 0 206.245 1.155 10 70 BDIERN COC(=O)c1ccc2c(c1C)C(=O)NCC2 ZINC000217957861 344424467 /nfs/dbraw/zinc/42/44/67/344424467.db2.gz QFKLPDQDQIVMLA-UHFFFAOYSA-N 0 0 219.240 1.068 10 70 BDIERN CC(C)[C@H](C)NC(=O)NOCc1cccnc1 ZINC000160993749 187301649 /nfs/dbraw/zinc/30/16/49/187301649.db2.gz NBVPSIKWNLPSMD-JTQLQIEISA-N 0 0 237.303 1.857 10 70 BDIERN COC(=O)c1cnc(OCC2CC2)c(F)c1 ZINC000218576134 345854046 /nfs/dbraw/zinc/85/40/46/345854046.db2.gz IJXAGFUWQXXCDQ-UHFFFAOYSA-N 0 0 225.219 1.796 10 70 BDIERN COc1cccnc1NCC1CC(O)C1 ZINC000160247454 346358733 /nfs/dbraw/zinc/35/87/33/346358733.db2.gz MMRIMACZEXZCQJ-UHFFFAOYSA-N 0 0 208.261 1.273 10 70 BDIERN CCc1nn(C)cc1-c1nsc(N)n1 ZINC000160243872 355580811 /nfs/dbraw/zinc/58/08/11/355580811.db2.gz IGBZZBKALPQTAZ-UHFFFAOYSA-N 0 0 209.278 1.083 10 70 BDIERN C=CS(=O)(=O)c1ncc(F)cc1F ZINC000160377918 356668183 /nfs/dbraw/zinc/66/81/83/356668183.db2.gz UGMGIMPBWIKIGT-UHFFFAOYSA-N 0 0 205.185 1.277 10 70 BDIERN N#Cc1cc(C#N)cc(S(=O)(=O)Cl)c1 ZINC000103601927 264834654 /nfs/dbraw/zinc/83/46/54/264834654.db2.gz XXMBGDYDTGJWID-UHFFFAOYSA-N 0 0 226.644 1.357 10 70 BDIERN O=C(NC1(CO)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000160180359 323062750 /nfs/dbraw/zinc/06/27/50/323062750.db2.gz JMAUEQYGWDTSHF-NWDGAFQWSA-N 0 0 237.343 1.844 10 70 BDIERN CC[C@@H](CSC)NC(=O)n1ccnc1 ZINC000217433452 592108091 /nfs/dbraw/zinc/10/80/91/592108091.db2.gz WNMBDJJQNDZCLK-QMMMGPOBSA-N 0 0 213.306 1.582 10 70 BDIERN CC(C)=Cc1nc(N2CCCC2)nn1C ZINC000217465695 343278821 /nfs/dbraw/zinc/27/88/21/343278821.db2.gz HKLIVEQDLHHECE-UHFFFAOYSA-N 0 0 206.293 1.839 10 70 BDIERN COc1c(OC(C)=O)ccc2c1OCCO2 ZINC000218605188 344241034 /nfs/dbraw/zinc/24/10/34/344241034.db2.gz ITAIHELWFTYLIL-UHFFFAOYSA-N 0 0 224.212 1.392 10 70 BDIERN COC(=O)c1cc2cc3c(cc2o1)OCO3 ZINC000218232497 350086391 /nfs/dbraw/zinc/08/63/91/350086391.db2.gz QJMYLXLKSMJQPM-UHFFFAOYSA-N 0 0 220.180 1.948 10 70 BDIERN CC(C)NC(=S)N[C@H]1CCO[C@@H]1C ZINC000160658908 357159404 /nfs/dbraw/zinc/15/94/04/357159404.db2.gz ZVWUAFCNJMHNLM-SFYZADRCSA-N 0 0 202.323 1.036 10 70 BDIERN O[C@]12CCCC[C@@H]1CN(Cc1ccon1)CC2 ZINC000161079084 360503064 /nfs/dbraw/zinc/50/30/64/360503064.db2.gz OXWCWJUOKTVNDY-YPMHNXCESA-N 0 0 236.315 1.802 10 70 BDIERN Cc1c(C(=O)N[C@H]2C[C@@H]2C)cnn1CC(C)C ZINC000161284131 387178883 /nfs/dbraw/zinc/17/88/83/387178883.db2.gz GFEGABDGGMJMPC-CABZTGNLSA-N 0 0 235.331 1.986 10 70 BDIERN C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@@H](C)O1 ZINC000160969096 388106343 /nfs/dbraw/zinc/10/63/43/388106343.db2.gz FFDMYAGWALGOCD-MXWKQRLJSA-N 0 0 227.304 1.191 10 70 BDIERN C[SiH](c1ccc(F)cc1)c1ccc(F)cc1 ZINC000504014478 533590511 /nfs/dbraw/zinc/59/05/11/533590511.db2.gz DYJGSJPWBYPXGY-UHFFFAOYSA-N 0 0 234.321 1.936 10 70 BDIERN C[C@H](CCO)NC(=O)N[C@H](C)C(C)(C)C ZINC000159802276 488087724 /nfs/dbraw/zinc/08/77/24/488087724.db2.gz OPCGLAOAVTUHSR-RKDXNWHRSA-N 0 0 216.325 1.491 10 70 BDIERN CC[C@H](CSC)NC(=O)n1ccnc1 ZINC000217433542 592107977 /nfs/dbraw/zinc/10/79/77/592107977.db2.gz WNMBDJJQNDZCLK-MRVPVSSYSA-N 0 0 213.306 1.582 10 70 BDIERN CCC[C@@H]1CN(C(=O)N[C@H]2C[C@@H]2C)CCO1 ZINC000160981079 538913790 /nfs/dbraw/zinc/91/37/90/538913790.db2.gz KWMOAVFSOYVAMO-AXFHLTTASA-N 0 0 226.320 1.605 10 70 BDIERN COc1ccc(-n2c(=O)ssc2=O)cc1 ZINC000217778339 344207216 /nfs/dbraw/zinc/20/72/16/344207216.db2.gz NIDDKRYWACGSLF-UHFFFAOYSA-N 0 0 241.293 1.329 10 70 BDIERN NC(=O)N(O)[C@H]1Cc2c(ccc3ccccc23)O1 ZINC000218499455 345851895 /nfs/dbraw/zinc/85/18/95/345851895.db2.gz DGKIEVHHBCXACX-GFCCVEGCSA-N 0 0 244.250 1.871 10 70 BDIERN C[C@H]1OCC[C@@H]1NC(=O)NC1CCCCC1 ZINC000160614827 538885248 /nfs/dbraw/zinc/88/52/48/538885248.db2.gz AILPBQWSEHDNRX-KOLCDFICSA-N 0 0 226.320 1.796 10 70 BDIERN Fc1ccc([SiH2]c2ccc(F)cc2)cc1 ZINC000584599817 358256587 /nfs/dbraw/zinc/25/65/87/358256587.db2.gz QMGLMTJGVIVJKI-UHFFFAOYSA-N 0 0 220.294 1.084 10 70 BDIERN N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl ZINC000104549488 264834924 /nfs/dbraw/zinc/83/49/24/264834924.db2.gz HNLWIJONFQGUCK-UHFFFAOYSA-N 0 0 246.631 1.394 10 70 BDIERN C[C@H]1CC[C@@H](C(=O)NCC2(C3CC3)CC2)O1 ZINC000159641139 323075214 /nfs/dbraw/zinc/07/52/14/323075214.db2.gz CAAJPQZCHYJGIY-ONGXEEELSA-N 0 0 223.316 1.860 10 70 BDIERN NC(=O)CN1CCC2(CC2)c2ccccc21 ZINC000216790708 350016137 /nfs/dbraw/zinc/01/61/37/350016137.db2.gz DYLQSZZGWAKUOC-UHFFFAOYSA-N 0 0 216.284 1.414 10 70 BDIERN CCOC(=O)Nc1nnc(OCC)cc1C ZINC000217568294 350062686 /nfs/dbraw/zinc/06/26/86/350062686.db2.gz YRIZVHMJWDSLTF-UHFFFAOYSA-N 0 0 225.248 1.752 10 70 BDIERN Cn1cc(C(=O)Cc2cncs2)cn1 ZINC000159691606 350974975 /nfs/dbraw/zinc/97/49/75/350974975.db2.gz ARHWELPYRULKFQ-UHFFFAOYSA-N 0 0 207.258 1.302 10 70 BDIERN C[NH+](C)CCNc1ncc(F)cc1F ZINC000160368898 356489333 /nfs/dbraw/zinc/48/93/33/356489333.db2.gz DLOGRJNWYCZWOJ-UHFFFAOYSA-N 0 0 201.220 1.333 10 70 BDIERN NC(=S)c1cccn1-c1nccs1 ZINC000160475642 356989194 /nfs/dbraw/zinc/98/91/94/356989194.db2.gz BGMHNTVRYQXMFB-UHFFFAOYSA-N 0 0 209.299 1.568 10 70 BDIERN C[C@@H]1OCC[C@@H]1NC(=O)NC(C)(C)C ZINC000160619866 538885099 /nfs/dbraw/zinc/88/50/99/538885099.db2.gz ZEOFDHQIIHUFMA-YUMQZZPRSA-N 0 0 200.282 1.262 10 70 BDIERN CC(C)c1cccc(C(C)C)c1N([SiH3])[SiH3] ZINC000584607772 358268250 /nfs/dbraw/zinc/26/82/50/358268250.db2.gz CDNMUIAAQLUQIN-UHFFFAOYSA-N 0 0 237.495 1.301 10 70 BDIERN CC[C@H](C)CN1CCOC[C@@H]1c1nc(C)no1 ZINC000160863945 358975340 /nfs/dbraw/zinc/97/53/40/358975340.db2.gz OZDKWGRKBITSBT-GXSJLCMTSA-N 0 0 239.319 1.797 10 70 BDIERN CCn1ccnc1CS[C@H](C)CO ZINC000160715211 388086409 /nfs/dbraw/zinc/08/64/09/388086409.db2.gz SBAJVZVYOXZNDJ-MRVPVSSYSA-N 0 0 200.307 1.517 10 70 BDIERN CC[C@@](C)(O)CN(C)Cc1nccn1C(F)F ZINC000160549270 171178620 /nfs/dbraw/zinc/17/86/20/171178620.db2.gz KSKFWIGVWKRFOB-LLVKDONJSA-N 0 0 247.289 1.871 10 70 BDIERN N#Cc1cc(CS(=O)(=O)Cl)cs1 ZINC000521399030 268180128 /nfs/dbraw/zinc/18/01/28/268180128.db2.gz YGSYZGWYRRSBBT-UHFFFAOYSA-N 0 0 221.690 1.688 10 70 BDIERN COc1ccnc(N2C[C@H]3CC=CC[C@@H]3C2)n1 ZINC000216760625 345744526 /nfs/dbraw/zinc/74/45/26/345744526.db2.gz IVYZGWVOFZBLCH-GHMZBOCLSA-N 0 0 231.299 1.888 10 70 BDIERN C[C@H](c1cnn(C)c1)S(=O)(=O)Cl ZINC000088251415 538572396 /nfs/dbraw/zinc/57/23/96/538572396.db2.gz QGQWRYAHHOFCKA-RXMQYKEDSA-N 0 0 208.670 1.050 10 70 BDIERN NN[C@@H](C1=COCCC1)[C@H]1CCSC1 ZINC000160971763 359604505 /nfs/dbraw/zinc/60/45/05/359604505.db2.gz BSVMKHMTFPDSNL-UWVGGRQHSA-N 0 0 214.334 1.266 10 70 BDIERN C[C@H]1C[C@@H]1NC(=O)c1cnc2c(c1)ncn2C ZINC000159785441 411401068 /nfs/dbraw/zinc/40/10/68/411401068.db2.gz VSBPVGMWTIHMRU-CBAPKCEASA-N 0 0 230.271 1.107 10 70 BDIERN N#Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1 ZINC000103600456 264834282 /nfs/dbraw/zinc/83/42/82/264834282.db2.gz ABFQYCPQTIPNHI-UHFFFAOYSA-N 0 0 246.631 1.394 10 70 BDIERN COC(CN[C@@H](C)c1ncc(C)o1)OC ZINC000218061840 592151372 /nfs/dbraw/zinc/15/13/72/592151372.db2.gz IVJRYLPTYDTCMR-QMMMGPOBSA-N 0 0 214.265 1.253 10 70 BDIERN CC(=O)c1cc2c(cc1F)OCC(=O)N2 ZINC000218229416 345275022 /nfs/dbraw/zinc/27/50/22/345275022.db2.gz OVVZNZUOSDGEBJ-UHFFFAOYSA-N 0 0 209.176 1.359 10 70 BDIERN Cn1ccc(C(=O)Cc2cncs2)n1 ZINC000159691738 350974823 /nfs/dbraw/zinc/97/48/23/350974823.db2.gz ZWEBOKZLHCHFKL-UHFFFAOYSA-N 0 0 207.258 1.302 10 70 BDIERN COc1cccnc1N[C@H]1CCO[C@@H]1C ZINC000159467512 538877089 /nfs/dbraw/zinc/87/70/89/538877089.db2.gz IONDDGLOMUDDKZ-BDAKNGLRSA-N 0 0 208.261 1.680 10 70 BDIERN CC[C@@H](C)CN1CCOC[C@@H]1c1nc(C)no1 ZINC000160863835 358975171 /nfs/dbraw/zinc/97/51/71/358975171.db2.gz OZDKWGRKBITSBT-MWLCHTKSSA-N 0 0 239.319 1.797 10 70 BDIERN CC(C)[C@H](C)NC(=O)N1CC[C@H](CO)C1 ZINC000160885352 358989012 /nfs/dbraw/zinc/98/90/12/358989012.db2.gz YERNLLFDCLSBGF-UWVGGRQHSA-N 0 0 214.309 1.055 10 70 BDIERN C[C@@H](CCO)NC(=O)N[C@@H](C)CC1CC1 ZINC000159849302 134793060 /nfs/dbraw/zinc/79/30/60/134793060.db2.gz WLGWBPMIOGPUQO-IUCAKERBSA-N 0 0 214.309 1.245 10 70 BDIERN C[C@H]1C[C@@H]1NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000160545353 323070538 /nfs/dbraw/zinc/07/05/38/323070538.db2.gz DWEBDGYINWHKNK-FSPLSTOPSA-N 0 0 245.204 1.634 10 70 BDIERN Cc1noc([C@@H]2COCCN2CCCF)n1 ZINC000161155087 349393989 /nfs/dbraw/zinc/39/39/89/349393989.db2.gz ZNYOUUYQPGCTCM-VIFPVBQESA-N 0 0 229.255 1.111 10 70 BDIERN C[C@H]1CC(OCC(N)=S)C[C@H](C)O1 ZINC000159564578 350896928 /nfs/dbraw/zinc/89/69/28/350896928.db2.gz KYFAXLDMWWHHPS-BQBZGAKWSA-N 0 0 203.307 1.245 10 70 BDIERN Cc1cc(C(=O)OC2COC2)ccc1F ZINC000161071937 360502130 /nfs/dbraw/zinc/50/21/30/360502130.db2.gz VUIUUKLSTOADRV-UHFFFAOYSA-N 0 0 210.204 1.690 10 70 BDIERN CC[C@](C)(O)CN(C)Cc1cc(C)on1 ZINC000160548265 384419628 /nfs/dbraw/zinc/41/96/28/384419628.db2.gz OMBNMPPUTMYKCH-NSHDSACASA-N 0 0 212.293 1.576 10 70 BDIERN O=C(Nc1nc[nH]n1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161023833 384456154 /nfs/dbraw/zinc/45/61/54/384456154.db2.gz PMYBWSSIYHBUPL-NXEZZACHSA-N 0 0 234.303 1.960 10 70 BDIERN Cn1c2[nH]c(=O)cc(C(F)F)c2n(C)c1=S ZINC000217014654 385876401 /nfs/dbraw/zinc/87/64/01/385876401.db2.gz IYRZDYNYKFCAEM-UHFFFAOYSA-N 0 0 245.254 1.872 10 70 BDIERN CC(C)(C)[C@H](O)CNC(=O)[C@@H]1CCCCO1 ZINC000160843674 387976747 /nfs/dbraw/zinc/97/67/47/387976747.db2.gz LRBMJTANPZCPTA-VHSXEESVSA-N 0 0 229.320 1.079 10 70 BDIERN Cc1cc(C#N)nc(S(=O)(=O)Cl)c1 ZINC000103605379 264834776 /nfs/dbraw/zinc/83/47/76/264834776.db2.gz LUWZRSNLCRUQLX-UHFFFAOYSA-N 0 0 216.649 1.189 10 70 BDIERN CCC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]2C)CCO1 ZINC000160980809 538913552 /nfs/dbraw/zinc/91/35/52/538913552.db2.gz KWMOAVFSOYVAMO-HBNTYKKESA-N 0 0 226.320 1.605 10 70 BDIERN CCC(CC)(C[NH3+])C(=O)/N=c1/sccn1C ZINC000161260469 168322016 /nfs/dbraw/zinc/32/20/16/168322016.db2.gz AHTJLWKYLWOVDH-JLHYYAGUSA-N 0 0 241.360 1.279 10 70 BDIERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2O)O1 ZINC000159572713 323038205 /nfs/dbraw/zinc/03/82/05/323038205.db2.gz PGVNDQZZCDDWEO-GZMMTYOYSA-N 0 0 221.256 1.898 10 70 BDIERN O=C1CN=C(c2ccccc2)c2ncccc2N1 ZINC000217076392 343249895 /nfs/dbraw/zinc/24/98/95/343249895.db2.gz WWLXTFAUHIGYMY-UHFFFAOYSA-N 0 0 237.262 1.871 10 70 BDIERN NC(=O)Nc1ccnc(C(F)(F)F)c1 ZINC000218685138 350100060 /nfs/dbraw/zinc/10/00/60/350100060.db2.gz CMKFZPXBXXQENP-UHFFFAOYSA-N 0 0 205.139 1.591 10 70 BDIERN C[C@@H]1CC(OCC(N)=S)C[C@@H](C)O1 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238.291 1.027 10 70 BDIERN O=c1[nH]cnc2cc(OCC3CC3)cnc21 ZINC000217078167 343249884 /nfs/dbraw/zinc/24/98/84/343249884.db2.gz XHGBEIXWUNDRCN-UHFFFAOYSA-N 0 0 217.228 1.107 10 70 BDIERN CNc1nnc(C(=O)NCc2ccccc2)s1 ZINC000159984582 351273486 /nfs/dbraw/zinc/27/34/86/351273486.db2.gz NPJSSEYZINALIE-UHFFFAOYSA-N 0 0 248.311 1.510 10 70 BDIERN Fc1cnc(N[C@@H]2CCOC2)c(F)c1 ZINC000160375450 356667123 /nfs/dbraw/zinc/66/71/23/356667123.db2.gz SGDSMOZEZLMRBU-SSDOTTSWSA-N 0 0 200.188 1.561 10 70 BDIERN CCCCCC[C@H](OC)C([SiH3])(OC)OC ZINC000206572296 385662544 /nfs/dbraw/zinc/66/25/44/385662544.db2.gz CRNOWQFRDNSIAU-JTQLQIEISA-N 0 0 234.412 1.284 10 70 BDIERN C[C@@H]1OCC[C@@H]1NC(=O)NCc1ccccc1 ZINC000160610981 387351172 /nfs/dbraw/zinc/35/11/72/387351172.db2.gz ODNPJXGKRVVCJZ-JQWIXIFHSA-N 0 0 234.299 1.663 10 70 BDIERN Cc1cc(NC(=O)[C@H]2CC[C@@H](C)O2)sn1 ZINC000159865874 323050945 /nfs/dbraw/zinc/05/09/45/323050945.db2.gz YZNBBKLPMURBCP-HTQZYQBOSA-N 0 0 226.301 1.958 10 70 BDIERN C[C@@H]1C[C@@H]1NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000160545205 323070474 /nfs/dbraw/zinc/07/04/74/323070474.db2.gz DWEBDGYINWHKNK-VDTYLAMSSA-N 0 0 245.204 1.634 10 70 BDIERN C[C@@H](CN1CC[NH+]=C1[O-])c1ccccc1 ZINC000159771387 524618492 /nfs/dbraw/zinc/61/84/92/524618492.db2.gz GUCMWKZWGYSHLJ-JTQLQIEISA-N 0 0 204.273 1.815 10 70 BDIERN COC(=O)c1cccc2[nH]c(N(C)C)nc21 ZINC000218697351 345854033 /nfs/dbraw/zinc/85/40/33/345854033.db2.gz CTBKUBIJHHIFJY-UHFFFAOYSA-N 0 0 219.244 1.416 10 70 BDIERN Cc1[nH]c(=O)ccc1C(=O)N[C@H]1C[C@@H]1C ZINC000161303792 180027591 /nfs/dbraw/zinc/02/75/91/180027591.db2.gz RJZGVSXUPJHUSC-RCOVLWMOSA-N 0 0 206.245 1.234 10 70 BDIERN CCCCCC[C@@H](OC)C([SiH3])(OC)OC ZINC000206572340 168676244 /nfs/dbraw/zinc/67/62/44/168676244.db2.gz CRNOWQFRDNSIAU-SNVBAGLBSA-N 0 0 234.412 1.284 10 70 BDIERN Cc1ccnc(NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000161341803 384482041 /nfs/dbraw/zinc/48/20/41/384482041.db2.gz PSSQUWCUAJCVPV-ZDUSSCGKSA-N 0 0 249.358 1.649 10 70 BDIERN CCCCNC(=O)N[C@@H]1CCO[C@H]1C ZINC000160612697 387362969 /nfs/dbraw/zinc/36/29/69/387362969.db2.gz ZCDWENBGJNWOAH-DTWKUNHWSA-N 0 0 200.282 1.263 10 70 BDIERN CC(C)[C@@H](O)CC(=O)NCc1cccc(O)c1 ZINC000160033804 323058153 /nfs/dbraw/zinc/05/81/53/323058153.db2.gz HGOXCECIKJVOOX-LBPRGKRZSA-N 0 0 237.299 1.415 10 70 BDIERN Cn1ncc(C(N)=O)c1-c1ccc(F)cc1 ZINC000217814801 344207093 /nfs/dbraw/zinc/20/70/93/344207093.db2.gz HZKGXTWOJZUJKR-UHFFFAOYSA-N 0 0 219.219 1.325 10 70 BDIERN Cc1noc([C@H]2COCCN2CCCF)n1 ZINC000161155220 349394976 /nfs/dbraw/zinc/39/49/76/349394976.db2.gz ZNYOUUYQPGCTCM-SECBINFHSA-N 0 0 229.255 1.111 10 70 BDIERN Cc1cc(N)nn1CCO[C@@H]1CCCCO1 ZINC000217660314 371992775 /nfs/dbraw/zinc/99/27/75/371992775.db2.gz DUGIUBJKOHYUOB-LLVKDONJSA-N 0 0 225.292 1.317 10 70 BDIERN CC[C@H](NC(=O)N[C@H]1CCOC1)C(C)C ZINC000159393293 385966177 /nfs/dbraw/zinc/96/61/77/385966177.db2.gz UYQGJGYEILCMIC-UWVGGRQHSA-N 0 0 214.309 1.509 10 70 BDIERN C[C@]1(CO)CCC[C@@H]1NC(=O)[C@@H]1CCCCO1 ZINC000160796446 387781751 /nfs/dbraw/zinc/78/17/51/387781751.db2.gz ZSWAMEAORBYXAZ-GMXVVIOVSA-N 0 0 241.331 1.223 10 70 BDIERN CC[C@@H](NC(=O)N[C@@H]1CCOC1)C(C)C ZINC000159393162 134773361 /nfs/dbraw/zinc/77/33/61/134773361.db2.gz UYQGJGYEILCMIC-NXEZZACHSA-N 0 0 214.309 1.509 10 70 BDIERN Cc1c(C(=O)N[C@@H]2C[C@@H]2C)cnn1CC(C)C ZINC000161284011 323489043 /nfs/dbraw/zinc/48/90/43/323489043.db2.gz GFEGABDGGMJMPC-JOYOIKCWSA-N 0 0 235.331 1.986 10 70 BDIERN C[C@@H]1CC[C@@H](C(=O)NCC2(C3CC3)CC2)O1 ZINC000159641006 323041264 /nfs/dbraw/zinc/04/12/64/323041264.db2.gz CAAJPQZCHYJGIY-KOLCDFICSA-N 0 0 223.316 1.860 10 70 BDIERN CCOC[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C)O2)C1 ZINC000159449150 345434309 /nfs/dbraw/zinc/43/43/09/345434309.db2.gz JYJSLFFXNQKYRY-TUAOUCFPSA-N 0 0 241.331 1.439 10 70 BDIERN C[C@H](CC1CC1)NC(=O)N[C@@H](C)CCO ZINC000159849473 345567809 /nfs/dbraw/zinc/56/78/09/345567809.db2.gz WLGWBPMIOGPUQO-DTWKUNHWSA-N 0 0 214.309 1.245 10 70 BDIERN C[C@@H]1CC[C@H]([C@@H](NN)c2ccsc2)O1 ZINC000217316767 346205599 /nfs/dbraw/zinc/20/55/99/346205599.db2.gz MDRVQRRYUDRRDD-QNSHHTMESA-N 0 0 212.318 1.820 10 70 BDIERN Cc1[nH]c(=O)ccc1C(=O)N[C@H]1C[C@H]1C ZINC000161304048 180027190 /nfs/dbraw/zinc/02/71/90/180027190.db2.gz RJZGVSXUPJHUSC-MUWHJKNJSA-N 0 0 206.245 1.234 10 70 BDIERN Cc1cc(Cc2cnc(N)s2)n(C)n1 ZINC000159880633 351017002 /nfs/dbraw/zinc/01/70/02/351017002.db2.gz MUVLRJWQYPBRGL-UHFFFAOYSA-N 0 0 208.290 1.358 10 70 BDIERN Cc1nn(C)c(C)c1C(=O)c1ccoc1 ZINC000159969452 351147860 /nfs/dbraw/zinc/14/78/60/351147860.db2.gz ULVIIZRGWQKCNZ-UHFFFAOYSA-N 0 0 204.229 1.861 10 70 BDIERN CC(C)[C@H](C)NC(=O)N1CCC[C@@](C)(O)C1 ZINC000159722737 541400586 /nfs/dbraw/zinc/40/05/86/541400586.db2.gz IBMRJBUENLJMFW-CMPLNLGQSA-N 0 0 228.336 1.587 10 70 BDIERN C[C@H](NC(=O)[C@@H]1CCCCO1)[C@@H]1CCCO1 ZINC000161448972 384490025 /nfs/dbraw/zinc/49/00/25/384490025.db2.gz ZAUMXOKVMJDVJU-DCAQKATOSA-N 0 0 227.304 1.239 10 70 BDIERN C[C@]1(CO)CCC[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC000160796698 387781540 /nfs/dbraw/zinc/78/15/40/387781540.db2.gz ZSWAMEAORBYXAZ-DMDPSCGWSA-N 0 0 241.331 1.223 10 70 BDIERN O=C(/C=C\c1ccco1)NCC1CC(O)C1 ZINC000217541255 592125467 /nfs/dbraw/zinc/12/54/67/592125467.db2.gz FKMWBFMIUKDVIA-ARJAWSKDSA-N 0 0 221.256 1.180 10 70 BDIERN O=C(NCCO)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000159472681 345436836 /nfs/dbraw/zinc/43/68/36/345436836.db2.gz TUZLNQFTYBKCDK-GHMZBOCLSA-N 0 0 211.305 1.311 10 70 BDIERN O=C(NCCO)[C@H]1C[C@H]1C1CCCCC1 ZINC000159472259 345436887 /nfs/dbraw/zinc/43/68/87/345436887.db2.gz TUZLNQFTYBKCDK-QWRGUYRKSA-N 0 0 211.305 1.311 10 70 BDIERN COC[C@H](C)Nc1ncc(F)cc1F ZINC000160369587 356486574 /nfs/dbraw/zinc/48/65/74/356486574.db2.gz XWOKGECSOXMGSW-LURJTMIESA-N 0 0 202.204 1.807 10 70 BDIERN C[C@@H](c1cnn(C)c1)S(=O)(=O)Cl ZINC000088251412 538571546 /nfs/dbraw/zinc/57/15/46/538571546.db2.gz QGQWRYAHHOFCKA-YFKPBYRVSA-N 0 0 208.670 1.050 10 70 BDIERN Cn1nc(N)cc1CCOCc1ccccc1 ZINC000217660735 371993293 /nfs/dbraw/zinc/99/32/93/371993293.db2.gz NAIBFRGKBQMYDV-UHFFFAOYSA-N 0 0 231.299 1.762 10 70 BDIERN CC[C@](C)(O)CN(C)Cc1nccn1C(F)F ZINC000160549137 384419739 /nfs/dbraw/zinc/41/97/39/384419739.db2.gz KSKFWIGVWKRFOB-NSHDSACASA-N 0 0 247.289 1.871 10 70 BDIERN O=C(Nc1nc[nH]n1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161023968 384456382 /nfs/dbraw/zinc/45/63/82/384456382.db2.gz PMYBWSSIYHBUPL-ZJUUUORDSA-N 0 0 234.303 1.960 10 70 BDIERN C[C@@H]1C[C@@H]1NC(=O)c1cnc2c(c1)ncn2C ZINC000159785306 411400502 /nfs/dbraw/zinc/40/05/02/411400502.db2.gz VSBPVGMWTIHMRU-APPZFPTMSA-N 0 0 230.271 1.107 10 70 BDIERN C[C@H]1CN(C(=O)c2ccncc2F)CCS1 ZINC000161430617 177229924 /nfs/dbraw/zinc/22/99/24/177229924.db2.gz MKZXPHNMUHKPSC-QMMMGPOBSA-N 0 0 240.303 1.798 10 70 BDIERN C[C@@H]1CC[C@H](C(=O)NCC2(C3CC3)CC2)O1 ZINC000159640714 323041238 /nfs/dbraw/zinc/04/12/38/323041238.db2.gz CAAJPQZCHYJGIY-MWLCHTKSSA-N 0 0 223.316 1.860 10 70 BDIERN COc1nc(N2CCCCC2)nc(OC)c1O ZINC000218521283 344239975 /nfs/dbraw/zinc/23/99/75/344239975.db2.gz AQQYBPDLTDRFGF-UHFFFAOYSA-N 0 0 239.275 1.190 10 70 BDIERN O=C(NCCO)[C@H]1C[C@@H]1C1CCCCC1 ZINC000159472411 345436731 /nfs/dbraw/zinc/43/67/31/345436731.db2.gz TUZLNQFTYBKCDK-MNOVXSKESA-N 0 0 211.305 1.311 10 70 BDIERN COC[C@@H](C)Nc1ncc(F)cc1F ZINC000160369715 346449577 /nfs/dbraw/zinc/44/95/77/346449577.db2.gz XWOKGECSOXMGSW-ZCFIWIBFSA-N 0 0 202.204 1.807 10 70 BDIERN CCNC(=O)Cc1ccn(-c2ccc(F)cn2)n1 ZINC000216805130 350016097 /nfs/dbraw/zinc/01/60/97/350016097.db2.gz RDEVRWZERYVLJH-UHFFFAOYSA-N 0 0 248.261 1.085 10 70 BDIERN COC(=O)c1c(O)cnc(OC(C)C)c1C ZINC000217965560 350078556 /nfs/dbraw/zinc/07/85/56/350078556.db2.gz FYIFKJZIUWMMNB-UHFFFAOYSA-N 0 0 225.244 1.669 10 70 BDIERN O=S(=O)(F)c1ccc(Br)nc1 ZINC000258248467 538779084 /nfs/dbraw/zinc/77/90/84/538779084.db2.gz MHWWGFYXAIQYFV-UHFFFAOYSA-N 0 0 240.053 1.502 10 70 BDIERN C[C@H]1OCC[C@@H]1NC(=O)NCc1ccccc1 ZINC000160610861 387352229 /nfs/dbraw/zinc/35/22/29/387352229.db2.gz ODNPJXGKRVVCJZ-PWSUYJOCSA-N 0 0 234.299 1.663 10 70 BDIERN C[C@H](CN1CC[NH+]=C1[O-])c1ccccc1 ZINC000159771523 524344443 /nfs/dbraw/zinc/34/44/43/524344443.db2.gz GUCMWKZWGYSHLJ-SNVBAGLBSA-N 0 0 204.273 1.815 10 70 BDIERN Cc1nn(Cc2cncs2)c(C)c1N ZINC000159617244 350953385 /nfs/dbraw/zinc/95/33/85/350953385.db2.gz GOJXGSUVYJKQRG-UHFFFAOYSA-N 0 0 208.290 1.587 10 70 BDIERN Cc1nnsc1C(=O)c1cnccc1C ZINC000161155031 363202411 /nfs/dbraw/zinc/20/24/11/363202411.db2.gz WVTPCNYZNZLTJT-UHFFFAOYSA-N 0 0 219.269 1.781 10 70 BDIERN C[C@H]1OCC[C@@H]1NC(=O)NC(C)(C)C ZINC000160619736 538885392 /nfs/dbraw/zinc/88/53/92/538885392.db2.gz ZEOFDHQIIHUFMA-SFYZADRCSA-N 0 0 200.282 1.262 10 70 BDIERN c1ccc([SiH]2CCc3ccccc32)cc1 ZINC000584617137 358281912 /nfs/dbraw/zinc/28/19/12/358281912.db2.gz KZFPCXZFXJCPQZ-UHFFFAOYSA-N 0 0 210.352 1.584 10 70 BDIERN Cc1ccnc(NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000161341910 384483343 /nfs/dbraw/zinc/48/33/43/384483343.db2.gz PSSQUWCUAJCVPV-CYBMUJFWSA-N 0 0 249.358 1.649 10 70 BDIERN Cc1cnc(NCCOCC(C)C)nc1 ZINC000160423358 388065718 /nfs/dbraw/zinc/06/57/18/388065718.db2.gz JCKQEWBHLOOLEI-UHFFFAOYSA-N 0 0 209.293 1.870 10 70 BDIERN N#Cc1ccc(S(=O)(=O)Cl)cc1F ZINC000104554044 264834522 /nfs/dbraw/zinc/83/45/22/264834522.db2.gz BQOLEECFBQEGJC-UHFFFAOYSA-N 0 0 219.624 1.625 10 70 BDIERN CC(C)Oc1ccc(CN2CCNC2=O)cc1 ZINC000218507412 519779121 /nfs/dbraw/zinc/77/91/21/519779121.db2.gz LWBBQLSZAMIFGZ-UHFFFAOYSA-N 0 0 234.299 1.999 10 70 BDIERN CC(C)[C@@H](C)NC(=O)N1CCC[C@@](C)(O)C1 ZINC000159722594 566484849 /nfs/dbraw/zinc/48/48/49/566484849.db2.gz IBMRJBUENLJMFW-ZYHUDNBSSA-N 0 0 228.336 1.587 10 70 BDIERN Cc1cc(N)nn1CCO[C@H]1CCCCO1 ZINC000217660399 344202462 /nfs/dbraw/zinc/20/24/62/344202462.db2.gz DUGIUBJKOHYUOB-NSHDSACASA-N 0 0 225.292 1.317 10 70 BDIERN COc1ccnc(N2C[C@@H]3CC=CC[C@H]3C2)n1 ZINC000216760670 345744212 /nfs/dbraw/zinc/74/42/12/345744212.db2.gz IVYZGWVOFZBLCH-QWRGUYRKSA-N 0 0 231.299 1.888 10 70 BDIERN O=C1CCC(=O)N1c1cc(C(F)(F)F)ccn1 ZINC000216884992 350021730 /nfs/dbraw/zinc/02/17/30/350021730.db2.gz HVLUTQMLVMRZKW-UHFFFAOYSA-N 0 0 244.172 1.754 10 70 BDIERN COc1cccnc1N[C@@H]1CCO[C@H]1C ZINC000159467421 538877204 /nfs/dbraw/zinc/87/72/04/538877204.db2.gz IONDDGLOMUDDKZ-DTWKUNHWSA-N 0 0 208.261 1.680 10 70 BDIERN COC(=O)c1c(F)cc(F)cc1OC ZINC000217988686 372040308 /nfs/dbraw/zinc/04/03/08/372040308.db2.gz WWXCJZTVGISDRP-UHFFFAOYSA-N 0 0 202.156 1.760 10 70 BDIERN C[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1 ZINC000160610755 387352139 /nfs/dbraw/zinc/35/21/39/387352139.db2.gz ODNPJXGKRVVCJZ-CMPLNLGQSA-N 0 0 234.299 1.663 10 70 BDIERN CC[C@@](C)(O)CN(C)Cc1cc(C)on1 ZINC000160548361 171177834 /nfs/dbraw/zinc/17/78/34/171177834.db2.gz OMBNMPPUTMYKCH-LLVKDONJSA-N 0 0 212.293 1.576 10 70 BDIERN C[C@H]1CC[C@@H](C(=O)Nc2ccccc2O)O1 ZINC000159572931 323038191 /nfs/dbraw/zinc/03/81/91/323038191.db2.gz PGVNDQZZCDDWEO-KWQFWETISA-N 0 0 221.256 1.898 10 70 BDIERN CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000160630760 487972427 /nfs/dbraw/zinc/97/24/27/487972427.db2.gz VAZZQWBMJQPYCD-IJLUTSLNSA-N 0 0 225.332 1.556 10 70 BDIERN Cn1nc(C(C)(C)C(F)(F)F)cc1N ZINC000218195398 592153444 /nfs/dbraw/zinc/15/34/44/592153444.db2.gz DVKRPBBIJMLJOZ-UHFFFAOYSA-N 0 0 207.199 1.842 10 70 BDIERN c1nsc(NC2CCSCC2)n1 ZINC000160525526 357035402 /nfs/dbraw/zinc/03/54/02/357035402.db2.gz SJDKHYTUQYUKDI-UHFFFAOYSA-N 0 0 201.320 1.846 10 70 BDIERN C[C@@H]1OCC[C@H]1NC(=O)NC(C)(C)C ZINC000160619613 538885376 /nfs/dbraw/zinc/88/53/76/538885376.db2.gz ZEOFDHQIIHUFMA-JGVFFNPUSA-N 0 0 200.282 1.262 10 70 BDIERN Cc1cc(N)n(CCO[C@H]2CCCCO2)n1 ZINC000217660599 358938810 /nfs/dbraw/zinc/93/88/10/358938810.db2.gz VTSWBWLEJSHTAK-NSHDSACASA-N 0 0 225.292 1.317 10 70 BDIERN C[C@H]1CC[C@@H](C(=O)Nc2ncccc2O)O1 ZINC000159561623 385626841 /nfs/dbraw/zinc/62/68/41/385626841.db2.gz PFDBEXDNCYYKTK-CBAPKCEASA-N 0 0 222.244 1.293 10 70 BDIERN Cc1nc2c([nH]1)C[C@H](C(=O)N1CCCCC1)CC2 ZINC000161128001 538914196 /nfs/dbraw/zinc/91/41/96/538914196.db2.gz CGQZUQHGAZDKON-LLVKDONJSA-N 0 0 247.342 1.836 10 70 BDIERN C[C@@H]1C[C@H]1NC(=O)c1cnc2c(c1)ncn2C ZINC000159785561 398192606 /nfs/dbraw/zinc/19/26/06/398192606.db2.gz VSBPVGMWTIHMRU-VXNVDRBHSA-N 0 0 230.271 1.107 10 70 BDIERN NC(=O)CN1CCC2(CCC2)c2c(F)cccc21 ZINC000216789123 342923010 /nfs/dbraw/zinc/92/30/10/342923010.db2.gz SLFYTFFIRBLWAP-UHFFFAOYSA-N 0 0 248.301 1.943 10 70 BDIERN CC(C)[C@H](O)CC(=O)NCc1cccc(O)c1 ZINC000160033668 323058172 /nfs/dbraw/zinc/05/81/72/323058172.db2.gz HGOXCECIKJVOOX-GFCCVEGCSA-N 0 0 237.299 1.415 10 70 BDIERN O=C(NCCO)[C@@H]1C[C@H]1C1CCCCC1 ZINC000159472542 345436863 /nfs/dbraw/zinc/43/68/63/345436863.db2.gz TUZLNQFTYBKCDK-WDEREUQCSA-N 0 0 211.305 1.311 10 70 BDIERN CCc1c[nH]nc1NC(=O)C(F)(F)F ZINC000159454388 350353097 /nfs/dbraw/zinc/35/30/97/350353097.db2.gz MLNZSFIVWVKIID-UHFFFAOYSA-N 0 0 207.155 1.473 10 70 BDIERN O=C1OC[C@H](CF)N1c1nc(F)ncc1F ZINC000218314846 351506769 /nfs/dbraw/zinc/50/67/69/351506769.db2.gz CQLZKVPSZCGDCX-BYPYZUCNSA-N 0 0 233.149 1.050 10 70 BDIERN CC[C@H](NC(=O)N[C@@H]1CCOC1)C(C)C ZINC000159393033 385965470 /nfs/dbraw/zinc/96/54/70/385965470.db2.gz UYQGJGYEILCMIC-ZJUUUORDSA-N 0 0 214.309 1.509 10 70 BDIERN CC(C)(C)[C@@H](O)CNC(=O)Cc1cccs1 ZINC000159624070 388024265 /nfs/dbraw/zinc/02/42/65/388024265.db2.gz QXWSYVPGMZTTRG-JTQLQIEISA-N 0 0 241.356 1.814 10 70 BDIERN O=C(/C=C\c1ccc(O)cc1)NCC1CC(O)C1 ZINC000217528322 592125010 /nfs/dbraw/zinc/12/50/10/592125010.db2.gz CXFVKAVKZFMVEU-UTCJRWHESA-N 0 0 247.294 1.293 10 70 BDIERN O=C(/C=C\c1ccccc1)NCC1CC(O)C1 ZINC000217541365 592125338 /nfs/dbraw/zinc/12/53/38/592125338.db2.gz SMTQIZGPLVUKDH-SREVYHEPSA-N 0 0 231.295 1.587 10 70 BDIERN C[C@]1(C2CC2)COC(=O)N1c1ccnc(F)n1 ZINC000218042782 344434982 /nfs/dbraw/zinc/43/49/82/344434982.db2.gz PVSLSDUYTGEAGL-LLVKDONJSA-N 0 0 237.234 1.741 10 70 BDIERN C[C@@H]1CC[C@@H]([C@@H](NN)c2ccsc2)O1 ZINC000217316764 346205636 /nfs/dbraw/zinc/20/56/36/346205636.db2.gz MDRVQRRYUDRRDD-JEZHCXPESA-N 0 0 212.318 1.820 10 70 BDIERN O=C(Cc1cncs1)c1cccnc1 ZINC000159687972 350973519 /nfs/dbraw/zinc/97/35/19/350973519.db2.gz FLWJKTLLURKARY-UHFFFAOYSA-N 0 0 204.254 1.964 10 70 BDIERN C[C@H](CNC1=[NH+]CCS1)N1CCCC1 ZINC000161432140 369060617 /nfs/dbraw/zinc/06/06/17/369060617.db2.gz WQRACWKQCORDJL-SECBINFHSA-N 0 0 213.350 1.163 10 70 BDIERN CC(C)(C)[C@@H](O)CNC(=O)[C@H]1CCCCO1 ZINC000160844009 387976683 /nfs/dbraw/zinc/97/66/83/387976683.db2.gz LRBMJTANPZCPTA-ZJUUUORDSA-N 0 0 229.320 1.079 10 70 BDIERN CCc1ncnc(NCCn2cc(C)cn2)c1F ZINC000159906590 172031925 /nfs/dbraw/zinc/03/19/25/172031925.db2.gz CSWZIKVKYFMFCV-UHFFFAOYSA-N 0 0 249.293 1.795 10 70 BDIERN COC[C@H](C)C(=O)Nc1cccc(F)n1 ZINC000160635711 174528842 /nfs/dbraw/zinc/52/88/42/174528842.db2.gz WIWLNQCRJSLEFD-ZETCQYMHSA-N 0 0 212.224 1.442 10 70 BDIERN CC(C)=Cc1nc(N(C)C2CC2)nn1C ZINC000218446718 344239061 /nfs/dbraw/zinc/23/90/61/344239061.db2.gz IWWMZECLXQZCNN-UHFFFAOYSA-N 0 0 206.293 1.837 10 70 BDIERN c1ccc([SiH]2CCCc3ccccc32)cc1 ZINC000255990220 349371637 /nfs/dbraw/zinc/37/16/37/349371637.db2.gz NMNUXTVNXFVOAA-UHFFFAOYSA-N 0 0 224.379 1.974 10 70 BDIERN Cc1[nH]c(=O)ccc1C(=O)N[C@@H]1C[C@@H]1C ZINC000161303664 180027557 /nfs/dbraw/zinc/02/75/57/180027557.db2.gz RJZGVSXUPJHUSC-IMTBSYHQSA-N 0 0 206.245 1.234 10 70 BDIERN NC(=S)Nc1nccc(C(F)(F)F)n1 ZINC000217022288 181319343 /nfs/dbraw/zinc/31/93/43/181319343.db2.gz QUNSAUALHINRMV-UHFFFAOYSA-N 0 0 222.195 1.151 10 70 BDIERN Cc1cc(N)n(CCO[C@@H]2CCCCO2)n1 ZINC000217660515 371992668 /nfs/dbraw/zinc/99/26/68/371992668.db2.gz VTSWBWLEJSHTAK-LLVKDONJSA-N 0 0 225.292 1.317 10 70 BDIERN CC(C)(C)[C@H](O)CNC(=O)Cc1cccs1 ZINC000159623980 388024221 /nfs/dbraw/zinc/02/42/21/388024221.db2.gz QXWSYVPGMZTTRG-SNVBAGLBSA-N 0 0 241.356 1.814 10 70 BDIERN CCn1ccnc1CS[C@@H](C)CO ZINC000160715088 388086164 /nfs/dbraw/zinc/08/61/64/388086164.db2.gz SBAJVZVYOXZNDJ-QMMMGPOBSA-N 0 0 200.307 1.517 10 70 BDIERN CCc1ncnc(N[C@H]2CCO[C@@H]2C)c1F ZINC000218088967 172033473 /nfs/dbraw/zinc/03/34/73/172033473.db2.gz URIDGBNRLXDULZ-APPZFPTMSA-N 0 0 225.267 1.767 10 70 BDIERN C[C@H]1CC[C@H](C(=O)NCC2(C3CC3)CC2)O1 ZINC000159640862 323041243 /nfs/dbraw/zinc/04/12/43/323041243.db2.gz CAAJPQZCHYJGIY-GXSJLCMTSA-N 0 0 223.316 1.860 10 70 BDIERN O=C(/C=C\c1ccccc1F)NCC1CC(O)C1 ZINC000217715880 592148436 /nfs/dbraw/zinc/14/84/36/592148436.db2.gz GTLFJJPVHNYHRI-WAYWQWQTSA-N 0 0 249.285 1.726 10 70 BDIERN