smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(OCC)c(F)c1 ZINC000159722177 186137285 /nfs/dbraw/zinc/13/72/85/186137285.db2.gz ZPDXDBBXNTZBDN-CYBMUJFWSA-N 0 2 323.368 2.357 20 70 DEIDLN CCN(CC)c1ccc(NC(=O)C2(O)CCSCC2)cn1 ZINC000159724913 186137403 /nfs/dbraw/zinc/13/74/03/186137403.db2.gz POTPJXAPYSZISM-UHFFFAOYSA-N 0 2 309.435 2.124 20 70 DEIDLN Cc1ccc(-c2nc(C(=O)N(CC(N)=O)CC(C)C)cs2)o1 ZINC000159719162 186137424 /nfs/dbraw/zinc/13/74/24/186137424.db2.gz GNDOPQLPMCEDJV-UHFFFAOYSA-N 0 2 321.402 2.295 20 70 DEIDLN Cc1n[nH]c(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1C ZINC000160491339 402348053 /nfs/dbraw/zinc/34/80/53/402348053.db2.gz ASZUQNCLJUKCNF-MRVPVSSYSA-N 0 2 307.375 2.151 20 70 DEIDLN Cc1[nH]nc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1C ZINC000160491339 402348057 /nfs/dbraw/zinc/34/80/57/402348057.db2.gz ASZUQNCLJUKCNF-MRVPVSSYSA-N 0 2 307.375 2.151 20 70 DEIDLN O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1ccc(F)cc1 ZINC000160262263 197396305 /nfs/dbraw/zinc/39/63/05/197396305.db2.gz JEFLXDBKUOYCTA-UHFFFAOYSA-N 0 2 323.271 2.385 20 70 DEIDLN C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161333578 539591073 /nfs/dbraw/zinc/59/10/73/539591073.db2.gz GUKAYHVTBNENLX-OAHLLOKOSA-N 0 2 316.449 2.041 20 70 DEIDLN COc1ccc(S(=O)(=O)Nc2nncs2)cc1Cl ZINC000160566399 402351157 /nfs/dbraw/zinc/35/11/57/402351157.db2.gz JYVWGFFZDCXNSE-UHFFFAOYSA-N 0 2 305.768 2.001 20 70 DEIDLN Cc1cc(NS(=O)(=O)c2ccc(F)c3ncccc23)nn1C ZINC000161508489 402389895 /nfs/dbraw/zinc/38/98/95/402389895.db2.gz JOXMOMQOHCGCAG-UHFFFAOYSA-N 0 2 320.349 2.217 20 70 DEIDLN Cc1n[nH]cc1S(=O)(=O)Nc1cc(F)ccc1OC(F)F ZINC000161117621 291672472 /nfs/dbraw/zinc/67/24/72/291672472.db2.gz QTLNWLLFBPLKLJ-UHFFFAOYSA-N 0 2 321.280 2.259 20 70 DEIDLN CCc1nnc(NS(=O)(=O)Cc2cccc(F)c2)s1 ZINC000160974037 402367890 /nfs/dbraw/zinc/36/78/90/402367890.db2.gz COJZBTASXHCWIP-UHFFFAOYSA-N 0 2 301.368 2.182 20 70 DEIDLN CCCOc1cc(F)ccc1NS(=O)(=O)c1cnn(C)c1 ZINC000161292181 402381033 /nfs/dbraw/zinc/38/10/33/402381033.db2.gz JYHPYWHMOCUBJE-UHFFFAOYSA-N 0 2 313.354 2.149 20 70 DEIDLN CC[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000160621225 402354408 /nfs/dbraw/zinc/35/44/08/402354408.db2.gz RLGRLAFUVAYZES-PSLIRLAXSA-N 0 2 305.403 2.379 20 70 DEIDLN O=C(NCCCO[C@H]1CCOC1)c1cc(F)cc(Cl)c1O ZINC000159379039 197349912 /nfs/dbraw/zinc/34/99/12/197349912.db2.gz VXAWZGSWWRJZNB-JTQLQIEISA-N 0 2 317.744 2.110 20 70 DEIDLN COc1cccnc1N(C)S(=O)(=O)c1ccc(F)cc1F ZINC000159566439 186127375 /nfs/dbraw/zinc/12/73/75/186127375.db2.gz IIYZEYYMKWGJDX-UHFFFAOYSA-N 0 2 314.313 2.194 20 70 DEIDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(C)cn1 ZINC000160908929 402365428 /nfs/dbraw/zinc/36/54/28/402365428.db2.gz QZYPKARIYFCQEX-UHFFFAOYSA-N 0 2 324.333 2.117 20 70 DEIDLN O=C(NCC1(CO)CCCC1)c1cc(F)c(F)c(O)c1F ZINC000160332645 402340870 /nfs/dbraw/zinc/34/08/70/402340870.db2.gz JVQNRDXGPHNPGX-UHFFFAOYSA-N 0 2 303.280 2.092 20 70 DEIDLN CCc1ccccc1N1CC(=O)C(C(=O)NCC[C@H](O)CC)=N1 ZINC000160871632 402363426 /nfs/dbraw/zinc/36/34/26/402363426.db2.gz LZTOZGCNSKTPHJ-CYBMUJFWSA-N 0 2 317.389 2.031 20 70 DEIDLN Cc1noc(C)c1CCS(=O)(=O)c1nc2ccccc2[nH]1 ZINC000159992590 402334771 /nfs/dbraw/zinc/33/47/71/402334771.db2.gz IEAHMRVVPCYJKQ-UHFFFAOYSA-N 0 2 305.359 2.184 20 70 DEIDLN CCCc1nnc(NS(=O)(=O)c2sccc2OC)s1 ZINC000159792246 521568340 /nfs/dbraw/zinc/56/83/40/521568340.db2.gz RNGQFVCQGXCOTB-UHFFFAOYSA-N 0 2 319.433 2.362 20 70 DEIDLN COc1ccsc1S(=O)(=O)Nc1ccc(N(C)C)nc1 ZINC000159598982 186130263 /nfs/dbraw/zinc/13/02/63/186130263.db2.gz WGJPNSCPVJBDMA-UHFFFAOYSA-N 0 2 313.404 2.019 20 70 DEIDLN CCC(=O)c1cccc(S(=O)(=O)Nc2[nH]nc(C)c2C)c1 ZINC000160481133 402347764 /nfs/dbraw/zinc/34/77/64/402347764.db2.gz ZTKKFOMKANOLHQ-UHFFFAOYSA-N 0 2 307.375 2.420 20 70 DEIDLN CCC(=O)c1cccc(S(=O)(=O)Nc2n[nH]c(C)c2C)c1 ZINC000160481133 402347766 /nfs/dbraw/zinc/34/77/66/402347766.db2.gz ZTKKFOMKANOLHQ-UHFFFAOYSA-N 0 2 307.375 2.420 20 70 DEIDLN CC[C@]1(C)C[C@@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000160621098 402354414 /nfs/dbraw/zinc/35/44/14/402354414.db2.gz RLGRLAFUVAYZES-RFAUZJTJSA-N 0 2 305.403 2.379 20 70 DEIDLN CC(C)C1CCC(NC(=O)NCC2(CO)CCOCC2)CC1 ZINC000159718886 186137550 /nfs/dbraw/zinc/13/75/50/186137550.db2.gz PIBGREDWLNKBEO-UHFFFAOYSA-N 0 2 312.454 2.290 20 70 DEIDLN COC(=O)C(C)(C)CNC(=O)c1cc(F)cc(Cl)c1O ZINC000159451464 197354118 /nfs/dbraw/zinc/35/41/18/197354118.db2.gz HXSOJTCPTMKOBU-UHFFFAOYSA-N 0 2 303.717 2.114 20 70 DEIDLN COc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(C)n1 ZINC000160663826 402355949 /nfs/dbraw/zinc/35/59/49/402355949.db2.gz MUEVFNNDQYRVBV-UHFFFAOYSA-N 0 2 314.313 2.478 20 70 DEIDLN CCCCn1ncc(NS(=O)(=O)c2c(C)noc2C)c1C ZINC000160165610 402337641 /nfs/dbraw/zinc/33/76/41/402337641.db2.gz KTHLFPLCNPCQIX-UHFFFAOYSA-N 0 2 312.395 2.397 20 70 DEIDLN C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161333446 539591430 /nfs/dbraw/zinc/59/14/30/539591430.db2.gz GUKAYHVTBNENLX-HNNXBMFYSA-N 0 2 316.449 2.041 20 70 DEIDLN CCCNC(=O)CN(CCC)C(=O)c1cnn(CC(C)C)c1C ZINC000159566240 186127337 /nfs/dbraw/zinc/12/73/37/186127337.db2.gz ZRNPGUVRODEREJ-UHFFFAOYSA-N 0 2 322.453 2.226 20 70 DEIDLN COc1cccc(/C=C/C(=O)NS(=O)(=O)c2ccsc2)c1 ZINC000159821377 291659577 /nfs/dbraw/zinc/65/95/77/291659577.db2.gz MWSRIFNMLZMWDK-AATRIKPKSA-N 0 2 323.395 2.275 20 70 DEIDLN COc1ccc(Cl)c(S(=O)(=O)Nc2nncs2)c1 ZINC000160559410 402351321 /nfs/dbraw/zinc/35/13/21/402351321.db2.gz YVSDDKBFNOGUHX-UHFFFAOYSA-N 0 2 305.768 2.001 20 70 DEIDLN Cc1noc(C)c1S(=O)(=O)Nc1cccc(OCCF)c1 ZINC000161211883 291673377 /nfs/dbraw/zinc/67/33/77/291673377.db2.gz KXSQTHPOEIFDSO-UHFFFAOYSA-N 0 2 314.338 2.441 20 70 DEIDLN COc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2C)c(C)c1C ZINC000160479984 402347653 /nfs/dbraw/zinc/34/76/53/402347653.db2.gz IUWAFGVVLSGJLJ-UHFFFAOYSA-N 0 2 309.391 2.453 20 70 DEIDLN COc1ccc(S(=O)(=O)Nc2n[nH]c(C)c2C)c(C)c1C ZINC000160479984 402347656 /nfs/dbraw/zinc/34/76/56/402347656.db2.gz IUWAFGVVLSGJLJ-UHFFFAOYSA-N 0 2 309.391 2.453 20 70 DEIDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ncccc1C ZINC000160907851 402365179 /nfs/dbraw/zinc/36/51/79/402365179.db2.gz XFVDOSIBLYMTLL-UHFFFAOYSA-N 0 2 324.333 2.117 20 70 DEIDLN Cc1n[nH]c(NS(=O)(=O)c2cc(F)c(C)cc2F)c1C ZINC000160474284 402346857 /nfs/dbraw/zinc/34/68/57/402346857.db2.gz DHJYJNLYKQIGMP-UHFFFAOYSA-N 0 2 301.318 2.414 20 70 DEIDLN COC(=O)C(C)(C)CNC(=O)c1cnn(CC(C)C)c1C1CC1 ZINC000159725374 186137391 /nfs/dbraw/zinc/13/73/91/186137391.db2.gz ZTIPPZPHGZEYKW-UHFFFAOYSA-N 0 2 321.421 2.346 20 70 DEIDLN O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1ccccc1 ZINC000160262559 197396371 /nfs/dbraw/zinc/39/63/71/197396371.db2.gz WIMBCYKZICVJKR-UHFFFAOYSA-N 0 2 305.281 2.246 20 70 DEIDLN COc1ccccc1/C=C/C(=O)NS(=O)(=O)c1ccsc1 ZINC000159726996 291657782 /nfs/dbraw/zinc/65/77/82/291657782.db2.gz SNAFBRUUVNTBMD-VOTSOKGWSA-N 0 2 323.395 2.275 20 70 DEIDLN CC[C@]1(C)C[C@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000160621326 402354494 /nfs/dbraw/zinc/35/44/94/402354494.db2.gz RLGRLAFUVAYZES-BJOHPYRUSA-N 0 2 305.403 2.379 20 70 DEIDLN CC(=O)Nc1cc(S(=O)(=O)Nc2[nH]nc(C)c2C)ccc1C ZINC000160493095 402348225 /nfs/dbraw/zinc/34/82/25/402348225.db2.gz SJLSDYFWIDDPCU-UHFFFAOYSA-N 0 2 322.390 2.094 20 70 DEIDLN CC(=O)Nc1cc(S(=O)(=O)Nc2n[nH]c(C)c2C)ccc1C ZINC000160493095 402348227 /nfs/dbraw/zinc/34/82/27/402348227.db2.gz SJLSDYFWIDDPCU-UHFFFAOYSA-N 0 2 322.390 2.094 20 70 DEIDLN O=C(Nn1cnc2ccccc2c1=O)c1noc2c1CCCCC2 ZINC000160638804 402355100 /nfs/dbraw/zinc/35/51/00/402355100.db2.gz SEQJBKVQZZXSPV-UHFFFAOYSA-N 0 2 324.340 2.037 20 70 DEIDLN COc1cc(C(=O)NC[C@@H](O)C(C)C)ccc1OC(F)F ZINC000159724315 186137479 /nfs/dbraw/zinc/13/74/79/186137479.db2.gz PAPJPSNOMSCRGC-SNVBAGLBSA-N 0 2 303.305 2.043 20 70 DEIDLN C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161320235 539591325 /nfs/dbraw/zinc/59/13/25/539591325.db2.gz UHULVBAXCGAUHD-MRXNPFEDSA-N 0 2 324.428 2.255 20 70 DEIDLN CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1c(C)noc1C ZINC000159717690 186137339 /nfs/dbraw/zinc/13/73/39/186137339.db2.gz YKUOEOVYKKYPOD-ZDUSSCGKSA-N 0 2 309.391 2.458 20 70 DEIDLN O=C(N[C@@H](c1cccc(Cl)c1)C1CCCC1)c1nc(=O)[nH][nH]1 ZINC000159831858 402331620 /nfs/dbraw/zinc/33/16/20/402331620.db2.gz GJMNTJCTQIMLPM-GFCCVEGCSA-N 0 2 320.780 2.413 20 70 DEIDLN Cc1ncc(/C=C/C(=O)NS(=O)(=O)c2ccsc2)s1 ZINC000159850232 402332483 /nfs/dbraw/zinc/33/24/83/402332483.db2.gz HCSMVGCJFDJLCF-NSCUHMNNSA-N 0 2 314.413 2.031 20 70 DEIDLN Cc1cccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1F ZINC000159619061 186131311 /nfs/dbraw/zinc/13/13/11/186131311.db2.gz VUINHSRCSWRXIF-UHFFFAOYSA-N 0 2 319.336 2.034 20 70 DEIDLN O=C(CC1(O)CCCC1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000161333612 402383372 /nfs/dbraw/zinc/38/33/72/402383372.db2.gz PJMOKBXKJRUDIC-UHFFFAOYSA-N 0 2 304.325 2.245 20 70 DEIDLN CCCOc1cc(F)ccc1NS(=O)(=O)c1c[nH]nc1C ZINC000161299507 520312313 /nfs/dbraw/zinc/31/23/13/520312313.db2.gz IINOJJIAKSWUIB-UHFFFAOYSA-N 0 2 313.354 2.447 20 70 DEIDLN CCOC(=O)C[C@H](C)NC(=O)c1c(C)onc1-c1ccccn1 ZINC000159562799 186127341 /nfs/dbraw/zinc/12/73/41/186127341.db2.gz HPDKJNHCYWIJBR-JTQLQIEISA-N 0 2 317.345 2.117 20 70 DEIDLN COC(=O)CCCS(=O)(=O)Oc1ccccc1C(C)C ZINC000217193292 201511772 /nfs/dbraw/zinc/51/17/72/201511772.db2.gz HNQIHDSPKZZCLM-UHFFFAOYSA-N 0 2 300.376 2.472 20 70 DEIDLN CSCCCCC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000159561814 186127376 /nfs/dbraw/zinc/12/73/76/186127376.db2.gz WDUSOQWLQWJTLE-UHFFFAOYSA-N 0 2 300.468 2.237 20 70 DEIDLN Cc1n[nH]c(NS(=O)(=O)c2cc(F)c(F)c(F)c2)c1C ZINC000160471327 402346904 /nfs/dbraw/zinc/34/69/04/402346904.db2.gz YHINWNBUMUNRAA-UHFFFAOYSA-N 0 2 305.281 2.245 20 70 DEIDLN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@@H](C)C2)o1 ZINC000159716882 186137222 /nfs/dbraw/zinc/13/72/22/186137222.db2.gz IQDRLEXNZDDKRD-GHMZBOCLSA-N 0 2 315.391 2.123 20 70 DEIDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(C)nc1 ZINC000159702020 539583645 /nfs/dbraw/zinc/58/36/45/539583645.db2.gz OQNDAEIHNRIWBY-UHFFFAOYSA-N 0 2 308.407 2.049 20 70 DEIDLN CCc1noc(C)c1CS(=O)(=O)c1nc2ccccc2[nH]1 ZINC000160345952 402341430 /nfs/dbraw/zinc/34/14/30/402341430.db2.gz CLEHFDZYAOBRFJ-UHFFFAOYSA-N 0 2 305.359 2.396 20 70 DEIDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@H]1C=CCCC1 ZINC000160452301 402345921 /nfs/dbraw/zinc/34/59/21/402345921.db2.gz WPZCAOXPCMCNBL-JTQLQIEISA-N 0 2 318.402 2.235 20 70 DEIDLN CC(C)CCNC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000161126124 402374196 /nfs/dbraw/zinc/37/41/96/402374196.db2.gz VQWFYXQRHMOTNZ-UHFFFAOYSA-N 0 2 308.407 2.172 20 70 DEIDLN C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161320123 539591346 /nfs/dbraw/zinc/59/13/46/539591346.db2.gz UHULVBAXCGAUHD-INIZCTEOSA-N 0 2 324.428 2.255 20 70 DEIDLN CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1c(C)noc1C ZINC000159717834 186137174 /nfs/dbraw/zinc/13/71/74/186137174.db2.gz YKUOEOVYKKYPOD-CYBMUJFWSA-N 0 2 309.391 2.458 20 70 DEIDLN CCOc1ccc(S(=O)(=O)NC[C@H](C)CO)c2ccccc12 ZINC000159720806 186137589 /nfs/dbraw/zinc/13/75/89/186137589.db2.gz HAISRIVJBMOGKV-LBPRGKRZSA-N 0 2 323.414 2.145 20 70 DEIDLN COc1cc(C)c(S(=O)(=O)Nc2[nH]nc(C)c2C)cc1C ZINC000160473178 402346975 /nfs/dbraw/zinc/34/69/75/402346975.db2.gz RCXPFXUXEWLMAH-UHFFFAOYSA-N 0 2 309.391 2.453 20 70 DEIDLN COc1cc(C)c(S(=O)(=O)Nc2n[nH]c(C)c2C)cc1C ZINC000160473178 402346977 /nfs/dbraw/zinc/34/69/77/402346977.db2.gz RCXPFXUXEWLMAH-UHFFFAOYSA-N 0 2 309.391 2.453 20 70 DEIDLN CCCCc1cc(NS(=O)(=O)c2cnn(C(C)C)c2)[nH]n1 ZINC000159958027 521262708 /nfs/dbraw/zinc/26/27/08/521262708.db2.gz IUWNCSAYSHBENY-UHFFFAOYSA-N 0 2 311.411 2.331 20 70 DEIDLN O=C(NCCCO[C@@H]1CCOC1)c1cc(F)cc(Cl)c1O ZINC000159378923 527688887 /nfs/dbraw/zinc/68/88/87/527688887.db2.gz VXAWZGSWWRJZNB-SNVBAGLBSA-N 0 2 317.744 2.110 20 70 DEIDLN Cc1cc(C)nc(N(C)Cc2nc(=O)c3sccc3[nH]2)n1 ZINC000160624743 402354303 /nfs/dbraw/zinc/35/43/03/402354303.db2.gz QTCAUJPBODHXES-UHFFFAOYSA-N 0 2 301.375 2.028 20 70 DEIDLN COc1ccc(NS(=O)(=O)c2cn(CC(C)C)cn2)c(C)n1 ZINC000160674246 402356581 /nfs/dbraw/zinc/35/65/81/402356581.db2.gz LOKGUMZNJGGYGR-UHFFFAOYSA-N 0 2 324.406 2.052 20 70 DEIDLN CC(C)n1cnc(S(=O)(=O)Nc2nnc(C(F)F)s2)c1 ZINC000160476549 402346888 /nfs/dbraw/zinc/34/68/88/402346888.db2.gz YQIIOTSHUODMRM-UHFFFAOYSA-N 0 2 323.350 2.054 20 70 DEIDLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(OCCF)c1 ZINC000161195205 291673316 /nfs/dbraw/zinc/67/33/16/291673316.db2.gz ZDGZNPZTFZWBMC-UHFFFAOYSA-N 0 2 313.354 2.176 20 70 DEIDLN CC[C@@]1(C)C[C@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000160621440 402354239 /nfs/dbraw/zinc/35/42/39/402354239.db2.gz RLGRLAFUVAYZES-VFZGTOFNSA-N 0 2 305.403 2.379 20 70 DEIDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cnccc1C ZINC000161015161 402369064 /nfs/dbraw/zinc/36/90/64/402369064.db2.gz VUWFBKICVYTNRE-UHFFFAOYSA-N 0 2 324.333 2.117 20 70 DEIDLN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C)C[C@@H](C)C2)cc1 ZINC000159722750 186137538 /nfs/dbraw/zinc/13/75/38/186137538.db2.gz LFVJPBUIXZTZIJ-QWHCGFSZSA-N 0 2 324.446 2.103 20 70 DEIDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(Cl)c1O ZINC000160391575 402343473 /nfs/dbraw/zinc/34/34/73/402343473.db2.gz ZCXOIBVXGABDSJ-UHFFFAOYSA-N 0 2 315.782 2.197 20 70 DEIDLN Cc1n[nH]c(NS(=O)(=O)c2ccccc2OC(F)F)c1C ZINC000160479138 402347105 /nfs/dbraw/zinc/34/71/05/402347105.db2.gz DWHGBSMDNUXVRC-UHFFFAOYSA-N 0 2 317.317 2.429 20 70 DEIDLN Cc1n[nH]c(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1C ZINC000160491200 402348261 /nfs/dbraw/zinc/34/82/61/402348261.db2.gz ASZUQNCLJUKCNF-QMMMGPOBSA-N 0 2 307.375 2.151 20 70 DEIDLN Cc1[nH]nc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1C ZINC000160491200 402348264 /nfs/dbraw/zinc/34/82/64/402348264.db2.gz ASZUQNCLJUKCNF-QMMMGPOBSA-N 0 2 307.375 2.151 20 70 DEIDLN Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cccnc3)c2C)o1 ZINC000160971993 402367875 /nfs/dbraw/zinc/36/78/75/402367875.db2.gz XHLWAFHJFDHPCC-UHFFFAOYSA-N 0 2 318.358 2.482 20 70 DEIDLN COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C)C[C@@H](C)C2)o1 ZINC000159717037 186137300 /nfs/dbraw/zinc/13/73/00/186137300.db2.gz IQDRLEXNZDDKRD-WDEREUQCSA-N 0 2 315.391 2.123 20 70 DEIDLN Cc1n[nH]c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1C ZINC000160474683 402346822 /nfs/dbraw/zinc/34/68/22/402346822.db2.gz ZTOQVDUUUZOHBX-UHFFFAOYSA-N 0 2 317.374 2.013 20 70 DEIDLN COC(=O)CCCS(=O)(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000159721561 186137616 /nfs/dbraw/zinc/13/76/16/186137616.db2.gz HPHYLKWYJJLNBO-UHFFFAOYSA-N 0 2 319.467 2.464 20 70 DEIDLN CCOC(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(C)c2C)cc1 ZINC000160494764 402348189 /nfs/dbraw/zinc/34/81/89/402348189.db2.gz WOBRLVWSQHWUFJ-UHFFFAOYSA-N 0 2 323.374 2.004 20 70 DEIDLN CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000161392814 402385889 /nfs/dbraw/zinc/38/58/89/402385889.db2.gz DZXSNTNWTKDBQY-YOEHRIQHSA-N 0 2 312.417 2.331 20 70 DEIDLN Cc1nc(N(C)Cc2nc(=O)c3sccc3[n-]2)c(C)c(C)[nH+]1 ZINC000160603071 402352957 /nfs/dbraw/zinc/35/29/57/402352957.db2.gz FEWLXJXJHGUUIE-UHFFFAOYSA-N 0 2 315.402 2.336 20 70 DEIDLN CCN(CC)C(=O)[C@@H](C)ONC(=O)C(C)(C)c1ccccc1 ZINC000160799071 520523480 /nfs/dbraw/zinc/52/34/80/520523480.db2.gz BIEUUYCAMSFTLH-CYBMUJFWSA-N 0 2 306.406 2.269 20 70 DEIDLN Cc1noc(C)c1CSCC(=O)NOCc1cccnc1 ZINC000160777348 526526838 /nfs/dbraw/zinc/52/68/38/526526838.db2.gz FQWDOHZWHSYRQC-UHFFFAOYSA-N 0 2 307.375 2.168 20 70 DEIDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(C)n1 ZINC000160908682 402365299 /nfs/dbraw/zinc/36/52/99/402365299.db2.gz QXXCECBJFVSNDV-UHFFFAOYSA-N 0 2 324.333 2.117 20 70 DEIDLN CCN(CC)C(=O)[C@H](C)ONC(=O)C(C)(C)c1ccccc1 ZINC000160799211 520534834 /nfs/dbraw/zinc/53/48/34/520534834.db2.gz BIEUUYCAMSFTLH-ZDUSSCGKSA-N 0 2 306.406 2.269 20 70 DEIDLN CCOc1ccc(S(=O)(=O)NC[C@@H](C)CO)c2ccccc12 ZINC000159720695 186137610 /nfs/dbraw/zinc/13/76/10/186137610.db2.gz HAISRIVJBMOGKV-GFCCVEGCSA-N 0 2 323.414 2.145 20 70 DEIDLN CC(C)c1cc(NS(=O)(=O)c2cccc3c2OCCO3)[nH]n1 ZINC000160652462 402355486 /nfs/dbraw/zinc/35/54/86/402355486.db2.gz NOMZLZZWXMJPGQ-UHFFFAOYSA-N 0 2 323.374 2.105 20 70 DEIDLN CC(C)N1CC[C@@H](ONC(=O)C(C)(C)c2ccccc2)C1=O ZINC000160808535 519687986 /nfs/dbraw/zinc/68/79/86/519687986.db2.gz JYLLTWXOWXQUCE-CQSZACIVSA-N 0 2 304.390 2.021 20 70 DEIDLN O=C(N[C@H](c1cccc(Cl)c1)C1CCCC1)c1nc(=O)[nH][nH]1 ZINC000159832013 402331665 /nfs/dbraw/zinc/33/16/65/402331665.db2.gz GJMNTJCTQIMLPM-LBPRGKRZSA-N 0 2 320.780 2.413 20 70 DEIDLN COc1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)cc1 ZINC000160482503 402347679 /nfs/dbraw/zinc/34/76/79/402347679.db2.gz KDZKAYSKMBZGGS-UHFFFAOYSA-N 0 2 321.330 2.285 20 70 DEIDLN Cc1nc(Cl)cc(N(C)Cc2nc(=O)c3sccc3[nH]2)n1 ZINC000160610706 402353959 /nfs/dbraw/zinc/35/39/59/402353959.db2.gz UEFGGLMSBYUEGH-UHFFFAOYSA-N 0 2 321.793 2.373 20 70 DEIDLN CCn1cc(S(=O)(=O)Nc2cccc(OCCF)c2)cn1 ZINC000161210627 402378005 /nfs/dbraw/zinc/37/80/05/402378005.db2.gz HTUOCMLJCLVWRW-UHFFFAOYSA-N 0 2 313.354 2.052 20 70 DEIDLN COc1cc(C(=O)NC[C@H](O)C(C)C)ccc1OC(F)F ZINC000159724420 186137354 /nfs/dbraw/zinc/13/73/54/186137354.db2.gz PAPJPSNOMSCRGC-JTQLQIEISA-N 0 2 303.305 2.043 20 70 DEIDLN CCc1ccccc1N1CC(=O)C(C(=O)NCC[C@@H](O)CC)=N1 ZINC000160871753 402363369 /nfs/dbraw/zinc/36/33/69/402363369.db2.gz LZTOZGCNSKTPHJ-ZDUSSCGKSA-N 0 2 317.389 2.031 20 70 DEIDLN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000161392666 402385869 /nfs/dbraw/zinc/38/58/69/402385869.db2.gz DZXSNTNWTKDBQY-PBHICJAKSA-N 0 2 312.417 2.331 20 70 DEIDLN Cc1c(I)cccc1C(=O)N1CCC1 ZINC000159565642 186127296 /nfs/dbraw/zinc/12/72/96/186127296.db2.gz VHSGCPDZGKMWHU-UHFFFAOYSA-N 0 2 301.127 2.446 20 70 DEIDLN COc1c(C)cc(S(=O)(=O)Nc2[nH]nc(C)c2C)cc1C ZINC000160478410 402347068 /nfs/dbraw/zinc/34/70/68/402347068.db2.gz YBLLXZSQLJVXPD-UHFFFAOYSA-N 0 2 309.391 2.453 20 70 DEIDLN COc1c(C)cc(S(=O)(=O)Nc2n[nH]c(C)c2C)cc1C ZINC000160478410 402347070 /nfs/dbraw/zinc/34/70/70/402347070.db2.gz YBLLXZSQLJVXPD-UHFFFAOYSA-N 0 2 309.391 2.453 20 70 DEIDLN CCc1nsc(N(C)Cc2nc(=O)c3sccc3[nH]2)n1 ZINC000160632395 402354205 /nfs/dbraw/zinc/35/42/05/402354205.db2.gz ZWBNMXNLMOKLNZ-UHFFFAOYSA-N 0 2 307.404 2.035 20 70 DEIDLN CCCCn1ncc(NS(=O)(=O)c2cnn(CC)c2)c1C ZINC000160195790 291663894 /nfs/dbraw/zinc/66/38/94/291663894.db2.gz FSIHYIPPQBLORD-UHFFFAOYSA-N 0 2 311.411 2.009 20 70 DEIDLN O=S(=O)(Cc1cccc(F)c1)Nc1nnc(C2CC2)s1 ZINC000161005225 402368976 /nfs/dbraw/zinc/36/89/76/402368976.db2.gz ITMYTXAGEYFIOD-UHFFFAOYSA-N 0 2 313.379 2.497 20 70 DEIDLN COc1cc(NS(=O)(=O)c2cnc(Cl)nc2)ccc1F ZINC000160240193 197394908 /nfs/dbraw/zinc/39/49/08/197394908.db2.gz FNJFHURIXUFPGL-UHFFFAOYSA-N 0 2 317.729 2.079 20 70 DEIDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nc(C2CC2)ns1 ZINC000160632835 402354610 /nfs/dbraw/zinc/35/46/10/402354610.db2.gz YNRSOVIPVQRNCX-UHFFFAOYSA-N 0 2 319.415 2.350 20 70 DEIDLN COc1ccsc1S(=O)(=O)Nc1ccc(OC)nc1C ZINC000159890546 197370811 /nfs/dbraw/zinc/37/08/11/197370811.db2.gz VPZGXRRGBSGQKJ-UHFFFAOYSA-N 0 2 314.388 2.270 20 70 DEIDLN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@@H](C)C2)cc1 ZINC000159722621 186137351 /nfs/dbraw/zinc/13/73/51/186137351.db2.gz LFVJPBUIXZTZIJ-CHWSQXEVSA-N 0 2 324.446 2.103 20 70 DEIDLN Cc1cc(S(=O)(=O)Nc2nncs2)ccc1OC(C)C ZINC000160591163 402352339 /nfs/dbraw/zinc/35/23/39/402352339.db2.gz SSFPZFXWBFHECC-UHFFFAOYSA-N 0 2 313.404 2.435 20 70 DEIDLN COc1ccc(NS(=O)(=O)c2c(F)cccc2F)c(C)n1 ZINC000160665265 402355961 /nfs/dbraw/zinc/35/59/61/402355961.db2.gz PWZWFIMORUMFKO-UHFFFAOYSA-N 0 2 314.313 2.478 20 70 DEIDLN CC(C)n1nccc1C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000161397495 539591055 /nfs/dbraw/zinc/59/10/55/539591055.db2.gz KEWYPXOGZMITAB-UHFFFAOYSA-N 0 2 313.317 2.060 20 70 DEIDLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC000160402282 402343980 /nfs/dbraw/zinc/34/39/80/402343980.db2.gz GABLVRVZAAZBMT-UHFFFAOYSA-N 0 2 301.755 2.186 20 70 DEIDLN COc1ccc(NS(=O)(=O)c2cc(F)ccc2F)c(C)n1 ZINC000160660959 402356260 /nfs/dbraw/zinc/35/62/60/402356260.db2.gz WLWWKQZPWCSKEH-UHFFFAOYSA-N 0 2 314.313 2.478 20 70 DEIDLN COc1ccsc1S(=O)(=O)Nc1nnc(C2CC2)s1 ZINC000159790119 355962021 /nfs/dbraw/zinc/96/20/21/355962021.db2.gz LENWVFPSAMJANV-UHFFFAOYSA-N 0 2 317.417 2.286 20 70 DEIDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@@H]1C=CCCC1 ZINC000160452425 402346390 /nfs/dbraw/zinc/34/63/90/402346390.db2.gz WPZCAOXPCMCNBL-SNVBAGLBSA-N 0 2 318.402 2.235 20 70 DEIDLN O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)C(F)(F)F ZINC000216787459 539726299 /nfs/dbraw/zinc/72/62/99/539726299.db2.gz BMISLCUMEYPUTB-UHFFFAOYSA-N 0 2 314.185 2.366 20 70 DEIDLN COc1ccc(N2CC(=O)C(C(=O)N3CCCCC3)=N2)cc1 ZINC000159995677 197378535 /nfs/dbraw/zinc/37/85/35/197378535.db2.gz UWXDAKJFAQQQPO-UHFFFAOYSA-N 0 2 301.346 2.213 20 70 DEIDLN COc1ccsc1S(=O)(=O)Nc1ccc2n[nH]cc2c1 ZINC000159723745 186137541 /nfs/dbraw/zinc/13/75/41/186137541.db2.gz QYRACPFKUYJOGW-UHFFFAOYSA-N 0 2 309.372 2.434 20 70 DEIDLN O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1cccc(F)c1 ZINC000160247365 197395450 /nfs/dbraw/zinc/39/54/50/197395450.db2.gz ZJUWYCQTTZGNQT-UHFFFAOYSA-N 0 2 323.271 2.385 20 70 DEIDLN O=C(CCc1nnc(C2CCCC2)o1)Nc1ncccc1O ZINC000159722203 186137311 /nfs/dbraw/zinc/13/73/11/186137311.db2.gz CDJWRAITMSEYBR-UHFFFAOYSA-N 0 2 302.334 2.399 20 70 DEIDLN CC(C)c1cc(NS(=O)(=O)c2ccc(Cl)nc2)[nH]n1 ZINC000160657731 402355435 /nfs/dbraw/zinc/35/54/35/402355435.db2.gz BESRBIHWXIYRFE-UHFFFAOYSA-N 0 2 300.771 2.382 20 70 DEIDLN COc1ccc(NS(=O)(=O)c2ccccc2OC)c(C)n1 ZINC000160683388 402356826 /nfs/dbraw/zinc/35/68/26/402356826.db2.gz CAVCDGVEXPHLDK-UHFFFAOYSA-N 0 2 308.359 2.208 20 70 DEIDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(C)ccn1 ZINC000160901027 402364548 /nfs/dbraw/zinc/36/45/48/402364548.db2.gz CUHQKGWUSOLPDM-UHFFFAOYSA-N 0 2 324.333 2.117 20 70 DEIDLN CC(C)N1CC[C@H](ONC(=O)C(C)(C)c2ccccc2)C1=O ZINC000160808398 519690615 /nfs/dbraw/zinc/69/06/15/519690615.db2.gz JYLLTWXOWXQUCE-AWEZNQCLSA-N 0 2 304.390 2.021 20 70 DEIDLN